USER MOD reduce.3.24.130724 H: found=0, std=0, add=1157, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1157 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 72 SER OG : rot 88:sc= 1.52 USER MOD Set 1.2: A 102 TYR OH : rot 171:sc= 0.321 USER MOD Set 2.1: A 33 ASN : amide:sc= -0.513 K(o=-0.16,f=-5.8!) USER MOD Set 2.2: A 57 LYS NZ :NH3+ -139:sc= 0.139 (180deg=0.261) USER MOD Set 2.3: A 59 ASN : amide:sc= 0.217 K(o=-0.16,f=-2.7) USER MOD Set 3.1: A 24 ASN : amide:sc= 0.101 X(o=0.21,f=0.62) USER MOD Set 3.2: A 25 GLN : amide:sc= 0.108 X(o=0.21,f=0.62) USER MOD Single : A 1 MET CE :methyl -124:sc= -0.405 (180deg=-2.43!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -174:sc= 0.972 (180deg=0.934) USER MOD Single : A 8 ASN : amide:sc= -2.02 X(o=-2,f=-2.3!) USER MOD Single : A 9 THR OG1 : rot 53:sc= -0.734! USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 11 ASN : amide:sc= 0.0185 X(o=0.018,f=-0.2) USER MOD Single : A 16 LYS NZ :NH3+ -174:sc=-0.00321 (180deg=-0.0737) USER MOD Single : A 17 LYS NZ :NH3+ 169:sc= -0.0208 (180deg=-0.17) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -162:sc= 0.935 (180deg=0.551) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.117 USER MOD Single : A 28 GLN : amide:sc= 0.72 K(o=0.72,f=-6.3!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.023) USER MOD Single : A 40 LYS NZ :NH3+ -161:sc= -0.126 (180deg=-0.481) USER MOD Single : A 42 MET CE :methyl 165:sc= -3.3! (180deg=-4.03!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 158:sc= 0.95 (180deg=0.0425) USER MOD Single : A 49 LYS NZ :NH3+ 143:sc= -1.18 (180deg=-3.25!) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.64 F(o=-3.3!,f=-0.64) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -160:sc= -0.111 USER MOD Single : A 61 LYS NZ :NH3+ 161:sc= 0.354 (180deg=0.212) USER MOD Single : A 62 GLN : amide:sc= -0.0109 K(o=-0.011,f=-2.1!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -167:sc= -0.669 (180deg=-1.24) USER MOD Single : A 73 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0534) USER MOD Single : A 76 TYR OH : rot 15:sc= -0.464 USER MOD Single : A 77 LYS NZ :NH3+ -165:sc= 0.388 (180deg=0.311) USER MOD Single : A 85 GLN : amide:sc= 0.0346 X(o=0.035,f=-0.31) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 94 LYS NZ :NH3+ -155:sc= 0.215 (180deg=0.00629) USER MOD Single : A 96 LYS NZ :NH3+ -154:sc= 0.501 (180deg=0.0622) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN :FLIP amide:sc=-0.00739 F(o=-1.2!,f=-0.0074) USER MOD Single : A 106 LYS NZ :NH3+ -169:sc= 0.233 (180deg=0.089) USER MOD Single : A 108 THR OG1 : rot 100:sc= 0.0451 USER MOD Single : A 115 LYS NZ :NH3+ -152:sc= 1.54 (180deg=0.317) USER MOD Single : A 121 MET CE :methyl -125:sc= -0.693 (180deg=-3.43!) USER MOD Single : A 122 GLN : amide:sc= -0.656 K(o=-0.66,f=-4.1!) USER MOD Single : A 123 LYS NZ :NH3+ -167:sc= -0.483 (180deg=-0.687) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 HIS : no HD1:sc= -0.0164 X(o=-0.016,f=0) USER MOD Single : A 130 HIS : no HD1:sc= -0.0234 X(o=-0.023,f=-0.023) USER MOD Single : A 131 HIS : no HD1:sc= -0.424 X(o=-0.42,f=-0.011) USER MOD Single : A 132 HIS : no HD1:sc=-0.000819 X(o=-0.00082,f=-0.00082) USER MOD Single : A 133 HIS : no HD1:sc= -0.041 X(o=-0.041,f=0) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.666 10.816 12.891 1.00 13.13 N ATOM 2 CA MET A 1 3.225 10.364 11.604 1.00 74.54 C ATOM 3 C MET A 1 3.519 8.856 11.657 1.00 62.00 C ATOM 4 O MET A 1 4.125 8.360 12.615 1.00 35.32 O ATOM 5 CB MET A 1 4.510 11.167 11.256 1.00 63.42 C ATOM 6 CG MET A 1 5.198 10.733 9.954 1.00 54.03 C ATOM 7 SD MET A 1 4.080 10.763 8.539 1.00 51.14 S ATOM 8 CE MET A 1 5.137 10.139 7.241 1.00 21.31 C ATOM 0 H1 MET A 1 2.471 11.836 12.845 1.00 13.13 H new ATOM 0 H2 MET A 1 1.783 10.303 13.085 1.00 13.13 H new ATOM 0 H3 MET A 1 3.350 10.628 13.652 1.00 13.13 H new ATOM 0 HA MET A 1 2.491 10.545 10.819 1.00 74.54 H new ATOM 0 HB2 MET A 1 4.254 12.224 11.182 1.00 63.42 H new ATOM 0 HB3 MET A 1 5.219 11.067 12.078 1.00 63.42 H new ATOM 0 HG2 MET A 1 6.045 11.390 9.758 1.00 54.03 H new ATOM 0 HG3 MET A 1 5.598 9.726 10.076 1.00 54.03 H new ATOM 0 HE1 MET A 1 5.169 10.857 6.421 1.00 21.31 H new ATOM 0 HE2 MET A 1 6.143 9.989 7.632 1.00 21.31 H new ATOM 0 HE3 MET A 1 4.744 9.190 6.877 1.00 21.31 H new ATOM 20 N LYS A 2 3.052 8.138 10.628 1.00 11.30 N ATOM 21 CA LYS A 2 3.359 6.713 10.391 1.00 2.25 C ATOM 22 C LYS A 2 3.790 6.573 8.918 1.00 53.42 C ATOM 23 O LYS A 2 3.370 7.380 8.076 1.00 73.10 O ATOM 24 CB LYS A 2 2.110 5.820 10.668 1.00 1.31 C ATOM 25 CG LYS A 2 1.446 6.011 12.050 1.00 30.50 C ATOM 26 CD LYS A 2 0.173 5.146 12.231 1.00 42.13 C ATOM 27 CE LYS A 2 0.474 3.638 12.281 1.00 24.44 C ATOM 28 NZ LYS A 2 1.303 3.273 13.462 1.00 73.42 N ATOM 0 H LYS A 2 2.436 8.536 9.919 1.00 11.30 H new ATOM 0 HA LYS A 2 4.152 6.385 11.063 1.00 2.25 H new ATOM 0 HB2 LYS A 2 1.366 6.018 9.897 1.00 1.31 H new ATOM 0 HB3 LYS A 2 2.403 4.775 10.567 1.00 1.31 H new ATOM 0 HG2 LYS A 2 2.164 5.760 12.831 1.00 30.50 H new ATOM 0 HG3 LYS A 2 1.187 7.062 12.181 1.00 30.50 H new ATOM 0 HD2 LYS A 2 -0.332 5.441 13.151 1.00 42.13 H new ATOM 0 HD3 LYS A 2 -0.516 5.347 11.410 1.00 42.13 H new ATOM 0 HE2 LYS A 2 -0.463 3.082 12.310 1.00 24.44 H new ATOM 0 HE3 LYS A 2 0.992 3.341 11.369 1.00 24.44 H new ATOM 0 HZ1 LYS A 2 1.568 2.269 13.403 1.00 73.42 H new ATOM 0 HZ2 LYS A 2 2.163 3.857 13.476 1.00 73.42 H new ATOM 0 HZ3 LYS A 2 0.758 3.437 14.333 1.00 73.42 H new ATOM 42 N ILE A 3 4.635 5.580 8.604 1.00 74.11 N ATOM 43 CA ILE A 3 5.015 5.274 7.209 1.00 50.52 C ATOM 44 C ILE A 3 4.402 3.923 6.835 1.00 41.04 C ATOM 45 O ILE A 3 4.865 2.874 7.286 1.00 41.55 O ATOM 46 CB ILE A 3 6.575 5.235 7.005 1.00 33.22 C ATOM 47 CG1 ILE A 3 7.233 6.579 7.450 1.00 34.00 C ATOM 48 CG2 ILE A 3 6.935 4.902 5.530 1.00 64.02 C ATOM 49 CD1 ILE A 3 8.758 6.603 7.374 1.00 13.32 C ATOM 0 H ILE A 3 5.071 4.971 9.296 1.00 74.11 H new ATOM 0 HA ILE A 3 4.637 6.067 6.564 1.00 50.52 H new ATOM 0 HB ILE A 3 6.975 4.441 7.636 1.00 33.22 H new ATOM 0 HG12 ILE A 3 6.840 7.383 6.828 1.00 34.00 H new ATOM 0 HG13 ILE A 3 6.931 6.793 8.475 1.00 34.00 H new ATOM 0 HG21 ILE A 3 8.019 4.881 5.416 1.00 64.02 H new ATOM 0 HG22 ILE A 3 6.524 3.928 5.266 1.00 64.02 H new ATOM 0 HG23 ILE A 3 6.515 5.663 4.872 1.00 64.02 H new ATOM 0 HD11 ILE A 3 9.123 7.576 7.702 1.00 13.32 H new ATOM 0 HD12 ILE A 3 9.167 5.825 8.019 1.00 13.32 H new ATOM 0 HD13 ILE A 3 9.074 6.425 6.346 1.00 13.32 H new ATOM 61 N LEU A 4 3.328 3.955 6.048 1.00 54.51 N ATOM 62 CA LEU A 4 2.618 2.744 5.607 1.00 15.45 C ATOM 63 C LEU A 4 2.773 2.588 4.100 1.00 53.04 C ATOM 64 O LEU A 4 2.436 3.494 3.356 1.00 33.14 O ATOM 65 CB LEU A 4 1.108 2.794 6.013 1.00 73.24 C ATOM 66 CG LEU A 4 0.741 2.241 7.435 1.00 44.25 C ATOM 67 CD1 LEU A 4 1.496 2.960 8.563 1.00 51.05 C ATOM 68 CD2 LEU A 4 -0.780 2.303 7.661 1.00 12.21 C ATOM 0 H LEU A 4 2.921 4.821 5.695 1.00 54.51 H new ATOM 0 HA LEU A 4 3.056 1.878 6.102 1.00 15.45 H new ATOM 0 HB2 LEU A 4 0.774 3.830 5.954 1.00 73.24 H new ATOM 0 HB3 LEU A 4 0.538 2.233 5.272 1.00 73.24 H new ATOM 0 HG LEU A 4 1.059 1.199 7.465 1.00 44.25 H new ATOM 0 HD11 LEU A 4 1.203 2.537 9.524 1.00 51.05 H new ATOM 0 HD12 LEU A 4 2.569 2.832 8.422 1.00 51.05 H new ATOM 0 HD13 LEU A 4 1.252 4.022 8.545 1.00 51.05 H new ATOM 0 HD21 LEU A 4 -1.017 1.916 8.652 1.00 12.21 H new ATOM 0 HD22 LEU A 4 -1.117 3.337 7.585 1.00 12.21 H new ATOM 0 HD23 LEU A 4 -1.285 1.701 6.906 1.00 12.21 H new ATOM 80 N ILE A 5 3.301 1.441 3.654 1.00 72.41 N ATOM 81 CA ILE A 5 3.349 1.099 2.226 1.00 2.23 C ATOM 82 C ILE A 5 2.187 0.144 1.930 1.00 10.33 C ATOM 83 O ILE A 5 2.179 -1.008 2.375 1.00 61.51 O ATOM 84 CB ILE A 5 4.721 0.474 1.769 1.00 54.23 C ATOM 85 CG1 ILE A 5 5.894 1.472 2.042 1.00 75.02 C ATOM 86 CG2 ILE A 5 4.675 0.072 0.268 1.00 51.24 C ATOM 87 CD1 ILE A 5 7.259 1.018 1.531 1.00 24.01 C ATOM 0 H ILE A 5 3.703 0.730 4.265 1.00 72.41 H new ATOM 0 HA ILE A 5 3.255 2.021 1.653 1.00 2.23 H new ATOM 0 HB ILE A 5 4.896 -0.430 2.352 1.00 54.23 H new ATOM 0 HG12 ILE A 5 5.651 2.430 1.582 1.00 75.02 H new ATOM 0 HG13 ILE A 5 5.963 1.643 3.116 1.00 75.02 H new ATOM 0 HG21 ILE A 5 5.634 -0.357 -0.023 1.00 51.24 H new ATOM 0 HG22 ILE A 5 3.886 -0.664 0.112 1.00 51.24 H new ATOM 0 HG23 ILE A 5 4.473 0.955 -0.339 1.00 51.24 H new ATOM 0 HD11 ILE A 5 8.006 1.775 1.767 1.00 24.01 H new ATOM 0 HD12 ILE A 5 7.532 0.077 2.009 1.00 24.01 H new ATOM 0 HD13 ILE A 5 7.215 0.877 0.451 1.00 24.01 H new ATOM 99 N LEU A 6 1.206 0.663 1.196 1.00 50.02 N ATOM 100 CA LEU A 6 0.009 -0.060 0.806 1.00 32.14 C ATOM 101 C LEU A 6 0.297 -0.808 -0.506 1.00 61.13 C ATOM 102 O LEU A 6 0.698 -0.193 -1.492 1.00 11.33 O ATOM 103 CB LEU A 6 -1.173 0.948 0.626 1.00 31.23 C ATOM 104 CG LEU A 6 -2.502 0.608 1.354 1.00 14.45 C ATOM 105 CD1 LEU A 6 -3.582 1.669 1.044 1.00 61.32 C ATOM 106 CD2 LEU A 6 -2.985 -0.821 1.013 1.00 2.45 C ATOM 0 H LEU A 6 1.227 1.622 0.850 1.00 50.02 H new ATOM 0 HA LEU A 6 -0.272 -0.780 1.574 1.00 32.14 H new ATOM 0 HB2 LEU A 6 -0.839 1.927 0.969 1.00 31.23 H new ATOM 0 HB3 LEU A 6 -1.383 1.038 -0.440 1.00 31.23 H new ATOM 0 HG LEU A 6 -2.315 0.630 2.428 1.00 14.45 H new ATOM 0 HD11 LEU A 6 -4.505 1.412 1.564 1.00 61.32 H new ATOM 0 HD12 LEU A 6 -3.238 2.647 1.379 1.00 61.32 H new ATOM 0 HD13 LEU A 6 -3.766 1.697 -0.030 1.00 61.32 H new ATOM 0 HD21 LEU A 6 -3.917 -1.025 1.540 1.00 2.45 H new ATOM 0 HD22 LEU A 6 -3.150 -0.903 -0.061 1.00 2.45 H new ATOM 0 HD23 LEU A 6 -2.229 -1.544 1.320 1.00 2.45 H new ATOM 118 N ILE A 7 0.109 -2.128 -0.501 1.00 24.21 N ATOM 119 CA ILE A 7 0.278 -2.970 -1.687 1.00 44.22 C ATOM 120 C ILE A 7 -1.064 -3.589 -2.055 1.00 22.24 C ATOM 121 O ILE A 7 -1.754 -4.155 -1.197 1.00 12.00 O ATOM 122 CB ILE A 7 1.344 -4.104 -1.447 1.00 15.30 C ATOM 123 CG1 ILE A 7 2.730 -3.479 -1.116 1.00 61.41 C ATOM 124 CG2 ILE A 7 1.446 -5.084 -2.653 1.00 60.31 C ATOM 125 CD1 ILE A 7 3.341 -2.619 -2.209 1.00 52.42 C ATOM 0 H ILE A 7 -0.167 -2.647 0.332 1.00 24.21 H new ATOM 0 HA ILE A 7 0.640 -2.345 -2.503 1.00 44.22 H new ATOM 0 HB ILE A 7 1.010 -4.693 -0.593 1.00 15.30 H new ATOM 0 HG12 ILE A 7 2.629 -2.873 -0.216 1.00 61.41 H new ATOM 0 HG13 ILE A 7 3.425 -4.285 -0.882 1.00 61.41 H new ATOM 0 HG21 ILE A 7 2.194 -5.847 -2.439 1.00 60.31 H new ATOM 0 HG22 ILE A 7 0.479 -5.559 -2.818 1.00 60.31 H new ATOM 0 HG23 ILE A 7 1.736 -4.532 -3.547 1.00 60.31 H new ATOM 0 HD11 ILE A 7 4.304 -2.234 -1.874 1.00 52.42 H new ATOM 0 HD12 ILE A 7 3.483 -3.219 -3.108 1.00 52.42 H new ATOM 0 HD13 ILE A 7 2.675 -1.785 -2.431 1.00 52.42 H new ATOM 137 N ASN A 8 -1.427 -3.450 -3.326 1.00 41.54 N ATOM 138 CA ASN A 8 -2.550 -4.161 -3.920 1.00 22.10 C ATOM 139 C ASN A 8 -2.087 -4.684 -5.273 1.00 30.21 C ATOM 140 O ASN A 8 -1.918 -3.910 -6.231 1.00 54.15 O ATOM 141 CB ASN A 8 -3.777 -3.233 -4.078 1.00 22.51 C ATOM 142 CG ASN A 8 -5.060 -3.961 -4.504 1.00 51.14 C ATOM 143 OD1 ASN A 8 -5.041 -5.025 -5.131 1.00 51.43 O ATOM 144 ND2 ASN A 8 -6.196 -3.381 -4.176 1.00 0.44 N ATOM 0 H ASN A 8 -0.943 -2.833 -3.979 1.00 41.54 H new ATOM 0 HA ASN A 8 -2.861 -4.984 -3.276 1.00 22.10 H new ATOM 0 HB2 ASN A 8 -3.958 -2.723 -3.132 1.00 22.51 H new ATOM 0 HB3 ASN A 8 -3.546 -2.464 -4.815 1.00 22.51 H new ATOM 0 HD21 ASN A 8 -7.083 -3.810 -4.440 1.00 0.44 H new ATOM 0 HD22 ASN A 8 -6.189 -2.502 -3.658 1.00 0.44 H new ATOM 151 N THR A 9 -1.826 -5.985 -5.325 1.00 74.05 N ATOM 152 CA THR A 9 -1.524 -6.680 -6.567 1.00 53.41 C ATOM 153 C THR A 9 -2.417 -7.909 -6.716 1.00 71.34 C ATOM 154 O THR A 9 -2.731 -8.594 -5.730 1.00 11.42 O ATOM 155 CB THR A 9 -0.007 -7.055 -6.703 1.00 12.23 C ATOM 156 OG1 THR A 9 0.204 -7.869 -7.870 1.00 54.52 O ATOM 157 CG2 THR A 9 0.557 -7.762 -5.476 1.00 64.21 C ATOM 0 H THR A 9 -1.818 -6.588 -4.503 1.00 74.05 H new ATOM 0 HA THR A 9 -1.737 -5.989 -7.383 1.00 53.41 H new ATOM 0 HB THR A 9 0.530 -6.112 -6.799 1.00 12.23 H new ATOM 0 HG1 THR A 9 -0.173 -7.420 -8.655 1.00 54.52 H new ATOM 0 HG21 THR A 9 1.610 -7.991 -5.640 1.00 64.21 H new ATOM 0 HG22 THR A 9 0.458 -7.114 -4.605 1.00 64.21 H new ATOM 0 HG23 THR A 9 0.007 -8.687 -5.304 1.00 64.21 H new ATOM 165 N ASN A 10 -2.824 -8.160 -7.968 1.00 54.54 N ATOM 166 CA ASN A 10 -3.651 -9.329 -8.334 1.00 34.21 C ATOM 167 C ASN A 10 -2.806 -10.617 -8.285 1.00 34.22 C ATOM 168 O ASN A 10 -3.332 -11.721 -8.109 1.00 72.24 O ATOM 169 CB ASN A 10 -4.237 -9.121 -9.752 1.00 41.45 C ATOM 170 CG ASN A 10 -5.168 -10.240 -10.228 1.00 71.33 C ATOM 171 OD1 ASN A 10 -5.901 -10.842 -9.441 1.00 73.53 O ATOM 172 ND2 ASN A 10 -5.155 -10.513 -11.523 1.00 11.44 N ATOM 0 H ASN A 10 -2.591 -7.560 -8.760 1.00 54.54 H new ATOM 0 HA ASN A 10 -4.469 -9.429 -7.620 1.00 34.21 H new ATOM 0 HB2 ASN A 10 -4.785 -8.179 -9.770 1.00 41.45 H new ATOM 0 HB3 ASN A 10 -3.414 -9.025 -10.460 1.00 41.45 H new ATOM 0 HD21 ASN A 10 -5.764 -11.241 -11.897 1.00 11.44 H new ATOM 0 HD22 ASN A 10 -4.536 -9.996 -12.147 1.00 11.44 H new ATOM 179 N ASN A 11 -1.486 -10.447 -8.435 1.00 22.50 N ATOM 180 CA ASN A 11 -0.528 -11.550 -8.457 1.00 1.01 C ATOM 181 C ASN A 11 -0.168 -11.923 -7.004 1.00 54.51 C ATOM 182 O ASN A 11 0.533 -11.168 -6.317 1.00 3.03 O ATOM 183 CB ASN A 11 0.730 -11.131 -9.269 1.00 24.22 C ATOM 184 CG ASN A 11 0.417 -10.545 -10.655 1.00 72.04 C ATOM 185 OD1 ASN A 11 -0.589 -10.874 -11.288 1.00 1.00 O ATOM 186 ND2 ASN A 11 1.301 -9.687 -11.146 1.00 61.40 N ATOM 0 H ASN A 11 -1.053 -9.530 -8.545 1.00 22.50 H new ATOM 0 HA ASN A 11 -0.960 -12.425 -8.943 1.00 1.01 H new ATOM 0 HB2 ASN A 11 1.292 -10.395 -8.694 1.00 24.22 H new ATOM 0 HB3 ASN A 11 1.376 -12.000 -9.392 1.00 24.22 H new ATOM 0 HD21 ASN A 11 1.158 -9.280 -12.070 1.00 61.40 H new ATOM 0 HD22 ASN A 11 2.124 -9.434 -10.599 1.00 61.40 H new ATOM 193 N ASP A 12 -0.691 -13.070 -6.540 1.00 23.25 N ATOM 194 CA ASP A 12 -0.533 -13.538 -5.141 1.00 31.13 C ATOM 195 C ASP A 12 0.940 -13.846 -4.812 1.00 51.15 C ATOM 196 O ASP A 12 1.402 -13.617 -3.692 1.00 4.14 O ATOM 197 CB ASP A 12 -1.414 -14.793 -4.903 1.00 63.24 C ATOM 198 CG ASP A 12 -1.370 -15.315 -3.452 