USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 612 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 38 SER OG : rot 45:sc= 1.13 USER MOD Set 1.2: A 67 SER OG : rot 180:sc= -0.326 USER MOD Single : A 1 MET CE :methyl -179:sc= 0 (180deg=-0.00126) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.116 K(o=-0.12,f=-1.2!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HE2:sc= -0.346 K(o=-0.35,f=-1.5) USER MOD Single : A 13 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.27) USER MOD Single : A 17 LYS NZ :NH3+ -164:sc= -0.0244 (180deg=-0.215) USER MOD Single : A 18 SER OG : rot -124:sc= 0.0519 USER MOD Single : A 22 THR OG1 : rot -58:sc= 0.483 USER MOD Single : A 23 SER OG : rot 180:sc= -0.0119 USER MOD Single : A 25 GLN : amide:sc= 0.149 X(o=0.15,f=-0.049) USER MOD Single : A 31 ASN : amide:sc= -0.502 X(o=-0.5,f=-0.87) USER MOD Single : A 33 ASN : amide:sc= 0.352 K(o=0.35,f=-2.8!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.0107) USER MOD Single : A 43 SER OG : rot -101:sc= -0.217 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot -130:sc= -0.984 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.174 K(o=-0.17,f=-1.9) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -76:sc= 0.225 USER MOD Single : A 66 TYR OH : rot 124:sc= 1.23 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.0312 K(o=-0.031,f=-1.4!) USER MOD Single : A 78 SER OG : rot -142:sc= 1.53 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 70:sc= 0.947 USER MOD Single : A 84 GLN : amide:sc=-0.00153 X(o=-0.0015,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.144 -3.976 5.059 1.00 64.44 N ATOM 2 CA MET A 1 2.418 -2.712 4.386 1.00 12.41 C ATOM 3 C MET A 1 3.037 -2.949 3.013 1.00 62.15 C ATOM 4 O MET A 1 2.596 -2.379 2.016 1.00 50.03 O ATOM 5 CB MET A 1 3.351 -1.848 5.237 1.00 22.31 C ATOM 6 CG MET A 1 3.673 -0.502 4.610 1.00 44.40 C ATOM 7 SD MET A 1 2.935 0.877 5.508 1.00 64.12 S ATOM 8 CE MET A 1 1.253 0.818 4.896 1.00 61.41 C ATOM 0 H1 MET A 1 1.723 -3.789 5.991 1.00 64.44 H new ATOM 0 H2 MET A 1 1.482 -4.538 4.487 1.00 64.44 H new ATOM 0 H3 MET A 1 3.032 -4.505 5.180 1.00 64.44 H new ATOM 0 HA MET A 1 1.471 -2.189 4.252 1.00 12.41 H new ATOM 0 HB2 MET A 1 2.893 -1.685 6.212 1.00 22.31 H new ATOM 0 HB3 MET A 1 4.280 -2.391 5.408 1.00 22.31 H new ATOM 0 HG2 MET A 1 4.755 -0.371 4.576 1.00 44.40 H new ATOM 0 HG3 MET A 1 3.318 -0.491 3.580 1.00 44.40 H new ATOM 0 HE1 MET A 1 0.673 1.624 5.347 1.00 61.41 H new ATOM 0 HE2 MET A 1 1.256 0.935 3.812 1.00 61.41 H new ATOM 0 HE3 MET A 1 0.805 -0.141 5.156 1.00 61.41 H new ATOM 18 N ASN A 2 4.062 -3.794 2.969 1.00 62.05 N ATOM 19 CA ASN A 2 4.743 -4.106 1.717 1.00 55.32 C ATOM 20 C ASN A 2 4.154 -5.358 1.075 1.00 71.40 C ATOM 21 O ASN A 2 3.492 -6.156 1.739 1.00 44.02 O ATOM 22 CB ASN A 2 6.240 -4.300 1.961 1.00 64.01 C ATOM 23 CG ASN A 2 7.081 -3.860 0.778 1.00 71.23 C ATOM 24 OD1 ASN A 2 6.755 -2.886 0.099 1.00 64.22 O ATOM 25 ND2 ASN A 2 8.169 -4.579 0.525 1.00 12.33 N ATOM 0 H ASN A 2 4.439 -4.275 3.786 1.00 62.05 H new ATOM 0 HA ASN A 2 4.599 -3.268 1.035 1.00 55.32 H new ATOM 0 HB2 ASN A 2 6.537 -3.735 2.845 1.00 64.01 H new ATOM 0 HB3 ASN A 2 6.438 -5.351 2.173 1.00 64.01 H new ATOM 0 HD21 ASN A 2 8.773 -4.332 -0.259 1.00 12.33 H new ATOM 0 HD22 ASN A 2 8.400 -5.379 1.115 1.00 12.33 H new ATOM 32 N ALA A 3 4.400 -5.524 -0.220 1.00 60.54 N ATOM 33 CA ALA A 3 3.897 -6.681 -0.952 1.00 1.25 C ATOM 34 C ALA A 3 4.676 -6.893 -2.245 1.00 75.34 C ATOM 35 O ALA A 3 4.261 -6.439 -3.312 1.00 25.43 O ATOM 36 CB ALA A 3 2.414 -6.514 -1.247 1.00 72.10 C ATOM 0 H ALA A 3 4.945 -4.872 -0.785 1.00 60.54 H new ATOM 0 HA ALA A 3 4.034 -7.564 -0.328 1.00 1.25 H new ATOM 0 HB1 ALA A 3 2.051 -7.385 -1.794 1.00 72.10 H new ATOM 0 HB2 ALA A 3 1.865 -6.419 -0.310 1.00 72.10 H new ATOM 0 HB3 ALA A 3 2.261 -5.618 -1.849 1.00 72.10 H new ATOM 42 N ALA A 4 5.805 -7.586 -2.144 1.00 5.42 N ATOM 43 CA ALA A 4 6.641 -7.859 -3.306 1.00 70.15 C ATOM 44 C ALA A 4 6.139 -9.081 -4.068 1.00 52.02 C ATOM 45 O ALA A 4 5.819 -10.108 -3.470 1.00 40.40 O ATOM 46 CB ALA A 4 8.088 -8.058 -2.881 1.00 43.13 C ATOM 0 H ALA A 4 6.162 -7.969 -1.269 1.00 5.42 H new ATOM 0 HA ALA A 4 6.585 -6.999 -3.973 1.00 70.15 H new ATOM 0 HB1 ALA A 4 8.701 -8.261 -3.759 1.00 43.13 H new ATOM 0 HB2 ALA A 4 8.449 -7.156 -2.387 1.00 43.13 H new ATOM 0 HB3 ALA A 4 8.152 -8.900 -2.191 1.00 43.13 H new ATOM 52 N GLU A 5 6.072 -8.962 -5.391 1.00 14.05 N ATOM 53 CA GLU A 5 5.606 -10.058 -6.233 1.00 4.42 C ATOM 54 C GLU A 5 6.775 -10.926 -6.691 1.00 13.14 C ATOM 55 O GLU A 5 7.479 -10.588 -7.642 1.00 54.33 O ATOM 56 CB GLU A 5 4.855 -9.512 -7.449 1.00 0.11 C ATOM 57 CG GLU A 5 4.127 -10.582 -8.245 1.00 11.10 C ATOM 58 CD GLU A 5 3.734 -10.111 -9.632 1.00 31.12 C ATOM 59 OE1 GLU A 5 3.108 -9.035 -9.737 1.00 62.32 O ATOM 60 OE2 GLU A 5 4.051 -10.818 -10.611 1.00 45.30 O ATOM 0 H GLU A 5 6.334 -8.119 -5.902 1.00 14.05 H new ATOM 0 HA GLU A 5 4.928 -10.674 -5.642 1.00 4.42 H new ATOM 0 HB2 GLU A 5 4.134 -8.766 -7.115 1.00 0.11 H new ATOM 0 HB3 GLU A 5 5.562 -9.002 -8.103 1.00 0.11 H new ATOM 0 HG2 GLU A 5 4.764 -11.462 -8.331 1.00 11.10 H new ATOM 0 HG3 GLU A 5 3.233 -10.888 -7.702 1.00 11.10 H new ATOM 67 N VAL A 6 6.975 -12.047 -6.005 1.00 63.23 N ATOM 68 CA VAL A 6 8.057 -12.965 -6.341 1.00 23.03 C ATOM 69 C VAL A 6 7.512 -14.310 -6.806 1.00 61.44 C ATOM 70 O VAL A 6 6.555 -14.835 -6.236 1.00 1.31 O ATOM 71 CB VAL A 6 8.994 -13.191 -5.139 1.00 62.23 C ATOM 72 CG1 VAL A 6 9.368 -11.864 -4.497 1.00 25.34 C ATOM 73 CG2 VAL A 6 8.344 -14.120 -4.125 1.00 2.23 C ATOM 0 H VAL A 6 6.402 -12.341 -5.214 1.00 63.23 H new ATOM 0 HA VAL A 6 8.622 -12.505 -7.152 1.00 23.03 H new ATOM 0 HB VAL A 6 9.909 -13.664 -5.496 1.00 62.23 H new ATOM 0 HG11 VAL A 6 10.030 -12.043 -3.650 1.00 25.34 H new ATOM 0 HG12 VAL A 6 9.877 -11.236 -5.229 1.00 25.34 H new ATOM 0 HG13 VAL A 6 8.465 -11.360 -4.152 1.00 25.34 H new ATOM 0 HG21 VAL A 6 9.019 -14.269 -3.283 1.00 2.23 H new ATOM 0 HG22 VAL A 6 7.413 -13.677 -3.770 1.00 2.23 H new ATOM 0 HG23 VAL A 6 8.133 -15.081 -4.595 1.00 2.23 H new ATOM 83 N ILE A 7 8.128 -14.864 -7.845 1.00 73.35 N ATOM 84 CA ILE A 7 7.705 -16.150 -8.387 1.00 11.02 C ATOM 85 C ILE A 7 8.637 -17.269 -7.936 1.00 62.44 C ATOM 86 O ILE A 7 9.791 -17.340 -8.361 1.00 34.11 O ATOM 87 CB ILE A 7 7.658 -16.125 -9.926 1.00 14.40 C ATOM 88 CG1 ILE A 7 7.437 -17.536 -10.474 1.00 50.15 C ATOM 89 CG2 ILE A 7 8.940 -15.528 -10.486 1.00 2.55 C ATOM 90 CD1 ILE A 7 6.471 -17.588 -11.637 1.00 42.05 C ATOM 0 H ILE A 7 8.921 -14.443 -8.328 1.00 73.35 H new ATOM 0 HA ILE A 7 6.702 -16.339 -8.005 1.00 11.02 H new ATOM 0 HB ILE A 7 6.822 -15.499 -10.239 1.00 14.40 H new ATOM 0 HG12 ILE A 7 8.395 -17.949 -10.789 1.00 50.15 H new ATOM 0 HG13 ILE A 7 7.063 -18.174 -9.673 1.00 50.15 H new ATOM 0 HG21 ILE A 7 8.891 -15.517 -11.575 1.00 2.55 H new ATOM 0 HG22 ILE A 7 9.058 -14.509 -10.118 1.00 2.55 H new ATOM 0 HG23 ILE A 7 9.791 -16.129 -10.167 1.00 2.55 H new ATOM 0 HD11 ILE A 7 6.363 -18.619 -11.974 1.00 42.05 H new ATOM 0 HD12 ILE A 7 5.500 -17.206 -11.321 1.00 42.05 H new ATOM 0 HD13 ILE A 7 6.853 -16.977 -12.455 1.00 42.05 H new ATOM 102 N VAL A 8 8.129 -18.145 -7.075 1.00 10.34 N ATOM 103 CA VAL A 8 8.915 -19.264 -6.568 1.00 52.42 C ATOM 104 C VAL A 8 8.091 -20.546 -6.540 1.00 14.31 C ATOM 105 O VAL A 8 6.860 -20.505 -6.544 1.00 70.31 O ATOM 106 CB VAL A 8 9.450 -18.979 -5.152 1.00 55.42 C ATOM 107 CG1 VAL A 8 10.032 -17.576 -5.074 1.00 2.34 C ATOM 108 CG2 VAL A 8 8.348 -19.166 -4.120 1.00 23.04 C ATOM 0 H VAL A 8 7.176 -18.101 -6.714 1.00 10.34 H new ATOM 0 HA VAL A 8 9.758 -19.392 -7.247 1.00 52.42 H new ATOM 0 HB VAL A 8 10.247 -19.690 -4.933 1.00 55.42 H new ATOM 0 HG11 VAL A 8 10.405 -17.392 -4.066 1.00 2.34 H new ATOM 0 HG12 VAL A 8 10.851 -17.482 -5.787 1.00 2.34 H new ATOM 0 HG13 VAL A 8 9.258 -16.847 -5.313 1.00 2.34 H new ATOM 0 HG21 VAL A 8 8.743 -18.961 -3.125 1.00 23.04 H new ATOM 0 HG22 VAL A 8 7.529 -18.480 -4.334 1.00 23.04 H new ATOM 0 HG23 VAL A 8 7.982 -20.192 -4.161 1.00 23.04 H new ATOM 118 N TYR A 9 8.777 -21.683 -6.511 1.00 14.25 N ATOM 119 CA TYR A 9 8.108 -22.978 -6.483 1.00 61.33 C ATOM 120 C TYR A 9 8.368 -23.698 -5.163 1.00 52.32 C ATOM 121 O TYR A 9 9.454 -23.598 -4.593 1.00 72.24 O ATOM 122 CB TYR A 9 8.582 -23.845 -7.651 1.00 42.01 C ATOM 123 CG TYR A 9 8.003 -23.433 -8.985 1.00 51.54 C ATOM 124 CD1 TYR A 9 8.199 -22.150 -9.483 1.00 74.02 C ATOM 125 CD2 TYR A 9 7.259 -24.325 -9.748 1.00 1.51 C ATOM 126 CE1 TYR A 9 7.671 -21.768 -10.701 1.00 73.45 C ATOM 127 CE2 TYR A 9 6.729 -23.952 -10.968 1.00 33.12 C ATOM 128 CZ TYR A 9 6.937 -22.673 -11.440 1.00 61.02 C ATOM 129 OH TYR A 9 6.409 -22.298 -12.654 1.00 42.33 O ATOM 0 H TYR A 9 9.796 -21.734 -6.506 1.00 14.25 H new ATOM 0 HA TYR A 9 7.036 -22.806 -6.577 1.00 61.33 H new ATOM 0 HB2 TYR A 9 9.670 -23.801 -7.707 1.00 42.01 H new ATOM 0 HB3 TYR A 9 8.315 -24.883 -7.454 1.00 42.01 H new ATOM 0 HD1 TYR A 9 8.774 -21.440 -8.908 1.00 74.02 H new ATOM 0 HD2 TYR A 9 7.092 -25.327 -9.381 1.00 1.51 H new ATOM 0 HE1 TYR A 9 7.832 -20.767 -11.073 1.00 73.45 H new ATOM 0 HE2 TYR A 9 6.155 -24.658 -11.549 1.00 33.12 H new ATOM 0 HH TYR A 9 5.921 -23.052 -13.046 1.00 42.33 H new ATOM 139 N GLU A 10 7.362 -24.423 -4.684 1.00 52.30 N ATOM 140 CA GLU A 10 7.481 -25.159 -3.431 1.00 72.10 C ATOM 141 C GLU A 10 7.831 -26.621 -3.691 1.00 21.54 C ATOM 142 O GLU A 10 7.294 -27.524 -3.048 1.00 13.14 O ATOM 143 CB GLU A 10 6.177 -25.069 -2.635 1.00 61.10 C ATOM 144 CG GLU A 10 4.987 -25.695 -3.343 1.00 42.42 C ATOM 145 CD GLU A 10 4.565 -27.011 -2.721 1.00 75.55 C ATOM 146 OE1 GLU A 10 4.596 -27.118 -1.478 1.00 22.41 O ATOM 147 OE2 GLU A 10 4.202 -27.935 -3.480 1.00 33.33 O ATOM 0 H GLU A 10 6.456 -24.516 -5.144 1.00 52.30 H new ATOM 0 HA GLU A 10 8.285 -24.708 -2.849 1.00 72.10 H new ATOM 0 HB2 GLU A 10 6.315 -25.559 -1.671 1.00 61.10 H new ATOM 0 HB3 GLU A 10 5.957 -24.021 -2.431 1.00 61.10 H new ATOM 0 HG2 GLU A 10 4.148 -25.000 -3.318 1.00 42.42 H new ATOM 0 HG3 GLU A 10 5.237 -25.856 -4.392 1.00 42.42 H new ATOM 154 N HIS A 11 8.736 -26.848 -4.638 1.00 32.11 N ATOM 155 CA HIS A 11 9.159 -28.201 -4.983 1.00 54.43 C ATOM 156 C HIS A 11 10.062 -28.190 -6.212 1.00 64.05 C ATOM 157 O HIS A 11 10.493 -27.131 -6.670 1.00 24.33 O ATOM 158 CB HIS A 11 7.941 -29.089 -5.239 1.00 54.31 C ATOM 159 CG HIS A 11 7.841 -30.253 -4.302 1.00 14.31 C ATOM 160 ND1 HIS A 11 8.180 -30.176 -2.968 1.00 11.14 N ATOM 161 CD2 HIS A 11 7.435 -31.527 -4.513 1.00 14.43 C ATOM 162 CE1 HIS A 11 7.989 -31.353 -2.399 1.00 13.34 C ATOM 163 NE2 HIS A 11 7.536 -32.190 -3.315 1.00 1.25 N ATOM 0 H HIS A 11 9.190 -26.113 -5.180 1.00 32.11 H new ATOM 0 HA HIS A 11 9.723 -28.605 -4.142 1.00 54.43 H new ATOM 0 HB2 HIS A 11 7.037 -28.486 -5.153 1.00 54.31 H new ATOM 0 HB3 HIS A 11 7.981 -29.460 -6.263 1.00 54.31 H new ATOM 0 HD1 HIS A 11 8.524 -29.341 -2.494 1.00 11.14 H new ATOM 0 HD2 HIS A 11 7.095 -31.944 -5.449 1.00 14.43 H new ATOM 0 HE1 HIS A 11 8.172 -31.590 -1.361 1.00 13.34 H new ATOM 171 N VAL A 12 10.346 -29.375 -6.743 1.00 23.53 N ATOM 172 CA VAL A 12 11.199 -29.503 -7.919 1.00 15.42 C ATOM 173 C VAL A 12 10.565 -28.831 -9.132 1.00 35.50 C ATOM 174 O VAL A 12 9.356 -28.604 -9.167 1.00 1.40 O ATOM 175 CB VAL A 12 11.479 -30.980 -8.251 1.00 62.15 C ATOM 176 CG1 VAL A 12 12.615 -31.095 -9.257 1.00 1.25 C ATOM 177 CG2 VAL A 12 11.796 -31.760 -6.985 1.00 24.14 C ATOM 0 H VAL A 12 9.997 -30.261 -6.377 1.00 23.53 H new ATOM 0 HA VAL A 12 12.141 -29.007 -7.683 1.00 15.42 H new ATOM 0 HB VAL A 12 10.583 -31.410 -8.700 1.00 62.15 H new ATOM 0 HG11 VAL A 12 12.799 -32.146 -9.480 1.00 1.25 H new ATOM 0 HG12 VAL A 12 12.343 -30.572 -10.174 1.00 1.25 H new ATOM 0 HG13 VAL A 12 13.518 -30.649 -8.839 1.00 1.25 H new ATOM 0 HG21 VAL A 12 11.991 -32.802 -7.239 1.00 24.14 H new ATOM 0 HG22 VAL A 12 12.676 -31.332 -6.505 1.00 24.14 H new ATOM 0 HG23 VAL A 12 10.948 -31.706 -6.302 1.00 24.14 H new ATOM 187 N ASN A 13 11.389 -28.518 -10.126 1.00 1.40 N ATOM 188 CA ASN A 13 10.909 -27.872 -11.342 1.00 50.14 C ATOM 189 C ASN A 13 10.406 -28.906 -12.345 1.00 61.00 C ATOM 190 O ASN A 13 10.839 -28.931 -13.497 1.00 53.24 O ATOM 191 CB ASN A 13 12.022 -27.033 -11.973 1.00 24.11 C ATOM 192 CG ASN A 13 11.504 -26.101 -13.052 1.00 22.55 C ATOM 193 OD1 ASN A 13 10.536 -25.370 -12.843 1.00 2.11 O ATOM 194 ND2 ASN A 13 12.148 -26.125 -14.213 1.00 1.23 N ATOM 0 H ASN A 13 12.392 -28.701 -10.114 1.00 1.40 H new ATOM 0 HA ASN A 13 10.079 -27.219 -11.073 1.00 50.14 H new ATOM 0 HB2 ASN A 13 12.516 -26.447 -11.197 1.00 24.11 H new ATOM 0 HB3 ASN A 13 12.775 -27.696 -12.400 1.00 24.11 H new ATOM 0 HD21 ASN A 13 11.845 -25.521 -14.977 1.00 1.23 H new ATOM 0 HD22 ASN A 13 12.946 -26.748 -14.341 1.00 1.23 H new ATOM 201 N PHE A 14 9.489 -29.758 -11.898 1.00 64.24 N ATOM 202 CA PHE A 14 8.927 -30.795 -12.756 1.00 22.12 C ATOM 203 C PHE A 14 7.850 -31.585 -12.019 1.00 30.42 C ATOM 204 O PHE A 14 7.620 -32.759 -12.306 1.00 72.31 O ATOM 205 CB PHE A 14 10.029 -31.741 -13.238 1.00 43.31 C ATOM 206 CG PHE A 14 10.317 -32.863 -12.282 1.00 5.51 C ATOM 207 CD1 PHE A 14 10.483 -32.612 -10.929 1.00 64.23 C ATOM 208 CD2 PHE A 14 10.423 -34.167 -12.736 1.00 30.42 C ATOM 209 CE1 PHE A 14 10.748 -33.642 -10.047 1.00 24.34 C ATOM 210 CE2 PHE A 14 10.687 -35.202 -11.858 1.00 3.51 C ATOM 211 CZ PHE A 14 10.851 -34.939 -10.512 1.00 5.42 C ATOM 0 H PHE A 14 9.120 -29.751 -10.947 1.00 64.24 H new ATOM 0 HA PHE A 14 8.471 -30.310 -13.619 1.00 22.12 H new ATOM 0 HB2 PHE A 14 9.741 -32.161 -14.202 1.00 43.31 H new ATOM 0 HB3 PHE A 14 10.943 -31.169 -13.400 1.00 43.31 H new ATOM 0 HD1 PHE A 14 10.404 -31.600 -10.560 1.00 64.23 H new ATOM 0 HD2 PHE A 14 10.298 -34.378 -13.788 1.00 30.42 H new ATOM 0 HE1 PHE A 14 10.875 -33.433 -8.995 1.00 24.34 H new ATOM 0 HE2 PHE A 14 10.765 -36.215 -12.224 1.00 3.51 H new ATOM 0 HZ PHE A 14 11.059 -35.745 -9.824 1.00 5.42 H new ATOM 221 N GLY A 15 7.193 -30.932 -11.065 1.00 53.14 N ATOM 222 CA GLY A 15 6.148 -31.588 -10.301 1.00 23.22 C ATOM 223 C GLY A 15 5.904 -30.921 -8.962 1.00 33.22 C ATOM 224 O GLY A 15 5.711 -31.595 -7.951 1.00 23.03 O ATOM 0 H GLY A 15 7.366 -29.960 -10.808 1.00 53.14 H new ATOM 0 HA2 GLY A 15 5.224 -31.585 -10.879 1.00 23.22 H new ATOM 0 HA3 GLY A 15 6.420 -32.631 -10.140 1.00 23.22 H new ATOM 228 N GLY A 16 5.913 -29.592 -8.954 1.00 53.41 N ATOM 229 CA GLY A 16 5.691 -28.855 -7.723 1.00 72.43 C ATOM 230 C GLY A 16 4.767 -27.669 -7.916 1.00 2.02 C ATOM 231 O GLY A 16 4.415 -27.323 -9.044 1.00 33.24 O ATOM 0 H GLY A 16 6.070 -29.012 -9.778 1.00 53.41 H new ATOM 0 HA2 GLY A 16 5.267 -29.524 -6.974 1.00 72.43 H new ATOM 0 HA3 GLY A 16 6.648 -28.507 -7.334 1.00 72.43 H new ATOM 235 N LYS A 17 4.372 -27.044 -6.812 1.00 41.41 N ATOM 236 CA LYS A 17 3.483 -25.889 -6.863 1.00 21.01 C ATOM 237 C LYS A 17 4.280 -24.594 -6.984 1.00 53.11 C ATOM 238 O LYS A 17 5.476 -24.560 -6.695 1.00 72.40 O ATOM 239 CB LYS A 17 2.602 -25.843 -5.613 1.00 14.23 C ATOM 240 CG LYS A 17 1.159 -25.463 -5.899 1.00 61.13 C ATOM 241 CD LYS A 17 0.771 -24.175 -5.194 1.00 10.52 C ATOM 242 CE LYS A 17 0.387 -24.427 -3.744 1.00 10.11 C ATOM 243 NZ LYS A 17 -0.922 -25.128 -3.631 1.00 21.03 N ATOM 0 H LYS A 17 4.654 -27.318 -5.871 1.00 41.41 H new ATOM 0 HA LYS A 17 2.849 -25.988 -7.744 1.00 21.01 H new ATOM 0 HB2 LYS A 17 2.623 -26.819 -5.128 1.00 14.23 H new ATOM 0 HB3 LYS A 17 3.024 -25.128 -4.907 1.00 14.23 H new ATOM 0 HG2 LYS A 17 1.019 -25.347 -6.974 1.00 61.13 H new ATOM 0 HG3 LYS A 17 0.499 -26.268 -5.576 1.00 61.13 H new ATOM 0 HD2 LYS A 17 1.603 -23.472 -5.234 1.00 10.52 H new ATOM 0 HD3 LYS A 17 -0.065 -23.710 -5.717 1.00 10.52 H new ATOM 0 HE2 LYS A 17 1.161 -25.024 -3.262 1.00 10.11 H new ATOM 0 HE3 LYS A 17 0.338 -23.477 -3.211 1.00 10.11 H new ATOM 0 HZ1 LYS A 17 -1.278 -25.043 -2.658 1.00 21.03 H new ATOM 0 HZ2 LYS A 17 -1.604 -24.698 -4.288 1.00 21.03 H new ATOM 0 HZ3 LYS A 17 -0.799 -26.133 -3.868 1.00 21.03 H new ATOM 257 N SER A 18 3.609 -23.529 -7.412 1.00 75.40 N ATOM 258 CA SER A 18 4.255 -22.232 -7.573 1.00 72.35 C ATOM 259 C SER A 18 3.346 -21.108 -7.085 1.00 62.14 C ATOM 260 O SER A 18 2.154 -21.313 -6.855 1.00 62.24 O ATOM 261 CB SER A 18 4.626 -22.003 -9.040 1.00 4.12 C ATOM 262 OG SER A 18 3.726 -22.674 -9.905 1.00 4.42 O ATOM 0 H SER A 18 2.618 -23.539 -7.653 1.00 75.40 H new ATOM 0 HA SER A 18 5.163 -22.228 -6.971 1.00 72.35 H new ATOM 0 HB2 SER A 18 4.617 -20.935 -9.258 1.00 4.12 H new ATOM 0 HB3 SER A 18 5.641 -22.357 -9.221 1.00 4.12 H new ATOM 0 HG SER A 18 4.227 -23.275 -10.495 1.00 4.42 H new ATOM 268 N PHE A 19 3.918 -19.919 -6.929 1.00 45.14 N ATOM 269 CA PHE A 19 3.162 -18.761 -6.468 1.00 13.03 C ATOM 270 C PHE A 19 3.381 -17.565 -7.389 1.00 44.14 C ATOM 271 O PHE A 19 4.485 -17.025 -7.471 1.00 13.32 O ATOM 272 CB PHE A 19 3.566 -18.398 -5.037 1.00 62.14 C ATOM 273 CG PHE A 19 3.671 -19.586 -4.124 1.00 61.13 C ATOM 274 CD1 PHE A 19 2.594 -20.441 -3.952 1.00 65.21 C ATOM 275 CD2 PHE A 19 4.846 -19.848 -3.439 1.00 22.02 C ATOM 276 CE1 PHE A 19 2.688 -21.534 -3.112 1.00 21.51 C ATOM 277 CE2 PHE A 19 4.946 -20.940 -2.597 1.00 71.24 C ATOM 278 CZ PHE A 19 3.866 -21.785 -2.435 1.00 34.13 C ATOM 0 H PHE A 19 4.903 -19.732 -7.115 1.00 45.14 H new ATOM 0 HA PHE A 19 2.103 -19.020 -6.485 1.00 13.03 H new ATOM 0 HB2 PHE A 19 4.525 -17.881 -5.059 1.00 62.14 H new ATOM 0 HB3 PHE A 19 2.836 -17.699 -4.628 1.00 62.14 H new ATOM 0 HD1 PHE A 19 1.671 -20.251 -4.480 1.00 65.21 H new ATOM 0 HD2 PHE A 19 5.694 -19.191 -3.564 1.00 22.02 H new ATOM 0 HE1 PHE A 19 1.841 -22.192 -2.985 1.00 21.51 H new ATOM 0 HE2 PHE A 19 5.867 -21.132 -2.067 1.00 71.24 H new ATOM 0 HZ PHE A 19 3.942 -22.641 -1.780 1.00 34.13 H new ATOM 288 N ASP A 20 2.324 -17.157 -8.082 1.00 73.50 N ATOM 289 CA ASP A 20 2.399 -16.025 -8.998 1.00 64.31 C ATOM 290 C ASP A 20 1.412 -14.934 -8.596 1.00 4.12 C ATOM 291 O ASP A 20 0.642 -14.445 -9.422 1.00 4.43 O ATOM 292 CB ASP A 20 2.119 -16.481 -10.431 1.00 34.43 C ATOM 293 CG ASP A 20 2.519 -15.441 -11.458 1.00 63.44 C ATOM 294 OD1 ASP A 20 3.525 -14.737 -11.229 1.00 52.31 O ATOM 295 OD2 ASP A 20 1.828 -15.333 -12.492 1.00 40.45 O ATOM 0 H ASP A 20 1.404 -17.594 -8.027 1.00 73.50 H new ATOM 0 HA ASP A 20 3.407 -15.614 -8.947 1.00 64.31 H new ATOM 0 HB2 ASP A 20 2.659 -17.407 -10.627 1.00 34.43 H new ATOM 0 HB3 ASP A 20 1.057 -16.703 -10.538 1.00 34.43 H new ATOM 300 N ALA A 21 1.441 -14.558 -7.321 1.00 73.04 N ATOM 301 CA ALA A 21 0.550 -13.524 -6.810 1.00 35.22 C ATOM 302 C ALA A 21 1.336 -12.410 -6.127 1.00 72.22 C ATOM 303 O ALA A 21 2.349 -12.661 -5.474 1.00 10.05 O ATOM 304 CB ALA A 21 -0.460 -14.128 -5.845 1.00 11.01 C ATOM 0 H ALA A 21 2.072 -14.954 -6.624 1.00 73.04 H new ATOM 0 HA ALA A 21 0.015 -13.090 -7.655 1.00 35.22 H new ATOM 0 HB1 ALA A 21 -1.119 -13.345 -5.471 1.00 11.01 H new ATOM 0 HB2 ALA A 21 -1.051 -14.883 -6.363 1.00 11.01 H new ATOM 0 HB3 ALA A 21 0.066 -14.589 -5.009 1.00 11.01 H new ATOM 310 N THR A 22 0.863 -11.177 -6.283 1.00 65.33 N ATOM 311 CA THR A 22 1.523 -10.024 -5.684 1.00 23.43 C ATOM 312 C THR A 22 0.818 -9.591 -4.404 1.00 32.23 C ATOM 313 O THR A 22 0.666 -8.398 -4.140 1.00 65.42 O ATOM 314 CB THR A 22 1.569 -8.833 -6.659 1.00 64.23 C ATOM 315 OG1 THR A 22 2.301 -7.750 -6.075 1.00 51.42 O ATOM 316 CG2 THR A 22 0.165 -8.370 -7.015 1.00 34.13 C ATOM 0 H THR A 22 0.025 -10.952 -6.819 1.00 65.33 H new ATOM 0 HA THR A 22 2.542 -10.331 -5.449 1.00 23.43 H new ATOM 0 HB THR A 22 2.069 -9.158 -7.572 1.00 64.23 H new ATOM 0 HG1 THR A 22 1.885 -7.494 -5.225 1.00 51.42 H new ATOM 0 HG21 THR A 22 0.223 -7.528 -7.705 1.00 34.13 H new ATOM 0 HG22 THR A 22 -0.379 -9.188 -7.487 1.00 34.13 H new ATOM 0 HG23 THR A 22 -0.357 -8.061 -6.109 1.00 34.13 H new ATOM 324 N SER A 23 0.388 -10.568 -3.611 1.00 3.33 N ATOM 325 CA SER A 23 -0.304 -10.287 -2.359 1.00 15.33 C ATOM 326 C SER A 23 0.678 -10.246 -1.192 1.00 14.51 C ATOM 327 O SER A 23 1.122 -9.175 -0.777 1.00 53.34 O ATOM 328 CB SER A 23 -1.380 -11.343 -2.098 1.00 63.31 C ATOM 329 OG SER A 23 -1.869 -11.256 -0.771 1.00 72.31 O ATOM 0 H SER A 23 0.507 -11.561 -3.814 1.00 3.33 H new ATOM 0 HA SER A 23 -0.778 -9.309 -2.447 1.00 15.33 H new ATOM 0 HB2 SER A 23 -2.202 -11.210 -2.801 1.00 63.31 H new ATOM 0 HB3 SER A 23 -0.968 -12.337 -2.273 1.00 63.31 H new ATOM 0 HG SER A 23 -2.556 -11.940 -0.630 1.00 72.31 H new ATOM 335 N ASP A 24 1.012 -11.419 -0.667 1.00 31.13 N ATOM 336 CA ASP A 24 1.942 -11.519 0.452 1.00 61.01 C ATOM 337 C ASP A 24 2.154 -12.975 0.854 1.00 35.24 C ATOM 338 O ASP A 24 1.446 -13.500 1.714 1.00 3.31 O ATOM 339 CB ASP A 24 1.424 -10.717 1.647 1.00 43.33 C ATOM 340 CG ASP A 24 2.269 -9.490 1.931 1.00 63.45 C ATOM 341 OD1 ASP A 24 3.510 -9.591 1.837 1.00 43.12 O ATOM 342 OD2 ASP A 24 1.690 -8.430 2.247 1.00 33.33 O ATOM 0 H ASP A 24 0.653 -12.314 -0.998 1.00 31.13 H new ATOM 0 HA ASP A 24 2.899 -11.106 0.135 1.00 61.01 H new ATOM 0 HB2 ASP A 24 0.396 -10.410 1.457 1.00 43.33 H new ATOM 0 HB3 ASP A 24 1.408 -11.356 2.530 1.00 43.33 H new ATOM 347 N GLN A 25 3.130 -13.622 0.226 1.00 1.30 N ATOM 348 CA GLN A 25 3.433 -15.018 0.518 1.00 53.20 C ATOM 349 C GLN A 25 4.274 -15.139 1.784 1.00 30.23 C ATOM 350 O GLN A 25 4.885 -14.176 2.247 1.00 24.13 O ATOM 351 CB GLN A 25 4.168 -15.660 -0.660 1.00 55.52 C ATOM 352 CG GLN A 25 3.241 -16.319 -1.669 1.00 51.41 C ATOM 353 CD GLN A 25 2.259 -15.341 -2.285 1.00 63.32 C ATOM 354 OE1 GLN A 25 1.147 -15.164 -1.787 1.00 41.33 O ATOM 355 NE2 GLN A 25 2.666 -14.701 -3.375 1.00 2.32 N ATOM 0 H GLN A 25 3.725 -13.202 -0.488 1.00 1.30 H new ATOM 0 HA GLN A 25 2.491 -15.542 0.678 1.00 53.20 H new ATOM 0 HB2 GLN A 25 4.760 -14.898 -1.167 1.00 55.52 H new ATOM 0 HB3 GLN A 25 4.866 -16.406 -0.279 1.00 55.52 H new ATOM 0 HG2 GLN A 25 3.836 -16.776 -2.459 1.00 51.41 H new ATOM 0 HG3 GLN A 25 2.690 -17.122 -1.180 1.00 51.41 H new ATOM 0 HE21 GLN A 25 3.596 -14.879 -3.753 1.00 2.32 H new ATOM 0 HE22 GLN A 25 2.048 -14.032 -3.834 1.00 2.32 H new ATOM 364 N PRO A 26 4.307 -16.350 2.360 1.00 70.55 N ATOM 365 CA PRO A 26 5.070 -16.627 3.580 1.00 1.53 C ATOM 366 C PRO A 26 6.571 -16.698 3.322 1.00 42.31 C ATOM 367 O PRO A 26 7.035 -16.413 2.219 1.00 42.04 O ATOM 368 CB PRO A 26 4.540 -17.990 4.030 1.00 74.35 C ATOM 369 CG PRO A 26 4.056 -18.639 2.779 1.00 63.42 C ATOM 370 CD PRO A 26 3.602 -17.544 1.862 1.00 2.12 C ATOM 0 HA PRO A 26 4.947 -15.840 4.324 1.00 1.53 H new ATOM 0 HB2 PRO A 26 5.322 -18.582 4.506 1.00 74.35 H new ATOM 0 HB3 PRO A 26 3.735 -17.882 4.757 1.00 74.35 H new ATOM 0 HG2 PRO A 26 4.851 -19.224 2.316 1.00 63.42 H new ATOM 0 HG3 PRO A 26 3.237 -19.326 2.993 1.00 63.42 H new ATOM 0 HD2 PRO A 26 3.862 -17.758 0.825 1.00 2.12 H new ATOM 0 HD3 PRO A 26 2.520 -17.414 1.900 1.00 2.12 H new ATOM 378 N GLY A 27 7.326 -17.080 4.347 1.00 24.43 N ATOM 379 CA GLY A 27 8.767 -17.182 4.210 1.00 65.41 C ATOM 380 C GLY A 27 9.204 -18.524 3.656 1.00 74.21 C ATOM 381 O GLY A 27 8.376 -19.402 3.414 1.00 53.01 O ATOM 0 H GLY A 27 6.965 -17.321 5.270 1.00 24.43 H new ATOM 0 HA2 GLY A 27 9.123 -16.388 3.554 1.00 65.41 H new ATOM 0 HA3 GLY A 27 9.233 -17.025 5.183 1.00 65.41 H new ATOM 385 N ALA A 28 10.507 -18.683 3.453 1.00 63.42 N ATOM 386 CA ALA A 28 11.052 -19.928 2.924 1.00 13.20 C ATOM 387 C ALA A 28 11.425 -20.886 4.050 1.00 3.20 C ATOM 388 O ALA A 28 12.220 -20.549 4.927 1.00 71.02 O ATOM 389 CB ALA A 28 12.262 -19.644 2.047 1.00 40.32 C ATOM 0 H ALA A 28 11.206 -17.965 3.647 1.00 63.42 H new ATOM 0 HA ALA A 28 10.282 -20.404 2.317 1.00 13.20 H new ATOM 0 HB1 ALA A 28 12.658 -20.582 1.659 1.00 40.32 H new ATOM 0 HB2 ALA A 28 11.967 -19.004 1.216 1.00 40.32 H new ATOM 0 HB3 ALA A 28 13.029 -19.142 2.637 1.00 40.32 H new ATOM 395 N GLY A 29 10.846 -22.082 4.020 1.00 71.32 N ATOM 396 CA GLY A 29 11.130 -23.070 5.044 1.00 62.30 C ATOM 397 C GLY A 29 10.079 -23.092 6.136 1.00 22.21 C ATOM 398 O GLY A 29 9.867 -22.093 6.823 1.00 3.11 O ATOM 0 H GLY A 29 10.185 -22.385 3.304 1.00 71.32 H new ATOM 0 HA2 GLY A 29 11.193 -24.057 4.585 1.00 62.30 H new ATOM 0 HA3 GLY A 29 12.104 -22.861 5.486 1.00 62.30 H new ATOM 402 N ASP A 30 9.418 -24.233 6.296 1.00 64.41 N ATOM 403 CA ASP A 30 8.383 -24.381 7.312 1.00 72.40 C ATOM 404 C ASP A 30 8.143 -25.853 7.633 1.00 31.40 C ATOM 405 O ASP A 30 7.001 -26.297 7.743 1.00 54.53 O ATOM 406 CB ASP A 30 7.081 -23.730 6.842 1.00 31.34 C ATOM 407 CG ASP A 30 7.081 -22.227 7.042 1.00 74.45 C ATOM 408 OD1 ASP A 30 7.231 -21.782 8.199 1.00 43.24 O ATOM 409 OD2 ASP A 30 6.931 -21.497 6.040 1.00 13.32 O ATOM 0 H ASP A 30 9.581 -25.069 5.735 1.00 64.41 H new ATOM 0 HA ASP A 30 8.724 -23.881 8.219 1.00 72.40 H new ATOM 0 HB2 ASP A 30 6.927 -23.953 5.786 1.00 31.34 H new ATOM 0 HB3 ASP A 30 6.243 -24.166 7.386 1.00 31.34 H new ATOM 414 N ASN A 31 9.228 -26.606 7.781 1.00 3.14 N ATOM 415 CA ASN A 31 9.136 -28.029 8.088 1.00 12.31 C ATOM 416 C ASN A 31 10.518 -28.621 8.345 1.00 2.35 C ATOM 417 O ASN A 31 11.536 -27.950 8.168 1.00 51.02 O ATOM 418 CB ASN A 31 8.454 -28.776 6.940 1.00 44.00 C ATOM 419 CG ASN A 31 7.026 -29.163 7.269 1.00 33.25 C ATOM 420 OD1 ASN A 31 6.077 -28.611 6.712 1.00 32.21 O ATOM 421 ND2 ASN A 31 6.866 -30.117 8.180 1.00 43.31 N ATOM 0 H ASN A 31 10.182 -26.255 7.693 1.00 3.14 H new ATOM 0 HA ASN A 31 8.538 -28.142 8.993 1.00 12.31 H new ATOM 0 HB2 ASN A 31 8.461 -28.150 6.048 1.00 44.00 H new ATOM 0 HB3 ASN A 31 9.026 -29.674 6.704 1.00 44.00 H new ATOM 0 HD21 ASN A 31 5.928 -30.419 8.443 1.00 43.31 H new ATOM 0 HD22 ASN A 31 7.681 -30.547 8.616 1.00 43.31 H new ATOM 428 N LEU A 32 10.547 -29.881 8.764 1.00 22.04 N ATOM 429 CA LEU A 32 11.805 -30.565 9.046 1.00 54.01 C ATOM 430 C LEU A 32 12.675 -30.641 7.795 1.00 33.44 C ATOM 431 O LEU A 32 12.401 -29.978 6.796 1.00 65.42 O ATOM 432 CB LEU A 32 11.534 -31.973 9.579 1.00 11.25 C ATOM 433 CG LEU A 32 12.364 -32.403 10.789 1.00 20.23 C ATOM 434 CD1 LEU A 32 12.163 -31.437 11.946 1.00 53.50 C ATOM 435 CD2 LEU A 32 12.002 -33.821 11.207 1.00 0.14 C ATOM 0 H LEU A 32 9.714 -30.450 8.916 1.00 22.04 H new ATOM 0 HA LEU A 32 12.340 -29.993 9.804 1.00 54.01 H new ATOM 0 HB2 LEU A 32 10.479 -32.043 9.844 1.00 11.25 H new ATOM 0 HB3 LEU A 32 11.708 -32.685 8.772 1.00 11.25 H new ATOM 0 HG LEU A 32 13.417 -32.386 10.507 1.00 20.23 H new ATOM 0 HD11 LEU A 32 12.762 -31.760 12.798 1.00 53.50 H new ATOM 0 HD12 LEU A 32 12.473 -30.437 11.643 1.00 53.50 H new ATOM 0 HD13 LEU A 32 11.110 -31.421 12.228 1.00 53.50 H new ATOM 0 HD21 LEU A 32 12.602 -34.111 12.069 1.00 0.14 H new ATOM 0 HD22 LEU A 32 10.945 -33.864 11.470 1.00 0.14 H new ATOM 0 HD23 LEU A 32 12.199 -34.505 10.382 1.00 0.14 H new ATOM 447 N ASN A 33 13.723 -31.456 7.859 1.00 74.52 N ATOM 448 CA ASN A 33 14.632 -31.621 6.731 1.00 62.13 C ATOM 449 C ASN A 33 13.864 -31.970 5.459 1.00 4.42 C ATOM 450 O ASN A 33 13.438 -33.109 5.272 1.00 60.21 O ATOM 451 CB ASN A 33 15.661 -32.712 7.034 1.00 63.14 C ATOM 452 CG ASN A 33 15.050 -33.900 7.750 1.00 21.55 C ATOM 453 OD1 ASN A 33 14.762 -33.837 8.946 1.00 74.44 O ATOM 454 ND2 ASN A 33 14.850 -34.992 7.021 1.00 21.23 N ATOM 0 H ASN A 33 13.963 -32.012 8.680 1.00 74.52 H new ATOM 0 HA ASN A 33 15.150 -30.675 6.573 1.00 62.13 H new ATOM 0 HB2 ASN A 33 16.116 -33.048 6.102 1.00 63.14 H new ATOM 0 HB3 ASN A 33 16.460 -32.294 7.646 1.00 63.14 H new ATOM 0 HD21 ASN A 33 14.443 -35.823 7.449 1.00 21.23 H new ATOM 0 HD22 ASN A 33 15.104 -34.999 6.033 1.00 21.23 H new ATOM 461 N ASP A 34 13.693 -30.981 4.589 1.00 52.22 N ATOM 462 CA ASP A 34 12.978 -31.183 3.334 1.00 40.52 C ATOM 463 C ASP A 34 13.190 -30.001 2.392 1.00 60.41 C ATOM 464 O ASP A 34 12.265 -29.567 1.705 1.00 61.21 O ATOM 465 CB ASP A 34 11.484 -31.378 3.599 1.00 44.05 C ATOM 466 CG ASP A 34 10.807 -32.197 2.518 1.00 62.35 C ATOM 467 OD1 ASP A 34 11.452 -33.124 1.984 1.00 43.40 O ATOM 