USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=22 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 68 SER OG : rot -163:sc= 0.0685 USER MOD Set 1.2: A 71 SER OG : rot 61:sc= 0.63 USER MOD Set 2.1: A 49 TYR OH : rot 53:sc= 0.251 USER MOD Set 2.2: A 53 ASN : amide:sc= 0.246 K(o=0.5,f=-0.08) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 138:sc= -0.204 (180deg=-0.977) USER MOD Single : A 2 ASN : amide:sc= -0.357 X(o=-0.36,f=-0.35) USER MOD Single : A 9 TYR OH : rot 180:sc= -0.483 USER MOD Single : A 11 HIS : no HE2:sc= -0.374 K(o=-0.37,f=-2.3) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 36:sc= 0.854 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ -166:sc= -0.0659 (180deg=-0.304) USER MOD Single : A 37 SER OG : rot -63:sc= 1.22 USER MOD Single : A 38 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc=-0.00958 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -3:sc= -0.378 USER MOD Single : A 66 TYR OH : rot -64:sc= 0.0797 USER MOD Single : A 67 SER OG : rot 54:sc= 0.793 USER MOD Single : A 77 ASN : amide:sc= 0.42 K(o=0.42,f=-0.67) USER MOD Single : A 78 SER OG : rot 180:sc= -0.732 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN :FLIP amide:sc= -3.5! C(o=-5.6!,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.488 2.824 -0.656 1.00 3.15 N ATOM 2 CA MET A 1 2.135 3.371 -1.960 1.00 73.03 C ATOM 3 C MET A 1 1.291 2.379 -2.755 1.00 14.42 C ATOM 4 O MET A 1 1.620 1.197 -2.838 1.00 43.14 O ATOM 5 CB MET A 1 3.397 3.728 -2.747 1.00 5.54 C ATOM 6 CG MET A 1 4.344 2.555 -2.943 1.00 14.11 C ATOM 7 SD MET A 1 6.053 3.074 -3.185 1.00 42.32 S ATOM 8 CE MET A 1 6.920 1.855 -2.200 1.00 42.31 C ATOM 0 H1 MET A 1 3.482 3.046 -0.444 1.00 3.15 H new ATOM 0 H2 MET A 1 1.876 3.243 0.073 1.00 3.15 H new ATOM 0 H3 MET A 1 2.358 1.792 -0.666 1.00 3.15 H new ATOM 0 HA MET A 1 1.548 4.275 -1.799 1.00 73.03 H new ATOM 0 HB2 MET A 1 3.108 4.118 -3.723 1.00 5.54 H new ATOM 0 HB3 MET A 1 3.925 4.528 -2.228 1.00 5.54 H new ATOM 0 HG2 MET A 1 4.287 1.899 -2.075 1.00 14.11 H new ATOM 0 HG3 MET A 1 4.020 1.972 -3.805 1.00 14.11 H new ATOM 0 HE1 MET A 1 7.992 2.043 -2.249 1.00 42.31 H new ATOM 0 HE2 MET A 1 6.587 1.921 -1.164 1.00 42.31 H new ATOM 0 HE3 MET A 1 6.709 0.858 -2.586 1.00 42.31 H new ATOM 18 N ASN A 2 0.200 2.869 -3.336 1.00 45.51 N ATOM 19 CA ASN A 2 -0.691 2.025 -4.123 1.00 51.31 C ATOM 20 C ASN A 2 -1.216 2.777 -5.343 1.00 21.13 C ATOM 21 O ASN A 2 -1.732 3.888 -5.225 1.00 74.30 O ATOM 22 CB ASN A 2 -1.862 1.544 -3.264 1.00 11.01 C ATOM 23 CG ASN A 2 -1.420 1.092 -1.885 1.00 52.43 C ATOM 24 OD1 ASN A 2 -1.628 1.793 -0.894 1.00 61.33 O ATOM 25 ND2 ASN A 2 -0.807 -0.083 -1.816 1.00 61.44 N ATOM 0 H ASN A 2 -0.088 3.846 -3.276 1.00 45.51 H new ATOM 0 HA ASN A 2 -0.123 1.161 -4.468 1.00 51.31 H new ATOM 0 HB2 ASN A 2 -2.590 2.349 -3.164 1.00 11.01 H new ATOM 0 HB3 ASN A 2 -2.366 0.720 -3.769 1.00 11.01 H new ATOM 0 HD21 ASN A 2 -0.487 -0.439 -0.915 1.00 61.44 H new ATOM 0 HD22 ASN A 2 -0.656 -0.630 -2.664 1.00 61.44 H new ATOM 32 N ALA A 3 -1.080 2.162 -6.513 1.00 52.42 N ATOM 33 CA ALA A 3 -1.543 2.772 -7.754 1.00 63.40 C ATOM 34 C ALA A 3 -2.227 1.744 -8.649 1.00 30.55 C ATOM 35 O ALA A 3 -1.736 1.424 -9.731 1.00 30.33 O ATOM 36 CB ALA A 3 -0.380 3.422 -8.488 1.00 44.03 C ATOM 0 H ALA A 3 -0.653 1.243 -6.628 1.00 52.42 H new ATOM 0 HA ALA A 3 -2.274 3.540 -7.502 1.00 63.40 H new ATOM 0 HB1 ALA A 3 -0.740 3.873 -9.413 1.00 44.03 H new ATOM 0 HB2 ALA A 3 0.064 4.192 -7.857 1.00 44.03 H new ATOM 0 HB3 ALA A 3 0.371 2.667 -8.721 1.00 44.03 H new ATOM 42 N ALA A 4 -3.363 1.229 -8.189 1.00 21.21 N ATOM 43 CA ALA A 4 -4.115 0.238 -8.948 1.00 60.25 C ATOM 44 C ALA A 4 -5.589 0.251 -8.560 1.00 14.52 C ATOM 45 O ALA A 4 -6.149 -0.775 -8.177 1.00 23.43 O ATOM 46 CB ALA A 4 -3.524 -1.148 -8.737 1.00 73.44 C ATOM 0 H ALA A 4 -3.782 1.482 -7.294 1.00 21.21 H new ATOM 0 HA ALA A 4 -4.043 0.495 -10.005 1.00 60.25 H new ATOM 0 HB1 ALA A 4 -4.096 -1.878 -9.310 1.00 73.44 H new ATOM 0 HB2 ALA A 4 -2.487 -1.156 -9.071 1.00 73.44 H new ATOM 0 HB3 ALA A 4 -3.566 -1.404 -7.678 1.00 73.44 H new ATOM 52 N GLU A 5 -6.213 1.421 -8.661 1.00 5.54 N ATOM 53 CA GLU A 5 -7.622 1.567 -8.318 1.00 13.54 C ATOM 54 C GLU A 5 -8.460 1.839 -9.564 1.00 32.03 C ATOM 55 O GLU A 5 -8.521 2.968 -10.051 1.00 64.11 O ATOM 56 CB GLU A 5 -7.809 2.701 -7.307 1.00 34.11 C ATOM 57 CG GLU A 5 -6.786 2.691 -6.184 1.00 65.43 C ATOM 58 CD GLU A 5 -7.236 3.490 -4.977 1.00 24.11 C ATOM 59 OE1 GLU A 5 -7.999 2.943 -4.154 1.00 2.34 O ATOM 60 OE2 GLU A 5 -6.824 4.663 -4.856 1.00 23.24 O ATOM 0 H GLU A 5 -5.765 2.281 -8.978 1.00 5.54 H new ATOM 0 HA GLU A 5 -7.959 0.632 -7.871 1.00 13.54 H new ATOM 0 HB2 GLU A 5 -7.752 3.656 -7.830 1.00 34.11 H new ATOM 0 HB3 GLU A 5 -8.808 2.632 -6.877 1.00 34.11 H new ATOM 0 HG2 GLU A 5 -6.594 1.661 -5.882 1.00 65.43 H new ATOM 0 HG3 GLU A 5 -5.844 3.096 -6.553 1.00 65.43 H new ATOM 67 N VAL A 6 -9.105 0.795 -10.075 1.00 50.11 N ATOM 68 CA VAL A 6 -9.940 0.920 -11.264 1.00 20.32 C ATOM 69 C VAL A 6 -11.311 0.292 -11.040 1.00 53.15 C ATOM 70 O VAL A 6 -11.418 -0.831 -10.547 1.00 70.13 O ATOM 71 CB VAL A 6 -9.278 0.258 -12.487 1.00 23.22 C ATOM 72 CG1 VAL A 6 -10.257 0.180 -13.648 1.00 33.22 C ATOM 73 CG2 VAL A 6 -8.022 1.017 -12.888 1.00 70.11 C ATOM 0 H VAL A 6 -9.065 -0.146 -9.684 1.00 50.11 H new ATOM 0 HA VAL A 6 -10.059 1.986 -11.457 1.00 20.32 H new ATOM 0 HB VAL A 6 -8.991 -0.758 -12.217 1.00 23.22 H new ATOM 0 HG11 VAL A 6 -9.771 -0.291 -14.503 1.00 33.22 H new ATOM 0 HG12 VAL A 6 -11.125 -0.410 -13.353 1.00 33.22 H new ATOM 0 HG13 VAL A 6 -10.578 1.185 -13.921 1.00 33.22 H new ATOM 0 HG21 VAL A 6 -7.567 0.536 -13.754 1.00 70.11 H new ATOM 0 HG22 VAL A 6 -8.283 2.045 -13.140 1.00 70.11 H new ATOM 0 HG23 VAL A 6 -7.315 1.015 -12.058 1.00 70.11 H new ATOM 83 N ILE A 7 -12.358 1.024 -11.407 1.00 3.41 N ATOM 84 CA ILE A 7 -13.723 0.539 -11.248 1.00 23.50 C ATOM 85 C ILE A 7 -14.601 0.974 -12.416 1.00 42.21 C ATOM 86 O ILE A 7 -14.815 2.167 -12.635 1.00 62.41 O ATOM 87 CB ILE A 7 -14.350 1.041 -9.934 1.00 24.31 C ATOM 88 CG1 ILE A 7 -15.818 0.619 -9.850 1.00 21.31 C ATOM 89 CG2 ILE A 7 -14.221 2.553 -9.830 1.00 4.04 C ATOM 90 CD1 ILE A 7 -16.317 0.446 -8.432 1.00 40.54 C ATOM 0 H ILE A 7 -12.287 1.955 -11.817 1.00 3.41 H new ATOM 0 HA ILE A 7 -13.670 -0.549 -11.223 1.00 23.50 H new ATOM 0 HB ILE A 7 -13.814 0.592 -9.098 1.00 24.31 H new ATOM 0 HG12 ILE A 7 -16.432 1.366 -10.354 1.00 21.31 H new ATOM 0 HG13 ILE A 7 -15.950 -0.319 -10.390 1.00 21.31 H new ATOM 0 HG21 ILE A 7 -14.669 2.893 -8.896 1.00 4.04 H new ATOM 0 HG22 ILE A 7 -13.167 2.830 -9.849 1.00 4.04 H new ATOM 0 HG23 ILE A 7 -14.735 3.021 -10.670 1.00 4.04 H new ATOM 0 HD11 ILE A 7 -17.365 0.146 -8.449 1.00 40.54 H new ATOM 0 HD12 ILE A 7 -15.728 -0.322 -7.930 1.00 40.54 H new ATOM 0 HD13 ILE A 7 -16.218 1.389 -7.894 1.00 40.54 H new ATOM 102 N VAL A 8 -15.109 -0.001 -13.163 1.00 41.22 N ATOM 103 CA VAL A 8 -15.967 0.281 -14.308 1.00 1.12 C ATOM 104 C VAL A 8 -17.189 -0.630 -14.316 1.00 61.53 C ATOM 105 O VAL A 8 -17.138 -1.759 -13.826 1.00 51.13 O ATOM 106 CB VAL A 8 -15.205 0.112 -15.636 1.00 2.24 C ATOM 107 CG1 VAL A 8 -13.890 0.876 -15.598 1.00 20.03 C ATOM 108 CG2 VAL A 8 -14.967 -1.361 -15.929 1.00 63.30 C ATOM 0 H VAL A 8 -14.941 -0.993 -12.996 1.00 41.22 H new ATOM 0 HA VAL A 8 -16.291 1.318 -14.213 1.00 1.12 H new ATOM 0 HB VAL A 8 -15.814 0.525 -16.440 1.00 2.24 H new ATOM 0 HG11 VAL A 8 -13.366 0.745 -16.545 1.00 20.03 H new ATOM 0 HG12 VAL A 8 -14.089 1.936 -15.437 1.00 20.03 H new ATOM 0 HG13 VAL A 8 -13.272 0.496 -14.785 1.00 20.03 H new ATOM 0 HG21 VAL A 8 -14.428 -1.462 -16.871 1.00 63.30 H new ATOM 0 HG22 VAL A 8 -14.378 -1.802 -15.124 1.00 63.30 H new ATOM 0 HG23 VAL A 8 -15.924 -1.877 -16.002 1.00 63.30 H new ATOM 118 N TYR A 9 -18.286 -0.134 -14.877 1.00 32.14 N ATOM 119 CA TYR A 9 -19.523 -0.903 -14.948 1.00 20.14 C ATOM 120 C TYR A 9 -19.792 -1.371 -16.374 1.00 55.15 C ATOM 121 O TYR A 9 -19.527 -0.650 -17.336 1.00 22.04 O ATOM 122 CB TYR A 9 -20.699 -0.065 -14.443 1.00 61.01 C ATOM 123 CG TYR A 9 -20.760 0.047 -12.937 1.00 11.55 C ATOM 124 CD1 TYR A 9 -19.693 0.570 -12.216 1.00 13.04 C ATOM 125 CD2 TYR A 9 -21.884 -0.370 -12.234 1.00 2.51 C ATOM 126 CE1 TYR A 9 -19.744 0.674 -10.839 1.00 12.20 C ATOM 127 CE2 TYR A 9 -21.944 -0.268 -10.858 1.00 11.34 C ATOM 128 CZ TYR A 9 -20.872 0.254 -10.165 1.00 1.54 C ATOM 129 OH TYR A 9 -20.927 0.356 -8.793 1.00 55.15 O ATOM 0 H TYR A 9 -18.344 0.797 -15.289 1.00 32.14 H new ATOM 0 HA TYR A 9 -19.412 -1.781 -14.312 1.00 20.14 H new ATOM 0 HB2 TYR A 9 -20.632 0.935 -14.871 1.00 61.01 H new ATOM 0 HB3 TYR A 9 -21.629 -0.504 -14.804 1.00 61.01 H new ATOM 0 HD1 TYR A 9 -18.809 0.901 -12.741 1.00 13.04 H new ATOM 0 HD2 TYR A 9 -22.725 -0.781 -12.773 1.00 2.51 H new ATOM 0 HE1 TYR A 9 -18.906 1.082 -10.294 1.00 12.20 H new ATOM 0 HE2 TYR A 9 -22.826 -0.595 -10.327 1.00 11.34 H new ATOM 0 HH TYR A 9 -21.790 0.018 -8.474 1.00 55.15 H new ATOM 139 N GLU A 10 -20.322 -2.583 -16.503 1.00 35.43 N ATOM 140 CA GLU A 10 -20.628 -3.148 -17.812 1.00 31.22 C ATOM 141 C GLU A 10 -22.080 -2.877 -18.196 1.00 1.11 C ATOM 142 O GLU A 10 -22.692 -3.647 -18.937 1.00 41.53 O ATOM 143 CB GLU A 10 -20.361 -4.655 -17.817 1.00 3.30 C ATOM 144 CG GLU A 10 -18.891 -5.011 -17.961 1.00 62.51 C ATOM 145 CD GLU A 10 -18.273 -4.440 -19.223 1.00 22.54 C ATOM 146 OE1 GLU A 10 -18.498 -5.018 -20.307 1.00 23.53 O ATOM 147 OE2 GLU A 10 -17.565 -3.417 -19.126 1.00 43.42 O ATOM 0 H GLU A 10 -20.548 -3.193 -15.717 1.00 35.43 H new ATOM 0 HA GLU A 10 -19.980 -2.669 -18.546 1.00 31.22 H new ATOM 0 HB2 GLU A 10 -20.742 -5.086 -16.891 1.00 3.30 H new ATOM 0 HB3 GLU A 10 -20.919 -5.112 -18.634 1.00 3.30 H new ATOM 0 HG2 GLU A 10 -18.345 -4.640 -17.094 1.00 62.51 H new ATOM 0 HG3 GLU A 10 -18.783 -6.096 -17.966 1.00 62.51 H new ATOM 154 N HIS A 11 -22.625 -1.777 -17.685 1.00 74.45 N ATOM 155 CA HIS A 11 -24.005 -1.404 -17.974 1.00 54.45 C ATOM 156 C HIS A 11 -24.350 -0.061 -17.336 1.00 63.33 C ATOM 157 O HIS A 11 -23.472 0.646 -16.841 1.00 21.41 O ATOM 158 CB HIS A 11 -24.964 -2.482 -17.470 1.00 74.31 C ATOM 159 CG HIS A 11 -26.070 -2.798 -18.431 1.00 4.35 C ATOM 160 ND1 HIS A 11 -27.387 -2.465 -18.197 1.00 52.34 N ATOM 161 CD2 HIS A 11 -26.047 -3.418 -19.633 1.00 71.32 C ATOM 162 CE1 HIS A 11 -28.128 -2.868 -19.214 1.00 64.23 C ATOM 163 NE2 HIS A 11 -27.338 -3.450 -20.100 1.00 13.45 N ATOM 0 H HIS A 11 -22.133 -1.129 -17.070 1.00 74.45 H new ATOM 0 HA HIS A 11 -24.111 -1.311 -19.055 1.00 54.45 H new ATOM 0 HB2 HIS A 11 -24.400 -3.392 -17.266 1.00 74.31 H new ATOM 0 HB3 HIS A 11 -25.398 -2.157 -16.524 1.00 74.31 H new ATOM 0 HD1 HIS A 11 -27.735 -1.983 -17.368 1.00 52.34 H new ATOM 0 HD2 HIS A 11 -25.175 -3.814 -20.133 1.00 71.32 H new ATOM 0 HE1 HIS A 11 -29.197 -2.743 -19.306 1.00 64.23 H new ATOM 171 N VAL A 12 -25.633 0.284 -17.353 1.00 11.55 N ATOM 172 CA VAL A 12 -26.094 1.542 -16.775 1.00 65.33 C ATOM 173 C VAL A 12 -25.818 1.592 -15.277 1.00 35.34 C ATOM 174 O VAL A 12 -25.704 0.557 -14.622 1.00 33.35 O ATOM 175 CB VAL A 12 -27.600 1.752 -17.017 1.00 31.21 C ATOM 176 CG1 VAL A 12 -28.416 0.771 -16.188 1.00 42.22 C ATOM 177 CG2 VAL A 12 -27.995 3.187 -16.701 1.00 61.43 C ATOM 0 H VAL A 12 -26.372 -0.289 -17.760 1.00 11.55 H new ATOM 0 HA VAL A 12 -25.540 2.340 -17.270 1.00 65.33 H new ATOM 0 HB VAL A 12 -27.811 1.564 -18.070 1.00 31.21 H new ATOM 0 HG11 VAL A 12 -29.478 0.934 -16.372 1.00 42.22 H new ATOM 0 HG12 VAL A 12 -28.152 -0.249 -16.467 1.00 42.22 H new ATOM 0 HG13 VAL A 12 -28.203 0.924 -15.130 1.00 42.22 H new ATOM 0 HG21 VAL A 12 -29.063 3.318 -16.878 1.00 61.43 H new ATOM 0 HG22 VAL A 12 -27.771 3.405 -15.657 1.00 61.43 H new ATOM 0 HG23 VAL A 12 -27.435 3.868 -17.342 1.00 61.43 H new ATOM 187 N ASN A 13 -25.714 2.803 -14.740 1.00 4.02 N ATOM 188 CA ASN A 13 -25.452 2.989 -13.317 1.00 63.52 C ATOM 189 C ASN A 13 -26.451 2.204 -12.473 1.00 73.52 C ATOM 190 O ASN A 13 -26.068 1.361 -11.661 1.00 10.41 O ATOM 191 CB ASN A 13 -25.517 4.474 -12.955 1.00 23.42 C ATOM 192 CG ASN A 13 -24.736 4.796 -11.695 1.00 41.14 C ATOM 193 OD1 ASN A 13 -23.537 4.531 -11.610 1.00 63.31 O ATOM 194 ND2 ASN A 13 -25.415 5.371 -10.710 1.00 3.53 N ATOM 0 H ASN A 13 -25.807 3.670 -15.268 1.00 4.02 H new ATOM 0 HA ASN A 13 -24.451 2.614 -13.105 1.00 63.52 H new ATOM 0 HB2 ASN A 13 -25.125 5.065 -13.783 1.00 23.42 H new ATOM 0 HB3 ASN A 13 -26.558 4.767 -12.819 1.00 23.42 H new ATOM 0 HD21 ASN A 13 -24.943 5.612 -9.838 1.00 3.53 H new ATOM 0 HD22 ASN A 13 -26.408 5.572 -10.825 1.00 3.53 H new ATOM 201 N PHE A 14 -27.735 2.485 -12.672 1.00 3.14 N ATOM 202 CA PHE A 14 -28.790 1.806 -11.929 1.00 11.01 C ATOM 203 C PHE A 14 -29.227 0.532 -12.647 1.00 12.43 C ATOM 204 O PHE A 14 -30.418 0.236 -12.739 1.00 24.14 O ATOM 205 CB PHE A 14 -29.990 2.736 -11.741 1.00 12.32 C ATOM 206 CG PHE A 14 -30.295 3.574 -12.950 1.00 22.12 C ATOM 207 CD1 PHE A 14 -30.541 2.979 -14.177 1.00 14.23 C ATOM 208 CD2 PHE A 14 -30.334 4.956 -12.859 1.00 62.05 C ATOM 209 CE1 PHE A 14 -30.822 3.747 -15.291 1.00 74.02 C ATOM 210 CE2 PHE A 14 -30.615 5.729 -13.970 1.00 64.23 C ATOM 211 CZ PHE A 14 -30.858 5.124 -15.188 1.00 20.31 C ATOM 0 H PHE A 14 -28.070 3.178 -13.341 1.00 3.14 H new ATOM 0 HA PHE A 14 -28.394 1.533 -10.951 1.00 11.01 H new ATOM 0 HB2 PHE A 14 -30.867 2.138 -11.493 1.00 12.32 H new ATOM 0 HB3 PHE A 14 -29.801 3.393 -10.892 1.00 12.32 H new ATOM 0 HD1 PHE A 14 -30.513 1.903 -14.264 1.00 14.23 H new ATOM 0 HD2 PHE A 14 -30.143 5.434 -11.910 1.00 62.05 H new ATOM 0 HE1 PHE A 14 -31.013 3.271 -16.241 1.00 74.02 H new ATOM 0 HE2 PHE A 14 -30.645 6.805 -13.886 1.00 64.23 H new ATOM 0 HZ PHE A 14 -31.076 5.726 -16.058 1.00 20.31 H new ATOM 221 N GLY A 15 -28.254 -0.217 -13.155 1.00 23.41 N ATOM 222 CA GLY A 15 -28.557 -1.450 -13.859 1.00 10.33 C ATOM 223 C GLY A 15 -27.310 -2.161 -14.347 1.00 13.35 C ATOM 224 O GLY A 15 -27.313 -2.770 -15.415 1.00 61.40 O ATOM 0 H GLY A 15 -27.261 0.007 -13.092 1.00 23.41 H new ATOM 0 HA2 GLY A 15 -29.115 -2.114 -13.199 1.00 10.33 H new ATOM 0 HA3 GLY A 15 -29.202 -1.230 -14.709 1.00 10.33 H new ATOM 228 N GLY A 16 -26.240 -2.081 -13.562 1.00 20.34 N ATOM 229 CA GLY A 16 -24.995 -2.725 -13.938 1.00 20.35 C ATOM 230 C GLY A 16 -24.173 -3.145 -12.735 1.00 33.40 C ATOM 231 O GLY A 16 -24.402 -2.673 -11.621 1.00 73.32 O ATOM 0 H GLY A 16 -26.213 -1.582 -12.673 1.00 20.34 H new ATOM 0 HA2 GLY A 16 -25.213 -3.601 -14.549 1.00 20.35 H new ATOM 0 HA3 GLY A 16 -24.409 -2.044 -14.555 1.00 20.35 H new ATOM 235 N LYS A 17 -23.214 -4.037 -12.958 1.00 43.13 N ATOM 236 CA LYS A 17 -22.355 -4.522 -11.885 1.00 25.02 C ATOM 237 C LYS A 17 -21.101 -3.662 -11.760 1.00 40.14 C ATOM 238 O LYS A 17 -20.710 -2.977 -12.706 1.00 34.03 O ATOM 239 CB LYS A 17 -21.963 -5.980 -12.137 1.00 3.23 C ATOM 240 CG LYS A 17 -20.874 -6.145 -13.183 1.00 1.03 C ATOM 241 CD LYS A 17 -19.556 -6.567 -12.554 1.00 75.54 C ATOM 242 CE LYS A 17 -19.652 -7.956 -11.941 1.00 3.14 C ATOM 243 NZ LYS A 17 -19.225 -7.962 -10.514 1.00 12.02 N ATOM 0 H LYS A 17 -23.012 -4.439 -13.873 1.00 43.13 H new ATOM 0 HA LYS A 17 -22.913 -4.458 -10.951 1.00 25.02 H new ATOM 0 HB2 LYS A 17 -21.626 -6.424 -11.200 1.00 3.23 H new ATOM 0 HB3 LYS A 17 -22.846 -6.535 -12.453 1.00 3.23 H new ATOM 0 HG2 LYS A 17 -21.183 -6.889 -13.917 1.00 1.03 H new ATOM 0 HG3 LYS A 17 -20.738 -5.206 -13.719 1.00 1.03 H new ATOM 0 HD2 LYS A 17 -18.770 -6.555 -13.309 1.00 75.54 H new ATOM 0 HD3 LYS A 17 -19.271 -5.848 -11.786 1.00 75.54 H new ATOM 0 HE2 LYS A 17 -20.678 -8.316 -12.015 1.00 3.14 H new ATOM 0 HE3 LYS A 17 -19.030 -8.648 -12.509 1.00 3.14 H new ATOM 0 HZ1 LYS A 17 -19.305 -8.926 -10.132 1.00 12.02 H new ATOM 0 HZ2 LYS A 17 -18.237 -7.643 -10.446 1.00 12.02 H new ATOM 0 HZ3 LYS A 17 -19.834 -7.321 -9.967 1.00 12.02 H new ATOM 257 N SER A 18 -20.474 -3.703 -10.589 1.00 71.41 N ATOM 258 CA SER A 18 -19.266 -2.926 -10.341 1.00 3.22 C ATOM 259 C SER A 18 -18.018 -3.762 -10.607 1.00 45.21 C ATOM 260 O SER A 18 -17.630 -4.597 -9.790 1.00 62.10 O ATOM 261 CB SER A 18 -19.251 -2.412 -8.900 1.00 35.12 C ATOM 262 OG SER A 18 -19.272 -3.486 -7.975 1.00 54.14 O ATOM 0 H SER A 18 -20.783 -4.266 -9.797 1.00 71.41 H new ATOM 0 HA SER A 18 -19.265 -2.076 -11.023 1.00 3.22 H new ATOM 0 HB2 SER A 18 -18.361 -1.805 -8.737 1.00 35.12 H new ATOM 0 HB3 SER A 18 -20.113 -1.766 -8.732 1.00 35.12 H new ATOM 0 HG SER A 18 -18.749 -4.235 -8.331 1.00 54.14 H new ATOM 268 N PHE A 19 -17.392 -3.530 -11.757 1.00 33.43 N ATOM 269 CA PHE A 19 -16.188 -4.262 -12.133 1.00 13.01 C ATOM 270 C PHE A 19 -14.936 -3.519 -11.677 1.00 22.44 C ATOM 271 O PHE A 19 -14.490 -2.574 -12.327 1.00 60.02 O ATOM 272 CB PHE A 19 -16.146 -4.473 -13.648 1.00 14.22 C ATOM 273 CG PHE A 19 -15.636 -5.827 -14.051 1.00 3.42 C ATOM 274 CD1 PHE A 19 -14.315 -6.180 -13.823 1.00 53.52 C ATOM 275 CD2 PHE A 19 -16.476 -6.746 -14.658 1.00 20.13 C ATOM 276 CE1 PHE A 19 -13.842 -7.425 -14.192 1.00 52.34 C ATOM 277 CE2 PHE A 19 -16.009 -7.993 -15.029 1.00 3.33 C ATOM 278 CZ PHE A 19 -14.690 -8.332 -14.797 1.00 0.01 C ATOM 0 H PHE A 19 -17.699 -2.841 -12.444 1.00 33.43 H new ATOM 0 HA PHE A 19 -16.214 -5.233 -11.639 1.00 13.01 H new ATOM 0 HB2 PHE A 19 -17.148 -4.336 -14.054 1.00 14.22 H new ATOM 0 HB3 PHE A 19 -15.513 -3.707 -14.096 1.00 14.22 H new ATOM 0 HD1 PHE A 19 -13.648 -5.474 -13.351 1.00 53.52 H new ATOM 0 HD2 PHE A 19 -17.508 -6.485 -14.844 1.00 20.13 H new ATOM 0 HE1 PHE A 19 -12.811 -7.688 -14.008 1.00 52.34 H new ATOM 0 HE2 PHE A 19 -16.675 -8.701 -15.500 1.00 3.33 H new ATOM 0 HZ PHE A 19 -14.322 -9.305 -15.088 1.00 0.01 H new ATOM 288 N ASP A 20 -14.374 -3.954 -10.554 1.00 41.10 N ATOM 289 CA ASP A 20 -13.173 -3.332 -10.010 1.00 4.43 C ATOM 290 C ASP A 20 -11.917 -4.003 -10.557 1.00 30.53 C ATOM 291 O ASP A 20 -11.533 -5.083 -10.108 1.00 31.03 O ATOM 292 CB ASP A 20 -13.181 -3.406 -8.482 1.00 55.20 C ATOM 293 CG ASP A 20 -13.535 -4.789 -7.972 1.00 25.13 C ATOM 294 OD1 ASP A 20 -14.741 -5.096 -7.874 1.00 54.30 O ATOM 295 OD2 ASP A 20 -12.604 -5.565 -7.671 1.00 20.33 O ATOM 0 H ASP A 20 -14.731 -4.735 -10.003 1.00 41.10 H new ATOM 0 HA ASP A 20 -13.166 -2.286 -10.315 1.00 4.43 H new ATOM 0 HB2 ASP A 20 -12.200 -3.122 -8.102 1.00 55.20 H new ATOM 0 HB3 ASP A 20 -13.896 -2.683 -8.090 1.00 55.20 H new ATOM 300 N ALA A 21 -11.282 -3.358 -11.529 1.00 54.45 N ATOM 301 CA ALA A 21 -10.070 -3.892 -12.137 1.00 50.01 C ATOM 302 C ALA A 21 -8.852 -3.623 -11.260 1.00 30.52 C ATOM 303 O ALA A 21 -8.654 -2.507 -10.778 1.00 60.42 O ATOM 304 CB ALA A 21 -9.867 -3.296 -13.522 1.00 60.02 C ATOM 0 H ALA A 21 -11.587 -2.464 -11.913 1.00 54.45 H new ATOM 0 HA ALA A 21 -10.186 -4.972 -12.232 1.00 50.01 H new ATOM 0 HB1 