1.00 13.34 C ATOM 199 OD1 ASP A 12 -2.107 -14.777 -2.596 1.00 4.04 O ATOM 200 OD2 ASP A 12 -0.591 -16.256 -3.155 1.00 24.43 O ATOM 0 H ASP A 12 -1.238 -13.705 -7.121 1.00 23.25 H new ATOM 0 HA ASP A 12 -0.858 -12.738 -4.476 1.00 31.13 H new ATOM 0 HB2 ASP A 12 -2.446 -14.557 -5.164 1.00 63.24 H new ATOM 0 HB3 ASP A 12 -1.089 -15.587 -5.575 1.00 63.24 H new ATOM 205 N GLU A 13 1.663 -14.368 -5.813 1.00 64.20 N ATOM 206 CA GLU A 13 3.088 -14.724 -5.679 1.00 73.51 C ATOM 207 C GLU A 13 3.960 -13.457 -5.632 1.00 35.24 C ATOM 208 O GLU A 13 4.998 -13.440 -4.974 1.00 30.11 O ATOM 209 CB GLU A 13 3.495 -15.657 -6.843 1.00 33.24 C ATOM 210 CG GLU A 13 2.650 -16.939 -6.926 1.00 33.40 C ATOM 211 CD GLU A 13 2.943 -17.781 -8.175 1.00 13.33 C ATOM 212 OE1 GLU A 13 2.587 -17.349 -9.295 1.00 43.14 O ATOM 213 OE2 GLU A 13 3.532 -18.877 -8.049 1.00 4.52 O ATOM 0 H GLU A 13 1.279 -14.556 -6.739 1.00 64.20 H new ATOM 0 HA GLU A 13 3.245 -15.256 -4.741 1.00 73.51 H new ATOM 0 HB2 GLU A 13 3.407 -15.112 -7.783 1.00 33.24 H new ATOM 0 HB3 GLU A 13 4.544 -15.930 -6.730 1.00 33.24 H new ATOM 0 HG2 GLU A 13 2.832 -17.544 -6.038 1.00 33.40 H new ATOM 0 HG3 GLU A 13 1.594 -16.670 -6.917 1.00 33.40 H new ATOM 220 N LEU A 14 3.502 -12.388 -6.314 1.00 55.32 N ATOM 221 CA LEU A 14 4.163 -11.069 -6.276 1.00 71.21 C ATOM 222 C LEU A 14 4.060 -10.466 -4.870 1.00 32.24 C ATOM 223 O LEU A 14 4.992 -9.798 -4.420 1.00 4.14 O ATOM 224 CB LEU A 14 3.540 -10.124 -7.328 1.00 12.04 C ATOM 225 CG LEU A 14 4.066 -8.653 -7.375 1.00 33.33 C ATOM 226 CD1 LEU A 14 5.602 -8.593 -7.507 1.00 21.32 C ATOM 227 CD2 LEU A 14 3.376 -7.872 -8.510 1.00 64.52 C ATOM 0 H LEU A 14 2.669 -12.414 -6.903 1.00 55.32 H new ATOM 0 HA LEU A 14 5.218 -11.197 -6.518 1.00 71.21 H new ATOM 0 HB2 LEU A 14 3.693 -10.568 -8.312 1.00 12.04 H new ATOM 0 HB3 LEU A 14 2.464 -10.092 -7.156 1.00 12.04 H new ATOM 0 HG LEU A 14 3.813 -8.179 -6.426 1.00 33.33 H new ATOM 0 HD11 LEU A 14 5.924 -7.552 -7.536 1.00 21.32 H new ATOM 0 HD12 LEU A 14 6.060 -9.091 -6.653 1.00 21.32 H new ATOM 0 HD13 LEU A 14 5.908 -9.093 -8.426 1.00 21.32 H new ATOM 0 HD21 LEU A 14 3.753 -6.849 -8.530 1.00 64.52 H new ATOM 0 HD22 LEU A 14 3.587 -8.355 -9.464 1.00 64.52 H new ATOM 0 HD23 LEU A 14 2.299 -7.859 -8.340 1.00 64.52 H new ATOM 239 N ILE A 15 2.923 -10.714 -4.185 1.00 71.22 N ATOM 240 CA ILE A 15 2.742 -10.332 -2.772 1.00 30.42 C ATOM 241 C ILE A 15 3.857 -10.954 -1.918 1.00 45.25 C ATOM 242 O ILE A 15 4.541 -10.243 -1.187 1.00 31.12 O ATOM 243 CB ILE A 15 1.337 -10.784 -2.215 1.00 44.32 C ATOM 244 CG1 ILE A 15 0.186 -10.106 -3.016 1.00 53.05 C ATOM 245 CG2 ILE A 15 1.211 -10.498 -0.702 1.00 64.53 C ATOM 246 CD1 ILE A 15 -1.220 -10.567 -2.681 1.00 62.23 C ATOM 0 H ILE A 15 2.113 -11.180 -4.593 1.00 71.22 H new ATOM 0 HA ILE A 15 2.790 -9.245 -2.716 1.00 30.42 H new ATOM 0 HB ILE A 15 1.254 -11.863 -2.348 1.00 44.32 H new ATOM 0 HG12 ILE A 15 0.242 -9.030 -2.853 1.00 53.05 H new ATOM 0 HG13 ILE A 15 0.360 -10.277 -4.078 1.00 53.05 H new ATOM 0 HG21 ILE A 15 0.231 -10.822 -0.351 1.00 64.53 H new ATOM 0 HG22 ILE A 15 1.987 -11.041 -0.163 1.00 64.53 H new ATOM 0 HG23 ILE A 15 1.326 -9.429 -0.523 1.00 64.53 H new ATOM 0 HD11 ILE A 15 -1.937 -10.027 -3.300 1.00 62.23 H new ATOM 0 HD12 ILE A 15 -1.308 -11.636 -2.873 1.00 62.23 H new ATOM 0 HD13 ILE A 15 -1.427 -10.369 -1.629 1.00 62.23 H new ATOM 258 N LYS A 16 4.049 -12.280 -2.091 1.00 70.44 N ATOM 259 CA LYS A 16 5.069 -13.079 -1.366 1.00 4.34 C ATOM 260 C LYS A 16 6.474 -12.449 -1.512 1.00 0.04 C ATOM 261 O LYS A 16 7.254 -12.415 -0.551 1.00 41.43 O ATOM 262 CB LYS A 16 5.093 -14.536 -1.917 1.00 41.05 C ATOM 263 CG LYS A 16 3.734 -15.281 -1.894 1.00 62.00 C ATOM 264 CD LYS A 16 3.253 -15.648 -0.477 1.00 33.34 C ATOM 265 CE LYS A 16 4.208 -16.612 0.254 1.00 64.02 C ATOM 266 NZ LYS A 16 4.458 -17.866 -0.508 1.00 24.30 N ATOM 0 H LYS A 16 3.496 -12.834 -2.744 1.00 70.44 H new ATOM 0 HA LYS A 16 4.802 -13.091 -0.309 1.00 4.34 H new ATOM 0 HB2 LYS A 16 5.457 -14.511 -2.944 1.00 41.05 H new ATOM 0 HB3 LYS A 16 5.814 -15.113 -1.338 1.00 41.05 H new ATOM 0 HG2 LYS A 16 2.980 -14.658 -2.374 1.00 62.00 H new ATOM 0 HG3 LYS A 16 3.819 -16.192 -2.487 1.00 62.00 H new ATOM 0 HD2 LYS A 16 3.146 -14.737 0.111 1.00 33.34 H new ATOM 0 HD3 LYS A 16 2.265 -16.104 -0.542 1.00 33.34 H new ATOM 0 HE2 LYS A 16 5.157 -16.107 0.436 1.00 64.02 H new ATOM 0 HE3 LYS A 16 3.788 -16.862 1.228 1.00 64.02 H new ATOM 0 HZ1 LYS A 16 5.023 -18.518 0.073 1.00 24.30 H new ATOM 0 HZ2 LYS A 16 3.550 -18.313 -0.748 1.00 24.30 H new ATOM 0 HZ3 LYS A 16 4.976 -17.644 -1.382 1.00 24.30 H new ATOM 280 N LYS A 17 6.753 -11.934 -2.729 1.00 60.31 N ATOM 281 CA LYS A 17 8.041 -11.316 -3.083 1.00 33.32 C ATOM 282 C LYS A 17 8.202 -9.946 -2.406 1.00 74.04 C ATOM 283 O LYS A 17 9.220 -9.689 -1.761 1.00 53.13 O ATOM 284 CB LYS A 17 8.155 -11.161 -4.620 1.00 62.52 C ATOM 285 CG LYS A 17 8.038 -12.486 -5.397 1.00 73.42 C ATOM 286 CD LYS A 17 8.078 -12.294 -6.924 1.00 12.35 C ATOM 287 CE LYS A 17 9.439 -11.776 -7.422 1.00 24.51 C ATOM 288 NZ LYS A 17 10.560 -12.691 -7.070 1.00 71.43 N ATOM 0 H LYS A 17 6.082 -11.938 -3.497 1.00 60.31 H new ATOM 0 HA LYS A 17 8.837 -11.970 -2.727 1.00 33.32 H new ATOM 0 HB2 LYS A 17 7.376 -10.481 -4.964 1.00 62.52 H new ATOM 0 HB3 LYS A 17 9.112 -10.696 -4.857 1.00 62.52 H new ATOM 0 HG2 LYS A 17 8.850 -13.149 -5.098 1.00 73.42 H new ATOM 0 HG3 LYS A 17 7.106 -12.980 -5.123 1.00 73.42 H new ATOM 0 HD2 LYS A 17 7.855 -13.243 -7.411 1.00 12.35 H new ATOM 0 HD3 LYS A 17 7.297 -11.593 -7.219 1.00 12.35 H new ATOM 0 HE2 LYS A 17 9.403 -11.650 -8.504 1.00 24.51 H new ATOM 0 HE3 LYS A 17 9.629 -10.792 -6.993 1.00 24.51 H new ATOM 0 HZ1 LYS A 17 11.418 -12.401 -7.580 1.00 71.43 H new ATOM 0 HZ2 LYS A 17 10.735 -12.648 -6.046 1.00 71.43 H new ATOM 0 HZ3 LYS A 17 10.311 -13.665 -7.338 1.00 71.43 H new ATOM 302 N ILE A 18 7.172 -9.086 -2.558 1.00 23.10 N ATOM 303 CA ILE A 18 7.162 -7.701 -2.023 1.00 2.12 C ATOM 304 C ILE A 18 7.306 -7.694 -0.484 1.00 64.41 C ATOM 305 O ILE A 18 7.944 -6.796 0.088 1.00 24.24 O ATOM 306 CB ILE A 18 5.853 -6.938 -2.473 1.00 60.54 C ATOM 307 CG1 ILE A 18 5.861 -6.698 -4.022 1.00 14.03 C ATOM 308 CG2 ILE A 18 5.660 -5.605 -1.707 1.00 42.51 C ATOM 309 CD1 ILE A 18 4.603 -6.043 -4.585 1.00 62.25 C ATOM 0 H ILE A 18 6.317 -9.332 -3.058 1.00 23.10 H new ATOM 0 HA ILE A 18 8.022 -7.175 -2.437 1.00 2.12 H new ATOM 0 HB ILE A 18 5.004 -7.574 -2.222 1.00 60.54 H new ATOM 0 HG12 ILE A 18 6.719 -6.074 -4.272 1.00 14.03 H new ATOM 0 HG13 ILE A 18 6.007 -7.656 -4.521 1.00 14.03 H new ATOM 0 HG21 ILE A 18 4.748 -5.117 -2.050 1.00 42.51 H new ATOM 0 HG22 ILE A 18 5.583 -5.807 -0.639 1.00 42.51 H new ATOM 0 HG23 ILE A 18 6.513 -4.952 -1.892 1.00 42.51 H new ATOM 0 HD11 ILE A 18 4.708 -5.921 -5.663 1.00 62.25 H new ATOM 0 HD12 ILE A 18 3.739 -6.673 -4.374 1.00 62.25 H new ATOM 0 HD13 ILE A 18 4.462 -5.067 -4.121 1.00 62.25 H new ATOM 321 N LYS A 19 6.719 -8.712 0.163 1.00 14.23 N ATOM 322 CA LYS A 19 6.864 -8.939 1.608 1.00 24.44 C ATOM 323 C LYS A 19 8.343 -9.137 1.955 1.00 54.15 C ATOM 324 O LYS A 19 8.867 -8.446 2.807 1.00 32.53 O ATOM 325 CB LYS A 19 6.034 -10.171 2.046 1.00 24.51 C ATOM 326 CG LYS A 19 4.505 -9.987 1.903 1.00 52.44 C ATOM 327 CD LYS A 19 3.719 -11.288 2.181 1.00 22.35 C ATOM 328 CE LYS A 19 3.908 -11.796 3.616 1.00 42.41 C ATOM 329 NZ LYS A 19 3.212 -13.078 3.855 1.00 25.23 N ATOM 0 H LYS A 19 6.129 -9.402 -0.302 1.00 14.23 H new ATOM 0 HA LYS A 19 6.490 -8.067 2.144 1.00 24.44 H new ATOM 0 HB2 LYS A 19 6.342 -11.032 1.453 1.00 24.51 H new ATOM 0 HB3 LYS A 19 6.266 -10.400 3.086 1.00 24.51 H new ATOM 0 HG2 LYS A 19 4.171 -9.211 2.592 1.00 52.44 H new ATOM 0 HG3 LYS A 19 4.278 -9.638 0.896 1.00 52.44 H new ATOM 0 HD2 LYS A 19 2.659 -11.114 1.998 1.00 22.35 H new ATOM 0 HD3 LYS A 19 4.041 -12.059 1.481 1.00 22.35 H new ATOM 0 HE2 LYS A 19 4.972 -11.920 3.818 1.00 42.41 H new ATOM 0 HE3 LYS A 19 3.536 -11.048 4.316 1.00 42.41 H new ATOM 0 HZ1 LYS A 19 3.369 -13.380 4.838 1.00 25.23 H new ATOM 0 HZ2 LYS A 19 2.193 -12.956 3.689 1.00 25.23 H new ATOM 0 HZ3 LYS A 19 3.584 -13.801 3.207 1.00 25.23 H new ATOM 343 N LYS A 20 9.015 -10.046 1.227 1.00 60.43 N ATOM 344 CA LYS A 20 10.446 -10.367 1.445 1.00 52.33 C ATOM 345 C LYS A 20 11.367 -9.170 1.127 1.00 72.52 C ATOM 346 O LYS A 20 12.454 -9.050 1.711 1.00 11.52 O ATOM 347 CB LYS A 20 10.841 -11.622 0.620 1.00 41.23 C ATOM 348 CG LYS A 20 10.135 -12.917 1.101 1.00 54.32 C ATOM 349 CD LYS A 20 10.613 -13.368 2.515 1.00 23.32 C ATOM 350 CE LYS A 20 9.697 -14.423 3.160 1.00 5.51 C ATOM 351 NZ LYS A 20 8.355 -13.860 3.460 1.00 74.13 N ATOM 0 H LYS A 20 8.587 -10.581 0.471 1.00 60.43 H new ATOM 0 HA LYS A 20 10.583 -10.587 2.504 1.00 52.33 H new ATOM 0 HB2 LYS A 20 10.597 -11.451 -0.429 1.00 41.23 H new ATOM 0 HB3 LYS A 20 11.920 -11.762 0.678 1.00 41.23 H new ATOM 0 HG2 LYS A 20 9.057 -12.754 1.120 1.00 54.32 H new ATOM 0 HG3 LYS A 20 10.323 -13.717 0.385 1.00 54.32 H new ATOM 0 HD2 LYS A 20 11.622 -13.772 2.438 1.00 23.32 H new ATOM 0 HD3 LYS A 20 10.667 -12.497 3.167 1.00 23.32 H new ATOM 0 HE2 LYS A 20 9.594 -15.277 2.491 1.00 5.51 H new ATOM 0 HE3 LYS A 20 10.153 -14.791 4.079 1.00 5.51 H new ATOM 0 HZ1 LYS A 20 7.870 -14.468 4.151 1.00 74.13 H new ATOM 0 HZ2 LYS A 20 8.460 -12.903 3.854 1.00 74.13 H new ATOM 0 HZ3 LYS A 20 7.794 -13.814 2.585 1.00 74.13 H new ATOM 365 N GLU A 21 10.923 -8.297 0.198 1.00 44.05 N ATOM 366 CA GLU A 21 11.612 -7.032 -0.119 1.00 2.54 C ATOM 367 C GLU A 21 11.637 -6.113 1.115 1.00 60.55 C ATOM 368 O GLU A 21 12.708 -5.683 1.557 1.00 73.10 O ATOM 369 CB GLU A 21 10.922 -6.298 -1.312 1.00 34.43 C ATOM 370 CG GLU A 21 10.954 -7.056 -2.657 1.00 61.12 C ATOM 371 CD GLU A 21 12.379 -7.285 -3.180 1.00 73.20 C ATOM 372 OE1 GLU A 21 12.952 -6.347 -3.772 1.00 73.02 O ATOM 373 OE2 GLU A 21 12.937 -8.389 -2.993 1.00 53.53 O ATOM 0 H GLU A 21 10.078 -8.451 -0.352 1.00 44.05 H new ATOM 0 HA GLU A 21 12.635 -7.272 -0.409 1.00 2.54 H new ATOM 0 HB2 GLU A 21 9.883 -6.105 -1.047 1.00 34.43 H new ATOM 0 HB3 GLU A 21 11.402 -5.329 -1.448 1.00 34.43 H new ATOM 0 HG2 GLU A 21 10.457 -8.019 -2.538 1.00 61.12 H new ATOM 0 HG3 GLU A 21 10.386 -6.494 -3.399 1.00 61.12 H new ATOM 380 N VAL A 22 10.451 -5.857 1.686 1.00 62.21 N ATOM 381 CA VAL A 22 10.295 -4.883 2.783 1.00 61.31 C ATOM 382 C VAL A 22 10.792 -5.449 4.126 1.00 23.22 C ATOM 383 O VAL A 22 11.249 -4.689 4.964 1.00 35.20 O ATOM 384 CB VAL A 22 8.817 -4.376 2.915 1.00 64.52 C ATOM 385 CG1 VAL A 22 8.317 -3.779 1.584 1.00 1.43 C ATOM 386 CG2 VAL A 22 7.871 -5.484 3.425 1.00 42.33 C ATOM 0 H VAL A 22 9.581 -6.311 1.407 1.00 62.21 H new ATOM 0 HA VAL A 22 10.919 -4.028 2.525 1.00 61.31 H new ATOM 0 HB VAL A 22 8.810 -3.583 3.663 1.00 64.52 H new ATOM 0 HG11 VAL A 22 7.290 -3.435 1.703 1.00 1.43 H new ATOM 0 HG12 VAL A 22 8.951 -2.938 1.301 1.00 1.43 H new ATOM 0 HG13 VAL A 22 8.357 -4.541 0.806 1.00 1.43 H new ATOM 0 HG21 VAL A 22 6.858 -5.090 3.502 1.00 42.33 H new ATOM 0 HG22 VAL A 22 7.883 -6.322 2.728 1.00 42.33 H new ATOM 0 HG23 VAL A 22 8.204 -5.823 4.406 1.00 42.33 H new ATOM 396 N GLU A 23 10.701 -6.787 4.311 1.00 64.55 N ATOM 397 CA GLU A 23 11.220 -7.485 5.511 1.00 42.41 C ATOM 398 C GLU A 23 12.740 -7.293 5.608 1.00 63.22 C ATOM 399 O GLU A 23 13.281 -7.047 6.690 1.00 44.34 O ATOM 400 CB GLU A 23 10.861 -9.001 5.474 1.00 25.53 C ATOM 401 CG GLU A 23 9.378 -9.309 5.750 1.00 13.45 C ATOM 402 CD GLU A 23 9.024 -10.799 5.598 1.00 35.42 C ATOM 403 OE1 GLU A 23 9.369 -11.597 6.500 1.00 71.23 O ATOM 404 OE2 GLU A 23 8.402 -11.187 4.581 1.00 32.33 O ATOM 0 H GLU A 23 10.266 -7.413 3.633 1.00 64.55 H new ATOM 0 HA GLU A 23 10.750 -7.053 6.395 1.00 42.41 H new ATOM 0 HB2 GLU A 23 11.127 -9.401 4.496 1.00 25.53 H new ATOM 0 HB3 GLU A 23 11.472 -9.525 6.209 1.00 25.53 H new ATOM 0 HG2 GLU A 23 9.130 -8.986 6.761 1.00 13.45 H new ATOM 0 HG3 GLU A 23 8.760 -8.725 5.068 1.00 13.45 H new ATOM 411 N ASN A 24 13.400 -7.373 4.441 1.00 32.20 N ATOM 412 CA ASN A 24 14.840 -7.105 4.291 1.00 13.52 C ATOM 413 C ASN A 24 15.168 -5.635 4.654 1.00 11.42 C ATOM 414 O ASN A 24 16.197 -5.352 5.277 1.00 40.04 O ATOM 415 CB ASN A 24 15.263 -7.441 2.834 1.00 43.25 C ATOM 416 CG ASN A 24 16.750 -7.238 2.560 1.00 62.22 C ATOM 417 OD1 ASN A 24 17.171 -6.187 2.079 1.00 13.13 O ATOM 418 ND2 ASN A 24 17.559 -8.234 2.889 1.00 63.11 N ATOM 0 H ASN A 24 12.944 -7.628 3.565 1.00 32.20 H new ATOM 0 HA ASN A 24 15.405 -7.734 4.979 1.00 13.52 H new ATOM 0 HB2 ASN A 24 15.002 -8.478 2.620 1.00 43.25 H new ATOM 0 HB3 ASN A 24 14.689 -6.820 2.147 1.00 43.25 H new ATOM 0 HD21 ASN A 24 18.565 -8.143 2.746 1.00 63.11 H new ATOM 0 HD22 ASN A 24 17.176 -9.092 3.286 1.00 63.11 H new ATOM 425 N GLN A 25 14.256 -4.712 4.282 1.00 14.12 N ATOM 426 CA GLN A 25 14.396 -3.262 4.566 1.00 32.21 C ATOM 427 C GLN A 25 13.948 -2.911 6.017 1.00 11.23 C ATOM 428 O GLN A 25 14.199 -1.797 6.493 1.00 44.24 O ATOM 429 CB GLN A 25 13.585 -2.438 3.527 1.00 50.13 C ATOM 430 CG GLN A 25 13.945 -2.704 2.044 1.00 12.04 C ATOM 431 CD GLN A 25 15.405 -2.397 1.679 1.00 41.32 C ATOM 432 OE1 GLN A 25 15.743 -1.273 1.316 1.00 42.41 O ATOM 433 NE2 GLN A 25 16.269 -3.403 1.739 1.00 50.15 N ATOM 0 H GLN A 25 13.402 -4.947 3.777 1.00 14.12 H new ATOM 0 HA GLN A 25 15.452 -3.003 4.483 1.00 32.21 H new ATOM 0 HB2 GLN A 25 12.525 -2.647 3.669 1.00 50.13 H new ATOM 0 HB3 GLN A 25 13.731 -1.378 3.735 1.00 50.13 H new ATOM 0 HG2 GLN A 25 13.738 -3.749 1.815 1.00 12.04 H new ATOM 0 HG3 GLN A 25 13.291 -2.104 1.411 1.00 12.04 H new ATOM 0 HE21 GLN A 25 15.958 -4.325 2.045 1.00 50.15 H new ATOM 0 HE22 GLN A 25 17.244 -3.254 1.480 1.00 50.15 H new ATOM 442 N GLY A 26 13.271 -3.861 6.698 1.00 54.10 N ATOM 443 CA GLY A 26 12.906 -3.720 8.120 1.00 30.21 C ATOM 444 C GLY A 26 11.497 -3.158 8.357 1.00 20.14 C ATOM 445 O GLY A 26 11.289 -2.358 9.275 1.00 11.35 O ATOM 0 H GLY A 26 12.965 -4.740 6.279 1.00 54.10 H new ATOM 0 HA2 GLY A 26 12.981 -4.695 8.601 1.00 30.21 H new ATOM 0 HA3 GLY A 26 13.631 -3.068 8.606 1.00 30.21 H new ATOM 449 N