USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 803 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 41 TYR OH : rot 85:sc= 0.171 USER MOD Set 1.2: A 63 ASN : amide:sc= -0.249 X(o=-0.078,f=-0.36) USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.0832 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 2:sc= 0.412 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 40:sc= -3.83! USER MOD Single : A 10 THR OG1 : rot 125:sc= 0.916 USER MOD Single : A 14 MET CE :methyl -110:sc= -0.126 (180deg=-1.52) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN :FLIP amide:sc= -2.7! C(o=-5.6!,f=-2.7!) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0415 USER MOD Single : A 20 THR OG1 : rot 160:sc= -1.25 USER MOD Single : A 21 MET CE :methyl 173:sc= -1.69 (180deg=-2.13) USER MOD Single : A 23 SER OG : rot 81:sc= 0.365 USER MOD Single : A 25 THR OG1 : rot -170:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.0083) USER MOD Single : A 35 ASN :FLIP amide:sc= -0.461 F(o=-1.4!,f=-0.46) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.345 USER MOD Single : A 46 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= -0.0332 X(o=-0.033,f=0) USER MOD Single : A 51 ASN :FLIP amide:sc= -0.178 F(o=-1.3,f=-0.18) USER MOD Single : A 54 ASN : amide:sc= -0.117 K(o=-0.12,f=-1.7!) USER MOD Single : A 55 SER OG : rot -34:sc= -2.51 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -132:sc= -0.605 (180deg=-1.8) USER MOD Single : A 60 SER OG : rot -114:sc= 0.0128 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 160:sc= -1.13! USER MOD Single : A 64 THR OG1 : rot 54:sc= 0.135 USER MOD Single : A 74 MET CE :methyl -158:sc= -0.777 (180deg=-1.54) USER MOD Single : A 76 TYR OH : rot 180:sc= 0.607 USER MOD Single : A 79 GLN :FLIP amide:sc= -0.296 F(o=-0.99,f=-0.3) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0509 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 100:sc= -0.363 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 MET CE :methyl -122:sc= -1.8 (180deg=-3.46!) USER MOD Single : A 96 CYS SG : rot 29:sc= 0.081 USER MOD Single : A 98 GLN : amide:sc= -0.194 X(o=-0.19,f=0) USER MOD Single : A 99 THR OG1 : rot -147:sc= 0.43 USER MOD Single : A 101 THR OG1 : rot 20:sc= 1.14 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.276 -32.466 1.983 1.00 0.00 N ATOM 2 CA GLY A 1 -1.861 -32.553 2.291 1.00 0.00 C ATOM 3 C GLY A 1 -1.323 -31.279 2.911 1.00 0.00 C ATOM 4 O GLY A 1 -2.089 -30.398 3.301 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.767 -33.297 2.370 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.671 -31.602 2.407 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.406 -32.436 0.952 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.692 -33.385 2.974 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.306 -32.772 1.378 1.00 0.00 H new ATOM 8 N SER A 2 0.000 -31.181 3.004 1.00 0.00 N ATOM 9 CA SER A 2 0.640 -30.007 3.587 1.00 0.00 C ATOM 10 C SER A 2 0.894 -28.943 2.523 1.00 0.00 C ATOM 11 O SER A 2 1.956 -28.322 2.492 1.00 0.00 O ATOM 12 CB SER A 2 1.958 -30.399 4.257 1.00 0.00 C ATOM 13 OG SER A 2 2.917 -30.807 3.297 1.00 0.00 O ATOM 0 H SER A 2 0.649 -31.900 2.683 1.00 0.00 H new ATOM 0 HA SER A 2 -0.032 -29.592 4.338 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.346 -29.554 4.826 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.782 -31.208 4.966 1.00 0.00 H new ATOM 0 HG SER A 2 3.751 -31.051 3.751 1.00 0.00 H new ATOM 19 N SER A 3 -0.090 -28.739 1.653 1.00 0.00 N ATOM 20 CA SER A 3 0.027 -27.753 0.585 1.00 0.00 C ATOM 21 C SER A 3 -1.349 -27.272 0.136 1.00 0.00 C ATOM 22 O SER A 3 -2.274 -28.067 -0.028 1.00 0.00 O ATOM 23 CB SER A 3 0.786 -28.346 -0.604 1.00 0.00 C ATOM 24 OG SER A 3 2.126 -28.646 -0.256 1.00 0.00 O ATOM 0 H SER A 3 -0.977 -29.243 1.667 1.00 0.00 H new ATOM 0 HA SER A 3 0.582 -26.899 0.972 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.284 -29.252 -0.945 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.772 -27.642 -1.436 1.00 0.00 H new ATOM 0 HG SER A 3 2.274 -28.435 0.689 1.00 0.00 H new ATOM 30 N GLY A 4 -1.477 -25.963 -0.061 1.00 0.00 N ATOM 31 CA GLY A 4 -2.743 -25.398 -0.489 1.00 0.00 C ATOM 32 C GLY A 4 -2.724 -23.882 -0.511 1.00 0.00 C ATOM 33 O GLY A 4 -3.528 -23.235 0.158 1.00 0.00 O ATOM 0 H GLY A 4 -0.727 -25.284 0.068 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.985 -25.770 -1.485 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.534 -25.739 0.179 1.00 0.00 H new ATOM 37 N SER A 5 -1.801 -23.315 -1.281 1.00 0.00 N ATOM 38 CA SER A 5 -1.676 -21.866 -1.383 1.00 0.00 C ATOM 39 C SER A 5 -1.764 -21.414 -2.838 1.00 0.00 C ATOM 40 O SER A 5 -0.930 -21.781 -3.665 1.00 0.00 O ATOM 41 CB SER A 5 -0.351 -21.403 -0.773 1.00 0.00 C ATOM 42 OG SER A 5 -0.275 -19.988 -0.732 1.00 0.00 O ATOM 0 H SER A 5 -1.129 -23.837 -1.843 1.00 0.00 H new ATOM 0 HA SER A 5 -2.500 -21.415 -0.830 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.251 -21.805 0.235 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.480 -21.798 -1.358 1.00 0.00 H new ATOM 0 HG SER A 5 0.580 -19.718 -0.337 1.00 0.00 H new ATOM 48 N SER A 6 -2.781 -20.614 -3.141 1.00 0.00 N ATOM 49 CA SER A 6 -2.982 -20.114 -4.496 1.00 0.00 C ATOM 50 C SER A 6 -2.607 -18.639 -4.592 1.00 0.00 C ATOM 51 O SER A 6 -3.286 -17.776 -4.037 1.00 0.00 O ATOM 52 CB SER A 6 -4.438 -20.311 -4.924 1.00 0.00 C ATOM 53 OG SER A 6 -4.602 -20.054 -6.308 1.00 0.00 O ATOM 0 H SER A 6 -3.478 -20.298 -2.467 1.00 0.00 H new ATOM 0 HA SER A 6 -2.334 -20.680 -5.166 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.751 -21.331 -4.701 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.083 -19.646 -4.349 1.00 0.00 H new ATOM 0 HG SER A 6 -5.540 -20.188 -6.557 1.00 0.00 H new ATOM 59 N GLY A 7 -1.519 -18.356 -5.302 1.00 0.00 N ATOM 60 CA GLY A 7 -1.070 -16.985 -5.458 1.00 0.00 C ATOM 61 C GLY A 7 0.340 -16.774 -4.945 1.00 0.00 C ATOM 62 O GLY A 7 0.887 -17.598 -4.212 1.00 0.00 O ATOM 0 H GLY A 7 -0.940 -19.052 -5.772 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.115 -16.709 -6.512 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.750 -16.321 -4.925 1.00 0.00 H new ATOM 66 N PRO A 8 0.953 -15.646 -5.334 1.00 0.00 N ATOM 67 CA PRO A 8 2.317 -15.303 -4.920 1.00 0.00 C ATOM 68 C PRO A 8 2.403 -14.955 -3.438 1.00 0.00 C ATOM 69 O PRO A 8 1.387 -14.712 -2.788 1.00 0.00 O ATOM 70 CB PRO A 8 2.650 -14.079 -5.777 1.00 0.00 C ATOM 71 CG PRO A 8 1.329 -13.472 -6.100 1.00 0.00 C ATOM 72 CD PRO A 8 0.361 -14.618 -6.207 1.00 0.00 C ATOM 0 HA PRO A 8 3.006 -16.136 -5.056 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.286 -13.378 -5.236 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.187 -14.364 -6.682 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.021 -12.772 -5.323 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.375 -12.912 -7.034 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.637 -14.334 -5.874 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.266 -14.969 -7.234 1.00 0.00 H new ATOM 80 N SER A 9 3.623 -14.932 -2.910 1.00 0.00 N ATOM 81 CA SER A 9 3.841 -14.617 -1.503 1.00 0.00 C ATOM 82 C SER A 9 3.473 -13.166 -1.208 1.00 0.00 C ATOM 83 O SER A 9 3.218 -12.379 -2.121 1.00 0.00 O ATOM 84 CB SER A 9 5.301 -14.872 -1.122 1.00 0.00 C ATOM 85 OG SER A 9 6.179 -14.426 -2.140 1.00 0.00 O ATOM 0 H SER A 9 4.475 -15.128 -3.435 1.00 0.00 H new ATOM 0 HA SER A 9 3.199 -15.265 -0.907 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.531 -14.359 -0.188 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.454 -15.937 -0.947 1.00 0.00 H new ATOM 0 HG SER A 9 5.853 -13.577 -2.504 1.00 0.00 H new ATOM 91 N THR A 10 3.446 -12.818 0.075 1.00 0.00 N ATOM 92 CA THR A 10 3.108 -11.463 0.492 1.00 0.00 C ATOM 93 C THR A 10 4.045 -10.977 1.592 1.00 0.00 C ATOM 94 O THR A 10 4.736 -11.772 2.230 1.00 0.00 O ATOM 95 CB THR A 10 1.655 -11.376 0.995 1.00 0.00 C ATOM 96 OG1 THR A 10 1.235 -10.008 1.045 1.00 0.00 O ATOM 97 CG2 THR A 10 1.522 -12.004 2.374 1.00 0.00 C ATOM 0 H THR A 10 3.654 -13.456 0.843 1.00 0.00 H new ATOM 0 HA THR A 10 3.220 -10.825 -0.385 1.00 0.00 H new ATOM 0 HB THR A 10 1.019 -11.925 0.300 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.414 -9.899 0.522 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.487 -11.931 2.709 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.815 -13.053 2.326 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.169 -11.479 3.077 1.00 0.00 H new ATOM 105 N VAL A 11 4.063 -9.666 1.811 1.00 0.00 N ATOM 106 CA VAL A 11 4.913 -9.074 2.837 1.00 0.00 C ATOM 107 C VAL A 11 4.345 -9.317 4.230 1.00 0.00 C ATOM 108 O VAL A 11 3.154 -9.134 4.483 1.00 0.00 O ATOM 109 CB VAL A 11 5.081 -7.558 2.620 1.00 0.00 C ATOM 110 CG1 VAL A 11 5.762 -6.919 3.821 1.00 0.00 C ATOM 111 CG2 VAL A 11 5.866 -7.286 1.345 1.00 0.00 C ATOM 0 H VAL A 11 3.499 -8.994 1.292 1.00 0.00 H new ATOM 0 HA VAL A 11 5.888 -9.556 2.757 1.00 0.00 H new ATOM 0 HB VAL A 11 4.092 -7.112 2.513 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.872 -5.848 3.650 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.157 -7.083 4.713 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.746 -7.367 3.962 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.975 -6.210 1.207 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.852 -7.744 1.420 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.334 -7.709 0.493 1.00 0.00 H new ATOM 121 N PRO A 12 5.216 -9.739 5.159 1.00 0.00 N ATOM 122 CA PRO A 12 4.823 -10.015 6.544 1.00 0.00 C ATOM 123 C PRO A 12 4.471 -8.745 7.311 1.00 0.00 C ATOM 124 O PRO A 12 3.464 -8.697 8.020 1.00 0.00 O ATOM 125 CB PRO A 12 6.071 -10.672 7.142 1.00 0.00 C ATOM 126 CG PRO A 12 7.200 -10.160 6.316 1.00 0.00 C ATOM 127 CD PRO A 12 6.650 -9.978 4.929 1.00 0.00 C ATOM 0 HA PRO A 12 3.929 -10.636 6.598 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.195 -10.405 8.191 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.007 -11.759 7.095 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.578 -9.218 6.713 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.033 -10.863 6.316 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.120 -9.138 4.417 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.816 -10.861 4.312 1.00 0.00 H new ATOM 135 N ILE A 13 5.304 -7.721 7.165 1.00 0.00 N ATOM 136 CA ILE A 13 5.078 -6.450 7.843 1.00 0.00 C ATOM 137 C ILE A 13 5.555 -5.280 6.991 1.00 0.00 C ATOM 138 O ILE A 13 6.377 -5.449 6.091 1.00 0.00 O ATOM 139 CB ILE A 13 5.794 -6.405 9.206 1.00 0.00 C ATOM 140 CG1 ILE A 13 5.348 -5.175 10.000 1.00 0.00 C ATOM 141 CG2 ILE A 13 7.303 -6.398 9.012 1.00 0.00 C ATOM 142 CD1 ILE A 13 5.391 -5.375 11.499 1.00 0.00 C ATOM 0 H ILE A 13 6.142 -7.746 6.583 1.00 0.00 H new ATOM 0 HA ILE A 13 4.003 -6.364 8.003 1.00 0.00 H new ATOM 0 HB ILE A 13 5.524 -7.297 9.771 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.985 -4.331 9.736 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.332 -4.911 9.706 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.795 -6.366 9.984 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.606 -7.301 8.482 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.591 -5.522 8.431 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.062 -4.463 11.997 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.732 -6.198 11.775 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.411 -5.608 11.806 1.00 0.00 H new ATOM 154 N MET A 14 5.035 -4.092 7.283 1.00 0.00 N ATOM 155 CA MET A 14 5.411 -2.892 6.545 1.00 0.00 C ATOM 156 C MET A 14 6.154 -1.910 7.445 1.00 0.00 C ATOM 157 O MET A 14 5.965 -1.903 8.662 1.00 0.00 O ATOM 158 CB MET A 14 4.170 -2.220 5.954 1.00 0.00 C ATOM 159 CG MET A 14 3.467 -3.061 4.900 1.00 0.00 C ATOM 160 SD MET A 14 2.181 -2.148 4.027 1.00 0.00 S ATOM 161 CE MET A 14 3.169 -0.988 3.085 1.00 0.00 C ATOM 0 H MET A 14 4.353 -3.935 8.025 1.00 0.00 H new ATOM 0 HA MET A 14 6.076 -3.189 5.734 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.468 -2.000 6.759 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.459 -1.266 5.513 1.00 0.00 H new ATOM 0 HG2 MET A 14 4.202 -3.424 4.181 1.00 0.00 H new ATOM 0 HG3 MET A 14 3.026 -3.938 5.375 1.00 0.00 H new ATOM 0 HE1 MET A 14 3.031 0.017 3.485 1.00 0.00 H new ATOM 0 HE2 MET A 14 4.221 -1.265 3.155 1.00 0.00 H new ATOM 0 HE3 MET A 14 2.857 -1.009 2.041 1.00 0.00 H new ATOM 171 N HIS A 15 7.001 -1.083 6.840 1.00 0.00 N ATOM 172 CA HIS A 15 