468 OD2 ASP A 34 9.632 -31.912 2.204 1.00 2.45 O ATOM 0 H ASP A 34 14.039 -30.032 4.729 1.00 52.22 H new ATOM 0 HA ASP A 34 13.375 -32.080 2.858 1.00 40.52 H new ATOM 0 HB2 ASP A 34 11.350 -31.871 4.562 1.00 44.05 H new ATOM 0 HB3 ASP A 34 11.000 -30.404 3.669 1.00 44.05 H new ATOM 473 N LYS A 35 14.414 -29.485 2.365 1.00 12.44 N ATOM 474 CA LYS A 35 14.749 -28.354 1.508 1.00 11.33 C ATOM 475 C LYS A 35 15.036 -28.817 0.084 1.00 53.14 C ATOM 476 O LYS A 35 16.062 -29.444 -0.180 1.00 43.32 O ATOM 477 CB LYS A 35 15.962 -27.606 2.067 1.00 52.13 C ATOM 478 CG LYS A 35 15.646 -26.194 2.528 1.00 2.24 C ATOM 479 CD LYS A 35 15.120 -25.339 1.388 1.00 43.42 C ATOM 480 CE LYS A 35 16.137 -25.225 0.262 1.00 12.41 C ATOM 481 NZ LYS A 35 16.471 -23.806 -0.042 1.00 2.44 N ATOM 0 H LYS A 35 15.191 -29.832 2.927 1.00 12.44 H new ATOM 0 HA LYS A 35 13.893 -27.680 1.486 1.00 11.33 H new ATOM 0 HB2 LYS A 35 16.371 -28.170 2.905 1.00 52.13 H new ATOM 0 HB3 LYS A 35 16.737 -27.565 1.302 1.00 52.13 H new ATOM 0 HG2 LYS A 35 14.907 -26.229 3.329 1.00 2.24 H new ATOM 0 HG3 LYS A 35 16.544 -25.736 2.943 1.00 2.24 H new ATOM 0 HD2 LYS A 35 14.196 -25.772 1.003 1.00 43.42 H new ATOM 0 HD3 LYS A 35 14.875 -24.344 1.761 1.00 43.42 H new ATOM 0 HE2 LYS A 35 17.045 -25.761 0.537 1.00 12.41 H new ATOM 0 HE3 LYS A 35 15.743 -25.705 -0.634 1.00 12.41 H new ATOM 0 HZ1 LYS A 35 17.167 -23.771 -0.814 1.00 2.44 H new ATOM 0 HZ2 LYS A 35 15.609 -23.300 -0.329 1.00 2.44 H new ATOM 0 HZ3 LYS A 35 16.871 -23.354 0.805 1.00 2.44 H new ATOM 495 N ILE A 36 14.124 -28.503 -0.830 1.00 72.45 N ATOM 496 CA ILE A 36 14.281 -28.886 -2.228 1.00 41.32 C ATOM 497 C ILE A 36 13.253 -28.184 -3.109 1.00 40.01 C ATOM 498 O ILE A 36 12.086 -28.574 -3.151 1.00 23.15 O ATOM 499 CB ILE A 36 14.146 -30.409 -2.414 1.00 53.51 C ATOM 500 CG1 ILE A 36 13.988 -30.751 -3.897 1.00 22.31 C ATOM 501 CG2 ILE A 36 12.964 -30.937 -1.614 1.00 42.33 C ATOM 502 CD1 ILE A 36 14.724 -32.007 -4.308 1.00 73.52 C ATOM 0 H ILE A 36 13.269 -27.985 -0.628 1.00 72.45 H new ATOM 0 HA ILE A 36 15.283 -28.580 -2.528 1.00 41.32 H new ATOM 0 HB ILE A 36 15.053 -30.888 -2.045 1.00 53.51 H new ATOM 0 HG12 ILE A 36 12.928 -30.870 -4.124 1.00 22.31 H new ATOM 0 HG13 ILE A 36 14.350 -29.915 -4.495 1.00 22.31 H new ATOM 0 HG21 ILE A 36 12.881 -32.015 -1.755 1.00 42.33 H new ATOM 0 HG22 ILE A 36 13.115 -30.720 -0.556 1.00 42.33 H new ATOM 0 HG23 ILE A 36 12.048 -30.455 -1.956 1.00 42.33 H new ATOM 0 HD11 ILE A 36 14.568 -32.189 -5.371 1.00 73.52 H new ATOM 0 HD12 ILE A 36 15.789 -31.885 -4.113 1.00 73.52 H new ATOM 0 HD13 ILE A 36 14.346 -32.854 -3.736 1.00 73.52 H new ATOM 514 N SER A 37 13.695 -27.147 -3.814 1.00 32.21 N ATOM 515 CA SER A 37 12.813 -26.389 -4.693 1.00 73.14 C ATOM 516 C SER A 37 13.615 -25.455 -5.594 1.00 3.44 C ATOM 517 O SER A 37 14.838 -25.564 -5.688 1.00 73.22 O ATOM 518 CB SER A 37 11.807 -25.583 -3.870 1.00 14.22 C ATOM 519 OG SER A 37 12.436 -24.489 -3.224 1.00 71.51 O ATOM 0 H SER A 37 14.659 -26.813 -3.793 1.00 32.21 H new ATOM 0 HA SER A 37 12.273 -27.097 -5.322 1.00 73.14 H new ATOM 0 HB2 SER A 37 11.011 -25.217 -4.519 1.00 14.22 H new ATOM 0 HB3 SER A 37 11.340 -26.229 -3.126 1.00 14.22 H new ATOM 0 HG SER A 37 11.771 -23.989 -2.706 1.00 71.51 H new ATOM 525 N SER A 38 12.918 -24.535 -6.253 1.00 71.32 N ATOM 526 CA SER A 38 13.564 -23.583 -7.149 1.00 74.34 C ATOM 527 C SER A 38 13.185 -22.151 -6.785 1.00 20.03 C ATOM 528 O SER A 38 12.159 -21.912 -6.146 1.00 64.15 O ATOM 529 CB SER A 38 13.175 -23.872 -8.601 1.00 15.15 C ATOM 530 OG SER A 38 13.644 -22.854 -9.467 1.00 5.43 O ATOM 0 H SER A 38 11.906 -24.429 -6.183 1.00 71.32 H new ATOM 0 HA SER A 38 14.643 -23.694 -7.040 1.00 74.34 H new ATOM 0 HB2 SER A 38 13.588 -24.833 -8.907 1.00 15.15 H new ATOM 0 HB3 SER A 38 12.091 -23.951 -8.681 1.00 15.15 H new ATOM 0 HG SER A 38 14.573 -22.636 -9.242 1.00 5.43 H new ATOM 536 N ILE A 39 14.020 -21.202 -7.194 1.00 63.45 N ATOM 537 CA ILE A 39 13.773 -19.794 -6.912 1.00 44.13 C ATOM 538 C ILE A 39 13.885 -18.952 -8.179 1.00 11.22 C ATOM 539 O ILE A 39 14.786 -19.152 -8.994 1.00 34.11 O ATOM 540 CB ILE A 39 14.757 -19.250 -5.859 1.00 50.14 C ATOM 541 CG1 ILE A 39 14.006 -18.847 -4.589 1.00 1.43 C ATOM 542 CG2 ILE A 39 15.533 -18.068 -6.420 1.00 50.44 C ATOM 543 CD1 ILE A 39 13.219 -17.563 -4.734 1.00 35.32 C ATOM 0 H ILE A 39 14.874 -21.383 -7.722 1.00 63.45 H new ATOM 0 HA ILE A 39 12.758 -19.724 -6.520 1.00 44.13 H new ATOM 0 HB ILE A 39 15.467 -20.037 -5.605 1.00 50.14 H new ATOM 0 HG12 ILE A 39 13.326 -19.651 -4.308 1.00 1.43 H new ATOM 0 HG13 ILE A 39 14.721 -18.735 -3.774 1.00 1.43 H new ATOM 0 HG21 ILE A 39 16.224 -17.695 -5.664 1.00 50.44 H new ATOM 0 HG22 ILE A 39 16.094 -18.385 -7.299 1.00 50.44 H new ATOM 0 HG23 ILE A 39 14.838 -17.276 -6.699 1.00 50.44 H new ATOM 0 HD11 ILE A 39 12.712 -17.339 -3.795 1.00 35.32 H new ATOM 0 HD12 ILE A 39 13.897 -16.747 -4.984 1.00 35.32 H new ATOM 0 HD13 ILE A 39 12.480 -17.677 -5.527 1.00 35.32 H new ATOM 555 N LYS A 40 12.964 -18.007 -8.337 1.00 43.12 N ATOM 556 CA LYS A 40 12.959 -17.131 -9.503 1.00 3.45 C ATOM 557 C LYS A 40 12.702 -15.684 -9.094 1.00 50.41 C ATOM 558 O LYS A 40 11.700 -15.380 -8.447 1.00 54.53 O ATOM 559 CB LYS A 40 11.896 -17.586 -10.504 1.00 54.22 C ATOM 560 CG LYS A 40 12.271 -17.321 -11.952 1.00 72.41 C ATOM 561 CD LYS A 40 11.046 -17.300 -12.851 1.00 14.14 C ATOM 562 CE LYS A 40 11.378 -17.774 -14.257 1.00 54.32 C ATOM 563 NZ LYS A 40 10.160 -18.198 -15.002 1.00 14.23 N ATOM 0 H LYS A 40 12.211 -17.828 -7.672 1.00 43.12 H new ATOM 0 HA LYS A 40 13.940 -17.188 -9.974 1.00 3.45 H new ATOM 0 HB2 LYS A 40 11.719 -18.653 -10.373 1.00 54.22 H new ATOM 0 HB3 LYS A 40 10.958 -17.077 -10.281 1.00 54.22 H new ATOM 0 HG2 LYS A 40 12.793 -16.367 -12.025 1.00 72.41 H new ATOM 0 HG3 LYS A 40 12.963 -18.090 -12.296 1.00 72.41 H new ATOM 0 HD2 LYS A 40 10.270 -17.936 -12.425 1.00 14.14 H new ATOM 0 HD3 LYS A 40 10.642 -16.289 -12.893 1.00 14.14 H new ATOM 0 HE2 LYS A 40 11.876 -16.972 -14.802 1.00 54.32 H new ATOM 0 HE3 LYS A 40 12.079 -18.607 -14.203 1.00 54.32 H new ATOM 0 HZ1 LYS A 40 10.429 -18.514 -15.956 1.00 14.23 H new ATOM 0 HZ2 LYS A 40 9.698 -18.980 -14.495 1.00 14.23 H new ATOM 0 HZ3 LYS A 40 9.502 -17.396 -15.076 1.00 14.23 H new ATOM 577 N VAL A 41 13.613 -14.794 -9.477 1.00 73.31 N ATOM 578 CA VAL A 41 13.483 -13.379 -9.153 1.00 13.21 C ATOM 579 C VAL A 41 13.433 -12.528 -10.417 1.00 1.22 C ATOM 580 O VAL A 41 14.163 -12.778 -11.376 1.00 40.33 O ATOM 581 CB VAL A 41 14.647 -12.896 -8.268 1.00 24.42 C ATOM 582 CG1 VAL A 41 15.983 -13.267 -8.894 1.00 21.10 C ATOM 583 CG2 VAL A 41 14.555 -11.395 -8.038 1.00 61.51 C ATOM 0 H VAL A 41 14.449 -15.029 -10.012 1.00 73.31 H new ATOM 0 HA VAL A 41 12.548 -13.265 -8.604 1.00 13.21 H new ATOM 0 HB VAL A 41 14.575 -13.393 -7.301 1.00 24.42 H new ATOM 0 HG11 VAL A 41 16.794 -12.918 -8.255 1.00 21.10 H new ATOM 0 HG12 VAL A 41 16.046 -14.350 -9.001 1.00 21.10 H new ATOM 0 HG13 VAL A 41 16.067 -12.800 -9.875 1.00 21.10 H new ATOM 0 HG21 VAL A 41 15.386 -11.071 -7.411 1.00 61.51 H new ATOM 0 HG22 VAL A 41 14.600 -10.877 -8.996 1.00 61.51 H new ATOM 0 HG23 VAL A 41 13.613 -11.160 -7.543 1.00 61.51 H new ATOM 593 N LYS A 42 12.567 -11.520 -10.411 1.00 62.02 N ATOM 594 CA LYS A 42 12.422 -10.629 -11.556 1.00 70.02 C ATOM 595 C LYS A 42 12.172 -9.195 -11.101 1.00 44.32 C ATOM 596 O LYS A 42 11.360 -8.480 -11.688 1.00 42.21 O ATOM 597 CB LYS A 42 11.273 -11.099 -12.451 1.00 40.45 C ATOM 598 CG LYS A 42 11.457 -10.740 -13.916 1.00 4.02 C ATOM 599 CD LYS A 42 11.669 -11.978 -14.771 1.00 21.12 C ATOM 600 CE LYS A 42 12.968 -12.685 -14.416 1.00 30.34 C ATOM 601 NZ LYS A 42 12.725 -14.045 -13.859 1.00 70.24 N ATOM 0 H LYS A 42 11.955 -11.300 -9.625 1.00 62.02 H new ATOM 0 HA LYS A 42 13.352 -10.654 -12.125 1.00 70.02 H new ATOM 0 HB2 LYS A 42 11.172 -12.181 -12.361 1.00 40.45 H new ATOM 0 HB3 LYS A 42 10.342 -10.661 -12.092 1.00 40.45 H new ATOM 0 HG2 LYS A 42 10.581 -10.197 -14.271 1.00 4.02 H new ATOM 0 HG3 LYS A 42 12.312 -10.072 -14.023 1.00 4.02 H new ATOM 0 HD2 LYS A 42 10.832 -12.663 -14.635 1.00 21.12 H new ATOM 0 HD3 LYS A 42 11.683 -11.696 -15.824 1.00 21.12 H new ATOM 0 HE2 LYS A 42 13.594 -12.763 -15.305 1.00 30.34 H new ATOM 0 HE3 LYS A 42 13.520 -12.088 -13.690 1.00 30.34 H new ATOM 0 HZ1 LYS A 42 13.569 -14.364 -13.341 1.00 70.24 H new ATOM 0 HZ2 LYS A 42 11.912 -14.015 -13.211 1.00 70.24 H new ATOM 0 HZ3 LYS A 42 12.525 -14.707 -14.635 1.00 70.24 H new ATOM 615 N SER A 43 12.877 -8.780 -10.053 1.00 50.02 N ATOM 616 CA SER A 43 12.730 -7.431 -9.518 1.00 72.44 C ATOM 617 C SER A 43 13.659 -7.215 -8.328 1.00 15.25 C ATOM 618 O SER A 43 13.536 -7.881 -7.301 1.00 34.41 O ATOM 619 CB SER A 43 11.279 -7.181 -9.101 1.00 24.13 C ATOM 620 OG SER A 43 10.608 -8.400 -8.833 1.00 62.01 O ATOM 0 H SER A 43 13.556 -9.358 -9.558 1.00 50.02 H new ATOM 0 HA SER A 43 13.002 -6.723 -10.301 1.00 72.44 H new ATOM 0 HB2 SER A 43 11.256 -6.547 -8.214 1.00 24.13 H new ATOM 0 HB3 SER A 43 10.758 -6.642 -9.892 1.00 24.13 H new ATOM 0 HG SER A 43 10.047 -8.640 -9.600 1.00 62.01 H new ATOM 626 N GLY A 44 14.589 -6.276 -8.474 1.00 22.44 N ATOM 627 CA GLY A 44 15.526 -5.988 -7.403 1.00 50.25 C ATOM 628 C GLY A 44 16.222 -7.233 -6.890 1.00 54.13 C ATOM 629 O GLY A 44 16.407 -8.200 -7.630 1.00 41.00 O ATOM 0 H GLY A 44 14.710 -5.710 -9.314 1.00 22.44 H new ATOM 0 HA2 GLY A 44 16.273 -5.279 -7.759 1.00 50.25 H new ATOM 0 HA3 GLY A 44 14.996 -5.507 -6.581 1.00 50.25 H new ATOM 633 N THR A 45 16.610 -7.211 -5.619 1.00 41.30 N ATOM 634 CA THR A 45 17.292 -8.345 -5.008 1.00 52.32 C ATOM 635 C THR A 45 16.744 -8.630 -3.614 1.00 42.25 C ATOM 636 O THR A 45 16.192 -7.744 -2.961 1.00 61.44 O ATOM 637 CB THR A 45 18.810 -8.102 -4.911 1.00 52.21 C ATOM 638 OG1 THR A 45 19.088 -7.143 -3.885 1.00 12.14 O ATOM 639 CG2 THR A 45 19.365 -7.607 -6.238 1.00 54.33 C ATOM 0 H THR A 45 16.463 -6.420 -4.992 1.00 41.30 H new ATOM 0 HA THR A 45 17.110 -9.207 -5.650 1.00 52.32 H new ATOM 0 HB THR A 45 19.292 -9.048 -4.664 1.00 52.21 H new ATOM 0 HG1 THR A 45 20.055 -6.995 -3.829 1.00 12.14 H new ATOM 0 HG21 THR A 45 20.438 -7.442 -6.145 1.00 54.33 H new ATOM 0 HG22 THR A 45 19.178 -8.352 -7.011 1.00 54.33 H new ATOM 0 HG23 THR A 45 18.877 -6.671 -6.510 1.00 54.33 H new ATOM 647 N TRP A 46 16.901 -9.870 -3.165 1.00 10.52 N ATOM 648 CA TRP A 46 16.422 -10.271 -1.847 1.00 1.42 C ATOM 649 C TRP A 46 17.556 -10.851 -1.009 1.00 71.31 C ATOM 650 O TRP A 46 18.678 -11.008 -1.490 1.00 42.34 O ATOM 651 CB TRP A 46 15.294 -11.295 -1.981 1.00 63.13 C ATOM 652 CG TRP A 46 14.352 -10.996 -3.108 1.00 33.53 C ATOM 653 CD1 TRP A 46 13.874 -9.770 -3.474 1.00 25.43 C ATOM 654 CD2 TRP A 46 13.771 -11.942 -4.013 1.00 2.23 C ATOM 655 NE1 TRP A 46 13.032 -9.897 -4.552 1.00 1.41 N ATOM 656 CE2 TRP A 46 12.953 -11.218 -4.902 1.00 73.42 C ATOM 657 CE3 TRP A 46 13.865 -13.328 -4.160 1.00 34.32 C ATOM 658 CZ2 TRP A 46 12.233 -11.837 -5.921 1.00 41.32 C ATOM 659 CZ3 TRP A 46 13.150 -13.940 -5.171 1.00 75.54 C ATOM 660 CH2 TRP A 46 12.343 -13.195 -6.042 1.00 20.40 C ATOM 0 H TRP A 46 17.356 -10.615 -3.693 1.00 10.52 H new ATOM 0 HA TRP A 46 16.039 -9.384 -1.342 1.00 1.42 H new ATOM 0 HB2 TRP A 46 15.727 -12.284 -2.131 1.00 63.13 H new ATOM 0 HB3 TRP A 46 14.733 -11.331 -1.047 1.00 63.13 H new ATOM 0 HD1 TRP A 46 14.122 -8.838 -2.988 1.00 25.43 H new ATOM 0 HE1 TRP A 46 12.545 -9.131 -5.017 1.00 1.41 H new ATOM 0 HE3 TRP A 46 14.486 -13.911 -3.495 1.00 34.32 H new ATOM 0 HZ2 TRP A 46 11.610 -11.265 -6.592 1.00 41.32 H new ATOM 0 HZ3 TRP A 46 13.214 -15.011 -5.293 1.00 75.54 H new ATOM 0 HH2 TRP A 46 11.798 -13.703 -6.824 1.00 20.40 H new ATOM 671 N ARG A 47 17.256 -11.169 0.246 1.00 71.41 N ATOM 672 CA ARG A 47 18.251 -11.732 1.150 1.00 23.23 C ATOM 673 C ARG A 47 17.779 -13.069 1.714 1.00 23.22 C ATOM 674 O ARG A 47 16.717 -13.154 2.331 1.00 24.54 O ATOM 675 CB ARG A 47 18.541 -10.758 2.294 1.00 61.13 C ATOM 676 CG ARG A 47 19.103 -9.424 1.830 1.00 74.03 C ATOM 677 CD ARG A 47 18.052 -8.326 1.890 1.00 21.22 C ATOM 678 NE ARG A 47 18.169 -7.523 3.105 1.00 74.54 N ATOM 679 CZ ARG A 47 17.179 -6.786 3.596 1.00 50.12 C ATOM 680 NH1 ARG A 47 16.006 -6.750 2.980 1.00 74.15 N ATOM 681 NH2 ARG A 47 17.362 -6.083 4.706 1.00 11.30 N ATOM 0 H ARG A 47 16.332 -11.046 0.660 1.00 71.41 H new ATOM 0 HA ARG A 47 19.167 -11.899 0.583 1.00 23.23 H new ATOM 0 HB2 ARG A 47 17.621 -10.581 2.851 1.00 61.13 H new ATOM 0 HB3 ARG A 47 19.247 -11.220 2.983 1.00 61.13 H new ATOM 0 HG2 ARG A 47 19.954 -9.149 2.454 1.00 74.03 H new ATOM 0 HG3 ARG A 47 19.474 -9.519 0.809 1.00 74.03 H new ATOM 0 HD2 ARG A 47 18.152 -7.680 1.018 1.00 21.22 H new ATOM 0 HD3 ARG A 47 17.058 -8.772 1.844 1.00 21.22 H new ATOM 0 HE ARG A 47 19.059 -7.529 3.603 1.00 74.54 H new ATOM 0 HH11 ARG A 47 15.861 -7.289 2.126 1.00 74.15 H new ATOM 0 HH12 ARG A 47 15.248 -6.183 3.360 1.00 74.15 H new ATOM 0 HH21 ARG A 47 18.263 -6.108 5.183 1.00 11.30 H new ATOM 0 HH22 ARG A 47 16.601 -5.517 5.083 1.00 11.30 H new ATOM 695 N PHE A 48 18.575 -14.111 1.497 1.00 23.03 N ATOM 696 CA PHE A 48 18.239 -15.444 1.982 1.00 35.43 C ATOM 697 C PHE A 48 19.131 -15.838 3.156 1.00 14.52 C ATOM 698 O PHE A 48 20.356 -15.746 3.077 1.00 71.32 O ATOM 699 CB PHE A 48 18.378 -16.470 0.856 1.00 74.24 C ATOM 700 CG PHE A 48 17.077 -16.800 0.182 1.00 75.53 C ATOM 701 CD1 PHE A 48 16.229 -17.758 0.715 1.00 55.12 C ATOM 702 CD2 PHE A 48 16.701 -16.153 -0.984 1.00 63.35 C ATOM 703 CE1 PHE A 48 15.031 -18.064 0.096 1.00 22.11 C ATOM 704 CE2 PHE A 48 15.505 -16.455 -1.607 1.00 72.04 C ATOM 705 CZ PHE A 48 14.668 -17.411 -1.066 1.00 23.13 C ATOM 0 H PHE A 48 19.457 -14.058 0.988 1.00 23.03 H new ATOM 0 HA PHE A 48 17.204 -15.427 2.324 1.00 35.43 H new ATOM 0 HB2 PHE A 48 19.077 -16.088 0.112 1.00 74.24 H new ATOM 0 HB3 PHE A 48 18.811 -17.385 1.260 1.00 74.24 H new ATOM 0 HD1 PHE A 48 16.507 -18.271 1.624 1.00 55.12 H new ATOM 0 HD2 PHE A 48 17.351 -15.403 -1.411 1.00 63.35 H new ATOM 0 HE1 PHE A 48 14.379 -18.813 0.521 1.00 22.11 H new ATOM 0 HE2 PHE A 48 15.225 -15.944 -2.516 1.00 72.04 H new ATOM 0 HZ PHE A 48 13.732 -17.648 -1.550 1.00 23.13 H new ATOM 715 N TYR A 49 18.507 -16.274 4.245 1.00 60.33 N ATOM 716 CA TYR A 49 19.243 -16.679 5.437 1.00 50.42 C ATOM 717 C TYR A 49 18.619 -17.920 6.067 1.00 65.20 C ATOM 718 O TYR A 49 17.418 -17.958 6.331 1.00 62.43 O ATOM 719 CB TYR A 49 19.274 -15.537 6.454 1.00 35.15 C ATOM 720 CG TYR A 49 18.189 -14.506 6.241 1.00 75.04 C ATOM 721 CD1 TYR A 49 18.378 -13.439 5.371 1.00 21.03 C ATOM 722 CD2 TYR A 49 16.973 -14.600 6.908 1.00 41.44 C ATOM 723 CE1 TYR A 49 17.390 -12.494 5.174 1.00 73.44 C ATOM 724 CE2 TYR A 49 15.978 -13.660 6.715 1.00 64.41 C ATOM 725 CZ TYR A 49 16.192 -12.609 5.847 1.00 33.55 C ATOM 726 OH TYR A 49 15.204 -11.671 5.652 1.00 21.32 O ATOM 0 H TYR A 49 17.494 -16.356 4.327 1.00 60.33 H new ATOM 0 HA TYR A 49 20.264 -16.920 5.139 1.00 50.42 H new ATOM 0 HB2 TYR A 49 19.177 -15.952 7.457 1.00 35.15 H new ATOM 0 HB3 TYR A 49 20.245 -15.045 6.406 1.00 35.15 H new ATOM 0 HD1 TYR A 49 19.314 -13.347 4.840 1.00 21.03 H new ATOM 0 HD2 TYR A 49 16.803 -15.421 7.588 1.00 41.44 H new ATOM 0 HE1 TYR A 49 17.555 -11.669 4.496 1.00 73.44 H new ATOM 0 HE2 TYR A 49 15.039 -13.748 7.241 1.00 64.41 H new ATOM 0 HH TYR A 49 14.880 -11.352 6.520 1.00 21.32 H new ATOM 736 N GLU A 50 19.446 -18.933 6.306 1.00 63.42 N ATOM 737 CA GLU A 50 18.976 -20.177 6.905 1.00 65.01 C ATOM 738 C GLU A 50 19.274 -20.206 8.401 1.00 20.53 C ATOM 739 O GLU A 50 20.310 -20.716 8.829 1.00 2.53 O ATOM 740 CB GLU A 50 19.631 -21.378 6.220 1.00 62.42 C ATOM 741 CG GLU A 50 21.122 -21.207 5.984 1.00 4.34 C ATOM 742 CD GLU A 50 21.447 -20.827 4.553 1.00 41.42 C ATOM 743 OE1 GLU A 50 21.344 -19.628 4.218 1.00 32.05 O ATOM 744 OE2 GLU A 50 21.805 -21.729 3.767 1.00 52.13 O ATOM 0 H GLU A 50 20.444 -18.917 6.094 1.00 63.42 H new ATOM 0 HA GLU A 50 17.896 -20.233 6.766 1.00 65.01 H new ATOM 0 HB2 GLU A 50 19.468 -22.267 6.830 1.00 62.42 H new ATOM 0 HB3 GLU A 50 19.138 -21.553 5.264 1.00 62.42 H new ATOM 0 HG2 GLU A 50 21.507 -20.440 6.656 1.00 4.34 H new ATOM 0 HG3 GLU A 50 21.634 -22.136 6.234 1.00 4.34 H new ATOM 751 N TYR A 51 18.359 -19.657 9.191 1.00 15.23 N ATOM 752 CA TYR A 51 18.523 -19.617 10.639 1.00 2.24 C ATOM 753 C TYR A 51 17.462 -18.730 11.284 1.00 4.11 C ATOM 754 O TYR A 51 16.514 -18.300 10.627 1.00 72.31 O ATOM 755 CB TYR A 51 19.919 -19.106 11.001 1.00 21.51 C ATOM 756 CG TYR A 51 20.778 -20.136 11.701 1.00 53.22 C ATOM 757 CD1 TYR A 51 20.374 -20.706 12.902 1.00 72.14 C ATOM 758 CD2 TYR A 51 21.993 -20.539 11.160 1.00 13.32 C ATOM 759 CE1 TYR A 51 21.155 -21.646 13.544 1.00 25.25 C ATOM 760 CE2 TYR A 51 22.780 -21.479 11.795 1.00 22.44 C ATOM 761 CZ TYR A 51 22.358 -22.030 12.987 1.00 14.35 C ATOM 762 OH TYR A 51 23.139 -22.967 13.624 1.00 15.01 O ATOM 0 H TYR A 51 17.495 -19.233 8.853 1.00 15.23 H new ATOM 0 HA TYR A 51 18.404 -20.631 11.020 1.00 2.24 H new ATOM 0 HB2 TYR A 51 20.425 -18.781 10.092 1.00 21.51 H new ATOM 0 HB3 TYR A 51 19.821 -18.230 11.642 1.00 21.51 H new ATOM 0 HD1 TYR A 51 19.433 -20.409 13.341 1.00 72.14 H new ATOM 0 HD2 TYR A 51 22.327 -20.110 10.227 1.00 13.32 H new ATOM 0 HE1 TYR A 51 20.826 -22.079 14.477 1.00 25.25 H new ATOM 0 HE2 TYR A 51 23.721 -21.781 11.361 1.00 22.44 H new ATOM 0 HH TYR A 51 23.952 -23.126 13.100 1.00 15.01 H new ATOM 772 N ILE A 52 17.631 -18.460 12.574 1.00 11.31 N ATOM 773 CA ILE A 52 16.690 -17.623 13.308 1.00 12.11 C ATOM 774 C ILE A 52 16.506 -16.272 12.624 1.00 22.24 C ATOM 775 O ILE A 52 17.189 -15.961 11.649 1.00 35.02 O ATOM 776 CB ILE A 52 17.154 -17.393 14.758 1.00 11.54 C ATOM 777 CG1 ILE A 52 18.563 -16.797 14.778 1.00 41.14 C ATOM 778 CG2 ILE A 52 17.113 -18.697 15.541 1.00 44.41 C ATOM 779 CD1 ILE A 52 19.096 -16.551 16.172 1.00 64.34 C ATOM 0 H ILE A 52 18.410 -18.808 13.132 1.00 11.31 H new ATOM 0 HA ILE A 52 15.738 -18.154 13.320 1.00 12.11 H new ATOM 0 HB ILE A 52 16.474 -16.686 15.233 1.00 11.54 H new ATOM 0 HG12 ILE A 52 19.241 -17.470 14.252 1.00 41.14 H new ATOM 0 HG13 ILE A 52 18.558 -15.856 14.228 1.00 41.14 H new ATOM 0 HG21 ILE A 52 17.444 -18.518 16.564 1.00 44.41 H new ATOM 0 HG22 ILE A 52 16.094 -19.083 15.552 1.00 44.41 H new ATOM 0 HG23 ILE A 52 17.772 -19.426 15.069 1.00 44.41 H new ATOM 0 HD11 ILE A 52 20.099 -16.128 16.109 1.00 64.34 H new ATOM 0 HD12 ILE A 52 18.441 -15.854 16.694 1.00 64.34 H new ATOM 0 HD13 ILE A 52 19.133 -17.493 16.719 1.00 64.34 H new ATOM 791 N ASN A 53 15.580 -15.473 13.144 1.00 5.15 N ATOM 792 CA ASN A 53 15.308 -14.154 12.585 1.00 74.01 C ATOM 793 C ASN A 53 16.228 -13.102 13.197 1.00 31.40 C ATOM 794 O ASN A 53 15.819 -11.965 13.432 1.00 35.33 O ATOM 795 CB ASN A 53 13.846 -13.769 12.822 1.00 11.11 C ATOM 796 CG ASN A 53 12.880 -14.818 12.305 1.00 25.14 C ATOM 797 OD1 ASN A 53 13.284 -15.784 11.657 1.00 3.40 O ATOM 798 ND2 ASN A 53 11.597 -14.633 12.591 1.00 11.40 N ATOM 0 H ASN A 53 15.006 -15.716 13.951 1.00 5.15 H new ATOM 0 HA ASN A 53 15.497 -14.196 11.512 1.00 74.01 H new ATOM 0 HB2 ASN A 53 13.681 -13.621 13.889 1.00 11.11 H new ATOM 0 HB3 ASN A 53 13.640 -12.817 12.333 1.00 11.11 H new ATOM 0 HD21 ASN A 53 10.901 -15.306 12.271 1.00 11.40 H new ATOM 0 HD22 ASN A 53 11.307 -13.818 13.131 1.00 11.40 H new ATOM 805 N TYR A 54 17.473 -13.490 13.452 1.00 53.12 N ATOM 806 CA TYR A 54 18.451 -12.582 14.038 1.00 1.30 C ATOM 807 C TYR A 54 19.867 -12.959 13.614 1.00 42.11 C ATOM 808 O TYR A 54 20.844 -12.561 14.247 1.00 0.31 O ATOM 809 CB TYR A 54 18.342 -12.597 15.564 1.00 65.23 C ATOM 810 CG TYR A 54 16.938 -12.362 16.073 1.00 24.12 C ATOM 811 CD1 TYR A 54 16.065 -13.424 16.275 1.00 52.32 C ATOM 812 CD2 TYR A 54 16.485 -11.079 16.352 1.00 0.21 C ATOM 813 CE1 TYR A 54 14.781 -13.214 16.739 1.00 11.15 C ATOM 814 CE2 TYR A 54 15.203 -10.860 16.818 1.00 3.35 C ATOM 815 CZ TYR A 54 14.355 -11.930 17.010 1.00 20.23 C ATOM 816 OH TYR A 54 13.077 -11.716 17.473 1.00 0.04 O ATOM 0 H TYR A 54 17.828 -14.427 13.262 1.00 53.12 H new ATOM 0 HA TYR A 54 18.238 -11.576 13.675 1.00 1.30 H new ATOM 0 HB2 TYR A 54 18.698 -13.558 15.936 1.00 65.23 H new ATOM 0 HB3 TYR A 54 19.001 -11.832 15.974 1.00 65.23 H new ATOM 0 HD1 TYR A 54 16.396 -14.431 16.066 1.00 52.32 H new ATOM 0 HD2 TYR A 54 17.146 -10.238 16.202 1.00 0.21 H new ATOM 0 HE1 TYR A 54 14.114 -14.050 16.889 1.00 11.15 H new ATOM 0 HE2 TYR A 54 14.867 -9.856 17.031 1.00 3.35 H new ATOM 0 HH TYR A 54 12.937 -10.757 17.615 1.00 0.04 H new ATOM 826 N GLY A 55 19.970 -13.730 12.536 1.00 75.42 N ATOM 827 CA GLY A 55 21.269 -14.149 12.044 1.00 40.13 C ATOM 828 C GLY A 55 21.166 -15.198 10.954 1.00 1.13 C ATOM 829 O GLY A 55 20.141 -15.307 10.282 1.00 4.43 O ATOM 0 H GLY A 55 19.176 -14.072 11.994 1.00 75.42 H new ATOM 0 HA2 GLY A 55 21.805 -13.282 11.659 1.00 40.13 H new ATOM 0 HA3 GLY A 55 21.857 -14.546 12.872 1.00 40.13 H new ATOM 833 N GLY A 56 22.233 -15.972 10.778 1.00 74.24 N ATOM 834 CA GLY A 56 22.238 -17.006 9.759 1.00 31.34 C ATOM 835 C GLY A 56 23.112 -16.648 8.574 1.00 24.31 C ATOM 836 O GLY A 56 23.671 -15.553 8.515 1.00 52.34 O ATOM 0 H GLY A 56 23.093 -15.902 11.322 1.00 74.24 H new ATOM 0 HA2 GLY A 56 22.589 -17.941 10.196 1.00 31.34 H new ATOM 0 HA3 GLY A 56 21.218 -17.178 9.415 1.00 31.34 H new ATOM 840 N ARG A 57 23.233 -17.575 7.629 1.00 43.31 N ATOM 841 CA ARG A 57 24.049 -17.352 6.441 1.00 73.11 C ATOM 842 C ARG A 57 23.407 -16.312 5.528 1.00 54.31 C ATOM 843 O ARG A 57 22.437 -16.601 4.826 1.00 44.33 O ATOM 844 CB ARG A 57 24.245 -18.664 5.678 1.00 3.43 C ATOM 845 CG ARG A 57 24.931 -18.489 4.333 1.00 51.10 C ATOM 846 CD ARG A 57 23.993 -18.820 3.183 1.00 51.33 C ATOM 847 NE ARG A 57 24.664 -18.737 1.888 1.00 30.22 N ATOM 848 CZ ARG A 57 24.213 -19.329 0.788 1.00 50.34 C ATOM 849 NH1 ARG A 57 23.096 -20.042 0.824 1.00 13.34 N ATOM 850 NH2 ARG A 57 24.880 -19.207 -0.353 1.00 73.12 N ATOM 0 H ARG A 57 22.777 -18.487 7.663 1.00 43.31 H new ATOM 0 HA ARG A 57 25.021 -16.977 6.763 1.00 73.11 H new ATOM 0 HB2 ARG A 57 24.834 -19.346 6.291 1.00 3.43 H new ATOM 0 HB3 ARG A 57 23.273 -19.133 5.523 1.00 3.43 H new ATOM 0 HG2 ARG A 57 25.283 -17.462 4.233 1.00 51.10 H new ATOM 0 HG3 ARG A 57 25.809 -19.133 4.285 1.00 51.10 H new ATOM 0 HD2 ARG A 57 23.592 -19.824 3.320 1.00 51.33 H new ATOM 0 HD3 ARG A 57 23.146 -18.134 3.197 1.00 51.33 H new ATOM 0 HE ARG A 57 25.526 -18.195 1.825 1.00 30.22 H new ATOM 0 HH11 ARG A 57 22.580 -20.137 1.699 1.00 13.34 H new ATOM 0 HH12 ARG A 57 22.753 -20.495 -0.023 1.00 13.34 H new ATOM 0 HH21 ARG A 57 25.739 -18.658 -0.385 1.00 73.12 H new ATOM 0 HH22 ARG A 57 24.533 -19.662 -1.198 1.00 73.12 H new ATOM 864 N TYR A 58 23.953 -15.101 5.544 1.00 71.04 N ATOM 865 CA TYR A 58 23.432 -14.017 4.720 1.00 50.33 C ATOM 866 C TYR A 58 23.826 -14.205 3.258 1.00 23.30 C ATOM 867 O TYR A 58 24.990 -14.040 2.891 1.00 32.13 O ATOM 868 CB TYR A 58 23.946 -12.669 5.228 1.00 24.05 C ATOM 869 CG TYR A 58 23.793 -11.546 4.228 1.00 12.53 C ATOM 870 CD1 TYR A 58 22.614 -11.384 3.511 1.00 10.51 C ATOM 871 CD2 TYR A 58 24.827 -10.645 4.001 1.00 34.34 C ATOM 872 CE1 TYR A 58 22.470 -10.359 2.596 1.00 52.11 C ATOM 873 CE2 TYR A 58 24.691 -9.617 3.089 1.00 12.31 C ATOM 874 CZ TYR A 58 23.511 -9.478 2.389 1.00 72.15 C ATOM 875 OH TYR A 58 23.371 -8.455 1.479 1.00 75.33 O ATOM 0 H TYR A 58 24.756 -14.846 6.119 1.00 71.04 H new ATOM 0 HA TYR A 58 22.344 -14.034 4.790 1.00 50.33 H new ATOM 0 HB2 TYR A 58 23.411 -12.407 6.141 1.00 24.05 H new ATOM 0 HB3 TYR A 58 24.999 -12.768 5.493 1.00 24.05 H new ATOM 0 HD1 TYR A 58 21.796 -12.071 3.672 1.00 10.51 H new ATOM 0 HD2 TYR A 58 25.753 -10.751 4.547 1.00 34.34 H new ATOM 0 HE1 TYR A 58 21.547 -10.248 2.046 1.00 52.11 H new ATOM 0 HE2 TYR A 58 25.504 -8.926 2.925 1.00 12.31 H new ATOM 0 HH TYR A 58 23.455 -8.812 0.570 1.00 75.33 H new ATOM 885 N TRP A 59 22.849 -14.551 2.429 1.00 73.54 N ATOM 886 CA TRP A 59 23.092 -14.762 1.006 1.00 22.31 C ATOM 887 C TRP A 59 21.975 -14.153 0.166 1.00 32.34 C ATOM 888 O TRP A 59 20.867 -14.688 0.109 1.00 42.21 O ATOM 889 CB TRP A 59 23.217 -16.257 0.705 1.00 53.31 C ATOM 890 CG TRP A 59 22.793 -16.620 -0.686 1.00 51.31 C ATOM 891 CD1 TRP A 59 23.366 -16.201 -1.853 1.00 14.20 C ATOM 892 CD2 TRP A 59 21.705 -17.474 -1.055 1.00 14.20 C ATOM 893 NE1 TRP A 59 22.699 -16.743 -2.925 1.00 71.11 N ATOM 894 CE2 TRP A 59 21.677 -17.528 -2.462 1.00 75.53 C ATOM 895 CE3 TRP A 59 20.753 -18.199 -0.334 1.00 33.42 C ATOM 896 CZ2 TRP A 59 20.733 -18.279 -3.159 1.00 40.31 C ATOM 897 CZ3 TRP A 59 19.817 -18.943 -1.027 1.00 32.22 C ATOM 898 CH2 TRP A 59 19.813 -18.979 -2.428 1.00 32.15 C ATOM 0 H TRP A 59 21.881 -14.692 2.717 1.00 73.54 H new ATOM 0 HA TRP A 59 24.027 -14.267 0.746 1.00 22.31 H new ATOM 0 HB2 TRP A 59 24.252 -16.565 0.854 1.00 53.31 H new ATOM 0 HB3 TRP A 59 22.612 -16.816 1.419 1.00 53.31 H new ATOM 0 HD1 TRP A 59 24.218 -15.541 -1.923 1.00 14.20 H new ATOM 0 HE1 TRP A 59 22.928 -16.586 -3.907 1.00 71.11 H new ATOM 0 HE3 TRP A 59 20.749 -18.178 0.746 1.00 33.42 H new ATOM 0 HZ2 TRP A 59 20.728 -18.307 -4.239 1.00 40.31 H new ATOM 0 HZ3 TRP A 59 19.076 -19.506 -0.480 1.00 32.22 H new ATOM 0 HH2 TRP A 59 19.069 -19.571 -2.940 1.00 32.15 H new ATOM 909 N ASP A 60 22.272 -13.033 -0.483 1.00 60.32 N ATOM 910 CA ASP A 60 21.292 -12.352 -1.321 1.00 71.43 C ATOM 911 C ASP A 60 21.331 -12.890 -2.749 1.00 13.54 C ATOM 912 O ASP A 60 22.404 -13.130 -3.304 1.00 34.32 O ATOM 913 CB ASP A 60 21.550 -10.845 -1.323 1.00 44.13 C ATOM 914 CG ASP A 60 23.018 -10.509 -1.504 1.00 32.43 C ATOM 915 OD1 ASP A 60 23.778 -10.625 -0.520 1.00 32.22 O ATOM 916 OD2 ASP A 60 23.406 -10.130 -2.629 1.00 22.14 O ATOM 0 H ASP A 60 23.184 -12.577 -0.445 1.00 60.32 H new ATOM 0 HA ASP A 60 20.302 -12.542 -0.907 1.00 71.43 H new ATOM 0 HB2 ASP A 60 20.973 -10.382 -2.123 1.00 44.13 H new ATOM 0 HB3 ASP A 60 21.195 -10.417 -0.385 1.00 44.13 H new ATOM 921 N LEU A 61 20.154 -13.076 -3.337 1.00 65.30 N ATOM 922 CA LEU A 61 20.053 -13.586 -4.700 1.00 62.40 C ATOM 923 C LEU A 61 19.828 -12.449 -5.692 1.00 20.44 C ATOM 924 O LEU A 61 19.384 -11.365 -5.318 1.00 2.34 O ATOM 925 CB LEU A 61 18.913 -14.601 -4.803 1.00 1.05 C ATOM 926 CG LEU A 61 17.558 -14.046 -5.243 1.00 1.22 C ATOM 927 CD1 LEU A 61 16.551 -15.172 -5.419 1.00 25.12 C ATOM 928 CD2 LEU A 61 17.048 -13.024 -4.237 1.00 31.42 C ATOM 0 H LEU A 61 19.257 -12.881 -2.892 1.00 65.30 H new ATOM 0 HA LEU A 61 20.993 -14.079 -4.948 1.00 62.40 H new ATOM 0 HB2 LEU A 61 19.209 -15.380 -5.505 1.00 1.05 H new ATOM 0 HB3 LEU A 61 18.789 -15.078 -3.831 1.00 1.05 H new ATOM 0 HG LEU A 61 17.686 -13.548 -6.204 1.00 1.22 H new ATOM 0 HD11 LEU A 61 15.593 -14.758 -5.732 1.00 25.12 H new ATOM 0 HD12 LEU A 61 16.911 -15.867 -6.178 1.00 25.12 H new ATOM 0 HD13 LEU A 61 16.426 -15.700 -4.473 1.00 25.12 H new ATOM 0 HD21 LEU A 61 16.083 -12.640 -4.566 1.00 31.42 H new ATOM 0 HD22 LEU A 61 16.936 -13.498 -3.262 1.00 31.42 H new ATOM 0 HD23 LEU A 61 17.759 -12.202 -4.161 1.00 31.42 H new ATOM 940 N GLY A 62 20.136 -12.707 -6.959 1.00 54.34 N ATOM 941 CA GLY A 62 19.958 -11.696 -7.986 1.00 21.14 C ATOM 942 C GLY A 62 19.172 -12.210 -9.175 1.00 53.13 C ATOM 943 O GLY A 62 18.817 -13.386 -9.251 1.00 32.42 O ATOM 0 H GLY A 62 20.505 -13.597 -7.293 1.00 54.34 H new ATOM 0 HA2 GLY A 62 19.443 -10.835 -7.559 1.00 21.14 H new ATOM 0 HA3 GLY A 62 20.935 -11.349 -8.323 1.00 21.14 H new ATOM 947 N PRO A 63 18.886 -11.314 -10.132 1.00 63.32 N ATOM 948 CA PRO A 63 18.133 -11.661 -11.341 1.00 14.50 C ATOM 949 C PRO A 63 18.570 -12.996 -11.934 1.00 55.30 C ATOM 950 O PRO A 63 19.653 -13.107 -12.507 1.00 14.13 O ATOM 951 CB PRO A 63 18.460 -10.516 -12.303 1.00 15.41 C ATOM 952 CG PRO A 63 18.781 -9.359 -11.420 1.00 65.52 C ATOM 953 CD PRO A 63 19.278 -9.895 -10.108 1.00 72.01 C