TYR A 27 10.534 -3.570 7.516 1.00 60.22 N ATOM 450 CA TYR A 27 9.107 -3.185 7.642 1.00 13.02 C ATOM 451 C TYR A 27 8.298 -4.334 8.264 1.00 3.32 C ATOM 452 O TYR A 27 8.549 -5.511 7.976 1.00 31.31 O ATOM 453 CB TYR A 27 8.488 -2.820 6.256 1.00 35.33 C ATOM 454 CG TYR A 27 8.910 -1.455 5.691 1.00 72.23 C ATOM 455 CD1 TYR A 27 10.253 -1.149 5.464 1.00 70.24 C ATOM 456 CD2 TYR A 27 7.960 -0.470 5.396 1.00 44.32 C ATOM 457 CE1 TYR A 27 10.631 0.079 4.974 1.00 10.34 C ATOM 458 CE2 TYR A 27 8.336 0.760 4.900 1.00 12.25 C ATOM 459 CZ TYR A 27 9.671 1.036 4.694 1.00 51.35 C ATOM 460 OH TYR A 27 10.050 2.268 4.212 1.00 0.41 O ATOM 0 H TYR A 27 10.719 -4.184 6.722 1.00 60.22 H new ATOM 0 HA TYR A 27 9.063 -2.307 8.287 1.00 13.02 H new ATOM 0 HB2 TYR A 27 8.763 -3.593 5.538 1.00 35.33 H new ATOM 0 HB3 TYR A 27 7.402 -2.839 6.345 1.00 35.33 H new ATOM 0 HD1 TYR A 27 11.009 -1.890 5.677 1.00 70.24 H new ATOM 0 HD2 TYR A 27 6.913 -0.678 5.560 1.00 44.32 H new ATOM 0 HE1 TYR A 27 11.676 0.296 4.808 1.00 10.34 H new ATOM 0 HE2 TYR A 27 7.587 1.505 4.674 1.00 12.25 H new ATOM 0 HH TYR A 27 9.254 2.821 4.067 1.00 0.41 H new ATOM 470 N GLN A 28 7.305 -3.963 9.083 1.00 11.00 N ATOM 471 CA GLN A 28 6.345 -4.906 9.670 1.00 72.42 C ATOM 472 C GLN A 28 5.284 -5.236 8.618 1.00 20.22 C ATOM 473 O GLN A 28 4.512 -4.357 8.230 1.00 63.21 O ATOM 474 CB GLN A 28 5.662 -4.250 10.907 1.00 31.15 C ATOM 475 CG GLN A 28 4.640 -5.147 11.635 1.00 63.00 C ATOM 476 CD GLN A 28 3.764 -4.372 12.615 1.00 54.45 C ATOM 477 OE1 GLN A 28 2.684 -3.903 12.258 1.00 3.34 O ATOM 478 NE2 GLN A 28 4.234 -4.202 13.837 1.00 13.22 N ATOM 0 H GLN A 28 7.145 -2.994 9.358 1.00 11.00 H new ATOM 0 HA GLN A 28 6.858 -5.815 9.985 1.00 72.42 H new ATOM 0 HB2 GLN A 28 6.435 -3.955 11.617 1.00 31.15 H new ATOM 0 HB3 GLN A 28 5.159 -3.338 10.585 1.00 31.15 H new ATOM 0 HG2 GLN A 28 4.005 -5.638 10.898 1.00 63.00 H new ATOM 0 HG3 GLN A 28 5.171 -5.932 12.173 1.00 63.00 H new ATOM 0 HE21 GLN A 28 5.134 -4.605 14.098 1.00 13.22 H new ATOM 0 HE22 GLN A 28 3.697 -3.667 14.520 1.00 13.22 H new ATOM 487 N VAL A 29 5.241 -6.488 8.147 1.00 21.54 N ATOM 488 CA VAL A 29 4.204 -6.914 7.199 1.00 43.32 C ATOM 489 C VAL A 29 2.906 -7.211 7.964 1.00 64.34 C ATOM 490 O VAL A 29 2.880 -8.073 8.850 1.00 24.14 O ATOM 491 CB VAL A 29 4.621 -8.157 6.340 1.00 30.40 C ATOM 492 CG1 VAL A 29 3.519 -8.493 5.300 1.00 14.11 C ATOM 493 CG2 VAL A 29 5.982 -7.919 5.640 1.00 41.11 C ATOM 0 H VAL A 29 5.905 -7.218 8.404 1.00 21.54 H new ATOM 0 HA VAL A 29 4.054 -6.094 6.497 1.00 43.32 H new ATOM 0 HB VAL A 29 4.735 -9.009 7.010 1.00 30.40 H new ATOM 0 HG11 VAL A 29 3.825 -9.358 4.712 1.00 14.11 H new ATOM 0 HG12 VAL A 29 2.586 -8.717 5.818 1.00 14.11 H new ATOM 0 HG13 VAL A 29 3.371 -7.639 4.639 1.00 14.11 H new ATOM 0 HG21 VAL A 29 6.247 -8.797 5.051 1.00 41.11 H new ATOM 0 HG22 VAL A 29 5.907 -7.051 4.984 1.00 41.11 H new ATOM 0 HG23 VAL A 29 6.751 -7.741 6.391 1.00 41.11 H new ATOM 503 N ARG A 30 1.855 -6.464 7.627 1.00 63.41 N ATOM 504 CA ARG A 30 0.521 -6.600 8.212 1.00 40.22 C ATOM 505 C ARG A 30 -0.477 -6.890 7.067 1.00 32.42 C ATOM 506 O ARG A 30 -0.454 -6.219 6.025 1.00 52.52 O ATOM 507 CB ARG A 30 0.174 -5.304 8.986 1.00 33.15 C ATOM 508 CG ARG A 30 -1.067 -5.394 9.887 1.00 25.11 C ATOM 509 CD ARG A 30 -1.413 -4.069 10.591 1.00 63.11 C ATOM 510 NE ARG A 30 -0.360 -3.631 11.531 1.00 22.51 N ATOM 511 CZ ARG A 30 -0.584 -3.127 12.759 1.00 53.10 C ATOM 512 NH1 ARG A 30 -1.824 -2.996 13.231 1.00 11.35 N ATOM 513 NH2 ARG A 30 0.437 -2.742 13.507 1.00 5.23 N ATOM 0 H ARG A 30 1.909 -5.729 6.922 1.00 63.41 H new ATOM 0 HA ARG A 30 0.474 -7.424 8.924 1.00 40.22 H new ATOM 0 HB2 ARG A 30 1.030 -5.026 9.601 1.00 33.15 H new ATOM 0 HB3 ARG A 30 0.024 -4.499 8.267 1.00 33.15 H new ATOM 0 HG2 ARG A 30 -1.920 -5.711 9.287 1.00 25.11 H new ATOM 0 HG3 ARG A 30 -0.904 -6.165 10.640 1.00 25.11 H new ATOM 0 HD2 ARG A 30 -1.570 -3.294 9.841 1.00 63.11 H new ATOM 0 HD3 ARG A 30 -2.352 -4.184 11.132 1.00 63.11 H new ATOM 0 HE ARG A 30 0.610 -3.717 11.226 1.00 22.51 H new ATOM 0 HH11 ARG A 30 -2.620 -3.280 12.659 1.00 11.35 H new ATOM 0 HH12 ARG A 30 -1.977 -2.612 14.164 1.00 11.35 H new ATOM 0 HH21 ARG A 30 1.390 -2.828 13.153 1.00 5.23 H new ATOM 0 HH22 ARG A 30 0.272 -2.360 14.438 1.00 5.23 H new ATOM 527 N ASP A 31 -1.343 -7.890 7.274 1.00 12.14 N ATOM 528 CA ASP A 31 -2.120 -8.549 6.203 1.00 21.10 C ATOM 529 C ASP A 31 -3.628 -8.246 6.314 1.00 25.14 C ATOM 530 O ASP A 31 -4.268 -8.622 7.301 1.00 43.14 O ATOM 531 CB ASP A 31 -1.842 -10.078 6.299 1.00 15.31 C ATOM 532 CG ASP A 31 -2.741 -10.966 5.413 1.00 21.24 C ATOM 533 OD1 ASP A 31 -2.572 -10.962 4.181 1.00 4.24 O ATOM 534 OD2 ASP A 31 -3.589 -11.710 5.959 1.00 11.43 O ATOM 0 H ASP A 31 -1.530 -8.273 8.201 1.00 12.14 H new ATOM 0 HA ASP A 31 -1.810 -8.164 5.231 1.00 21.10 H new ATOM 0 HB2 ASP A 31 -0.801 -10.259 6.030 1.00 15.31 H new ATOM 0 HB3 ASP A 31 -1.962 -10.388 7.337 1.00 15.31 H new ATOM 539 N VAL A 32 -4.180 -7.559 5.290 1.00 32.22 N ATOM 540 CA VAL A 32 -5.637 -7.340 5.134 1.00 60.22 C ATOM 541 C VAL A 32 -6.166 -8.245 4.001 1.00 10.25 C ATOM 542 O VAL A 32 -5.685 -8.158 2.863 1.00 44.14 O ATOM 543 CB VAL A 32 -5.992 -5.840 4.767 1.00 33.03 C ATOM 544 CG1 VAL A 32 -7.523 -5.605 4.794 1.00 34.44 C ATOM 545 CG2 VAL A 32 -5.261 -4.831 5.681 1.00 11.43 C ATOM 0 H VAL A 32 -3.626 -7.138 4.544 1.00 32.22 H new ATOM 0 HA VAL A 32 -6.101 -7.577 6.092 1.00 60.22 H new ATOM 0 HB VAL A 32 -5.640 -5.668 3.750 1.00 33.03 H new ATOM 0 HG11 VAL A 32 -7.736 -4.567 4.538 1.00 34.44 H new ATOM 0 HG12 VAL A 32 -8.005 -6.263 4.071 1.00 34.44 H new ATOM 0 HG13 VAL A 32 -7.906 -5.819 5.792 1.00 34.44 H new ATOM 0 HG21 VAL A 32 -5.534 -3.816 5.394 1.00 11.43 H new ATOM 0 HG22 VAL A 32 -5.549 -5.004 6.718 1.00 11.43 H new ATOM 0 HG23 VAL A 32 -4.184 -4.960 5.577 1.00 11.43 H new ATOM 555 N ASN A 33 -7.133 -9.124 4.317 1.00 32.03 N ATOM 556 CA ASN A 33 -7.812 -9.974 3.311 1.00 34.12 C ATOM 557 C ASN A 33 -9.296 -9.600 3.164 1.00 63.02 C ATOM 558 O ASN A 33 -9.884 -9.823 2.102 1.00 25.43 O ATOM 559 CB ASN A 33 -7.674 -11.471 3.686 1.00 24.23 C ATOM 560 CG ASN A 33 -6.224 -11.948 3.748 1.00 55.33 C ATOM 561 OD1 ASN A 33 -5.367 -11.470 3.014 1.00 63.32 O ATOM 562 ND2 ASN A 33 -5.941 -12.883 4.634 1.00 14.34 N ATOM 0 H ASN A 33 -7.468 -9.268 5.270 1.00 32.03 H new ATOM 0 HA ASN A 33 -7.326 -9.800 2.351 1.00 34.12 H new ATOM 0 HB2 ASN A 33 -8.147 -11.641 4.653 1.00 24.23 H new ATOM 0 HB3 ASN A 33 -8.216 -12.073 2.956 1.00 24.23 H new ATOM 0 HD21 ASN A 33 -4.986 -13.229 4.723 1.00 14.34 H new ATOM 0 HD22 ASN A 33 -6.678 -13.260 5.230 1.00 14.34 H new ATOM 569 N ASP A 34 -9.894 -9.022 4.226 1.00 73.32 N ATOM 570 CA ASP A 34 -11.371 -8.858 4.327 1.00 4.10 C ATOM 571 C ASP A 34 -11.734 -7.498 4.965 1.00 20.14 C ATOM 572 O ASP A 34 -10.863 -6.809 5.495 1.00 22.13 O ATOM 573 CB ASP A 34 -11.951 -10.043 5.161 1.00 70.11 C ATOM 574 CG ASP A 34 -13.489 -10.122 5.172 1.00 20.14 C ATOM 575 OD1 ASP A 34 -14.079 -10.510 4.140 1.00 31.04 O ATOM 576 OD2 ASP A 34 -14.117 -9.756 6.189 1.00 1.31 O ATOM 0 H ASP A 34 -9.382 -8.659 5.030 1.00 73.32 H new ATOM 0 HA ASP A 34 -11.808 -8.870 3.329 1.00 4.10 H new ATOM 0 HB2 ASP A 34 -11.554 -10.978 4.765 1.00 70.11 H new ATOM 0 HB3 ASP A 34 -11.597 -9.956 6.188 1.00 70.11 H new ATOM 581 N SER A 35 -13.030 -7.126 4.883 1.00 3.15 N ATOM 582 CA SER A 35 -13.577 -5.867 5.433 1.00 42.14 C ATOM 583 C SER A 35 -13.550 -5.862 6.970 1.00 65.32 C ATOM 584 O SER A 35 -13.301 -4.813 7.589 1.00 62.14 O ATOM 585 CB SER A 35 -15.021 -5.664 4.919 1.00 64.42 C ATOM 586 OG SER A 35 -15.586 -4.450 5.405 1.00 75.32 O ATOM 0 H SER A 35 -13.737 -7.702 4.425 1.00 3.15 H new ATOM 0 HA SER A 35 -12.949 -5.043 5.093 1.00 42.14 H new ATOM 0 HB2 SER A 35 -15.022 -5.655 3.829 1.00 64.42 H new ATOM 0 HB3 SER A 35 -15.640 -6.505 5.231 1.00 64.42 H new ATOM 0 HG SER A 35 -16.498 -4.352 5.060 1.00 75.32 H new ATOM 592 N ASP A 36 -13.815 -7.032 7.578 1.00 42.24 N ATOM 593 CA ASP A 36 -13.740 -7.196 9.038 1.00 75.44 C ATOM 594 C ASP A 36 -12.288 -7.028 9.480 1.00 63.23 C ATOM 595 O ASP A 36 -12.002 -6.219 10.362 1.00 51.43 O ATOM 596 CB ASP A 36 -14.296 -8.574 9.487 1.00 1.24 C ATOM 597 CG ASP A 36 -14.299 -8.753 11.019 1.00 71.21 C ATOM 598 OD1 ASP A 36 -15.277 -8.330 11.675 1.00 53.13 O ATOM 599 OD2 ASP A 36 -13.306 -9.286 11.579 1.00 23.01 O ATOM 0 H ASP A 36 -14.084 -7.879 7.078 1.00 42.24 H new ATOM 0 HA ASP A 36 -14.359 -6.434 9.511 1.00 75.44 H new ATOM 0 HB2 ASP A 36 -15.313 -8.689 9.111 1.00 1.24 H new ATOM 0 HB3 ASP A 36 -13.698 -9.365 9.035 1.00 1.24 H new ATOM 604 N GLU A 37 -11.380 -7.767 8.799 1.00 72.40 N ATOM 605 CA GLU A 37 -9.919 -7.691 9.029 1.00 30.54 C ATOM 606 C GLU A 37 -9.445 -6.233 8.969 1.00 2.21 C ATOM 607 O GLU A 37 -8.715 -5.781 9.853 1.00 42.31 O ATOM 608 CB GLU A 37 -9.146 -8.539 7.979 1.00 45.24 C ATOM 609 CG GLU A 37 -9.502 -10.041 7.969 1.00 0.42 C ATOM 610 CD GLU A 37 -9.236 -10.748 9.312 1.00 32.22 C ATOM 611 OE1 GLU A 37 -8.080 -10.730 9.790 1.00 35.20 O ATOM 612 OE2 GLU A 37 -10.181 -11.316 9.903 1.00 74.33 O ATOM 0 H GLU A 37 -11.642 -8.434 8.073 1.00 72.40 H new ATOM 0 HA GLU A 37 -9.713 -8.094 10.020 1.00 30.54 H new ATOM 0 HB2 GLU A 37 -9.339 -8.128 6.988 1.00 45.24 H new ATOM 0 HB3 GLU A 37 -8.077 -8.435 8.165 1.00 45.24 H new ATOM 0 HG2 GLU A 37 -10.555 -10.154 7.711 1.00 0.42 H new ATOM 0 HG3 GLU A 37 -8.927 -10.537 7.187 1.00 0.42 H new ATOM 619 N LEU A 38 -9.947 -5.514 7.943 1.00 5.33 N ATOM 620 CA LEU A 38 -9.618 -4.108 7.677 1.00 1.13 C ATOM 621 C LEU A 38 -9.904 -3.235 8.904 1.00 64.51 C ATOM 622 O LEU A 38 -8.979 -2.680 9.481 1.00 64.05 O ATOM 623 CB LEU A 38 -10.444 -3.596 6.468 1.00 12.12 C ATOM 624 CG LEU A 38 -10.205 -2.114 6.032 1.00 1.12 C ATOM 625 CD1 LEU A 38 -8.806 -1.929 5.421 1.00 53.21 C ATOM 626 CD2 LEU A 38 -11.303 -1.639 5.065 1.00 62.04 C ATOM 0 H LEU A 38 -10.603 -5.906 7.268 1.00 5.33 H new ATOM 0 HA LEU A 38 -8.554 -4.043 7.449 1.00 1.13 H new ATOM 0 HB2 LEU A 38 -10.233 -4.240 5.614 1.00 12.12 H new ATOM 0 HB3 LEU A 38 -11.502 -3.715 6.703 1.00 12.12 H new ATOM 0 HG LEU A 38 -10.257 -1.493 6.926 1.00 1.12 H new ATOM 0 HD11 LEU A 38 -8.672 -0.888 5.128 1.00 53.21 H new ATOM 0 HD12 LEU A 38 -8.049 -2.200 6.157 1.00 53.21 H new ATOM 0 HD13 LEU A 38 -8.705 -2.568 4.544 1.00 53.21 H new ATOM 0 HD21 LEU A 38 -11.112 -0.605 4.778 1.00 62.04 H new ATOM 0 HD22 LEU A 38 -11.302 -2.269 4.175 1.00 62.04 H new ATOM 0 HD23 LEU A 38 -12.274 -1.706 5.556 1.00 62.04 H new ATOM 638 N LYS A 39 -11.186 -3.179 9.329 1.00 43.14 N ATOM 639 CA LYS A 39 -11.626 -2.245 10.390 1.00 74.03 C ATOM 640 C LYS A 39 -10.966 -2.566 11.745 1.00 22.33 C ATOM 641 O LYS A 39 -10.659 -1.650 12.516 1.00 53.20 O ATOM 642 CB LYS A 39 -13.188 -2.187 10.477 1.00 3.32 C ATOM 643 CG LYS A 39 -13.947 -3.518 10.777 1.00 31.15 C ATOM 644 CD LYS A 39 -14.035 -3.851 12.288 1.00 74.31 C ATOM 645 CE LYS A 39 -14.849 -5.121 12.587 1.00 63.24 C ATOM 646 NZ LYS A 39 -16.289 -4.962 12.251 1.00 43.33 N ATOM 0 H LYS A 39 -11.931 -3.767 8.956 1.00 43.14 H new ATOM 0 HA LYS A 39 -11.287 -1.245 10.118 1.00 74.03 H new ATOM 0 HB2 LYS A 39 -13.454 -1.467 11.251 1.00 3.32 H new ATOM 0 HB3 LYS A 39 -13.562 -1.793 9.532 1.00 3.32 H new ATOM 0 HG2 LYS A 39 -14.955 -3.452 10.368 1.00 31.15 H new ATOM 0 HG3 LYS A 39 -13.446 -4.337 10.261 1.00 31.15 H new ATOM 0 HD2 LYS A 39 -13.027 -3.972 12.685 1.00 74.31 H new ATOM 0 HD3 LYS A 39 -14.485 -3.008 12.813 1.00 74.31 H new ATOM 0 HE2 LYS A 39 -14.436 -5.956 12.021 1.00 63.24 H new ATOM 0 HE3 LYS A 39 -14.750 -5.373 13.643 1.00 63.24 H new ATOM 0 HZ1 LYS A 39 -16.808 -5.818 12.532 1.00 43.33 H new ATOM 0 HZ2 LYS A 39 -16.675 -4.141 12.759 1.00 43.33 H new ATOM 0 HZ3 LYS A 39 -16.392 -4.816 11.227 1.00 43.33 H new ATOM 660 N LYS A 40 -10.718 -3.868 11.996 1.00 2.03 N ATOM 661 CA LYS A 40 -10.073 -4.345 13.230 1.00 63.52 C ATOM 662 C LYS A 40 -8.676 -3.722 13.372 1.00 50.10 C ATOM 663 O LYS A 40 -8.448 -2.902 14.266 1.00 10.12 O ATOM 664 CB LYS A 40 -9.981 -5.902 13.222 1.00 12.15 C ATOM 665 CG LYS A 40 -11.336 -6.641 13.289 1.00 73.42 C ATOM 666 CD LYS A 40 -12.012 -6.583 14.675 1.00 71.25 C ATOM 667 CE LYS A 40 -11.311 -7.488 15.701 1.00 41.35 C ATOM 668 NZ LYS A 40 -11.260 -8.909 15.245 1.00 24.05 N ATOM 0 H LYS A 40 -10.961 -4.616 11.347 1.00 2.03 H new ATOM 0 HA LYS A 40 -10.676 -4.039 14.085 1.00 63.52 H new ATOM 0 HB2 LYS A 40 -9.459 -6.215 12.318 1.00 12.15 H new ATOM 0 HB3 LYS A 40 -9.370 -6.218 14.068 1.00 12.15 H new ATOM 0 HG2 LYS A 40 -12.010 -6.211 12.548 1.00 73.42 H new ATOM 0 HG3 LYS A 40 -11.184 -7.684 13.013 1.00 73.42 H new ATOM 0 HD2 LYS A 40 -12.007 -5.555 15.037 1.00 71.25 H new ATOM 0 HD3 LYS A 40 -13.056 -6.883 14.581 1.00 71.25 H new ATOM 0 HE2 LYS A 40 -10.298 -7.125 15.873 1.00 41.35 H new ATOM 0 HE3 LYS A 40 -11.836 -7.431 16.654 1.00 41.35 H new ATOM 0 HZ1 LYS A 40 -11.086 -9.529 16.061 1.00 24.05 H new ATOM 0 HZ2 LYS A 40 -12.166 -9.164 14.803 1.00 24.05 H new ATOM 0 HZ3 LYS A 40 -10.493 -9.024 14.553 1.00 24.05 H new ATOM 682 N GLU A 41 -7.787 -4.050 12.418 1.00 54.35 N ATOM 683 CA GLU A 41 -6.357 -3.683 12.489 1.00 3.10 C ATOM 684 C GLU A 41 -6.121 -2.189 12.180 1.00 30.23 C ATOM 685 O GLU A 41 -5.128 -1.618 12.641 1.00 32.34 O ATOM 686 CB GLU A 41 -5.530 -4.595 11.549 1.00 12.54 C ATOM 687 CG GLU A 41 -5.862 -4.481 10.048 1.00 41.43 C ATOM 688 CD GLU A 41 -5.254 -5.633 9.229 1.00 54.33 C ATOM 689 OE1 GLU A 41 -5.902 -6.700 9.113 1.00 4.45 O ATOM 690 OE2 GLU A 41 -4.113 -5.495 8.739 1.00 22.25 O ATOM 0 H GLU A 41 -8.035 -4.574 11.579 1.00 54.35 H new ATOM 0 HA GLU A 41 -6.021 -3.840 13.514 1.00 3.10 H new ATOM 0 HB2 GLU A 41 -4.473 -4.366 11.687 1.00 12.54 H new ATOM 0 HB3 GLU A 41 -5.675 -5.630 11.857 1.00 12.54 H new ATOM 0 HG2 GLU A 41 -6.944 -4.476 9.916 1.00 41.43 H new ATOM 0 HG3 GLU A 41 -5.490 -3.530 9.666 1.00 41.43 H new ATOM 697 N MET A 42 -7.049 -1.563 11.425 1.00 61.23 N ATOM 698 CA MET A 42 -6.973 -0.126 11.082 1.00 75.41 C ATOM 699 C MET A 42 -7.271 0.759 12.283 1.00 31.03 C ATOM 700 O MET