USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=24 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 31 ASN :FLIP amide:sc= -2.15 F(o=-4.6!,f=-3.2) USER MOD Set 1.2: A 80 SER OG : rot 165:sc= -1.01 USER MOD Single : A 1 MET CE :methyl 163:sc=-0.00859 (180deg=-0.151) USER MOD Single : A 1 MET N :NH3+ 148:sc= 0.0104 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.328 X(o=-0.33,f=-0.15) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.0148 X(o=-0.015,f=-0.11) USER MOD Single : A 13 ASN : amide:sc= -0.382 X(o=-0.38,f=-0.37) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -56:sc= 0.84 USER MOD Single : A 23 SER OG : rot -37:sc= 0.121 USER MOD Single : A 25 GLN : amide:sc= -0.0495 K(o=-0.05,f=-2.1) USER MOD Single : A 33 ASN : amide:sc= -4.19 K(o=-4.2,f=-12!) USER MOD Single : A 35 LYS NZ :NH3+ -163:sc= -0.197 (180deg=-0.451) USER MOD Single : A 37 SER OG : rot 137:sc= 0.0519 USER MOD Single : A 38 SER OG : rot 120:sc=-0.00523 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= -1 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -88:sc= 0.251 USER MOD Single : A 66 TYR OH : rot 30:sc= -0.0987 USER MOD Single : A 67 SER OG : rot 44:sc= 1.04 USER MOD Single : A 68 SER OG : rot 102:sc= 1.82 USER MOD Single : A 71 SER OG : rot 44:sc= 0.0193 USER MOD Single : A 77 ASN :FLIP amide:sc= 0.572 F(o=-0.4,f=0.57) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 58:sc= 0.0113 USER MOD Single : A 84 GLN : amide:sc= -3.52 K(o=-3.5,f=-5.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 2.093 -0.001 -1.242 1.00 52.33 C ATOM 3 C MET A 1 2.497 -1.419 -1.631 1.00 72.23 C ATOM 4 O MET A 1 2.880 -2.221 -0.780 1.00 42.53 O ATOM 5 CB MET A 1 3.338 0.876 -1.101 1.00 5.14 C ATOM 6 CG MET A 1 3.178 2.262 -1.703 1.00 54.33 C ATOM 7 SD MET A 1 3.232 3.570 -0.463 1.00 34.43 S ATOM 8 CE MET A 1 4.938 3.459 0.071 1.00 13.44 C ATOM 0 H1 MET A 1 1.518 0.879 0.523 1.00 0.00 H new ATOM 0 H2 MET A 1 0.314 -0.062 -0.217 1.00 0.00 H new ATOM 0 H3 MET A 1 1.610 -0.816 0.581 1.00 0.00 H new ATOM 0 HA MET A 1 1.458 0.406 -2.029 1.00 52.33 H new ATOM 0 HB2 MET A 1 3.585 0.975 -0.044 1.00 5.14 H new ATOM 0 HB3 MET A 1 4.180 0.376 -1.580 1.00 5.14 H new ATOM 0 HG2 MET A 1 3.968 2.429 -2.436 1.00 54.33 H new ATOM 0 HG3 MET A 1 2.230 2.314 -2.239 1.00 54.33 H new ATOM 0 HE1 MET A 1 5.214 4.372 0.599 1.00 13.44 H new ATOM 0 HE2 MET A 1 5.056 2.604 0.737 1.00 13.44 H new ATOM 0 HE3 MET A 1 5.584 3.334 -0.798 1.00 13.44 H new ATOM 18 N ASN A 2 2.408 -1.722 -2.922 1.00 74.23 N ATOM 19 CA ASN A 2 2.763 -3.045 -3.423 1.00 42.13 C ATOM 20 C ASN A 2 3.329 -2.957 -4.838 1.00 12.05 C ATOM 21 O ASN A 2 2.628 -2.575 -5.774 1.00 63.25 O ATOM 22 CB ASN A 2 1.541 -3.965 -3.407 1.00 53.12 C ATOM 23 CG ASN A 2 0.318 -3.313 -4.023 1.00 41.51 C ATOM 24 OD1 ASN A 2 -0.402 -2.567 -3.359 1.00 40.42 O ATOM 25 ND2 ASN A 2 0.078 -3.592 -5.299 1.00 1.20 N ATOM 0 H ASN A 2 2.093 -1.070 -3.640 1.00 74.23 H new ATOM 0 HA ASN A 2 3.530 -3.460 -2.769 1.00 42.13 H new ATOM 0 HB2 ASN A 2 1.773 -4.882 -3.949 1.00 53.12 H new ATOM 0 HB3 ASN A 2 1.318 -4.251 -2.379 1.00 53.12 H new ATOM 0 HD21 ASN A 2 -0.730 -3.182 -5.767 1.00 1.20 H new ATOM 0 HD22 ASN A 2 0.702 -4.216 -5.811 1.00 1.20 H new ATOM 32 N ALA A 3 4.601 -3.314 -4.983 1.00 53.34 N ATOM 33 CA ALA A 3 5.260 -3.278 -6.283 1.00 11.20 C ATOM 34 C ALA A 3 6.437 -4.246 -6.328 1.00 44.32 C ATOM 35 O ALA A 3 7.591 -3.830 -6.428 1.00 3.15 O ATOM 36 CB ALA A 3 5.724 -1.864 -6.601 1.00 11.15 C ATOM 0 H ALA A 3 5.195 -3.631 -4.217 1.00 53.34 H new ATOM 0 HA ALA A 3 4.538 -3.589 -7.038 1.00 11.20 H new ATOM 0 HB1 ALA A 3 6.214 -1.852 -7.574 1.00 11.15 H new ATOM 0 HB2 ALA A 3 4.864 -1.194 -6.620 1.00 11.15 H new ATOM 0 HB3 ALA A 3 6.427 -1.531 -5.837 1.00 11.15 H new ATOM 42 N ALA A 4 6.138 -5.538 -6.254 1.00 71.40 N ATOM 43 CA ALA A 4 7.172 -6.565 -6.288 1.00 32.21 C ATOM 44 C ALA A 4 6.559 -7.958 -6.387 1.00 62.10 C ATOM 45 O ALA A 4 6.050 -8.493 -5.403 1.00 21.12 O ATOM 46 CB ALA A 4 8.058 -6.463 -5.055 1.00 51.23 C ATOM 0 H ALA A 4 5.188 -5.899 -6.170 1.00 71.40 H new ATOM 0 HA ALA A 4 7.783 -6.401 -7.176 1.00 32.21 H new ATOM 0 HB1 ALA A 4 8.826 -7.236 -5.094 1.00 51.23 H new ATOM 0 HB2 ALA A 4 8.532 -5.482 -5.028 1.00 51.23 H new ATOM 0 HB3 ALA A 4 7.452 -6.598 -4.159 1.00 51.23 H new ATOM 52 N GLU A 5 6.612 -8.539 -7.582 1.00 33.14 N ATOM 53 CA GLU A 5 6.060 -9.870 -7.808 1.00 52.31 C ATOM 54 C GLU A 5 7.112 -10.945 -7.555 1.00 61.50 C ATOM 55 O GLU A 5 8.146 -10.988 -8.222 1.00 51.32 O ATOM 56 CB GLU A 5 5.527 -9.988 -9.237 1.00 73.54 C ATOM 57 CG GLU A 5 4.221 -9.245 -9.464 1.00 31.13 C ATOM 58 CD GLU A 5 3.973 -8.933 -10.927 1.00 5.22 C ATOM 59 OE1 GLU A 5 4.487 -7.901 -11.408 1.00 3.15 O ATOM 60 OE2 GLU A 5 3.266 -9.719 -11.591 1.00 24.24 O ATOM 0 H GLU A 5 7.031 -8.110 -8.407 1.00 33.14 H new ATOM 0 HA GLU A 5 5.238 -10.019 -7.108 1.00 52.31 H new ATOM 0 HB2 GLU A 5 6.278 -9.605 -9.928 1.00 73.54 H new ATOM 0 HB3 GLU A 5 5.382 -11.042 -9.476 1.00 73.54 H new ATOM 0 HG2 GLU A 5 3.395 -9.844 -9.079 1.00 31.13 H new ATOM 0 HG3 GLU A 5 4.233 -8.315 -8.895 1.00 31.13 H new ATOM 67 N VAL A 6 6.841 -11.814 -6.586 1.00 1.34 N ATOM 68 CA VAL A 6 7.763 -12.890 -6.244 1.00 21.23 C ATOM 69 C VAL A 6 7.194 -14.248 -6.641 1.00 5.30 C ATOM 70 O VAL A 6 6.221 -14.720 -6.054 1.00 14.14 O ATOM 71 CB VAL A 6 8.080 -12.900 -4.736 1.00 43.15 C ATOM 72 CG1 VAL A 6 8.986 -14.071 -4.389 1.00 22.31 C ATOM 73 CG2 VAL A 6 8.714 -11.582 -4.317 1.00 64.24 C ATOM 0 H VAL A 6 5.990 -11.793 -6.024 1.00 1.34 H new ATOM 0 HA VAL A 6 8.683 -12.707 -6.800 1.00 21.23 H new ATOM 0 HB VAL A 6 7.146 -13.019 -4.186 1.00 43.15 H new ATOM 0 HG11 VAL A 6 9.199 -14.062 -3.320 1.00 22.31 H new ATOM 0 HG12 VAL A 6 8.490 -15.005 -4.652 1.00 22.31 H new ATOM 0 HG13 VAL A 6 9.919 -13.986 -4.946 1.00 22.31 H new ATOM 0 HG21 VAL A 6 8.931 -11.606 -3.249 1.00 64.24 H new ATOM 0 HG22 VAL A 6 9.640 -11.431 -4.872 1.00 64.24 H new ATOM 0 HG23 VAL A 6 8.026 -10.764 -4.529 1.00 64.24 H new ATOM 83 N ILE A 7 7.809 -14.871 -7.641 1.00 11.40 N ATOM 84 CA ILE A 7 7.365 -16.175 -8.116 1.00 33.23 C ATOM 85 C ILE A 7 8.324 -17.276 -7.676 1.00 41.03 C ATOM 86 O ILE A 7 9.458 -17.352 -8.150 1.00 52.11 O ATOM 87 CB ILE A 7 7.238 -16.203 -9.650 1.00 51.43 C ATOM 88 CG1 ILE A 7 6.916 -17.619 -10.132 1.00 44.21 C ATOM 89 CG2 ILE A 7 8.518 -15.695 -10.297 1.00 23.23 C ATOM 90 CD1 ILE A 7 5.663 -18.197 -9.514 1.00 31.41 C ATOM 0 H ILE A 7 8.616 -14.493 -8.138 1.00 11.40 H new ATOM 0 HA ILE A 7 6.384 -16.353 -7.676 1.00 33.23 H new ATOM 0 HB ILE A 7 6.420 -15.545 -9.944 1.00 51.43 H new ATOM 0 HG12 ILE A 7 6.805 -17.609 -11.216 1.00 44.21 H new ATOM 0 HG13 ILE A 7 7.758 -18.272 -9.904 1.00 44.21 H new ATOM 0 HG21 ILE A 7 8.413 -15.721 -11.382 1.00 23.23 H new ATOM 0 HG22 ILE A 7 8.707 -14.671 -9.975 1.00 23.23 H new ATOM 0 HG23 ILE A 7 9.353 -16.329 -9.998 1.00 23.23 H new ATOM 0 HD11 ILE A 7 5.497 -19.202 -9.901 1.00 31.41 H new ATOM 0 HD12 ILE A 7 5.778 -18.240 -8.431 1.00 31.41 H new ATOM 0 HD13 ILE A 7 4.810 -17.566 -9.764 1.00 31.41 H new ATOM 102 N VAL A 8 7.861 -18.129 -6.768 1.00 61.33 N ATOM 103 CA VAL A 8 8.677 -19.229 -6.267 1.00 13.24 C ATOM 104 C VAL A 8 7.906 -20.544 -6.298 1.00 50.31 C ATOM 105 O VAL A 8 6.722 -20.589 -5.965 1.00 34.32 O ATOM 106 CB VAL A 8 9.155 -18.961 -4.827 1.00 62.31 C ATOM 107 CG1 VAL A 8 9.932 -20.154 -4.292 1.00 62.41 C ATOM 108 CG2 VAL A 8 9.999 -17.697 -4.773 1.00 65.01 C ATOM 0 H VAL A 8 6.926 -18.080 -6.364 1.00 61.33 H new ATOM 0 HA VAL A 8 9.544 -19.305 -6.923 1.00 13.24 H new ATOM 0 HB VAL A 8 8.280 -18.814 -4.193 1.00 62.31 H new ATOM 0 HG11 VAL A 8 10.262 -19.947 -3.274 1.00 62.41 H new ATOM 0 HG12 VAL A 8 9.291 -21.036 -4.293 1.00 62.41 H new ATOM 0 HG13 VAL A 8 10.801 -20.336 -4.925 1.00 62.41 H new ATOM 0 HG21 VAL A 8 10.328 -17.523 -3.749 1.00 65.01 H new ATOM 0 HG22 VAL A 8 10.869 -17.813 -5.419 1.00 65.01 H new ATOM 0 HG23 VAL A 8 9.405 -16.848 -5.113 1.00 65.01 H new ATOM 118 N TYR A 9 8.586 -21.612 -6.700 1.00 54.24 N ATOM 119 CA TYR A 9 7.964 -22.929 -6.778 1.00 3.45 C ATOM 120 C TYR A 9 8.213 -23.724 -5.500 1.00 22.13 C ATOM 121 O TYR A 9 9.321 -23.726 -4.963 1.00 74.13 O ATOM 122 CB TYR A 9 8.502 -23.699 -7.984 1.00 61.53 C ATOM 123 CG TYR A 9 7.884 -23.276 -9.298 1.00 4.23 C ATOM 124 CD1 TYR A 9 7.963 -21.958 -9.732 1.00 23.21 C ATOM 125 CD2 TYR A 9 7.221 -24.192 -10.104 1.00 21.50 C ATOM 126 CE1 TYR A 9 7.400 -21.566 -10.931 1.00 31.22 C ATOM 127 CE2 TYR A 9 6.656 -23.810 -11.305 1.00 40.20 C ATOM 128 CZ TYR A 9 6.748 -22.496 -11.714 1.00 12.30 C ATOM 129 OH TYR A 9 6.185 -22.110 -12.909 1.00 70.31 O ATOM 0 H TYR A 9 9.568 -21.592 -6.977 1.00 54.24 H new ATOM 0 HA TYR A 9 6.889 -22.790 -6.895 1.00 3.45 H new ATOM 0 HB2 TYR A 9 9.582 -23.562 -8.039 1.00 61.53 H new ATOM 0 HB3 TYR A 9 8.323 -24.764 -7.834 1.00 61.53 H new ATOM 0 HD1 TYR A 9 8.473 -21.228 -9.121 1.00 23.21 H new ATOM 0 HD2 TYR A 9 7.146 -25.221 -9.786 1.00 21.50 H new ATOM 0 HE1 TYR A 9 7.470 -20.538 -11.253 1.00 31.22 H new ATOM 0 HE2 TYR A 9 6.145 -24.536 -11.920 1.00 40.20 H new ATOM 0 HH TYR A 9 5.765 -22.885 -13.338 1.00 70.31 H new ATOM 139 N GLU A 10 7.174 -24.399 -5.019 1.00 31.23 N ATOM 140 CA GLU A 10 7.279 -25.199 -3.804 1.00 2.31 C ATOM 