ATOM 0 HA PRO A 63 17.068 -11.776 -11.139 1.00 14.50 H new ATOM 0 HB2 PRO A 63 19.303 -10.768 -12.947 1.00 15.41 H new ATOM 0 HB3 PRO A 63 17.616 -10.294 -12.955 1.00 15.41 H new ATOM 0 HG2 PRO A 63 19.538 -8.726 -11.883 1.00 65.52 H new ATOM 0 HG3 PRO A 63 17.897 -8.740 -11.268 1.00 65.52 H new ATOM 0 HD2 PRO A 63 20.358 -9.781 -10.013 1.00 72.01 H new ATOM 0 HD3 PRO A 63 18.827 -9.370 -9.266 1.00 72.01 H new ATOM 961 N GLY A 64 17.719 -14.008 -11.793 1.00 55.41 N ATOM 962 CA GLY A 64 18.035 -15.322 -12.321 1.00 1.04 C ATOM 963 C GLY A 64 17.294 -16.430 -11.600 1.00 33.15 C ATOM 964 O GLY A 64 16.831 -16.245 -10.474 1.00 61.44 O ATOM 0 H GLY A 64 16.816 -13.941 -11.322 1.00 55.41 H new ATOM 0 HA2 GLY A 64 17.786 -15.353 -13.382 1.00 1.04 H new ATOM 0 HA3 GLY A 64 19.108 -15.494 -12.240 1.00 1.04 H new ATOM 968 N GLU A 65 17.179 -17.584 -12.250 1.00 22.14 N ATOM 969 CA GLU A 65 16.486 -18.725 -11.663 1.00 10.00 C ATOM 970 C GLU A 65 17.482 -19.755 -11.136 1.00 54.52 C ATOM 971 O GLU A 65 18.547 -19.959 -11.719 1.00 52.30 O ATOM 972 CB GLU A 65 15.562 -19.375 -12.695 1.00 41.54 C ATOM 973 CG GLU A 65 14.592 -20.379 -12.097 1.00 73.11 C ATOM 974 CD GLU A 65 14.643 -21.725 -12.793 1.00 32.30 C ATOM 975 OE1 GLU A 65 15.758 -22.259 -12.969 1.00 70.51 O ATOM 976 OE2 GLU A 65 13.569 -22.244 -13.162 1.00 33.55 O ATOM 0 H GLU A 65 17.556 -17.753 -13.182 1.00 22.14 H new ATOM 0 HA GLU A 65 15.888 -18.363 -10.827 1.00 10.00 H new ATOM 0 HB2 GLU A 65 14.996 -18.596 -13.205 1.00 41.54 H new ATOM 0 HB3 GLU A 65 16.169 -19.874 -13.450 1.00 41.54 H new ATOM 0 HG2 GLU A 65 14.819 -20.512 -11.039 1.00 73.11 H new ATOM 0 HG3 GLU A 65 13.579 -19.981 -12.158 1.00 73.11 H new ATOM 983 N TYR A 66 17.127 -20.399 -10.030 1.00 62.44 N ATOM 984 CA TYR A 66 17.990 -21.405 -9.423 1.00 32.55 C ATOM 985 C TYR A 66 17.181 -22.620 -8.978 1.00 72.20 C ATOM 986 O TYR A 66 16.037 -22.492 -8.541 1.00 61.33 O ATOM 987 CB TYR A 66 18.738 -20.812 -8.228 1.00 14.34 C ATOM 988 CG TYR A 66 19.205 -19.391 -8.451 1.00 65.40 C ATOM 989 CD1 TYR A 66 20.116 -19.089 -9.457 1.00 33.25 C ATOM 990 CD2 TYR A 66 18.738 -18.352 -7.656 1.00 44.14 C ATOM 991 CE1 TYR A 66 20.547 -17.793 -9.664 1.00 73.21 C ATOM 992 CE2 TYR A 66 19.163 -17.053 -7.858 1.00 13.34 C ATOM 993 CZ TYR A 66 20.067 -16.778 -8.862 1.00 71.54 C ATOM 994 OH TYR A 66 20.493 -15.486 -9.065 1.00 41.22 O ATOM 0 H TYR A 66 16.248 -20.243 -9.536 1.00 62.44 H new ATOM 0 HA TYR A 66 18.713 -21.727 -10.173 1.00 32.55 H new ATOM 0 HB2 TYR A 66 18.088 -20.839 -7.353 1.00 14.34 H new ATOM 0 HB3 TYR A 66 19.601 -21.438 -8.003 1.00 14.34 H new ATOM 0 HD1 TYR A 66 20.493 -19.881 -10.087 1.00 33.25 H new ATOM 0 HD2 TYR A 66 18.031 -18.563 -6.867 1.00 44.14 H new ATOM 0 HE1 TYR A 66 21.256 -17.575 -10.449 1.00 73.21 H new ATOM 0 HE2 TYR A 66 18.789 -16.256 -7.232 1.00 13.34 H new ATOM 0 HH TYR A 66 19.718 -14.905 -9.212 1.00 41.22 H new ATOM 1004 N SER A 67 17.784 -23.799 -9.092 1.00 43.03 N ATOM 1005 CA SER A 67 17.120 -25.038 -8.706 1.00 23.33 C ATOM 1006 C SER A 67 18.048 -25.913 -7.868 1.00 12.04 C ATOM 1007 O SER A 67 18.470 -26.984 -8.303 1.00 21.11 O ATOM 1008 CB SER A 67 16.662 -25.805 -9.948 1.00 31.13 C ATOM 1009 OG SER A 67 15.383 -25.369 -10.373 1.00 54.31 O ATOM 0 H SER A 67 18.732 -23.922 -9.449 1.00 43.03 H new ATOM 0 HA SER A 67 16.248 -24.782 -8.104 1.00 23.33 H new ATOM 0 HB2 SER A 67 17.384 -25.665 -10.753 1.00 31.13 H new ATOM 0 HB3 SER A 67 16.632 -26.872 -9.730 1.00 31.13 H new ATOM 0 HG SER A 67 15.113 -25.873 -11.169 1.00 54.31 H new ATOM 1015 N SER A 68 18.361 -25.448 -6.662 1.00 53.35 N ATOM 1016 CA SER A 68 19.241 -26.185 -5.764 1.00 2.54 C ATOM 1017 C SER A 68 18.457 -27.221 -4.964 1.00 4.20 C ATOM 1018 O SER A 68 17.304 -26.996 -4.597 1.00 72.53 O ATOM 1019 CB SER A 68 19.954 -25.222 -4.812 1.00 24.12 C ATOM 1020 OG SER A 68 21.033 -24.570 -5.460 1.00 20.14 O ATOM 0 H SER A 68 18.018 -24.564 -6.285 1.00 53.35 H new ATOM 0 HA SER A 68 19.984 -26.705 -6.369 1.00 2.54 H new ATOM 0 HB2 SER A 68 19.246 -24.480 -4.442 1.00 24.12 H new ATOM 0 HB3 SER A 68 20.324 -25.770 -3.945 1.00 24.12 H new ATOM 0 HG SER A 68 21.471 -23.959 -4.831 1.00 20.14 H new ATOM 1026 N VAL A 69 19.093 -28.357 -4.697 1.00 31.51 N ATOM 1027 CA VAL A 69 18.457 -29.429 -3.940 1.00 61.21 C ATOM 1028 C VAL A 69 19.487 -30.231 -3.152 1.00 73.21 C ATOM 1029 O VAL A 69 19.228 -31.365 -2.749 1.00 43.32 O ATOM 1030 CB VAL A 69 17.678 -30.383 -4.865 1.00 34.25 C ATOM 1031 CG1 VAL A 69 16.646 -29.615 -5.677 1.00 20.40 C ATOM 1032 CG2 VAL A 69 18.632 -31.139 -5.777 1.00 1.41 C ATOM 0 H VAL A 69 20.048 -28.559 -4.993 1.00 31.51 H new ATOM 0 HA VAL A 69 17.760 -28.957 -3.247 1.00 61.21 H new ATOM 0 HB VAL A 69 17.151 -31.110 -4.247 1.00 34.25 H new ATOM 0 HG11 VAL A 69 16.105 -30.305 -6.325 1.00 20.40 H new ATOM 0 HG12 VAL A 69 15.944 -29.125 -5.003 1.00 20.40 H new ATOM 0 HG13 VAL A 69 17.148 -28.864 -6.286 1.00 20.40 H new ATOM 0 HG21 VAL A 69 18.064 -31.808 -6.423 1.00 1.41 H new ATOM 0 HG22 VAL A 69 19.189 -30.430 -6.389 1.00 1.41 H new ATOM 0 HG23 VAL A 69 19.328 -31.722 -5.173 1.00 1.41 H new ATOM 1042 N GLU A 70 20.655 -29.634 -2.936 1.00 34.11 N ATOM 1043 CA GLU A 70 21.724 -30.294 -2.196 1.00 12.01 C ATOM 1044 C GLU A 70 22.946 -29.388 -2.082 1.00 3.21 C ATOM 1045 O GLU A 70 24.084 -29.849 -2.165 1.00 23.40 O ATOM 1046 CB GLU A 70 22.111 -31.608 -2.878 1.00 50.32 C ATOM 1047 CG GLU A 70 22.273 -31.487 -4.384 1.00 40.31 C ATOM 1048 CD GLU A 70 22.830 -32.748 -5.014 1.00 62.41 C ATOM 1049 OE1 GLU A 70 22.256 -33.832 -4.778 1.00 22.23 O ATOM 1050 OE2 GLU A 70 23.840 -32.653 -5.743 1.00 14.52 O ATOM 0 H GLU A 70 20.885 -28.695 -3.263 1.00 34.11 H new ATOM 0 HA GLU A 70 21.357 -30.509 -1.192 1.00 12.01 H new ATOM 0 HB2 GLU A 70 23.045 -31.969 -2.448 1.00 50.32 H new ATOM 0 HB3 GLU A 70 21.350 -32.358 -2.662 1.00 50.32 H new ATOM 0 HG2 GLU A 70 21.306 -31.258 -4.832 1.00 40.31 H new ATOM 0 HG3 GLU A 70 22.935 -30.650 -4.608 1.00 40.31 H new ATOM 1057 N SER A 71 22.702 -28.095 -1.892 1.00 33.24 N ATOM 1058 CA SER A 71 23.781 -27.123 -1.771 1.00 5.34 C ATOM 1059 C SER A 71 23.259 -25.795 -1.231 1.00 54.21 C ATOM 1060 O SER A 71 23.912 -25.142 -0.418 1.00 65.02 O ATOM 1061 CB SER A 71 24.455 -26.905 -3.127 1.00 71.30 C ATOM 1062 OG SER A 71 25.862 -27.040 -3.025 1.00 50.51 O ATOM 0 H SER A 71 21.766 -27.697 -1.819 1.00 33.24 H new ATOM 0 HA SER A 71 24.514 -27.518 -1.068 1.00 5.34 H new ATOM 0 HB2 SER A 71 24.069 -27.625 -3.848 1.00 71.30 H new ATOM 0 HB3 SER A 71 24.208 -25.912 -3.504 1.00 71.30 H new ATOM 0 HG SER A 71 26.269 -26.898 -3.905 1.00 50.51 H new ATOM 1068 N ALA A 72 22.075 -25.402 -1.690 1.00 50.21 N ATOM 1069 CA ALA A 72 21.462 -24.153 -1.253 1.00 23.50 C ATOM 1070 C ALA A 72 21.389 -24.081 0.268 1.00 32.24 C ATOM 1071 O ALA A 72 21.698 -23.051 0.866 1.00 30.54 O ATOM 1072 CB ALA A 72 20.074 -24.007 -1.858 1.00 10.20 C ATOM 0 H ALA A 72 21.521 -25.930 -2.364 1.00 50.21 H new ATOM 0 HA ALA A 72 22.086 -23.329 -1.600 1.00 23.50 H new ATOM 0 HB1 ALA A 72 19.628 -23.070 -1.523 1.00 10.20 H new ATOM 0 HB2 ALA A 72 20.149 -24.005 -2.945 1.00 10.20 H new ATOM 0 HB3 ALA A 72 19.449 -24.841 -1.539 1.00 10.20 H new ATOM 1078 N GLY A 73 20.976 -25.182 0.890 1.00 63.25 N ATOM 1079 CA GLY A 73 20.869 -25.222 2.336 1.00 12.42 C ATOM 1080 C GLY A 73 20.104 -26.434 2.828 1.00 75.21 C ATOM 1081 O GLY A 73 18.875 -26.409 2.912 1.00 63.03 O ATOM 0 H GLY A 73 20.714 -26.047 0.417 1.00 63.25 H new ATOM 0 HA2 GLY A 73 21.868 -25.226 2.771 1.00 12.42 H new ATOM 0 HA3 GLY A 73 20.373 -24.317 2.686 1.00 12.42 H new ATOM 1085 N ILE A 74 20.830 -27.499 3.152 1.00 13.31 N ATOM 1086 CA ILE A 74 20.211 -28.726 3.637 1.00 31.01 C ATOM 1087 C ILE A 74 20.780 -29.130 4.993 1.00 62.12 C ATOM 1088 O ILE A 74 21.462 -30.146 5.130 1.00 72.22 O ATOM 1089 CB ILE A 74 20.408 -29.886 2.644 1.00 73.43 C ATOM 1090 CG1 ILE A 74 20.314 -29.376 1.204 1.00 3.24 C ATOM 1091 CG2 ILE A 74 19.377 -30.977 2.893 1.00 73.25 C ATOM 1092 CD1 ILE A 74 19.008 -28.679 0.894 1.00 2.42 C ATOM 0 H ILE A 74 21.847 -27.537 3.087 1.00 13.31 H new ATOM 0 HA ILE A 74 19.145 -28.523 3.739 1.00 31.01 H new ATOM 0 HB ILE A 74 21.401 -30.309 2.795 1.00 73.43 H new ATOM 0 HG12 ILE A 74 21.138 -28.687 1.017 1.00 3.24 H new ATOM 0 HG13 ILE A 74 20.439 -30.216 0.521 1.00 3.24 H new ATOM 0 HG21 ILE A 74 19.529 -31.790 2.183 1.00 73.25 H new ATOM 0 HG22 ILE A 74 19.487 -31.357 3.909 1.00 73.25 H new ATOM 0 HG23 ILE A 74 18.375 -30.567 2.766 1.00 73.25 H new ATOM 0 HD11 ILE A 74 19.012 -28.344 -0.143 1.00 2.42 H new ATOM 0 HD12 ILE A 74 18.180 -29.371 1.049 1.00 2.42 H new ATOM 0 HD13 ILE A 74 18.890 -27.819 1.553 1.00 2.42 H new ATOM 1104 N PRO A 75 20.494 -28.318 6.021 1.00 54.32 N ATOM 1105 CA PRO A 75 20.965 -28.571 7.385 1.00 23.25 C ATOM 1106 C PRO A 75 20.114 -29.608 8.110 1.00 72.11 C ATOM 1107 O PRO A 75 19.317 -30.313 7.491 1.00 54.15 O ATOM 1108 CB PRO A 75 20.837 -27.205 8.064 1.00 22.35 C ATOM 1109 CG PRO A 75 19.729 -26.524 7.339 1.00 52.13 C ATOM 1110 CD PRO A 75 19.687 -27.089 5.930 1.00 34.33 C ATOM 0 HA PRO A 75 21.977 -28.976 7.398 1.00 23.25 H new ATOM 0 HB2 PRO A 75 20.610 -27.310 9.125 1.00 22.35 H new ATOM 0 HB3 PRO A 75 21.765 -26.638 7.991 1.00 22.35 H new ATOM 0 HG2 PRO A 75 18.779 -26.691 