7.772 -0.097 7.588 1.00 0.00 C ATOM 173 C HIS A 15 7.657 1.283 6.948 1.00 0.00 C ATOM 174 O HIS A 15 7.556 1.404 5.727 1.00 0.00 O ATOM 175 CB HIS A 15 9.241 -0.516 7.662 1.00 0.00 C ATOM 176 CG HIS A 15 9.479 -1.713 8.531 1.00 0.00 C ATOM 177 ND1 HIS A 15 9.472 -1.655 9.909 1.00 0.00 N ATOM 178 CD2 HIS A 15 9.729 -3.004 8.211 1.00 0.00 C ATOM 179 CE1 HIS A 15 9.710 -2.859 10.399 1.00 0.00 C ATOM 180 NE2 HIS A 15 9.869 -3.696 9.389 1.00 0.00 N ATOM 0 H HIS A 15 7.171 -1.076 5.834 1.00 0.00 H new ATOM 0 HA HIS A 15 7.365 -0.045 8.598 1.00 0.00 H new ATOM 0 HB2 HIS A 15 9.600 -0.731 6.656 1.00 0.00 H new ATOM 0 HB3 HIS A 15 9.830 0.320 8.039 1.00 0.00 H new ATOM 0 HD2 HIS A 15 9.804 -3.414 7.215 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.765 -3.115 11.447 1.00 0.00 H new ATOM 0 HE2 HIS A 15 10.064 -4.694 9.471 1.00 0.00 H new ATOM 189 N GLN A 16 7.672 2.320 7.779 1.00 0.00 N ATOM 190 CA GLN A 16 7.567 3.690 7.293 1.00 0.00 C ATOM 191 C GLN A 16 8.920 4.393 7.351 1.00 0.00 C ATOM 192 O GLN A 16 9.643 4.290 8.342 1.00 0.00 O ATOM 193 CB GLN A 16 6.539 4.469 8.116 1.00 0.00 C ATOM 194 CG GLN A 16 6.797 5.967 8.151 1.00 0.00 C ATOM 195 CD GLN A 16 5.524 6.774 8.314 1.00 0.00 C ATOM 196 OE1 GLN A 16 5.085 7.412 7.236 1.00 0.00 O flip ATOM 197 NE2 GLN A 16 4.941 6.823 9.398 1.00 0.00 N flip ATOM 0 H GLN A 16 7.756 2.237 8.792 1.00 0.00 H new ATOM 0 HA GLN A 16 7.239 3.656 6.254 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.545 4.289 7.705 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.536 4.085 9.136 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.476 6.196 8.973 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.298 6.267 7.231 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.314 6.317 10.201 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.085 7.370 9.493 1.00 0.00 H new ATOM 206 N VAL A 17 9.256 5.107 6.282 1.00 0.00 N ATOM 207 CA VAL A 17 10.522 5.828 6.211 1.00 0.00 C ATOM 208 C VAL A 17 10.314 7.324 6.416 1.00 0.00 C ATOM 209 O VAL A 17 11.104 7.984 7.091 1.00 0.00 O ATOM 210 CB VAL A 17 11.223 5.599 4.859 1.00 0.00 C ATOM 211 CG1 VAL A 17 12.661 6.091 4.913 1.00 0.00 C ATOM 212 CG2 VAL A 17 11.169 4.128 4.473 1.00 0.00 C ATOM 0 H VAL A 17 8.670 5.202 5.453 1.00 0.00 H new ATOM 0 HA VAL A 17 11.153 5.439 7.010 1.00 0.00 H new ATOM 0 HB VAL A 17 10.696 6.171 4.095 1.00 0.00 H new ATOM 0 HG11 VAL A 17 13.140 5.921 3.949 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.673 7.157 5.141 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.202 5.548 5.688 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.669 3.985 3.515 1.00 0.00 H new ATOM 0 HG22 VAL A 17 11.670 3.533 5.237 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.129 3.811 4.390 1.00 0.00 H new ATOM 222 N SER A 18 9.245 7.854 5.829 1.00 0.00 N ATOM 223 CA SER A 18 8.935 9.274 5.945 1.00 0.00 C ATOM 224 C SER A 18 7.441 9.521 5.755 1.00 0.00 C ATOM 225 O SER A 18 6.669 8.587 5.540 1.00 0.00 O ATOM 226 CB SER A 18 9.731 10.077 4.914 1.00 0.00 C ATOM 227 OG SER A 18 9.593 11.470 5.136 1.00 0.00 O ATOM 0 H SER A 18 8.580 7.321 5.269 1.00 0.00 H new ATOM 0 HA SER A 18 9.216 9.602 6.946 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.784 9.800 4.966 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.386 9.829 3.910 1.00 0.00 H new ATOM 0 HG SER A 18 10.112 11.961 4.465 1.00 0.00 H new ATOM 233 N ALA A 19 7.042 10.786 5.837 1.00 0.00 N ATOM 234 CA ALA A 19 5.642 11.157 5.672 1.00 0.00 C ATOM 235 C ALA A 19 5.470 12.672 5.690 1.00 0.00 C ATOM 236 O ALA A 19 6.188 13.381 6.397 1.00 0.00 O ATOM 237 CB ALA A 19 4.794 10.515 6.760 1.00 0.00 C ATOM 0 H ALA A 19 7.668 11.571 6.017 1.00 0.00 H new ATOM 0 HA ALA A 19 5.307 10.791 4.702 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.751 10.801 6.624 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.884 9.430 6.699 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.139 10.853 7.737 1.00 0.00 H new ATOM 243 N THR A 20 4.515 13.164 4.907 1.00 0.00 N ATOM 244 CA THR A 20 4.250 14.595 4.832 1.00 0.00 C ATOM 245 C THR A 20 2.881 14.933 5.412 1.00 0.00 C ATOM 246 O THR A 20 2.193 14.064 5.948 1.00 0.00 O ATOM 247 CB THR A 20 4.319 15.104 3.380 1.00 0.00 C ATOM 248 OG1 THR A 20 3.027 15.018 2.769 1.00 0.00 O ATOM 249 CG2 THR A 20 5.323 14.296 2.571 1.00 0.00 C ATOM 0 H THR A 20 3.912 12.592 4.316 1.00 0.00 H new ATOM 0 HA THR A 20 5.023 15.090 5.420 1.00 0.00 H new ATOM 0 HB THR A 20 4.643 16.144 3.398 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.991 15.616 1.994 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.355 14.673 1.549 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.311 14.387 3.022 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.023 13.248 2.562 1.00 0.00 H new ATOM 257 N MET A 21 2.492 16.198 5.301 1.00 0.00 N ATOM 258 CA MET A 21 1.203 16.649 5.813 1.00 0.00 C ATOM 259 C MET A 21 0.070 16.225 4.884 1.00 0.00 C ATOM 260 O MET A 21 -1.074 16.077 5.313 1.00 0.00 O ATOM 261 CB MET A 21 1.200 18.170 5.979 1.00 0.00 C ATOM 262 CG MET A 21 1.780 18.638 7.303 1.00 0.00 C ATOM 263 SD MET A 21 1.399 20.365 7.657 1.00 0.00 S ATOM 264 CE MET A 21 -0.375 20.279 7.892 1.00 0.00 C ATOM 0 H MET A 21 3.050 16.929 4.861 1.00 0.00 H new ATOM 0 HA MET A 21 1.044 16.184 6.786 1.00 0.00 H new ATOM 0 HB2 MET A 21 1.769 18.617 5.164 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.177 18.535 5.891 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.392 18.012 8.107 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.862 18.504 7.289 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.743 21.244 8.240 1.00 0.00 H new ATOM 0 HE2 MET A 21 -0.855 20.027 6.947 1.00 0.00 H new ATOM 0 HE3 MET A 21 -0.607 19.514 8.633 1.00 0.00 H new ATOM 274 N ARG A 22 0.397 16.030 3.611 1.00 0.00 N ATOM 275 CA ARG A 22 -0.594 15.624 2.621 1.00 0.00 C ATOM 276 C ARG A 22 -0.168 14.336 1.922 1.00 0.00 C ATOM 277 O ARG A 22 -0.675 14.003 0.851 1.00 0.00 O ATOM 278 CB ARG A 22 -0.800 16.734 1.589 1.00 0.00 C ATOM 279 CG ARG A 22 -1.197 18.068 2.200 1.00 0.00 C ATOM 280 CD ARG A 22 -0.954 19.217 1.234 1.00 0.00 C ATOM 281 NE ARG A 22 -1.932 19.237 0.150 1.00 0.00 N ATOM 282 CZ ARG A 22 -1.871 20.073 -0.880 1.00 0.00 C ATOM 283 NH1 ARG A 22 -0.883 20.953 -0.966 1.00 0.00 N ATOM 284 NH2 ARG A 22 -2.799 20.030 -1.828 1.00 0.00 N ATOM 0 H ARG A 22 1.340 16.146 3.241 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.535 15.441 3.139 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.120 16.864 1.020 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.570 16.424 0.883 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.250 18.043 2.479 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.629 18.234 3.115 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.995 20.161 1.777 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.049 19.133 0.816 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.705 18.572 0.186 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.167 20.989 -0.240 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.838 21.594 -1.758 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.560 19.354 -1.766 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.751 20.673 -2.618 1.00 0.00 H new ATOM 298 N SER A 23 0.767 13.618 2.534 1.00 0.00 N ATOM 299 CA SER A 23 1.265 12.369 1.968 1.00 0.00 C ATOM 300 C SER A 23 1.931 11.514 3.041 1.00 0.00 C ATOM 301 O SER A 23 2.138 11.963 4.169 1.00 0.00 O ATOM 302 CB SER A 23 2.257 12.656 0.840 1.00 0.00 C ATOM 303 OG SER A 23 3.206 11.611 0.716 1.00 0.00 O ATOM 0 H SER A 23 1.196 13.879 3.422 1.00 0.00 H new ATOM 0 HA SER A 23 0.416 11.818 1.564 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.719 12.776 -0.100 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.771 13.597 1.035 1.00 0.00 H new ATOM 0 HG SER A 23 2.814 10.872 0.204 1.00 0.00 H new ATOM 309 N ILE A 24 2.265 10.279 2.682 1.00 0.00 N ATOM 310 CA ILE A 24 2.910 9.361 3.613 1.00 0.00 C ATOM 311 C ILE A 24 3.785 8.354 2.875 1.00 0.00 C ATOM 312 O ILE A 24 3.323 7.657 1.970 1.00 0.00 O ATOM 313 CB ILE A 24 1.873 8.599 4.460 1.00 0.00 C ATOM 314 CG1 ILE A 24 0.958 9.583 5.191 1.00 0.00 C ATOM 315 CG2 ILE A 24 2.571 7.680 5.450 1.00 0.00 C ATOM 316 CD1 ILE A 24 -0.136 8.910 5.991 1.00 0.00 C ATOM 0 H ILE A 24 2.100 9.891 1.753 1.00 0.00 H new ATOM 0 HA ILE A 24 3.533 9.966 4.272 1.00 0.00 H new ATOM 0 HB ILE A 24 1.261 7.988 3.796 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.560 10.198 5.860 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.504 10.254 4.462 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.825 7.148 6.041 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.185 6.960 4.908 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.204 8.271 6.111 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.746 9.668 6.482 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.762 8.317 5.324 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.311 8.260 6.743 1.00 0.00 H new ATOM 328 N THR A 25 5.053 8.281 3.267 1.00 0.00 N ATOM 329 CA THR A 25 5.995 7.360 2.643 1.00 0.00 C ATOM 330 C THR A 25 6.051 6.037 3.399 1.00 0.00 C ATOM 331 O THR A 25 5.921 6.004 4.624 1.00 0.00 O ATOM 332 CB THR A 25 7.411 7.962 2.578 1.00 0.00 C ATOM 333 OG1 THR A 25 7.346 9.318 2.125 1.00 0.00 O ATOM 334 CG2 THR A 25 8.301 7.152 1.647 1.00 0.00 C ATOM 0 H THR A 25 5.452 8.849 4.014 1.00 0.00 H new ATOM 0 HA THR A 25 5.638 7.182 1.629 1.00 0.00 H new ATOM 0 HB THR A 25 7.840 7.935 3.580 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.251 9.643 1.935 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.296 7.596 1.617 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.372 6.127 2.012 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.874 7.152 0.644 1.00 0.00 H new ATOM 342 N LEU A 26 6.247 4.948 2.663 1.00 0.00 N ATOM 343 CA LEU A 26 6.322 3.621 3.265 1.00 0.00 C ATOM 344 C LEU A 26 7.323 2.742 2.522 1.00 0.00 C ATOM 345 O LEU A 26 7.811 3.108 1.453 1.00 0.00 O ATOM 346 CB LEU A 26 4.943 2.960 3.261 1.00 0.00 C ATOM 347 CG LEU A 26 3.745 3.903 3.374 1.00 0.00 C ATOM 348 CD1 LEU A 26 2.515 3.284 2.729 1.00 0.00 C ATOM 349 CD2 LEU A 26 3.471 4.245 4.831 1.00 0.00 C ATOM 0 H LEU A 26 6.357 4.958 1.649 1.00 0.00 H new ATOM 0 HA LEU A 26 6.661 3.734 4.295 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.841 2.384 2.341 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.900 2.250 4.087 1.00 0.00 H new ATOM 0 HG LEU A 26 3.982 4.825 2.844 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.673 3.970 2.819 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.715 3.092 1.675 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.275 2.346 3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.615 4.917 4.892 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.255 3.331 5.385 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.346 4.732 5.261 1.00 0.00 H new ATOM 361 N SER A 27 7.622 1.581 3.094 1.00 0.00 N ATOM 362 CA SER A 27 8.566 0.650 2.487 1.00 0.00 C ATOM 363 C SER A 27 8.396 -0.751 3.067 1.00 0.00 C ATOM 364 O SER A 27 8.329 -0.927 4.283 1.00 0.00 O ATOM 365 CB SER A 27 10.002 1.133 2.703 1.00 0.00 C ATOM 366 OG SER A 27 10.539 0.615 3.907 1.00 0.00 O ATOM 0 H SER A 27 7.224 1.262 3.977 1.00 0.00 H new ATOM 0 HA SER A 27 8.361 0.609 1.417 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.623 0.825 1.862 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.022 2.222 2.731 1.00 0.00 H new ATOM 0 HG SER A 27 11.458 0.937 4.021 1.00 0.00 H new ATOM 372 N TRP A 28 8.327 -1.744 2.187 1.00 0.00 N ATOM 373 CA TRP A 28 8.165 -3.130 2.611 1.00 0.00 C ATOM 374 C TRP A 28 9.246 -4.015 2.001 1.00 0.00 C ATOM 375 O TRP A 28 9.738 -3.766 0.900 1.00 0.00 O ATOM 376 CB TRP A 28 6.781 -3.647 2.215 1.00 0.00 C ATOM 377 CG TRP A 28 6.449 -3.413 0.772 1.00 0.00 C ATOM 378 CD1 TRP A 28 6.535 -4.319 -0.246 1.00 0.00 C ATOM 379 CD2 TRP A 28 5.982 -2.192 0.188 1.00 0.00 C ATOM 380 NE1 TRP A 28 6.149 -3.735 -1.429 1.00 0.00 N ATOM 381 CE2 TRP A 28 5.804 -2.431 -1.189 1.00 0.00 C ATOM 382 CE3 TRP A 28 5.694 -0.922 0.693 1.00 0.00 C ATOM 383 CZ2 TRP A 28 5.352 -1.446 -2.063 1.00 0.00 C ATOM 384 CZ3 TRP A 28 5.246 0.055 -0.175 1.00 0.00 C ATOM 385 CH2 TRP A 28 5.078 -0.211 -1.541 1.00 0.00 C ATOM 0 H TRP A 28 8.381 -1.615 1.177 1.00 0.00 H new ATOM 0 HA TRP A 28 8.262 -3.166 3.696 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.727 -4.715 2.424 1.00 0.00 H new ATOM 0 HB3 TRP A 28 6.028 -3.162 2.837 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.859 -5.344 -0.138 1.00 0.00 H new ATOM 0 HE1 TRP A 28 6.124 -4.197 -2.338 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.819 -0.707 1.