141 C GLU A 10 7.598 -26.654 -4.136 1.00 53.30 C ATOM 142 O GLU A 10 7.023 -27.575 -3.556 1.00 15.04 O ATOM 143 CB GLU A 10 5.979 -25.120 -3.001 1.00 21.32 C ATOM 144 CG GLU A 10 6.101 -25.671 -1.590 1.00 71.31 C ATOM 145 CD GLU A 10 5.286 -24.883 -0.583 1.00 75.15 C ATOM 146 OE1 GLU A 10 5.618 -23.703 -0.345 1.00 65.11 O ATOM 147 OE2 GLU A 10 4.315 -25.445 -0.034 1.00 65.52 O ATOM 0 H GLU A 10 6.250 -24.408 -5.452 1.00 31.23 H new ATOM 0 HA GLU A 10 8.094 -24.795 -3.203 1.00 2.31 H new ATOM 0 HB2 GLU A 10 5.656 -24.080 -2.949 1.00 21.32 H new ATOM 0 HB3 GLU A 10 5.201 -25.669 -3.531 1.00 21.32 H new ATOM 0 HG2 GLU A 10 5.775 -26.711 -1.581 1.00 71.31 H new ATOM 0 HG3 GLU A 10 7.149 -25.662 -1.290 1.00 71.31 H new ATOM 154 N HIS A 11 8.518 -26.852 -5.075 1.00 31.55 N ATOM 155 CA HIS A 11 8.914 -28.195 -5.485 1.00 33.12 C ATOM 156 C HIS A 11 9.880 -28.140 -6.664 1.00 52.04 C ATOM 157 O HIS A 11 10.373 -27.072 -7.027 1.00 11.20 O ATOM 158 CB HIS A 11 7.682 -29.021 -5.857 1.00 63.23 C ATOM 159 CG HIS A 11 7.481 -30.223 -4.986 1.00 44.04 C ATOM 160 ND1 HIS A 11 8.450 -31.186 -4.798 1.00 20.13 N ATOM 161 CD2 HIS A 11 6.415 -30.614 -4.250 1.00 24.14 C ATOM 162 CE1 HIS A 11 7.988 -32.119 -3.984 1.00 10.51 C ATOM 163 NE2 HIS A 11 6.755 -31.795 -3.636 1.00 45.15 N ATOM 0 H HIS A 11 9.003 -26.101 -5.566 1.00 31.55 H new ATOM 0 HA HIS A 11 9.421 -28.671 -4.645 1.00 33.12 H new ATOM 0 HB2 HIS A 11 6.798 -28.387 -5.796 1.00 63.23 H new ATOM 0 HB3 HIS A 11 7.771 -29.345 -6.894 1.00 63.23 H new ATOM 0 HD2 HIS A 11 5.472 -30.094 -4.162 1.00 24.14 H new ATOM 0 HE1 HIS A 11 8.526 -32.997 -3.659 1.00 10.51 H new ATOM 0 HE2 HIS A 11 6.154 -32.334 -3.013 1.00 45.15 H new ATOM 171 N VAL A 12 10.147 -29.298 -7.259 1.00 73.42 N ATOM 172 CA VAL A 12 11.053 -29.382 -8.398 1.00 25.11 C ATOM 173 C VAL A 12 10.496 -28.630 -9.601 1.00 74.21 C ATOM 174 O VAL A 12 9.299 -28.354 -9.673 1.00 0.13 O ATOM 175 CB VAL A 12 11.318 -30.846 -8.798 1.00 51.35 C ATOM 176 CG1 VAL A 12 12.519 -30.937 -9.727 1.00 50.44 C ATOM 177 CG2 VAL A 12 11.523 -31.707 -7.562 1.00 25.22 C ATOM 0 H VAL A 12 9.748 -30.192 -6.971 1.00 73.42 H new ATOM 0 HA VAL A 12 11.992 -28.922 -8.090 1.00 25.11 H new ATOM 0 HB VAL A 12 10.446 -31.222 -9.333 1.00 51.35 H new ATOM 0 HG11 VAL A 12 12.691 -31.979 -9.999 1.00 50.44 H new ATOM 0 HG12 VAL A 12 12.327 -30.354 -10.628 1.00 50.44 H new ATOM 0 HG13 VAL A 12 13.401 -30.544 -9.221 1.00 50.44 H new ATOM 0 HG21 VAL A 12 11.709 -32.738 -7.863 1.00 25.22 H new ATOM 0 HG22 VAL A 12 12.377 -31.335 -6.997 1.00 25.22 H new ATOM 0 HG23 VAL A 12 10.630 -31.667 -6.938 1.00 25.22 H new ATOM 187 N ASN A 13 11.372 -28.302 -10.545 1.00 73.32 N ATOM 188 CA ASN A 13 10.967 -27.582 -11.747 1.00 13.32 C ATOM 189 C ASN A 13 10.507 -28.550 -12.833 1.00 3.22 C ATOM 190 O ASN A 13 11.001 -28.515 -13.960 1.00 25.11 O ATOM 191 CB ASN A 13 12.123 -26.725 -12.267 1.00 72.21 C ATOM 192 CG ASN A 13 11.711 -25.843 -13.430 1.00 10.35 C ATOM 193 OD1 ASN A 13 10.809 -25.014 -13.305 1.00 44.30 O ATOM 194 ND2 ASN A 13 12.372 -26.018 -14.568 1.00 54.21 N ATOM 0 H ASN A 13 12.367 -28.523 -10.501 1.00 73.32 H new ATOM 0 HA ASN A 13 10.131 -26.933 -11.487 1.00 13.32 H new ATOM 0 HB2 ASN A 13 12.502 -26.101 -11.458 1.00 72.21 H new ATOM 0 HB3 ASN A 13 12.941 -27.374 -12.579 1.00 72.21 H new ATOM 0 HD21 ASN A 13 12.139 -25.453 -15.385 1.00 54.21 H new ATOM 0 HD22 ASN A 13 13.112 -26.717 -14.625 1.00 54.21 H new ATOM 201 N PHE A 14 9.558 -29.413 -12.486 1.00 3.24 N ATOM 202 CA PHE A 14 9.032 -30.391 -13.430 1.00 71.12 C ATOM 203 C PHE A 14 7.908 -31.207 -12.799 1.00 14.25 C ATOM 204 O PHE A 14 7.683 -32.361 -13.161 1.00 44.35 O ATOM 205 CB PHE A 14 10.148 -31.323 -13.907 1.00 32.23 C ATOM 206 CG PHE A 14 10.378 -32.497 -12.998 1.00 14.32 C ATOM 207 CD1 PHE A 14 10.487 -32.318 -11.628 1.00 71.22 C ATOM 208 CD2 PHE A 14 10.485 -33.778 -13.513 1.00 71.43 C ATOM 209 CE1 PHE A 14 10.698 -33.396 -10.789 1.00 30.01 C ATOM 210 CE2 PHE A 14 10.695 -34.860 -12.679 1.00 45.00 C ATOM 211 CZ PHE A 14 10.803 -34.668 -11.315 1.00 64.44 C ATOM 0 H PHE A 14 9.138 -29.455 -11.558 1.00 3.24 H new ATOM 0 HA PHE A 14 8.628 -29.851 -14.286 1.00 71.12 H new ATOM 0 HB2 PHE A 14 9.904 -31.688 -14.905 1.00 32.23 H new ATOM 0 HB3 PHE A 14 11.074 -30.754 -13.994 1.00 32.23 H new ATOM 0 HD1 PHE A 14 10.406 -31.325 -11.211 1.00 71.22 H new ATOM 0 HD2 PHE A 14 10.403 -33.933 -14.579 1.00 71.43 H new ATOM 0 HE1 PHE A 14 10.781 -33.243 -9.723 1.00 30.01 H new ATOM 0 HE2 PHE A 14 10.775 -35.854 -13.093 1.00 45.00 H new ATOM 0 HZ PHE A 14 10.969 -35.512 -10.661 1.00 64.44 H new ATOM 221 N GLY A 15 7.203 -30.597 -11.849 1.00 64.43 N ATOM 222 CA GLY A 15 6.112 -31.281 -11.181 1.00 74.12 C ATOM 223 C GLY A 15 5.867 -30.753 -9.782 1.00 12.04 C ATOM 224 O GLY A 15 5.831 -31.518 -8.819 1.00 62.31 O ATOM 0 H GLY A 15 7.369 -29.642 -11.531 1.00 64.43 H new ATOM 0 HA2 GLY A 15 5.203 -31.171 -11.772 1.00 74.12 H new ATOM 0 HA3 GLY A 15 6.333 -32.347 -11.130 1.00 74.12 H new ATOM 228 N GLY A 16 5.699 -29.439 -9.667 1.00 51.13 N ATOM 229 CA GLY A 16 5.460 -28.831 -8.371 1.00 63.41 C ATOM 230 C GLY A 16 4.461 -27.694 -8.439 1.00 50.31 C ATOM 231 O GLY A 16 4.062 -27.271 -9.525 1.00 23.14 O ATOM 0 H GLY A 16 5.724 -28.784 -10.449 1.00 51.13 H new ATOM 0 HA2 GLY A 16 5.095 -29.590 -7.679 1.00 63.41 H new ATOM 0 HA3 GLY A 16 6.402 -28.459 -7.968 1.00 63.41 H new ATOM 235 N LYS A 17 4.053 -27.197 -7.276 1.00 50.55 N ATOM 236 CA LYS A 17 3.093 -26.101 -7.207 1.00 4.12 C ATOM 237 C LYS A 17 3.808 -24.756 -7.122 1.00 22.11 C ATOM 238 O LYS A 17 4.756 -24.594 -6.353 1.00 53.42 O ATOM 239 CB LYS A 17 2.173 -26.278 -5.997 1.00 74.34 C ATOM 240 CG LYS A 17 2.909 -26.288 -4.669 1.00 14.32 C ATOM 241 CD LYS A 17 2.753 -24.966 -3.936 1.00 2.22 C ATOM 242 CE LYS A 17 1.315 -24.737 -3.497 1.00 71.42 C ATOM 243 NZ LYS A 17 1.202 -24.590 -2.020 1.00 4.44 N ATOM 0 H LYS A 17 4.372 -27.536 -6.368 1.00 50.55 H new ATOM 0 HA LYS A 17 2.494 -26.118 -8.118 1.00 4.12 H new ATOM 0 HB2 LYS A 17 1.438 -25.473 -5.989 1.00 74.34 H new ATOM 0 HB3 LYS A 17 1.622 -27.212 -6.104 1.00 74.34 H new ATOM 0 HG2 LYS A 17 2.528 -27.098 -4.047 1.00 14.32 H new ATOM 0 HG3 LYS A 17 3.967 -26.488 -4.840 1.00 14.32 H new ATOM 0 HD2 LYS A 17 3.407 -24.953 -3.064 1.00 2.22 H new ATOM 0 HD3 LYS A 17 3.071 -24.150 -4.585 1.00 2.22 H new ATOM 0 HE2 LYS A 17 0.926 -23.842 -3.982 1.00 71.42 H new ATOM 0 HE3 LYS A 17 0.697 -25.572 -3.827 1.00 71.42 H new ATOM 0 HZ1 LYS A 17 0.207 -24.436 -1.762 1.00 4.44 H new ATOM 0 HZ2 LYS A 17 1.550 -25.454 -1.558 1.00 4.44 H new ATOM 0 HZ3 LYS A 17 1.771 -23.777 -1.707 1.00 4.44 H new ATOM 257 N SER A 18 3.347 -23.795 -7.916 1.00 0.24 N ATOM 258 CA SER A 18 3.944 -22.465 -7.931 1.00 42.55 C ATOM 259 C SER A 18 2.928 -21.408 -7.508 1.00 43.12 C ATOM 260 O SER A 18 1.722 -21.586 -7.680 1.00 1.14 O ATOM 261 CB SER A 18 4.483 -22.141 -9.326 1.00 54.34 C ATOM 262 OG SER A 18 3.586 -21.305 -10.038 1.00 2.13 O ATOM 0 H SER A 18 2.562 -23.913 -8.557 1.00 0.24 H new ATOM 0 HA SER A 18 4.769 -22.456 -7.219 1.00 42.55 H new ATOM 0 HB2 SER A 18 5.452 -21.650 -9.240 1.00 54.34 H new ATOM 0 HB3 SER A 18 4.642 -23.065 -9.881 1.00 54.34 H new ATOM 0 HG SER A 18 3.954 -21.111 -10.925 1.00 2.13 H new ATOM 268 N PHE A 19 3.425 -20.307 -6.954 1.00 61.00 N ATOM 269 CA PHE A 19 2.562 -19.221 -6.505 1.00 1.14 C ATOM 270 C PHE A 19 3.266 -17.874 -6.642 1.00 61.24 C ATOM 271 O PHE A 19 4.466 -17.760 -6.390 1.00 15.13 O ATOM 272 CB PHE A 19 2.142 -19.443 -5.050 1.00 64.20 C ATOM 273 CG PHE A 19 3.225 -20.043 -4.199 1.00 32.12 C ATOM 274 CD1 PHE A 19 4.327 -19.292 -3.825 1.00 42.53 C ATOM 275 CD2 PHE A 19 3.140 -21.359 -3.773 1.00 0.23 C ATOM 276 CE1 PHE A 19 5.325 -19.840 -3.042 1.00 31.43 C ATOM 277 CE2 PHE A 19 4.134 -21.913 -2.989 1.00 3.23 C ATOM 278 CZ PHE A 19 5.229 -21.153 -2.624 1.00 34.12 C ATOM 0 H PHE A 19 4.421 -20.143 -6.805 1.00 61.00 H new ATOM 0 HA PHE A 19 1.673 -19.213 -7.136 1.00 1.14 H new ATOM 0 HB2 PHE A 19 1.838 -18.489 -4.618 1.00 64.20 H new ATOM 0 HB3 PHE A 19 1.269 -20.096 -5.027 1.00 64.20 H new ATOM 0 HD1 PHE A 19 4.407 -18.265 -4.149 1.00 42.53 H new ATOM 0 HD2 PHE A 19 2.287 -21.958 -4.057 1.00 0.23 H new ATOM 0 HE1 PHE A 19 6.179 -19.243 -2.757 1.00 31.43 H new ATOM 0 HE2 PHE A 19 4.055 -22.939 -2.662 1.00 3.23 H new ATOM 0 HZ PHE A 19 6.008 -21.585 -2.013 1.00 34.12 H new ATOM 288 N ASP A 20 2.512 -16.858 -7.046 1.00 13.25 N ATOM 289 CA ASP A 20 3.062 -15.518 -7.217 1.00 71.21 C ATOM 290 C ASP A 20 2.105 -14.463 -6.671 1.00 34.53 C ATOM 291 O ASP A 20 1.463 -13.740 -7.432 1.00 33.04 O ATOM 292 CB ASP A 20 3.350 -15.247 -8.695 1.00 34.24 C ATOM 293 CG ASP A 20 4.387 -14.160 -8.892 1.00 41.44 C ATOM 294 OD1 ASP A 20 4.791 -13.536 -7.889 1.00 52.20 O ATOM 295 OD2 ASP A 20 4.795 -13.932 -10.051 1.00 12.31 O ATOM 0 H ASP A 20 1.518 -16.936 -7.261 1.00 13.25 H new ATOM 0 HA ASP A 20 3.995 -15.461 -6.656 1.00 71.21 H new ATOM 0 HB2 ASP A 20 3.696 -16.165 -9.169 1.00 34.24 H new ATOM 0 HB3 ASP A 20 2.426 -14.958 -9.195 1.00 34.24 H new ATOM 300 N ALA A 21 2.014 -14.383 -5.347 1.00 74.13 N ATOM 301 CA ALA A 21 1.136 -13.417 -4.699 1.00 53.22 C ATOM 302 C ALA A 21 1.780 -12.035 -4.652 1.00 73.30 C ATOM 303 O ALA A 21 2.925 -11.887 -4.225 1.00 