7.847 1.00 52.13 H new ATOM 0 HG3 PRO A 75 19.892 -25.447 7.315 1.00 52.13 H new ATOM 0 HD2 PRO A 75 18.666 -27.303 5.615 1.00 34.33 H new ATOM 0 HD3 PRO A 75 20.104 -26.389 5.206 1.00 34.33 H new ATOM 1118 N ASP A 76 20.287 -29.696 9.424 1.00 44.30 N ATOM 1119 CA ASP A 76 19.533 -30.646 10.233 1.00 23.12 C ATOM 1120 C ASP A 76 18.032 -30.421 10.078 1.00 5.35 C ATOM 1121 O ASP A 76 17.331 -31.235 9.480 1.00 63.13 O ATOM 1122 CB ASP A 76 19.931 -30.524 11.705 1.00 51.50 C ATOM 1123 CG ASP A 76 19.028 -31.330 12.618 1.00 64.34 C ATOM 1124 OD1 ASP A 76 18.686 -32.475 12.253 1.00 10.04 O ATOM 1125 OD2 ASP A 76 18.665 -30.817 13.696 1.00 20.45 O ATOM 0 H ASP A 76 20.943 -29.121 9.952 1.00 44.30 H new ATOM 0 HA ASP A 76 19.769 -31.651 9.883 1.00 23.12 H new ATOM 0 HB2 ASP A 76 20.961 -30.859 11.829 1.00 51.50 H new ATOM 0 HB3 ASP A 76 19.900 -29.475 12.001 1.00 51.50 H new ATOM 1130 N ASN A 77 17.547 -29.310 10.624 1.00 74.24 N ATOM 1131 CA ASN A 77 16.128 -28.979 10.548 1.00 45.45 C ATOM 1132 C ASN A 77 15.855 -28.021 9.392 1.00 1.51 C ATOM 1133 O ASN A 77 15.685 -28.443 8.249 1.00 60.44 O ATOM 1134 CB ASN A 77 15.658 -28.356 11.863 1.00 13.24 C ATOM 1135 CG ASN A 77 15.554 -29.375 12.981 1.00 32.51 C ATOM 1136 OD1 ASN A 77 15.592 -30.582 12.741 1.00 62.31 O ATOM 1137 ND2 ASN A 77 15.421 -28.893 14.211 1.00 22.22 N ATOM 0 H ASN A 77 18.114 -28.625 11.123 1.00 74.24 H new ATOM 0 HA ASN A 77 15.574 -29.901 10.372 1.00 45.45 H new ATOM 0 HB2 ASN A 77 16.351 -27.568 12.157 1.00 13.24 H new ATOM 0 HB3 ASN A 77 14.686 -27.886 11.712 1.00 13.24 H new ATOM 0 HD21 ASN A 77 15.346 -29.531 15.003 1.00 22.22 H new ATOM 0 HD22 ASN A 77 15.394 -27.885 14.364 1.00 22.22 H new ATOM 1144 N SER A 78 15.815 -26.728 9.699 1.00 10.11 N ATOM 1145 CA SER A 78 15.559 -25.709 8.687 1.00 23.53 C ATOM 1146 C SER A 78 15.612 -24.312 9.298 1.00 73.24 C ATOM 1147 O SER A 78 16.684 -23.724 9.437 1.00 44.25 O ATOM 1148 CB SER A 78 14.196 -25.942 8.033 1.00 41.42 C ATOM 1149 OG SER A 78 13.188 -26.137 9.009 1.00 21.25 O ATOM 0 H SER A 78 15.957 -26.361 10.640 1.00 10.11 H new ATOM 0 HA SER A 78 16.336 -25.783 7.926 1.00 23.53 H new ATOM 0 HB2 SER A 78 13.939 -25.088 7.406 1.00 41.42 H new ATOM 0 HB3 SER A 78 14.247 -26.813 7.380 1.00 41.42 H new ATOM 0 HG SER A 78 12.559 -26.821 8.697 1.00 21.25 H new ATOM 1155 N ILE A 79 14.446 -23.788 9.660 1.00 51.43 N ATOM 1156 CA ILE A 79 14.358 -22.460 10.256 1.00 63.40 C ATOM 1157 C ILE A 79 14.989 -21.408 9.351 1.00 65.25 C ATOM 1158 O ILE A 79 15.876 -20.665 9.770 1.00 2.41 O ATOM 1159 CB ILE A 79 15.046 -22.415 11.633 1.00 20.53 C ATOM 1160 CG1 ILE A 79 14.646 -23.634 12.468 1.00 74.05 C ATOM 1161 CG2 ILE A 79 14.690 -21.128 12.361 1.00 32.04 C ATOM 1162 CD1 ILE A 79 13.158 -23.727 12.727 1.00 42.43 C ATOM 0 H ILE A 79 13.549 -24.262 9.551 1.00 51.43 H new ATOM 0 HA ILE A 79 13.298 -22.240 10.381 1.00 63.40 H new ATOM 0 HB ILE A 79 16.126 -22.439 11.484 1.00 20.53 H new ATOM 0 HG12 ILE A 79 14.975 -24.539 11.956 1.00 74.05 H new ATOM 0 HG13 ILE A 79 15.171 -23.599 13.422 1.00 74.05 H new ATOM 0 HG21 ILE A 79 15.184 -21.111 13.333 1.00 32.04 H new ATOM 0 HG22 ILE A 79 15.020 -20.273 11.771 1.00 32.04 H new ATOM 0 HG23 ILE A 79 13.610 -21.076 12.502 1.00 32.04 H new ATOM 0 HD11 ILE A 79 12.947 -24.614 13.324 1.00 42.43 H new ATOM 0 HD12 ILE A 79 12.826 -22.840 13.266 1.00 42.43 H new ATOM 0 HD13 ILE A 79 12.627 -23.794 11.778 1.00 42.43 H new ATOM 1174 N SER A 80 14.525 -21.350 8.107 1.00 70.35 N ATOM 1175 CA SER A 80 15.045 -20.390 7.140 1.00 22.22 C ATOM 1176 C SER A 80 14.025 -19.289 6.865 1.00 24.24 C ATOM 1177 O SER A 80 12.846 -19.426 7.189 1.00 54.21 O ATOM 1178 CB SER A 80 15.414 -21.097 5.834 1.00 35.35 C ATOM 1179 OG SER A 80 16.002 -22.361 6.087 1.00 31.45 O ATOM 0 H SER A 80 13.790 -21.957 7.745 1.00 70.35 H new ATOM 0 HA SER A 80 15.940 -19.935 7.563 1.00 22.22 H new ATOM 0 HB2 SER A 80 14.522 -21.224 5.221 1.00 35.35 H new ATOM 0 HB3 SER A 80 16.107 -20.477 5.265 1.00 35.35 H new ATOM 0 HG SER A 80 16.227 -22.793 5.237 1.00 31.45 H new ATOM 1185 N SER A 81 14.490 -18.197 6.266 1.00 33.41 N ATOM 1186 CA SER A 81 13.620 -17.070 5.951 1.00 61.25 C ATOM 1187 C SER A 81 14.298 -16.119 4.969 1.00 60.44 C ATOM 1188 O SER A 81 15.525 -16.044 4.907 1.00 43.43 O ATOM 1189 CB SER A 81 13.241 -16.318 7.228 1.00 45.34 C ATOM 1190 OG SER A 81 14.358 -16.180 8.089 1.00 65.32 O ATOM 0 H SER A 81 15.463 -18.069 5.989 1.00 33.41 H new ATOM 0 HA SER A 81 12.715 -17.460 5.486 1.00 61.25 H new ATOM 0 HB2 SER A 81 12.852 -15.333 6.972 1.00 45.34 H new ATOM 0 HB3 SER A 81 12.443 -16.851 7.745 1.00 45.34 H new ATOM 0 HG SER A 81 14.996 -15.548 7.698 1.00 65.32 H new ATOM 1196 N PHE A 82 13.489 -15.395 4.202 1.00 23.21 N ATOM 1197 CA PHE A 82 14.009 -14.449 3.222 1.00 64.35 C ATOM 1198 C PHE A 82 13.029 -13.301 3.001 1.00 43.05 C ATOM 1199 O PHE A 82 11.825 -13.516 2.866 1.00 34.22 O ATOM 1200 CB PHE A 82 14.288 -15.159 1.895 1.00 25.00 C ATOM 1201 CG PHE A 82 13.047 -15.472 1.110 1.00 51.12 C ATOM 1202 CD1 PHE A 82 12.050 -16.266 1.653 1.00 71.45 C ATOM 1203 CD2 PHE A 82 12.877 -14.971 -0.171 1.00 35.02 C ATOM 1204 CE1 PHE A 82 10.907 -16.556 0.932 1.00 71.43 C ATOM 1205 CE2 PHE A 82 11.735 -15.257 -0.896 1.00 64.33 C ATOM 1206 CZ PHE A 82 10.749 -16.050 -0.344 1.00 31.23 C ATOM 0 H PHE A 82 12.471 -15.446 4.240 1.00 23.21 H new ATOM 0 HA PHE A 82 14.941 -14.038 3.610 1.00 64.35 H new ATOM 0 HB2 PHE A 82 14.944 -14.534 1.289 1.00 25.00 H new ATOM 0 HB3 PHE A 82 14.826 -16.086 2.094 1.00 25.00 H new ATOM 0 HD1 PHE A 82 12.167 -16.663 2.651 1.00 71.45 H new ATOM 0 HD2 PHE A 82 13.645 -14.350 -0.608 1.00 35.02 H new ATOM 0 HE1 PHE A 82 10.138 -17.178 1.366 1.00 71.43 H new ATOM 0 HE2 PHE A 82 11.614 -14.860 -1.893 1.00 64.33 H new ATOM 0 HZ PHE A 82 9.856 -16.274 -0.908 1.00 31.23 H new ATOM 1216 N ARG A 83 13.555 -12.081 2.965 1.00 50.13 N ATOM 1217 CA ARG A 83 12.727 -10.898 2.762 1.00 3.00 C ATOM 1218 C ARG A 83 12.645 -10.539 1.281 1.00 33.42 C ATOM 1219 O ARG A 83 13.660 -10.265 0.642 1.00 21.23 O ATOM 1220 CB ARG A 83 13.288 -9.715 3.554 1.00 61.24 C ATOM 1221 CG ARG A 83 13.058 -9.821 5.052 1.00 35.02 C ATOM 1222 CD ARG A 83 12.106 -8.743 5.547 1.00 51.00 C ATOM 1223 NE ARG A 83 11.449 -9.124 6.794 1.00 15.43 N ATOM 1224 CZ ARG A 83 10.459 -10.007 6.864 1.00 61.24 C ATOM 1225 NH1 ARG A 83 10.015 -10.598 5.763 1.00 65.41 N ATOM 1226 NH2 ARG A 83 9.912 -10.301 8.036 1.00 75.30 N ATOM 0 H ARG A 83 14.550 -11.886 3.074 1.00 50.13 H new ATOM 0 HA ARG A 83 11.722 -11.123 3.120 1.00 3.00 H new ATOM 0 HB2 ARG A 83 14.358 -9.637 3.364 1.00 61.24 H new ATOM 0 HB3 ARG A 83 12.831 -8.795 3.189 1.00 61.24 H new ATOM 0 HG2 ARG A 83 12.652 -10.804 5.290 1.00 35.02 H new ATOM 0 HG3 ARG A 83 14.011 -9.735 5.575 1.00 35.02 H new ATOM 0 HD2 ARG A 83 12.656 -7.814 5.696 1.00 51.00 H new ATOM 0 HD3 ARG A 83 11.352 -8.548 4.785 1.00 51.00 H new ATOM 0 HE ARG A 83 11.768 -8.688 7.659 1.00 15.43 H new ATOM 0 HH11 ARG A 83 10.434 -10.375 4.860 1.00 65.41 H new ATOM 0 HH12 ARG A 83 9.255 -11.276 5.819 1.00 65.41 H new ATOM 0 HH21 ARG A 83 10.251 -9.849 8.885 1.00 75.30 H new ATOM 0 HH22 ARG A 83 9.152 -10.979 8.088 1.00 75.30 H new ATOM 1240 N GLN A 84 11.429 -10.544 0.743 1.00 24.42 N ATOM 1241 CA GLN A 84 11.215 -10.221 -0.662 1.00 43.03 C ATOM 1242 C GLN A 84 11.232 -8.712 -0.882 1.00 44.13 C ATOM 1243 O GLN A 84 10.202 -8.047 -0.769 1.00 42.13 O ATOM 1244 CB GLN A 84 9.886 -10.804 -1.145 1.00 12.42 C ATOM 1245 CG GLN A 84 9.813 -12.319 -1.043 1.00 52.41 C ATOM 1246 CD GLN A 84 8.414 -12.816 -0.736 1.00 61.23 C ATOM 1247 OE1 GLN A 84 7.460 -12.497 -1.446 1.00 34.11 O ATOM 1248 NE2 GLN A 84 8.285 -13.603 0.325 1.00 20.15 N ATOM 0 H GLN A 84 10.578 -10.768 1.259 1.00 24.42 H new ATOM 0 HA GLN A 84 12.028 -10.663 -1.238 1.00 43.03 H new ATOM 0 HB2 GLN A 84 9.075 -10.369 -0.561 1.00 12.42 H new ATOM 0 HB3 GLN A 84 9.725 -10.510 -2.182 1.00 12.42 H new ATOM 0 HG2 GLN A 84 10.153 -12.759 -1.980 1.00 52.41 H new ATOM 0 HG3 GLN A 84 10.495 -12.660 -0.264 1.00 52.41 H new ATOM 0 HE21 GLN A 84 9.103 -13.842 0.885 1.00 20.15 H new ATOM 0 HE22 GLN A 84 7.368 -13.969 0.580 1.00 20.15 H new ATOM 1257 N ILE A 85 12.408 -8.178 -1.196 1.00 71.14 N ATOM 1258 CA ILE A 85 12.558 -6.748 -1.433 1.00 1.32 C ATOM 1259 C ILE A 85 12.997 -6.470 -2.867 1.00 35.52 C ATOM 1260 O ILE A 85 14.143 -6.097 -3.116 1.00 11.03 O ATOM 1261 CB ILE A 85 13.580 -6.121 -0.465 1.00 71.44 C ATOM 1262 CG1 ILE A 85 14.792 -7.041 -0.304 1.00 43.22 C ATOM 1263 CG2 ILE A 85 12.933 -5.848 0.884 1.00 12.31 C ATOM 1264 CD1 ILE A 85 16.111 -6.301 -0.264 1.00 52.52 C ATOM 0 H ILE A 85 13.270 -8.714 -1.292 1.00 71.14 H new ATOM 0 HA ILE A 85 11.581 -6.296 -1.261 1.00 1.32 H new ATOM 0 HB ILE A 85 13.919 -5.173 -0.882 1.00 71.44 H new ATOM 0 HG12 ILE A 85 14.680 -7.618 0.614 1.00 43.22 H new ATOM 0 HG13 ILE A 85 14.809 -7.754 -1.129 1.00 43.22 H new ATOM 0 HG21 ILE A 85 13.667 -5.405 1.557 1.00 12.31 H new ATOM 0 HG22 ILE A 85 12.098 -5.159 0.754 1.00 12.31 H new ATOM 0 HG23 ILE A 85 12.569 -6.783 1.309 1.00 12.31 H new ATOM 0 HD11 ILE A 85 16.926 -7.016 -0.148 1.00 52.52 H new ATOM 0 HD12 ILE A 85 16.245 -5.745 -1.192 1.00 52.52 H new ATOM 0 HD13 ILE A 85 16.114 -5.608 0.577 1.00 52.52 H new TER 1276 ILE A 85