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 5.222 -1.649 -3.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.021 1.041 0.205 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.726 0.574 -2.194 1.00 0.00 H new ATOM 396 N PRO A 29 9.626 -5.075 2.730 1.00 0.00 N ATOM 397 CA PRO A 29 10.652 -6.020 2.279 1.00 0.00 C ATOM 398 C PRO A 29 10.180 -6.872 1.106 1.00 0.00 C ATOM 399 O PRO A 29 8.980 -7.010 0.871 1.00 0.00 O ATOM 400 CB PRO A 29 10.896 -6.894 3.511 1.00 0.00 C ATOM 401 CG PRO A 29 9.628 -6.814 4.289 1.00 0.00 C ATOM 402 CD PRO A 29 9.082 -5.434 4.050 1.00 0.00 C ATOM 0 HA PRO A 29 11.545 -5.510 1.918 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.123 -7.922 3.228 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.742 -6.529 4.094 1.00 0.00 H new ATOM 0 HG2 PRO A 29 8.920 -7.576 3.961 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.810 -6.983 5.350 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.992 -5.428 4.051 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.405 -4.735 4.821 1.00 0.00 H new ATOM 410 N GLN A 30 11.132 -7.442 0.374 1.00 0.00 N ATOM 411 CA GLN A 30 10.812 -8.282 -0.775 1.00 0.00 C ATOM 412 C GLN A 30 10.653 -9.740 -0.356 1.00 0.00 C ATOM 413 O GLN A 30 11.457 -10.286 0.399 1.00 0.00 O ATOM 414 CB GLN A 30 11.902 -8.161 -1.841 1.00 0.00 C ATOM 415 CG GLN A 30 11.525 -8.792 -3.171 1.00 0.00 C ATOM 416 CD GLN A 30 12.632 -8.687 -4.202 1.00 0.00 C ATOM 417 OE1 GLN A 30 13.646 -9.380 -4.113 1.00 0.00 O ATOM 418 NE2 GLN A 30 12.443 -7.817 -5.187 1.00 0.00 N ATOM 0 H GLN A 30 12.130 -7.338 0.556 1.00 0.00 H new ATOM 0 HA GLN A 30 9.866 -7.938 -1.193 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.128 -7.107 -2.000 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.814 -8.630 -1.471 1.00 0.00 H new ATOM 0 HG2 GLN A 30 11.279 -9.842 -3.014 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.627 -8.308 -3.557 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.587 -7.263 -5.221 1.00 0.00 H new ATOM 0 HE22 GLN A 30 13.154 -7.702 -5.910 1.00 0.00 H new ATOM 427 N PRO A 31 9.590 -10.387 -0.857 1.00 0.00 N ATOM 428 CA PRO A 31 9.300 -11.790 -0.549 1.00 0.00 C ATOM 429 C PRO A 31 10.304 -12.743 -1.188 1.00 0.00 C ATOM 430 O PRO A 31 11.167 -12.324 -1.958 1.00 0.00 O ATOM 431 CB PRO A 31 7.906 -12.004 -1.144 1.00 0.00 C ATOM 432 CG PRO A 31 7.798 -10.989 -2.230 1.00 0.00 C ATOM 433 CD PRO A 31 8.589 -9.798 -1.763 1.00 0.00 C ATOM 0 HA PRO A 31 9.357 -11.992 0.521 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.793 -13.015 -1.535 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.129 -11.864 -0.393 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.194 -11.377 -3.168 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.757 -10.720 -2.411 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.059 -9.276 -2.596 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.958 -9.073 -1.248 1.00 0.00 H new ATOM 441 N GLU A 32 10.184 -14.027 -0.863 1.00 0.00 N ATOM 442 CA GLU A 32 11.083 -15.038 -1.406 1.00 0.00 C ATOM 443 C GLU A 32 10.296 -16.172 -2.057 1.00 0.00 C ATOM 444 O GLU A 32 10.869 -17.041 -2.713 1.00 0.00 O ATOM 445 CB GLU A 32 11.985 -15.596 -0.303 1.00 0.00 C ATOM 446 CG GLU A 32 13.114 -14.659 0.093 1.00 0.00 C ATOM 447 CD GLU A 32 14.343 -14.825 -0.779 1.00 0.00 C ATOM 448 OE1 GLU A 32 14.222 -14.667 -2.012 1.00 0.00 O ATOM 449 OE2 GLU A 32 15.426 -15.114 -0.229 1.00 0.00 O ATOM 0 H GLU A 32 9.474 -14.391 -0.227 1.00 0.00 H new ATOM 0 HA GLU A 32 11.703 -14.565 -2.167 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.378 -15.812 0.576 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.410 -16.542 -0.637 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.765 -13.628 0.030 1.00 0.00 H new ATOM 0 HG3 GLU A 32 13.384 -14.841 1.133 1.00 0.00 H new ATOM 456 N GLN A 33 8.981 -16.156 -1.868 1.00 0.00 N ATOM 457 CA GLN A 33 8.115 -17.183 -2.435 1.00 0.00 C ATOM 458 C GLN A 33 7.058 -16.564 -3.343 1.00 0.00 C ATOM 459 O GLN A 33 5.871 -16.882 -3.262 1.00 0.00 O ATOM 460 CB GLN A 33 7.441 -17.985 -1.320 1.00 0.00 C ATOM 461 CG GLN A 33 8.386 -18.923 -0.588 1.00 0.00 C ATOM 462 CD GLN A 33 7.809 -19.432 0.718 1.00 0.00 C ATOM 463 OE1 GLN A 33 7.525 -18.653 1.629 1.00 0.00 O ATOM 464 NE2 GLN A 33 7.631 -20.744 0.816 1.00 0.00 N ATOM 0 H GLN A 33 8.492 -15.443 -1.327 1.00 0.00 H new ATOM 0 HA GLN A 33 8.733 -17.854 -3.032 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.001 -17.293 -0.602 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.623 -18.566 -1.746 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.621 -19.771 -1.232 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.324 -18.405 -0.389 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.880 -21.352 0.036 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.245 -21.144 1.671 1.00 0.00 H new ATOM 473 N PRO A 34 7.496 -15.657 -4.229 1.00 0.00 N ATOM 474 CA PRO A 34 6.603 -14.974 -5.170 1.00 0.00 C ATOM 475 C PRO A 34 6.068 -15.912 -6.247 1.00 0.00 C ATOM 476 O PRO A 34 5.315 -15.497 -7.126 1.00 0.00 O ATOM 477 CB PRO A 34 7.499 -13.900 -5.793 1.00 0.00 C ATOM 478 CG PRO A 34 8.882 -14.436 -5.659 1.00 0.00 C ATOM 479 CD PRO A 34 8.897 -15.229 -4.381 1.00 0.00 C ATOM 0 HA PRO A 34 5.717 -14.576 -4.675 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.241 -13.727 -6.838 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.392 -12.946 -5.276 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.141 -15.064 -6.511 1.00 0.00 H new ATOM 0 HG3 PRO A 34 9.612 -13.628 -5.625 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.573 -16.082 -4.445 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.226 -14.624 -3.536 1.00 0.00 H new ATOM 487 N ASN A 35 6.462 -17.179 -6.170 1.00 0.00 N ATOM 488 CA ASN A 35 6.021 -18.176 -7.139 1.00 0.00 C ATOM 489 C ASN A 35 6.063 -17.613 -8.556 1.00 0.00 C ATOM 490 O ASN A 35 5.336 -18.069 -9.438 1.00 0.00 O ATOM 491 CB ASN A 35 4.604 -18.649 -6.807 1.00 0.00 C ATOM 492 CG ASN A 35 4.563 -19.536 -5.578 1.00 0.00 C ATOM 493 OD1 ASN A 35 5.182 -19.077 -4.496 1.00 0.00 O flip ATOM 494 ND2 ASN A 35 3.983 -20.621 -5.601 1.00 0.00 N flip ATOM 0 H ASN A 35 7.085 -17.539 -5.447 1.00 0.00 H new ATOM 0 HA ASN A 35 6.702 -19.025 -7.085 1.00 0.00 H new ATOM 0 HB2 ASN A 35 3.963 -17.782 -6.647 1.00 0.00 H new ATOM 0 HB3 ASN A 35 4.197 -19.194 -7.659 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.521 -20.934 -6.455 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.965 -21.207 -4.767 1.00 0.00 H new ATOM 501 N GLY A 36 6.920 -16.619 -8.767 1.00 0.00 N ATOM 502 CA GLY A 36 7.041 -16.010 -10.079 1.00 0.00 C ATOM 503 C GLY A 36 7.438 -14.549 -10.005 1.00 0.00 C ATOM 504 O GLY A 36 7.044 -13.837 -9.081 1.00 0.00 O ATOM 0 H GLY A 36 7.533 -16.225 -8.053 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.782 -16.556 -10.663 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.091 -16.099 -10.607 1.00 0.00 H new ATOM 508 N ILE A 37 8.221 -14.100 -10.981 1.00 0.00 N ATOM 509 CA ILE A 37 8.672 -12.715 -11.022 1.00 0.00 C ATOM 510 C ILE A 37 7.557 -11.761 -10.605 1.00 0.00 C ATOM 511 O ILE A 37 6.417 -11.890 -11.051 1.00 0.00 O ATOM 512 CB ILE A 37 9.166 -12.325 -12.428 1.00 0.00 C ATOM 513 CG1 ILE A 37 10.521 -12.975 -12.714 1.00 0.00 C ATOM 514 CG2 ILE A 37 9.260 -10.812 -12.555 1.00 0.00 C ATOM 515 CD1 ILE A 37 11.533 -12.775 -11.607 1.00 0.00 C ATOM 0 H ILE A 37 8.556 -14.676 -11.754 1.00 0.00 H new ATOM 0 HA ILE A 37 9.500 -12.632 -10.318 1.00 0.00 H new ATOM 0 HB ILE A 37 8.448 -12.688 -13.164 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.376 -14.043 -12.874 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.923 -12.566 -13.641 1.00 0.00 H new ATOM 0 HG21 ILE A 37 9.610 -10.552 -13.554 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.277 -10.371 -12.389 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.960 -10.427 -11.813 1.00 0.00 H new ATOM 0 HD11 ILE A 37 12.470 -13.262 -11.878 1.00 0.00 H new ATOM 0 HD12 ILE A 37 11.707 -11.709 -11.462 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.152 -13.210 -10.683 1.00 0.00 H new ATOM 527 N ILE A 38 7.895 -10.804 -9.748 1.00 0.00 N ATOM 528 CA ILE A 38 6.923 -9.827 -9.273 1.00 0.00 C ATOM 529 C ILE A 38 6.855 -8.622 -10.204 1.00 0.00 C ATOM 530 O ILE A 38 7.698 -7.726 -10.141 1.00 0.00 O ATOM 531 CB ILE A 38 7.260 -9.344 -7.850 1.00 0.00 C ATOM 532 CG1 ILE A 38 7.187 -10.509 -6.861 1.00 0.00 C ATOM 533 CG2 ILE A 38 6.314 -8.227 -7.432 1.00 0.00 C ATOM 534 CD1 ILE A 38 7.881 -10.230 -5.546 1.00 0.00 C ATOM 0 H ILE A 38 8.834 -10.684 -9.368 1.00 0.00 H new ATOM 0 HA ILE A 38 5.954 -10.327 -9.258 1.00 0.00 H new ATOM 0 HB ILE A 38 8.277 -8.953 -7.847 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.141 -10.745 -6.667 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.634 -11.392 -7.318 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.565 -7.896 -6.424 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.411 -7.390 -8.123 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.288 -8.594 -7.449 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.789 -11.099 -4.894 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.936 -10.023 -5.728 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.419 -9.367 -5.067 1.00 0.00 H new ATOM 546 N LEU A 39 5.845 -8.604 -11.067 1.00 0.00 N ATOM 547 CA LEU A 39 5.665 -7.507 -12.012 1.00 0.00 C ATOM 548 C LEU A 39 5.729 -6.160 -11.300 1.00 0.00 C ATOM 549 O LEU A 39 6.643 -5.368 -11.529 1.00 0.00 O ATOM 550 CB LEU A 39 4.327 -7.649 -12.740 1.00 0.00 C ATOM 551 CG LEU A 39 4.089 -8.981 -13.453 1.00 0.00 C ATOM 552 CD1 LEU A 39 2.600 -9.271 -13.560 1.00 0.00 C ATOM 553 CD2 LEU A 39 4.733 -8.971 -14.831 1.00 0.00 C ATOM 0 H LEU A 39 5.138 -9.337 -11.132 1.00 0.00 H new ATOM 0 HA LEU A 39 6.474 -7.551 -12.741 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.525 -7.498 -12.017 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.249 -6.847 -13.475 1.00 0.00 H new ATOM 0 HG LEU A 39 4.551 -9.774 -12.864 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.450 -10.223 -14.070 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.167 -9.323 -12.561 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.114 -8.476 -14.126 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.553 -9.927 -15.323 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.301 -8.168 -15.429 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.806 -8.811 -14.730 1.00 0.00 H new ATOM 565 N ASP A 40 4.753 -5.907 -10.435 1.00 0.00 N ATOM 566 CA ASP A 40 4.700 -4.657 -9.686 1.00 0.00 C ATOM 567 C ASP A 40 4.058 -4.869 -8.318 1.00 0.00 C ATOM 568 O ASP A 40 3.735 -5.996 -7.941 1.00 0.00 O ATOM 569 CB ASP A 40 3.920 -3.601 -10.471 1.00 0.00 C ATOM 570 CG ASP A 40 2.687 -4.172 -11.143 1.00 0.00 C ATOM 571 OD1 ASP A 40 2.844 -4.976 -12.087 1.00 0.00 O ATOM 572 OD2 ASP A 40 1.565 -3.817 -10.725 1.00 0.00 O ATOM 0 H ASP A 40 3.988 -6.551 -10.235 1.00 0.00 H new ATOM 0 HA ASP A 40 5.722 -4.308 -9.537 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.623 -2.797 -9.797 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.570 -3.160 -11.226 1.00 0.00 H new ATOM 577 N TYR A 41 3.878 -3.780 -7.580 1.00 0.00 N ATOM 578 CA TYR A 41 3.278 -3.847 -6.252 1.00 0.00 C ATOM 579 C TYR A 41 2.133 -2.847 -6.120 1.00 0.00 C ATOM 580 O TYR A 41 2.321 -1.645 -6.305 1.00 0.00 O ATOM 581 CB TYR A 41 4.334 -3.575 -5.179 1.00 0.00 C ATOM 582 CG TYR A 41 5.515 -4.517 -5.239 1.00 0.00 C ATOM 583 CD1 TYR A 41 6.561 -4.294 -6.127 1.00 0.00 C ATOM 584 CD2 TYR A 41 5.585 -5.630 -4.410 1.00 0.00 C ATOM 585 CE1 TYR A 41 7.642 -5.152 -6.186 1.00 0.00 C ATOM 586 CE2 TYR A 41 6.663 -6.492 -4.462 1.00 0.00 C ATOM 587 CZ TYR A 41 7.689 -6.249 -5.351 1.00 0.00 C ATOM 588 OH TYR A 41 8.764 -7.107 -5.407 1.00 0.00 O ATOM 0 H TYR A 41 4.139 -2.840 -7.878 1.00 0.00 H new ATOM 0 HA TYR A 41 2.877 -4.851 -6.112 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.691 -2.551 -5.284 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.869 -3.651 -4.196 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.528 -3.436 -6.782 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.783 -5.824 -3.713 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.446 -4.965 -6.882 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.702 -7.352 -3.810 1.00 0.00 H new ATOM 0 HH TYR A 41 9.488 -6.761 -4.844 1.00 0.00 H new ATOM 598 N GLU A 42 0.948 -3.355 -5.799 1.00 0.00 N ATOM 599 CA GLU A 42 -0.228 -2.506 -5.642 1.00 0.00 C ATOM 600 C GLU A 42 -0.415 -2.099 -4.183 1.00 0.00 C ATOM 601 O GLU A 42 0.017 -2.805 -3.271 1.00 0.00 O ATOM 602 CB GLU A 42 -1.478 -3.232 -6.144 1.00 0.00 C ATOM 603 CG GLU A 42 -2.624 -2.298 -6.497 1.00 0.00 C ATOM 604 CD GLU A 42 -2.528 -1.767 -7.914 1.00 0.00 C ATOM 605 OE1 GLU A 42 -1.397 -1.646 -8.428 1.00 0.00 O ATOM 606 OE2 GLU A 42 -3.587 -1.473 -8.509 1.00 0.00 O ATOM 0 H GLU A 42 0.776 -4.348 -5.643 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.076 -1.605 -6.236 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.217 -3.822 -7.023 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.813 -3.932 -5.379 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.569 -2.826 -6.374 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.634 -1.461 -5.799 1.00 0.00 H new ATOM 613 N ILE A 43 -1.059 -0.957 -3.972 1.00 0.00 N ATOM 614 CA ILE A 43 -1.303 -0.456 -2.625 1.00 0.00 C ATOM 615 C ILE A 43 -2.712 0.115 -2.498 1.00 0.00 C ATOM 616 O ILE A 43 -3.174 0.854 -3.367 1.00 0.00 O ATOM 617 CB ILE A 43 -0.284 0.631 -2.235 1.00 0.00 C ATOM 618 CG1 ILE A 43 1.139 0.073 -2.301 1.00 0.00 C ATOM 619 CG2 ILE A 43 -0.585 1.165 -0.843 1.00 0.00 C ATOM 620 CD1 ILE A 43 1.755 0.150 -3.681 1.00 0.00 C ATOM 0 H ILE A 43 -1.421 -0.361 -4.716 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.194 -1.304 -1.949 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.365 1.455 -2.944 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.768 0.621 -1.600 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.128 -0.967 -1.974 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.144 1.932 -0.582 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.586 1.595 -0.827 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.529 0.351 -0.121 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.763 -0.263 -3.653 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.148 -0.422 -4.383 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.798 1.191 -4.003 1.00 0.00 H new ATOM 632 N ARG A 44 -3.388 -0.231 -1.407 1.00 0.00 N ATOM 633 CA ARG A 44 -4.744 0.247 -1.165 1.00 0.00 C ATOM 634 C ARG A 44 -4.804 1.090 0.106 1.00 0.00 C ATOM 635 O ARG A 44 -4.560 0.592 1.205 1.00 0.00 O ATOM 636 CB ARG A 44 -5.712 -0.932 -1.055 1.00 0.00 C ATOM 637 CG ARG A 44 -7.169 -0.516 -0.941 1.00 0.00 C ATOM 638 CD ARG A 44 -7.779 -0.243 -2.307 1.00 0.00 C ATOM 639 NE ARG A 44 -9.198 -0.586 -2.352 1.00 0.00 N ATOM 640 CZ ARG A 44 -9.650 -1.818 -2.559 1.00 0.00 C ATOM 641 NH1 ARG A 44 -8.798 -2.818 -2.740 1.00 0.00 N ATOM 642 NH2 ARG A 44 -10.956 -2.051 -2.586 1.00 0.00 N ATOM 0 H ARG A 44 -3.019 -0.840 -0.677 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.038 0.871 -2.009 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.593 -1.571 -1.930 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.445 -1.530 -0.184 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.734 -1.301 -0.439 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.246 0.378 -0.322 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.653 0.811 -2.556 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.244 -0.816 -3.064 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.879 0.161 -2.217 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -7.793 -2.642 -2.720 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -9.147 -3.763 -2.899 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -11.614 -1.284 -2.448 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -11.302 -2.997 -2.745 1.00 0.00 H new ATOM 656 N TYR A 45 -5.131 2.367 -0.053 1.00 0.00 N ATOM 657 CA TYR A 45 -5.221 3.280 1.081 1.00 0.00 C ATOM 658 C TYR A 45 -6.612 3.898 1.174 1.00 0.00 C ATOM 659 O TYR A 45 -7.220 4.242 0.160 1.00 0.00 O ATOM 660 CB TYR A 45 -4.167 4.382 0.961 1.00 0.00 C ATOM 661 CG TYR A 45 -4.232 5.141 -0.345 1.00 0.00 C ATOM 662 CD1 TYR A 45 -3.613 4.651 -1.488 1.00 0.00 C ATOM 663 CD2 TYR A 45 -4.912 6.350 -0.436 1.00 0.00 C ATOM 664 CE1 TYR A 45 -3.669 5.342 -2.683 1.00 0.00 C ATOM 665 CE2 TYR A 45 -4.975 7.047 -1.627 1.00 0.00 C ATOM 666 CZ TYR A 45 -4.352 6.539 -2.748 1.00 0.00 C ATOM 667 OH TYR A 45 -4.411 7.231 -3.936 1.00 0.00 O ATOM 0 H TYR A 45 -5.338 2.794 -0.956 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.036 2.708 1.990 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.291 5.083 1.786 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.177 3.939 1.065 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.079 3.714 -1.442 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.400 6.751 0.440 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.181 4.947 -3.562 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.509 7.984 -1.680 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.931 8.052 -3.811 1.00 0.00 H new ATOM 677 N TYR A 46 -7.110 4.038 2.397 1.00 0.00 N ATOM 678 CA TYR A 46 -8.431 4.613 2.624 1.00 0.00 C ATOM 679 C TYR A 46 -8.532 5.209 4.025 1.00 0.00 C ATOM 680 O TYR A 46 -7.870 4.750 4.955 1.00 0.00 O ATOM 681 CB TYR A 46 -9.514 3.551 2.430 1.00 0.00 C ATOM 682 CG TYR A 46 -9.373 2.366 3.359 1.00 0.00 C ATOM 683 CD1 TYR A 46 -9.512 2.515 4.733 1.00 0.00 C ATOM 684 CD2 TYR A 46 -9.101 1.097 2.862 1.00 0.00 C ATOM 685 CE1 TYR A 46 -9.384 1.435 5.585 1.00 0.00 C ATOM 686 CE2 TYR A 46 -8.972 0.011 3.706 1.00 0.00 C ATOM 687 CZ TYR A 46 -9.114 0.185 5.067 1.00 0.00 C ATOM 688 OH TYR A 46 -8.986 -0.893 5.913 1.00 0.00 O ATOM 0 H TYR A 46 -6.619 3.761 3.247 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.581 5.411 1.897 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.491 4.008 2.584 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.485 3.199 1.399 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.724 3.492 5.142 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -8.988 0.957 1.797 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.495 1.568 6.651 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.761 -0.968 3.303 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.798 -1.699 5.389 1.00 0.00 H new ATOM 698 N GLU A 47 -9.366 6.234 4.166 1.00 0.00 N ATOM 699 CA GLU A 47 -9.554 6.893 5.454 1.00 0.00 C ATOM 700 C GLU A 47 -10.050 5.904 6.504 1.00 0.00 C ATOM 701 O GLU A 47 -10.869 5.031 6.214 1.00 0.00 O ATOM 702 CB GLU A 47 -10.546 8.050 5.319 1.00 0.00 C ATOM 703 CG GLU A 47 -9.942 9.301 4.702 1.00 0.00 C ATOM 704 CD GLU A 47 -10.733 10.553 5.028 1.00 0.00 C ATOM 705 OE1 GLU A 47 -11.124 10.719 6.202 1.00 0.00 O ATOM 706 OE2 GLU A 47 -10.961 11.366 4.108 1.00 0.00 O ATOM 0 H GLU A 47 -9.922 6.626 3.406 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.590 7.286 5.777 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.389 7.725 4.709 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.941 8.296 6.305 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.919 9.419 5.058 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.891 9.180 3.620 1.00 0.00 H new ATOM 713 N LYS A 48 -9.548 6.046 7.726 1.00 0.00 N ATOM 714 CA LYS A 48 -9.939 5.167 8.821 1.00 0.00 C ATOM 715 C LYS A 48 -11.457 5.039 8.902 1.00 0.00 C ATOM 716 O LYS A 48 -11.980 4.032 9.377 1.00 0.00 O ATOM 717 CB LYS A 48 -9.390 5.696 10.148 1.00 0.00 C ATOM 718 CG LYS A 48 -9.415 4.671 11.269 1.00 0.00 C ATOM 719 CD LYS A 48 -8.475 5.058 12.399 1.00 0.00 C ATOM 720 CE LYS A 48 -8.937 4.483 13.729 1.00 0.00 C ATOM 721 NZ LYS A 48 -8.695 3.016 13.813 1.00 0.00 N ATOM 0 H LYS A 48 -8.869 6.762 7.983 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.519 4.180 8.628 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.364 6.033 9.998 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.971 6.567 10.451 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.430 4.577 11.655 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.131 3.694 10.877 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.470 4.700 12.176 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.418 6.144 12.471 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.414 4.985 14.543 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.000 4.684 13.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.023 2.662 14.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.215 2.534 13.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.678 2.826 13.712 1.00 0.00 H new ATOM 735 N GLU A 49 -12.158 6.067 8.434 1.00 0.00 N ATOM 736 CA GLU A 49 -13.617 6.068 8.453 1.00 0.00 C ATOM 737 C GLU A 49 -14.178 5.404 7.199 1.00 0.00 C ATOM 738 O GLU A 49 -15.307 4.912 7.195 1.00 0.00 O ATOM 739 CB GLU A 49 -14.146 7.499 8.566 1.00 0.00 C ATOM 740 CG GLU A 49 -14.021 8.086 9.961 1.00 0.00 C ATOM 741 CD GLU A 49 -14.824 9.361 10.133 1.00 0.00 C ATOM 742 OE1 GLU A 49 -14.512 10.355 9.444 1.00 0.00 O ATOM 743 OE2 GLU A 49 -15.764 9.365 10.955 1.00 0.00 O ATOM 0 H GLU A 49 -11.740 6.909 8.038 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.944 5.497 9.322 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.605 8.134 7.864 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -15.194 7.514 8.267 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -14.355 7.350 10.692 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.971 8.291 10.172 1.00 0.00 H new ATOM 750 N HIS A 50 -13.381 5.394 6.135 1.00 0.00 N ATOM 751 CA HIS A 50 -13.797 4.790 4.874 1.00 0.00 C ATOM 752 C HIS A 50 -13.356 3.332 4.798 1.00 0.00 C ATOM 753 O HIS A 50 -12.641 2.844 5.671 1.00 0.00 O ATOM 754 CB HIS A 50 -13.218 5.572 3.694 1.00 0.00 C ATOM 755 CG HIS A 50 -14.096 6.694 3.231 1.00 0.00 C ATOM 756 ND1 HIS A 50 -14.045 7.212 1.954 1.00 0.00 N ATOM 757 CD2 HIS A 50 -15.052 7.397 3.882 1.00 0.00 C ATOM 758 CE1 HIS A 50 -14.930 8.186 1.840 1.00 0.00 C ATOM 759 NE2 HIS A 50 -15.555 8.318 2.996 1.00 0.00 N ATOM 0 H HIS A 50 -12.444 5.797 6.121 1.00 0.00 H new ATOM 0 HA HIS A 50 -14.885 4.825 4.825 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -12.246 5.975 3.978 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -13.049 4.887 2.863 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -15.362 7.259 4.907 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -15.112 8.774 0.953 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -16.292 8.994 3.198 1.00 0.00 H new ATOM 768 N ASN A 51 -13.788 2.642 3.747 1.00 0.00 N ATOM 769 CA ASN A 51 -13.439 1.239 3.558 1.00 0.00 C ATOM 770 C ASN A 51 -12.741 1.027 2.218 1.00 0.00 C ATOM 771 O ASN A 51 -12.593 1.962 1.431 1.00 0.00 O ATOM 772 CB ASN A 51 -14.692 0.364 3.637 1.00 0.00 C ATOM 773 CG ASN A 51 -15.463 0.573 4.926 1.00 0.00 C ATOM 774 OD1 ASN A 51 -16.065 1.747 5.072 1.00 0.00 O flip ATOM 775 ND2 ASN A 51 -15.516 -0.312 5.781 1.00 0.00 N flip ATOM 0 H ASN A 51 -14.380 3.032 3.014 1.00 0.00 H new ATOM 0 HA ASN A 51 -12.753 0.952 4.355 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -15.340 0.585 2.789 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -14.405 -0.684 3.554 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -15.038 -1.200 5.627 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -16.038 -0.157 6.643 1.00 0.00 H new ATOM 782 N GLU A 52 -12.316 -0.207 1.966 1.00 0.00 N ATOM 783 CA GLU A 52 -11.633 -0.540 0.721 1.00 0.00 C ATOM 784 C GLU A 52 -12.486 -0.158 -0.485 1.00 0.00 C ATOM 785 O GLU A 52 -11.964 0.206 -1.539 1.00 0.00 O ATOM 786 CB GLU A 52 -11.306 -2.034 0.677 1.00 0.00 C ATOM 787 CG GLU A 52 -10.293 -2.466 1.724 1.00 0.00 C ATOM 788 CD GLU A 52 -10.439 -3.926 2.109 1.00 0.00 C ATOM 789 OE1 GLU A 52 -11.451 -4.271 2.754 1.00 0.00 O ATOM 790 OE2 GLU A 52 -9.541 -4.722 1.764 1.00 0.00 O ATOM 0 H GLU A 52 -12.432 -0.992 2.607 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.704 0.029 0.682 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -12.225 -2.603 0.816 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.923 -2.285 -0.312 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.286 -2.293 1.343 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.408 -1.846 2.613 1.00 0.00 H new ATOM 797 N PHE A 53 -13.803 -0.246 -0.323 1.00 0.00 N ATOM 798 CA PHE A 53 -14.729 0.088 -1.399 1.00 0.00 C ATOM 799 C PHE A 53 -14.367 1.428 -2.033 1.00 0.00 C ATOM 800 O