43.43 O ATOM 304 CB ALA A 21 0.781 -13.884 -3.295 1.00 62.23 C ATOM 0 H ALA A 21 2.538 -14.976 -4.703 1.00 74.13 H new ATOM 0 HA ALA A 21 0.221 -13.343 -5.287 1.00 53.22 H new ATOM 0 HB1 ALA A 21 0.125 -13.153 -2.823 1.00 62.23 H new ATOM 0 HB2 ALA A 21 0.272 -14.846 -3.349 1.00 62.23 H new ATOM 0 HB3 ALA A 21 1.692 -13.988 -2.705 1.00 62.23 H new ATOM 310 N THR A 22 1.036 -11.025 -5.094 1.00 24.40 N ATOM 311 CA THR A 22 1.536 -9.656 -5.104 1.00 34.21 C ATOM 312 C THR A 22 1.131 -8.914 -3.835 1.00 61.32 C ATOM 313 O THR A 22 0.772 -7.738 -3.880 1.00 40.24 O ATOM 314 CB THR A 22 1.017 -8.878 -6.328 1.00 14.13 C ATOM 315 OG1 THR A 22 1.605 -7.573 -6.364 1.00 12.12 O ATOM 316 CG2 THR A 22 -0.499 -8.756 -6.288 1.00 52.42 C ATOM 0 H THR A 22 0.086 -11.130 -5.449 1.00 24.40 H new ATOM 0 HA THR A 22 2.623 -9.716 -5.155 1.00 34.21 H new ATOM 0 HB THR A 22 1.298 -9.427 -7.227 1.00 14.13 H new ATOM 0 HG1 THR A 22 1.423 -7.109 -5.520 1.00 12.12 H new ATOM 0 HG21 THR A 22 -0.843 -8.203 -7.162 1.00 52.42 H new ATOM 0 HG22 THR A 22 -0.944 -9.751 -6.290 1.00 52.42 H new ATOM 0 HG23 THR A 22 -0.798 -8.227 -5.383 1.00 52.42 H new ATOM 324 N SER A 23 1.192 -9.609 -2.704 1.00 23.32 N ATOM 325 CA SER A 23 0.829 -9.016 -1.422 1.00 22.50 C ATOM 326 C SER A 23 1.471 -9.782 -0.268 1.00 54.43 C ATOM 327 O SER A 23 0.786 -10.226 0.653 1.00 33.30 O ATOM 328 CB SER A 23 -0.692 -9.001 -1.256 1.00 24.23 C ATOM 329 OG SER A 23 -1.334 -8.653 -2.470 1.00 1.42 O ATOM 0 H SER A 23 1.489 -10.583 -2.649 1.00 23.32 H new ATOM 0 HA SER A 23 1.199 -7.991 -1.405 1.00 22.50 H new ATOM 0 HB2 SER A 23 -1.035 -9.982 -0.928 1.00 24.23 H new ATOM 0 HB3 SER A 23 -0.969 -8.290 -0.478 1.00 24.23 H new ATOM 0 HG SER A 23 -0.806 -7.972 -2.936 1.00 1.42 H new ATOM 335 N ASP A 24 2.789 -9.931 -0.327 1.00 3.13 N ATOM 336 CA ASP A 24 3.525 -10.641 0.713 1.00 61.22 C ATOM 337 C ASP A 24 3.111 -12.108 0.766 1.00 70.52 C ATOM 338 O ASP A 24 2.016 -12.437 1.221 1.00 70.42 O ATOM 339 CB ASP A 24 3.291 -9.983 2.073 1.00 1.05 C ATOM 340 CG ASP A 24 3.319 -8.469 1.997 1.00 63.12 C ATOM 341 OD1 ASP A 24 4.112 -7.931 1.197 1.00 42.35 O ATOM 342 OD2 ASP A 24 2.549 -7.823 2.738 1.00 40.33 O ATOM 0 H ASP A 24 3.370 -9.570 -1.084 1.00 3.13 H new ATOM 0 HA ASP A 24 4.587 -10.590 0.472 1.00 61.22 H new ATOM 0 HB2 ASP A 24 2.328 -10.306 2.469 1.00 1.05 H new ATOM 0 HB3 ASP A 24 4.054 -10.323 2.774 1.00 1.05 H new ATOM 347 N GLN A 25 3.994 -12.984 0.296 1.00 34.45 N ATOM 348 CA GLN A 25 3.718 -14.416 0.289 1.00 21.30 C ATOM 349 C GLN A 25 3.957 -15.024 1.667 1.00 0.24 C ATOM 350 O GLN A 25 4.617 -14.437 2.525 1.00 23.22 O ATOM 351 CB GLN A 25 4.593 -15.120 -0.750 1.00 53.11 C ATOM 352 CG GLN A 25 3.827 -15.574 -1.982 1.00 63.24 C ATOM 353 CD GLN A 25 4.506 -15.165 -3.275 1.00 21.13 C ATOM 354 OE1 GLN A 25 4.264 -14.078 -3.799 1.00 43.42 O ATOM 355 NE2 GLN A 25 5.362 -16.037 -3.796 1.00 12.41 N ATOM 0 H GLN A 25 4.905 -12.728 -0.084 1.00 34.45 H new ATOM 0 HA GLN A 25 2.669 -14.557 0.027 1.00 21.30 H new ATOM 0 HB2 GLN A 25 5.392 -14.445 -1.057 1.00 53.11 H new ATOM 0 HB3 GLN A 25 5.067 -15.986 -0.287 1.00 53.11 H new ATOM 0 HG2 GLN A 25 3.720 -16.659 -1.959 1.00 63.24 H new ATOM 0 HG3 GLN A 25 2.822 -15.154 -1.955 1.00 63.24 H new ATOM 0 HE21 GLN A 25 5.532 -16.927 -3.327 1.00 12.41 H new ATOM 0 HE22 GLN A 25 5.849 -15.817 -4.665 1.00 12.41 H new ATOM 364 N PRO A 26 3.408 -16.227 1.887 1.00 34.44 N ATOM 365 CA PRO A 26 3.548 -16.941 3.160 1.00 14.24 C ATOM 366 C PRO A 26 4.990 -16.970 3.653 1.00 65.01 C ATOM 367 O PRO A 26 5.245 -17.016 4.856 1.00 43.14 O ATOM 368 CB PRO A 26 3.067 -18.356 2.829 1.00 50.32 C ATOM 369 CG PRO A 26 2.136 -18.180 1.679 1.00 44.02 C ATOM 370 CD PRO A 26 2.608 -16.985 0.910 1.00 31.02 C ATOM 0 HA PRO A 26 2.984 -16.461 3.960 1.00 14.24 H new ATOM 0 HB2 PRO A 26 3.901 -19.007 2.567 1.00 50.32 H new ATOM 0 HB3 PRO A 26 2.562 -18.812 3.681 1.00 50.32 H new ATOM 0 HG2 PRO A 26 2.132 -19.068 1.047 1.00 44.02 H new ATOM 0 HG3 PRO A 26 1.114 -18.034 2.029 1.00 44.02 H new ATOM 0 HD2 PRO A 26 3.205 -17.277 0.046 1.00 31.02 H new ATOM 0 HD3 PRO A 26 1.771 -16.395 0.535 1.00 31.02 H new ATOM 378 N GLY A 27 5.932 -16.943 2.715 1.00 42.35 N ATOM 379 CA GLY A 27 7.338 -16.966 3.074 1.00 61.34 C ATOM 380 C GLY A 27 7.759 -18.289 3.683 1.00 73.12 C ATOM 381 O GLY A 27 7.029 -19.277 3.602 1.00 2.14 O ATOM 0 H GLY A 27 5.746 -16.906 1.713 1.00 42.35 H new ATOM 0 HA2 GLY A 27 7.940 -16.770 2.186 1.00 61.34 H new ATOM 0 HA3 GLY A 27 7.542 -16.162 3.781 1.00 61.34 H new ATOM 385 N ALA A 28 8.939 -18.309 4.293 1.00 64.15 N ATOM 386 CA ALA A 28 9.456 -19.520 4.918 1.00 73.32 C ATOM 387 C ALA A 28 9.022 -19.613 6.377 1.00 53.22 C ATOM 388 O ALA A 28 9.324 -18.733 7.181 1.00 11.35 O ATOM 389 CB ALA A 28 10.973 -19.563 4.813 1.00 40.21 C ATOM 0 H ALA A 28 9.555 -17.500 4.368 1.00 64.15 H new ATOM 0 HA ALA A 28 9.042 -20.377 4.387 1.00 73.32 H new ATOM 0 HB1 ALA A 28 11.345 -20.473 5.284 1.00 40.21 H new ATOM 0 HB2 ALA A 28 11.265 -19.552 3.763 1.00 40.21 H new ATOM 0 HB3 ALA A 28 11.397 -18.694 5.317 1.00 40.21 H new ATOM 395 N GLY A 29 8.310 -20.685 6.711 1.00 31.10 N ATOM 396 CA GLY A 29 7.845 -20.872 8.073 1.00 1.20 C ATOM 397 C GLY A 29 7.878 -22.325 8.503 1.00 74.14 C ATOM 398 O GLY A 29 8.231 -22.635 9.640 1.00 23.52 O ATOM 0 H GLY A 29 8.047 -21.427 6.063 1.00 31.10 H new ATOM 0 HA2 GLY A 29 8.464 -20.282 8.749 1.00 1.20 H new ATOM 0 HA3 GLY A 29 6.827 -20.493 8.161 1.00 1.20 H new ATOM 402 N ASP A 30 7.506 -23.218 7.592 1.00 41.13 N ATOM 403 CA ASP A 30 7.493 -24.647 7.882 1.00 5.14 C ATOM 404 C ASP A 30 8.766 -25.316 7.374 1.00 64.24 C ATOM 405 O ASP A 30 8.779 -26.513 7.091 1.00 24.53 O ATOM 406 CB ASP A 30 6.267 -25.307 7.250 1.00 45.15 C ATOM 407 CG ASP A 30 4.983 -24.958 7.975 1.00 31.23 C ATOM 408 OD1 ASP A 30 5.027 -24.097 8.878 1.00 40.31 O ATOM 409 OD2 ASP A 30 3.934 -25.548 7.641 1.00 15.42 O ATOM 0 H ASP A 30 7.209 -22.977 6.646 1.00 41.13 H new ATOM 0 HA ASP A 30 7.445 -24.773 8.964 1.00 5.14 H new ATOM 0 HB2 ASP A 30 6.188 -24.997 6.208 1.00 45.15 H new ATOM 0 HB3 ASP A 30 6.399 -26.389 7.252 1.00 45.15 H new ATOM 414 N ASN A 31 9.835 -24.534 7.258 1.00 13.03 N ATOM 415 CA ASN A 31 11.113 -25.051 6.782 1.00 55.23 C ATOM 416 C ASN A 31 11.676 -26.086 7.751 1.00 42.34 C ATOM 417 O ASN A 31 11.053 -26.409 8.763 1.00 42.20 O ATOM 418 CB ASN A 31 12.113 -23.907 6.600 1.00 20.53 C ATOM 419 CG ASN A 31 12.321 -23.547 5.142 1.00 21.20 C ATOM 420 OD1 ASN A 31 11.547 -22.585 4.654 1.00 61.24 O flip ATOM 421 ND2 ASN A 31 13.168 -24.127 4.463 1.00 11.12 N flip ATOM 0 H ASN A 31 9.841 -23.540 7.487 1.00 13.03 H new ATOM 0 HA ASN A 31 10.946 -25.535 5.820 1.00 55.23 H new ATOM 0 HB2 ASN A 31 11.759 -23.029 7.141 1.00 20.53 H new ATOM 0 HB3 ASN A 31 13.069 -24.190 7.041 1.00 20.53 H new ATOM 0 HD21 ASN A 31 13.741 -24.861 4.880 1.00 11.12 H new ATOM 0 HD22 ASN A 31 13.297 -23.874 3.483 1.00 11.12 H new ATOM 428 N LEU A 32 12.859 -26.602 7.434 1.00 14.11 N ATOM 429 CA LEU A 32 13.508 -27.600 8.277 1.00 72.34 C ATOM 430 C LEU A 32 14.884 -27.964 7.728 1.00 74.42 C ATOM 431 O LEU A 32 15.895 -27.395 8.135 1.00 64.14 O ATOM 432 CB LEU A 32 12.638 -28.855 8.377 1.00 1.35 C ATOM 433 CG LEU A 32 13.277 -30.060 9.068 1.00 74.41 C ATOM 434 CD1 LEU A 32 12.555 -30.374 10.369 1.00 20.23 C ATOM 435 CD2 LEU A 32 13.267 -31.270 8.145 1.00 34.42 C ATOM 0 H LEU A 32 13.388 -26.346 6.600 1.00 14.11 H new ATOM 0 HA LEU A 32 13.635 -27.173 9.272 1.00 72.34 H new ATOM 0 HB2 LEU A 32 11.724 -28.597 8.911 1.00 1.35 H new ATOM 0 HB3 LEU A 32 12.346 -29.152 7.370 1.00 1.35 H new ATOM 0 HG LEU A 32 14.313 -29.814 9.302 1.00 74.41 H new ATOM 0 HD11 LEU A 32 13.024 -31.234 10.847 1.00 20.23 H new ATOM 0 HD12 LEU A 32 12.614 -29.513 11.035 1.00 20.23 H new ATOM 0 HD13 LEU A 32 11.510 -30.600 10.159 1.00 20.23 H new ATOM 0 HD21 LEU A 32 13.726 -32.119 8.653 1.00 34.42 H new ATOM 0 HD22 LEU A 32 12.239 -31.517 7.881 1.00 34.42 H new ATOM 0 HD23 LEU A 32 13.829 -31.042 7.240 1.00 34.42 H new ATOM 447 N ASN A 33 14.912 -28.916 6.800 1.00 42.41 N ATOM 448 CA ASN A 33 16.164 -29.355 6.194 1.00 52.44 C ATOM 449 C ASN A 33 15.909 -30.039 4.854 1.00 33.33 C ATOM 450 O ASN A 33 16.653 -29.843 3.893 1.00 12.33 O ATOM 451 CB ASN A 33 16.903 -30.308 7.134 1.00 23.40 C ATOM 452 CG ASN A 33 17.863 -31.221 6.395 1.00 75.13 C ATOM 453 OD1 ASN A 33 18.913 -30.785 5.924 1.00 23.30 O ATOM 454 ND2 ASN A 33 17.504 -32.495 6.289 1.00 31.33 N ATOM 0 H ASN A 33 14.083 -29.397 6.452 1.00 42.41 H new ATOM 0 HA ASN A 33 16.783 -28.475 6.020 1.00 52.44 H new ATOM 0 HB2 ASN A 33 17.454 -29.729 7.874 1.00 23.40 H new ATOM 0 HB3 ASN A 33 16.177 -30.912 7.678 1.00 23.40 H new ATOM 0 HD21 ASN A 33 18.108 -33.156 5.801 1.00 31.33 H new ATOM 0 HD22 ASN A 33 16.624 -32.812 6.695 1.00 31.33 H new ATOM 461 N ASP A 34 14.852 -30.843 4.799 1.00 44.12 N ATOM 462 CA ASP A 34 14.497 -31.556 3.577 1.00 4.21 C ATOM 463 C ASP A 34 13.780 -30.632 2.598 1.00 45.24 C ATOM 464 O ASP A 34 12.642 -30.888 2.205 1.00 30.21 O ATOM 465 CB ASP A 34 13.612 -32.760 3.903 1.00 42.22 C ATOM 466 CG ASP A 34 13.690 -33.839 2.841 1.00 33.42 C ATOM 467 OD1 ASP A 34 14.626 -34.664 2.901 1.00 74.43 O ATOM 468 OD2 ASP A 34 12.814 -33.860 1.951 1.00 10.25 O ATOM 0 H ASP A 34 