ALA A 21 -8.958 -3.704 -13.964 1.00 60.02 H new ATOM 0 HB2 ALA A 21 -10.720 -3.544 -14.153 1.00 60.02 H new ATOM 0 HB3 ALA A 21 -9.777 -2.213 -13.442 1.00 60.02 H new ATOM 310 N THR A 22 -8.037 -4.654 -11.055 1.00 13.14 N ATOM 311 CA THR A 22 -6.840 -4.530 -10.234 1.00 4.44 C ATOM 312 C THR A 22 -5.719 -5.421 -10.757 1.00 33.10 C ATOM 313 O THR A 22 -5.818 -5.982 -11.848 1.00 70.12 O ATOM 314 CB THR A 22 -7.125 -4.893 -8.764 1.00 55.13 C ATOM 315 OG1 THR A 22 -7.334 -6.304 -8.640 1.00 73.13 O ATOM 316 CG2 THR A 22 -8.348 -4.147 -8.250 1.00 63.24 C ATOM 0 H THR A 22 -8.185 -5.584 -11.447 1.00 13.14 H new ATOM 0 HA THR A 22 -6.527 -3.487 -10.289 1.00 4.44 H new ATOM 0 HB THR A 22 -6.262 -4.600 -8.166 1.00 55.13 H new ATOM 0 HG1 THR A 22 -7.513 -6.527 -7.703 1.00 73.13 H new ATOM 0 HG21 THR A 22 -8.530 -4.419 -7.210 1.00 63.24 H new ATOM 0 HG22 THR A 22 -8.175 -3.073 -8.319 1.00 63.24 H new ATOM 0 HG23 THR A 22 -9.217 -4.414 -8.852 1.00 63.24 H new ATOM 324 N SER A 23 -4.654 -5.548 -9.972 1.00 35.04 N ATOM 325 CA SER A 23 -3.513 -6.370 -10.358 1.00 14.31 C ATOM 326 C SER A 23 -3.822 -7.852 -10.169 1.00 14.21 C ATOM 327 O SER A 23 -3.152 -8.544 -9.402 1.00 73.15 O ATOM 328 CB SER A 23 -2.280 -5.986 -9.538 1.00 14.53 C ATOM 329 OG SER A 23 -1.602 -4.887 -10.121 1.00 41.21 O ATOM 0 H SER A 23 -4.557 -5.092 -9.065 1.00 35.04 H new ATOM 0 HA SER A 23 -3.309 -6.191 -11.414 1.00 14.31 H new ATOM 0 HB2 SER A 23 -2.580 -5.734 -8.521 1.00 14.53 H new ATOM 0 HB3 SER A 23 -1.605 -6.839 -9.469 1.00 14.53 H new ATOM 0 HG SER A 23 -0.819 -4.660 -9.577 1.00 41.21 H new ATOM 335 N ASP A 24 -4.842 -8.331 -10.873 1.00 23.41 N ATOM 336 CA ASP A 24 -5.240 -9.731 -10.785 1.00 34.43 C ATOM 337 C ASP A 24 -6.072 -10.137 -11.997 1.00 53.04 C ATOM 338 O ASP A 24 -5.792 -11.145 -12.644 1.00 63.44 O ATOM 339 CB ASP A 24 -6.034 -9.978 -9.501 1.00 10.23 C ATOM 340 CG ASP A 24 -5.292 -10.867 -8.523 1.00 25.12 C ATOM 341 OD1 ASP A 24 -4.682 -11.860 -8.970 1.00 64.52 O ATOM 342 OD2 ASP A 24 -5.321 -10.570 -7.310 1.00 31.31 O ATOM 0 H ASP A 24 -5.408 -7.771 -11.510 1.00 23.41 H new ATOM 0 HA ASP A 24 -4.336 -10.339 -10.767 1.00 34.43 H new ATOM 0 HB2 ASP A 24 -6.254 -9.023 -9.024 1.00 10.23 H new ATOM 0 HB3 ASP A 24 -6.990 -10.437 -9.751 1.00 10.23 H new ATOM 347 N GLN A 25 -7.096 -9.345 -12.298 1.00 15.13 N ATOM 348 CA GLN A 25 -7.970 -9.623 -13.432 1.00 20.35 C ATOM 349 C GLN A 25 -7.423 -8.993 -14.708 1.00 24.11 C ATOM 350 O GLN A 25 -6.575 -8.101 -14.675 1.00 10.34 O ATOM 351 CB GLN A 25 -9.381 -9.101 -13.156 1.00 31.45 C ATOM 352 CG GLN A 25 -10.411 -10.203 -12.966 1.00 70.31 C ATOM 353 CD GLN A 25 -10.688 -10.498 -11.505 1.00 54.01 C ATOM 354 OE1 GLN A 25 -10.034 -11.344 -10.896 1.00 20.45 O ATOM 355 NE2 GLN A 25 -11.663 -9.799 -10.935 1.00 22.25 N ATOM 0 H GLN A 25 -7.341 -8.506 -11.773 1.00 15.13 H new ATOM 0 HA GLN A 25 -8.011 -10.703 -13.570 1.00 20.35 H new ATOM 0 HB2 GLN A 25 -9.360 -8.477 -12.263 1.00 31.45 H new ATOM 0 HB3 GLN A 25 -9.692 -8.463 -13.984 1.00 31.45 H new ATOM 0 HG2 GLN A 25 -11.340 -9.915 -13.457 1.00 70.31 H new ATOM 0 HG3 GLN A 25 -10.060 -11.111 -13.456 1.00 70.31 H new ATOM 0 HE21 GLN A 25 -12.179 -9.107 -11.478 1.00 22.25 H new ATOM 0 HE22 GLN A 25 -11.895 -9.954 -9.954 1.00 22.25 H new ATOM 364 N PRO A 26 -7.917 -9.467 -15.861 1.00 43.14 N ATOM 365 CA PRO A 26 -7.491 -8.964 -17.171 1.00 13.31 C ATOM 366 C PRO A 26 -8.194 -7.664 -17.549 1.00 21.22 C ATOM 367 O PRO A 26 -7.547 -6.663 -17.851 1.00 41.44 O ATOM 368 CB PRO A 26 -7.893 -10.087 -18.130 1.00 64.10 C ATOM 369 CG PRO A 26 -8.988 -10.812 -17.427 1.00 61.11 C ATOM 370 CD PRO A 26 -8.929 -10.530 -15.976 1.00 53.10 C ATOM 0 HA PRO A 26 -6.427 -8.728 -17.191 1.00 13.31 H new ATOM 0 HB2 PRO A 26 -8.232 -9.688 -19.086 1.00 64.10 H new ATOM 0 HB3 PRO A 26 -7.052 -10.748 -18.340 1.00 64.10 H new ATOM 0 HG2 PRO A 26 -9.954 -10.505 -17.827 1.00 61.11 H new ATOM 0 HG3 PRO A 26 -8.897 -11.884 -17.602 1.00 61.11 H new ATOM 0 HD2 PRO A 26 -9.896 -10.204 -15.593 1.00 53.10 H new ATOM 0 HD3 PRO A 26 -8.644 -11.416 -15.408 1.00 53.10 H new ATOM 378 N GLY A 27 -9.523 -7.688 -17.529 1.00 12.23 N ATOM 379 CA GLY A 27 -10.291 -6.505 -17.871 1.00 34.10 C ATOM 380 C GLY A 27 -11.777 -6.690 -17.634 1.00 31.00 C ATOM 381 O GLY A 27 -12.192 -7.114 -16.556 1.00 74.41 O ATOM 0 H GLY A 27 -10.081 -8.505 -17.282 1.00 12.23 H new ATOM 0 HA2 GLY A 27 -9.934 -5.661 -17.281 1.00 34.10 H new ATOM 0 HA3 GLY A 27 -10.121 -6.256 -18.919 1.00 34.10 H new ATOM 385 N ALA A 28 -12.580 -6.369 -18.643 1.00 71.22 N ATOM 386 CA ALA A 28 -14.028 -6.503 -18.540 1.00 1.35 C ATOM 387 C ALA A 28 -14.503 -7.817 -19.149 1.00 71.22 C ATOM 388 O ALA A 28 -13.909 -8.322 -20.101 1.00 1.01 O ATOM 389 CB ALA A 28 -14.716 -5.326 -19.215 1.00 51.03 C ATOM 0 H ALA A 28 -12.252 -6.014 -19.541 1.00 71.22 H new ATOM 0 HA ALA A 28 -14.293 -6.507 -17.483 1.00 1.35 H new ATOM 0 HB1 ALA A 28 -15.797 -5.439 -19.131 1.00 51.03 H new ATOM 0 HB2 ALA A 28 -14.409 -4.399 -18.731 1.00 51.03 H new ATOM 0 HB3 ALA A 28 -14.436 -5.296 -20.268 1.00 51.03 H new ATOM 395 N GLY A 29 -15.578 -8.368 -18.594 1.00 15.43 N ATOM 396 CA GLY A 29 -16.114 -9.619 -19.096 1.00 34.33 C ATOM 397 C GLY A 29 -17.558 -9.837 -18.687 1.00 62.34 C ATOM 398 O GLY A 29 -17.841 -10.163 -17.534 1.00 54.05 O ATOM 0 H GLY A 29 -16.087 -7.970 -17.805 1.00 15.43 H new ATOM 0 HA2 GLY A 29 -16.042 -9.631 -20.184 1.00 34.33 H new ATOM 0 HA3 GLY A 29 -15.506 -10.445 -18.727 1.00 34.33 H new ATOM 402 N ASP A 30 -18.472 -9.656 -19.634 1.00 13.04 N ATOM 403 CA ASP A 30 -19.895 -9.834 -19.366 1.00 62.33 C ATOM 404 C ASP A 30 -20.675 -10.003 -20.666 1.00 70.42 C ATOM 405 O ASP A 30 -20.491 -9.243 -21.615 1.00 44.15 O ATOM 406 CB ASP A 30 -20.441 -8.641 -18.580 1.00 73.54 C ATOM 407 CG ASP A 30 -21.627 -9.014 -17.712 1.00 72.25 C ATOM 408 OD1 ASP A 30 -22.662 -9.436 -18.271 1.00 12.44 O ATOM 409 OD2 ASP A 30 -21.520 -8.886 -16.475 1.00 50.52 O ATOM 0 H ASP A 30 -18.254 -9.386 -20.593 1.00 13.04 H new ATOM 0 HA ASP A 30 -20.017 -10.738 -18.770 1.00 62.33 H new ATOM 0 HB2 ASP A 30 -19.650 -8.230 -17.953 1.00 73.54 H new ATOM 0 HB3 ASP A 30 -20.736 -7.856 -19.276 1.00 73.54 H new ATOM 414 N ASN A 31 -21.546 -11.006 -20.701 1.00 74.33 N ATOM 415 CA ASN A 31 -22.354 -11.276 -21.886 1.00 24.44 C ATOM 416 C ASN A 31 -23.665 -10.498 -21.839 1.00 42.33 C ATOM 417 O ASN A 31 -24.554 -10.805 -21.044 1.00 53.44 O ATOM 418 CB ASN A 31 -22.641 -12.775 -22.002 1.00 11.34 C ATOM 419 CG ASN A 31 -23.488 -13.109 -23.214 1.00 51.33 C ATOM 420 OD1 ASN A 31 -24.705 -13.267 -23.111 1.00 64.12 O ATOM 421 ND2 ASN A 31 -22.847 -13.218 -24.372 1.00 5.31 N ATOM 0 H ASN A 31 -21.711 -11.645 -19.923 1.00 74.33 H new ATOM 0 HA ASN A 31 -21.791 -10.952 -22.761 1.00 24.44 H new ATOM 0 HB2 ASN A 31 -21.698 -13.319 -22.060 1.00 11.34 H new ATOM 0 HB3 ASN A 31 -23.151 -13.115 -21.101 1.00 11.34 H new ATOM 0 HD21 ASN A 31 -23.364 -13.441 -25.222 1.00 5.31 H new ATOM 0 HD22 ASN A 31 -21.837 -13.079 -24.411 1.00 5.31 H new ATOM 428 N LEU A 32 -23.778 -9.489 -22.697 1.00 31.43 N ATOM 429 CA LEU A 32 -24.981 -8.666 -22.755 1.00 70.20 C ATOM 430 C LEU A 32 -24.885 -7.641 -23.880 1.00 1.51 C ATOM 431 O LEU A 32 -23.986 -7.705 -24.717 1.00 61.51 O ATOM 432 CB LEU A 32 -25.202 -7.955 -21.419 1.00 24.23 C ATOM 433 CG LEU A 32 -26.634 -7.962 -20.883 1.00 42.22 C ATOM 434 CD1 LEU A 32 -27.114 -9.388 -20.661 1.00 1.43 C ATOM 435 CD2 LEU A 32 -26.725 -7.159 -19.594 1.00 22.03 C ATOM 0 H LEU A 32 -23.052 -9.222 -23.361 1.00 31.43 H new ATOM 0 HA LEU A 32 -25.830 -9.320 -22.955 1.00 70.20 H new ATOM 0 HB2 LEU A 32 -24.554 -8.416 -20.673 1.00 24.23 H new ATOM 0 HB3 LEU A 32 -24.880 -6.919 -21.524 1.00 24.23 H new ATOM 0 HG LEU A 32 -27.282 -7.494 -21.625 1.00 42.22 H new ATOM 0 HD11 LEU A 32 -28.135 -9.373 -20.279 1.00 1.43 H new ATOM 0 HD12 LEU A 32 -27.087 -9.932 -21.605 1.00 1.43 H new ATOM 0 HD13 LEU A 32 -26.464 -9.882 -19.939 1.00 1.43 H new ATOM 0 HD21 LEU A 32 -27.751 -7.175 -19.227 1.00 22.03 H new ATOM 0 HD22 LEU A 32 -26.065 -7.597 -18.845 1.00 22.03 H new ATOM 0 HD23 LEU A 32 -26.424 -6.129 -19.785 1.00 22.03 H new ATOM 447 N ASN A 33 -25.817 -6.693 -23.891 1.00 61.01 N ATOM 448 CA ASN A 33 -25.836 -5.652 -24.912 1.00 53.12 C ATOM 449 C ASN A 33 -24.978 -4.463 -24.493 1.00 4.41 C ATOM 450 O ASN A 33 -24.953 -4.084 -23.322 1.00 10.22 O ATOM 451 CB ASN A 33 -27.272 -5.192 -25.174 1.00 2.22 C ATOM 452 CG ASN A 33 -27.856 -5.806 -26.431 1.00 62.23 C ATOM 453 OD1 ASN A 33 -27.538 -5.389 -27.545 1.00 1.31 O ATOM 454 ND2 ASN A 33 -28.715 -6.803 -26.258 1.00 74.41 N ATOM 0 H ASN A 33 -26.568 -6.625 -23.205 1.00 61.01 H new ATOM 0 HA ASN A 33 -25.422 -6.070 -25.830 1.00 53.12 H new ATOM 0 HB2 ASN A 33 -27.896 -5.456 -24.320 1.00 2.22 H new ATOM 0 HB3 ASN A 33 -27.292 -4.106 -25.260 1.00 2.22 H new ATOM 0 HD21 ASN A 33 -29.140 -7.256 -27.067 1.00 74.41 H new ATOM 0 HD22 ASN A 33 -28.950 -7.116 -25.316 1.00 74.41 H new ATOM 461 N ASP A 34 -24.275 -3.878 -25.457 1.00 54.01 N ATOM 462 CA ASP A 34 -23.416 -2.730 -25.189 1.00 74.41 C ATOM 463 C ASP A 34 -24.247 -1.470 -24.970 1.00 3.41 C ATOM 464 O ASP A 34 -24.265 -0.571 -25.811 1.00 73.04 O ATOM 465 CB ASP A 34 -22.438 -2.517 -26.346 1.00 34.24 C ATOM 466 CG ASP A 34 -21.112 -3.215 -26.118 1.00 61.11 C ATOM 467 OD1 ASP A 34 -20.676 -3.295 -24.950 1.00 45.24 O ATOM 468 OD2 ASP A 34 -20.510 -3.682 -27.107 1.00 75.45 O ATOM 0 H ASP A 34 -24.283 -4.180 -26.431 1.00 54.01 H new ATOM 0 HA ASP A 34 -22.851 -2.934 -24.279 1.00 74.41 H new ATOM 0 HB2 ASP A 34 -22.886 -2.886 -27.269 1.00 34.24 H new ATOM 0 HB3 ASP A 34 -22.265 -1.449 -26.480 1.00 34.24 H new ATOM 473 N LYS A 35 -24.934 -1.410 -23.834 1.00 42.12 N ATOM 474 CA LYS A 35 -25.767 -0.260 -23.503 1.00 4.13 C ATOM 475 C LYS A 35 -24.965 0.790 -22.740 1.00 15.23 C ATOM 476 O LYS A 35 -23.749 0.670 -22.592 1.00 61.42 O ATOM 477 CB LYS A 35 -26.973 -0.701 -22.670 1.00 42.43 C ATOM 478 CG LYS A 35 -27.859 -1.714 -23.373 1.00 55.24 C ATOM 479 CD LYS A 35 -28.331 -1.200 -24.724 1.00 30.25 C ATOM 480 CE LYS A 35 -29.157 0.069 -24.580 1.00 4.14 C ATOM 481 NZ LYS A 35 -30.298 -0.115 -23.641 1.00 3.04 N ATOM 0 H LYS A 35 -24.930 -2.145 -23.127 1.00 42.12 H new ATOM 0 HA LYS A 35 -26.119 0.183 -24.435 1.00 4.13 H new ATOM 0 HB2 LYS A 35 -26.619 -1.129 -21.732 1.00 42.43 H new ATOM 0 HB3 LYS A 35 -27.569 0.176 -22.416 1.00 42.43 H new ATOM 0 HG2 LYS A 35 -27.311 -2.646 -23.509 1.00 55.24 H new ATOM 0 HG3 LYS A 35 -28.722 -1.940 -22.747 1.00 55.24 H new ATOM 0 HD2 LYS A 35 -27.469 -1.004 -25.361 1.00 30.25 H new ATOM 0 HD3 LYS A 35 -28.925 -1.968 -25.219 1.00 30.25 H new ATOM 0 HE2 LYS A 35 -28.520 0.878 -24.223 1.00 4.14 H new ATOM 0 HE3 LYS A 35 -29.536 0.369 -25.557 1.00 4.14 H new ATOM 0 HZ1 LYS A 35 -30.965 0.676 -23.747 1.00 3.04 H new ATOM 0 HZ2 LYS A 35 -30.784 -1.009 -23.856 1.00 3.04 H new ATOM 0 HZ3 LYS A 35 -29.943 -0.140 -22.664 1.00 3.04 H new ATOM 495 N ILE A 36 -25.655 1.818 -22.256 1.00 71.22 N ATOM 496 CA ILE A 36 -25.007 2.887 -21.506 1.00 74.33 C ATOM 497 C ILE A 36 -24.127 2.324 -20.396 1.00 64.30 C ATOM 498 O ILE A 36 -24.625 1.812 -19.393 1.00 41.53 O ATOM 499 CB ILE A 36 -26.041 3.848 -20.889 1.00 23.40 C ATOM 500 CG1 ILE A 36 -25.350 4.839 -19.950 1.00 35.45 C ATOM 501 CG2 ILE A 36 -27.114 3.065 -20.147 1.00 10.42 C ATOM 502 CD1 ILE A 36 -25.955 6.225 -19.984 1.00 30.24 C ATOM 0 H ILE A 36 -26.662 1.933 -22.370 1.00 71.22 H new ATOM 0 HA ILE A 36 -24.387 3.438 -22.213 1.00 74.33 H new ATOM 0 HB ILE A 36 -26.519 4.410 -21.691 1.00 23.40 H new ATOM 0 HG12 ILE A 36 -25.398 4.455 -18.931 1.00 35.45 H new ATOM 0 HG13 ILE A 36 -24.295 4.905 -20.217 1.00 35.45 H new ATOM 0 HG21 ILE A 36 -27.837 3.757 -19.716 1.00 10.42 H new ATOM 0 HG22 ILE A 36 -27.621 2.395 -20.841 1.00 10.42 H new ATOM 0 HG23 ILE A 36 -26.653 2.481 -19.351 1.00 10.42 H new ATOM 0 HD11 ILE A 36 -25.416 6.874 -19.294 1.00 30.24 H new ATOM 0 HD12 ILE A 36 -25.883 6.629 -20.994 1.00 30.24 H new ATOM 0 HD13 ILE A 36 -27.003 6.172 -19.688 1.00 30.24 H new ATOM 514 N SER A 37 -22.814 2.423 -20.582 1.00 32.14 N ATOM 515 CA SER A 37 -21.863 1.922 -19.597 1.00 21.24 C ATOM 516 C SER A 37 -21.277 3.067 -18.775 1.00 75.43 C ATOM 517 O SER A 37 -21.192 4.201 -19.244 1.00 53.44 O ATOM 518 CB SER A 37 -20.739 1.149 -20.289 1.00 43.12 C ATOM 519 OG SER A 37 -20.518 -0.102 -19.662 1.00 31.23 O ATOM 0 H SER A 37 -22.385 2.845 -21.405 1.00 32.14 H new ATOM 0 HA SER A 37 -22.396 1.250 -18.924 1.00 21.24 H new ATOM 0 HB2 SER A 37 -20.993 0.994 -21.338 1.00 43.12 H new ATOM 0 HB3 SER A 37 -19.822 1.737 -20.267 1.00 43.12 H new ATOM 0 HG SER A 37 -20.215 0.043 -18.741 1.00 31.23 H new ATOM 525 N SER A 38 -20.875 2.759 -17.546 1.00 53.42 N ATOM 526 CA SER A 38 -20.301 3.762 -16.657 1.00 13.32 C ATOM 527 C SER A 38 -18.825 3.478 -16.399 1.00 4.21 C ATOM 528 O SER A 38 -18.479 2.556 -15.660 1.00 62.32 O ATOM 529 CB SER A 38 -21.065 3.796 -15.331 1.00 42.25 C ATOM 530 OG SER A 38 -20.773 4.977 -14.605 1.00 10.31 O ATOM 0 H SER A 38 -20.936 1.824 -17.144 1.00 53.42 H new ATOM 0 HA SER A 38 -20.387 4.734 -17.143 1.00 13.32 H new ATOM 0 HB2 SER A 38 -22.136 3.739 -15.523 1.00 42.25 H new ATOM 0 HB3 SER A 38 -20.802 2.923 -14.733 1.00 42.25 H new ATOM 0 HG SER A 38 -21.274 4.976 -13.763 1.00 10.31 H new ATOM 536 N ILE A 39 -17.959 4.277 -17.013 1.00 41.41 N ATOM 537 CA ILE A 39 -16.520 4.113 -16.850 1.00 2.33 C ATOM 538 C ILE A 39 -15.918 5.281 -16.075 1.00 62.31 C ATOM 539 O ILE A 39 -15.903 6.416 -16.552 1.00 60.54 O ATOM 540 CB ILE A 39 -15.809 3.994 -18.211 1.00 22.34 C ATOM 541 CG1 ILE A 39 -15.815 2.540 -18.688 1.00 53.00 C ATOM 542 CG2 ILE A 39 -14.384 4.518 -18.112 1.00 30.03 C ATOM 543 CD1 ILE A 39 -17.203 1.950 -18.809 1.00 21.02 C ATOM 0 H ILE A 39 -18.229 5.045 -17.628 1.00 41.41 H new ATOM 0 HA ILE A 39 -16.369 3.191 -16.289 1.00 2.33 H new ATOM 0 HB ILE A 39 -16.348 4.599 -18.940 1.00 22.34 H new ATOM 0 HG12 ILE A 39 -15.318 2.482 -19.657 1.00 53.00 H new ATOM 0 HG13 ILE A 39 -15.231 1.936 -17.994 1.00 53.00 H new ATOM 0 HG21 ILE A 39 -13.895 4.427 -19.082 1.00 30.03 H new ATOM 0 HG22 ILE A 39 -14.402 5.566 -17.811 1.00 30.03 H new ATOM 0 HG23 ILE A 39 -13.833 3.937 -17.372 1.00 30.03 H new ATOM 0 HD11 ILE A 39 -17.131 0.918 -19.152 1.00 21.02 H new ATOM 0 HD12 ILE A 39 -17.695 1.976 -17.837 1.00 21.02 H new ATOM 0 HD13 ILE A 39 -17.784 2.530 -19.526 1.00 21.02 H new ATOM 555 N LYS A 40 -15.420 4.994 -14.877 1.00 1.51 N ATOM 556 CA LYS A 40 -14.813 6.019 -14.036 1.00 22.15 C ATOM 557 C LYS A 40 -13.468 5.549 -13.491 1.00 21.23 C ATOM 558 O LYS A 40 -13.409 4.804 -12.512 1.00 12.31 O ATOM 559 CB LYS A 40 -15.747 6.377 -12.878 1.00 33.34 C ATOM 560 CG LYS A 40 -15.249 7.533 -12.029 1.00 4.24 C ATOM 561 CD LYS A 40 -15.280 7.192 -10.548 1.00 42.32 C ATOM 562 CE LYS A 40 -14.398 8.132 -9.741 1.00 5.20 C ATOM 563 NZ LYS A 40 -15.173 9.268 -9.170 1.00 35.43 N ATOM 0 H LYS A 40 -15.425 4.060 -14.467 1.00 1.51 H new ATOM 0 HA LYS A 40 -14.648 6.905 -14.649 1.00 22.15 H new ATOM 0 HB2 LYS A 40 -16.729 6.629 -13.279 1.00 33.34 H new ATOM 0 HB3 LYS A 40 -15.877 5.501 -12.243 1.00 33.34 H new ATOM 0 HG2 LYS A 40 -14.231 7.789 -12.323 1.00 4.24 H new ATOM 0 HG3 LYS A 40 -15.865 8.413 -12.214 1.00 4.24 H new ATOM 0 HD2 LYS A 40 -16.305 7.249 -10.182 1.00 42.32 H new ATOM 0 HD3 LYS A 40 -14.947 6.164 -10.403 1.00 42.32 H new ATOM 0 HE2 LYS A 40 -13.919 7.577 -8.934 1.00 5.20 H new ATOM 0 HE3 LYS A 40 -13.602 8.519 -10.378 1.00 5.20 H new ATOM 0 HZ1 LYS A 40 -14.536 9.885 -8.627 1.00 35.43 H new ATOM 0 HZ2 LYS A 40 -15.609 9.813 -9.941 1.00 35.43 H new ATOM 0 HZ3 LYS A 40 -15.916 8.900 -8.542 1.00 35.43 H new ATOM 577 N VAL A 41 -12.389 5.989 -14.130 1.00 2.31 N ATOM 578 CA VAL A 41 -11.044 5.616 -13.707 1.00 73.45 C ATOM 579 C VAL A 41 -10.051 6.740 -13.979 1.00 23.41 C ATOM 580 O VAL A 41 -10.210 7.509 -14.927 1.00 64.41 O ATOM 581 CB VAL A 41 -10.566 4.338 -14.423 1.00 42.41 C ATOM 582 CG1 VAL A 41 -9.239 3.869 -13.847 1.00 65.14 C ATOM 583 CG2 VAL A 41 -11.618 3.244 -14.320 1.00 1.51 C ATOM 0 H VAL A 41 -12.420 6.604 -14.943 1.00 2.31 H new ATOM 0 HA VAL A 41 -11.089 5.428 -12.634 1.00 73.45 H new ATOM 0 HB VAL A 41 -10.416 4.567 -15.478 1.00 42.41 H new ATOM 0 HG11 VAL A 41 -8.917 2.965 -14.365 1.00 65.14 H new ATOM 0 HG12 VAL A 41 -8.489 4.649 -13.978 1.00 65.14 H new ATOM 0 HG13 VAL A 41 -9.359 3.656 -12.785 1.00 65.14 H new ATOM 0 HG21 VAL A 41 -11.263 2.349 -14.831 1.00 1.51 H new ATOM 0 HG22 VAL A 41 -11.802 3.014 -13.271 1.00 1.51 H new ATOM 0 HG23 VAL A 41 -12.544 3.584 -14.784 1.00 1.51 H new ATOM 593 N LYS A 42 -9.024 6.829 -13.140 1.00 50.43 N ATOM 594 CA LYS A 42 -8.002 7.858 -13.289 1.00 44.22 C ATOM 595 C LYS A 42 -6.609 7.279 -13.062 1.00 32.55 C ATOM 596 O LYS A 42 -6.090 7.306 -11.946 1.00 20.12 O ATOM 597 CB LYS A 42 -8.255 9.004 -12.307 1.00 52.44 C ATOM 598 CG LYS A 42 -7.130 10.023 -12.258 1.00 24.04 C ATOM 599 CD LYS A 42 -7.658 11.427 -12.015 1.00 32.34 C ATOM 600 CE LYS A 42 -8.449 11.939 -13.208 1.00 73.25 C ATOM 601 NZ LYS A 42 -9.634 12.737 -12.788 1.00 1.03 N ATOM 0 H LYS A 42 -8.878 6.201 -12.350 1.00 50.43 H new ATOM 0 HA LYS A 42 -8.055 8.242 -14.308 1.00 44.22 H new ATOM 0 HB2 LYS A 42 -9.180 9.510 -12.583 1.00 52.44 H new ATOM 0 HB3 LYS A 42 -8.403 8.590 -11.309 1.00 52.44 H new ATOM 0 HG2 LYS A 42 -6.430 9.755 -11.467 1.00 24.04 H new ATOM 0 HG3 LYS A 42 -6.576 9.999 -13.196 1.00 24.04 H new ATOM 0 HD2 LYS A 42 -8.292 11.430 -11.128 1.00 32.34 H new ATOM 0 HD3 LYS A 42 -6.825 12.100 -11.813 1.00 32.34 H new ATOM 0 HE2 LYS A 42 -7.803 12.552 -13.836 1.00 73.25 H new ATOM 0 HE3 LYS A 42 -8.776 11.095 -13.816 1.00 73.25 H new ATOM 0 HZ1 LYS A 42 -10.146 13.068 -13.631 1.00 1.03 H new ATOM 0 HZ2 LYS A 42 -10.264 12.145 -12.210 1.00 1.03 H new ATOM 0 HZ3 LYS A 42 -9.320 13.557 -12.230 1.00 1.03 H new ATOM 615 N SER A 43 -6.009 6.756 -14.126 1.00 74.42 N ATOM 616 CA SER A 43 -4.678 6.167 -14.041 1.00 42.34 C ATOM 617 C SER A 43 -4.095 5.939 -15.433 1.00 32.02 C ATOM 618 O SER A 43 -4.409 4.951 -16.095 1.00 53.02 O ATOM 619 CB SER A 43 -4.729 4.845 -13.274 1.00 74.33 C ATOM 620 OG SER A 43 -3.647 4.004 -13.634 1.00 5.14 O ATOM 0 H SER A 43 -6.424 6.728 -15.057 1.00 74.42 H new ATOM 0 HA SER A 43 -4.033 6.864 -13.505 1.00 42.34 H new ATOM 0 HB2 SER A 43 -4.700 5.042 -12.202 1.00 74.33 H new ATOM 0 HB3 SER A 43 -5.672 4.338 -13.480 1.00 74.33 H new ATOM 0 HG SER A 43 -3.702 3.166 -13.129 1.00 5.14 H new ATOM 626 N GLY A 44 -3.243 6.862 -15.870 1.00 33.32 N ATOM 627 CA GLY A 44 -2.630 6.744 -17.180 1.00 23.04 C ATOM 628 C GLY A 44 -3.654 6.631 -18.291 1.00 62.35 C ATOM 629 O GLY A 44 -4.709 7.263 -18.241 1.00 53.23 O ATOM 0 H GLY A 44 -2.967 7.689 -15.340 1.00 33.32 H new ATOM 0 HA2 