PHE A 53 -13.911 1.483 -3.174 1.00 0.00 O ATOM 801 CB PHE A 53 -16.164 0.133 -0.869 1.00 0.00 C ATOM 802 CG PHE A 53 -17.200 -0.151 -1.919 1.00 0.00 C ATOM 803 CD1 PHE A 53 -17.185 -1.346 -2.621 1.00 0.00 C ATOM 804 CD2 PHE A 53 -18.188 0.777 -2.204 1.00 0.00 C ATOM 805 CE1 PHE A 53 -18.136 -1.609 -3.588 1.00 0.00 C ATOM 806 CE2 PHE A 53 -19.143 0.519 -3.170 1.00 0.00 C ATOM 807 CZ PHE A 53 -19.117 -0.676 -3.862 1.00 0.00 C ATOM 0 H PHE A 53 -14.252 -0.546 0.542 1.00 0.00 H new ATOM 0 HA PHE A 53 -14.654 -0.687 -2.162 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -16.268 -0.592 -0.062 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -16.354 1.117 -0.440 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -16.421 -2.080 -2.410 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -18.213 1.713 -1.665 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -18.112 -2.543 -4.129 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -19.908 1.251 -3.383 1.00 0.00 H new ATOM 0 HZ PHE A 53 -19.863 -0.881 -4.616 1.00 0.00 H new ATOM 817 N ASN A 54 -14.573 2.505 -1.282 1.00 0.00 N ATOM 818 CA ASN A 54 -14.270 3.846 -1.770 1.00 0.00 C ATOM 819 C ASN A 54 -12.842 4.245 -1.411 1.00 0.00 C ATOM 820 O ASN A 54 -12.623 5.129 -0.583 1.00 0.00 O ATOM 821 CB ASN A 54 -15.257 4.859 -1.187 1.00 0.00 C ATOM 822 CG ASN A 54 -16.500 5.013 -2.042 1.00 0.00 C ATOM 823 OD1 ASN A 54 -16.676 4.306 -3.034 1.00 0.00 O ATOM 824 ND2 ASN A 54 -17.368 5.943 -1.661 1.00 0.00 N ATOM 0 H ASN A 54 -14.948 2.476 -0.334 1.00 0.00 H new ATOM 0 HA ASN A 54 -14.365 3.841 -2.856 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -15.546 4.545 -0.184 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.765 5.827 -1.089 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -18.222 6.094 -2.198 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -17.181 6.506 -0.831 1.00 0.00 H new ATOM 831 N SER A 55 -11.873 3.588 -2.041 1.00 0.00 N ATOM 832 CA SER A 55 -10.466 3.872 -1.785 1.00 0.00 C ATOM 833 C SER A 55 -9.722 4.146 -3.089 1.00 0.00 C ATOM 834 O SER A 55 -10.303 4.089 -4.172 1.00 0.00 O ATOM 835 CB SER A 55 -9.813 2.700 -1.049 1.00 0.00 C ATOM 836 OG SER A 55 -10.712 2.114 -0.125 1.00 0.00 O ATOM 0 H SER A 55 -12.037 2.856 -2.732 1.00 0.00 H new ATOM 0 HA SER A 55 -10.408 4.762 -1.159 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.487 1.950 -1.770 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.922 3.046 -0.525 1.00 0.00 H new ATOM 0 HG SER A 55 -11.296 2.807 0.248 1.00 0.00 H new ATOM 842 N SER A 56 -8.432 4.445 -2.975 1.00 0.00 N ATOM 843 CA SER A 56 -7.608 4.733 -4.143 1.00 0.00 C ATOM 844 C SER A 56 -6.381 3.827 -4.179 1.00 0.00 C ATOM 845 O SER A 56 -5.620 3.755 -3.214 1.00 0.00 O ATOM 846 CB SER A 56 -7.172 6.199 -4.138 1.00 0.00 C ATOM 847 OG SER A 56 -8.281 7.061 -4.328 1.00 0.00 O ATOM 0 H SER A 56 -7.935 4.494 -2.086 1.00 0.00 H new ATOM 0 HA SER A 56 -8.206 4.542 -5.034 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.683 6.433 -3.192 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.438 6.366 -4.926 1.00 0.00 H new ATOM 0 HG SER A 56 -7.977 7.992 -4.319 1.00 0.00 H new ATOM 853 N MET A 57 -6.195 3.136 -5.299 1.00 0.00 N ATOM 854 CA MET A 57 -5.060 2.235 -5.462 1.00 0.00 C ATOM 855 C MET A 57 -3.930 2.917 -6.226 1.00 0.00 C ATOM 856 O MET A 57 -4.172 3.758 -7.091 1.00 0.00 O ATOM 857 CB MET A 57 -5.493 0.963 -6.195 1.00 0.00 C ATOM 858 CG MET A 57 -6.309 0.013 -5.334 1.00 0.00 C ATOM 859 SD MET A 57 -6.747 -1.507 -6.200 1.00 0.00 S ATOM 860 CE MET A 57 -6.134 -2.739 -5.054 1.00 0.00 C ATOM 0 H MET A 57 -6.816 3.183 -6.107 1.00 0.00 H new ATOM 0 HA MET A 57 -4.694 1.968 -4.471 1.00 0.00 H new ATOM 0 HB2 MET A 57 -6.079 1.240 -7.071 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.606 0.442 -6.556 1.00 0.00 H new ATOM 0 HG2 MET A 57 -5.742 -0.235 -4.436 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.219 0.516 -5.008 1.00 0.00 H new ATOM 0 HE1 MET A 57 -5.548 -3.481 -5.597 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.505 -2.258 -4.305 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.975 -3.229 -4.562 1.00 0.00 H new ATOM 870 N ALA A 58 -2.695 2.549 -5.899 1.00 0.00 N ATOM 871 CA ALA A 58 -1.528 3.124 -6.556 1.00 0.00 C ATOM 872 C ALA A 58 -0.497 2.049 -6.884 1.00 0.00 C ATOM 873 O ALA A 58 -0.123 1.252 -6.023 1.00 0.00 O ATOM 874 CB ALA A 58 -0.908 4.204 -5.681 1.00 0.00 C ATOM 0 H ALA A 58 -2.477 1.856 -5.183 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.855 3.575 -7.493 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.037 4.625 -6.184 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.640 4.992 -5.502 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.602 3.770 -4.729 1.00 0.00 H new ATOM 880 N ARG A 59 -0.041 2.034 -8.132 1.00 0.00 N ATOM 881 CA ARG A 59 0.945 1.055 -8.573 1.00 0.00 C ATOM 882 C ARG A 59 2.363 1.561 -8.320 1.00 0.00 C ATOM 883 O ARG A 59 2.595 2.765 -8.221 1.00 0.00 O ATOM 884 CB ARG A 59 0.760 0.747 -10.060 1.00 0.00 C ATOM 885 CG ARG A 59 -0.501 -0.043 -10.366 1.00 0.00 C ATOM 886 CD ARG A 59 -1.012 0.244 -11.769 1.00 0.00 C ATOM 887 NE ARG A 59 -0.135 -0.314 -12.795 1.00 0.00 N ATOM 888 CZ ARG A 59 -0.066 -1.610 -13.078 1.00 0.00 C ATOM 889 NH1 ARG A 59 -0.818 -2.478 -12.415 1.00 0.00 N ATOM 890 NH2 ARG A 59 0.756 -2.041 -14.026 1.00 0.00 N ATOM 0 H ARG A 59 -0.339 2.689 -8.855 1.00 0.00 H new ATOM 0 HA ARG A 59 0.795 0.141 -7.999 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.735 1.684 -10.616 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.625 0.187 -10.417 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.298 -1.109 -10.263 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.273 0.206 -9.638 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.013 -0.172 -11.882 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.096 1.321 -11.911 1.00 0.00 H new ATOM 0 HE ARG A 59 0.457 0.327 -13.323 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.452 -2.151 -11.686 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.763 -3.473 -12.635 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.336 -1.377 -14.539 1.00 0.00 H new ATOM 0 HH22 ARG A 59 0.808 -3.036 -14.242 1.00 0.00 H new ATOM 904 N SER A 60 3.307 0.631 -8.215 1.00 0.00 N ATOM 905 CA SER A 60 4.701 0.981 -7.969 1.00 0.00 C ATOM 906 C SER A 60 5.638 -0.045 -8.598 1.00 0.00 C ATOM 907 O SER A 60 5.384 -1.247 -8.545 1.00 0.00 O ATOM 908 CB SER A 60 4.967 1.077 -6.465 1.00 0.00 C ATOM 909 OG SER A 60 6.286 1.527 -6.208 1.00 0.00 O ATOM 0 H SER A 60 3.132 -0.371 -8.296 1.00 0.00 H new ATOM 0 HA SER A 60 4.893 1.951 -8.427 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.251 1.760 -6.009 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.816 0.102 -6.003 1.00 0.00 H new ATOM 0 HG SER A 60 6.798 0.810 -5.779 1.00 0.00 H new ATOM 915 N GLN A 61 6.723 0.441 -9.193 1.00 0.00 N ATOM 916 CA GLN A 61 7.699 -0.433 -9.834 1.00 0.00 C ATOM 917 C GLN A 61 8.794 -0.837 -8.853 1.00 0.00 C ATOM 918 O GLN A 61 9.863 -1.299 -9.254 1.00 0.00 O ATOM 919 CB GLN A 61 8.316 0.261 -11.049 1.00 0.00 C ATOM 920 CG GLN A 61 7.348 0.433 -12.209 1.00 0.00 C ATOM 921 CD GLN A 61 8.054 0.691 -13.525 1.00 0.00 C ATOM 922 OE1 GLN A 61 8.407 1.828 -13.841 1.00 0.00 O ATOM 923 NE2 GLN A 61 8.265 -0.365 -14.301 1.00 0.00 N ATOM 0 H GLN A 61 6.948 1.434 -9.245 1.00 0.00 H new ATOM 0 HA GLN A 61 7.182 -1.334 -10.164 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.687 1.241 -10.748 1.00 0.00 H new ATOM 0 HB3 GLN A 61 9.177 -0.315 -11.388 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.734 -0.463 -12.300 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.673 1.262 -11.994 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.956 -1.289 -14.000 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.736 -0.252 -15.198 1.00 0.00 H new ATOM 932 N THR A 62 8.522 -0.661 -7.564 1.00 0.00 N ATOM 933 CA THR A 62 9.485 -1.005 -6.525 1.00 0.00 C ATOM 934 C THR A 62 8.783 -1.337 -5.213 1.00 0.00 C ATOM 935 O THR A 62 7.565 -1.212 -5.101 1.00 0.00 O ATOM 936 CB THR A 62 10.485 0.141 -6.284 1.00 0.00 C ATOM 937 OG1 THR A 62 11.244 -0.113 -5.096 1.00 0.00 O ATOM 938 CG2 THR A 62 9.761 1.473 -6.154 1.00 0.00 C ATOM 0 H THR A 62 7.642 -0.282 -7.214 1.00 0.00 H new ATOM 0 HA THR A 62 10.028 -1.883 -6.875 1.00 0.00 H new ATOM 0 HB THR A 62 11.157 0.193 -7.140 1.00 0.00 H new ATOM 0 HG1 THR A 62 12.068 0.418 -5.114 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.488 2.267 -5.984 1.00 0.00 H new ATOM 0 HG22 THR A 62 9.208 1.677 -7.071 1.00 0.00 H new ATOM 0 HG23 THR A 62 9.068 1.430 -5.314 1.00 0.00 H new ATOM 946 N ASN A 63 9.561 -1.760 -4.222 1.00 0.00 N ATOM 947 CA ASN A 63 9.014 -2.110 -2.916 1.00 0.00 C ATOM 948 C ASN A 63 8.792 -0.862 -2.067 1.00 0.00 C ATOM 949 O ASN A 63 8.608 -0.948 -0.853 1.00 0.00 O ATOM 950 CB ASN A 63 9.951 -3.075 -2.189 1.00 0.00 C ATOM 951 CG ASN A 63 9.630 -4.528 -2.486 1.00 0.00 C ATOM 952 OD1 ASN A 63 9.754 -4.982 -3.623 1.00 0.00 O ATOM 953 ND2 ASN A 63 9.214 -5.262 -1.461 1.00 0.00 N ATOM 0 H ASN A 63 10.572 -1.869 -4.298 1.00 0.00 H new ATOM 0 HA ASN A 63 8.052 -2.598 -3.072 1.00 0.00 H new ATOM 0 HB2 ASN A 63 10.980 -2.866 -2.481 1.00 0.00 H new ATOM 0 HB3 ASN A 63 9.883 -2.903 -1.115 1.00 0.00 H new ATOM 0 HD21 ASN A 63 8.982 -6.246 -1.599 1.00 0.00 H new ATOM 0 HD22 ASN A 63 9.126 -4.842 -0.535 1.00 0.00 H new ATOM 960 N THR A 64 8.809 0.299 -2.715 1.00 0.00 N ATOM 961 CA THR A 64 8.611 1.565 -2.021 1.00 0.00 C ATOM 962 C THR A 64 7.746 2.513 -2.843 1.00 0.00 C ATOM 963 O THR A 64 8.036 2.779 -4.009 1.00 0.00 O ATOM 964 CB THR A 64 9.954 2.252 -1.710 1.00 0.00 C ATOM 965 OG1 THR A 64 9.724 3.504 -1.054 1.00 0.00 O ATOM 966 CG2 THR A 64 10.753 2.480 -2.984 1.00 0.00 C ATOM 0 H THR A 64 8.958 0.388 -3.720 1.00 0.00 H new ATOM 0 HA THR A 64 8.104 1.335 -1.084 1.00 0.00 H new ATOM 0 HB THR A 64 10.527 1.598 -1.053 1.00 0.00 H new ATOM 0 HG1 THR A 64 9.158 3.362 -0.267 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.697 2.966 -2.739 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.952 1.522 -3.465 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.183 3.115 -3.662 1.00 0.00 H new ATOM 974 N ALA A 65 6.684 3.022 -2.227 1.00 0.00 N ATOM 975 CA ALA A 65 5.779 3.944 -2.902 1.00 0.00 C ATOM 976 C ALA A 65 5.240 4.992 -1.934 1.00 0.00 C ATOM 977 O ALA A 65 4.915 4.683 -0.788 1.00 0.00 O ATOM 978 CB ALA A 65 4.632 3.180 -3.547 1.00 0.00 C ATOM 0 H ALA A 65 6.429 2.811 -1.262 1.00 0.00 H new ATOM 0 HA ALA A 65 6.341 4.461 -3.680 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.964 3.881 -4.047 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.030 2.474 -4.276 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.080 2.637 -2.780 1.00 0.00 H new ATOM 984 N ARG A 66 5.150 6.233 -2.403 1.00 0.00 N ATOM 985 CA ARG A 66 4.653 7.327 -1.578 1.00 0.00 C ATOM 986 C ARG A 66 3.185 7.614 -1.882 1.00 0.00 C ATOM 987 O ARG A 66 2.766 7.594 -3.039 1.00 0.00 O ATOM 988 CB ARG A 66 5.489 8.588 -1.808 1.00 0.00 C ATOM 989 CG ARG A 66 4.891 9.837 -1.182 1.00 0.00 C ATOM 990 CD ARG A 66 5.446 11.100 -1.821 1.00 0.00 C ATOM 991 NE ARG A 66 6.869 11.275 -1.543 1.00 0.00 N ATOM 992 CZ ARG A 66 7.568 12.336 -1.929 1.00 0.00 C ATOM 993 NH1 ARG A 66 6.979 13.312 -2.605 1.00 0.00 N ATOM 994 NH2 ARG A 66 8.860 12.422 -1.638 1.00 0.00 N ATOM 0 H ARG A 66 5.415 6.505 -3.350 1.00 0.00 H new ATOM 0 HA ARG A 66 4.738 7.029 -0.533 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.488 8.431 -1.401 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.603 8.748 -2.880 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.807 9.818 -1.293 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.102 9.846 -0.113 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.290 11.059 -2.899 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.895 11.965 -1.451 1.00 0.00 H new ATOM 0 HE ARG A 66 7.352 10.542 -1.024 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.986 13.249 -2.830 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.519 14.126 -2.900 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.317 11.673 -1.118 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.396 13.237 -1.935 1.00 0.00 H new ATOM 1008 N ILE A 67 2.411 7.880 -0.835 1.00 0.00 N ATOM 1009 CA ILE A 67 0.991 8.171 -0.990 1.00 0.00 C ATOM 1010 C ILE A 67 0.717 9.663 -0.837 1.00 0.00 C ATOM 1011 O ILE A 67 1.113 10.280 0.152 1.00 0.00 O ATOM 