14.227 -31.017 5.586 1.00 44.12 H new ATOM 0 HA ASP A 34 15.417 -31.907 3.110 1.00 4.21 H new ATOM 0 HB2 ASP A 34 13.911 -33.178 4.864 1.00 42.22 H new ATOM 0 HB3 ASP A 34 12.578 -32.430 4.007 1.00 42.22 H new ATOM 473 N LYS A 35 14.454 -29.555 2.207 1.00 71.11 N ATOM 474 CA LYS A 35 13.883 -28.592 1.273 1.00 13.11 C ATOM 475 C LYS A 35 14.485 -28.760 -0.118 1.00 51.12 C ATOM 476 O LYS A 35 15.702 -28.868 -0.269 1.00 22.14 O ATOM 477 CB LYS A 35 14.118 -27.165 1.773 1.00 14.22 C ATOM 478 CG LYS A 35 15.574 -26.860 2.080 1.00 15.14 C ATOM 479 CD LYS A 35 15.814 -25.366 2.217 1.00 15.31 C ATOM 480 CE LYS A 35 16.237 -24.746 0.894 1.00 2.13 C ATOM 481 NZ LYS A 35 17.507 -23.979 1.023 1.00 40.32 N ATOM 0 H LYS A 35 15.397 -29.327 2.523 1.00 71.11 H new ATOM 0 HA LYS A 35 12.811 -28.777 1.210 1.00 13.11 H new ATOM 0 HB2 LYS A 35 13.759 -26.462 1.021 1.00 14.22 H new ATOM 0 HB3 LYS A 35 13.524 -27.002 2.672 1.00 14.22 H new ATOM 0 HG2 LYS A 35 15.865 -27.362 3.003 1.00 15.14 H new ATOM 0 HG3 LYS A 35 16.206 -27.260 1.287 1.00 15.14 H new ATOM 0 HD2 LYS A 35 14.905 -24.881 2.573 1.00 15.31 H new ATOM 0 HD3 LYS A 35 16.585 -25.187 2.967 1.00 15.31 H new ATOM 0 HE2 LYS A 35 16.361 -25.531 0.148 1.00 2.13 H new ATOM 0 HE3 LYS A 35 15.448 -24.085 0.534 1.00 2.13 H new ATOM 0 HZ1 LYS A 35 17.614 -23.345 0.205 1.00 40.32 H new ATOM 0 HZ2 LYS A 35 17.485 -23.416 1.897 1.00 40.32 H new ATOM 0 HZ3 LYS A 35 18.310 -24.640 1.057 1.00 40.32 H new ATOM 495 N ILE A 36 13.626 -28.779 -1.131 1.00 75.54 N ATOM 496 CA ILE A 36 14.074 -28.932 -2.510 1.00 0.51 C ATOM 497 C ILE A 36 13.090 -28.290 -3.482 1.00 72.11 C ATOM 498 O ILE A 36 11.981 -28.788 -3.677 1.00 51.54 O ATOM 499 CB ILE A 36 14.254 -30.415 -2.883 1.00 52.11 C ATOM 500 CG1 ILE A 36 13.033 -31.226 -2.443 1.00 50.43 C ATOM 501 CG2 ILE A 36 15.521 -30.970 -2.251 1.00 21.35 C ATOM 502 CD1 ILE A 36 12.506 -32.154 -3.515 1.00 41.00 C ATOM 0 H ILE A 36 12.616 -28.690 -1.023 1.00 75.54 H new ATOM 0 HA ILE A 36 15.037 -28.428 -2.586 1.00 0.51 H new ATOM 0 HB ILE A 36 14.347 -30.493 -3.966 1.00 52.11 H new ATOM 0 HG12 ILE A 36 13.295 -31.813 -1.562 1.00 50.43 H new ATOM 0 HG13 ILE A 36 12.240 -30.540 -2.145 1.00 50.43 H new ATOM 0 HG21 ILE A 36 15.634 -32.019 -2.524 1.00 21.35 H new ATOM 0 HG22 ILE A 36 16.383 -30.407 -2.609 1.00 21.35 H new ATOM 0 HG23 ILE A 36 15.455 -30.882 -1.167 1.00 21.35 H new ATOM 0 HD11 ILE A 36 11.641 -32.697 -3.133 1.00 41.00 H new ATOM 0 HD12 ILE A 36 12.213 -31.572 -4.388 1.00 41.00 H new ATOM 0 HD13 ILE A 36 13.284 -32.864 -3.797 1.00 41.00 H new ATOM 514 N SER A 37 13.504 -27.183 -4.091 1.00 31.41 N ATOM 515 CA SER A 37 12.658 -26.472 -5.042 1.00 61.01 C ATOM 516 C SER A 37 13.477 -25.477 -5.859 1.00 30.01 C ATOM 517 O SER A 37 14.707 -25.499 -5.832 1.00 64.11 O ATOM 518 CB SER A 37 11.531 -25.742 -4.308 1.00 45.15 C ATOM 519 OG SER A 37 11.994 -24.527 -3.744 1.00 31.34 O ATOM 0 H SER A 37 14.420 -26.759 -3.943 1.00 31.41 H new ATOM 0 HA SER A 37 12.224 -27.204 -5.723 1.00 61.01 H new ATOM 0 HB2 SER A 37 10.714 -25.537 -5.000 1.00 45.15 H new ATOM 0 HB3 SER A 37 11.130 -26.382 -3.522 1.00 45.15 H new ATOM 0 HG SER A 37 11.331 -23.822 -3.897 1.00 31.34 H new ATOM 525 N SER A 38 12.784 -24.605 -6.585 1.00 24.04 N ATOM 526 CA SER A 38 13.446 -23.604 -7.413 1.00 10.31 C ATOM 527 C SER A 38 12.977 -22.199 -7.045 1.00 63.15 C ATOM 528 O SER A 38 11.855 -22.011 -6.574 1.00 4.10 O ATOM 529 CB SER A 38 13.172 -23.874 -8.894 1.00 20.14 C ATOM 530 OG SER A 38 12.693 -25.193 -9.091 1.00 52.00 O ATOM 0 H SER A 38 11.765 -24.572 -6.616 1.00 24.04 H new ATOM 0 HA SER A 38 14.519 -23.670 -7.232 1.00 10.31 H new ATOM 0 HB2 SER A 38 12.440 -23.158 -9.268 1.00 20.14 H new ATOM 0 HB3 SER A 38 14.086 -23.726 -9.469 1.00 20.14 H new ATOM 0 HG SER A 38 11.802 -25.160 -9.497 1.00 52.00 H new ATOM 536 N ILE A 39 13.845 -21.217 -7.265 1.00 15.40 N ATOM 537 CA ILE A 39 13.520 -19.829 -6.958 1.00 71.14 C ATOM 538 C ILE A 39 13.609 -18.955 -8.205 1.00 32.30 C ATOM 539 O ILE A 39 14.519 -19.107 -9.020 1.00 22.22 O ATOM 540 CB ILE A 39 14.456 -19.258 -5.877 1.00 13.32 C ATOM 541 CG1 ILE A 39 13.899 -19.552 -4.482 1.00 52.14 C ATOM 542 CG2 ILE A 39 14.641 -17.761 -6.074 1.00 42.41 C ATOM 543 CD1 ILE A 39 13.579 -21.013 -4.255 1.00 44.22 C ATOM 0 H ILE A 39 14.777 -21.356 -7.654 1.00 15.40 H new ATOM 0 HA ILE A 39 12.497 -19.820 -6.583 1.00 71.14 H new ATOM 0 HB ILE A 39 15.429 -19.740 -5.968 1.00 13.32 H new ATOM 0 HG12 ILE A 39 14.623 -19.226 -3.735 1.00 52.14 H new ATOM 0 HG13 ILE A 39 12.995 -18.962 -4.329 1.00 52.14 H new ATOM 0 HG21 ILE A 39 15.305 -17.372 -5.302 1.00 42.41 H new ATOM 0 HG22 ILE A 39 15.077 -17.574 -7.056 1.00 42.41 H new ATOM 0 HG23 ILE A 39 13.674 -17.263 -6.006 1.00 42.41 H new ATOM 0 HD11 ILE A 39 13.189 -21.148 -3.246 1.00 44.22 H new ATOM 0 HD12 ILE A 39 12.832 -21.339 -4.979 1.00 44.22 H new ATOM 0 HD13 ILE A 39 14.485 -21.607 -4.376 1.00 44.22 H new ATOM 555 N LYS A 40 12.658 -18.038 -8.347 1.00 30.12 N ATOM 556 CA LYS A 40 12.629 -17.136 -9.492 1.00 60.22 C ATOM 557 C LYS A 40 12.273 -15.718 -9.059 1.00 3.32 C ATOM 558 O LYS A 40 11.253 -15.494 -8.407 1.00 22.42 O ATOM 559 CB LYS A 40 11.621 -17.631 -10.532 1.00 30.22 C ATOM 560 CG LYS A 40 12.023 -17.323 -11.964 1.00 20.03 C ATOM 561 CD LYS A 40 10.814 -17.002 -12.826 1.00 34.23 C ATOM 562 CE LYS A 40 11.058 -17.360 -14.284 1.00 34.12 C ATOM 563 NZ LYS A 40 9.790 -17.400 -15.065 1.00 22.03 N ATOM 0 H LYS A 40 11.896 -17.900 -7.683 1.00 30.12 H new ATOM 0 HA LYS A 40 13.624 -17.122 -9.937 1.00 60.22 H new ATOM 0 HB2 LYS A 40 11.498 -18.708 -10.422 1.00 30.22 H new ATOM 0 HB3 LYS A 40 10.651 -17.177 -10.330 1.00 30.22 H new ATOM 0 HG2 LYS A 40 12.713 -16.480 -11.976 1.00 20.03 H new ATOM 0 HG3 LYS A 40 12.555 -18.176 -12.385 1.00 20.03 H new ATOM 0 HD2 LYS A 40 9.947 -17.549 -12.456 1.00 34.23 H new ATOM 0 HD3 LYS A 40 10.580 -15.941 -12.745 1.00 34.23 H new ATOM 0 HE2 LYS A 40 11.736 -16.631 -14.729 1.00 34.12 H new ATOM 0 HE3 LYS A 40 11.551 -18.330 -14.342 1.00 34.12 H new ATOM 0 HZ1 LYS A 40 9.999 -17.647 -16.053 1.00 22.03 H new ATOM 0 HZ2 LYS A 40 9.153 -18.114 -14.657 1.00 22.03 H new ATOM 0 HZ3 LYS A 40 9.332 -16.467 -15.031 1.00 22.03 H new ATOM 577 N VAL A 41 13.120 -14.761 -9.426 1.00 63.45 N ATOM 578 CA VAL A 41 12.894 -13.364 -9.078 1.00 13.11 C ATOM 579 C VAL A 41 12.914 -12.478 -10.318 1.00 42.23 C ATOM 580 O VAL A 41 13.742 -12.659 -11.211 1.00 62.32 O ATOM 581 CB VAL A 41 13.951 -12.856 -8.080 1.00 1.21 C ATOM 582 CG1 VAL A 41 15.345 -12.962 -8.679 1.00 23.13 C ATOM 583 CG2 VAL A 41 13.648 -11.424 -7.666 1.00 15.13 C ATOM 0 H VAL A 41 13.970 -14.929 -9.965 1.00 63.45 H new ATOM 0 HA VAL A 41 11.910 -13.309 -8.612 1.00 13.11 H new ATOM 0 HB VAL A 41 13.915 -13.483 -7.189 1.00 1.21 H new ATOM 0 HG11 VAL A 41 16.079 -12.599 -7.960 1.00 23.13 H new ATOM 0 HG12 VAL A 41 15.559 -14.003 -8.921 1.00 23.13 H new ATOM 0 HG13 VAL A 41 15.398 -12.360 -9.586 1.00 23.13 H new ATOM 0 HG21 VAL A 41 14.405 -11.081 -6.961 1.00 15.13 H new ATOM 0 HG22 VAL A 41 13.655 -10.781 -8.546 1.00 15.13 H new ATOM 0 HG23 VAL A 41 12.666 -11.382 -7.194 1.00 15.13 H new ATOM 593 N LYS A 42 11.997 -11.517 -10.368 1.00 24.33 N ATOM 594 CA LYS A 42 11.910 -10.600 -11.498 1.00 12.04 C ATOM 595 C LYS A 42 11.589 -9.185 -11.026 1.00 72.32 C ATOM 596 O LYS A 42 10.815 -8.470 -11.662 1.00 14.22 O ATOM 597 CB LYS A 42 10.841 -11.075 -12.485 1.00 2.22 C ATOM 598 CG LYS A 42 11.296 -12.225 -13.366 1.00 74.23 C ATOM 599 CD LYS A 42 11.289 -11.838 -14.836 1.00 34.43 C ATOM 600 CE LYS A 42 12.458 -10.927 -15.178 1.00 35.23 C ATOM 601 NZ LYS A 42 13.562 -11.669 -15.847 1.00 74.03 N ATOM 0 H LYS A 42 11.303 -11.353 -9.638 1.00 24.33 H new ATOM 0 HA LYS A 42 12.878 -10.586 -11.999 1.00 12.04 H new ATOM 0 HB2 LYS A 42 9.956 -11.383 -11.929 1.00 2.22 H new ATOM 0 HB3 LYS A 42 10.545 -10.238 -13.118 1.00 2.22 H new ATOM 0 HG2 LYS A 42 12.300 -12.533 -13.075 1.00 74.23 H new ATOM 0 HG3 LYS A 42 10.642 -13.083 -13.212 1.00 74.23 H new ATOM 0 HD2 LYS A 42 11.335 -12.737 -15.450 1.00 34.43 H new ATOM 0 HD3 LYS A 42 10.352 -11.335 -15.077 1.00 34.43 H new ATOM 0 HE2 LYS A 42 12.114 -10.123 -15.829 1.00 35.23 H new ATOM 0 HE3 LYS A 42 12.834 -10.461 -14.267 1.00 35.23 H new ATOM 0 HZ1 LYS A 42 14.340 -11.013 -16.064 1.00 74.03 H new ATOM 0 HZ2 LYS A 42 13.908 -12.420 -15.216 1.00 74.03 H new ATOM 0 HZ3 LYS A 42 13.211 -12.093 -16.729 1.00 74.03 H new ATOM 615 N SER A 43 12.190 -8.788 -9.909 1.00 52.23 N ATOM 616 CA SER A 43 11.966 -7.459 -9.352 1.00 32.11 C ATOM 617 C SER A 43 12.734 -7.281 -8.046 1.00 22.21 C ATOM 618 O SER A 43 12.408 -7.897 -7.032 1.00 24.10 O ATOM 619 CB SER A 43 10.472 -7.228 -9.114 1.00 23.04 C ATOM 620 OG SER A 43 10.039 -6.024 -9.722 1.00 41.20 O ATOM 0 H SER A 43 12.835 -9.367 -9.372 1.00 52.23 H new ATOM 0 HA SER A 43 12.330 -6.725 -10.070 1.00 32.11 H new ATOM 0 HB2 SER A 43 9.903 -8.067 -9.515 1.00 23.04 H new ATOM 0 HB3 SER A 43 10.273 -7.190 -8.043 1.00 23.04 H new ATOM 0 HG SER A 43 9.081 -5.900 -9.557 1.00 41.20 H new ATOM 626 N GLY A 44 13.758 -6.433 -8.079 1.00 73.14 N ATOM 627 CA GLY A 44 14.558 -6.188 -6.893 1.00 75.55 C ATOM 628 C GLY A 44 15.297 -7.427 -6.427 1.00 41.24 C ATOM 629 O GLY A 44 15.653 -8.288 -7.233 