A 42 -6.629 1.796 12.469 1.00 44.00 O ATOM 701 CB MET A 42 -7.944 0.252 9.945 1.00 42.11 C ATOM 702 CG MET A 42 -7.430 -0.017 8.526 1.00 71.23 C ATOM 703 SD MET A 42 -8.126 1.172 7.382 1.00 21.42 S ATOM 704 CE MET A 42 -7.447 2.700 8.042 1.00 31.35 C ATOM 0 H MET A 42 -7.866 -2.035 11.038 1.00 61.23 H new ATOM 0 HA MET A 42 -5.949 0.043 10.750 1.00 75.41 H new ATOM 0 HB2 MET A 42 -8.874 -0.298 10.087 1.00 42.11 H new ATOM 0 HB3 MET A 42 -8.184 1.312 10.032 1.00 42.11 H new ATOM 0 HG2 MET A 42 -6.342 0.043 8.508 1.00 71.23 H new ATOM 0 HG3 MET A 42 -7.698 -1.028 8.219 1.00 71.23 H new ATOM 0 HE1 MET A 42 -7.559 3.496 7.306 1.00 31.35 H new ATOM 0 HE2 MET A 42 -7.980 2.971 8.953 1.00 31.35 H new ATOM 0 HE3 MET A 42 -6.390 2.561 8.268 1.00 31.35 H new ATOM 714 N LYS A 43 -8.279 0.376 13.070 1.00 73.22 N ATOM 715 CA LYS A 43 -8.618 1.095 14.304 1.00 12.12 C ATOM 716 C LYS A 43 -7.515 0.913 15.352 1.00 52.21 C ATOM 717 O LYS A 43 -7.328 1.797 16.173 1.00 74.54 O ATOM 718 CB LYS A 43 -10.027 0.671 14.792 1.00 54.23 C ATOM 719 CG LYS A 43 -11.192 1.446 14.097 1.00 3.23 C ATOM 720 CD LYS A 43 -12.490 0.617 13.900 1.00 73.04 C ATOM 721 CE LYS A 43 -12.948 -0.141 15.155 1.00 12.34 C ATOM 722 NZ LYS A 43 -13.172 0.756 16.319 1.00 53.31 N ATOM 0 H LYS A 43 -8.876 -0.428 12.876 1.00 73.22 H new ATOM 0 HA LYS A 43 -8.669 2.167 14.112 1.00 12.12 H new ATOM 0 HB2 LYS A 43 -10.157 -0.397 14.616 1.00 54.23 H new ATOM 0 HB3 LYS A 43 -10.091 0.826 15.869 1.00 54.23 H new ATOM 0 HG2 LYS A 43 -11.427 2.330 14.689 1.00 3.23 H new ATOM 0 HG3 LYS A 43 -10.849 1.796 13.124 1.00 3.23 H new ATOM 0 HD2 LYS A 43 -13.290 1.285 13.580 1.00 73.04 H new ATOM 0 HD3 LYS A 43 -12.332 -0.099 13.094 1.00 73.04 H new ATOM 0 HE2 LYS A 43 -13.870 -0.678 14.933 1.00 12.34 H new ATOM 0 HE3 LYS A 43 -12.199 -0.888 15.417 1.00 12.34 H new ATOM 0 HZ1 LYS A 43 -13.479 0.193 17.137 1.00 53.31 H new ATOM 0 HZ2 LYS A 43 -12.287 1.250 16.552 1.00 53.31 H new ATOM 0 HZ3 LYS A 43 -13.907 1.454 16.083 1.00 53.31 H new ATOM 736 N LYS A 44 -6.728 -0.184 15.253 1.00 12.32 N ATOM 737 CA LYS A 44 -5.518 -0.362 16.085 1.00 15.10 C ATOM 738 C LYS A 44 -4.415 0.623 15.637 1.00 62.53 C ATOM 739 O LYS A 44 -3.609 1.036 16.442 1.00 65.44 O ATOM 740 CB LYS A 44 -4.971 -1.817 16.026 1.00 34.54 C ATOM 741 CG LYS A 44 -6.007 -2.941 16.220 1.00 20.50 C ATOM 742 CD LYS A 44 -6.900 -2.822 17.486 1.00 1.45 C ATOM 743 CE LYS A 44 -6.158 -3.058 18.820 1.00 74.22 C ATOM 744 NZ LYS A 44 -5.343 -1.890 19.249 1.00 3.03 N ATOM 0 H LYS A 44 -6.909 -0.954 14.609 1.00 12.32 H new ATOM 0 HA LYS A 44 -5.805 -0.156 17.116 1.00 15.10 H new ATOM 0 HB2 LYS A 44 -4.485 -1.962 15.061 1.00 34.54 H new ATOM 0 HB3 LYS A 44 -4.201 -1.925 16.790 1.00 34.54 H new ATOM 0 HG2 LYS A 44 -6.654 -2.970 15.343 1.00 20.50 H new ATOM 0 HG3 LYS A 44 -5.479 -3.894 16.258 1.00 20.50 H new ATOM 0 HD2 LYS A 44 -7.349 -1.829 17.506 1.00 1.45 H new ATOM 0 HD3 LYS A 44 -7.717 -3.540 17.408 1.00 1.45 H new ATOM 0 HE2 LYS A 44 -6.886 -3.291 19.597 1.00 74.22 H new ATOM 0 HE3 LYS A 44 -5.510 -3.928 18.719 1.00 74.22 H new ATOM 0 HZ1 LYS A 44 -5.179 -1.939 20.275 1.00 3.03 H new ATOM 0 HZ2 LYS A 44 -4.430 -1.902 18.751 1.00 3.03 H new ATOM 0 HZ3 LYS A 44 -5.850 -1.011 19.021 1.00 3.03 H new ATOM 758 N LEU A 45 -4.392 0.964 14.331 1.00 44.34 N ATOM 759 CA LEU A 45 -3.448 1.960 13.767 1.00 32.31 C ATOM 760 C LEU A 45 -3.841 3.386 14.182 1.00 41.01 C ATOM 761 O LEU A 45 -2.976 4.250 14.372 1.00 50.03 O ATOM 762 CB LEU A 45 -3.414 1.869 12.217 1.00 74.55 C ATOM 763 CG LEU A 45 -2.940 0.509 11.635 1.00 22.22 C ATOM 764 CD1 LEU A 45 -3.035 0.479 10.099 1.00 63.53 C ATOM 765 CD2 LEU A 45 -1.523 0.170 12.121 1.00 42.14 C ATOM 0 H LEU A 45 -5.023 0.560 13.638 1.00 44.34 H new ATOM 0 HA LEU A 45 -2.458 1.734 14.163 1.00 32.31 H new ATOM 0 HB2 LEU A 45 -4.414 2.078 11.837 1.00 74.55 H new ATOM 0 HB3 LEU A 45 -2.759 2.654 11.839 1.00 74.55 H new ATOM 0 HG LEU A 45 -3.614 -0.262 12.007 1.00 22.22 H new ATOM 0 HD11 LEU A 45 -2.694 -0.489 9.732 1.00 63.53 H new ATOM 0 HD12 LEU A 45 -4.070 0.638 9.795 1.00 63.53 H new ATOM 0 HD13 LEU A 45 -2.408 1.267 9.680 1.00 63.53 H new ATOM 0 HD21 LEU A 45 -1.213 -0.787 11.700 1.00 42.14 H new ATOM 0 HD22 LEU A 45 -0.832 0.949 11.799 1.00 42.14 H new ATOM 0 HD23 LEU A 45 -1.517 0.107 13.209 1.00 42.14 H new ATOM 777 N ALA A 46 -5.163 3.612 14.287 1.00 12.03 N ATOM 778 CA ALA A 46 -5.736 4.914 14.654 1.00 20.14 C ATOM 779 C ALA A 46 -5.534 5.201 16.155 1.00 22.32 C ATOM 780 O ALA A 46 -5.412 6.361 16.558 1.00 1.12 O ATOM 781 CB ALA A 46 -7.220 4.953 14.261 1.00 31.01 C ATOM 0 H ALA A 46 -5.865 2.891 14.118 1.00 12.03 H new ATOM 0 HA ALA A 46 -5.216 5.701 14.108 1.00 20.14 H new ATOM 0 HB1 ALA A 46 -7.643 5.920 14.534 1.00 31.01 H new ATOM 0 HB2 ALA A 46 -7.315 4.806 13.185 1.00 31.01 H new ATOM 0 HB3 ALA A 46 -7.756 4.161 14.784 1.00 31.01 H new ATOM 787 N GLU A 47 -5.517 4.127 16.970 1.00 54.54 N ATOM 788 CA GLU A 47 -5.178 4.210 18.406 1.00 71.34 C ATOM 789 C GLU A 47 -3.646 4.344 18.559 1.00 62.12 C ATOM 790 O GLU A 47 -3.133 5.347 19.067 1.00 20.21 O ATOM 791 CB GLU A 47 -5.690 2.949 19.165 1.00 3.41 C ATOM 792 CG GLU A 47 -7.206 2.708 19.051 1.00 72.44 C ATOM 793 CD GLU A 47 -7.663 1.387 19.696 1.00 12.22 C ATOM 794 OE1 GLU A 47 -7.347 0.309 19.143 1.00 42.42 O ATOM 795 OE2 GLU A 47 -8.346 1.412 20.747 1.00 51.11 O ATOM 0 H GLU A 47 -5.737 3.182 16.654 1.00 54.54 H new ATOM 0 HA GLU A 47 -5.664 5.084 18.839 1.00 71.34 H new ATOM 0 HB2 GLU A 47 -5.166 2.073 18.783 1.00 3.41 H new ATOM 0 HB3 GLU A 47 -5.428 3.043 20.219 1.00 3.41 H new ATOM 0 HG2 GLU A 47 -7.735 3.536 19.522 1.00 72.44 H new ATOM 0 HG3 GLU A 47 -7.489 2.707 17.998 1.00 72.44 H new ATOM 802 N GLU A 48 -2.937 3.314 18.074 1.00 24.55 N ATOM 803 CA GLU A 48 -1.473 3.199 18.139 1.00 12.33 C ATOM 804 C GLU A 48 -0.848 3.884 16.912 1.00 41.50 C ATOM 805 O GLU A 48 -0.545 3.246 15.890 1.00 40.12 O ATOM 806 CB GLU A 48 -1.081 1.697 18.217 1.00 23.20 C ATOM 807 CG GLU A 48 -1.755 0.936 19.380 1.00 64.20 C ATOM 808 CD GLU A 48 -1.771 -0.586 19.175 1.00 52.14 C ATOM 809 OE1 GLU A 48 -2.701 -1.103 18.516 1.00 52.33 O ATOM 810 OE2 GLU A 48 -0.851 -1.281 19.658 1.00 21.14 O ATOM 0 H GLU A 48 -3.378 2.517 17.614 1.00 24.55 H new ATOM 0 HA GLU A 48 -1.093 3.698 19.031 1.00 12.33 H new ATOM 0 HB2 GLU A 48 -1.345 1.213 17.277 1.00 23.20 H new ATOM 0 HB3 GLU A 48 0.001 1.619 18.323 1.00 23.20 H new ATOM 0 HG2 GLU A 48 -1.232 1.166 20.308 1.00 64.20 H new ATOM 0 HG3 GLU A 48 -2.779 1.292 19.494 1.00 64.20 H new ATOM 817 N LYS A 49 -0.681 5.210 17.032 1.00 55.13 N ATOM 818 CA LYS A 49 -0.142 6.075 15.958 1.00 2.02 C ATOM 819 C LYS A 49 1.396 6.190 16.044 1.00 42.04 C ATOM 820 O LYS A 49 1.989 7.132 15.503 1.00 33.22 O ATOM 821 CB LYS A 49 -0.816 7.468 16.038 1.00 70.14 C ATOM 822 CG LYS A 49 -2.343 7.448 15.802 1.00 41.34 C ATOM 823 CD LYS A 49 -3.010 8.843 15.920 1.00 25.14 C ATOM 824 CE LYS A 49 -3.112 9.371 17.373 1.00 4.43 C ATOM 825 NZ LYS A 49 -1.795 9.707 17.987 1.00 52.44 N ATOM 0 H LYS A 49 -0.917 5.721 17.882 1.00 55.13 H new ATOM 0 HA LYS A 49 -0.370 5.624 14.992 1.00 2.02 H new ATOM 0 HB2 LYS A 49 -0.617 7.900 17.019 1.00 70.14 H new ATOM 0 HB3 LYS A 49 -0.354 8.125 15.301 1.00 70.14 H new ATOM 0 HG2 LYS A 49 -2.543 7.042 14.810 1.00 41.34 H new ATOM 0 HG3 LYS A 49 -2.804 6.772 16.522 1.00 41.34 H new ATOM 0 HD2 LYS A 49 -2.443 9.557 15.324 1.00 25.14 H new ATOM 0 HD3 LYS A 49 -4.011 8.793 15.491 1.00 25.14 H new ATOM 0 HE2 LYS A 49 -3.744 10.259 17.383 1.00 4.43 H new ATOM 0 HE3 LYS A 49 -3.608 8.620 17.988 1.00 4.43 H new ATOM 0 HZ1 LYS A 49 -1.897 10.551 18.587 1.00 52.44 H new ATOM 0 HZ2 LYS A 49 -1.468 8.908 18.567 1.00 52.44 H new ATOM 0 HZ3 LYS A 49 -1.101 9.897 17.237 1.00 52.44 H new ATOM 839 N ASN A 50 2.016 5.185 16.699 1.00 21.44 N ATOM 840 CA ASN A 50 3.474 5.027 16.816 1.00 45.05 C ATOM 841 C ASN A 50 4.161 5.123 15.440 1.00 24.22 C ATOM 842 O ASN A 50 3.673 4.530 14.460 1.00 43.40 O ATOM 843 CB ASN A 50 3.772 3.659 17.493 1.00 11.14 C ATOM 844 CG ASN A 50 5.264 3.325 17.613 1.00 45.23 C ATOM 845 OD1 ASN A 50 5.780 2.509 16.702 1.00 14.32 O flip ATOM 846 ND2 ASN A 50 5.930 3.765 18.546 1.00 51.42 N flip ATOM 0 H ASN A 50 1.499 4.444 17.172 1.00 21.44 H new ATOM 0 HA ASN A 50 3.876 5.835 17.427 1.00 45.05 H new ATOM 0 HB2 ASN A 50 3.330 3.656 18.489 1.00 11.14 H new ATOM 0 HB3 ASN A 50 3.280 2.870 16.924 1.00 11.14 H new ATOM 0 HD21 ASN A 50 5.501 4.390 19.228 1.00 51.42 H new ATOM 0 HD22 ASN A 50 6.912 3.505 18.639 1.00 51.42 H new ATOM 853 N PHE A 51 5.256 5.912 15.376 1.00 1.12 N ATOM 854 CA PHE A 51 6.072 6.072 14.165 1.00 64.31 C ATOM 855 C PHE A 51 6.693 4.711 13.813 1.00 42.32 C ATOM 856 O PHE A 51 7.729 4.316 14.363 1.00 43.40 O ATOM 857 CB PHE A 51 7.158 7.169 14.374 1.00 42.42 C ATOM 858 CG PHE A 51 7.950 7.533 13.104 1.00 33.22 C ATOM 859 CD1 PHE A 51 7.464 8.487 12.209 1.00 61.11 C ATOM 860 CD2 PHE A 51 9.173 6.915 12.800 1.00 13.14 C ATOM 861 CE1 PHE A 51 8.164 8.808 11.063 1.00 22.44 C ATOM 862 CE2 PHE A 51 9.866 7.237 11.652 1.00 63.32 C ATOM 863 CZ PHE A 51 9.362 8.185 10.785 1.00 22.04 C ATOM 0 H PHE A 51 5.595 6.456 16.170 1.00 1.12 H new ATOM 0 HA PHE A 51 5.450 6.403 13.333 1.00 64.31 H new ATOM 0 HB2 PHE A 51 6.678 8.069 14.758 1.00 42.42 H new ATOM 0 HB3 PHE A 51 7.857 6.830 15.138 1.00 42.42 H new ATOM 0 HD1 PHE A 51 6.526 8.982 12.416 1.00 61.11 H new ATOM 0 HD2 PHE A 51 9.578 6.176 13.476 1.00 13.14 H new ATOM 0 HE1 PHE A 51 7.772 9.549 10.382 1.00 22.44 H new ATOM 0 HE2 PHE A 51 10.803 6.747 11.432 1.00 63.32 H new ATOM 0 HZ PHE A 51 9.907 8.439 9.888 1.00 22.04 H new ATOM 873 N GLU A 52 5.994 3.983 12.939 1.00 42.31 N ATOM 874 CA GLU A 52 6.313 2.601 12.595 1.00 11.50 C ATOM 875 C GLU A 52 6.083 2.397 11.100 1.00 1.44 C ATOM 876 O GLU A 52 5.101 2.915 10.534 1.00 51.10 O ATOM 877 CB GLU A 52 5.446 1.635 13.447 1.00 61.21 C ATOM 878 CG GLU A 52 5.759 0.134 13.268 1.00 23.25 C ATOM 879 CD GLU A 52 5.046 -0.746 14.310 1.00 60.20 C ATOM 880 OE1 GLU A 52 3.872 -1.135 14.092 1.00 63.23 O ATOM 881 OE2 GLU A 52 5.637 -1.017 15.377 1.00 22.02 O ATOM 0 H GLU A 52 5.179 4.345 12.445 1.00 42.31 H new ATOM 0 HA GLU A 52 7.359 2.386 12.815 1.00 11.50 H new ATOM 0 HB2 GLU A 52 5.572 1.892 14.499 1.00 61.21 H new ATOM 0 HB3 GLU A 52 4.397 1.802 13.201 1.00 61.21 H new ATOM 0 HG2 GLU A 52 5.460 -0.179 12.268 1.00 23.25 H new ATOM 0 HG3 GLU A 52 6.835 -0.021 13.342 1.00 23.25 H new ATOM 888 N LYS A 53 7.013 1.672 10.469 1.00 45.44 N ATOM 889 CA LYS A 53 7.001 1.402 9.035 1.00 75.22 C ATOM 890 C LYS A 53 6.337 0.054 8.778 1.00 25.24 C ATOM 891 O LYS A 53 6.955 -1.004 8.947 1.00 3.14 O ATOM 892 CB LYS A 53 8.432 1.447 8.478 1.00 41.45 C ATOM 893 CG LYS A 53 9.125 2.807 8.677 1.00 64.23 C ATOM 894 CD LYS A 53 10.498 2.879 7.998 1.00 11.43 C ATOM 895 CE LYS A 53 11.501 1.848 8.536 1.00 35.44 C ATOM 896 NZ LYS A 53 12.817 1.959 7.855 1.00 30.32 N ATOM 0 H LYS A 53 7.807 1.251 10.952 1.00 45.44 H new ATOM 0 HA LYS A 53 6.424 2.169 8.518 1.00 75.22 H new ATOM 0 HB2 LYS A 53 9.026 0.671 8.961 1.00 41.45 H new ATOM 0 HB3 LYS A 53 8.407 1.213 7.414 1.00 41.45 H new ATOM 0 HG2 LYS A 53 8.487 3.596 8.280 1.00 64.23 H new ATOM 0 HG3 LYS A 53 9.242 2.998 9.744 1.00 64.23 H new ATOM 0 HD2 LYS A 53 10.373 2.728 6.926 1.00 11.43 H new ATOM 0 HD3 LYS A 53 10.909 3.879 8.133 1.00 11.43 H new ATOM 0 HE2 LYS A 53 11.632 1.992 9.608 1.00 35.44 H new ATOM 0 HE3 LYS A 53 11.102 0.843 8.396 1.00 35.44 H new ATOM 0 HZ1 LYS A 53 13.470 1.248 8.243 1.00 30.32 H new ATOM 0 HZ2 LYS A 53 12.695 1.797 6.835 1.00 30.32 H new ATOM 0 HZ3 LYS A 53 13.209 2.910 8.010 1.00 30.32 H new ATOM 910 N ILE A 54 5.057 0.110 8.411 1.00 0.01 N ATOM 911 CA ILE A 54 4.206 -1.064 8.245 1.00 12.54 C ATOM 912 C ILE A 54 3.851 -1.231 6.767 1.00 54.22 C ATOM 913 O ILE A 54 3.364 -0.294 6.134 1.00 13.22 O ATOM 914 CB ILE A 54 2.885 -0.917 9.086 1.00 0.04 C ATOM 915 CG1 ILE A 54 3.207 -0.523 10.557 1.00 74.41 C ATOM 916 CG2 ILE A 54 2.051 -2.219 9.043 1.00 72.44 C ATOM 917 CD1 ILE A 54 1.998 -0.186 11.413 1.00 73.23 C ATOM 0 H ILE A 54 4.576 0.988 8.218 1.00 0.01 H new ATOM 0 HA ILE A 54 4.749 -1.940 8.598 1.00 12.54 H new ATOM 0 HB ILE A 54 2.292 -0.120 8.639 1.00 0.04 H new ATOM 0 HG12 ILE A 54 3.748 -1.345 11.027 1.00 74.41 H new ATOM 0 HG13 ILE A 54 3.878 0.336 10.548 1.00 74.41 H new ATOM 0 HG21 ILE A 54 1.143 -2.089 9.633 1.00 72.44 H new ATOM 0 HG22 ILE A 54 1.784 -2.446 8.011 1.00 72.44 H new ATOM 0 HG23 ILE A 54 2.637 -3.040 9.455 1.00 72.44 H new ATOM 0 HD11 ILE A 54 2.326 0.075 12.419 1.00 73.23 H new ATOM 0 HD12 ILE A 54 1.466 0.658 10.974 1.00 73.23 H new ATOM 0 HD13 ILE A 54 1.334 -1.049 11.460 1.00 73.23 H new ATOM 929 N LEU A 55 4.114 -2.419 6.221 1.00 41.41 N ATOM 930 CA LEU A 55 3.601 -2.812 4.914 1.00 33.05 C ATOM 931 C LEU A 55 2.143 -3.261 5.093 1.00 62.33 C ATOM 932 O LEU A 55 1.902 -4.323 5.666 1.00 41.02 O ATOM 933 CB LEU A 55 4.425 -3.980 4.310 1.00 64.33 C ATOM 934 CG LEU A 55 4.019 -4.394 2.851 1.00 63.21 C ATOM 935 CD1 LEU A 55 4.607 -3.405 1.831 1.00 60.00 C ATOM 936 CD2 LEU A 55 4.403 -5.853 2.520 1.00 32.23 C ATOM 0 H LEU A 55 4.687 -3.132 6.673 1.00 41.41 H new ATOM 0 HA LEU A 55 3.674 -1.965 4.232 1.00 33.05 H new ATOM 0 HB2 LEU A 55 5.479 -3.701 4.312 1.00 64.33 H new ATOM 0 HB3 LEU A 55 4.324 -4.850 4.960 1.00 64.33 H new ATOM 0 HG LEU A 55 2.932 -4.348 2.788 1.00 63.21 H new ATOM 0 HD11 LEU A 55 4.317 -3.705 0.824 1.00 60.00 H new ATOM 0 HD12 LEU A 55 4.227 -2.404 2.035 1.00 60.00 H new ATOM 0 HD13 LEU A 55 5.694 -3.404 1.910 1.00 60.00 H new ATOM 0 HD21 LEU A 55 4.099 -6.087 1.500 1.00 32.23 H new ATOM 0 HD22 LEU A 55 5.482 -5.976 2.615 1.00 32.23 H new ATOM 0 HD23 LEU A 55 3.899 -6.528 3.212 1.00 32.23 H new ATOM 948 N ILE A 56 1.177 -2.455 4.638 1.00 4.33 N ATOM 949 CA ILE A 56 -0.231 -2.864 4.627 1.00 53.13 C ATOM 950 C ILE A 56 -0.505 -3.528 3.283 1.00 2.01 C ATOM 951 O ILE A 56 -0.564 -2.865 2.249 1.00 14.40 O ATOM 952 CB ILE A 56 -1.226 -1.665 4.843 1.00 70.33 C ATOM 953 CG1 ILE A 56 -0.993 -0.975 6.215 1.00 21.42 C ATOM 954 