1012 CB ILE A 67 0.142 7.396 0.035 1.00 0.00 C ATOM 1013 CG1 ILE A 67 0.679 5.973 0.203 1.00 0.00 C ATOM 1014 CG2 ILE A 67 -1.316 7.370 -0.398 1.00 0.00 C ATOM 1015 CD1 ILE A 67 0.427 5.087 -0.996 1.00 0.00 C ATOM 0 H ILE A 67 2.743 7.900 0.129 1.00 0.00 H new ATOM 0 HA ILE A 67 0.711 7.853 -1.994 1.00 0.00 H new ATOM 0 HB ILE A 67 0.206 7.904 0.997 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.751 6.018 0.392 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.219 5.521 1.082 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.904 6.819 0.336 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.692 8.390 -0.472 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.398 6.882 -1.369 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.834 4.094 -0.807 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.646 5.011 -1.174 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.911 5.516 -1.874 1.00 0.00 H new ATOM 1027 N ASP A 68 0.034 10.237 -1.822 1.00 0.00 N ATOM 1028 CA ASP A 68 -0.297 11.657 -1.796 1.00 0.00 C ATOM 1029 C ASP A 68 -1.798 11.868 -1.971 1.00 0.00 C ATOM 1030 O ASP A 68 -2.467 11.099 -2.659 1.00 0.00 O ATOM 1031 CB ASP A 68 0.466 12.401 -2.892 1.00 0.00 C ATOM 1032 CG ASP A 68 0.300 11.755 -4.254 1.00 0.00 C ATOM 1033 OD1 ASP A 68 -0.704 12.055 -4.934 1.00 0.00 O ATOM 1034 OD2 ASP A 68 1.174 10.951 -4.639 1.00 0.00 O ATOM 0 H ASP A 68 -0.301 9.741 -2.648 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.003 12.056 -0.825 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.117 13.433 -2.937 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.525 12.434 -2.635 1.00 0.00 H new ATOM 1039 N GLY A 69 -2.321 12.917 -1.342 1.00 0.00 N ATOM 1040 CA GLY A 69 -3.739 13.210 -1.441 1.00 0.00 C ATOM 1041 C GLY A 69 -4.486 12.891 -0.161 1.00 0.00 C ATOM 1042 O GLY A 69 -5.589 12.343 -0.198 1.00 0.00 O ATOM 0 H GLY A 69 -1.788 13.569 -0.766 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.873 14.264 -1.684 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -4.169 12.637 -2.262 1.00 0.00 H new ATOM 1046 N LEU A 70 -3.886 13.232 0.974 1.00 0.00 N ATOM 1047 CA LEU A 70 -4.502 12.978 2.271 1.00 0.00 C ATOM 1048 C LEU A 70 -4.625 14.267 3.078 1.00 0.00 C ATOM 1049 O LEU A 70 -4.181 15.328 2.641 1.00 0.00 O ATOM 1050 CB LEU A 70 -3.682 11.950 3.054 1.00 0.00 C ATOM 1051 CG LEU A 70 -3.079 10.808 2.234 1.00 0.00 C ATOM 1052 CD1 LEU A 70 -2.000 10.092 3.031 1.00 0.00 C ATOM 1053 CD2 LEU A 70 -4.163 9.832 1.801 1.00 0.00 C ATOM 0 H LEU A 70 -2.973 13.685 1.022 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.503 12.582 2.099 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.872 12.472 3.563 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.319 11.519 3.827 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.621 11.230 1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.582 9.283 2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.210 10.797 3.290 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.433 9.682 3.943 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.716 9.026 1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.651 9.415 2.682 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.900 10.354 1.191 1.00 0.00 H new ATOM 1065 N ARG A 71 -5.229 14.165 4.257 1.00 0.00 N ATOM 1066 CA ARG A 71 -5.410 15.322 5.125 1.00 0.00 C ATOM 1067 C ARG A 71 -4.459 15.261 6.317 1.00 0.00 C ATOM 1068 O ARG A 71 -4.073 14.188 6.781 1.00 0.00 O ATOM 1069 CB ARG A 71 -6.856 15.397 5.617 1.00 0.00 C ATOM 1070 CG ARG A 71 -7.881 15.408 4.494 1.00 0.00 C ATOM 1071 CD ARG A 71 -8.197 16.825 4.042 1.00 0.00 C ATOM 1072 NE ARG A 71 -8.841 17.605 5.095 1.00 0.00 N ATOM 1073 CZ ARG A 71 -9.239 18.863 4.939 1.00 0.00 C ATOM 1074 NH1 ARG A 71 -9.060 19.479 3.779 1.00 0.00 N ATOM 1075 NH2 ARG A 71 -9.819 19.506 5.944 1.00 0.00 N ATOM 0 H ARG A 71 -5.601 13.293 4.633 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.184 16.217 4.546 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.054 14.547 6.270 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.980 16.297 6.220 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.503 14.831 3.650 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.796 14.920 4.830 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.276 17.321 3.735 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.847 16.790 3.168 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.994 17.160 6.000 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.616 18.987 3.004 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.366 20.445 3.662 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.960 19.035 6.838 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -10.124 20.472 5.823 1.00 0.00 H new ATOM 1089 N PRO A 72 -4.071 16.440 6.826 1.00 0.00 N ATOM 1090 CA PRO A 72 -3.161 16.548 7.970 1.00 0.00 C ATOM 1091 C PRO A 72 -3.809 16.089 9.272 1.00 0.00 C ATOM 1092 O PRO A 72 -4.968 16.398 9.542 1.00 0.00 O ATOM 1093 CB PRO A 72 -2.842 18.044 8.030 1.00 0.00 C ATOM 1094 CG PRO A 72 -4.011 18.707 7.388 1.00 0.00 C ATOM 1095 CD PRO A 72 -4.491 17.759 6.324 1.00 0.00 C ATOM 0 HA PRO A 72 -2.281 15.915 7.852 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.712 18.380 9.059 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -1.917 18.273 7.501 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -4.796 18.905 8.117 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -3.727 19.667 6.956 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.572 17.814 6.195 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.043 17.982 5.356 1.00 0.00 H new ATOM 1103 N GLY A 73 -3.051 15.348 10.075 1.00 0.00 N ATOM 1104 CA GLY A 73 -3.570 14.859 11.340 1.00 0.00 C ATOM 1105 C GLY A 73 -4.696 13.861 11.157 1.00 0.00 C ATOM 1106 O GLY A 73 -5.734 13.961 11.810 1.00 0.00 O ATOM 0 H GLY A 73 -2.088 15.078 9.873 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.763 14.392 11.904 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.928 15.701 11.933 1.00 0.00 H new ATOM 1110 N MET A 74 -4.492 12.897 10.265 1.00 0.00 N ATOM 1111 CA MET A 74 -5.500 11.877 9.999 1.00 0.00 C ATOM 1112 C MET A 74 -4.857 10.501 9.858 1.00 0.00 C ATOM 1113 O MET A 74 -3.656 10.388 9.616 1.00 0.00 O ATOM 1114 CB MET A 74 -6.280 12.221 8.728 1.00 0.00 C ATOM 1115 CG MET A 74 -7.391 13.233 8.952 1.00 0.00 C ATOM 1116 SD MET A 74 -8.852 12.503 9.716 1.00 0.00 S ATOM 1117 CE MET A 74 -9.421 11.428 8.400 1.00 0.00 C ATOM 0 H MET A 74 -3.639 12.801 9.715 1.00 0.00 H new ATOM 0 HA MET A 74 -6.188 11.852 10.844 1.00 0.00 H new ATOM 0 HB2 MET A 74 -5.588 12.612 7.982 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.709 11.307 8.317 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.020 14.040 9.584 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.669 13.678 7.997 1.00 0.00 H new ATOM 0 HE1 MET A 74 -10.481 11.213 8.538 1.00 0.00 H new ATOM 0 HE2 MET A 74 -9.273 11.920 7.439 1.00 0.00 H new ATOM 0 HE3 MET A 74 -8.856 10.496 8.421 1.00 0.00 H new ATOM 1127 N VAL A 75 -5.665 9.457 10.013 1.00 0.00 N ATOM 1128 CA VAL A 75 -5.175 8.088 9.903 1.00 0.00 C ATOM 1129 C VAL A 75 -5.636 7.443 8.601 1.00 0.00 C ATOM 1130 O VAL A 75 -6.799 7.560 8.215 1.00 0.00 O ATOM 1131 CB VAL A 75 -5.650 7.225 11.087 1.00 0.00 C ATOM 1132 CG1 VAL A 75 -5.052 5.828 11.003 1.00 0.00 C ATOM 1133 CG2 VAL A 75 -5.290 7.889 12.407 1.00 0.00 C ATOM 0 H VAL A 75 -6.662 9.533 10.215 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.086 8.139 9.914 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.735 7.134 11.036 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.399 5.232 11.848 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.364 5.354 10.072 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.964 5.896 11.029 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.633 7.266 13.233 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.209 8.012 12.470 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.770 8.866 12.466 1.00 0.00 H new ATOM 1143 N TYR A 76 -4.716 6.760 7.928 1.00 0.00 N ATOM 1144 CA TYR A 76 -5.027 6.097 6.667 1.00 0.00 C ATOM 1145 C TYR A 76 -4.474 4.675 6.648 1.00 0.00 C ATOM 1146 O TYR A 76 -3.280 4.458 6.855 1.00 0.00 O ATOM 1147 CB TYR A 76 -4.456 6.893 5.493 1.00 0.00 C ATOM 1148 CG TYR A 76 -5.128 8.232 5.286 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -4.781 9.333 6.060 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -6.108 8.396 4.315 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -5.393 10.557 5.874 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -6.724 9.618 4.121 1.00 0.00 C ATOM 1153 CZ TYR A 76 -6.364 10.695 4.904 1.00 0.00 C ATOM 1154 OH TYR A 76 -6.975 11.913 4.715 1.00 0.00 O ATOM 0 H TYR A 76 -3.749 6.651 8.235 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.112 6.047 6.570 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.390 7.052 5.657 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.554 6.302 4.582 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -4.020 9.230 6.819 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -6.393 7.554 3.701 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -5.113 11.402 6.485 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.483 9.729 3.361 1.00 0.00 H new ATOM 0 HH TYR A 76 -7.634 11.840 3.993 1.00 0.00 H new ATOM 1164 N VAL A 77 -5.351 3.709 6.398 1.00 0.00 N ATOM 1165 CA VAL A 77 -4.952 2.307 6.350 1.00 0.00 C ATOM 1166 C VAL A 77 -4.364 1.949 4.990 1.00 0.00 C ATOM 1167 O VAL A 77 -5.087 1.834 4.000 1.00 0.00 O ATOM 1168 CB VAL A 77 -6.142 1.374 6.644 1.00 0.00 C ATOM 1169 CG1 VAL A 77 -5.681 -0.073 6.717 1.00 0.00 C ATOM 1170 CG2 VAL A 77 -6.836 1.787 7.934 1.00 0.00 C ATOM 0 H VAL A 77 -6.343 3.871 6.225 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.192 2.168 7.119 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.859 1.460 5.828 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.535 -0.717 6.925 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.233 -0.361 5.766 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.943 -0.180 7.512 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.674 1.117 8.127 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.129 1.731 8.762 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.203 2.809 7.839 1.00 0.00 H new ATOM 1180 N VAL A 78 -3.047 1.774 4.948 1.00 0.00 N ATOM 1181 CA VAL A 78 -2.361 1.427 3.709 1.00 0.00 C ATOM 1182 C VAL A 78 -1.849 -0.008 3.748 1.00 0.00 C ATOM 1183 O VAL A 78 -1.429 -0.499 4.795 1.00 0.00 O ATOM 1184 CB VAL A 78 -1.178 2.376 3.438 1.00 0.00 C ATOM 1185 CG1 VAL A 78 -0.583 2.109 2.064 1.00 0.00 C ATOM 1186 CG2 VAL A 78 -1.619 3.826 3.565 1.00 0.00 C ATOM 0 H VAL A 78 -2.434 1.867 5.758 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.090 1.528 2.904 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.406 2.189 4.184 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.251 2.789 1.890 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.228 1.079 2.015 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.345 2.267 1.301 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.771 4.483 3.370 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.409 4.030 2.843 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.993 4.006 4.573 1.00 0.00 H new ATOM 1196 N GLN A 79 -1.887 -0.675 2.599 1.00 0.00 N ATOM 1197 CA GLN A 79 -1.426 -2.055 2.502 1.00 0.00 C ATOM 1198 C GLN A 79 -0.626 -2.273 1.222 1.00 0.00 C ATOM 1199 O GLN A 79 -0.441 -1.351 0.429 1.00 0.00 O ATOM 1200 CB GLN A 79 -2.616 -3.016 2.543 1.00 0.00 C ATOM 1201 CG GLN A 79 -3.295 -3.086 3.902 1.00 0.00 C ATOM 1202 CD GLN A 79 -4.712 -3.617 3.819 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -4.861 -4.930 3.950 1.00 0.00 O flip ATOM 1204 NE2 GLN A 79 -5.663 -2.856 3.639 1.00 0.00 N flip ATOM 0 H GLN A 79 -2.232 -0.283 1.723 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.776 -2.255 3.354 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -3.347 -2.707 1.796 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -2.277 -4.013 2.264 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -2.710 -3.725 4.564 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -3.309 -2.092 4.349 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -5.503 -1.853 3.544 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -6.611 -3.228 3.585 1.00 0.00 H new ATOM 1213 N VAL A 80 -0.152 -3.500 1.028 1.00 0.00 N ATOM 1214 CA VAL A 80 0.628 -3.840 -0.156 1.00 0.00 C ATOM 1215 C VAL A 80 0.554 -5.333 -0.453 1.00 0.00 C ATOM 1216 O VAL A 80 0.614 -6.161 0.456 1.00 0.00 O ATOM 1217 CB VAL A 80 2.105 -3.433 0.010 1.00 0.00 C ATOM 1218 CG1 VAL A 80 2.804 -4.351 1.001 1.00 0.00 C ATOM 1219 CG2 VAL A 80 2.815 -3.448 -1.336 1.00 0.00 C ATOM 0 H VAL A 80 -0.295 -4.275 1.676 1.00 0.00 H new ATOM 0 HA VAL A 80 0.197 -3.285 -0.989 1.00 0.00 H new ATOM 0 HB VAL A 80 2.142 -2.417 0.404 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.846 -4.048 1.105 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.309 -4.285 1.970 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.759 -5.378 0.639 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.857 -3.158 -1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.769 -4.451 -1.760 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.328 -2.746 -2.012 1.00 0.00 H new ATOM 1229 N ARG A 81 0.423 -5.671 -1.732 1.00 0.00 N ATOM 1230 CA ARG A 81 0.340 -7.065 -2.150 1.00 0.00 C ATOM 1231 C ARG A 81 1.301 -7.346 -3.301 1.00 0.00 C ATOM 1232 O ARG A 81 1.786 -6.424 -3.957 1.00 0.00 O ATOM 1233 CB ARG A 81 -1.090 -7.409 -2.569 1.00 0.00 C ATOM 1234 CG ARG A 81 -1.604 -6.569 -3.727 1.00 0.00 C ATOM 1235 CD ARG A 81 -2.648 -7.320 -4.540 1.00 0.00 C ATOM 1236 NE ARG A 81 -3.437 -6.422 -5.379 1.00 0.00 N ATOM 1237 CZ ARG A 81 -2.966 -5.839 -6.476 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -1.717 -6.057 -6.863 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -3.746 -5.035 -7.187 1.00 0.00 N ATOM 0 H ARG A 81 0.372 -4.998 -2.497 1.00 0.00 H new ATOM 0 HA ARG A 81 0.623 -7.690 -1.303 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.135 -8.462 -2.847 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.752 -7.277 -1.713 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.036 -5.644 -3.344 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.771 -6.289 -4.372 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.154 -8.062 -5.167 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.311 -7.863 -3.866 1.00 0.00 H new ATOM 0 HE ARG A 81 -4.402 -6.232 -5.108 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.115 -6.674 -6.318 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.358 -5.608 -7.706 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.707 -4.864 -6.891 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.384 -4.587 -8.029 1.00 0.00 H new ATOM 1253 N ALA A 82 1.572 -8.625 -3.540 1.00 0.00 N ATOM 1254 CA ALA A 82 2.474 -9.027 -4.613 1.00 0.00 C ATOM 1255 C ALA A 82 1.705 -9.663 -5.766 1.00 0.00 C ATOM 1256 O ALA A 82 0.944 -10.610 -5.570 1.00 0.00 O ATOM 1257 CB ALA A 82 3.527 -9.990 -4.084 1.00 0.00 C ATOM 0 H ALA A 82 1.180 -9.400 -3.005 1.00 0.00 H new ATOM 0 HA ALA A 82 2.971 -8.134 -4.991 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.194 -10.282 -4.896 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.104 -9.502 -3.298 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.039 -10.876 -3.679 1.00 0.00 H new ATOM 1263 N ARG A 83 1.909 -9.135 -6.969 1.00 0.00 N ATOM 1264 CA ARG A 83 1.233 -9.650 -8.154 1.00 0.00 C ATOM 1265 C ARG A 83 2.233 -10.284 -9.117 1.00 0.00 C ATOM 1266 O ARG A 83 3.379 -9.844 -9.219 1.00 0.00 O ATOM 1267 CB ARG A 83 0.470 -8.527 -8.860 1.00 0.00 C ATOM 1268 CG ARG A 83 -0.385 -9.009 -10.020 1.00 0.00 C ATOM 1269 CD ARG A 83 -0.873 -7.848 -10.872 1.00 0.00 C ATOM 1270 NE ARG A 83 0.181 -7.321 -11.735 1.00 0.00 N ATOM 1271 CZ ARG A 83 -0.054 -6.656 -12.860 1.00 0.00 C ATOM 1272 NH1 ARG A 83 -1.300 -6.436 -13.256 1.00 0.00 N ATOM 1273 NH2 ARG A 83 0.959 -6.208 -13.592 1.00 0.00 N ATOM 0 H ARG A 83 2.537 -8.351 -7.148 1.00 0.00 H new ATOM 0 HA ARG A 83 0.526 -10.416 -7.835 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.168 -8.021 -8.135 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.183 -7.789 -9.227 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.192 -9.697 -10.637 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.240 -9.565 -9.637 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.713 -8.176 -11.485 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.242 -7.053 -10.224 1.00 0.00 H new ATOM 0 HE ARG A 83 1.151 -7.472 -11.458 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.081 -6.778 -12.696 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.478 -5.925 -14.121 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.919 -6.375 -13.290 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.777 -5.697 -14.456 1.00 0.00 H new ATOM 1287 N THR A 84 1.791 -11.321 -9.822 1.00 0.00 N ATOM 1288 CA THR A 84 2.646 -12.017 -10.775 1.00 0.00 C ATOM 1289 C THR A 84 1.854 -12.466 -11.998 1.00 0.00 C ATOM 1290 O THR A 84 0.639 -12.284 -12.064 1.00 0.00 O ATOM 1291 CB THR A 84 3.319 -13.245 -10.133 1.00 0.00 C ATOM 1292 OG1 THR A 84 2.340 -14.254 -9.860 1.00 0.00 O ATOM 1293 CG2 THR A 84 4.031 -12.861 -8.845 1.00 0.00 C ATOM 0 H THR A 84 0.846 -11.697 -9.751 1.00 0.00 H new ATOM 0 HA THR A 84 3.416 -11.310 -11.084 1.00 0.00 H new ATOM 0 HB THR A 84 4.056 -13.635 -10.835 1.00 0.00 H new ATOM 0 HG1 THR A 84 2.776 -15.032 -9.454 1.00 0.00 H new ATOM 0 HG21 THR A 84 4.498 -13.745 -8.410 1.00 0.00 H new ATOM 0 HG22 THR A 84 4.796 -12.115 -9.061 1.00 0.00 H new ATOM 0 HG23 THR A 84 3.310 -12.448 -8.140 1.00 0.00 H new ATOM 1301 N VAL A 85 2.551 -13.056 -12.964 1.00 0.00 N ATOM 1302 CA VAL A 85 1.912 -13.534 -14.184 1.00 0.00 C ATOM 1303 C VAL A 85 0.845 -14.578 -13.874 1.00 0.00 C ATOM 1304 O VAL A 85 0.052 -14.946 -14.740 1.00 0.00 O ATOM 1305 CB VAL A 85 2.941 -14.141 -15.156 1.00 0.00 C ATOM 1306 CG1 VAL A 85 3.504 -15.439 -14.596 1.00 0.00 C ATOM 1307 CG2 VAL A 85 2.314 -14.369 -16.523 1.00 0.00 C ATOM 0 H VAL A 85 3.558 -13.214 -12.925 1.00 0.00 H new ATOM 0 HA VAL A 85 1.444 -12.670 -14.655 1.00 0.00 H new ATOM 0 HB VAL A 85 3.764 -13.436 -15.272 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.229 -15.853 -15.296 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.993 -15.242 -13.642 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.694 -16.153 -14.448 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.056 -14.798 -17.197 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.471 -15.054 -16.427 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.965 -13.418 -16.926 1.00 0.00 H new ATOM 1317 N ALA A 86 0.832 -15.051 -12.632 1.00 0.00 N ATOM 1318 CA ALA A 86 -0.139 -16.051 -12.206 1.00 0.00 C ATOM 1319 C ALA A 86 -1.456 -15.398 -11.797 1.00 0.00 C ATOM 1320 O ALA A 86 -2.528 -15.815 -12.232 1.00 0.00 O ATOM 1321 CB ALA A 86 0.422 -16.876 -11.058 1.00 0.00 C ATOM 0 H ALA A 86 1.483 -14.758 -11.903 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.338 -16.711 -13.050 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.314 -17.619 -10.750 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.332 -17.380 -11.383 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.650 -16.221 -10.217 1.00 0.00 H new ATOM 1327 N GLY A 87 -1.366 -14.372 -10.957 1.00 0.00 N ATOM 1328 CA GLY A 87 -2.558 -13.679 -10.502 1.00 0.00 C ATOM 1329 C GLY A 87 -2.241 -12.551 -9.541 1.00 0.00 C ATOM 1330 O GLY A 87 -1.332 -11.757 -9.782 1.00 0.00 O ATOM 0 H GLY A 87 -0.490 -14.008 -10.583 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -3.093 -13.279 -11.363 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.225 -14.391 -10.015 1.00 0.00 H new ATOM 1334 N TYR A 88 -2.994 -12.478 -8.449 1.00 0.00 N ATOM 1335 CA TYR A 88 -2.792 -11.436 -7.449 1.00 0.00 C ATOM 1336 C TYR A 88 -2.514 -12.043 -6.078 1.00 0.00 C ATOM 1337 O TYR A 88 -3.032 -13.107 -5.741 1.00 0.00 O ATOM 1338 CB TYR A 88 -4.018 -10.524 -7.377 1.00 0.00 C ATOM 1339 CG TYR A 88 -4.012 -9.419 -8.408 1.00 0.00 C ATOM 1340 CD1 TYR A 88 -3.325 -8.233 -8.181 1.00 0.00 C ATOM 1341 CD2 TYR A 88 -4.694 -9.560 -9.611 1.00 0.00 C ATOM 1342 CE1 TYR A 88 -3.318 -7.220 -9.120 1.00 0.00 C ATOM 1343 CE2 TYR A 88 -4.691 -8.553 -10.556 1.00 0.00 C ATOM 1344 CZ TYR A 88 -4.002 -7.385 -10.306 1.00 0.00 C ATOM 1345 OH TYR A 88 -3.996 -6.378 -11.245 1.00 0.00 O ATOM 0 H TYR A 88 -3.750 -13.128 -8.234 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.926 -10.845 -7.747 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -4.917 -11.127 -7.508 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -4.073 -10.081 -6.383 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.787 -8.101 -7.254 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -5.236 -10.473 -9.810 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.780 -6.304 -8.926 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.225 -8.680 -11.486 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.524 -6.653 -12.023 1.00 0.00 H new ATOM 1355 N GLY A 89 -1.692 -11.357 -5.289 1.00 0.00 N ATOM 1356 CA GLY A 89 -1.359 -11.843 -3.963 1.00 0.00 C ATOM 1357 C GLY A 89 -2.190 -11.185 -2.879 1.00 0.00 C ATOM 1358 O GLY A 89 -2.872 -10.190 -3.126 1.00 0.00 O ATOM 0 H GLY A 89 -1.251 -10.474 -5.545 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.509 -12.922 -3.927 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.302 -11.661 -3.767 1.00 0.00 H new ATOM 1362 N LYS A 90 -2.136 -11.743 -1.674 1.00 0.00 N ATOM 1363 CA LYS A 90 -2.890 -11.206 -0.548 1.00 0.00 C ATOM 1364 C LYS A 90 -2.261 -9.912 -0.039 1.00 0.00 C ATOM 1365 O LYS A 90 -1.153 -9.551 -0.436 1.00 0.00 O ATOM 1366 CB LYS A 90 -2.955 -12.233 0.585 1.00 0.00 C ATOM 1367 CG LYS A 90 -3.995 -13.317 0.363 1.00 0.00 C ATOM 1368 CD LYS A 90 -3.412 -14.505 -0.384 1.00 0.00 C ATOM 1369 CE LYS A 90 -2.832 -15.535 0.574 1.00 0.00 C ATOM 1370 NZ LYS A 90 -1.864 -16.441 -0.105 1.00 0.00 N ATOM 0 H LYS A 90 -1.578 -12.567 -1.453 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.901 -10.988 -0.891 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.976 -12.698 0.699 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.174 -11.717 1.520 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -4.388 -13.648 1.324 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -4.834 -12.908 -0.200 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.187 -14.969 -0.993 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.634 -14.161 -1.066 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.335 -15.024 1.399 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -3.640 -16.125 1.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.491 -17.128 0.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.345 -16.947 -0.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.079 -15.881 -0.495 1.00 0.00 H new ATOM 1384 N PHE A 91 -2.975 -9.219 0.841 1.00 0.00 N ATOM 1385 CA PHE A 91 -2.486 -7.966 1.404 1.00 0.00 C ATOM 1386 C PHE A 91 -1.710 -8.215 2.694 1.00 0.00 C ATOM 1387 O PHE A 91 -2.063 -9.089 3.485 1.00 0.00 O ATOM 1388 CB PHE A 91 -3.653 -7.014 1.674 1.00 0.00 C ATOM 1389 CG PHE A 91 -4.000 -6.142 0.501 1.00 0.00 C ATOM 1390 CD1 PHE A 91 -3.085 -5.225 0.009 1.00 0.00 C ATOM 1391 CD2 PHE A 91 -5.239 -6.240 -0.110 1.00 0.00 C ATOM 1392 CE1 PHE A 91 -3.402 -4.421 -1.070 1.00 0.00 C ATOM 1393 CE2 PHE A 91 -5.561 -5.440 -1.189 1.00 0.00 C ATOM 1394 CZ PHE A 91 -4.641 -4.530 -1.671 1.00 0.00 C ATOM 0 H PHE A 91 -3.894 -9.504 1.180 1.00 0.00 H new ATOM 0 HA PHE A 91 -1.813 -7.509 0.678 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.530 -7.598 1.955 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -3.405 -6.381 2.526 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.114 -5.137 0.473 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.962 -6.951 0.262 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.681 -3.708 -1.443 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.531 -5.526 -1.655 1.00 0.00 H new ATOM 0 HZ PHE A 91 -4.890 -3.905 -2.516 1.00 0.00 H new ATOM 1404 N SER A 92 -0.649 -7.440 2.899 1.00 0.00 N ATOM 1405 CA SER A 92 0.181 -7.579 4.089 1.00 0.00 C ATOM 1406 C SER A 92 -0.582 -7.144 5.337 1.00 0.00 C ATOM 1407 O SER A 92 -1.696 -6.628 5.249 1.00 0.00 O ATOM 1408 CB SER A 92 1.459 -6.751 3.945 1.00 0.00 C ATOM 1409 OG SER A 92 1.159 -5.383 3.729 1.00 0.00 O ATOM 0 H SER A 92 -0.344 -6.709 2.256 1.00 0.00 H new ATOM 0 HA SER A 92 0.448 -8.631 4.195 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.067 -6.856 4.844 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.051 -7.132 3.113 1.00 0.00 H new ATOM 0 HG SER A 92 1.253 -4.891 4.571 1.00 0.00 H new ATOM 1415 N GLY A 93 0.026 -7.358 6.500 1.00 0.00 N ATOM 1416 CA GLY A 93 -0.609 -6.983 7.750 1.00 0.00 C ATOM 1417 C GLY A 93 -1.174 -5.576 7.714 1.00 0.00 C ATOM 1418 O GLY A 93 -0.436 -4.607 7.539 1.00 0.00 O ATOM 0 H GLY A 93 0.947 -7.785 6.599 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.410 -7.687 7.973 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.117 -7.059 8.560 1.00 0.00 H new ATOM 1422 N LYS A 94 -2.488 -5.464 7.878 1.00 0.00 N ATOM 1423 CA LYS A 94 -3.152 -4.166 7.864 1.00 0.00 C ATOM 1424 C LYS A 94 -2.444 -3.181 8.789 1.00 0.00 C ATOM 1425 O LYS A 94 -2.339 -3.412 9.993 1.00 0.00 O ATOM 1426 CB LYS A 94 -4.616 -4.315 8.285 1.00 0.00 C ATOM 1427 CG LYS A 94 -5.547 -4.661 7.136 1.00 0.00 C ATOM 1428 CD LYS A 94 -6.974 -4.867 7.617 1.00 0.00 C ATOM 1429 CE LYS A 94 -7.949 -4.941 6.453 1.00 0.00 C ATOM 1430 NZ LYS A 94 -9.134 -5.785 6.774 1.00 0.00 N ATOM 0 H LYS A 94 -3.114 -6.256 8.022 1.00 0.00 H new ATOM 0 HA LYS A 94 -3.110 -3.776 6.847 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -4.689 -5.091 9.047 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.950 -3.385 8.744 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.524 -3.862 6.395 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.195 -5.566 6.641 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.033 -5.785 8.201 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.258 -4.049 8.279 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -8.279 -3.936 6.192 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.440 -5.347 5.