GLY A 44 -1.997 7.612 -17.361 1.00 23.04 H new ATOM 0 HA3 GLY A 44 -1.982 5.868 -17.197 1.00 23.04 H new ATOM 633 N THR A 45 -3.342 5.823 -19.301 1.00 15.51 N ATOM 634 CA THR A 45 -4.242 5.632 -20.432 1.00 22.45 C ATOM 635 C THR A 45 -4.664 4.172 -20.557 1.00 1.22 C ATOM 636 O THR A 45 -3.908 3.266 -20.208 1.00 65.45 O ATOM 637 CB THR A 45 -3.588 6.080 -21.752 1.00 41.20 C ATOM 638 OG1 THR A 45 -2.549 5.166 -22.120 1.00 32.32 O ATOM 639 CG2 THR A 45 -3.013 7.483 -21.622 1.00 71.32 C ATOM 0 H THR A 45 -2.474 5.291 -19.358 1.00 15.51 H new ATOM 0 HA THR A 45 -5.122 6.248 -20.244 1.00 22.45 H new ATOM 0 HB THR A 45 -4.355 6.088 -22.527 1.00 41.20 H new ATOM 0 HG1 THR A 45 -2.140 5.458 -22.961 1.00 32.32 H new ATOM 0 HG21 THR A 45 -2.556 7.778 -22.567 1.00 71.32 H new ATOM 0 HG22 THR A 45 -3.811 8.182 -21.371 1.00 71.32 H new ATOM 0 HG23 THR A 45 -2.259 7.496 -20.835 1.00 71.32 H new ATOM 647 N TRP A 46 -5.875 3.952 -21.056 1.00 44.43 N ATOM 648 CA TRP A 46 -6.397 2.601 -21.228 1.00 43.41 C ATOM 649 C TRP A 46 -6.997 2.422 -22.618 1.00 44.33 C ATOM 650 O TRP A 46 -7.429 3.389 -23.247 1.00 31.52 O ATOM 651 CB TRP A 46 -7.451 2.300 -20.162 1.00 0.55 C ATOM 652 CG TRP A 46 -7.455 3.289 -19.035 1.00 23.44 C ATOM 653 CD1 TRP A 46 -6.452 3.508 -18.133 1.00 71.25 C ATOM 654 CD2 TRP A 46 -8.512 4.189 -18.688 1.00 53.31 C ATOM 655 NE1 TRP A 46 -6.823 4.491 -17.248 1.00 21.44 N ATOM 656 CE2 TRP A 46 -8.082 4.926 -17.567 1.00 21.41 C ATOM 657 CE3 TRP A 46 -9.780 4.447 -19.217 1.00 2.11 C ATOM 658 CZ2 TRP A 46 -8.876 5.900 -16.967 1.00 64.50 C ATOM 659 CZ3 TRP A 46 -10.566 5.414 -18.620 1.00 75.22 C ATOM 660 CH2 TRP A 46 -10.112 6.131 -17.505 1.00 52.14 C ATOM 0 H TRP A 46 -6.514 4.691 -21.349 1.00 44.43 H new ATOM 0 HA TRP A 46 -5.568 1.902 -21.118 1.00 43.41 H new ATOM 0 HB2 TRP A 46 -8.436 2.287 -20.628 1.00 0.55 H new ATOM 0 HB3 TRP A 46 -7.276 1.302 -19.760 1.00 0.55 H new ATOM 0 HD1 TRP A 46 -5.507 2.985 -18.118 1.00 71.25 H new ATOM 0 HE1 TRP A 46 -6.253 4.840 -16.478 1.00 21.44 H new ATOM 0 HE3 TRP A 46 -10.139 3.900 -20.077 1.00 2.11 H new ATOM 0 HZ2 TRP A 46 -8.528 6.453 -16.107 1.00 64.50 H new ATOM 0 HZ3 TRP A 46 -11.548 5.621 -19.020 1.00 75.22 H new ATOM 0 HH2 TRP A 46 -10.751 6.881 -17.062 1.00 52.14 H new ATOM 671 N ARG A 47 -7.020 1.181 -23.093 1.00 2.13 N ATOM 672 CA ARG A 47 -7.566 0.877 -24.410 1.00 33.44 C ATOM 673 C ARG A 47 -8.879 0.108 -24.289 1.00 62.20 C ATOM 674 O ARG A 47 -8.898 -1.045 -23.856 1.00 41.31 O ATOM 675 CB ARG A 47 -6.560 0.064 -25.227 1.00 54.43 C ATOM 676 CG ARG A 47 -5.301 0.837 -25.585 1.00 20.34 C ATOM 677 CD ARG A 47 -4.091 0.310 -24.829 1.00 31.11 C ATOM 678 NE ARG A 47 -2.836 0.779 -25.410 1.00 30.11 N ATOM 679 CZ ARG A 47 -1.657 0.220 -25.162 1.00 20.35 C ATOM 680 NH1 ARG A 47 -1.573 -0.823 -24.347 1.00 65.45 N ATOM 681 NH2 ARG A 47 -0.559 0.704 -25.728 1.00 72.34 N ATOM 0 H ARG A 47 -6.667 0.370 -22.585 1.00 2.13 H new ATOM 0 HA ARG A 47 -7.762 1.819 -24.921 1.00 33.44 H new ATOM 0 HB2 ARG A 47 -6.282 -0.826 -24.663 1.00 54.43 H new ATOM 0 HB3 ARG A 47 -7.040 -0.277 -26.144 1.00 54.43 H new ATOM 0 HG2 ARG A 47 -5.121 0.765 -26.658 1.00 20.34 H new ATOM 0 HG3 ARG A 47 -5.443 1.893 -25.356 1.00 20.34 H new ATOM 0 HD2 ARG A 47 -4.149 0.626 -23.787 1.00 31.11 H new ATOM 0 HD3 ARG A 47 -4.107 -0.780 -24.833 1.00 31.11 H new ATOM 0 HE ARG A 47 -2.867 1.580 -26.041 1.00 30.11 H new ATOM 0 HH11 ARG A 47 -2.415 -1.197 -23.909 1.00 65.45 H new ATOM 0 HH12 ARG A 47 -0.667 -1.251 -24.158 1.00 65.45 H new ATOM 0 HH21 ARG A 47 -0.620 1.507 -26.355 1.00 72.34 H new ATOM 0 HH22 ARG A 47 0.346 0.274 -25.536 1.00 72.34 H new ATOM 695 N PHE A 48 -9.974 0.754 -24.674 1.00 74.33 N ATOM 696 CA PHE A 48 -11.292 0.132 -24.608 1.00 63.31 C ATOM 697 C PHE A 48 -11.706 -0.412 -25.972 1.00 65.24 C ATOM 698 O PHE A 48 -11.555 0.260 -26.993 1.00 11.43 O ATOM 699 CB PHE A 48 -12.331 1.139 -24.112 1.00 4.42 C ATOM 700 CG PHE A 48 -12.565 1.078 -22.630 1.00 32.44 C ATOM 701 CD1 PHE A 48 -13.441 0.148 -22.092 1.00 2.14 C ATOM 702 CD2 PHE A 48 -11.910 1.948 -21.774 1.00 41.51 C ATOM 703 CE1 PHE A 48 -13.659 0.090 -20.728 1.00 71.22 C ATOM 704 CE2 PHE A 48 -12.124 1.895 -20.410 1.00 21.44 C ATOM 705 CZ PHE A 48 -12.999 0.963 -19.886 1.00 1.20 C ATOM 0 H PHE A 48 -9.975 1.708 -25.035 1.00 74.33 H new ATOM 0 HA PHE A 48 -11.238 -0.700 -23.906 1.00 63.31 H new ATOM 0 HB2 PHE A 48 -12.007 2.145 -24.379 1.00 4.42 H new ATOM 0 HB3 PHE A 48 -13.274 0.960 -24.628 1.00 4.42 H new ATOM 0 HD1 PHE A 48 -13.959 -0.539 -22.745 1.00 2.14 H new ATOM 0 HD2 PHE A 48 -11.223 2.677 -22.178 1.00 41.51 H new ATOM 0 HE1 PHE A 48 -14.345 -0.638 -20.321 1.00 71.22 H new ATOM 0 HE2 PHE A 48 -11.608 2.581 -19.755 1.00 21.44 H new ATOM 0 HZ PHE A 48 -13.166 0.917 -18.820 1.00 1.20 H new ATOM 715 N TYR A 49 -12.227 -1.634 -25.982 1.00 43.10 N ATOM 716 CA TYR A 49 -12.660 -2.270 -27.220 1.00 63.53 C ATOM 717 C TYR A 49 -13.635 -3.409 -26.936 1.00 3.13 C ATOM 718 O TYR A 49 -13.344 -4.306 -26.145 1.00 40.21 O ATOM 719 CB TYR A 49 -11.452 -2.800 -27.995 1.00 71.24 C ATOM 720 CG TYR A 49 -10.385 -3.407 -27.113 1.00 31.51 C ATOM 721 CD1 TYR A 49 -10.495 -4.716 -26.657 1.00 43.41 C ATOM 722 CD2 TYR A 49 -9.268 -2.673 -26.734 1.00 71.41 C ATOM 723 CE1 TYR A 49 -9.523 -5.275 -25.850 1.00 43.41 C ATOM 724 CE2 TYR A 49 -8.291 -3.225 -25.929 1.00 5.44 C ATOM 725 CZ TYR A 49 -8.422 -4.525 -25.489 1.00 74.30 C ATOM 726 OH TYR A 49 -7.452 -5.078 -24.685 1.00 45.43 O ATOM 0 H TYR A 49 -12.360 -2.204 -25.146 1.00 43.10 H new ATOM 0 HA TYR A 49 -13.171 -1.520 -27.824 1.00 63.53 H new ATOM 0 HB2 TYR A 49 -11.790 -3.550 -28.710 1.00 71.24 H new ATOM 0 HB3 TYR A 49 -11.015 -1.985 -28.571 1.00 71.24 H new ATOM 0 HD1 TYR A 49 -11.355 -5.306 -26.938 1.00 43.41 H new ATOM 0 HD2 TYR A 49 -9.162 -1.654 -27.075 1.00 71.41 H new ATOM 0 HE1 TYR A 49 -9.624 -6.293 -25.504 1.00 43.41 H new ATOM 0 HE2 TYR A 49 -7.428 -2.641 -25.645 1.00 5.44 H new ATOM 0 HH TYR A 49 -7.152 -5.927 -25.072 1.00 45.43 H new ATOM 736 N GLU A 50 -14.793 -3.364 -27.587 1.00 64.53 N ATOM 737 CA GLU A 50 -15.811 -4.392 -27.404 1.00 51.24 C ATOM 738 C GLU A 50 -15.675 -5.487 -28.459 1.00 1.34 C ATOM 739 O GLU A 50 -16.524 -5.624 -29.340 1.00 23.11 O ATOM 740 CB GLU A 50 -17.209 -3.773 -27.473 1.00 70.53 C ATOM 741 CG GLU A 50 -17.771 -3.387 -26.116 1.00 32.25 C ATOM 742 CD GLU A 50 -18.262 -1.953 -26.074 1.00 31.11 C ATOM 743 OE1 GLU A 50 -18.995 -1.550 -27.002 1.00 21.43 O ATOM 744 OE2 GLU A 50 -17.914 -1.234 -25.115 1.00 4.33 O ATOM 0 H GLU A 50 -15.049 -2.628 -28.245 1.00 64.53 H new ATOM 0 HA GLU A 50 -15.667 -4.840 -26.421 1.00 51.24 H new ATOM 0 HB2 GLU A 50 -17.174 -2.888 -28.108 1.00 70.53 H new ATOM 0 HB3 GLU A 50 -17.887 -4.481 -27.950 1.00 70.53 H new ATOM 0 HG2 GLU A 50 -18.594 -4.056 -25.864 1.00 32.25 H new ATOM 0 HG3 GLU A 50 -17.002 -3.526 -25.356 1.00 32.25 H new ATOM 751 N TYR A 51 -14.601 -6.263 -28.361 1.00 52.35 N ATOM 752 CA TYR A 51 -14.351 -7.344 -29.308 1.00 12.54 C ATOM 753 C TYR A 51 -13.043 -8.058 -28.985 1.00 23.42 C ATOM 754 O TYR A 51 -12.377 -7.743 -27.998 1.00 51.51 O ATOM 755 CB TYR A 51 -14.309 -6.799 -30.736 1.00 62.15 C ATOM 756 CG TYR A 51 -15.481 -7.236 -31.586 1.00 11.42 C ATOM 757 CD1 TYR A 51 -15.801 -8.580 -31.725 1.00 34.44 C ATOM 758 CD2 TYR A 51 -16.269 -6.303 -32.249 1.00 11.32 C ATOM 759 CE1 TYR A 51 -16.871 -8.983 -32.500 1.00 71.42 C ATOM 760 CE2 TYR A 51 -17.342 -6.697 -33.025 1.00 44.44 C ATOM 761 CZ TYR A 51 -17.638 -8.038 -33.148 1.00 52.04 C ATOM 762 OH TYR A 51 -18.705 -8.435 -33.921 1.00 35.42 O ATOM 0 H TYR A 51 -13.890 -6.164 -27.636 1.00 52.35 H new ATOM 0 HA TYR A 51 -15.166 -8.063 -29.225 1.00 12.54 H new ATOM 0 HB2 TYR A 51 -14.284 -5.710 -30.700 1.00 62.15 H new ATOM 0 HB3 TYR A 51 -13.384 -7.124 -31.213 1.00 62.15 H new ATOM 0 HD1 TYR A 51 -15.203 -9.323 -31.218 1.00 34.44 H new ATOM 0 HD2 TYR A 51 -16.039 -5.252 -32.156 1.00 11.32 H new ATOM 0 HE1 TYR A 51 -17.106 -10.033 -32.598 1.00 71.42 H new ATOM 0 HE2 TYR A 51 -17.945 -5.959 -33.532 1.00 44.44 H new ATOM 0 HH TYR A 51 -19.141 -7.647 -34.307 1.00 35.42 H new ATOM 772 N ILE A 52 -12.680 -9.023 -29.824 1.00 14.20 N ATOM 773 CA ILE A 52 -11.451 -9.782 -29.630 1.00 12.31 C ATOM 774 C ILE A 52 -10.231 -8.867 -29.648 1.00 55.31 C ATOM 775 O ILE A 52 -10.251 -7.802 -30.264 1.00 62.23 O ATOM 776 CB ILE A 52 -11.282 -10.865 -30.711 1.00 71.51 C ATOM 777 CG1 ILE A 52 -10.257 -11.909 -30.262 1.00 51.02 C ATOM 778 CG2 ILE A 52 -10.862 -10.236 -32.031 1.00 31.01 C ATOM 779 CD1 ILE A 52 -10.664 -12.657 -29.012 1.00 0.21 C ATOM 0 H ILE A 52 -13.220 -9.297 -30.645 1.00 14.20 H new ATOM 0 HA ILE A 52 -11.528 -10.262 -28.655 1.00 12.31 H new ATOM 0 HB ILE A 52 -12.240 -11.363 -30.858 1.00 71.51 H new ATOM 0 HG12 ILE A 52 -10.102 -12.625 -31.069 1.00 51.02 H new ATOM 0 HG13 ILE A 52 -9.301 -11.415 -30.085 1.00 51.02 H new ATOM 0 HG21 ILE A 52 -10.747 -11.015 -32.785 1.00 31.01 H new ATOM 0 HG22 ILE A 52 -11.624 -9.527 -32.355 1.00 31.01 H new ATOM 0 HG23 ILE A 52 -9.914 -9.715 -31.900 1.00 31.01 H new ATOM 0 HD11 ILE A 52 -9.891 -13.380 -28.753 1.00 0.21 H new ATOM 0 HD12 ILE A 52 -10.791 -11.951 -28.191 1.00 0.21 H new ATOM 0 HD13 ILE A 52 -11.604 -13.179 -29.190 1.00 0.21 H new ATOM 791 N ASN A 53 -9.170 -9.291 -28.969 1.00 54.42 N ATOM 792 CA ASN A 53 -7.940 -8.510 -28.908 1.00 51.23 C ATOM 793 C ASN A 53 -7.389 -8.253 -30.307 1.00 62.25 C ATOM 794 O ASN A 53 -6.618 -7.317 -30.520 1.00 64.32 O ATOM 795 CB ASN A 53 -6.893 -9.235 -28.060 1.00 41.34 C ATOM 796 CG ASN A 53 -6.955 -8.835 -26.599 1.00 4.41 C ATOM 797 OD1 ASN A 53 -6.828 -7.658 -26.260 1.00 51.11 O ATOM 798 ND2 ASN A 53 -7.150 -9.815 -25.725 1.00 23.30 N ATOM 0 H ASN A 53 -9.137 -10.171 -28.454 1.00 54.42 H new ATOM 0 HA ASN A 53 -8.171 -7.550 -28.446 1.00 51.23 H new ATOM 0 HB2 ASN A 53 -7.042 -10.311 -28.146 1.00 41.34 H new ATOM 0 HB3 ASN A 53 -5.899 -9.018 -28.451 1.00 41.34 H new ATOM 0 HD21 ASN A 53 -7.200 -9.607 -24.728 1.00 23.30 H new ATOM 0 HD22 ASN A 53 -7.250 -10.776 -26.051 1.00 23.30 H new ATOM 805 N TYR A 54 -7.790 -9.090 -31.258 1.00 10.11 N ATOM 806 CA TYR A 54 -7.335 -8.955 -32.637 1.00 32.23 C ATOM 807 C TYR A 54 -8.519 -8.856 -33.594 1.00 12.23 C ATOM 808 O TYR A 54 -8.917 -9.842 -34.211 1.00 75.53 O ATOM 809 CB TYR A 54 -6.451 -10.143 -33.023 1.00 15.45 C ATOM 810 CG TYR A 54 -6.982 -11.474 -32.540 1.00 45.11 C ATOM 811 CD1 TYR A 54 -6.761 -11.900 -31.236 1.00 63.31 C ATOM 812 CD2 TYR A 54 -7.702 -12.306 -33.388 1.00 11.20 C ATOM 813 CE1 TYR A 54 -7.242 -13.116 -30.791 1.00 34.21 C ATOM 814 CE2 TYR A 54 -8.189 -13.523 -32.951 1.00 42.50 C ATOM 815 CZ TYR A 54 -7.956 -13.923 -31.652 1.00 32.41 C ATOM 816 OH TYR A 54 -8.438 -15.135 -31.213 1.00 72.42 O ATOM 0 H TYR A 54 -8.429 -9.869 -31.099 1.00 10.11 H new ATOM 0 HA TYR A 54 -6.752 -8.037 -32.712 1.00 32.23 H new ATOM 0 HB2 TYR A 54 -6.351 -10.173 -34.108 1.00 15.45 H new ATOM 0 HB3 TYR A 54 -5.452 -9.990 -32.615 1.00 15.45 H new ATOM 0 HD1 TYR A 54 -6.204 -11.270 -30.559 1.00 63.31 H new ATOM 0 HD2 TYR A 54 -7.884 -11.996 -34.406 1.00 11.20 H new ATOM 0 HE1 TYR A 54 -7.060 -13.433 -29.775 1.00 34.21 H new ATOM 0 HE2 TYR A 54 -8.749 -14.157 -33.623 1.00 42.50 H new ATOM 0 HH TYR A 54 -8.919 -15.579 -31.942 1.00 72.42 H new ATOM 826 N GLY A 55 -9.078 -7.655 -33.711 1.00 44.24 N ATOM 827 CA GLY A 55 -10.210 -7.447 -34.595 1.00 0.42 C ATOM 828 C GLY A 55 -11.419 -6.893 -33.867 1.00 31.51 C ATOM 829 O GLY A 55 -12.412 -7.594 -33.677 1.00 31.35 O ATOM 0 H GLY A 55 -8.767 -6.823 -33.210 1.00 44.24 H new ATOM 0 HA2 GLY A 55 -9.924 -6.761 -35.392 1.00 0.42 H new ATOM 0 HA3 GLY A 55 -10.476 -8.392 -35.068 1.00 0.42 H new ATOM 833 N GLY A 56 -11.335 -5.631 -33.457 1.00 30.41 N ATOM 834 CA GLY A 56 -12.437 -5.007 -32.749 1.00 1.44 C ATOM 835 C GLY A 56 -12.364 -3.493 -32.782 1.00 4.12 C ATOM 836 O GLY A 56 -11.462 -2.922 -33.395 1.00 43.21 O ATOM 0 H GLY A 56 -10.524 -5.030 -33.603 1.00 30.41 H new ATOM 0 HA2 GLY A 56 -13.379 -5.332 -33.191 1.00 1.44 H new ATOM 0 HA3 GLY A 56 -12.437 -5.345 -31.713 1.00 1.44 H new ATOM 840 N ARG A 57 -13.316 -2.841 -32.122 1.00 64.31 N ATOM 841 CA ARG A 57 -13.357 -1.385 -32.081 1.00 43.41 C ATOM 842 C ARG A 57 -12.365 -0.841 -31.057 1.00 22.32 C ATOM 843 O ARG A 57 -12.609 -0.896 -29.851 1.00 53.13 O ATOM 844 CB ARG A 57 -14.769 -0.902 -31.745 1.00 30.21 C ATOM 845 CG ARG A 57 -14.909 0.611 -31.732 1.00 3.23 C ATOM 846 CD ARG A 57 -15.205 1.131 -30.334 1.00 0.13 C ATOM 847 NE ARG A 57 -16.099 2.286 -30.357 1.00 72.51 N ATOM 848 CZ ARG A 57 -17.374 2.220 -30.724 1.00 51.22 C ATOM 849 NH1 ARG A 57 -17.902 1.062 -31.096 1.00 42.22 N ATOM 850 NH2 ARG A 57 -18.124 3.315 -30.719 1.00 72.22 N ATOM 0 H ARG A 57 -14.069 -3.299 -31.608 1.00 64.31 H new ATOM 0 HA ARG A 57 -13.077 -1.012 -33.066 1.00 43.41 H new ATOM 0 HB2 ARG A 57 -15.468 -1.317 -32.471 1.00 30.21 H new ATOM 0 HB3 ARG A 57 -15.055 -1.293 -30.769 1.00 30.21 H new ATOM 0 HG2 ARG A 57 -13.991 1.066 -32.104 1.00 3.23 H new ATOM 0 HG3 ARG A 57 -15.709 0.909 -32.409 1.00 3.23 H new ATOM 0 HD2 ARG A 57 -15.655 0.336 -29.739 1.00 0.13 H new ATOM 0 HD3 ARG A 57 -14.271 1.405 -29.844 1.00 0.13 H new ATOM 0 HE ARG A 57 -15.724 3.192 -30.076 1.00 72.51 H new ATOM 0 HH11 ARG A 57 -17.329 0.218 -31.101 1.00 42.22 H new ATOM 0 HH12 ARG A 57 -18.881 1.015 -31.377 1.00 42.22 H new ATOM 0 HH21 ARG A 57 -17.721 4.208 -30.433 1.00 72.22 H new ATOM 0 HH22 ARG A 57 -19.103 3.264 -31.001 1.00 72.22 H new ATOM 864 N TYR A 58 -11.246 -0.318 -31.545 1.00 24.23 N ATOM 865 CA TYR A 58 -10.215 0.232 -30.672 1.00 13.20 C ATOM 866 C TYR A 58 -10.551 1.665 -30.268 1.00 74.45 C ATOM 867 O TYR A 58 -10.801 2.518 -31.119 1.00 53.43 O ATOM 868 CB TYR A 58 -8.854 0.193 -31.368 1.00 24.44 C ATOM 869 CG TYR A 58 -7.801 1.039 -30.687 1.00 73.32 C ATOM 870 CD1 TYR A 58 -7.663 1.032 -29.305 1.00 13.23 C ATOM 871 CD2 TYR A 58 -6.944 1.844 -31.427 1.00 71.13 C ATOM 872 CE1 TYR A 58 -6.704 1.804 -28.679 1.00 42.31 C ATOM 873 CE2 TYR A 58 -5.981 2.618 -30.810 1.00 44.12 C ATOM 874 CZ TYR A 58 -5.865 2.595 -29.436 1.00 3.31 C ATOM 875 OH TYR A 58 -4.907 3.365 -28.817 1.00 24.35 O ATOM 0 H TYR A 58 -11.029 -0.263 -32.540 1.00 24.23 H new ATOM 0 HA TYR A 58 -10.173 -0.380 -29.771 1.00 13.20 H new ATOM 0 HB2 TYR A 58 -8.507 -0.839 -31.411 1.00 24.44 H new ATOM 0 HB3 TYR A 58 -8.972 0.533 -32.397 1.00 24.44 H new ATOM 0 HD1 TYR A 58 -8.317 0.412 -28.710 1.00 13.23 H new ATOM 0 HD2 TYR A 58 -7.032 1.865 -32.503 1.00 71.13 H new ATOM 0 HE1 TYR A 58 -6.612 1.788 -27.603 1.00 42.31 H new ATOM 0 HE2 TYR A 58 -5.322 3.238 -31.400 1.00 44.12 H new ATOM 0 HH TYR A 58 -4.989 3.270 -27.845 1.00 24.35 H new ATOM 885 N TRP A 59 -10.555 1.919 -28.965 1.00 44.41 N ATOM 886 CA TRP A 59 -10.859 3.248 -28.447 1.00 51.52 C ATOM 887 C TRP A 59 -10.220 3.459 -27.079 1.00 42.21 C ATOM 888 O TRP A 59 -10.704 2.944 -26.071 1.00 72.14 O ATOM 889 CB TRP A 59 -12.373 3.447 -28.353 1.00 22.15 C ATOM 890 CG TRP A 59 -12.778 4.434 -27.300 1.00 42.21 C ATOM 891 CD1 TRP A 59 -12.392 5.741 -27.210 1.00 44.03 C ATOM 892 CD2 TRP A 59 -13.646 4.193 -26.187 1.00 63.23 C ATOM 893 NE1 TRP A 59 -12.967 6.327 -26.109 1.00 32.34 N ATOM 894 CE2 TRP A 59 -13.742 5.398 -25.465 1.00 2.32 C ATOM 895 CE3 TRP A 59 -14.353 3.077 -25.732 1.00 63.31 C ATOM 896 CZ2 TRP A 59 -14.515 5.516 -24.313 1.00 71.20 C ATOM 897 CZ3 TRP A 59 -15.119 3.195 -24.589 1.00 34.15 C ATOM 898 CH2 TRP A 59 -15.197 4.407 -23.890 1.00 5.11 C ATOM 0 H TRP A 59 -10.351 1.223 -28.248 1.00 44.41 H new ATOM 0 HA TRP A 59 -10.445 3.983 -29.137 1.00 51.52 H new ATOM 0 HB2 TRP A 59 -12.749 3.783 -29.319 1.00 22.15 H new ATOM 0 HB3 TRP A 59 -12.846 2.488 -28.143 1.00 22.15 H new ATOM 0 HD1 TRP A 59 -11.731 6.241 -27.903 1.00 44.03 H new ATOM 0 HE1 TRP A 59 -12.838 7.296 -25.818 1.00 32.34 H new ATOM 0 HE3 TRP A 59 -14.301 2.139 -26.265 1.00 63.31 H new ATOM 0 HZ2 TRP A 59 -14.574 6.449 -23.772 1.00 71.20 H new ATOM 0 HZ3 TRP A 59 -15.668 2.338 -24.227 1.00 34.15 H new ATOM 0 HH2 TRP A 59 -15.807 4.467 -23.001 1.00 5.11 H new ATOM 909 N ASP A 60 -9.131 4.219 -27.051 1.00 5.03 N ATOM 910 CA ASP A 60 -8.426 4.499 -25.805 1.00 63.20 C ATOM 911 C ASP A 60 -8.730 5.911 -25.314 1.00 21.42 C ATOM 912 O ASP A 60 -9.166 6.767 -26.084 1.00 45.24 O ATOM 913 CB ASP A 60 -6.918 4.326 -25.997 1.00 72.03 C ATOM 914 CG ASP A 60 -6.348 5.301 -27.009 1.00 30.14 C ATOM 915 OD1 ASP A 60 -7.142 6.014 -27.657 1.00 64.13 O ATOM 916 OD2 ASP A 60 -5.108 5.350 -27.152 1.00 12.31 O ATOM 0 H ASP A 60 -8.717 4.652 -27.876 1.00 5.03 H new ATOM 0 HA ASP A 60 -8.772 3.790 -25.053 1.00 63.20 H new ATOM 0 HB2 ASP A 60 -6.415 4.464 -25.040 1.00 72.03 H new ATOM 0 HB3 ASP A 60 -6.711 3.307 -26.322 1.00 72.03 H new ATOM 921 N LEU A 61 -8.499 6.146 -24.027 1.00 43.31 N ATOM 922 CA LEU A 61 -8.749 7.455 -23.432 1.00 21.51 C ATOM 923 C LEU A 61 -7.916 7.646 -22.168 1.00 51.14 C ATOM 924 O LEU A 61 -7.448 6.679 -21.569 1.00 4.41 O ATOM 925 CB LEU A 61 -10.235 7.613 -23.106 1.00 20.42 C ATOM 926 CG LEU A 61 -10.719 6.922 -21.831 1.00 35.24 C ATOM 927 CD1 LEU A 61 -11.237 7.946 -20.833 1.00 34.14 C ATOM 928 CD2 LEU A 61 -11.798 5.898 -22.155 1.00 44.12 C ATOM 0 H LEU A 61 -8.139 5.448 -23.376 1.00 43.31 H new ATOM 0 HA LEU A 61 -8.459 8.217 -24.155 1.00 21.51 H new ATOM 0 HB2 LEU A 61 -10.458 8.677 -23.026 1.00 20.42 H new ATOM 0 HB3 LEU A 61 -10.814 7.229 -23.946 1.00 20.42 H new ATOM 0 HG LEU A 61 -9.874 6.400 -21.381 1.00 35.24 H new ATOM 0 HD11 LEU A 61 -11.577 7.436 -19.932 1.00 34.14 H new ATOM 0 HD12 LEU A 61 -10.437 8.641 -20.577 1.00 34.14 H new ATOM 0 HD13 LEU A 61 -12.068 8.496 -21.274 1.00 34.14 H new ATOM 0 HD21 LEU A 61 -12.130 5.416 -21.235 1.00 44.12 H new ATOM 0 HD22 LEU A 61 -12.643 6.397 -22.629 1.00 44.12 H new ATOM 0 HD23 LEU A 61 -11.394 5.146 -22.833 1.00 44.12 H new ATOM 940 N GLY A 62 -7.738 8.901 -21.768 1.00 5.50 N ATOM 941 CA GLY A 62 -6.963 9.197 -20.577 1.00 12.12 C ATOM 942 C GLY A 62 -7.755 8.983 -19.302 1.00 55.13 C ATOM 943 O GLY A 62 -8.808 8.345 -19.300 1.00 54.14 O ATOM 0 H GLY A 62 -8.116 9.718 -22.247 1.00 5.50 H new ATOM 0 HA2 GLY A 62 -6.074 8.566 -20.559 1.00 12.12 H new ATOM 0 HA3 GLY A 62 -6.619 10.231 -20.618 1.00 12.12 H new ATOM 947 N PRO A 63 -7.245 9.524 -18.186 1.00 33.11 N ATOM 948 CA PRO A 63 -7.896 9.401 -16.878 1.00 41.11 C ATOM 949 C PRO A 63 -9.115 10.308 -16.750 1.00 1.14 C ATOM 950 O PRO A 63 -8.987 11.504 -16.490 1.00 24.31 O ATOM 951 CB PRO A 63 -6.803 9.832 -15.896 1.00 72.25 C ATOM 952 CG PRO A 63 -5.922 10.738 -16.685 1.00 2.25 C ATOM 953 CD PRO A 63 -5.994 10.297 -18.115 1.00 12.25 C ATOM 0 HA PRO A 63 -8.272 8.393 -16.703 1.00 41.11 H new ATOM 0 HB2 PRO A 63 -7.226 10.345 -15.032 1.00 72.25 H new ATOM 0 HB3 PRO A 63 -6.250 