CG2 ILE A 56 -2.702 -2.129 4.715 1.00 0.01 C ATOM 955 CD1 ILE A 56 -1.241 -1.847 7.432 1.00 72.24 C ATOM 0 H ILE A 56 1.345 -1.517 4.273 1.00 4.33 H new ATOM 0 HA ILE A 56 -0.398 -3.548 5.459 1.00 53.13 H new ATOM 0 HB ILE A 56 -1.027 -0.935 4.058 1.00 70.33 H new ATOM 0 HG12 ILE A 56 0.035 -0.614 6.251 1.00 21.42 H new ATOM 0 HG13 ILE A 56 -1.641 -0.100 6.278 1.00 21.42 H new ATOM 0 HG21 ILE A 56 -3.366 -1.278 4.869 1.00 0.01 H new ATOM 0 HG22 ILE A 56 -2.868 -2.543 3.721 1.00 0.01 H new ATOM 0 HG23 ILE A 56 -2.910 -2.892 5.465 1.00 0.01 H new ATOM 0 HD11 ILE A 56 -1.050 -1.271 8.337 1.00 72.24 H new ATOM 0 HD12 ILE A 56 -2.276 -2.188 7.430 1.00 72.24 H new ATOM 0 HD13 ILE A 56 -0.575 -2.709 7.404 1.00 72.24 H new ATOM 967 N LYS A 57 -0.621 -4.845 3.315 1.00 14.42 N ATOM 968 CA LYS A 57 -0.926 -5.658 2.146 1.00 42.30 C ATOM 969 C LYS A 57 -2.447 -5.838 2.050 1.00 75.01 C ATOM 970 O LYS A 57 -3.133 -5.929 3.070 1.00 25.55 O ATOM 971 CB LYS A 57 -0.160 -7.020 2.267 1.00 1.44 C ATOM 972 CG LYS A 57 -0.578 -8.139 1.267 1.00 53.15 C ATOM 973 CD LYS A 57 -1.758 -9.011 1.787 1.00 43.04 C ATOM 974 CE LYS A 57 -2.250 -10.054 0.780 1.00 42.23 C ATOM 975 NZ LYS A 57 -3.417 -10.811 1.293 1.00 43.22 N ATOM 0 H LYS A 57 -0.504 -5.391 4.169 1.00 14.42 H new ATOM 0 HA LYS A 57 -0.596 -5.176 1.226 1.00 42.30 H new ATOM 0 HB2 LYS A 57 0.905 -6.826 2.138 1.00 1.44 H new ATOM 0 HB3 LYS A 57 -0.294 -7.399 3.280 1.00 1.44 H new ATOM 0 HG2 LYS A 57 -0.861 -7.683 0.318 1.00 53.15 H new ATOM 0 HG3 LYS A 57 0.281 -8.781 1.069 1.00 53.15 H new ATOM 0 HD2 LYS A 57 -1.446 -9.520 2.699 1.00 43.04 H new ATOM 0 HD3 LYS A 57 -2.589 -8.358 2.054 1.00 43.04 H new ATOM 0 HE2 LYS A 57 -2.520 -9.559 -0.153 1.00 42.23 H new ATOM 0 HE3 LYS A 57 -1.440 -10.747 0.550 1.00 42.23 H new ATOM 0 HZ1 LYS A 57 -3.316 -11.816 1.044 1.00 43.22 H new ATOM 0 HZ2 LYS A 57 -3.466 -10.714 2.327 1.00 43.22 H new ATOM 0 HZ3 LYS A 57 -4.289 -10.435 0.868 1.00 43.22 H new ATOM 989 N SER A 58 -2.946 -5.892 0.812 1.00 55.25 N ATOM 990 CA SER A 58 -4.335 -6.226 0.502 1.00 3.11 C ATOM 991 C SER A 58 -4.415 -6.739 -0.944 1.00 65.21 C ATOM 992 O SER A 58 -3.428 -6.684 -1.699 1.00 73.02 O ATOM 993 CB SER A 58 -5.252 -5.004 0.731 1.00 71.23 C ATOM 994 OG SER A 58 -6.623 -5.312 0.501 1.00 32.11 O ATOM 0 H SER A 58 -2.384 -5.701 -0.017 1.00 55.25 H new ATOM 0 HA SER A 58 -4.685 -7.014 1.169 1.00 3.11 H new ATOM 0 HB2 SER A 58 -5.128 -4.645 1.753 1.00 71.23 H new ATOM 0 HB3 SER A 58 -4.947 -4.193 0.069 1.00 71.23 H new ATOM 0 HG SER A 58 -7.122 -4.484 0.342 1.00 32.11 H new ATOM 1000 N ASN A 59 -5.588 -7.262 -1.300 1.00 71.22 N ATOM 1001 CA ASN A 59 -5.852 -7.891 -2.607 1.00 31.14 C ATOM 1002 C ASN A 59 -7.201 -7.413 -3.185 1.00 72.05 C ATOM 1003 O ASN A 59 -7.715 -8.006 -4.140 1.00 11.03 O ATOM 1004 CB ASN A 59 -5.812 -9.441 -2.452 1.00 72.40 C ATOM 1005 CG ASN A 59 -6.655 -9.961 -1.270 1.00 24.32 C ATOM 1006 OD1 ASN A 59 -6.147 -10.141 -0.155 1.00 45.31 O ATOM 1007 ND2 ASN A 59 -7.941 -10.191 -1.505 1.00 60.11 N ATOM 0 H ASN A 59 -6.400 -7.264 -0.682 1.00 71.22 H new ATOM 0 HA ASN A 59 -5.078 -7.592 -3.314 1.00 31.14 H new ATOM 0 HB2 ASN A 59 -6.170 -9.900 -3.374 1.00 72.40 H new ATOM 0 HB3 ASN A 59 -4.778 -9.759 -2.318 1.00 72.40 H new ATOM 0 HD21 ASN A 59 -8.544 -10.527 -0.754 1.00 60.11 H new ATOM 0 HD22 ASN A 59 -8.326 -10.032 -2.436 1.00 60.11 H new ATOM 1014 N ASP A 60 -7.750 -6.323 -2.611 1.00 21.22 N ATOM 1015 CA ASP A 60 -9.035 -5.734 -3.041 1.00 5.23 C ATOM 1016 C ASP A 60 -9.029 -4.216 -2.808 1.00 64.13 C ATOM 1017 O ASP A 60 -8.922 -3.761 -1.670 1.00 3.10 O ATOM 1018 CB ASP A 60 -10.226 -6.397 -2.295 1.00 64.41 C ATOM 1019 CG ASP A 60 -11.581 -5.718 -2.587 1.00 53.14 C ATOM 1020 OD1 ASP A 60 -11.923 -5.529 -3.782 1.00 72.20 O ATOM 1021 OD2 ASP A 60 -12.299 -5.352 -1.634 1.00 60.41 O ATOM 0 H ASP A 60 -7.314 -5.825 -1.835 1.00 21.22 H new ATOM 0 HA ASP A 60 -9.159 -5.922 -4.107 1.00 5.23 H new ATOM 0 HB2 ASP A 60 -10.285 -7.448 -2.579 1.00 64.41 H new ATOM 0 HB3 ASP A 60 -10.036 -6.367 -1.222 1.00 64.41 H new ATOM 1026 N LYS A 61 -9.178 -3.455 -3.911 1.00 24.43 N ATOM 1027 CA LYS A 61 -9.107 -1.973 -3.918 1.00 14.22 C ATOM 1028 C LYS A 61 -10.219 -1.304 -3.088 1.00 42.31 C ATOM 1029 O LYS A 61 -10.064 -0.148 -2.681 1.00 42.14 O ATOM 1030 CB LYS A 61 -9.141 -1.413 -5.372 1.00 30.14 C ATOM 1031 CG LYS A 61 -10.512 -1.514 -6.102 1.00 63.42 C ATOM 1032 CD LYS A 61 -10.849 -2.943 -6.594 1.00 11.32 C ATOM 1033 CE LYS A 61 -12.243 -3.045 -7.224 1.00 21.13 C ATOM 1034 NZ LYS A 61 -12.441 -4.344 -7.920 1.00 61.02 N ATOM 0 H LYS A 61 -9.353 -3.853 -4.834 1.00 24.43 H new ATOM 0 HA LYS A 61 -8.154 -1.726 -3.449 1.00 14.22 H new ATOM 0 HB2 LYS A 61 -8.841 -0.366 -5.345 1.00 30.14 H new ATOM 0 HB3 LYS A 61 -8.395 -1.944 -5.964 1.00 30.14 H new ATOM 0 HG2 LYS A 61 -11.299 -1.176 -5.428 1.00 63.42 H new ATOM 0 HG3 LYS A 61 -10.511 -0.836 -6.955 1.00 63.42 H new ATOM 0 HD2 LYS A 61 -10.102 -3.256 -7.324 1.00 11.32 H new ATOM 0 HD3 LYS A 61 -10.784 -3.635 -5.755 1.00 11.32 H new ATOM 0 HE2 LYS A 61 -13.001 -2.928 -6.450 1.00 21.13 H new ATOM 0 HE3 LYS A 61 -12.382 -2.228 -7.932 1.00 21.13 H new ATOM 0 HZ1 LYS A 61 -13.458 -4.517 -8.049 1.00 61.02 H new ATOM 0 HZ2 LYS A 61 -11.974 -4.315 -8.849 1.00 61.02 H new ATOM 0 HZ3 LYS A 61 -12.029 -5.110 -7.349 1.00 61.02 H new ATOM 1048 N GLN A 62 -11.329 -2.025 -2.844 1.00 45.42 N ATOM 1049 CA GLN A 62 -12.473 -1.480 -2.094 1.00 42.31 C ATOM 1050 C GLN A 62 -12.073 -1.305 -0.622 1.00 33.13 C ATOM 1051 O GLN A 62 -12.408 -0.294 0.002 1.00 23.25 O ATOM 1052 CB GLN A 62 -13.712 -2.403 -2.234 1.00 31.00 C ATOM 1053 CG GLN A 62 -14.176 -2.634 -3.687 1.00 14.04 C ATOM 1054 CD GLN A 62 -14.649 -1.357 -4.384 1.00 2.33 C ATOM 1055 OE1 GLN A 62 -13.867 -0.645 -5.018 1.00 72.10 O ATOM 1056 NE2 GLN A 62 -15.934 -1.058 -4.272 1.00 4.14 N ATOM 0 H GLN A 62 -11.457 -2.988 -3.156 1.00 45.42 H new ATOM 0 HA GLN A 62 -12.746 -0.508 -2.504 1.00 42.31 H new ATOM 0 HB2 GLN A 62 -13.484 -3.368 -1.781 1.00 31.00 H new ATOM 0 HB3 GLN A 62 -14.537 -1.972 -1.667 1.00 31.00 H new ATOM 0 HG2 GLN A 62 -13.355 -3.068 -4.258 1.00 14.04 H new ATOM 0 HG3 GLN A 62 -14.987 -3.362 -3.690 1.00 14.04 H new ATOM 0 HE21 GLN A 62 -16.555 -1.668 -3.740 1.00 4.14 H new ATOM 0 HE22 GLN A 62 -16.303 -0.218 -4.717 1.00 4.14 H new ATOM 1065 N LEU A 63 -11.300 -2.291 -0.110 1.00 71.23 N ATOM 1066 CA LEU A 63 -10.701 -2.233 1.241 1.00 53.23 C ATOM 1067 C LEU A 63 -9.799 -0.993 1.381 1.00 34.42 C ATOM 1068 O LEU A 63 -9.764 -0.364 2.433 1.00 21.30 O ATOM 1069 CB LEU A 63 -9.879 -3.522 1.533 1.00 62.04 C ATOM 1070 CG LEU A 63 -10.660 -4.868 1.434 1.00 11.33 C ATOM 1071 CD1 LEU A 63 -9.758 -6.076 1.747 1.00 44.42 C ATOM 1072 CD2 LEU A 63 -11.912 -4.857 2.331 1.00 11.04 C ATOM 0 H LEU A 63 -11.076 -3.145 -0.621 1.00 71.23 H new ATOM 0 HA LEU A 63 -11.511 -2.162 1.967 1.00 53.23 H new ATOM 0 HB2 LEU A 63 -9.040 -3.559 0.838 1.00 62.04 H new ATOM 0 HB3 LEU A 63 -9.459 -3.442 2.535 1.00 62.04 H new ATOM 0 HG LEU A 63 -10.993 -4.972 0.401 1.00 11.33 H new ATOM 0 HD11 LEU A 63 -10.339 -6.995 1.667 1.00 44.42 H new ATOM 0 HD12 LEU A 63 -8.932 -6.107 1.037 1.00 44.42 H new ATOM 0 HD13 LEU A 63 -9.363 -5.983 2.759 1.00 44.42 H new ATOM 0 HD21 LEU A 63 -12.434 -5.810 2.239 1.00 11.04 H new ATOM 0 HD22 LEU A 63 -11.615 -4.705 3.369 1.00 11.04 H new ATOM 0 HD23 LEU A 63 -12.575 -4.049 2.021 1.00 11.04 H new ATOM 1084 N LEU A 64 -9.095 -0.656 0.288 1.00 1.41 N ATOM 1085 CA LEU A 64 -8.165 0.489 0.233 1.00 2.32 C ATOM 1086 C LEU A 64 -8.924 1.824 0.226 1.00 73.34 C ATOM 1087 O LEU A 64 -8.433 2.802 0.788 1.00 11.21 O ATOM 1088 CB LEU A 64 -7.250 0.401 -1.014 1.00 52.40 C ATOM 1089 CG LEU A 64 -6.067 -0.612 -0.957 1.00 12.15 C ATOM 1090 CD1 LEU A 64 -6.526 -2.053 -0.730 1.00 62.14 C ATOM 1091 CD2 LEU A 64 -5.211 -0.519 -2.224 1.00 71.22 C ATOM 0 H LEU A 64 -9.154 -1.173 -0.589 1.00 1.41 H new ATOM 0 HA LEU A 64 -7.546 0.446 1.129 1.00 2.32 H new ATOM 0 HB2 LEU A 64 -7.872 0.147 -1.872 1.00 52.40 H new ATOM 0 HB3 LEU A 64 -6.838 1.392 -1.201 1.00 52.40 H new ATOM 0 HG LEU A 64 -5.463 -0.332 -0.094 1.00 12.15 H new ATOM 0 HD11 LEU A 64 -5.658 -2.711 -0.700 1.00 62.14 H new ATOM 0 HD12 LEU A 64 -7.064 -2.119 0.216 1.00 62.14 H new ATOM 0 HD13 LEU A 64 -7.184 -2.358 -1.544 1.00 62.14 H new ATOM 0 HD21 LEU A 64 -4.391 -1.235 -2.163 1.00 71.22 H new ATOM 0 HD22 LEU A 64 -5.825 -0.745 -3.096 1.00 71.22 H new ATOM 0 HD23 LEU A 64 -4.806 0.489 -2.317 1.00 71.22 H new ATOM 1103 N LYS A 65 -10.100 1.866 -0.434 1.00 12.34 N ATOM 1104 CA LYS A 65 -10.955 3.070 -0.448 1.00 13.35 C ATOM 1105 C LYS A 65 -11.380 3.415 0.982 1.00 72.51 C ATOM 1106 O LYS A 65 -11.203 4.549 1.435 1.00 51.03 O ATOM 1107 CB LYS A 65 -12.209 2.863 -1.335 1.00 14.34 C ATOM 1108 CG LYS A 65 -11.912 2.663 -2.831 1.00 1.35 C ATOM 1109 CD LYS A 65 -13.183 2.499 -3.688 1.00 44.54 C ATOM 1110 CE LYS A 65 -14.137 3.705 -3.593 1.00 52.14 C ATOM 1111 NZ LYS A 65 -15.344 3.532 -4.444 1.00 63.33 N ATOM 0 H LYS A 65 -10.478 1.081 -0.964 1.00 12.34 H new ATOM 0 HA LYS A 65 -10.378 3.893 -0.870 1.00 13.35 H new ATOM 0 HB2 LYS A 65 -12.758 1.995 -0.968 1.00 14.34 H new ATOM 0 HB3 LYS A 65 -12.865 3.726 -1.221 1.00 14.34 H new ATOM 0 HG2 LYS A 65 -11.342 3.516 -3.198 1.00 1.35 H new ATOM 0 HG3 LYS A 65 -11.282 1.782 -2.955 1.00 1.35 H new ATOM 0 HD2 LYS A 65 -12.895 2.352 -4.729 1.00 44.54 H new ATOM 0 HD3 LYS A 65 -13.712 1.599 -3.374 1.00 44.54 H new ATOM 0 HE2 LYS A 65 -14.442 3.844 -2.556 1.00 52.14 H new ATOM 0 HE3 LYS A 65 -13.608 4.609 -3.894 1.00 52.14 H new ATOM 0 HZ1 LYS A 65 -15.958 4.366 -4.350 1.00 63.33 H new ATOM 0 HZ2 LYS A 65 -15.056 3.425 -5.438 1.00 63.33 H new ATOM 0 HZ3 LYS A 65 -15.864 2.684 -4.141 1.00 63.33 H new ATOM 1125 N GLU A 66 -11.890 2.390 1.681 1.00 14.55 N ATOM 1126 CA GLU A 66 -12.365 2.513 3.071 1.00 43.21 C ATOM 1127 C GLU A 66 -11.195 2.811 4.032 1.00 10.31 C ATOM 1128 O GLU A 66 -11.359 3.516 5.038 1.00 20.03 O ATOM 1129 CB GLU A 66 -13.100 1.211 3.490 1.00 31.41 C ATOM 1130 CG GLU A 66 -14.157 0.701 2.484 1.00 2.02 C ATOM 1131 CD GLU A 66 -15.293 1.698 2.204 1.00 53.31 C ATOM 1132 OE1 GLU A 66 -16.282 1.706 2.966 1.00 73.24 O ATOM 1133 OE2 GLU A 66 -15.203 2.472 1.226 1.00 23.22 O ATOM 0 H GLU A 66 -11.986 1.449 1.299 1.00 14.55 H new ATOM 0 HA GLU A 66 -13.062 3.349 3.129 1.00 43.21 H new ATOM 0 HB2 GLU A 66 -12.358 0.427 3.643 1.00 31.41 H new ATOM 0 HB3 GLU A 66 -13.587 1.380 4.450 1.00 31.41 H new ATOM 0 HG2 GLU A 66 -13.661 0.459 1.544 1.00 2.02 H new ATOM 0 HG3 GLU A 66 -14.587 -0.225 2.865 1.00 2.02 H new ATOM 1140 N MET A 67 -10.016 2.263 3.692 1.00 44.50 N ATOM 1141 CA MET A 67 -8.781 2.422 4.471 1.00 55.53 C ATOM 1142 C MET A 67 -8.348 3.896 4.488 1.00 73.12 C ATOM 1143 O MET A 67 -8.221 4.525 5.546 1.00 45.53 O ATOM 1144 CB MET A 67 -7.662 1.536 3.844 1.00 15.21 C ATOM 1145 CG MET A 67 -6.379 1.394 4.673 1.00 33.11 C ATOM 1146 SD MET A 67 -5.077 0.490 3.815 1.00 2.13 S ATOM 1147 CE MET A 67 -5.859 -1.089 3.482 1.00 54.23 C ATOM 0 H MET A 67 -9.895 1.690 2.857 1.00 44.50 H new ATOM 0 HA MET A 67 -8.958 2.106 5.499 1.00 55.53 H new ATOM 0 HB2 MET A 67 -8.070 0.541 3.667 1.00 15.21 H new ATOM 0 HB3 MET A 67 -7.399 1.951 2.871 1.00 15.21 H new ATOM 0 HG2 MET A 67 -6.012 2.386 4.935 1.00 33.11 H new ATOM 0 HG3 MET A 67 -6.612 0.883 5.607 1.00 33.11 H new ATOM 0 HE1 MET A 67 -5.104 -1.810 3.170 1.00 54.23 H new ATOM 0 HE2 MET A 67 -6.353 -1.448 4.385 1.00 54.23 H new ATOM 0 HE3 MET A 67 -6.597 -0.970 2.688 1.00 54.23 H new ATOM 1157 N LEU A 68 -8.198 4.448 3.283 1.00 50.12 N ATOM 1158 CA LEU A 68 -7.657 5.795 3.062 1.00 13.42 C ATOM 1159 C LEU A 68 -8.615 6.908 3.541 1.00 62.11 C ATOM 1160 O LEU A 68 -8.175 8.039 3.711 1.00 34.41 O ATOM 1161 CB LEU A 68 -7.244 5.941 1.575 1.00 22.20 C ATOM 1162 CG LEU A 68 -6.066 4.996 1.143 1.00 34.22 C ATOM 1163 CD1 LEU A 68 -5.877 4.962 -0.377 1.00 15.12 C ATOM 1164 CD2 LEU A 68 -4.749 5.382 1.854 1.00 74.24 C ATOM 0 H LEU A 68 -8.452 3.968 2.420 1.00 50.12 H new ATOM 0 HA LEU A 68 -6.766 5.922 3.677 1.00 13.42 H new ATOM 0 HB2 LEU A 68 -8.110 5.735 0.946 1.00 22.20 H new ATOM 0 HB3 LEU A 68 -6.953 6.975 1.389 1.00 22.20 H new ATOM 0 HG LEU A 68 -6.340 3.988 1.455 1.00 34.22 H new ATOM 0 HD11 LEU A 68 -5.051 4.295 -0.626 1.00 15.12 H new ATOM 0 HD12 LEU A 68 -6.790 4.601 -0.849 1.00 15.12 H new ATOM 0 HD13 LEU A 68 -5.654 5.966 -0.739 1.00 15.12 H new ATOM 0 HD21 LEU A 68 -3.953 4.710 1.535 1.00 74.24 H new ATOM 0 HD22 LEU A 68 -4.484 6.407 1.597 1.00 74.24 H new ATOM 0 HD23 LEU A 68 -4.881 5.301 2.933 1.00 74.24 H new ATOM 1176 N GLU A 69 -9.916 6.581 3.750 1.00 53.54 N ATOM 1177 CA GLU A 69 -10.883 7.502 4.403 1.00 24.33 C ATOM 1178 C GLU A 69 -10.421 7.844 5.835 1.00 30.21 C ATOM 1179 O GLU A 69 -10.320 9.020 6.208 1.00 32.31 O ATOM 1180 CB GLU A 69 -12.311 6.885 4.467 1.00 73.24 C ATOM 1181 CG GLU A 69 -12.963 6.569 3.107 1.00 34.45 C ATOM 1182 CD GLU A 69 -13.022 7.776 2.156 1.00 72.31 C ATOM 1183 OE1 GLU A 69 -13.849 8.687 2.388 1.00 13.25 O ATOM 1184 OE2 GLU A 69 -12.237 7.832 1.178 1.00 23.42 O ATOM 0 H GLU A 69 -10.320 5.686 3.476 1.00 53.54 H new ATOM 0 HA GLU A 69 -10.920 8.408 3.798 1.00 24.33 H new ATOM 0 HB2 GLU A 69 -12.264 5.965 5.049 1.00 73.24 H new ATOM 0 HB3 GLU A 69 -12.960 7.572 5.010 1.00 73.24 H new ATOM 0 HG2 GLU A 69 -12.407 5.765 2.625 1.00 34.45 H new ATOM 0 HG3 GLU A 69 -13.975 6.200 3.276 1.00 34.45 H new ATOM 1191 N LEU A 70 -10.129 6.786 6.621 1.00 2.31 N ATOM 1192 CA LEU A 70 -9.706 6.917 8.030 1.00 40.41 C ATOM 1193 C LEU A 70 -8.283 7.503 8.111 1.00 34.40 C ATOM 1194 O LEU A 70 -7.978 8.299 9.008 1.00 13.34 O ATOM 1195 CB LEU A 70 -9.756 5.537 8.743 1.00 31.45 C ATOM 1196 CG LEU A 70 -11.112 4.767 8.683 1.00 30.20 C ATOM 1197 CD1 LEU A 70 -11.038 3.448 9.476 1.00 34.52 C ATOM 1198 CD2 LEU A 70 -12.287 5.641 9.169 1.00 2.31 C ATOM 0 H LEU A 70 -10.180 5.820 6.297 1.00 2.31 H new ATOM 0 HA LEU A 70 -10.394 7.596 8.534 1.00 40.41 H new ATOM 0 HB2 LEU A 70 -8.984 4.901 8.309 1.00 31.45 H new ATOM 0 HB3 LEU A 70 -9.495 5.685 9.791 1.00 