1.00 53.30 O ATOM 0 H GLY A 44 14.048 -5.911 -8.906 1.00 73.14 H new ATOM 0 HA2 GLY A 44 15.278 -5.396 -7.101 1.00 75.55 H new ATOM 0 HA3 GLY A 44 13.913 -5.830 -6.091 1.00 75.55 H new ATOM 633 N THR A 45 15.532 -7.518 -5.122 1.00 11.11 N ATOM 634 CA THR A 45 16.237 -8.658 -4.550 1.00 34.12 C ATOM 635 C THR A 45 15.745 -8.957 -3.138 1.00 55.23 C ATOM 636 O THR A 45 15.143 -8.103 -2.487 1.00 41.30 O ATOM 637 CB THR A 45 17.757 -8.417 -4.511 1.00 4.32 C ATOM 638 OG1 THR A 45 18.065 -7.377 -3.576 1.00 15.24 O ATOM 639 CG2 THR A 45 18.281 -8.038 -5.888 1.00 53.01 C ATOM 0 H THR A 45 15.244 -6.815 -4.441 1.00 11.11 H new ATOM 0 HA THR A 45 16.029 -9.513 -5.193 1.00 34.12 H new ATOM 0 HB THR A 45 18.240 -9.342 -4.197 1.00 4.32 H new ATOM 0 HG1 THR A 45 19.034 -7.231 -3.556 1.00 15.24 H new ATOM 0 HG21 THR A 45 19.357 -7.873 -5.835 1.00 53.01 H new ATOM 0 HG22 THR A 45 18.072 -8.844 -6.591 1.00 53.01 H new ATOM 0 HG23 THR A 45 17.790 -7.125 -6.226 1.00 53.01 H new ATOM 647 N TRP A 46 16.004 -10.173 -2.671 1.00 42.45 N ATOM 648 CA TRP A 46 15.588 -10.583 -1.335 1.00 74.13 C ATOM 649 C TRP A 46 16.778 -11.080 -0.522 1.00 41.35 C ATOM 650 O TRP A 46 17.901 -11.141 -1.023 1.00 71.35 O ATOM 651 CB TRP A 46 14.523 -11.678 -1.425 1.00 11.35 C ATOM 652 CG TRP A 46 13.590 -11.506 -2.585 1.00 42.01 C ATOM 653 CD1 TRP A 46 12.981 -10.350 -2.983 1.00 64.11 C ATOM 654 CD2 TRP A 46 13.159 -12.523 -3.496 1.00 21.12 C ATOM 655 NE1 TRP A 46 12.198 -10.588 -4.087 1.00 14.55 N ATOM 656 CE2 TRP A 46 12.290 -11.913 -4.421 1.00 42.53 C ATOM 657 CE3 TRP A 46 13.424 -13.889 -3.621 1.00 20.50 C ATOM 658 CZ2 TRP A 46 11.686 -12.623 -5.455 1.00 34.01 C ATOM 659 CZ3 TRP A 46 12.823 -14.593 -4.647 1.00 70.21 C ATOM 660 CH2 TRP A 46 11.963 -13.959 -5.554 1.00 33.44 C ATOM 0 H TRP A 46 16.500 -10.892 -3.198 1.00 42.45 H new ATOM 0 HA TRP A 46 15.165 -9.714 -0.830 1.00 74.13 H new ATOM 0 HB2 TRP A 46 15.015 -12.647 -1.504 1.00 11.35 H new ATOM 0 HB3 TRP A 46 13.944 -11.689 -0.501 1.00 11.35 H new ATOM 0 HD1 TRP A 46 13.098 -9.390 -2.501 1.00 64.11 H new ATOM 0 HE1 TRP A 46 11.639 -9.891 -4.578 1.00 14.55 H new ATOM 0 HE3 TRP A 46 14.087 -14.386 -2.928 1.00 20.50 H new ATOM 0 HZ2 TRP A 46 11.022 -12.136 -6.154 1.00 34.01 H new ATOM 0 HZ3 TRP A 46 13.019 -15.650 -4.752 1.00 70.21 H new ATOM 0 HH2 TRP A 46 11.510 -14.536 -6.346 1.00 33.44 H new ATOM 671 N ARG A 47 16.526 -11.433 0.734 1.00 55.14 N ATOM 672 CA ARG A 47 17.578 -11.923 1.616 1.00 73.24 C ATOM 673 C ARG A 47 17.225 -13.301 2.170 1.00 51.45 C ATOM 674 O ARG A 47 16.294 -13.443 2.962 1.00 15.52 O ATOM 675 CB ARG A 47 17.806 -10.942 2.767 1.00 41.02 C ATOM 676 CG ARG A 47 18.264 -9.566 2.312 1.00 15.42 C ATOM 677 CD ARG A 47 17.108 -8.577 2.279 1.00 22.43 C ATOM 678 NE ARG A 47 17.549 -7.211 2.546 1.00 41.23 N ATOM 679 CZ ARG A 47 17.805 -6.745 3.763 1.00 33.23 C ATOM 680 NH1 ARG A 47 17.664 -7.533 4.821 1.00 42.33 N ATOM 681 NH2 ARG A 47 18.202 -5.490 3.925 1.00 41.41 N ATOM 0 H ARG A 47 15.602 -11.389 1.164 1.00 55.14 H new ATOM 0 HA ARG A 47 18.495 -12.008 1.034 1.00 73.24 H new ATOM 0 HB2 ARG A 47 16.881 -10.839 3.334 1.00 41.02 H new ATOM 0 HB3 ARG A 47 18.551 -11.358 3.446 1.00 41.02 H new ATOM 0 HG2 ARG A 47 19.040 -9.199 2.984 1.00 15.42 H new ATOM 0 HG3 ARG A 47 18.710 -9.639 1.320 1.00 15.42 H new ATOM 0 HD2 ARG A 47 16.624 -8.617 1.303 1.00 22.43 H new ATOM 0 HD3 ARG A 47 16.361 -8.868 3.018 1.00 22.43 H new ATOM 0 HE ARG A 47 17.667 -6.579 1.754 1.00 41.23 H new ATOM 0 HH11 ARG A 47 17.358 -8.499 4.701 1.00 42.33 H new ATOM 0 HH12 ARG A 47 17.861 -7.173 5.755 1.00 42.33 H new ATOM 0 HH21 ARG A 47 18.311 -4.881 3.114 1.00 41.41 H new ATOM 0 HH22 ARG A 47 18.398 -5.134 4.860 1.00 41.41 H new ATOM 695 N PHE A 48 17.975 -14.313 1.746 1.00 12.33 N ATOM 696 CA PHE A 48 17.741 -15.679 2.199 1.00 75.15 C ATOM 697 C PHE A 48 18.740 -16.072 3.283 1.00 71.24 C ATOM 698 O PHE A 48 19.952 -15.999 3.081 1.00 43.33 O ATOM 699 CB PHE A 48 17.838 -16.652 1.022 1.00 65.22 C ATOM 700 CG PHE A 48 16.503 -17.106 0.506 1.00 14.14 C ATOM 701 CD1 PHE A 48 15.813 -18.129 1.137 1.00 11.34 C ATOM 702 CD2 PHE A 48 15.936 -16.509 -0.609 1.00 24.44 C ATOM 703 CE1 PHE A 48 14.584 -18.549 0.665 1.00 50.44 C ATOM 704 CE2 PHE A 48 14.707 -16.925 -1.086 1.00 4.22 C ATOM 705 CZ PHE A 48 14.030 -17.945 -0.448 1.00 30.15 C ATOM 0 H PHE A 48 18.749 -14.213 1.090 1.00 12.33 H new ATOM 0 HA PHE A 48 16.737 -15.729 2.621 1.00 75.15 H new ATOM 0 HB2 PHE A 48 18.388 -16.175 0.211 1.00 65.22 H new ATOM 0 HB3 PHE A 48 18.415 -17.524 1.329 1.00 65.22 H new ATOM 0 HD1 PHE A 48 16.241 -18.603 2.008 1.00 11.34 H new ATOM 0 HD2 PHE A 48 16.460 -15.709 -1.111 1.00 24.44 H new ATOM 0 HE1 PHE A 48 14.057 -19.348 1.165 1.00 50.44 H new ATOM 0 HE2 PHE A 48 14.277 -16.453 -1.957 1.00 4.22 H new ATOM 0 HZ PHE A 48 13.069 -18.271 -0.818 1.00 30.15 H new ATOM 715 N TYR A 49 18.222 -16.489 4.433 1.00 43.23 N ATOM 716 CA TYR A 49 19.068 -16.891 5.550 1.00 10.44 C ATOM 717 C TYR A 49 18.498 -18.120 6.251 1.00 74.34 C ATOM 718 O TYR A 49 17.334 -18.135 6.652 1.00 64.34 O ATOM 719 CB TYR A 49 19.209 -15.741 6.549 1.00 4.14 C ATOM 720 CG TYR A 49 18.026 -14.800 6.561 1.00 41.21 C ATOM 721 CD1 TYR A 49 17.983 -13.696 5.718 1.00 74.30 C ATOM 722 CD2 TYR A 49 16.951 -15.015 7.414 1.00 12.14 C ATOM 723 CE1 TYR A 49 16.904 -12.833 5.726 1.00 72.52 C ATOM 724 CE2 TYR A 49 15.867 -14.158 7.428 1.00 61.20 C ATOM 725 CZ TYR A 49 15.849 -13.069 6.582 1.00 15.33 C ATOM 726 OH TYR A 49 14.771 -12.212 6.592 1.00 24.41 O ATOM 0 H TYR A 49 17.221 -16.557 4.616 1.00 43.23 H new ATOM 0 HA TYR A 49 20.052 -17.144 5.155 1.00 10.44 H new ATOM 0 HB2 TYR A 49 19.344 -16.154 7.549 1.00 4.14 H new ATOM 0 HB3 TYR A 49 20.110 -15.175 6.314 1.00 4.14 H new ATOM 0 HD1 TYR A 49 18.807 -13.509 5.045 1.00 74.30 H new ATOM 0 HD2 TYR A 49 16.963 -15.867 8.078 1.00 12.14 H new ATOM 0 HE1 TYR A 49 16.887 -11.979 5.066 1.00 72.52 H new ATOM 0 HE2 TYR A 49 15.039 -14.340 8.097 1.00 61.20 H new ATOM 0 HH TYR A 49 14.114 -12.520 7.251 1.00 24.41 H new ATOM 736 N GLU A 50 19.327 -19.150 6.394 1.00 53.42 N ATOM 737 CA GLU A 50 18.905 -20.384 7.045 1.00 23.22 C ATOM 738 C GLU A 50 19.477 -20.477 8.457 1.00 15.43 C ATOM 739 O GLU A 50 20.565 -21.013 8.664 1.00 21.44 O ATOM 740 CB GLU A 50 19.348 -21.597 6.224 1.00 73.01 C ATOM 741 CG GLU A 50 19.122 -22.924 6.928 1.00 31.33 C ATOM 742 CD GLU A 50 19.137 -24.102 5.973 1.00 51.30 C ATOM 743 OE1 GLU A 50 18.225 -24.189 5.124 1.00 25.30 O ATOM 744 OE2 GLU A 50 20.061 -24.936 6.075 1.00 41.43 O ATOM 0 H GLU A 50 20.293 -19.154 6.068 1.00 53.42 H new ATOM 0 HA GLU A 50 17.817 -20.376 7.111 1.00 23.22 H new ATOM 0 HB2 GLU A 50 18.808 -21.601 5.277 1.00 73.01 H new ATOM 0 HB3 GLU A 50 20.407 -21.497 5.986 1.00 73.01 H new ATOM 0 HG2 GLU A 50 19.893 -23.065 7.685 1.00 31.33 H new ATOM 0 HG3 GLU A 50 18.165 -22.896 7.449 1.00 31.33 H new ATOM 751 N TYR A 51 18.735 -19.949 9.425 1.00 74.24 N ATOM 752 CA TYR A 51 19.167 -19.969 10.817 1.00 45.12 C ATOM 753 C TYR A 51 18.167 -19.241 11.709 1.00 54.11 C ATOM 754 O TYR A 51 17.103 -18.821 11.253 1.00 52.33 O ATOM 755 CB TYR A 51 20.549 -19.327 10.952 1.00 23.13 C ATOM 756 CG TYR A 51 21.632 -20.301 11.359 1.00 0.11 C ATOM 757 CD1 TYR A 51 21.581 -20.956 12.583 1.00 1.44 C ATOM 758 CD2 TYR A 51 22.706 -20.567 10.518 1.00 32.11 C ATOM 759 CE1 TYR A 51 22.569 -21.845 12.959 1.00 35.43 C ATOM 760 CE2 TYR A 51 23.697 -21.457 10.885 1.00 1.41 C ATOM 761 CZ TYR A 51 23.624 -22.093 12.107 1.00 43.23 C ATOM 762 OH TYR A 51 24.609 -22.980 12.477 1.00 42.41 O ATOM 0 H TYR A 51 17.831 -19.502 9.270 1.00 74.24 H new ATOM 0 HA TYR A 51 19.223 -21.009 11.139 1.00 45.12 H new ATOM 0 HB2 TYR A 51 20.822 -18.869 10.001 1.00 23.13 H new ATOM 0 HB3 TYR A 51 20.498 -18.525 11.689 1.00 23.13 H new ATOM 0 HD1 TYR A 51 20.755 -20.767 13.252 1.00 1.44 H new ATOM 0 HD2 TYR A 51 22.767 -20.070 9.561 1.00 32.11 H new ATOM 0 HE1 TYR A 51 22.515 -22.343 13.916 1.00 35.43 H new ATOM 0 HE2 TYR A 51 24.524 -21.654 10.219 1.00 1.41 H new ATOM 0 HH TYR A 51 25.278 -23.042 11.764 1.00 42.41 H new ATOM 772 N ILE A 52 18.516 -19.095 12.983 1.00 60.25 N ATOM 773 CA ILE A 52 17.650 -18.417 13.939 1.00 42.31 C ATOM 774 C ILE A 52 17.283 -17.019 13.452 1.00 33.05 C ATOM 775 O ILE A 52 17.790 -16.552 12.434 1.00 62.02 O ATOM 776 CB ILE A 52 18.317 -18.308 15.323 1.00 12.40 C ATOM 777 CG1 ILE A 52 19.719 -17.710 15.192 1.00 1.32 C ATOM 778 CG2 ILE A 52 18.377 -19.673 15.991 1.00 65.32 C ATOM 779 CD1 ILE A 52 20.439 -17.562 16.515 1.00 54.35 C ATOM 0 H ILE A 52 19.393 -19.437 13.377 1.00 60.25 H new ATOM 0 HA ILE A 52 16.745 -19.018 14.027 1.00 42.31 H new ATOM 0 HB ILE A 52 17.718 -17.646 15.948 1.00 12.40 H new ATOM 0 HG12 ILE A 52 20.314 -18.341 14.532 1.00 1.32 H new ATOM 0 HG13 ILE A 52 19.645 -16.732 14.716 1.00 1.32 H new ATOM 0 HG21 ILE A 52 18.851 -19.579 16.968 1.00 65.32 H new ATOM 0 HG22 ILE A 52 17.366 -20.063 16.114 1.00 65.32 H new ATOM 0 HG23 ILE A 52 18.957 -20.357 15.371 1.00 65.32 H new ATOM 0 HD11 ILE A 52 21.426 -17.132 16.346 1.00 54.35 H new ATOM 0 HD12 ILE A 52 19.865 -16.907 17.170 1.00 54.35 H new ATOM 0 HD13 ILE A 52 20.545 -18.541 16.983 1.00 54.35 H new ATOM 791 N ASN A 53 16.398 -16.355 14.190 1.00 71.54 N ATOM 792 CA