8.973 -15.517 1.00 72.25 H new ATOM 0 HG2 PRO A 63 -6.248 11.773 -16.585 1.00 2.25 H new ATOM 0 HG3 PRO A 63 -4.896 10.690 -16.320 1.00 2.25 H new ATOM 0 HD2 PRO A 63 -6.012 11.149 -18.795 1.00 12.25 H new ATOM 0 HD3 PRO A 63 -5.132 9.688 -18.389 1.00 12.25 H new ATOM 961 N GLY A 64 -10.299 9.731 -16.933 1.00 64.30 N ATOM 962 CA GLY A 64 -11.524 10.502 -16.833 1.00 43.22 C ATOM 963 C GLY A 64 -12.757 9.624 -16.754 1.00 1.44 C ATOM 964 O GLY A 64 -12.715 8.451 -17.122 1.00 14.02 O ATOM 0 H GLY A 64 -10.431 8.743 -17.149 1.00 64.30 H new ATOM 0 HA2 GLY A 64 -11.478 11.139 -15.949 1.00 43.22 H new ATOM 0 HA3 GLY A 64 -11.606 11.161 -17.697 1.00 43.22 H new ATOM 968 N GLU A 65 -13.857 10.194 -16.270 1.00 25.42 N ATOM 969 CA GLU A 65 -15.106 9.453 -16.141 1.00 21.11 C ATOM 970 C GLU A 65 -16.095 9.862 -17.228 1.00 75.33 C ATOM 971 O GLU A 65 -16.105 11.009 -17.675 1.00 4.01 O ATOM 972 CB GLU A 65 -15.723 9.686 -14.760 1.00 51.54 C ATOM 973 CG GLU A 65 -17.120 9.106 -14.612 1.00 4.41 C ATOM 974 CD GLU A 65 -18.206 10.099 -14.978 1.00 4.43 C ATOM 975 OE1 GLU A 65 -18.060 11.291 -14.636 1.00 10.51 O ATOM 976 OE2 GLU A 65 -19.201 9.684 -15.606 1.00 75.44 O ATOM 0 H GLU A 65 -13.908 11.165 -15.961 1.00 25.42 H new ATOM 0 HA GLU A 65 -14.883 8.392 -16.257 1.00 21.11 H new ATOM 0 HB2 GLU A 65 -15.074 9.246 -14.003 1.00 51.54 H new ATOM 0 HB3 GLU A 65 -15.761 10.758 -14.564 1.00 51.54 H new ATOM 0 HG2 GLU A 65 -17.212 8.223 -15.245 1.00 4.41 H new ATOM 0 HG3 GLU A 65 -17.266 8.777 -13.583 1.00 4.41 H new ATOM 983 N TYR A 66 -16.926 8.915 -17.650 1.00 34.03 N ATOM 984 CA TYR A 66 -17.918 9.175 -18.687 1.00 31.44 C ATOM 985 C TYR A 66 -19.075 8.185 -18.594 1.00 32.31 C ATOM 986 O TYR A 66 -18.947 7.116 -17.996 1.00 44.32 O ATOM 987 CB TYR A 66 -17.272 9.093 -20.071 1.00 15.31 C ATOM 988 CG TYR A 66 -17.603 7.822 -20.819 1.00 64.33 C ATOM 989 CD1 TYR A 66 -16.999 6.617 -20.482 1.00 22.21 C ATOM 990 CD2 TYR A 66 -18.519 7.825 -21.864 1.00 14.25 C ATOM 991 CE1 TYR A 66 -17.297 5.453 -21.164 1.00 30.14 C ATOM 992 CE2 TYR A 66 -18.825 6.666 -22.550 1.00 22.22 C ATOM 993 CZ TYR A 66 -18.211 5.482 -22.196 1.00 43.45 C ATOM 994 OH TYR A 66 -18.511 4.325 -22.877 1.00 75.20 O ATOM 0 H TYR A 66 -16.932 7.961 -17.290 1.00 34.03 H new ATOM 0 HA TYR A 66 -18.311 10.180 -18.535 1.00 31.44 H new ATOM 0 HB2 TYR A 66 -17.595 9.948 -20.665 1.00 15.31 H new ATOM 0 HB3 TYR A 66 -16.190 9.170 -19.963 1.00 15.31 H new ATOM 0 HD1 TYR A 66 -16.284 6.590 -19.673 1.00 22.21 H new ATOM 0 HD2 TYR A 66 -19.000 8.750 -22.145 1.00 14.25 H new ATOM 0 HE1 TYR A 66 -16.817 4.525 -20.890 1.00 30.14 H new ATOM 0 HE2 TYR A 66 -19.541 6.686 -23.359 1.00 22.22 H new ATOM 0 HH TYR A 66 -17.713 4.007 -23.349 1.00 75.20 H new ATOM 1004 N SER A 67 -20.206 8.548 -19.191 1.00 2.53 N ATOM 1005 CA SER A 67 -21.388 7.695 -19.174 1.00 11.02 C ATOM 1006 C SER A 67 -22.355 8.085 -20.287 1.00 75.12 C ATOM 1007 O SER A 67 -23.418 8.651 -20.031 1.00 73.33 O ATOM 1008 CB SER A 67 -22.090 7.787 -17.817 1.00 60.15 C ATOM 1009 OG SER A 67 -22.573 9.098 -17.581 1.00 21.00 O ATOM 0 H SER A 67 -20.328 9.428 -19.693 1.00 2.53 H new ATOM 0 HA SER A 67 -21.066 6.667 -19.340 1.00 11.02 H new ATOM 0 HB2 SER A 67 -22.918 7.079 -17.784 1.00 60.15 H new ATOM 0 HB3 SER A 67 -21.397 7.503 -17.025 1.00 60.15 H new ATOM 0 HG SER A 67 -23.132 9.381 -18.335 1.00 21.00 H new ATOM 1015 N SER A 68 -21.979 7.778 -21.524 1.00 63.34 N ATOM 1016 CA SER A 68 -22.810 8.099 -22.679 1.00 30.24 C ATOM 1017 C SER A 68 -23.869 7.023 -22.901 1.00 41.34 C ATOM 1018 O SER A 68 -23.889 6.003 -22.212 1.00 51.33 O ATOM 1019 CB SER A 68 -21.945 8.246 -23.932 1.00 2.13 C ATOM 1020 OG SER A 68 -20.972 9.262 -23.763 1.00 42.50 O ATOM 0 H SER A 68 -21.104 7.307 -21.753 1.00 63.34 H new ATOM 0 HA SER A 68 -23.314 9.045 -22.482 1.00 30.24 H new ATOM 0 HB2 SER A 68 -21.452 7.299 -24.151 1.00 2.13 H new ATOM 0 HB3 SER A 68 -22.577 8.482 -24.788 1.00 2.13 H new ATOM 0 HG SER A 68 -20.622 9.529 -24.639 1.00 42.50 H new ATOM 1026 N VAL A 69 -24.748 7.259 -23.870 1.00 15.32 N ATOM 1027 CA VAL A 69 -25.810 6.311 -24.186 1.00 14.54 C ATOM 1028 C VAL A 69 -26.127 6.318 -25.677 1.00 23.40 C ATOM 1029 O VAL A 69 -27.149 5.785 -26.106 1.00 74.32 O ATOM 1030 CB VAL A 69 -27.096 6.626 -23.398 1.00 51.10 C ATOM 1031 CG1 VAL A 69 -27.756 7.887 -23.935 1.00 34.20 C ATOM 1032 CG2 VAL A 69 -28.056 5.447 -23.453 1.00 2.15 C ATOM 0 H VAL A 69 -24.746 8.098 -24.450 1.00 15.32 H new ATOM 0 HA VAL A 69 -25.449 5.324 -23.899 1.00 14.54 H new ATOM 0 HB VAL A 69 -26.830 6.800 -22.356 1.00 51.10 H new ATOM 0 HG11 VAL A 69 -28.663 8.094 -23.366 1.00 34.20 H new ATOM 0 HG12 VAL A 69 -27.068 8.727 -23.839 1.00 34.20 H new ATOM 0 HG13 VAL A 69 -28.011 7.745 -24.985 1.00 34.20 H new ATOM 0 HG21 VAL A 69 -28.959 5.687 -22.891 1.00 2.15 H new ATOM 0 HG22 VAL A 69 -28.318 5.239 -24.490 1.00 2.15 H new ATOM 0 HG23 VAL A 69 -27.579 4.569 -23.017 1.00 2.15 H new ATOM 1042 N GLU A 70 -25.241 6.924 -26.462 1.00 34.22 N ATOM 1043 CA GLU A 70 -25.427 6.999 -27.906 1.00 52.21 C ATOM 1044 C GLU A 70 -24.212 7.631 -28.579 1.00 1.02 C ATOM 1045 O GLU A 70 -24.337 8.318 -29.592 1.00 55.42 O ATOM 1046 CB GLU A 70 -26.685 7.805 -28.239 1.00 63.35 C ATOM 1047 CG GLU A 70 -26.663 9.222 -27.691 1.00 61.35 C ATOM 1048 CD GLU A 70 -27.962 9.964 -27.941 1.00 25.21 C ATOM 1049 OE1 GLU A 70 -28.143 10.483 -29.062 1.00 2.43 O ATOM 1050 OE2 GLU A 70 -28.797 10.024 -27.014 1.00 42.34 O ATOM 0 H GLU A 70 -24.389 7.369 -26.122 1.00 34.22 H new ATOM 0 HA GLU A 70 -25.543 5.984 -28.285 1.00 52.21 H new ATOM 0 HB2 GLU A 70 -26.805 7.845 -29.322 1.00 63.35 H new ATOM 0 HB3 GLU A 70 -27.556 7.284 -27.841 1.00 63.35 H new ATOM 0 HG2 GLU A 70 -26.468 9.190 -26.619 1.00 61.35 H new ATOM 0 HG3 GLU A 70 -25.841 9.772 -28.149 1.00 61.35 H new ATOM 1057 N SER A 71 -23.036 7.393 -28.007 1.00 1.23 N ATOM 1058 CA SER A 71 -21.798 7.942 -28.548 1.00 1.05 C ATOM 1059 C SER A 71 -20.617 7.027 -28.238 1.00 31.12 C ATOM 1060 O SER A 71 -19.462 7.449 -28.283 1.00 11.13 O ATOM 1061 CB SER A 71 -21.541 9.337 -27.975 1.00 5.04 C ATOM 1062 OG SER A 71 -20.639 9.282 -26.883 1.00 64.40 O ATOM 0 H SER A 71 -22.914 6.824 -27.169 1.00 1.23 H new ATOM 0 HA SER A 71 -21.904 8.015 -29.630 1.00 1.05 H new ATOM 0 HB2 SER A 71 -21.136 9.984 -28.753 1.00 5.04 H new ATOM 0 HB3 SER A 71 -22.483 9.780 -27.651 1.00 5.04 H new ATOM 0 HG SER A 71 -19.783 8.911 -27.184 1.00 64.40 H new ATOM 1068 N ALA A 72 -20.917 5.771 -27.923 1.00 63.25 N ATOM 1069 CA ALA A 72 -19.881 4.795 -27.608 1.00 73.51 C ATOM 1070 C ALA A 72 -20.149 3.465 -28.306 1.00 12.42 C ATOM 1071 O ALA A 72 -19.650 2.422 -27.887 1.00 75.40 O ATOM 1072 CB ALA A 72 -19.787 4.593 -26.103 1.00 4.10 C ATOM 0 H ALA A 72 -21.868 5.406 -27.879 1.00 63.25 H new ATOM 0 HA ALA A 72 -18.929 5.182 -27.972 1.00 73.51 H new ATOM 0 HB1 ALA A 72 -19.010 3.862 -25.882 1.00 4.10 H new ATOM 0 HB2 ALA A 72 -19.541 5.540 -25.623 1.00 4.10 H new ATOM 0 HB3 ALA A 72 -20.743 4.232 -25.724 1.00 4.10 H new ATOM 1078 N GLY A 73 -20.941 3.511 -29.373 1.00 13.21 N ATOM 1079 CA GLY A 73 -21.262 2.304 -30.111 1.00 33.41 C ATOM 1080 C GLY A 73 -22.104 1.336 -29.302 1.00 42.42 C ATOM 1081 O GLY A 73 -21.665 0.840 -28.264 1.00 14.31 O ATOM 0 H GLY A 73 -21.366 4.363 -29.739 1.00 13.21 H new ATOM 0 HA2 GLY A 73 -21.796 2.571 -31.023 1.00 33.41 H new ATOM 0 HA3 GLY A 73 -20.338 1.811 -30.415 1.00 33.41 H new ATOM 1085 N ILE A 74 -23.316 1.069 -29.777 1.00 64.10 N ATOM 1086 CA ILE A 74 -24.220 0.155 -29.090 1.00 51.33 C ATOM 1087 C ILE A 74 -24.535 -1.061 -29.955 1.00 44.42 C ATOM 1088 O ILE A 74 -25.670 -1.273 -30.382 1.00 22.34 O ATOM 1089 CB ILE A 74 -25.539 0.852 -28.705 1.00 25.00 C ATOM 1090 CG1 ILE A 74 -25.254 2.215 -28.070 1.00 70.22 C ATOM 1091 CG2 ILE A 74 -26.342 -0.023 -27.755 1.00 73.42 C ATOM 1092 CD1 ILE A 74 -24.487 2.127 -26.769 1.00 51.14 C ATOM 0 H ILE A 74 -23.694 1.472 -30.634 1.00 64.10 H new ATOM 0 HA ILE A 74 -23.711 -0.170 -28.183 1.00 51.33 H new ATOM 0 HB ILE A 74 -26.128 1.009 -29.609 1.00 25.00 H new ATOM 0 HG12 ILE A 74 -24.689 2.824 -28.775 1.00 70.22 H new ATOM 0 HG13 ILE A 74 -26.199 2.728 -27.891 1.00 70.22 H new ATOM 0 HG21 ILE A 74 -27.271 0.483 -27.492 1.00 73.42 H new ATOM 0 HG22 ILE A 74 -26.570 -0.972 -28.240 1.00 73.42 H new ATOM 0 HG23 ILE A 74 -25.761 -0.208 -26.851 1.00 73.42 H new ATOM 0 HD11 ILE A 74 -24.321 3.130 -26.376 1.00 51.14 H new ATOM 0 HD12 ILE A 74 -25.060 1.545 -26.047 1.00 51.14 H new ATOM 0 HD13 ILE A 74 -23.527 1.642 -26.945 1.00 51.14 H new ATOM 1104 N PRO A 75 -23.506 -1.880 -30.220 1.00 73.11 N ATOM 1105 CA PRO A 75 -23.648 -3.091 -31.034 1.00 54.34 C ATOM 1106 C PRO A 75 -23.994 -4.316 -30.196 1.00 34.33 C ATOM 1107 O PRO A 75 -25.050 -4.924 -30.374 1.00 30.32 O ATOM 1108 CB PRO A 75 -22.267 -3.253 -31.673 1.00 42.32 C ATOM 1109 CG PRO A 75 -21.590 -1.945 -31.448 1.00 3.00 C ATOM 1110 CD PRO A 75 -22.126 -1.688 -29.745 1.00 20.34 C ATOM 0 HA PRO A 75 -24.459 -3.003 -31.756 1.00 54.34 H new ATOM 0 HB2 PRO A 75 -21.712 -4.071 -31.213 1.00 42.32 H new ATOM 0 HB3 PRO A 75 -22.347 -3.480 -32.736 1.00 42.32 H new ATOM 0 HG2 PRO A 75 -20.506 -2.002 -31.551 1.00 3.00 H new ATOM 0 HG3 PRO A 75 -21.934 -1.164 -32.126 1.00 3.00 H new ATOM 0 HD2 PRO A 75 -21.771 -2.426 -29.026 1.00 20.34 H new ATOM 0 HD3 PRO A 75 -21.906 -0.705 -29.328 1.00 20.34 H new ATOM 