31.45 H new ATOM 0 HG LEU A 70 -11.299 4.522 7.638 1.00 30.20 H new ATOM 0 HD11 LEU A 70 -11.997 2.933 9.416 1.00 34.52 H new ATOM 0 HD12 LEU A 70 -10.259 2.813 9.054 1.00 34.52 H new ATOM 0 HD13 LEU A 70 -10.806 3.663 10.519 1.00 34.52 H new ATOM 0 HD21 LEU A 70 -13.213 5.069 9.112 1.00 2.31 H new ATOM 0 HD22 LEU A 70 -12.111 5.946 10.201 1.00 2.31 H new ATOM 0 HD23 LEU A 70 -12.367 6.526 8.538 1.00 2.31 H new ATOM 1210 N ILE A 71 -7.429 7.102 7.146 1.00 61.31 N ATOM 1211 CA ILE A 71 -6.030 7.571 7.061 1.00 0.24 C ATOM 1212 C ILE A 71 -5.957 9.074 6.720 1.00 64.11 C ATOM 1213 O ILE A 71 -5.028 9.751 7.152 1.00 52.12 O ATOM 1214 CB ILE A 71 -5.202 6.722 6.023 1.00 35.43 C ATOM 1215 CG1 ILE A 71 -5.086 5.237 6.502 1.00 54.41 C ATOM 1216 CG2 ILE A 71 -3.800 7.329 5.766 1.00 31.00 C ATOM 1217 CD1 ILE A 71 -4.278 4.318 5.589 1.00 60.41 C ATOM 0 H ILE A 71 -7.688 6.448 6.408 1.00 61.31 H new ATOM 0 HA ILE A 71 -5.583 7.430 8.045 1.00 0.24 H new ATOM 0 HB ILE A 71 -5.740 6.744 5.075 1.00 35.43 H new ATOM 0 HG12 ILE A 71 -4.633 5.227 7.493 1.00 54.41 H new ATOM 0 HG13 ILE A 71 -6.090 4.827 6.606 1.00 54.41 H new ATOM 0 HG21 ILE A 71 -3.263 6.713 5.045 1.00 31.00 H new ATOM 0 HG22 ILE A 71 -3.908 8.339 5.371 1.00 31.00 H new ATOM 0 HG23 ILE A 71 -3.241 7.363 6.701 1.00 31.00 H new ATOM 0 HD11 ILE A 71 -4.258 3.313 6.010 1.00 60.41 H new ATOM 0 HD12 ILE A 71 -4.739 4.289 4.602 1.00 60.41 H new ATOM 0 HD13 ILE A 71 -3.259 4.695 5.503 1.00 60.41 H new ATOM 1229 N SER A 72 -6.936 9.583 5.940 1.00 4.24 N ATOM 1230 CA SER A 72 -7.048 11.028 5.621 1.00 32.01 C ATOM 1231 C SER A 72 -7.178 11.874 6.905 1.00 23.31 C ATOM 1232 O SER A 72 -6.607 12.967 7.003 1.00 43.15 O ATOM 1233 CB SER A 72 -8.260 11.288 4.692 1.00 0.23 C ATOM 1234 OG SER A 72 -8.074 10.712 3.407 1.00 22.42 O ATOM 0 H SER A 72 -7.666 9.011 5.516 1.00 4.24 H new ATOM 0 HA SER A 72 -6.135 11.325 5.105 1.00 32.01 H new ATOM 0 HB2 SER A 72 -9.161 10.877 5.147 1.00 0.23 H new ATOM 0 HB3 SER A 72 -8.415 12.362 4.590 1.00 0.23 H new ATOM 0 HG SER A 72 -8.397 9.787 3.414 1.00 22.42 H new ATOM 1240 N LYS A 73 -7.910 11.327 7.887 1.00 51.15 N ATOM 1241 CA LYS A 73 -8.192 11.992 9.171 1.00 15.44 C ATOM 1242 C LYS A 73 -6.947 11.993 10.077 1.00 3.10 C ATOM 1243 O LYS A 73 -6.733 12.929 10.857 1.00 2.31 O ATOM 1244 CB LYS A 73 -9.378 11.276 9.859 1.00 51.11 C ATOM 1245 CG LYS A 73 -10.658 11.226 8.991 1.00 74.01 C ATOM 1246 CD LYS A 73 -11.826 10.477 9.665 1.00 22.43 C ATOM 1247 CE LYS A 73 -12.273 11.126 10.989 1.00 51.44 C ATOM 1248 NZ LYS A 73 -12.688 12.548 10.815 1.00 33.22 N ATOM 0 H LYS A 73 -8.328 10.400 7.812 1.00 51.15 H new ATOM 0 HA LYS A 73 -8.458 13.033 8.987 1.00 15.44 H new ATOM 0 HB2 LYS A 73 -9.080 10.258 10.112 1.00 51.11 H new ATOM 0 HB3 LYS A 73 -9.604 11.784 10.796 1.00 51.11 H new ATOM 0 HG2 LYS A 73 -10.973 12.244 8.762 1.00 74.01 H new ATOM 0 HG3 LYS A 73 -10.426 10.743 8.042 1.00 74.01 H new ATOM 0 HD2 LYS A 73 -12.673 10.443 8.979 1.00 22.43 H new ATOM 0 HD3 LYS A 73 -11.528 9.446 9.855 1.00 22.43 H new ATOM 0 HE2 LYS A 73 -13.103 10.557 11.407 1.00 51.44 H new ATOM 0 HE3 LYS A 73 -11.457 11.074 11.709 1.00 51.44 H new ATOM 0 HZ1 LYS A 73 -13.059 12.914 11.715 1.00 33.22 H new ATOM 0 HZ2 LYS A 73 -11.867 13.116 10.522 1.00 33.22 H new ATOM 0 HZ3 LYS A 73 -13.427 12.607 10.086 1.00 33.22 H new ATOM 1262 N LEU A 74 -6.139 10.926 9.959 1.00 21.32 N ATOM 1263 CA LEU A 74 -4.860 10.796 10.680 1.00 64.54 C ATOM 1264 C LEU A 74 -3.761 11.646 9.992 1.00 43.23 C ATOM 1265 O LEU A 74 -2.869 12.177 10.663 1.00 12.23 O ATOM 1266 CB LEU A 74 -4.459 9.300 10.741 1.00 10.04 C ATOM 1267 CG LEU A 74 -5.490 8.341 11.426 1.00 20.42 C ATOM 1268 CD1 LEU A 74 -5.061 6.864 11.309 1.00 2.13 C ATOM 1269 CD2 LEU A 74 -5.730 8.738 12.900 1.00 34.53 C ATOM 0 H LEU A 74 -6.354 10.128 9.361 1.00 21.32 H new ATOM 0 HA LEU A 74 -4.974 11.170 11.697 1.00 64.54 H new ATOM 0 HB2 LEU A 74 -4.286 8.949 9.724 1.00 10.04 H new ATOM 0 HB3 LEU A 74 -3.510 9.220 11.271 1.00 10.04 H new ATOM 0 HG LEU A 74 -6.435 8.448 10.893 1.00 20.42 H new ATOM 0 HD11 LEU A 74 -5.802 6.230 11.796 1.00 2.13 H new ATOM 0 HD12 LEU A 74 -4.984 6.590 10.257 1.00 2.13 H new ATOM 0 HD13 LEU A 74 -4.093 6.727 11.791 1.00 2.13 H new ATOM 0 HD21 LEU A 74 -6.450 8.054 13.348 1.00 34.53 H new ATOM 0 HD22 LEU A 74 -4.790 8.686 13.449 1.00 34.53 H new ATOM 0 HD23 LEU A 74 -6.120 9.755 12.944 1.00 34.53 H new ATOM 1281 N GLY A 75 -3.879 11.766 8.657 1.00 71.15 N ATOM 1282 CA GLY A 75 -2.982 12.562 7.812 1.00 34.32 C ATOM 1283 C GLY A 75 -1.513 12.140 7.857 1.00 34.42 C ATOM 1284 O GLY A 75 -0.722 12.744 8.595 1.00 41.22 O ATOM 0 H GLY A 75 -4.617 11.301 8.129 1.00 71.15 H new ATOM 0 HA2 GLY A 75 -3.330 12.503 6.781 1.00 34.32 H new ATOM 0 HA3 GLY A 75 -3.054 13.607 8.114 1.00 34.32 H new ATOM 1288 N TYR A 76 -1.147 11.101 7.075 1.00 40.22 N ATOM 1289 CA TYR A 76 0.263 10.669 6.917 1.00 33.24 C ATOM 1290 C TYR A 76 0.517 10.073 5.521 1.00 3.33 C ATOM 1291 O TYR A 76 -0.421 9.739 4.786 1.00 34.43 O ATOM 1292 CB TYR A 76 0.717 9.684 8.037 1.00 72.12 C ATOM 1293 CG TYR A 76 -0.122 8.404 8.208 1.00 24.31 C ATOM 1294 CD1 TYR A 76 -1.241 8.388 9.039 1.00 51.20 C ATOM 1295 CD2 TYR A 76 0.221 7.212 7.563 1.00 70.11 C ATOM 1296 CE1 TYR A 76 -1.971 7.238 9.231 1.00 32.31 C ATOM 1297 CE2 TYR A 76 -0.516 6.062 7.749 1.00 22.04 C ATOM 1298 CZ TYR A 76 -1.616 6.081 8.583 1.00 42.43 C ATOM 1299 OH TYR A 76 -2.349 4.931 8.783 1.00 53.13 O ATOM 0 H TYR A 76 -1.811 10.542 6.540 1.00 40.22 H new ATOM 0 HA TYR A 76 0.873 11.567 7.018 1.00 33.24 H new ATOM 0 HB2 TYR A 76 1.748 9.392 7.837 1.00 72.12 H new ATOM 0 HB3 TYR A 76 0.716 10.222 8.985 1.00 72.12 H new ATOM 0 HD1 TYR A 76 -1.541 9.296 9.542 1.00 51.20 H new ATOM 0 HD2 TYR A 76 1.079 7.192 6.907 1.00 70.11 H new ATOM 0 HE1 TYR A 76 -2.825 7.245 9.893 1.00 32.31 H new ATOM 0 HE2 TYR A 76 -0.234 5.150 7.244 1.00 22.04 H new ATOM 0 HH TYR A 76 -3.203 5.157 9.208 1.00 53.13 H new ATOM 1309 N LYS A 77 1.810 9.947 5.184 1.00 65.11 N ATOM 1310 CA LYS A 77 2.271 9.467 3.876 1.00 62.10 C ATOM 1311 C LYS A 77 2.143 7.942 3.762 1.00 23.30 C ATOM 1312 O LYS A 77 2.928 7.186 4.348 1.00 32.25 O ATOM 1313 CB LYS A 77 3.738 9.918 3.635 1.00 65.05 C ATOM 1314 CG LYS A 77 3.884 11.397 3.209 1.00 5.32 C ATOM 1315 CD LYS A 77 3.439 11.618 1.738 1.00 60.21 C ATOM 1316 CE LYS A 77 3.257 13.103 1.378 1.00 12.05 C ATOM 1317 NZ LYS A 77 2.806 13.292 -0.026 1.00 72.11 N ATOM 0 H LYS A 77 2.572 10.179 5.821 1.00 65.11 H new ATOM 0 HA LYS A 77 1.635 9.905 3.106 1.00 62.10 H new ATOM 0 HB2 LYS A 77 4.311 9.756 4.548 1.00 65.05 H new ATOM 0 HB3 LYS A 77 4.179 9.285 2.866 1.00 65.05 H new ATOM 0 HG2 LYS A 77 3.286 12.026 3.868 1.00 5.32 H new ATOM 0 HG3 LYS A 77 4.922 11.709 3.326 1.00 5.32 H new ATOM 0 HD2 LYS A 77 4.179 11.177 1.071 1.00 60.21 H new ATOM 0 HD3 LYS A 77 2.501 11.091 1.566 1.00 60.21 H new ATOM 0 HE2 LYS A 77 2.530 13.552 2.054 1.00 12.05 H new ATOM 0 HE3 LYS A 77 4.200 13.629 1.528 1.00 12.05 H new ATOM 0 HZ1 LYS A 77 2.939 14.286 -0.303 1.00 72.11 H new ATOM 0 HZ2 LYS A 77 3.363 12.680 -0.655 1.00 72.11 H new ATOM 0 HZ3 LYS A 77 1.799 13.043 -0.104 1.00 72.11 H new ATOM 1331 N VAL A 78 1.102 7.522 3.038 1.00 54.45 N ATOM 1332 CA VAL A 78 0.924 6.139 2.601 1.00 0.02 C ATOM 1333 C VAL A 78 1.404 6.010 1.148 1.00 74.04 C ATOM 1334 O VAL A 78 1.046 6.833 0.288 1.00 14.34 O ATOM 1335 CB VAL A 78 -0.574 5.688 2.729 1.00 2.24 C ATOM 1336 CG1 VAL A 78 -0.791 4.248 2.206 1.00 61.11 C ATOM 1337 CG2 VAL A 78 -1.040 5.803 4.191 1.00 72.13 C ATOM 0 H VAL A 78 0.351 8.143 2.736 1.00 54.45 H new ATOM 0 HA VAL A 78 1.515 5.486 3.243 1.00 0.02 H new ATOM 0 HB VAL A 78 -1.173 6.354 2.108 1.00 2.24 H new ATOM 0 HG11 VAL A 78 -1.841 3.976 2.313 1.00 61.11 H new ATOM 0 HG12 VAL A 78 -0.508 4.196 1.155 1.00 61.11 H new ATOM 0 HG13 VAL A 78 -0.177 3.556 2.781 1.00 61.11 H new ATOM 0 HG21 VAL A 78 -2.081 5.487 4.267 1.00 72.13 H new ATOM 0 HG22 VAL A 78 -0.420 5.165 4.822 1.00 72.13 H new ATOM 0 HG23 VAL A 78 -0.950 6.838 4.521 1.00 72.13 H new ATOM 1347 N PHE A 79 2.226 4.985 0.895 1.00 42.52 N ATOM 1348 CA PHE A 79 2.770 4.697 -0.426 1.00 55.54 C ATOM 1349 C PHE A 79 1.993 3.520 -1.018 1.00 52.23 C ATOM 1350 O PHE A 79 2.231 2.375 -0.656 1.00 53.43 O ATOM 1351 CB PHE A 79 4.269 4.335 -0.301 1.00 23.23 C ATOM 1352 CG PHE A 79 5.152 5.451 0.255 1.00 73.21 C ATOM 1353 CD1 PHE A 79 5.309 5.623 1.632 1.00 25.52 C ATOM 1354 CD2 PHE A 79 5.825 6.321 -0.599 1.00 12.32 C ATOM 1355 CE1 PHE A 79 6.111 6.624 2.122 1.00 54.13 C ATOM 1356 CE2 PHE A 79 6.631 7.321 -0.107 1.00 0.41 C ATOM 1357 CZ PHE A 79 6.773 7.475 1.251 1.00 3.30 C ATOM 0 H PHE A 79 2.532 4.328 1.613 1.00 42.52 H new ATOM 0 HA PHE A 79 2.675 5.568 -1.075 1.00 55.54 H new ATOM 0 HB2 PHE A 79 4.365 3.460 0.342 1.00 23.23 H new ATOM 0 HB3 PHE A 79 4.643 4.050 -1.284 1.00 23.23 H new ATOM 0 HD1 PHE A 79 4.796 4.964 2.316 1.00 25.52 H new ATOM 0 HD2 PHE A 79 5.712 6.208 -1.667 1.00 12.32 H new ATOM 0 HE1 PHE A 79 6.226 6.749 3.189 1.00 54.13 H new ATOM 0 HE2 PHE A 79 7.150 7.982 -0.785 1.00 0.41 H new ATOM 0 HZ PHE A 79 7.402 8.261 1.641 1.00 3.30 H new ATOM 1367 N LEU A 80 1.091 3.812 -1.948 1.00 70.23 N ATOM 1368 CA LEU A 80 0.238 2.817 -2.582 1.00 72.21 C ATOM 1369 C LEU A 80 0.848 2.350 -3.912 1.00 44.04 C ATOM 1370 O LEU A 80 1.344 3.149 -4.704 1.00 2.32 O ATOM 1371 CB LEU A 80 -1.188 3.394 -2.772 1.00 64.42 C ATOM 1372 CG LEU A 80 -2.214 2.497 -3.545 1.00 54.23 C ATOM 1373 CD1 LEU A 80 -2.281 1.078 -2.964 1.00 64.21 C ATOM 1374 CD2 LEU A 80 -3.612 3.150 -3.580 1.00 45.41 C ATOM 0 H LEU A 80 0.930 4.761 -2.287 1.00 70.23 H new ATOM 0 HA LEU A 80 0.165 1.941 -1.937 1.00 72.21 H new ATOM 0 HB2 LEU A 80 -1.601 3.611 -1.787 1.00 64.42 H new ATOM 0 HB3 LEU A 80 -1.103 4.344 -3.299 1.00 64.42 H new ATOM 0 HG LEU A 80 -1.858 2.411 -4.572 1.00 54.23 H new ATOM 0 HD11 LEU A 80 -3.004 0.488 -3.528 1.00 64.21 H new ATOM 0 HD12 LEU A 80 -1.299 0.610 -3.032 1.00 64.21 H new ATOM 0 HD13 LEU A 80 -2.588 1.127 -1.919 1.00 64.21 H new ATOM 0 HD21 LEU A 80 -4.302 2.504 -4.123 1.00 45.41 H new ATOM 0 HD22 LEU A 80 -3.973 3.292 -2.561 1.00 45.41 H new ATOM 0 HD23 LEU A 80 -3.550 4.116 -4.080 1.00 45.41 H new ATOM 1386 N LEU A 81 0.816 1.032 -4.116 1.00 13.21 N ATOM 1387 CA LEU A 81 1.222 0.384 -5.356 1.00 64.23 C ATOM 1388 C LEU A 81 0.045 -0.415 -5.902 1.00 41.34 C ATOM 1389 O LEU A 81 -0.581 -1.197 -5.170 1.00 42.53 O ATOM 1390 CB LEU A 81 2.427 -0.544 -5.113 1.00 71.24 C ATOM 1391 CG LEU A 81 2.932 -1.366 -6.341 1.00 44.51 C ATOM 1392 CD1 LEU A 81 3.337 -0.446 -7.508 1.00 32.21 C ATOM 1393 CD2 LEU A 81 4.085 -2.297 -5.935 1.00 65.21 C ATOM 0 H LEU A 81 0.499 0.373 -3.404 1.00 13.21 H new ATOM 0 HA LEU A 81 1.521 1.142 -6.080 1.00 64.23 H new ATOM 0 HB2 LEU A 81 3.255 0.061 -4.744 1.00 71.24 H new ATOM 0 HB3 LEU A 81 2.165 -1.243 -4.319 1.00 71.24 H new ATOM 0 HG LEU A 81 2.106 -1.986 -6.691 1.00 44.51 H new ATOM 0 HD11 LEU A 81 3.683 -1.052 -8.345 1.00 32.21 H new ATOM 0 HD12 LEU A 81 2.477 0.146 -7.820 1.00 32.21 H new ATOM 0 HD13 LEU A 81 4.138 0.219 -7.186 1.00 32.21 H new ATOM 0 HD21 LEU A 81 4.422 -2.860 -6.805 1.00 65.21 H new ATOM 0 HD22 LEU A 81 4.912 -1.703 -5.545 1.00 65.21 H new ATOM 0 HD23 LEU A 81 3.741 -2.989 -5.166 1.00 65.21 H new ATOM 1405 N LEU A 82 -0.247 -0.203 -7.180 1.00 34.20 N ATOM 1406 CA LEU A 82 -1.271 -0.935 -7.909 1.00 52.34 C ATOM 1407 C LEU A 82 -0.592 -1.746 -9.009 1.00 32.44 C ATOM 1408 O LEU A 82 -0.183 -1.181 -10.021 1.00 52.41 O ATOM 1409 CB LEU A 82 -2.298 0.068 -8.488 1.00 24.23 C ATOM 1410 CG LEU A 82 -3.080 0.914 -7.439 1.00 52.12 C ATOM 1411 CD1 LEU A 82 -4.033 1.900 -8.124 1.00 3.41 C ATOM 1412 CD2 LEU A 82 -3.834 0.007 -6.437 1.00 1.03 C ATOM 0 H LEU A 82 0.232 0.496 -7.748 1.00 34.20 H new ATOM 0 HA LEU A 82 -1.808 -1.620 -7.253 1.00 52.34 H new ATOM 0 HB2 LEU A 82 -1.775 0.749 -9.160 1.00 24.23 H new ATOM 0 HB3 LEU A 82 -3.018 -0.485 -9.092 1.00 24.23 H new ATOM 0 HG LEU A 82 -2.353 1.496 -6.873 1.00 52.12 H new ATOM 0 HD11 LEU A 82 -4.565 2.477 -7.368 1.00 3.41 H new ATOM 0 HD12 LEU A 82 -3.462 2.576 -8.760 1.00 3.41 H new ATOM 0 HD13 LEU A 82 -4.751 1.349 -8.732 1.00 3.41 H new ATOM 0 HD21 LEU A 82 -4.370 0.626 -5.718 1.00 1.03 H new ATOM 0 HD22 LEU A 82 -4.544 -0.620 -6.977 1.00 1.03 H new ATOM 0 HD23 LEU A 82 -3.120 -0.625 -5.910 1.00 1.03 H new ATOM 1424 N ALA A 83 -0.432 -3.060 -8.787 1.00 41.21 N ATOM 1425 CA ALA A 83 0.215 -3.963 -9.757 1.00 23.25 C ATOM 1426 C ALA A 83 -0.787 -5.024 -10.243 1.00 3.23 C ATOM 1427 O ALA A 83 -1.144 -5.953 -9.510 1.00 70.22 O ATOM 1428 CB ALA A 83 1.461 -4.606 -9.127 1.00 22.03 C ATOM 0 H ALA A 83 -0.745 -3.526 -7.935 1.00 41.21 H new ATOM 0 HA ALA A 83 0.538 -3.390 -10.626 1.00 23.25 H new ATOM 0 HB1 ALA A 83 1.932 -5.271 -9.850 1.00 22.03 H new ATOM 0 HB2 ALA A 83 2.166 -3.827 -8.838 1.00 22.03 H new ATOM 0 HB3 ALA A 83 1.170 -5.177 -8.245 1.00 22.03 H new ATOM 1434 N ASP A 84 -1.210 -4.880 -11.494 1.00 33.13 N ATOM 1435 CA ASP A 84 -2.186 -5.772 -12.134 1.00 25.12 C ATOM 1436 C ASP A 84 -2.251 -5.422 -13.620 1.00 2.00 C ATOM 1437 O ASP A 84 -2.165 -4.247 -13.996 1.00 22.33 O ATOM 1438 CB ASP A 84 -3.592 -5.655 -11.456 1.00 53.13 C ATOM 1439 CG ASP A 84 -4.727 -6.470 -12.122 1.00 41.11 C ATOM 1440 OD1 ASP A 84 -4.465 -7.550 -12.709 1.00 22.21 O ATOM 1441 OD2 ASP A 84 -5.893 -6.036 -12.041 1.00 22.14 O ATOM 0 H ASP A 84 -0.884 -4.132 -12.106 1.00 33.13 H new ATOM 0 HA ASP A 84 -1.871 -6.809 -12.016 1.00 25.12 H new ATOM 0 HB2 ASP A 84 -3.502 -5.973 -10.417 1.00 53.13 H new ATOM 0 HB3 ASP A 84 -3.883 -4.605 -11.443 1.00 53.13 H new ATOM 1446 N GLN A 85 -2.401 -6.453 -14.455 1.00 23.51 N ATOM 1447 CA GLN A 85 -2.395 -6.311 -15.915 1.00 25.35 C ATOM 1448 C GLN A 85 -3.713 -5.675 -16.415 1.00 71.22 C ATOM 1449 O GLN A 85 -3.766 -5.150 -17.532 1.00 10.11 O ATOM 1450 CB GLN A 85 -2.103 -7.689 -16.559 1.00 21.31 C ATOM 1451 CG GLN A 85 -0.755 -8.301 -16.097 1.00 2.43 C ATOM 1452 CD GLN A 85 -0.401 -9.639 -16.755 1.00 42.54 C ATOM 1453 OE1 GLN A 85 -1.279 -10.409 -17.149 1.00 44.32 O ATOM 1454 