ASN A 53 15.963 -15.010 13.834 1.00 11.41 C ATOM 793 C ASN A 53 16.957 -13.966 14.336 1.00 33.41 C ATOM 794 O ASN A 53 16.684 -12.766 14.301 1.00 35.44 O ATOM 795 CB ASN A 53 14.575 -14.729 14.415 1.00 64.51 C ATOM 796 CG ASN A 53 13.465 -15.012 13.421 1.00 0.33 C ATOM 797 OD1 ASN A 53 13.494 -16.016 12.710 1.00 51.11 O ATOM 798 ND2 ASN A 53 12.479 -14.124 13.368 1.00 10.34 N ATOM 0 H ASN A 53 15.969 -16.727 15.037 1.00 71.54 H new ATOM 0 HA ASN A 53 15.914 -14.947 12.747 1.00 11.41 H new ATOM 0 HB2 ASN A 53 14.426 -15.340 15.305 1.00 64.51 H new ATOM 0 HB3 ASN A 53 14.520 -13.687 14.730 1.00 64.51 H new ATOM 0 HD21 ASN A 53 11.704 -14.260 12.719 1.00 10.34 H new ATOM 0 HD22 ASN A 53 12.496 -13.306 13.977 1.00 10.34 H new ATOM 805 N TYR A 54 18.110 -14.432 14.802 1.00 62.34 N ATOM 806 CA TYR A 54 19.144 -13.540 15.312 1.00 24.44 C ATOM 807 C TYR A 54 20.535 -14.067 14.972 1.00 21.40 C ATOM 808 O TYR A 54 21.296 -14.461 15.855 1.00 35.52 O ATOM 809 CB TYR A 54 19.005 -13.378 16.827 1.00 71.21 C ATOM 810 CG TYR A 54 17.596 -13.592 17.332 1.00 53.35 C ATOM 811 CD1 TYR A 54 17.129 -14.866 17.628 1.00 73.52 C ATOM 812 CD2 TYR A 54 16.731 -12.519 17.511 1.00 32.31 C ATOM 813 CE1 TYR A 54 15.842 -15.067 18.088 1.00 13.45 C ATOM 814 CE2 TYR A 54 15.443 -12.710 17.973 1.00 51.14 C ATOM 815 CZ TYR A 54 15.003 -13.985 18.260 1.00 71.23 C ATOM 816 OH TYR A 54 13.720 -14.179 18.718 1.00 21.33 O ATOM 0 H TYR A 54 18.352 -15.422 14.837 1.00 62.34 H new ATOM 0 HA TYR A 54 19.017 -12.568 14.835 1.00 24.44 H new ATOM 0 HB2 TYR A 54 19.671 -14.085 17.322 1.00 71.21 H new ATOM 0 HB3 TYR A 54 19.335 -12.378 17.109 1.00 71.21 H new ATOM 0 HD1 TYR A 54 17.784 -15.715 17.496 1.00 73.52 H new ATOM 0 HD2 TYR A 54 17.071 -11.519 17.285 1.00 32.31 H new ATOM 0 HE1 TYR A 54 15.495 -16.065 18.312 1.00 13.45 H new ATOM 0 HE2 TYR A 54 14.784 -11.865 18.109 1.00 51.14 H new ATOM 0 HH TYR A 54 13.262 -13.315 18.784 1.00 21.33 H new ATOM 826 N GLY A 55 20.861 -14.070 13.683 1.00 73.42 N ATOM 827 CA GLY A 55 22.159 -14.550 13.247 1.00 60.13 C ATOM 828 C GLY A 55 22.057 -15.780 12.366 1.00 0.32 C ATOM 829 O GLY A 55 21.520 -16.806 12.781 1.00 54.23 O ATOM 0 H GLY A 55 20.249 -13.748 12.933 1.00 73.42 H new ATOM 0 HA2 GLY A 55 22.671 -13.758 12.701 1.00 60.13 H new ATOM 0 HA3 GLY A 55 22.769 -14.782 14.120 1.00 60.13 H new ATOM 833 N GLY A 56 22.573 -15.676 11.145 1.00 25.22 N ATOM 834 CA GLY A 56 22.526 -16.795 10.222 1.00 21.25 C ATOM 835 C GLY A 56 23.223 -16.494 8.910 1.00 32.52 C ATOM 836 O GLY A 56 23.663 -15.369 8.677 1.00 13.51 O ATOM 0 H GLY A 56 23.023 -14.837 10.779 1.00 25.22 H new ATOM 0 HA2 GLY A 56 22.992 -17.665 10.686 1.00 21.25 H new ATOM 0 HA3 GLY A 56 21.486 -17.057 10.026 1.00 21.25 H new ATOM 840 N ARG A 57 23.325 -17.504 8.052 1.00 41.45 N ATOM 841 CA ARG A 57 23.976 -17.342 6.757 1.00 21.30 C ATOM 842 C ARG A 57 23.204 -16.363 5.878 1.00 13.54 C ATOM 843 O ARG A 57 22.240 -16.739 5.210 1.00 4.41 O ATOM 844 CB ARG A 57 24.095 -18.694 6.050 1.00 53.40 C ATOM 845 CG ARG A 57 24.564 -18.588 4.608 1.00 11.52 C ATOM 846 CD ARG A 57 23.500 -19.077 3.639 1.00 73.54 C ATOM 847 NE ARG A 57 23.234 -20.505 3.793 1.00 30.22 N ATOM 848 CZ ARG A 57 22.118 -21.094 3.377 1.00 25.32 C ATOM 849 NH1 ARG A 57 21.170 -20.382 2.784 1.00 23.30 N ATOM 850 NH2 ARG A 57 21.950 -22.399 3.554 1.00 40.42 N ATOM 0 H ARG A 57 22.966 -18.442 8.230 1.00 41.45 H new ATOM 0 HA ARG A 57 24.974 -16.939 6.929 1.00 21.30 H new ATOM 0 HB2 ARG A 57 24.791 -19.324 6.604 1.00 53.40 H new ATOM 0 HB3 ARG A 57 23.126 -19.193 6.072 1.00 53.40 H new ATOM 0 HG2 ARG A 57 24.816 -17.552 4.381 1.00 11.52 H new ATOM 0 HG3 ARG A 57 25.474 -19.173 4.476 1.00 11.52 H new ATOM 0 HD2 ARG A 57 22.579 -18.517 3.800 1.00 73.54 H new ATOM 0 HD3 ARG A 57 23.821 -18.876 2.617 1.00 73.54 H new ATOM 0 HE ARG A 57 23.944 -21.082 4.245 1.00 30.22 H new ATOM 0 HH11 ARG A 57 21.296 -19.379 2.646 1.00 23.30 H new ATOM 0 HH12 ARG A 57 20.314 -20.837 2.466 1.00 23.30 H new ATOM 0 HH21 ARG A 57 22.678 -22.950 4.009 1.00 40.42 H new ATOM 0 HH22 ARG A 57 21.093 -22.851 3.235 1.00 40.42 H new ATOM 864 N TYR A 58 23.632 -15.105 5.885 1.00 25.42 N ATOM 865 CA TYR A 58 22.980 -14.071 5.092 1.00 52.15 C ATOM 866 C TYR A 58 23.361 -14.192 3.619 1.00 21.03 C ATOM 867 O TYR A 58 24.509 -13.956 3.243 1.00 61.23 O ATOM 868 CB TYR A 58 23.356 -12.684 5.615 1.00 51.31 C ATOM 869 CG TYR A 58 23.074 -11.569 4.633 1.00 64.23 C ATOM 870 CD1 TYR A 58 21.874 -11.517 3.936 1.00 35.10 C ATOM 871 CD2 TYR A 58 24.009 -10.567 4.402 1.00 24.42 C ATOM 872 CE1 TYR A 58 21.613 -10.501 3.037 1.00 33.02 C ATOM 873 CE2 TYR A 58 23.757 -9.547 3.506 1.00 15.33 C ATOM 874 CZ TYR A 58 22.557 -9.518 2.826 1.00 60.10 C ATOM 875 OH TYR A 58 22.300 -8.504 1.932 1.00 3.55 O ATOM 0 H TYR A 58 24.428 -14.777 6.432 1.00 25.42 H new ATOM 0 HA TYR A 58 21.902 -14.206 5.182 1.00 52.15 H new ATOM 0 HB2 TYR A 58 22.808 -12.492 6.537 1.00 51.31 H new ATOM 0 HB3 TYR A 58 24.416 -12.675 5.867 1.00 51.31 H new ATOM 0 HD1 TYR A 58 21.132 -12.284 4.100 1.00 35.10 H new ATOM 0 HD2 TYR A 58 24.949 -10.586 4.933 1.00 24.42 H new ATOM 0 HE1 TYR A 58 20.675 -10.477 2.502 1.00 33.02 H new ATOM 0 HE2 TYR A 58 24.495 -8.776 3.339 1.00 15.33 H new ATOM 0 HH TYR A 58 22.590 -8.776 1.036 1.00 3.55 H new ATOM 885 N TRP A 59 22.390 -14.560 2.792 1.00 34.41 N ATOM 886 CA TRP A 59 22.622 -14.713 1.360 1.00 0.42 C ATOM 887 C TRP A 59 21.461 -14.139 0.556 1.00 14.33 C ATOM 888 O TRP A 59 20.384 -14.733 0.492 1.00 24.12 O ATOM 889 CB TRP A 59 22.822 -16.188 1.009 1.00 12.21 C ATOM 890 CG TRP A 59 22.452 -16.517 -0.405 1.00 73.15 C ATOM 891 CD1 TRP A 59 23.067 -16.068 -1.539 1.00 72.32 C ATOM 892 CD2 TRP A 59 21.381 -17.364 -0.836 1.00 54.01 C ATOM 893 NE1 TRP A 59 22.443 -16.585 -2.649 1.00 35.32 N ATOM 894 CE2 TRP A 59 21.406 -17.384 -2.244 1.00 53.14 C ATOM 895 CE3 TRP A 59 20.404 -18.109 -0.169 1.00 43.04 C ATOM 896 CZ2 TRP A 59 20.491 -18.118 -2.994 1.00 63.55 C ATOM 897 CZ3 TRP A 59 19.497 -18.837 -0.915 1.00 63.33 C ATOM 898 CH2 TRP A 59 19.546 -18.839 -2.316 1.00 2.43 C ATOM 0 H TRP A 59 21.434 -14.758 3.088 1.00 34.41 H new ATOM 0 HA TRP A 59 23.526 -14.160 1.103 1.00 0.42 H new ATOM 0 HB2 TRP A 59 23.865 -16.456 1.176 1.00 12.21 H new ATOM 0 HB3 TRP A 59 22.224 -16.799 1.685 1.00 12.21 H new ATOM 0 HD1 TRP A 59 23.919 -15.404 -1.560 1.00 72.32 H new ATOM 0 HE1 TRP A 59 22.709 -16.403 -3.617 1.00 35.32 H new ATOM 0 HE3 TRP A 59 20.359 -18.115 0.910 1.00 43.04 H new ATOM 0 HZ2 TRP A 59 20.526 -18.118 -4.073 1.00 63.55 H new ATOM 0 HZ3 TRP A 59 18.737 -19.415 -0.410 1.00 63.33 H new ATOM 0 HH2 TRP A 59 18.824 -19.420 -2.871 1.00 2.43 H new ATOM 909 N ASP A 60 21.685 -12.981 -0.055 1.00 61.15 N ATOM 910 CA ASP A 60 20.657 -12.328 -0.857 1.00 12.31 C ATOM 911 C ASP A 60 20.741 -12.770 -2.315 1.00 4.55 C ATOM 912 O ASP A 60 21.831 -12.876 -2.880 1.00 34.42 O ATOM 913 CB ASP A 60 20.796 -10.807 -0.763 1.00 21.51 C ATOM 914 CG ASP A 60 22.228 -10.345 -0.950 1.00 55.43 C ATOM 915 OD1 ASP A 60 23.027 -10.492 -0.003 1.00 22.31 O ATOM 916 OD2 ASP A 60 22.548 -9.834 -2.044 1.00 51.22 O ATOM 0 H ASP A 60 22.570 -12.475 -0.010 1.00 61.15 H new ATOM 0 HA ASP A 60 19.684 -12.621 -0.463 1.00 12.31 H new ATOM 0 HB2 ASP A 60 20.165 -10.340 -1.519 1.00 21.51 H new ATOM 0 HB3 ASP A 60 20.432 -10.471 0.208 1.00 21.51 H new ATOM 921 N LEU A 61 19.586 -13.026 -2.918 1.00 31.15 N ATOM 922 CA LEU A 61 19.529 -13.458 -4.310 1.00 13.31 C ATOM 923 C LEU A 61 19.064 -12.320 -5.214 1.00 21.41 C ATOM 924 O LEU A 61 18.193 -11.535 -4.843 1.00 34.30 O ATOM 925 CB LEU A 61 18.589 -14.656 -4.455 1.00 11.03 C ATOM 926 CG LEU A 61 17.108 -14.328 -4.647 1.00 52.01 C ATOM 927 CD1 LEU A 61 16.768 -14.241 -6.127 1.00 22.20 C ATOM 928 CD2 LEU A 61 16.237 -15.369 -3.958 1.00 42.23 C ATOM 0 H LEU A 61 18.676 -12.942 -2.465 1.00 31.15 H new ATOM 0 HA LEU A 61 20.533 -13.753 -4.615 1.00 13.31 H new ATOM 0 HB2 LEU A 61 18.921 -15.252 -5.305 1.00 11.03 H new ATOM 0 HB3 LEU A 61 18.690 -15.281 -3.568 1.00 11.03 H new ATOM 0 HG LEU A 61 16.909 -13.358 -4.192 1.00 52.01 H new ATOM 0 HD11 LEU A 61 15.710 -14.007 -6.244 1.00 22.20 H new ATOM 0 HD12 LEU A 61 17.367 -13.458 -6.592 1.00 22.20 H new ATOM 0 HD13 LEU A 61 16.984 -15.196 -6.607 1.00 22.20 H new ATOM 0 HD21 LEU A 61 15.186 -15.119 -4.105 1.00 42.23 H new ATOM 0 HD22 LEU A 61 16.439 -16.352 -4.383 1.00 42.23 H new ATOM 0 HD23 LEU A 61 16.461 -15.382 -2.891 1.00 42.23 H new ATOM 940 N GLY A 62 19.651 -12.239 -6.404 1.00 64.51 N ATOM 941 CA GLY A 62 19.283 -11.197 -7.344 1.00 3.54 C ATOM 942 C GLY A 62 18.612 -11.746 -8.586 1.00 71.35 C ATOM 943 O GLY A 62 18.235 -12.917 -8.648 1.00 45.14 O ATOM 0 H GLY A 62 20.375 -12.877 -6.734 1.00 64.51 H new ATOM 0 HA2 GLY A 62 18.612 -10.491 -6.854 1.00 3.54 H new ATOM 0 HA3 GLY A 62 20.175 -10.641 -7.633 1.00 3.54 H new ATOM 947 N PRO A 63 18.452 -10.889 -9.606 1.00 32.24 N ATOM 948 CA PRO A 63 17.819 -11.273 -10.871 1.00 64.31 C ATOM 949 C PRO A 63 18.356 -12.595 -11.409 1.00 74.34 C ATOM 950 O PRO A 63 19.501 -12.678 -11.851 1.00 71.10 O ATOM 951 CB PRO A 63 18.186 -10.124 -11.814 1.00 35.23 C ATOM 952 CG PRO A 63 18.397 -8.953 -10.918 1.00 44.53 C ATOM 953 CD PRO A 63 18.876 -9.479 -9.601 1.00 64.23 C ATOM 0 HA PRO A 63 