1118 N ASP A 76 -23.099 -4.673 -29.281 1.00 75.32 N ATOM 1119 CA ASP A 76 -23.311 -5.826 -28.413 1.00 52.03 C ATOM 1120 C ASP A 76 -22.145 -5.999 -27.445 1.00 62.05 C ATOM 1121 O ASP A 76 -20.993 -6.114 -27.861 1.00 63.10 O ATOM 1122 CB ASP A 76 -23.489 -7.095 -29.249 1.00 12.40 C ATOM 1123 CG ASP A 76 -24.865 -7.709 -29.083 1.00 53.22 C ATOM 1124 OD1 ASP A 76 -25.397 -7.677 -27.954 1.00 4.42 O ATOM 1125 OD2 ASP A 76 -25.411 -8.222 -30.083 1.00 25.43 O ATOM 0 H ASP A 76 -22.220 -4.181 -29.121 1.00 75.32 H new ATOM 0 HA ASP A 76 -24.218 -5.652 -27.834 1.00 52.03 H new ATOM 0 HB2 ASP A 76 -23.324 -6.860 -30.300 1.00 12.40 H new ATOM 0 HB3 ASP A 76 -22.732 -7.825 -28.962 1.00 12.40 H new ATOM 1130 N ASN A 77 -22.453 -6.015 -26.153 1.00 23.24 N ATOM 1131 CA ASN A 77 -21.430 -6.172 -25.125 1.00 64.42 C ATOM 1132 C ASN A 77 -20.938 -7.615 -25.063 1.00 70.43 C ATOM 1133 O ASN A 77 -21.258 -8.351 -24.130 1.00 21.41 O ATOM 1134 CB ASN A 77 -21.978 -5.750 -23.761 1.00 12.31 C ATOM 1135 CG ASN A 77 -20.878 -5.376 -22.786 1.00 32.30 C ATOM 1136 OD1 ASN A 77 -20.739 -4.214 -22.406 1.00 3.31 O ATOM 1137 ND2 ASN A 77 -20.090 -6.364 -22.377 1.00 14.25 N ATOM 0 H ASN A 77 -23.402 -5.921 -25.792 1.00 23.24 H new ATOM 0 HA ASN A 77 -20.588 -5.530 -25.385 1.00 64.42 H new ATOM 0 HB2 ASN A 77 -22.650 -4.901 -23.889 1.00 12.31 H new ATOM 0 HB3 ASN A 77 -22.569 -6.564 -23.342 1.00 12.31 H new ATOM 0 HD21 ASN A 77 -19.332 -6.174 -21.721 1.00 14.25 H new ATOM 0 HD22 ASN A 77 -20.243 -7.313 -22.719 1.00 14.25 H new ATOM 1144 N SER A 78 -20.158 -8.013 -26.064 1.00 12.43 N ATOM 1145 CA SER A 78 -19.625 -9.368 -26.125 1.00 64.31 C ATOM 1146 C SER A 78 -18.137 -9.352 -26.462 1.00 3.31 C ATOM 1147 O SER A 78 -17.673 -8.510 -27.232 1.00 1.12 O ATOM 1148 CB SER A 78 -20.386 -10.192 -27.166 1.00 5.11 C ATOM 1149 OG SER A 78 -19.849 -11.499 -27.273 1.00 34.31 O ATOM 0 H SER A 78 -19.882 -7.416 -26.843 1.00 12.43 H new ATOM 0 HA SER A 78 -19.753 -9.827 -25.144 1.00 64.31 H new ATOM 0 HB2 SER A 78 -21.439 -10.249 -26.890 1.00 5.11 H new ATOM 0 HB3 SER A 78 -20.337 -9.695 -28.135 1.00 5.11 H new ATOM 0 HG SER A 78 -20.353 -12.006 -27.943 1.00 34.31 H new ATOM 1155 N ILE A 79 -17.394 -10.287 -25.880 1.00 33.34 N ATOM 1156 CA ILE A 79 -15.959 -10.381 -26.118 1.00 75.52 C ATOM 1157 C ILE A 79 -15.277 -9.035 -25.901 1.00 25.51 C ATOM 1158 O ILE A 79 -14.266 -8.731 -26.534 1.00 62.23 O ATOM 1159 CB ILE A 79 -15.657 -10.873 -27.546 1.00 73.21 C ATOM 1160 CG1 ILE A 79 -16.640 -11.975 -27.948 1.00 25.41 C ATOM 1161 CG2 ILE A 79 -14.224 -11.373 -27.642 1.00 24.22 C ATOM 1162 CD1 ILE A 79 -16.393 -12.529 -29.334 1.00 24.12 C ATOM 0 H ILE A 79 -17.762 -10.991 -25.240 1.00 33.34 H new ATOM 0 HA ILE A 79 -15.567 -11.104 -25.403 1.00 75.52 H new ATOM 0 HB ILE A 79 -15.776 -10.037 -28.235 1.00 73.21 H new ATOM 0 HG12 ILE A 79 -16.578 -12.788 -27.224 1.00 25.41 H new ATOM 0 HG13 ILE A 79 -17.655 -11.581 -27.899 1.00 25.41 H new ATOM 0 HG21 ILE A 79 -14.026 -11.717 -28.657 1.00 24.22 H new ATOM 0 HG22 ILE A 79 -13.539 -10.563 -27.393 1.00 24.22 H new ATOM 0 HG23 ILE A 79 -14.079 -12.198 -26.944 1.00 24.22 H new ATOM 0 HD11 ILE A 79 -17.127 -13.305 -29.552 1.00 24.12 H new ATOM 0 HD12 ILE A 79 -16.484 -11.728 -30.068 1.00 24.12 H new ATOM 0 HD13 ILE A 79 -15.390 -12.953 -29.383 1.00 24.12 H new ATOM 1174 N SER A 80 -15.835 -8.233 -25.000 1.00 23.41 N ATOM 1175 CA SER A 80 -15.281 -6.918 -24.700 1.00 22.33 C ATOM 1176 C SER A 80 -14.132 -7.028 -23.701 1.00 55.42 C ATOM 1177 O SER A 80 -14.126 -7.906 -22.839 1.00 72.43 O ATOM 1178 CB SER A 80 -16.369 -5.998 -24.144 1.00 12.01 C ATOM 1179 OG SER A 80 -17.566 -6.113 -24.894 1.00 11.23 O ATOM 0 H SER A 80 -16.670 -8.471 -24.465 1.00 23.41 H new ATOM 0 HA SER A 80 -14.895 -6.493 -25.627 1.00 22.33 H new ATOM 0 HB2 SER A 80 -16.564 -6.249 -23.101 1.00 12.01 H new ATOM 0 HB3 SER A 80 -16.021 -4.965 -24.164 1.00 12.01 H new ATOM 1185 N SER A 81 -13.162 -6.128 -23.825 1.00 2.14 N ATOM 1186 CA SER A 81 -12.005 -6.124 -22.936 1.00 75.31 C ATOM 1187 C SER A 81 -11.315 -4.764 -22.948 1.00 52.25 C ATOM 1188 O SER A 81 -11.336 -4.053 -23.954 1.00 20.32 O ATOM 1189 CB SER A 81 -11.015 -7.215 -23.349 1.00 33.11 C ATOM 1190 OG SER A 81 -10.781 -8.121 -22.284 1.00 51.33 O ATOM 0 H SER A 81 -13.154 -5.393 -24.532 1.00 2.14 H new ATOM 0 HA SER A 81 -12.355 -6.325 -21.923 1.00 75.31 H new ATOM 0 HB2 SER A 81 -11.404 -7.756 -24.212 1.00 33.11 H new ATOM 0 HB3 SER A 81 -10.074 -6.759 -23.656 1.00 33.11 H new ATOM 0 HG SER A 81 -10.146 -8.809 -22.574 1.00 51.33 H new ATOM 1196 N PHE A 82 -10.704 -4.407 -21.824 1.00 22.43 N ATOM 1197 CA PHE A 82 -10.007 -3.132 -21.703 1.00 54.12 C ATOM 1198 C PHE A 82 -8.827 -3.245 -20.743 1.00 31.32 C ATOM 1199 O PHE A 82 -8.951 -3.804 -19.653 1.00 34.11 O ATOM 1200 CB PHE A 82 -10.970 -2.045 -21.220 1.00 42.12 C ATOM 1201 CG PHE A 82 -11.328 -2.164 -19.766 1.00 72.35 C ATOM 1202 CD1 PHE A 82 -12.085 -3.232 -19.311 1.00 61.14 C ATOM 1203 CD2 PHE A 82 -10.908 -1.209 -18.855 1.00 21.20 C ATOM 1204 CE1 PHE A 82 -12.417 -3.344 -17.974 1.00 44.34 C ATOM 1205 CE2 PHE A 82 -11.236 -1.316 -17.517 1.00 12.25 C ATOM 1206 CZ PHE A 82 -11.991 -2.385 -17.076 1.00 22.23 C ATOM 0 H PHE A 82 -10.677 -4.983 -20.983 1.00 22.43 H new ATOM 0 HA PHE A 82 -9.626 -2.860 -22.687 1.00 54.12 H new ATOM 0 HB2 PHE A 82 -10.520 -1.068 -21.396 1.00 42.12 H new ATOM 0 HB3 PHE A 82 -11.882 -2.088 -21.815 1.00 42.12 H new ATOM 0 HD1 PHE A 82 -12.419 -3.985 -20.009 1.00 61.14 H new ATOM 0 HD2 PHE A 82 -10.317 -0.371 -19.194 1.00 21.20 H new ATOM 0 HE1 PHE A 82 -13.009 -4.180 -17.632 1.00 44.34 H new ATOM 0 HE2 PHE A 82 -10.902 -0.564 -16.817 1.00 12.25 H new ATOM 0 HZ PHE A 82 -12.248 -2.471 -16.031 1.00 22.23 H new ATOM 1216 N ARG A 83 -7.682 -2.711 -21.156 1.00 73.50 N ATOM 1217 CA ARG A 83 -6.479 -2.754 -20.334 1.00 41.12 C ATOM 1218 C ARG A 83 -6.058 -1.349 -19.913 1.00 52.23 C ATOM 1219 O ARG A 83 -6.101 -0.413 -20.712 1.00 30.25 O ATOM 1220 CB ARG A 83 -5.339 -3.432 -21.096 1.00 61.41 C ATOM 1221 CG ARG A 83 -5.688 -4.821 -21.605 1.00 33.43 C ATOM 1222 CD ARG A 83 -4.923 -5.899 -20.852 1.00 53.12 C ATOM 1223 NE ARG A 83 -3.478 -5.745 -20.995 1.00 71.34 N ATOM 1224 CZ ARG A 83 -2.594 -6.593 -20.481 1.00 34.30 C ATOM 1225 NH1 ARG A 83 -3.006 -7.649 -19.794 1.00 35.54 N ATOM 1226 NH2 ARG A 83 -1.295 -6.386 -20.654 1.00 53.32 N ATOM 0 H ARG A 83 -7.562 -2.244 -22.055 1.00 73.50 H new ATOM 0 HA ARG A 83 -6.702 -3.332 -19.437 1.00 41.12 H new ATOM 0 HB2 ARG A 83 -5.055 -2.805 -21.941 1.00 61.41 H new ATOM 0 HB3 ARG A 83 -4.468 -3.501 -20.444 1.00 61.41 H new ATOM 0 HG2 ARG A 83 -6.759 -4.991 -21.497 1.00 33.43 H new ATOM 0 HG3 ARG A 83 -5.460 -4.888 -22.669 1.00 33.43 H new ATOM 0 HD2 ARG A 83 -5.189 -5.861 -19.796 1.00 53.12 H new ATOM 0 HD3 ARG A 83 -5.221 -6.880 -21.221 1.00 53.12 H new ATOM 0 HE ARG A 83 -3.128 -4.942 -21.518 1.00 71.34 H new ATOM 0 HH11 ARG A 83 -4.004 -7.812 -19.659 1.00 35.54 H new ATOM 0 HH12 ARG A 83 -2.325 -8.299 -19.400 1.00 35.54 H new ATOM 0 HH21 ARG A 83 -0.974 -5.575 -21.182 1.00 53.32 H new ATOM 0 HH22 ARG A 83 -0.618 -7.038 -20.259 1.00 53.32 H new ATOM 1240 N GLN A 84 -5.653 -1.210 -18.655 1.00 61.01 N ATOM 1241 CA GLN A 84 -5.226 0.081 -18.129 1.00 20.04 C ATOM 1242 C GLN A 84 -3.705 0.157 -18.041 1.00 13.04 C ATOM 1243 O GLN A 84 -3.052 -0.787 -17.596 1.00 62.32 O ATOM 1244 CB GLN A 84 -5.841 0.322 -16.749 1.00 32.50 C ATOM 1245 CG GLN A 84 -7.353 0.166 -16.721 1.00 71.44 C ATOM 1246 CD GLN A 84 -7.797 -1.087 -15.993 1.00 35.14 C ATOM 1247 OE1 GLN A 84 -7.306 -1.268 -14.772 1.00 64.15 O flip ATOM 1248 NE2 GLN A 84 -8.574 -1.884 -16.520 1.00 53.02 N flip ATOM 0 H GLN A 84 -5.612 -1.975 -17.981 1.00 61.01 H new ATOM 0 HA GLN A 84 -5.571 0.856 -18.813 1.00 20.04 H new ATOM 0 HB2 GLN A 84 -5.399 -0.375 -16.037 1.00 32.50 H new ATOM 0 HB3 GLN A 84 -5.581 1.327 -16.415 1.00 32.50 H new ATOM 0 HG2 GLN A 84 -7.795 1.038 -16.239 1.00 71.44 H new ATOM 0 HG3 GLN A 84 -7.731 0.141 -17.743 1.00 71.44 H new ATOM 0 HE21 GLN A 84 -8.927 -1.706 -17.460 1.00 53.02 H new ATOM 0 HE22 GLN A 84 -8.864 -2.722 -16.016 1.00 53.02 H new ATOM 1257 N ILE A 85 -3.149 1.286 -18.467 1.00 23.31 N ATOM 1258 CA ILE A 85 -1.705 1.484 -18.435 1.00 50.42 C ATOM 1259 C ILE A 85 -1.308 2.453 -17.327 1.00 3.14 C ATOM 1260 O ILE A 85 -1.432 3.663 -17.511 1.00 21.14 O ATOM 1261 CB ILE A 85 -1.181 2.019 -19.781 1.00 63.00 C ATOM 1262 CG1 ILE A 85 -1.777 1.218 -20.940 1.00 54.12 C ATOM 1263 CG2 ILE A 85 0.339 1.962 -19.818 1.00 22.13 C ATOM 1264 CD1 ILE A 85 -1.499 -0.266 -20.855 1.00 61.35 C ATOM 0 H ILE A 85 -3.676 2.077 -18.838 1.00 23.31 H new ATOM 0 HA ILE A 85 -1.257 0.510 -18.241 1.00 50.42 H new ATOM 0 HB ILE A 85 -1.489 3.059 -19.886 1.00 63.00 H new ATOM 0 HG12 ILE A 85 -2.855 1.377 -20.964 1.00 54.12 H new ATOM 0 HG13 ILE A 85 -1.377 1.601 -21.879 1.00 54.12 H new ATOM 0 HG21 ILE A 85 0.694 2.343 -20.775 1.00 22.13 H new ATOM 0 HG22 ILE A 85 0.746 2.572 -19.011 1.00 22.13 H new ATOM 0 HG23 ILE A 85 0.668 0.930 -19.694 1.00 22.13 H new ATOM 0 HD11 ILE A 85 -1.951 -0.770 -21.709 1.00 61.35 H new ATOM 0 HD12 ILE A 85 -0.422 -0.435 -20.862 1.00 61.35 H new ATOM 0 HD13 ILE A 85 -1.923 -0.663 -19.933 1.00 61.35 H new TER 1276 ILE A 85 HETATM 1277 CA CA A 126 -22.070 -1.932 -21.716 1.00 52.32 CA HETATM 1278 CA CA A 136 -18.752 -5.398 -26.721 1.00 13.01 CA