NE2 GLN A 85 0.893 -9.928 -16.864 1.00 33.34 N ATOM 0 H GLN A 85 -2.531 -7.414 -14.137 1.00 23.51 H new ATOM 0 HA GLN A 85 -1.602 -5.628 -16.219 1.00 25.35 H new ATOM 0 HB2 GLN A 85 -2.911 -8.377 -16.313 1.00 21.31 H new ATOM 0 HB3 GLN A 85 -2.094 -7.582 -17.644 1.00 21.31 H new ATOM 0 HG2 GLN A 85 0.042 -7.587 -16.304 1.00 2.43 H new ATOM 0 HG3 GLN A 85 -0.786 -8.440 -15.016 1.00 2.43 H new ATOM 0 HE21 GLN A 85 1.593 -9.267 -16.527 1.00 33.34 H new ATOM 0 HE22 GLN A 85 1.185 -10.810 -17.284 1.00 33.34 H new ATOM 1463 N ASP A 86 -4.773 -5.711 -15.565 1.00 12.43 N ATOM 1464 CA ASP A 86 -5.966 -4.863 -15.747 1.00 54.32 C ATOM 1465 C ASP A 86 -5.642 -3.476 -15.155 1.00 65.22 C ATOM 1466 O ASP A 86 -6.035 -3.138 -14.032 1.00 0.54 O ATOM 1467 CB ASP A 86 -7.232 -5.487 -15.091 1.00 45.15 C ATOM 1468 CG ASP A 86 -8.523 -4.690 -15.391 1.00 1.21 C ATOM 1469 OD1 ASP A 86 -9.135 -4.911 -16.459 1.00 10.43 O ATOM 1470 OD2 ASP A 86 -8.923 -3.827 -14.573 1.00 62.42 O ATOM 0 H ASP A 86 -4.819 -6.321 -14.749 1.00 12.43 H new ATOM 0 HA ASP A 86 -6.201 -4.775 -16.808 1.00 54.32 H new ATOM 0 HB2 ASP A 86 -7.352 -6.510 -15.447 1.00 45.15 H new ATOM 0 HB3 ASP A 86 -7.087 -5.540 -14.012 1.00 45.15 H new ATOM 1475 N GLU A 87 -4.859 -2.710 -15.923 1.00 43.10 N ATOM 1476 CA GLU A 87 -4.347 -1.392 -15.521 1.00 23.53 C ATOM 1477 C GLU A 87 -5.423 -0.293 -15.657 1.00 31.31 C ATOM 1478 O GLU A 87 -5.248 0.815 -15.143 1.00 54.41 O ATOM 1479 CB GLU A 87 -3.102 -1.029 -16.367 1.00 41.12 C ATOM 1480 CG GLU A 87 -3.359 -0.903 -17.887 1.00 65.21 C ATOM 1481 CD GLU A 87 -2.220 -0.184 -18.638 1.00 54.00 C ATOM 1482 OE1 GLU A 87 -1.133 -0.769 -18.782 1.00 2.31 O ATOM 1483 OE2 GLU A 87 -2.395 0.992 -19.038 1.00 23.04 O ATOM 0 H GLU A 87 -4.558 -2.991 -16.856 1.00 43.10 H new ATOM 0 HA GLU A 87 -4.068 -1.449 -14.469 1.00 23.53 H new ATOM 0 HB2 GLU A 87 -2.696 -0.085 -16.003 1.00 41.12 H new ATOM 0 HB3 GLU A 87 -2.337 -1.788 -16.205 1.00 41.12 H new ATOM 0 HG2 GLU A 87 -3.493 -1.899 -18.310 1.00 65.21 H new ATOM 0 HG3 GLU A 87 -4.291 -0.361 -18.048 1.00 65.21 H new ATOM 1490 N ASN A 88 -6.508 -0.613 -16.382 1.00 14.22 N ATOM 1491 CA ASN A 88 -7.618 0.316 -16.651 1.00 71.04 C ATOM 1492 C ASN A 88 -8.310 0.740 -15.337 1.00 52.44 C ATOM 1493 O ASN A 88 -8.463 1.937 -15.063 1.00 54.43 O ATOM 1494 CB ASN A 88 -8.634 -0.355 -17.615 1.00 21.13 C ATOM 1495 CG ASN A 88 -9.804 0.549 -18.018 1.00 23.25 C ATOM 1496 OD1 ASN A 88 -9.655 1.758 -18.154 1.00 43.24 O ATOM 1497 ND2 ASN A 88 -10.985 -0.026 -18.197 1.00 0.11 N ATOM 0 H ASN A 88 -6.640 -1.533 -16.802 1.00 14.22 H new ATOM 0 HA ASN A 88 -7.221 1.215 -17.122 1.00 71.04 H new ATOM 0 HB2 ASN A 88 -8.108 -0.674 -18.515 1.00 21.13 H new ATOM 0 HB3 ASN A 88 -9.029 -1.254 -17.141 1.00 21.13 H new ATOM 0 HD21 ASN A 88 -11.794 0.540 -18.454 1.00 0.11 H new ATOM 0 HD22 ASN A 88 -11.085 -1.034 -18.078 1.00 0.11 H new ATOM 1504 N GLU A 89 -8.690 -0.257 -14.514 1.00 52.23 N ATOM 1505 CA GLU A 89 -9.347 -0.008 -13.219 1.00 2.24 C ATOM 1506 C GLU A 89 -8.339 0.550 -12.197 1.00 3.15 C ATOM 1507 O GLU A 89 -8.715 1.351 -11.329 1.00 25.43 O ATOM 1508 CB GLU A 89 -10.020 -1.296 -12.685 1.00 4.11 C ATOM 1509 CG GLU A 89 -10.765 -1.122 -11.344 1.00 30.42 C ATOM 1510 CD GLU A 89 -11.470 -2.401 -10.871 1.00 12.52 C ATOM 1511 OE1 GLU A 89 -10.829 -3.231 -10.194 1.00 0.22 O ATOM 1512 OE2 GLU A 89 -12.665 -2.586 -11.187 1.00 74.41 O ATOM 0 H GLU A 89 -8.552 -1.245 -14.726 1.00 52.23 H new ATOM 0 HA GLU A 89 -10.126 0.739 -13.371 1.00 2.24 H new ATOM 0 HB2 GLU A 89 -10.725 -1.659 -13.433 1.00 4.11 H new ATOM 0 HB3 GLU A 89 -9.258 -2.066 -12.565 1.00 4.11 H new ATOM 0 HG2 GLU A 89 -10.055 -0.803 -10.581 1.00 30.42 H new ATOM 0 HG3 GLU A 89 -11.502 -0.326 -11.446 1.00 30.42 H new ATOM 1519 N LEU A 90 -7.055 0.133 -12.312 1.00 32.45 N ATOM 1520 CA LEU A 90 -5.964 0.695 -11.485 1.00 61.43 C ATOM 1521 C LEU A 90 -5.841 2.204 -11.723 1.00 33.33 C ATOM 1522 O LEU A 90 -5.674 2.958 -10.771 1.00 45.34 O ATOM 1523 CB LEU A 90 -4.600 0.027 -11.783 1.00 5.12 C ATOM 1524 CG LEU A 90 -4.505 -1.512 -11.579 1.00 50.11 C ATOM 1525 CD1 LEU A 90 -3.064 -1.985 -11.798 1.00 23.43 C ATOM 1526 CD2 LEU A 90 -5.040 -1.957 -10.199 1.00 2.23 C ATOM 0 H LEU A 90 -6.752 -0.588 -12.967 1.00 32.45 H new ATOM 0 HA LEU A 90 -6.221 0.496 -10.445 1.00 61.43 H new ATOM 0 HB2 LEU A 90 -4.334 0.248 -12.817 1.00 5.12 H new ATOM 0 HB3 LEU A 90 -3.847 0.499 -11.152 1.00 5.12 H new ATOM 0 HG LEU A 90 -5.146 -1.984 -12.323 1.00 50.11 H new ATOM 0 HD11 LEU A 90 -3.009 -3.064 -11.653 1.00 23.43 H new ATOM 0 HD12 LEU A 90 -2.751 -1.739 -12.813 1.00 23.43 H new ATOM 0 HD13 LEU A 90 -2.406 -1.489 -11.085 1.00 23.43 H new ATOM 0 HD21 LEU A 90 -4.952 -3.039 -10.106 1.00 2.23 H new ATOM 0 HD22 LEU A 90 -4.459 -1.477 -9.411 1.00 2.23 H new ATOM 0 HD23 LEU A 90 -6.087 -1.669 -10.105 1.00 2.23 H new ATOM 1538 N GLU A 91 -5.944 2.616 -13.008 1.00 0.45 N ATOM 1539 CA GLU A 91 -5.862 4.032 -13.416 1.00 14.43 C ATOM 1540 C GLU A 91 -6.978 4.837 -12.735 1.00 71.55 C ATOM 1541 O GLU A 91 -6.707 5.853 -12.093 1.00 5.52 O ATOM 1542 CB GLU A 91 -5.985 4.194 -14.955 1.00 24.31 C ATOM 1543 CG GLU A 91 -5.795 5.656 -15.452 1.00 72.44 C ATOM 1544 CD GLU A 91 -6.408 5.932 -16.838 1.00 70.21 C ATOM 1545 OE1 GLU A 91 -5.905 5.383 -17.839 1.00 10.43 O ATOM 1546 OE2 GLU A 91 -7.394 6.707 -16.934 1.00 51.21 O ATOM 0 H GLU A 91 -6.086 1.974 -13.788 1.00 0.45 H new ATOM 0 HA GLU A 91 -4.886 4.407 -13.109 1.00 14.43 H new ATOM 0 HB2 GLU A 91 -5.244 3.557 -15.438 1.00 24.31 H new ATOM 0 HB3 GLU A 91 -6.966 3.838 -15.271 1.00 24.31 H new ATOM 0 HG2 GLU A 91 -6.242 6.336 -14.727 1.00 72.44 H new ATOM 0 HG3 GLU A 91 -4.729 5.881 -15.486 1.00 72.44 H new ATOM 1553 N GLU A 92 -8.224 4.334 -12.868 1.00 5.30 N ATOM 1554 CA GLU A 92 -9.424 4.966 -12.287 1.00 34.11 C ATOM 1555 C GLU A 92 -9.237 5.201 -10.783 1.00 3.23 C ATOM 1556 O GLU A 92 -9.435 6.316 -10.293 1.00 4.11 O ATOM 1557 CB GLU A 92 -10.676 4.078 -12.522 1.00 32.42 C ATOM 1558 CG GLU A 92 -11.043 3.845 -14.002 1.00 13.25 C ATOM 1559 CD GLU A 92 -11.324 5.147 -14.785 1.00 50.44 C ATOM 1560 OE1 GLU A 92 -12.204 5.936 -14.363 1.00 61.23 O ATOM 1561 OE2 GLU A 92 -10.690 5.378 -15.832 1.00 51.32 O ATOM 0 H GLU A 92 -8.424 3.476 -13.383 1.00 5.30 H new ATOM 0 HA GLU A 92 -9.570 5.927 -12.781 1.00 34.11 H new ATOM 0 HB2 GLU A 92 -10.511 3.111 -12.048 1.00 32.42 H new ATOM 0 HB3 GLU A 92 -11.528 4.537 -12.020 1.00 32.42 H new ATOM 0 HG2 GLU A 92 -10.229 3.307 -14.489 1.00 13.25 H new ATOM 0 HG3 GLU A 92 -11.923 3.204 -14.052 1.00 13.25 H new ATOM 1568 N PHE A 93 -8.815 4.134 -10.090 1.00 61.11 N ATOM 1569 CA PHE A 93 -8.649 4.116 -8.632 1.00 62.52 C ATOM 1570 C PHE A 93 -7.566 5.123 -8.168 1.00 60.21 C ATOM 1571 O PHE A 93 -7.844 5.973 -7.311 1.00 65.22 O ATOM 1572 CB PHE A 93 -8.323 2.669 -8.167 1.00 20.24 C ATOM 1573 CG PHE A 93 -8.122 2.515 -6.655 1.00 54.22 C ATOM 1574 CD1 PHE A 93 -9.057 3.023 -5.758 1.00 32.41 C ATOM 1575 CD2 PHE A 93 -6.991 1.892 -6.140 1.00 51.25 C ATOM 1576 CE1 PHE A 93 -8.861 2.905 -4.404 1.00 33.41 C ATOM 1577 CE2 PHE A 93 -6.805 1.769 -4.787 1.00 2.20 C ATOM 1578 CZ PHE A 93 -7.736 2.286 -3.919 1.00 43.53 C ATOM 0 H PHE A 93 -8.576 3.247 -10.534 1.00 61.11 H new ATOM 0 HA PHE A 93 -9.583 4.432 -8.168 1.00 62.52 H new ATOM 0 HB2 PHE A 93 -9.132 2.009 -8.482 1.00 20.24 H new ATOM 0 HB3 PHE A 93 -7.420 2.332 -8.677 1.00 20.24 H new ATOM 0 HD1 PHE A 93 -9.944 3.514 -6.130 1.00 32.41 H new ATOM 0 HD2 PHE A 93 -6.247 1.498 -6.816 1.00 51.25 H new ATOM 0 HE1 PHE A 93 -9.595 3.301 -3.718 1.00 33.41 H new ATOM 0 HE2 PHE A 93 -5.929 1.267 -4.405 1.00 2.20 H new ATOM 0 HZ PHE A 93 -7.582 2.205 -2.853 1.00 43.53 H new ATOM 1588 N LYS A 94 -6.360 5.061 -8.776 1.00 45.33 N ATOM 1589 CA LYS A 94 -5.208 5.904 -8.362 1.00 13.12 C ATOM 1590 C LYS A 94 -5.474 7.395 -8.600 1.00 70.22 C ATOM 1591 O LYS A 94 -4.813 8.228 -8.009 1.00 74.14 O ATOM 1592 CB LYS A 94 -3.870 5.458 -9.044 1.00 23.35 C ATOM 1593 CG LYS A 94 -3.816 5.464 -10.596 1.00 61.24 C ATOM 1594 CD LYS A 94 -3.557 6.844 -11.257 1.00 61.20 C ATOM 1595 CE LYS A 94 -2.198 7.457 -10.878 1.00 1.13 C ATOM 1596 NZ LYS A 94 -1.948 8.736 -11.598 1.00 45.11 N ATOM 0 H LYS A 94 -6.156 4.436 -9.556 1.00 45.33 H new ATOM 0 HA LYS A 94 -5.091 5.755 -7.289 1.00 13.12 H new ATOM 0 HB2 LYS A 94 -3.074 6.107 -8.678 1.00 23.35 H new ATOM 0 HB3 LYS A 94 -3.640 4.448 -8.704 1.00 23.35 H new ATOM 0 HG2 LYS A 94 -3.033 4.776 -10.916 1.00 61.24 H new ATOM 0 HG3 LYS A 94 -4.760 5.072 -10.975 1.00 61.24 H new ATOM 0 HD2 LYS A 94 -3.609 6.735 -12.340 1.00 61.20 H new ATOM 0 HD3 LYS A 94 -4.351 7.532 -10.967 1.00 61.20 H new ATOM 0 HE2 LYS A 94 -2.166 7.633 -9.803 1.00 1.13 H new ATOM 0 HE3 LYS A 94 -1.403 6.748 -11.109 1.00 1.13 H new ATOM 0 HZ1 LYS A 94 -0.923 8.901 -11.667 1.00 45.11 H new ATOM 0 HZ2 LYS A 94 -2.355 8.682 -12.553 1.00 45.11 H new ATOM 0 HZ3 LYS A 94 -2.391 9.520 -11.077 1.00 45.11 H new ATOM 1610 N ARG A 95 -6.420 7.711 -9.497 1.00 0.24 N ATOM 1611 CA ARG A 95 -6.793 9.101 -9.813 1.00 44.22 C ATOM 1612 C ARG A 95 -7.500 9.786 -8.626 1.00 24.43 C ATOM 1613 O ARG A 95 -7.324 10.991 -8.416 1.00 4.34 O ATOM 1614 CB ARG A 95 -7.632 9.144 -11.122 1.00 14.14 C ATOM 1615 CG ARG A 95 -6.767 9.061 -12.407 1.00 1.44 C ATOM 1616 CD ARG A 95 -7.548 8.589 -13.641 1.00 43.33 C ATOM 1617 NE ARG A 95 -8.761 9.384 -13.896 1.00 2.43 N ATOM 1618 CZ ARG A 95 -9.730 9.052 -14.766 1.00 73.21 C ATOM 1619 NH1 ARG A 95 -9.652 7.943 -15.492 1.00 54.44 N ATOM 1620 NH2 ARG A 95 -10.789 9.836 -14.891 1.00 45.22 N ATOM 0 H ARG A 95 -6.947 7.014 -10.023 1.00 0.24 H new ATOM 0 HA ARG A 95 -5.884 9.677 -9.987 1.00 44.22 H new ATOM 0 HB2 ARG A 95 -8.343 8.318 -11.117 1.00 14.14 H new ATOM 0 HB3 ARG A 95 -8.214 10.066 -11.143 1.00 14.14 H new ATOM 0 HG2 ARG A 95 -6.339 10.042 -12.611 1.00 1.44 H new ATOM 0 HG3 ARG A 95 -5.934 8.380 -12.232 1.00 1.44 H new ATOM 0 HD2 ARG A 95 -6.899 8.638 -14.515 1.00 43.33 H new ATOM 0 HD3 ARG A 95 -7.827 7.544 -13.509 1.00 43.33 H new ATOM 0 HE ARG A 95 -8.874 10.252 -13.373 1.00 2.43 H new ATOM 0 HH11 ARG A 95 -8.846 7.325 -15.395 1.00 54.44 H new ATOM 0 HH12 ARG A 95 -10.398 7.709 -16.147 1.00 54.44 H new ATOM 0 HH21 ARG A 95 -10.865 10.684 -14.330 1.00 45.22 H new ATOM 0 HH22 ARG A 95 -11.529 9.592 -15.549 1.00 45.22 H new ATOM 1634 N LYS A 96 -8.266 9.007 -7.829 1.00 14.01 N ATOM 1635 CA LYS A 96 -8.865 9.516 -6.569 1.00 64.21 C ATOM 1636 C LYS A 96 -7.772 9.703 -5.497 1.00 41.25 C ATOM 1637 O LYS A 96 -7.750 10.703 -4.772 1.00 13.01 O ATOM 1638 CB LYS A 96 -9.973 8.571 -5.993 1.00 53.11 C ATOM 1639 CG LYS A 96 -11.279 8.461 -6.822 1.00 21.42 C ATOM 1640 CD LYS A 96 -11.174 7.493 -8.020 1.00 62.24 C ATOM 1641 CE LYS A 96 -12.499 7.327 -8.786 1.00 5.14 C ATOM 1642 NZ LYS A 96 -12.373 6.350 -9.898 1.00 22.32 N ATOM 0 H LYS A 96 -8.484 8.031 -8.031 1.00 14.01 H new ATOM 0 HA LYS A 96 -9.332 10.469 -6.817 1.00 64.21 H new ATOM 0 HB2 LYS A 96 -9.550 7.572 -5.887 1.00 53.11 H new ATOM 0 HB3 LYS A 96 -10.231 8.916 -4.992 1.00 53.11 H new ATOM 0 HG2 LYS A 96 -12.087 8.130 -6.169 1.00 21.42 H new ATOM 0 HG3 LYS A 96 -11.551 9.451 -7.189 1.00 21.42 H new ATOM 0 HD2 LYS A 96 -10.409 7.856 -8.706 1.00 62.24 H new ATOM 0 HD3 LYS A 96 -10.844 6.518 -7.662 1.00 62.24 H new ATOM 0 HE2 LYS A 96 -13.278 6.997 -8.098 1.00 5.14 H new ATOM 0 HE3 LYS A 96 -12.813 8.292 -9.184 1.00 5.14 H new ATOM 0 HZ1 LYS A 96 -13.076 6.568 -10.633 1.00 22.32 H new ATOM 0 HZ2 LYS A 96 -11.417 6.408 -10.304 1.00 22.32 H new ATOM 0 HZ3 LYS A 96 -12.538 5.389 -9.536 1.00 22.32 H new ATOM 1656 N ILE A 97 -6.857 8.725 -5.436 1.00 5.34 N ATOM 1657 CA ILE A 97 -5.872 8.586 -4.344 1.00 44.34 C ATOM 1658 C ILE A 97 -4.748 9.641 -4.469 1.00 44.33 C ATOM 1659 O ILE A 97 -4.349 10.269 -3.479 1.00 61.55 O ATOM 1660 CB ILE A 97 -5.278 7.124 -4.337 1.00 51.44 C ATOM 1661 CG1 ILE A 97 -6.419 6.041 -4.386 1.00 25.34 C ATOM 1662 CG2 ILE A 97 -4.343 6.896 -3.130 1.00 43.25 C ATOM 1663 CD1 ILE A 97 -7.535 6.206 -3.362 1.00 64.32 C ATOM 0 H ILE A 97 -6.776 7.999 -6.148 1.00 5.34 H new ATOM 0 HA ILE A 97 -6.380 8.761 -3.395 1.00 44.34 H new ATOM 0 HB ILE A 97 -4.678 7.014 -5.240 1.00 51.44 H new ATOM 0 HG12 ILE A 97 -6.861 6.052 -5.382 1.00 25.34 H new ATOM 0 HG13 ILE A 97 -5.968 5.059 -4.248 1.00 25.34 H new ATOM 0 HG21 ILE A 97 -3.953 5.878 -3.159 1.00 43.25 H new ATOM 0 HG22 ILE A 97 -3.515 7.603 -3.173 1.00 43.25 H new ATOM 0 HG23 ILE A 97 -4.900 7.045 -2.205 1.00 43.25 H new ATOM 0 HD11 ILE A 97 -8.265 5.406 -3.487 1.00 64.32 H new ATOM 0 HD12 ILE A 97 -7.116 6.161 -2.357 1.00 64.32 H new ATOM 0 HD13 ILE A 97 -8.024 7.169 -3.508 1.00 64.32 H new ATOM 1675 N GLU A 98 -4.279 9.834 -5.708 1.00 41.32 N ATOM 1676 CA GLU A 98 -3.214 10.799 -6.053 1.00 61.42 C ATOM 1677 C GLU A 98 -3.721 12.242 -5.888 1.00 64.11 C ATOM 1678 O GLU A 98 -2.956 13.145 -5.536 1.00 32.21 O ATOM 1679 CB GLU A 98 -2.735 10.539 -7.508 1.00 4.01 C ATOM 1680 CG GLU A 98 -1.539 11.384 -7.980 1.00 13.42 C ATOM 1681 CD GLU A 98 -1.064 11.016 -9.398 1.00 11.11 C ATOM 1682 OE1 GLU A 98 -1.724 11.415 -10.384 1.00 64.01 O ATOM 1683 OE2 GLU A 98 -0.037 10.319 -9.540 1.00 2.13 O ATOM 0 H GLU A 98 -4.631 9.319 -6.515 1.00 41.32 H new ATOM 0 HA GLU A 98 -2.371 10.665 -5.376 1.00 61.42 H new ATOM 0 HB2 GLU A 98 -2.471 9.486 -7.601 1.00 4.01 H new ATOM 0 HB3 GLU A 98 -3.572 10.718 -8.183 1.00 4.01 H new ATOM 0 HG2 GLU A 98 -1.815 12.438 -7.957 1.00 13.42 H new ATOM 0 HG3 GLU A 98 -0.712 11.256 -7.281 1.00 13.42 H new ATOM 1690 N SER A 99 -5.036 12.432 -6.117 1.00 44.33 N ATOM 1691 CA SER A 99 -5.715 13.724 -5.923 1.00 11.13 C ATOM 1692 C SER A 99 -5.674 14.153 -4.445 1.00 53.11 C ATOM 1693 O SER A 99 -5.552 15.340 -4.138 1.00 45.41 O ATOM 1694 CB SER A 99 -7.175 13.627 -6.424 1.00 61.34 C ATOM 1695 OG SER A 99 -7.877 14.839 -6.220 1.00 23.44 O ATOM 0 H SER A 99 -5.656 11.691 -6.442 1.00 44.33 H new ATOM 0 HA SER A 99 -5.191 14.484 -6.502 1.00 11.13 H new ATOM 0 HB2 SER A 99 -7.180 13.377 -7.485 1.00 61.34 H new ATOM 0 HB3 SER A 99 -7.686 12.818 -5.903 1.00 61.34 H new ATOM 0 HG SER