16.745 -11.426 -10.760 1.00 64.31 H new ATOM 0 HB2 PRO A 63 19.086 -10.353 -12.386 1.00 35.23 H new ATOM 0 HB3 PRO A 63 17.391 -9.933 -12.534 1.00 35.23 H new ATOM 0 HG2 PRO A 63 19.128 -8.268 -11.347 1.00 44.53 H new ATOM 0 HG3 PRO A 63 17.470 -8.393 -10.794 1.00 44.53 H new ATOM 0 HD2 PRO A 63 19.958 -9.388 -9.504 1.00 64.23 H new ATOM 0 HD3 PRO A 63 18.434 -8.932 -8.768 1.00 64.23 H new ATOM 961 N GLY A 64 17.519 -13.628 -11.370 1.00 22.32 N ATOM 962 CA GLY A 64 17.928 -14.933 -11.857 1.00 52.31 C ATOM 963 C GLY A 64 17.132 -16.061 -11.232 1.00 13.24 C ATOM 964 O GLY A 64 16.547 -15.897 -10.161 1.00 44.32 O ATOM 0 H GLY A 64 16.566 -13.584 -11.010 1.00 22.32 H new ATOM 0 HA2 GLY A 64 17.810 -14.966 -12.940 1.00 52.31 H new ATOM 0 HA3 GLY A 64 18.987 -15.080 -11.647 1.00 52.31 H new ATOM 968 N GLU A 65 17.107 -17.209 -11.902 1.00 2.50 N ATOM 969 CA GLU A 65 16.374 -18.367 -11.405 1.00 40.04 C ATOM 970 C GLU A 65 17.305 -19.562 -11.220 1.00 2.43 C ATOM 971 O GLU A 65 18.236 -19.764 -12.000 1.00 31.21 O ATOM 972 CB GLU A 65 15.242 -18.733 -12.368 1.00 24.30 C ATOM 973 CG GLU A 65 14.550 -20.041 -12.023 1.00 54.14 C ATOM 974 CD GLU A 65 15.036 -21.200 -12.871 1.00 61.05 C ATOM 975 OE1 GLU A 65 16.231 -21.211 -13.232 1.00 63.25 O ATOM 976 OE2 GLU A 65 14.221 -22.096 -13.174 1.00 35.42 O ATOM 0 H GLU A 65 17.586 -17.362 -12.790 1.00 2.50 H new ATOM 0 HA GLU A 65 15.948 -18.107 -10.436 1.00 40.04 H new ATOM 0 HB2 GLU A 65 14.504 -17.931 -12.370 1.00 24.30 H new ATOM 0 HB3 GLU A 65 15.643 -18.800 -13.379 1.00 24.30 H new ATOM 0 HG2 GLU A 65 14.718 -20.270 -10.971 1.00 54.14 H new ATOM 0 HG3 GLU A 65 13.474 -19.925 -12.156 1.00 54.14 H new ATOM 983 N TYR A 66 17.048 -20.349 -10.181 1.00 52.22 N ATOM 984 CA TYR A 66 17.864 -21.522 -9.890 1.00 52.43 C ATOM 985 C TYR A 66 17.028 -22.618 -9.238 1.00 21.44 C ATOM 986 O TYR A 66 15.956 -22.356 -8.692 1.00 25.23 O ATOM 987 CB TYR A 66 19.031 -21.143 -8.977 1.00 42.23 C ATOM 988 CG TYR A 66 18.692 -21.200 -7.505 1.00 53.10 C ATOM 989 CD1 TYR A 66 18.851 -22.375 -6.780 1.00 43.25 C ATOM 990 CD2 TYR A 66 18.210 -20.080 -6.839 1.00 5.22 C ATOM 991 CE1 TYR A 66 18.542 -22.432 -5.435 1.00 72.13 C ATOM 992 CE2 TYR A 66 17.900 -20.127 -5.494 1.00 32.54 C ATOM 993 CZ TYR A 66 18.067 -21.306 -4.796 1.00 51.23 C ATOM 994 OH TYR A 66 17.757 -21.358 -3.457 1.00 3.35 O ATOM 0 H TYR A 66 16.281 -20.196 -9.526 1.00 52.22 H new ATOM 0 HA TYR A 66 18.258 -21.903 -10.832 1.00 52.43 H new ATOM 0 HB2 TYR A 66 19.868 -21.813 -9.175 1.00 42.23 H new ATOM 0 HB3 TYR A 66 19.363 -20.135 -9.226 1.00 42.23 H new ATOM 0 HD1 TYR A 66 19.223 -23.259 -7.277 1.00 43.25 H new ATOM 0 HD2 TYR A 66 18.075 -19.157 -7.383 1.00 5.22 H new ATOM 0 HE1 TYR A 66 18.672 -23.353 -4.887 1.00 72.13 H new ATOM 0 HE2 TYR A 66 17.529 -19.246 -4.991 1.00 32.54 H new ATOM 0 HH TYR A 66 18.329 -22.019 -3.014 1.00 3.35 H new ATOM 1004 N SER A 67 17.528 -23.849 -9.298 1.00 14.21 N ATOM 1005 CA SER A 67 16.827 -24.988 -8.716 1.00 11.51 C ATOM 1006 C SER A 67 17.808 -25.944 -8.046 1.00 22.43 C ATOM 1007 O SER A 67 18.151 -26.989 -8.600 1.00 51.42 O ATOM 1008 CB SER A 67 16.030 -25.727 -9.792 1.00 61.32 C ATOM 1009 OG SER A 67 16.891 -26.298 -10.763 1.00 1.35 O ATOM 0 H SER A 67 18.415 -24.083 -9.744 1.00 14.21 H new ATOM 0 HA SER A 67 16.139 -24.612 -7.959 1.00 11.51 H new ATOM 0 HB2 SER A 67 15.428 -26.510 -9.330 1.00 61.32 H new ATOM 0 HB3 SER A 67 15.339 -25.037 -10.275 1.00 61.32 H new ATOM 0 HG SER A 67 17.650 -26.728 -10.315 1.00 1.35 H new ATOM 1015 N SER A 68 18.257 -25.580 -6.849 1.00 14.32 N ATOM 1016 CA SER A 68 19.202 -26.403 -6.103 1.00 54.22 C ATOM 1017 C SER A 68 18.470 -27.452 -5.272 1.00 31.12 C ATOM 1018 O SER A 68 17.319 -27.259 -4.880 1.00 1.41 O ATOM 1019 CB SER A 68 20.066 -25.527 -5.194 1.00 22.40 C ATOM 1020 OG SER A 68 20.653 -24.461 -5.920 1.00 62.53 O ATOM 0 H SER A 68 17.981 -24.720 -6.375 1.00 14.32 H new ATOM 0 HA SER A 68 19.844 -26.916 -6.819 1.00 54.22 H new ATOM 0 HB2 SER A 68 19.457 -25.127 -4.383 1.00 22.40 H new ATOM 0 HB3 SER A 68 20.848 -26.133 -4.736 1.00 22.40 H new ATOM 0 HG SER A 68 20.159 -23.633 -5.742 1.00 62.53 H new ATOM 1026 N VAL A 69 19.147 -28.565 -5.006 1.00 73.03 N ATOM 1027 CA VAL A 69 18.563 -29.646 -4.221 1.00 0.22 C ATOM 1028 C VAL A 69 19.643 -30.458 -3.516 1.00 24.13 C ATOM 1029 O VAL A 69 19.436 -31.623 -3.178 1.00 62.24 O ATOM 1030 CB VAL A 69 17.720 -30.588 -5.101 1.00 44.32 C ATOM 1031 CG1 VAL A 69 16.394 -29.936 -5.463 1.00 63.42 C ATOM 1032 CG2 VAL A 69 18.491 -30.978 -6.353 1.00 45.11 C ATOM 0 H VAL A 69 20.100 -28.741 -5.323 1.00 73.03 H new ATOM 0 HA VAL A 69 17.916 -29.182 -3.476 1.00 0.22 H new ATOM 0 HB VAL A 69 17.509 -31.495 -4.534 1.00 44.32 H new ATOM 0 HG11 VAL A 69 15.812 -30.616 -6.085 1.00 63.42 H new ATOM 0 HG12 VAL A 69 15.838 -29.711 -4.553 1.00 63.42 H new ATOM 0 HG13 VAL A 69 16.580 -29.013 -6.011 1.00 63.42 H new ATOM 0 HG21 VAL A 69 17.881 -31.644 -6.963 1.00 45.11 H new ATOM 0 HG22 VAL A 69 18.734 -30.082 -6.925 1.00 45.11 H new ATOM 0 HG23 VAL A 69 19.412 -31.488 -6.069 1.00 45.11 H new ATOM 1042 N GLU A 70 20.797 -29.834 -3.296 1.00 35.22 N ATOM 1043 CA GLU A 70 21.910 -30.500 -2.631 1.00 30.54 C ATOM 1044 C GLU A 70 23.104 -29.560 -2.495 1.00 21.02 C ATOM 1045 O GLU A 70 24.252 -29.968 -2.671 1.00 1.22 O ATOM 1046 CB GLU A 70 22.320 -31.754 -3.406 1.00 31.31 C ATOM 1047 CG GLU A 70 22.471 -31.524 -4.900 1.00 51.31 C ATOM 1048 CD GLU A 70 23.437 -32.497 -5.546 1.00 25.41 C ATOM 1049 OE1 GLU A 70 24.627 -32.493 -5.165 1.00 12.45 O ATOM 1050 OE2 GLU A 70 23.005 -33.264 -6.432 1.00 43.51 O ATOM 0 H GLU A 70 20.984 -28.869 -3.569 1.00 35.22 H new ATOM 0 HA GLU A 70 21.582 -30.790 -1.633 1.00 30.54 H new ATOM 0 HB2 GLU A 70 23.264 -32.125 -3.007 1.00 31.31 H new ATOM 0 HB3 GLU A 70 21.576 -32.533 -3.240 1.00 31.31 H new ATOM 0 HG2 GLU A 70 21.496 -31.615 -5.378 1.00 51.31 H new ATOM 0 HG3 GLU A 70 22.817 -30.505 -5.074 1.00 51.31 H new ATOM 1057 N SER A 71 22.824 -28.299 -2.181 1.00 61.12 N ATOM 1058 CA SER A 71 23.874 -27.299 -2.026 1.00 52.21 C ATOM 1059 C SER A 71 23.392 -26.134 -1.166 1.00 74.25 C ATOM 1060 O SER A 71 24.133 -25.615 -0.333 1.00 23.00 O ATOM 1061 CB SER A 71 24.324 -26.785 -3.395 1.00 2.11 C ATOM 1062 OG SER A 71 25.585 -27.323 -3.752 1.00 24.30 O ATOM 0 H SER A 71 21.879 -27.946 -2.029 1.00 61.12 H new ATOM 0 HA SER A 71 24.720 -27.771 -1.527 1.00 52.21 H new ATOM 0 HB2 SER A 71 23.584 -27.053 -4.149 1.00 2.11 H new ATOM 0 HB3 SER A 71 24.381 -25.697 -3.378 1.00 2.11 H new ATOM 0 HG SER A 71 25.602 -28.281 -3.547 1.00 24.30 H new ATOM 1068 N ALA A 72 22.143 -25.729 -1.376 1.00 63.33 N ATOM 1069 CA ALA A 72 21.560 -24.628 -0.620 1.00 42.13 C ATOM 1070 C ALA A 72 21.763 -24.823 0.878 1.00 12.15 C ATOM 1071 O ALA A 72 22.609 -24.172 1.490 1.00 20.32 O ATOM 1072 CB ALA A 72 20.079 -24.493 -0.942 1.00 21.05 C ATOM 0 H ALA A 72 21.516 -26.147 -2.063 1.00 63.33 H new ATOM 0 HA ALA A 72 22.069 -23.709 -0.912 1.00 42.13 H new ATOM 0 HB1 ALA A 72 19.656 -23.667 -0.370 1.00 21.05 H new ATOM 0 HB2 ALA A 72 19.955 -24.298 -2.007 1.00 21.05 H new ATOM 0 HB3 ALA A 72 19.564 -25.417 -0.679 1.00 21.05 H new ATOM 1078 N GLY A 73 20.979 -25.723 1.465 1.00 64.21 N ATOM 1079 CA GLY A 73 21.088 -25.987 2.888 1.00 44.32 C ATOM 1080 C GLY A 73 20.372 -27.258 3.299 1.00 51.25 C ATOM 1081 O GLY A 73 19.188 -27.229 3.635 1.00 33.40 O ATOM 0 H GLY A 73 20.270 -26.274 0.980 1.00 64.21 H new ATOM 0 HA2 GLY A 73 22.141 -26.062 3.161 1.00 44.32 H new ATOM 0 HA3 GLY A 73 20.674 -25.145 3.443 1.00 44.32 H new ATOM 1085 N ILE A 74 21.090 -28.375 3.270 1.00 71.42 N ATOM 1086 CA ILE A 74 20.515 -29.662 3.642 1.00 74.15 C ATOM 1087 C ILE A 74 21.446 -30.433 4.570 1.00 25.22 C ATOM 1088 O ILE A 74 21.994 -31.477 4.214 1.00 34.14 O ATOM 1089 CB ILE A 74 20.215 -30.524 2.401 1.00 25.51 C ATOM 1090 CG1 ILE A 74 21.267 -30.280 1.317 1.00 1.40 C ATOM 1091 CG2 ILE A 74 18.821 -30.225 1.871 1.00 1.24 C ATOM 1092 CD1 ILE A 74 20.930 -29.127 0.398 1.00 41.52 C ATOM 0 H ILE A 74 22.071 -28.415 2.993 1.00 71.42 H new ATOM 0 HA ILE A 74 19.581 -29.451 4.163 1.00 74.15 H new ATOM 0 HB ILE A 74 20.254 -31.574 2.689 1.00 25.51 H new ATOM 0 HG12 ILE A 74 22.229 -30.086 1.792 1.00 1.40 H new ATOM 0 HG13 ILE A 74 21.382 -31.186 0.723 1.00 1.40 H new ATOM 0 HG21 ILE A 74 18.625 -30.842 0.994 1.00 1.24 H new ATOM 0 HG22 ILE A 74 18.083 -30.446 2.643 1.00 1.24 H new ATOM 0 HG23 ILE A 74 18.754 -29.172 1.596 1.00 1.24 H new ATOM 0 HD11 ILE A 74 21.719 -29.012 -0.345 1.00 41.52 H new ATOM 0 HD12 ILE A 74 19.984 -29.327 -0.105 1.00 41.52 H new ATOM 0 HD13 ILE A 74 20.844 -28.210 0.981 1.00 41.52 H new ATOM 1104 N PRO A 75 21.631 -29.909 5.791 1.00 23.41 N ATOM 1105 CA PRO A 75 22.495 -30.534 6.798 1.00 41.43 C ATOM 1106 C PRO A 75 21.803 -31.682 7.523 1.00 21.43 C ATOM 1107 O PRO A 75 22.335 -32.790 7.601 1.00 10.03 O ATOM 1108 CB PRO A 75 22.792 -29.389 7.770 1.00 52.35 C ATOM 1109 CG PRO A 75 21.647 -28.449 7.608 1.00 4.41 C ATOM 1110 CD PRO A 75 21.011 -28.668 6.283 1.00 11.11 C ATOM 0 HA PRO A 75 23.387 -30.976 6.353 1.00 41.43 H new ATOM 0 HB2 PRO A 75 22.866 -29.750 8.796 1.00 52.35 H new ATOM 0 HB3 PRO A 75 23.739 -28.904 7.533 1.00 52.35 H new ATOM 0 HG2 PRO A 75 20.918 -28.606 8.404 