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -9.774 -5.810 5.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.821 -6.751 6.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.634 -5.384 7.593 1.00 0.00 H new ATOM 1444 N MET A 95 -1.960 -2.083 8.218 1.00 0.00 N ATOM 1445 CA MET A 95 -1.265 -1.062 8.993 1.00 0.00 C ATOM 1446 C MET A 95 -1.945 0.294 8.841 1.00 0.00 C ATOM 1447 O MET A 95 -2.629 0.548 7.848 1.00 0.00 O ATOM 1448 CB MET A 95 0.197 -0.965 8.552 1.00 0.00 C ATOM 1449 CG MET A 95 1.133 -0.486 9.650 1.00 0.00 C ATOM 1450 SD MET A 95 1.708 -1.829 10.707 1.00 0.00 S ATOM 1451 CE MET A 95 2.756 -2.731 9.567 1.00 0.00 C ATOM 0 H MET A 95 -2.036 -1.878 7.222 1.00 0.00 H new ATOM 0 HA MET A 95 -1.302 -1.351 10.043 1.00 0.00 H new ATOM 0 HB2 MET A 95 0.529 -1.943 8.204 1.00 0.00 H new ATOM 0 HB3 MET A 95 0.268 -0.285 7.703 1.00 0.00 H new ATOM 0 HG2 MET A 95 1.993 0.010 9.199 1.00 0.00 H new ATOM 0 HG3 MET A 95 0.620 0.258 10.260 1.00 0.00 H new ATOM 0 HE1 MET A 95 2.402 -3.759 9.483 1.00 0.00 H new ATOM 0 HE2 MET A 95 2.723 -2.254 8.587 1.00 0.00 H new ATOM 0 HE3 MET A 95 3.781 -2.729 9.936 1.00 0.00 H new ATOM 1461 N CYS A 96 -1.754 1.161 9.829 1.00 0.00 N ATOM 1462 CA CYS A 96 -2.351 2.492 9.805 1.00 0.00 C ATOM 1463 C CYS A 96 -1.281 3.570 9.941 1.00 0.00 C ATOM 1464 O CYS A 96 -0.633 3.688 10.981 1.00 0.00 O ATOM 1465 CB CYS A 96 -3.380 2.632 10.928 1.00 0.00 C ATOM 1466 SG CYS A 96 -2.701 2.391 12.586 1.00 0.00 S ATOM 0 H CYS A 96 -1.191 0.966 10.657 1.00 0.00 H new ATOM 0 HA CYS A 96 -2.852 2.622 8.846 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -3.830 3.623 10.872 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -4.179 1.909 10.766 1.00 0.00 H new ATOM 0 HG CYS A 96 -1.447 2.732 12.595 1.00 0.00 H new ATOM 1472 N PHE A 97 -1.101 4.354 8.884 1.00 0.00 N ATOM 1473 CA PHE A 97 -0.107 5.421 8.884 1.00 0.00 C ATOM 1474 C PHE A 97 -0.780 6.791 8.860 1.00 0.00 C ATOM 1475 O PHE A 97 -1.507 7.120 7.924 1.00 0.00 O ATOM 1476 CB PHE A 97 0.826 5.278 7.680 1.00 0.00 C ATOM 1477 CG PHE A 97 1.567 3.972 7.647 1.00 0.00 C ATOM 1478 CD1 PHE A 97 2.780 3.831 8.301 1.00 0.00 C ATOM 1479 CD2 PHE A 97 1.049 2.885 6.961 1.00 0.00 C ATOM 1480 CE1 PHE A 97 3.463 2.630 8.273 1.00 0.00 C ATOM 1481 CE2 PHE A 97 1.728 1.681 6.930 1.00 0.00 C ATOM 1482 CZ PHE A 97 2.937 1.554 7.586 1.00 0.00 C ATOM 0 H PHE A 97 -1.630 4.271 8.016 1.00 0.00 H new ATOM 0 HA PHE A 97 0.478 5.339 9.800 1.00 0.00 H new ATOM 0 HB2 PHE A 97 0.243 5.379 6.765 1.00 0.00 H new ATOM 0 HB3 PHE A 97 1.547 6.095 7.690 1.00 0.00 H new ATOM 0 HD1 PHE A 97 3.197 4.670 8.839 1.00 0.00 H new ATOM 0 HD2 PHE A 97 0.105 2.979 6.445 1.00 0.00 H new ATOM 0 HE1 PHE A 97 4.407 2.533 8.788 1.00 0.00 H new ATOM 0 HE2 PHE A 97 1.313 0.840 6.393 1.00 0.00 H new ATOM 0 HZ PHE A 97 3.470 0.615 7.562 1.00 0.00 H new ATOM 1492 N GLN A 98 -0.531 7.583 9.898 1.00 0.00 N ATOM 1493 CA GLN A 98 -1.114 8.916 9.997 1.00 0.00 C ATOM 1494 C GLN A 98 -0.157 9.971 9.450 1.00 0.00 C ATOM 1495 O GLN A 98 1.052 9.749 9.375 1.00 0.00 O ATOM 1496 CB GLN A 98 -1.466 9.235 11.451 1.00 0.00 C ATOM 1497 CG GLN A 98 -0.290 9.101 12.405 1.00 0.00 C ATOM 1498 CD GLN A 98 -0.633 9.530 13.818 1.00 0.00 C ATOM 1499 OE1 GLN A 98 -0.411 8.787 14.775 1.00 0.00 O ATOM 1500 NE2 GLN A 98 -1.176 10.733 13.957 1.00 0.00 N ATOM 0 H GLN A 98 0.070 7.325 10.681 1.00 0.00 H new ATOM 0 HA GLN A 98 -2.025 8.932 9.398 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -1.855 10.252 11.507 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -2.265 8.570 11.777 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.048 8.065 12.416 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.541 9.703 12.038 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -1.342 11.315 13.136 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -1.427 11.075 14.885 1.00 0.00 H new ATOM 1509 N THR A 99 -0.706 11.119 9.067 1.00 0.00 N ATOM 1510 CA THR A 99 0.097 12.207 8.525 1.00 0.00 C ATOM 1511 C THR A 99 0.695 13.058 9.640 1.00 0.00 C ATOM 1512 O THR A 99 0.521 12.760 10.823 1.00 0.00 O ATOM 1513 CB THR A 99 -0.734 13.111 7.595 1.00 0.00 C ATOM 1514 OG1 THR A 99 -1.829 13.684 8.319 1.00 0.00 O ATOM 1515 CG2 THR A 99 -1.263 12.324 6.406 1.00 0.00 C ATOM 0 H THR A 99 -1.705 11.319 9.122 1.00 0.00 H new ATOM 0 HA THR A 99 0.901 11.749 7.950 1.00 0.00 H new ATOM 0 HB THR A 99 -0.087 13.906 7.225 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.598 13.790 7.720 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.847 12.984 5.764 1.00 0.00 H new ATOM 0 HG22 THR A 99 -0.427 11.913 5.840 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.895 11.510 6.761 1.00 0.00 H new ATOM 1523 N LEU A 100 1.400 14.117 9.257 1.00 0.00 N ATOM 1524 CA LEU A 100 2.024 15.012 10.226 1.00 0.00 C ATOM 1525 C LEU A 100 1.010 16.011 10.775 1.00 0.00 C ATOM 1526 O LEU A 100 0.194 16.557 10.031 1.00 0.00 O ATOM 1527 CB LEU A 100 3.194 15.756 9.582 1.00 0.00 C ATOM 1528 CG LEU A 100 4.330 14.885 9.044 1.00 0.00 C ATOM 1529 CD1 LEU A 100 5.219 15.686 8.105 1.00 0.00 C ATOM 1530 CD2 LEU A 100 5.146 14.305 10.190 1.00 0.00 C ATOM 0 H LEU A 100 1.554 14.377 8.283 1.00 0.00 H new ATOM 0 HA LEU A 100 2.397 14.409 11.054 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.807 16.360 8.762 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.609 16.445 10.317 1.00 0.00 H new ATOM 0 HG LEU A 100 3.894 14.060 8.481 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.022 15.049 7.732 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.626 16.051 7.266 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.647 16.532 8.643 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.950 13.688 9.788 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.572 15.116 10.781 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.502 13.695 10.823 1.00 0.00 H new ATOM 1542 N THR A 101 1.069 16.249 12.081 1.00 0.00 N ATOM 1543 CA THR A 101 0.158 17.183 12.730 1.00 0.00 C ATOM 1544 C THR A 101 0.825 18.535 12.954 1.00 0.00 C ATOM 1545 O THR A 101 1.642 18.693 13.861 1.00 0.00 O ATOM 1546 CB THR A 101 -0.336 16.637 14.083 1.00 0.00 C ATOM 1547 OG1 THR A 101 0.750 16.575 15.013 1.00 0.00 O ATOM 1548 CG2 THR A 101 -0.949 15.255 13.918 1.00 0.00 C ATOM 0 H THR A 101 1.739 15.807 12.711 1.00 0.00 H new ATOM 0 HA THR A 101 -0.695 17.308 12.063 1.00 0.00 H new ATOM 0 HB THR A 101 -1.101 17.313 14.464 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.469 17.170 14.716 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.290 14.890 14.887 1.00 0.00 H new ATOM 0 HG22 THR A 101 -1.795 15.312 13.233 1.00 0.00 H new ATOM 0 HG23 THR A 101 -0.202 14.571 13.516 1.00 0.00 H new ATOM 1556 N ASP A 102 0.471 19.509 12.122 1.00 0.00 N ATOM 1557 CA ASP A 102 1.034 20.850 12.230 1.00 0.00 C ATOM 1558 C ASP A 102 0.233 21.698 13.213 1.00 0.00 C ATOM 1559 O ASP A 102 0.005 22.885 12.982 1.00 0.00 O ATOM 1560 CB ASP A 102 1.063 21.526 10.859 1.00 0.00 C ATOM 1561 CG ASP A 102 1.634 22.929 10.917 1.00 0.00 C ATOM 1562 OD1 ASP A 102 2.852 23.064 11.158 1.00 0.00 O ATOM 1563 OD2 ASP A 102 0.863 23.893 10.724 1.00 0.00 O ATOM 0 H ASP A 102 -0.203 19.395 11.365 1.00 0.00 H new ATOM 0 HA ASP A 102 2.054 20.760 12.603 1.00 0.00 H new ATOM 0 HB2 ASP A 102 1.657 20.923 10.172 1.00 0.00 H new ATOM 0 HB3 ASP A 102 0.051 21.565 10.455 1.00 0.00 H new ATOM 1568 N SER A 103 -0.193 21.080 14.310 1.00 0.00 N ATOM 1569 CA SER A 103 -0.973 21.777 15.326 1.00 0.00 C ATOM 1570 C SER A 103 -0.199 21.868 16.638 1.00 0.00 C ATOM 1571 O SER A 103 -0.026 22.950 17.196 1.00 0.00 O ATOM 1572 CB SER A 103 -2.305 21.061 15.556 1.00 0.00 C ATOM 1573 OG SER A 103 -3.073 21.719 16.548 1.00 0.00 O ATOM 0 H SER A 103 -0.011 20.098 14.518 1.00 0.00 H new ATOM 0 HA SER A 103 -1.168 22.788 14.969 1.00 0.00 H new ATOM 0 HB2 SER A 103 -2.867 21.023 14.623 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.120 20.030 15.859 1.00 0.00 H new ATOM 0 HG SER A 103 -3.920 21.243 16.675 1.00 0.00 H new ATOM 1579 N GLY A 104 0.266 20.721 17.125 1.00 0.00 N ATOM 1580 CA GLY A 104 1.016 20.692 18.367 1.00 0.00 C ATOM 1581 C GLY A 104 1.753 19.383 18.568 1.00 0.00 C ATOM 1582 O GLY A 104 1.282 18.480 19.260 1.00 0.00 O ATOM 0 H GLY A 104 0.137 19.812 16.681 1.00 0.00 H new ATOM 0 HA2 GLY A 104 1.732 21.514 18.375 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.335 20.854 19.203 1.00 0.00 H new ATOM 1586 N PRO A 105 2.939 19.266 17.951 1.00 0.00 N ATOM 1587 CA PRO A 105 3.767 18.061 18.051 1.00 0.00 C ATOM 1588 C PRO A 105 4.363 17.880 19.443 1.00 0.00 C ATOM 1589 O PRO A 105 4.666 18.855 20.130 1.00 0.00 O ATOM 1590 CB PRO A 105 4.875 18.306 17.023 1.00 0.00 C ATOM 1591 CG PRO A 105 4.960 19.788 16.904 1.00 0.00 C ATOM 1592 CD PRO A 105 3.562 20.302 17.110 1.00 0.00 C ATOM 0 HA PRO A 105 3.190 17.154 17.869 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.823 17.880 17.353 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.635 17.845 16.065 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.641 20.201 17.648 1.00 0.00 H new ATOM 0 HG3 PRO A 105 5.343 20.079 15.926 1.00 0.00 H new ATOM 0 HD2 PRO A 105 3.560 21.274 17.602 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.034 20.423 16.164 1.00 0.00 H new ATOM 1600 N SER A 106 4.529 16.626 19.852 1.00 0.00 N ATOM 1601 CA SER A 106 5.086 16.318 21.164 1.00 0.00 C ATOM 1602 C SER A 106 6.404 15.561 21.031 1.00 0.00 C ATOM 1603 O SER A 106 6.578 14.751 20.120 1.00 0.00 O ATOM 1604 CB SER A 106 4.091 15.492 21.982 1.00 0.00 C ATOM 1605 OG SER A 106 3.166 16.328 22.656 1.00 0.00 O ATOM 0 H SER A 106 4.286 15.807 19.294 1.00 0.00 H new ATOM 0 HA SER A 106 5.278 17.259 21.680 1.00 0.00 H new ATOM 0 HB2 SER A 106 3.555 14.807 21.325 1.00 0.00 H new ATOM 0 HB3 SER A 106 4.630 14.882 22.707 1.00 0.00 H new ATOM 0 HG SER A 106 2.540 15.776 23.170 1.00 0.00 H new ATOM 1611 N SER A 107 7.329 15.832 21.945 1.00 0.00 N ATOM 1612 CA SER A 107 8.634 15.180 21.929 1.00 0.00 C ATOM 1613 C SER A 107 8.953 14.569 23.290 1.00 0.00 C ATOM 1614 O SER A 107 8.263 14.825 24.275 1.00 0.00 O ATOM 1615 CB SER A 107 9.723 16.182 21.539 1.00 0.00 C ATOM 1616 OG SER A 107 9.411 16.823 20.315 1.00 0.00 O ATOM 0 H SER A 107 7.200 16.498 22.706 1.00 0.00 H new ATOM 0 HA SER A 107 8.604 14.380 21.189 1.00 0.00 H new ATOM 0 HB2 SER A 107 9.834 16.928 22.326 1.00 0.00 H new ATOM 0 HB3 SER A 107 10.680 15.668 21.450 1.00 0.00 H new ATOM 0 HG SER A 107 10.121 17.459 20.089 1.00 0.00 H new ATOM 1622 N GLY A 108 10.006 13.758 23.335 1.00 0.00 N ATOM 1623 CA GLY A 108 10.399 13.122 24.579 1.00 0.00 C ATOM 1624 C GLY A 108 9.457 12.004 24.982 1.00 0.00 C ATOM 1625 O GLY A 108 8.259 12.227 25.157 1.00 0.00 O ATOM 0 H GLY A 108 10.593 13.530 22.533 1.00 0.00 H new ATOM 0 HA2 GLY A 108 11.408 12.723 24.477 1.00 0.00 H new ATOM 0 HA3 GLY A 108 10.431 13.870 25.372 1.00 0.00 H new TER 1629 GLY A 108