1.00 4.41 H new ATOM 0 HG3 PRO A 75 21.993 -27.419 7.691 1.00 4.41 H new ATOM 0 HD2 PRO A 75 19.929 -28.770 6.371 1.00 11.11 H new ATOM 0 HD3 PRO A 75 21.198 -27.833 5.608 1.00 11.11 H new ATOM 1118 N ASP A 76 20.615 -31.412 8.052 1.00 10.33 N ATOM 1119 CA ASP A 76 19.849 -32.424 8.771 1.00 42.25 C ATOM 1120 C ASP A 76 18.530 -31.849 9.276 1.00 35.41 C ATOM 1121 O ASP A 76 17.464 -32.418 9.042 1.00 51.43 O ATOM 1122 CB ASP A 76 20.663 -32.973 9.943 1.00 23.01 C ATOM 1123 CG ASP A 76 21.080 -34.416 9.733 1.00 11.53 C ATOM 1124 OD1 ASP A 76 20.191 -35.292 9.710 1.00 51.02 O ATOM 1125 OD2 ASP A 76 22.295 -34.668 9.594 1.00 61.25 O ATOM 0 H ASP A 76 20.161 -30.500 7.997 1.00 10.33 H new ATOM 0 HA ASP A 76 19.629 -33.237 8.080 1.00 42.25 H new ATOM 0 HB2 ASP A 76 21.552 -32.358 10.084 1.00 23.01 H new ATOM 0 HB3 ASP A 76 20.075 -32.897 10.857 1.00 23.01 H new ATOM 1130 N ASN A 77 18.610 -30.720 9.972 1.00 55.21 N ATOM 1131 CA ASN A 77 17.421 -30.069 10.512 1.00 24.34 C ATOM 1132 C ASN A 77 17.774 -28.720 11.131 1.00 52.34 C ATOM 1133 O ASN A 77 18.700 -28.617 11.934 1.00 2.54 O ATOM 1134 CB ASN A 77 16.756 -30.965 11.560 1.00 42.51 C ATOM 1135 CG ASN A 77 17.766 -31.654 12.456 1.00 24.15 C ATOM 1136 OD1 ASN A 77 17.549 -32.938 12.715 1.00 20.13 O flip ATOM 1137 ND2 ASN A 77 18.731 -31.039 12.911 1.00 74.44 N flip ATOM 0 H ASN A 77 19.485 -30.237 10.176 1.00 55.21 H new ATOM 0 HA ASN A 77 16.724 -29.901 9.691 1.00 24.34 H new ATOM 0 HB2 ASN A 77 16.082 -30.365 12.171 1.00 42.51 H new ATOM 0 HB3 ASN A 77 16.147 -31.717 11.058 1.00 42.51 H new ATOM 0 HD21 ASN A 77 18.859 -30.052 12.686 1.00 74.44 H new ATOM 0 HD22 ASN A 77 19.402 -31.516 13.513 1.00 74.44 H new ATOM 1144 N SER A 78 17.028 -27.688 10.750 1.00 53.32 N ATOM 1145 CA SER A 78 17.263 -26.344 11.264 1.00 52.51 C ATOM 1146 C SER A 78 16.170 -25.385 10.800 1.00 71.52 C ATOM 1147 O SER A 78 15.260 -25.773 10.067 1.00 73.42 O ATOM 1148 CB SER A 78 18.631 -25.833 10.809 1.00 43.21 C ATOM 1149 OG SER A 78 19.357 -25.282 11.894 1.00 13.24 O ATOM 0 H SER A 78 16.256 -27.757 10.087 1.00 53.32 H new ATOM 0 HA SER A 78 17.243 -26.390 12.353 1.00 52.51 H new ATOM 0 HB2 SER A 78 19.199 -26.651 10.366 1.00 43.21 H new ATOM 0 HB3 SER A 78 18.501 -25.078 10.034 1.00 43.21 H new ATOM 0 HG SER A 78 20.228 -24.964 11.577 1.00 13.24 H new ATOM 1155 N ILE A 79 16.267 -24.133 11.232 1.00 2.14 N ATOM 1156 CA ILE A 79 15.288 -23.119 10.861 1.00 3.20 C ATOM 1157 C ILE A 79 15.814 -22.233 9.736 1.00 31.15 C ATOM 1158 O ILE A 79 17.023 -22.089 9.560 1.00 5.41 O ATOM 1159 CB ILE A 79 14.911 -22.233 12.063 1.00 24.23 C ATOM 1160 CG1 ILE A 79 14.669 -23.096 13.304 1.00 51.33 C ATOM 1161 CG2 ILE A 79 13.680 -21.400 11.742 1.00 53.01 C ATOM 1162 CD1 ILE A 79 13.599 -24.147 13.109 1.00 61.22 C ATOM 0 H ILE A 79 17.014 -23.796 11.840 1.00 2.14 H new ATOM 0 HA ILE A 79 14.399 -23.649 10.518 1.00 3.20 H new ATOM 0 HB ILE A 79 15.739 -21.555 12.270 1.00 24.23 H new ATOM 0 HG12 ILE A 79 15.602 -23.586 13.583 1.00 51.33 H new ATOM 0 HG13 ILE A 79 14.386 -22.451 14.136 1.00 51.33 H new ATOM 0 HG21 ILE A 79 13.426 -20.779 12.601 1.00 53.01 H new ATOM 0 HG22 ILE A 79 13.886 -20.763 10.882 1.00 53.01 H new ATOM 0 HG23 ILE A 79 12.844 -22.060 11.512 1.00 53.01 H new ATOM 0 HD11 ILE A 79 13.481 -24.721 14.028 1.00 61.22 H new ATOM 0 HD12 ILE A 79 12.655 -23.663 12.859 1.00 61.22 H new ATOM 0 HD13 ILE A 79 13.889 -24.816 12.299 1.00 61.22 H new ATOM 1174 N SER A 80 14.896 -21.641 8.979 1.00 2.41 N ATOM 1175 CA SER A 80 15.267 -20.770 7.870 1.00 52.22 C ATOM 1176 C SER A 80 14.148 -19.780 7.559 1.00 71.33 C ATOM 1177 O SER A 80 12.981 -20.032 7.859 1.00 52.43 O ATOM 1178 CB SER A 80 15.588 -21.601 6.626 1.00 21.24 C ATOM 1179 OG SER A 80 14.422 -21.841 5.858 1.00 32.41 O ATOM 0 H SER A 80 13.891 -21.748 9.113 1.00 2.41 H new ATOM 0 HA SER A 80 16.155 -20.209 8.162 1.00 52.22 H new ATOM 0 HB2 SER A 80 16.327 -21.080 6.018 1.00 21.24 H new ATOM 0 HB3 SER A 80 16.033 -22.550 6.924 1.00 21.24 H new ATOM 0 HG SER A 80 14.677 -22.156 4.966 1.00 32.41 H new ATOM 1185 N SER A 81 14.513 -18.654 6.955 1.00 45.00 N ATOM 1186 CA SER A 81 13.542 -17.624 6.606 1.00 43.21 C ATOM 1187 C SER A 81 14.141 -16.625 5.620 1.00 14.22 C ATOM 1188 O SER A 81 15.360 -16.486 5.522 1.00 60.41 O ATOM 1189 CB SER A 81 13.067 -16.894 7.864 1.00 71.12 C ATOM 1190 OG SER A 81 11.701 -16.531 7.757 1.00 22.14 O ATOM 0 H SER A 81 15.474 -18.432 6.697 1.00 45.00 H new ATOM 0 HA SER A 81 12.689 -18.109 6.132 1.00 43.21 H new ATOM 0 HB2 SER A 81 13.210 -17.533 8.735 1.00 71.12 H new ATOM 0 HB3 SER A 81 13.673 -16.001 8.021 1.00 71.12 H new ATOM 0 HG SER A 81 11.161 -17.333 7.599 1.00 22.14 H new ATOM 1196 N PHE A 82 13.273 -15.930 4.892 1.00 60.24 N ATOM 1197 CA PHE A 82 13.714 -14.944 3.912 1.00 22.10 C ATOM 1198 C PHE A 82 12.680 -13.833 3.755 1.00 20.10 C ATOM 1199 O PHE A 82 11.480 -14.095 3.668 1.00 22.15 O ATOM 1200 CB PHE A 82 13.968 -15.615 2.560 1.00 11.24 C ATOM 1201 CG PHE A 82 12.709 -15.952 1.813 1.00 25.41 C ATOM 1202 CD1 PHE A 82 11.784 -16.832 2.351 1.00 55.22 C ATOM 1203 CD2 PHE A 82 12.452 -15.390 0.573 1.00 2.13 C ATOM 1204 CE1 PHE A 82 10.625 -17.145 1.665 1.00 42.32 C ATOM 1205 CE2 PHE A 82 11.295 -15.699 -0.117 1.00 43.42 C ATOM 1206 CZ PHE A 82 10.380 -16.576 0.430 1.00 62.51 C ATOM 0 H PHE A 82 12.260 -16.031 4.962 1.00 60.24 H new ATOM 0 HA PHE A 82 14.644 -14.503 4.271 1.00 22.10 H new ATOM 0 HB2 PHE A 82 14.580 -14.955 1.945 1.00 11.24 H new ATOM 0 HB3 PHE A 82 14.543 -16.528 2.718 1.00 11.24 H new ATOM 0 HD1 PHE A 82 11.970 -17.278 3.317 1.00 55.22 H new ATOM 0 HD2 PHE A 82 13.164 -14.703 0.141 1.00 2.13 H new ATOM 0 HE1 PHE A 82 9.912 -17.833 2.094 1.00 42.32 H new ATOM 0 HE2 PHE A 82 11.107 -15.255 -1.083 1.00 43.42 H new ATOM 0 HZ PHE A 82 9.474 -16.817 -0.106 1.00 62.51 H new ATOM 1216 N ARG A 83 13.154 -12.592 3.720 1.00 63.22 N ATOM 1217 CA ARG A 83 12.272 -11.441 3.575 1.00 12.33 C ATOM 1218 C ARG A 83 12.057 -11.102 2.103 1.00 10.21 C ATOM 1219 O ARG A 83 13.007 -10.801 1.381 1.00 1.43 O ATOM 1220 CB ARG A 83 12.853 -10.231 4.309 1.00 50.43 C ATOM 1221 CG ARG A 83 12.720 -10.313 5.821 1.00 61.14 C ATOM 1222 CD ARG A 83 11.808 -9.223 6.360 1.00 11.40 C ATOM 1223 NE ARG A 83 10.911 -9.723 7.398 1.00 74.21 N ATOM 1224 CZ ARG A 83 9.946 -8.995 7.949 1.00 32.31 C ATOM 1225 NH1 ARG A 83 9.754 -7.741 7.563 1.00 21.41 N ATOM 1226 NH2 ARG A 83 9.170 -9.522 8.888 1.00 10.30 N ATOM 0 H ARG A 83 14.144 -12.358 3.790 1.00 63.22 H new ATOM 0 HA ARG A 83 11.308 -11.696 4.015 1.00 12.33 H new ATOM 0 HB2 ARG A 83 13.907 -10.132 4.051 1.00 50.43 H new ATOM 0 HB3 ARG A 83 12.352 -9.329 3.957 1.00 50.43 H new ATOM 0 HG2 ARG A 83 12.325 -11.290 6.100 1.00 61.14 H new ATOM 0 HG3 ARG A 83 13.705 -10.224 6.279 1.00 61.14 H new ATOM 0 HD2 ARG A 83 12.413 -8.411 6.764 1.00 11.40 H new ATOM 0 HD3 ARG A 83 11.220 -8.806 5.543 1.00 11.40 H new ATOM 0 HE ARG A 83 11.032 -10.684 7.718 1.00 74.21 H new ATOM 0 HH11 ARG A 83 10.348 -7.333 6.841 1.00 21.41 H new ATOM 0 HH12 ARG A 83 9.012 -7.184 7.988 1.00 21.41 H new ATOM 0 HH21 ARG A 83 9.314 -10.486 9.187 1.00 10.30 H new ATOM 0 HH22 ARG A 83 8.429 -8.963 9.311 1.00 10.30 H new ATOM 1240 N GLN A 84 10.803 -11.154 1.666 1.00 31.10 N ATOM 1241 CA GLN A 84 10.464 -10.854 0.280 1.00 44.21 C ATOM 1242 C GLN A 84 10.409 -9.348 0.047 1.00 11.41 C ATOM 1243 O GLN A 84 9.415 -8.696 0.369 1.00 34.41 O ATOM 1244 CB GLN A 84 9.122 -11.489 -0.088 1.00 42.44 C ATOM 1245 CG GLN A 84 9.257 -12.808 -0.830 1.00 73.55 C ATOM 1246 CD GLN A 84 7.915 -13.407 -1.205 1.00 41.30 C ATOM 1247 OE1 GLN A 84 7.665 -14.591 -0.977 1.00 11.41 O ATOM 1248 NE2 GLN A 84 7.043 -12.589 -1.784 1.00 31.55 N ATOM 0 H GLN A 84 10.005 -11.401 2.252 1.00 31.10 H new ATOM 0 HA GLN A 84 11.243 -11.273 -0.357 1.00 44.21 H new ATOM 0 HB2 GLN A 84 8.544 -11.651 0.822 1.00 42.44 H new ATOM 0 HB3 GLN A 84 8.556 -10.791 -0.705 1.00 42.44 H new ATOM 0 HG2 GLN A 84 9.847 -12.653 -1.734 1.00 73.55 H new ATOM 0 HG3 GLN A 84 9.806 -13.516 -0.208 1.00 73.55 H new ATOM 0 HE21 GLN A 84 7.293 -11.615 -1.954 1.00 31.55 H new ATOM 0 HE22 GLN A 84 6.124 -12.935 -2.059 1.00 31.55 H new ATOM 1257 N ILE A 85 11.482 -8.801 -0.513 1.00 43.43 N ATOM 1258 CA ILE A 85 11.555 -7.371 -0.789 1.00 73.35 C ATOM 1259 C ILE A 85 11.933 -7.111 -2.244 1.00 11.24 C ATOM 1260 O ILE A 85 12.431 -6.038 -2.584 1.00 44.10 O ATOM 1261 CB ILE A 85 12.575 -6.672 0.128 1.00 41.32 C ATOM 1262 CG1 ILE A 85 13.873 -7.479 0.193 1.00 71.40 C ATOM 1263 CG2 ILE A 85 11.992 -6.482 1.520 1.00 5.23 C ATOM 1264 CD1 ILE A 85 15.118 -6.639 0.014 1.00 15.41 C ATOM 0 H ILE A 85 12.313 -9.326 -0.785 1.00 43.43 H new ATOM 0 HA ILE A 85 10.564 -6.961 -0.595 1.00 73.35 H new ATOM 0 HB ILE A 85 12.801 -5.690 -0.287 1.00 41.32 H new ATOM 0 HG12 ILE A 85 13.925 -7.991 1.154 1.00 71.40 H new ATOM 0 HG13 ILE A 85 13.851 -8.250 -0.578 1.00 71.40 H new ATOM 0 HG21 ILE A 85 12.725 -5.987 2.157 1.00 5.23 H new ATOM 0 HG22 ILE A 85 11.093 -5.869 1.457 1.00 5.23 H new ATOM 0 HG23 ILE A 85 11.740 -7.454 1.945 1.00 5.23 H new ATOM 0 HD11 ILE A 85 15.999 -7.278 0.072 1.00 15.41 H new ATOM 0 HD12 ILE A 85 15.089 -6.148 -0.959 1.00 15.41 H new ATOM 0 HD13 ILE A 85 15.164 -5.885 0.800 1.00 15.41 H new TER 1276 ILE A 85