A 99 -8.795 14.744 -6.549 1.00 23.44 H new ATOM 1701 N GLN A 100 -5.736 13.154 -3.542 1.00 25.02 N ATOM 1702 CA GLN A 100 -5.731 13.368 -2.080 1.00 34.11 C ATOM 1703 C GLN A 100 -4.300 13.602 -1.541 1.00 64.05 C ATOM 1704 O GLN A 100 -4.118 13.849 -0.345 1.00 54.22 O ATOM 1705 CB GLN A 100 -6.387 12.148 -1.381 1.00 25.12 C ATOM 1706 CG GLN A 100 -7.855 11.900 -1.773 1.00 51.32 C ATOM 1707 CD GLN A 100 -8.424 10.604 -1.186 1.00 63.40 C ATOM 1708 OE1 GLN A 100 -8.308 9.505 -1.920 1.00 10.42 O flip ATOM 1709 NE2 GLN A 100 -8.961 10.597 -0.087 1.00 32.53 N flip ATOM 0 H GLN A 100 -5.791 12.171 -3.807 1.00 25.02 H new ATOM 0 HA GLN A 100 -6.306 14.267 -1.860 1.00 34.11 H new ATOM 0 HB2 GLN A 100 -5.806 11.256 -1.615 1.00 25.12 H new ATOM 0 HB3 GLN A 100 -6.332 12.291 -0.302 1.00 25.12 H new ATOM 0 HG2 GLN A 100 -8.461 12.741 -1.437 1.00 51.32 H new ATOM 0 HG3 GLN A 100 -7.934 11.865 -2.860 1.00 51.32 H new ATOM 0 HE21 GLN A 100 -9.033 11.461 0.451 1.00 32.53 H new ATOM 0 HE22 GLN A 100 -9.337 9.728 0.292 1.00 32.53 H new ATOM 1718 N GLY A 101 -3.289 13.517 -2.428 1.00 23.42 N ATOM 1719 CA GLY A 101 -1.896 13.802 -2.062 1.00 21.45 C ATOM 1720 C GLY A 101 -1.133 12.584 -1.547 1.00 20.50 C ATOM 1721 O GLY A 101 -0.011 12.723 -1.032 1.00 61.42 O ATOM 0 H GLY A 101 -3.416 13.252 -3.405 1.00 23.42 H new ATOM 0 HA2 GLY A 101 -1.376 14.204 -2.932 1.00 21.45 H new ATOM 0 HA3 GLY A 101 -1.883 14.578 -1.297 1.00 21.45 H new ATOM 1725 N TYR A 102 -1.742 11.390 -1.674 1.00 73.41 N ATOM 1726 CA TYR A 102 -1.070 10.112 -1.372 1.00 43.02 C ATOM 1727 C TYR A 102 -0.100 9.763 -2.505 1.00 23.30 C ATOM 1728 O TYR A 102 -0.348 10.108 -3.675 1.00 24.04 O ATOM 1729 CB TYR A 102 -2.092 8.959 -1.200 1.00 62.23 C ATOM 1730 CG TYR A 102 -2.981 9.070 0.041 1.00 75.50 C ATOM 1731 CD1 TYR A 102 -2.495 8.701 1.295 1.00 54.04 C ATOM 1732 CD2 TYR A 102 -4.295 9.537 -0.040 1.00 40.24 C ATOM 1733 CE1 TYR A 102 -3.284 8.790 2.417 1.00 30.12 C ATOM 1734 CE2 TYR A 102 -5.090 9.627 1.083 1.00 61.22 C ATOM 1735 CZ TYR A 102 -4.580 9.254 2.308 1.00 61.25 C ATOM 1736 OH TYR A 102 -5.363 9.341 3.430 1.00 20.30 O ATOM 0 H TYR A 102 -2.707 11.284 -1.987 1.00 73.41 H new ATOM 0 HA TYR A 102 -0.528 10.230 -0.434 1.00 43.02 H new ATOM 0 HB2 TYR A 102 -2.729 8.922 -2.084 1.00 62.23 H new ATOM 0 HB3 TYR A 102 -1.550 8.015 -1.158 1.00 62.23 H new ATOM 0 HD1 TYR A 102 -1.482 8.339 1.386 1.00 54.04 H new ATOM 0 HD2 TYR A 102 -4.695 9.833 -0.999 1.00 40.24 H new ATOM 0 HE1 TYR A 102 -2.892 8.498 3.380 1.00 30.12 H new ATOM 0 HE2 TYR A 102 -6.105 9.987 1.003 1.00 61.22 H new ATOM 0 HH TYR A 102 -6.191 9.818 3.215 1.00 20.30 H new ATOM 1746 N GLU A 103 0.988 9.067 -2.156 1.00 51.43 N ATOM 1747 CA GLU A 103 1.988 8.635 -3.129 1.00 3.21 C ATOM 1748 C GLU A 103 1.562 7.288 -3.697 1.00 74.44 C ATOM 1749 O GLU A 103 1.763 6.265 -3.061 1.00 0.53 O ATOM 1750 CB GLU A 103 3.391 8.532 -2.470 1.00 21.13 C ATOM 1751 CG GLU A 103 4.522 8.179 -3.459 1.00 74.04 C ATOM 1752 CD GLU A 103 4.627 9.184 -4.621 1.00 40.24 C ATOM 1753 OE1 GLU A 103 5.135 10.303 -4.401 1.00 40.20 O ATOM 1754 OE2 GLU A 103 4.184 8.862 -5.754 1.00 0.32 O ATOM 0 H GLU A 103 1.196 8.791 -1.196 1.00 51.43 H new ATOM 0 HA GLU A 103 2.057 9.369 -3.932 1.00 3.21 H new ATOM 0 HB2 GLU A 103 3.626 9.481 -1.988 1.00 21.13 H new ATOM 0 HB3 GLU A 103 3.359 7.776 -1.686 1.00 21.13 H new ATOM 0 HG2 GLU A 103 5.471 8.147 -2.924 1.00 74.04 H new ATOM 0 HG3 GLU A 103 4.350 7.181 -3.861 1.00 74.04 H new ATOM 1761 N VAL A 104 0.972 7.293 -4.893 1.00 22.54 N ATOM 1762 CA VAL A 104 0.465 6.078 -5.536 1.00 55.54 C ATOM 1763 C VAL A 104 1.061 5.928 -6.937 1.00 72.32 C ATOM 1764 O VAL A 104 0.873 6.788 -7.807 1.00 22.14 O ATOM 1765 CB VAL A 104 -1.112 6.030 -5.572 1.00 31.32 C ATOM 1766 CG1 VAL A 104 -1.724 7.325 -6.145 1.00 3.11 C ATOM 1767 CG2 VAL A 104 -1.614 4.781 -6.345 1.00 31.22 C ATOM 0 H VAL A 104 0.832 8.140 -5.444 1.00 22.54 H new ATOM 0 HA VAL A 104 0.784 5.229 -4.931 1.00 55.54 H new ATOM 0 HB VAL A 104 -1.452 5.950 -4.540 1.00 31.32 H new ATOM 0 HG11 VAL A 104 -2.811 7.243 -6.149 1.00 3.11 H new ATOM 0 HG12 VAL A 104 -1.426 8.172 -5.527 1.00 3.11 H new ATOM 0 HG13 VAL A 104 -1.368 7.476 -7.164 1.00 3.11 H new ATOM 0 HG21 VAL A 104 -2.704 4.773 -6.354 1.00 31.22 H new ATOM 0 HG22 VAL A 104 -1.242 4.813 -7.369 1.00 31.22 H new ATOM 0 HG23 VAL A 104 -1.249 3.879 -5.855 1.00 31.22 H new ATOM 1777 N ARG A 105 1.820 4.840 -7.128 1.00 62.24 N ATOM 1778 CA ARG A 105 2.353 4.447 -8.431 1.00 54.15 C ATOM 1779 C ARG A 105 1.493 3.318 -9.004 1.00 32.53 C ATOM 1780 O ARG A 105 1.130 2.366 -8.291 1.00 75.41 O ATOM 1781 CB ARG A 105 3.829 4.004 -8.323 1.00 60.51 C ATOM 1782 CG ARG A 105 4.823 5.073 -7.789 1.00 61.12 C ATOM 1783 CD ARG A 105 4.889 6.358 -8.647 1.00 71.00 C ATOM 1784 NE ARG A 105 3.800 7.306 -8.334 1.00 35.32 N ATOM 1785 CZ ARG A 105 3.435 8.354 -9.085 1.00 4.24 C ATOM 1786 NH1 ARG A 105 4.053 8.624 -10.228 1.00 35.14 N ATOM 1787 NH2 ARG A 105 2.428 9.112 -8.691 1.00 40.33 N ATOM 0 H ARG A 105 2.081 4.205 -6.373 1.00 62.24 H new ATOM 0 HA ARG A 105 2.320 5.307 -9.099 1.00 54.15 H new ATOM 0 HB2 ARG A 105 3.879 3.132 -7.671 1.00 60.51 H new ATOM 0 HB3 ARG A 105 4.165 3.684 -9.309 1.00 60.51 H new ATOM 0 HG2 ARG A 105 4.538 5.342 -6.772 1.00 61.12 H new ATOM 0 HG3 ARG A 105 5.819 4.633 -7.735 1.00 61.12 H new ATOM 0 HD2 ARG A 105 5.849 6.848 -8.488 1.00 71.00 H new ATOM 0 HD3 ARG A 105 4.840 6.089 -9.702 1.00 71.00 H new ATOM 0 HE ARG A 105 3.280 7.149 -7.470 1.00 35.32 H new ATOM 0 HH11 ARG A 105 4.818 8.030 -10.547 1.00 35.14 H new ATOM 0 HH12 ARG A 105 3.763 9.426 -10.788 1.00 35.14 H new ATOM 0 HH21 ARG A 105 1.937 8.897 -7.823 1.00 40.33 H new ATOM 0 HH22 ARG A 105 2.141 9.912 -9.254 1.00 40.33 H new ATOM 1801 N LYS A 106 1.177 3.446 -10.287 1.00 75.20 N ATOM 1802 CA LYS A 106 0.314 2.528 -11.026 1.00 24.02 C ATOM 1803 C LYS A 106 1.161 1.804 -12.092 1.00 42.44 C ATOM 1804 O LYS A 106 1.745 2.441 -12.974 1.00 63.33 O ATOM 1805 CB LYS A 106 -0.871 3.363 -11.610 1.00 11.13 C ATOM 1806 CG LYS A 106 -1.793 2.659 -12.640 1.00 20.44 C ATOM 1807 CD LYS A 106 -1.309 2.862 -14.098 1.00 54.12 C ATOM 1808 CE LYS A 106 -2.224 2.218 -15.129 1.00 71.40 C ATOM 1809 NZ LYS A 106 -1.639 2.279 -16.490 1.00 64.21 N ATOM 0 H LYS A 106 1.524 4.215 -10.861 1.00 75.20 H new ATOM 0 HA LYS A 106 -0.116 1.748 -10.397 1.00 24.02 H new ATOM 0 HB2 LYS A 106 -1.489 3.700 -10.778 1.00 11.13 H new ATOM 0 HB3 LYS A 106 -0.457 4.254 -12.081 1.00 11.13 H new ATOM 0 HG2 LYS A 106 -1.834 1.593 -12.418 1.00 20.44 H new ATOM 0 HG3 LYS A 106 -2.808 3.045 -12.539 1.00 20.44 H new ATOM 0 HD2 LYS A 106 -1.235 3.930 -14.304 1.00 54.12 H new ATOM 0 HD3 LYS A 106 -0.306 2.447 -14.202 1.00 54.12 H new ATOM 0 HE2 LYS A 106 -2.406 1.178 -14.856 1.00 71.40 H new ATOM 0 HE3 LYS A 106 -3.190 2.722 -15.125 1.00 71.40 H new ATOM 0 HZ1 LYS A 106 -2.358 2.005 -17.190 1.00 64.21 H new ATOM 0 HZ2 LYS A 106 -1.317 3.248 -16.686 1.00 64.21 H new ATOM 0 HZ3 LYS A 106 -0.831 1.627 -16.550 1.00 64.21 H new ATOM 1823 N VAL A 107 1.253 0.469 -11.964 1.00 12.01 N ATOM 1824 CA VAL A 107 2.045 -0.416 -12.851 1.00 35.32 C ATOM 1825 C VAL A 107 1.221 -1.680 -13.189 1.00 24.14 C ATOM 1826 O VAL A 107 0.044 -1.772 -12.829 1.00 51.40 O ATOM 1827 CB VAL A 107 3.431 -0.826 -12.193 1.00 4.14 C ATOM 1828 CG1 VAL A 107 4.283 0.412 -11.832 1.00 41.20 C ATOM 1829 CG2 VAL A 107 3.234 -1.728 -10.954 1.00 62.02 C ATOM 0 H VAL A 107 0.769 -0.041 -11.225 1.00 12.01 H new ATOM 0 HA VAL A 107 2.269 0.135 -13.765 1.00 35.32 H new ATOM 0 HB VAL A 107 3.974 -1.401 -12.944 1.00 4.14 H new ATOM 0 HG11 VAL A 107 5.223 0.089 -11.384 1.00 41.20 H new ATOM 0 HG12 VAL A 107 4.490 0.987 -12.735 1.00 41.20 H new ATOM 0 HG13 VAL A 107 3.738 1.034 -11.122 1.00 41.20 H new ATOM 0 HG21 VAL A 107 4.206 -1.986 -10.534 1.00 62.02 H new ATOM 0 HG22 VAL A 107 2.645 -1.196 -10.207 1.00 62.02 H new ATOM 0 HG23 VAL A 107 2.712 -2.639 -11.246 1.00 62.02 H new ATOM 1839 N THR A 108 1.841 -2.649 -13.889 1.00 11.32 N ATOM 1840 CA THR A 108 1.190 -3.912 -14.277 1.00 45.52 C ATOM 1841 C THR A 108 1.964 -5.128 -13.744 1.00 52.42 C ATOM 1842 O THR A 108 1.456 -5.888 -12.911 1.00 21.15 O ATOM 1843 CB THR A 108 1.052 -4.012 -15.836 1.00 55.21 C ATOM 1844 OG1 THR A 108 2.320 -3.732 -16.467 1.00 10.12 O ATOM 1845 CG2 THR A 108 -0.004 -3.045 -16.376 1.00 11.12 C ATOM 0 H THR A 108 2.809 -2.577 -14.201 1.00 11.32 H new ATOM 0 HA THR A 108 0.195 -3.915 -13.832 1.00 45.52 H new ATOM 0 HB THR A 108 0.736 -5.029 -16.069 1.00 55.21 H new ATOM 0 HG1 THR A 108 2.758 -4.575 -16.710 1.00 10.12 H new ATOM 0 HG21 THR A 108 -0.069 -3.145 -17.459 1.00 11.12 H new ATOM 0 HG22 THR A 108 -0.972 -3.278 -15.931 1.00 11.12 H new ATOM 0 HG23 THR A 108 0.275 -2.022 -16.122 1.00 11.12 H new ATOM 1853 N ASP A 109 3.205 -5.287 -14.227 1.00 34.04 N ATOM 1854 CA ASP A 109 3.987 -6.524 -14.044 1.00 50.31 C ATOM 1855 C ASP A 109 4.765 -6.562 -12.719 1.00 51.31 C ATOM 1856 O ASP A 109 4.871 -5.565 -11.990 1.00 73.41 O ATOM 1857 CB ASP A 109 4.936 -6.736 -15.249 1.00 51.42 C ATOM 1858 CG ASP A 109 4.174 -6.914 -16.580 1.00 3.23 C ATOM 1859 OD1 ASP A 109 3.455 -7.931 -16.733 1.00 63.20 O ATOM 1860 OD2 ASP A 109 4.263 -6.029 -17.461 1.00 23.02 O ATOM 0 H ASP A 109 3.696 -4.565 -14.755 1.00 34.04 H new ATOM 0 HA ASP A 109 3.272 -7.346 -13.995 1.00 50.31 H new ATOM 0 HB2 ASP A 109 5.609 -5.883 -15.331 1.00 51.42 H new ATOM 0 HB3 ASP A 109 5.556 -7.615 -15.069 1.00 51.42 H new ATOM 1865 N ASP A 110 5.327 -7.747 -12.450 1.00 51.52 N ATOM 1866 CA ASP A 110 5.923 -8.113 -11.163 1.00 35.02 C ATOM 1867 C ASP A 110 7.274 -7.426 -10.963 1.00 12.54 C ATOM 1868 O ASP A 110 7.495 -6.772 -9.941 1.00 25.04 O ATOM 1869 CB ASP A 110 6.092 -9.655 -11.089 1.00 52.30 C ATOM 1870 CG ASP A 110 4.823 -10.422 -11.498 1.00 21.35 C ATOM 1871 OD1 ASP A 110 4.625 -10.649 -12.714 1.00 63.14 O ATOM 1872 OD2 ASP A 110 4.011 -10.767 -10.625 1.00 54.15 O ATOM 0 H ASP A 110 5.380 -8.496 -13.141 1.00 51.52 H new ATOM 0 HA ASP A 110 5.257 -7.779 -10.367 1.00 35.02 H new ATOM 0 HB2 ASP A 110 6.915 -9.956 -11.737 1.00 52.30 H new ATOM 0 HB3 ASP A 110 6.367 -9.936 -10.072 1.00 52.30 H new ATOM 1877 N GLU A 111 8.157 -7.568 -11.975 1.00 52.15 N ATOM 1878 CA GLU A 111 9.524 -7.002 -11.961 1.00 11.51 C ATOM 1879 C GLU A 111 9.505 -5.477 -11.711 1.00 42.31 C ATOM 1880 O GLU A 111 10.367 -4.938 -11.002 1.00 3.51 O ATOM 1881 CB GLU A 111 10.249 -7.330 -13.300 1.00 51.05 C ATOM 1882 CG GLU A 111 9.523 -6.828 -14.576 1.00 2.44 C ATOM 1883 CD GLU A 111 10.290 -7.135 -15.877 1.00 42.24 C ATOM 1884 OE1 GLU A 111 11.164 -6.329 -16.274 1.00 13.30 O ATOM 1885 OE2 GLU A 111 10.027 -8.185 -16.506 1.00 3.21 O ATOM 0 H GLU A 111 7.941 -8.081 -12.829 1.00 52.15 H new ATOM 0 HA GLU A 111 10.072 -7.460 -11.138 1.00 11.51 H new ATOM 0 HB2 GLU A 111 11.247 -6.893 -13.272 1.00 51.05 H new ATOM 0 HB3 GLU A 111 10.375 -8.410 -13.373 1.00 51.05 H new ATOM 0 HG2 GLU A 111 8.536 -7.287 -14.628 1.00 2.44 H new ATOM 0 HG3 GLU A 111 9.370 -5.752 -14.498 1.00 2.44 H new ATOM 1892 N GLU A 112 8.491 -4.806 -12.279 1.00 61.44 N ATOM 1893 CA GLU A 112 8.307 -3.357 -12.153 1.00 21.13 C ATOM 1894 C GLU A 112 7.770 -3.017 -10.757 1.00 73.11 C ATOM 1895 O GLU A 112 8.234 -2.078 -10.137 1.00 42.23 O ATOM 1896 CB GLU A 112 7.343 -2.854 -13.257 1.00 33.52 C ATOM 1897 CG GLU A 112 7.170 -1.321 -13.334 1.00 42.44 C ATOM 1898 CD GLU A 112 8.425 -0.571 -13.796 1.00 11.41 C ATOM 1899 OE1 GLU A 112 9.009 -0.943 -14.838 1.00 32.32 O ATOM 1900 OE2 GLU A 112 8.813 0.417 -13.145 1.00 74.41 O ATOM 0 H GLU A 112 7.772 -5.260 -12.842 1.00 61.44 H new ATOM 0 HA GLU A 112 9.267 -2.856 -12.280 1.00 21.13 H new ATOM 0 HB2 GLU A 112 7.704 -3.211 -14.222 1.00 33.52 H new ATOM 0 HB3 GLU A 112 6.364 -3.306 -13.095 1.00 33.52 H new ATOM 0 HG2 GLU A 112 6.352 -1.092 -14.017 1.00 42.44 H new ATOM 0 HG3 GLU A 112 6.879 -0.949 -12.352 1.00 42.44 H new ATOM 1907 N ALA A 113 6.820 -3.818 -10.257 1.00 12.44 N ATOM 1908 CA ALA A 113 6.217 -3.605 -8.928 1.00 10.22 C ATOM 1909 C ALA A 113 7.287 -3.644 -7.814 1.00 53.34 C ATOM 1910 O ALA A 113 7.261 -2.827 -6.894 1.00 73.14 O ATOM 1911 CB ALA A 113 5.124 -4.645 -8.672 1.00 63.32 C ATOM 0 H ALA A 113 6.448 -4.627 -10.755 1.00 12.44 H new ATOM 0 HA ALA A 113 5.765 -2.613 -8.913 1.00 10.22 H new ATOM 0 HB1 ALA A 113 4.686 -4.478 -7.688 1.00 63.32 H new ATOM 0 HB2 ALA A 113 4.350 -4.554 -9.434 1.00 63.32 H new ATOM 0 HB3 ALA A 113 5.557 -5.645 -8.712 1.00 63.32 H new ATOM 1917 N LEU A 114 8.249 -4.575 -7.960 1.00 12.44 N ATOM 1918 CA LEU A 114 9.366 -4.767 -7.010 1.00 33.10 C ATOM 1919 C LEU A 114 10.216 -3.492 -6.870 1.00 45.42 C ATOM 1920 O LEU A 114 10.443 -3.013 -5.754 1.00 15.43 O ATOM 1921 CB LEU A 114 10.257 -5.944 -7.484 1.00 42.33 C ATOM 1922 CG LEU A 114 9.556 -7.332 -7.550 1.00 12.32 C ATOM 1923 CD1 LEU A 114 10.433 -8.360 -8.282 1.00 1.41 C ATOM 1924 CD2 LEU A 114 9.158 -7.825 -6.142 1.00 63.22 C ATOM 0 H LEU A 114 8.274 -5.222 -8.748 1.00 12.44 H new ATOM 0 HA LEU A 114 8.942 -4.994 -6.032 1.00 33.10 H new ATOM 0 HB2 LEU A 114 10.647 -5.706 -8.474 1.00 42.33 H new ATOM 0 HB3 LEU A 114 11.114 -6.021 -6.814 1.00 42.33 H new ATOM 0 HG LEU A 114 8.637 -7.216 -8.125 1.00 12.32 H new ATOM 0 HD11 LEU A 114 9.919 -9.320 -8.313 1.00 1.41 H new ATOM 0 HD12 LEU A 114 10.624 -8.017 -9.299 1.00 1.41 H new ATOM 0 HD13 LEU A 114 11.380 -8.473 -7.754 1.00 1.41 H new ATOM 0 HD21 LEU A 114 8.671 -8.797 -6.221 1.00 63.22 H new ATOM 0 HD22 LEU A 114 10.050 -7.916 -5.523 1.00 63.22 H new ATOM 0 HD23 LEU A 114 8.472 -7.111 -5.687 1.00 63.22 H new ATOM 1936 N LYS A 115 10.658 -2.940 -8.020 1.00 31.51 N ATOM 1937 CA LYS A 115 11.544 -1.757 -8.047 1.00 44.21 C ATOM 1938 C LYS A 115 10.818 -0.510 -7.514 1.00 54.22 C ATOM 1939 O LYS A 115 11.445 0.335 -6.876 1.00 13.32 O ATOM 1940 CB LYS A 115 12.118 -1.502 -9.472 1.00 32.44 C ATOM 1941 CG LYS A 115 11.065 -1.350 -10.580 1.00 13.42 C ATOM 1942 CD LYS A 115 11.649 -0.983 -11.959 1.00 25.43 C ATOM 1943 CE LYS A 115 12.134 0.472 -12.028 1.00 0.21 C ATOM 1944 NZ LYS A 115 11.072 1.430 -11.619 1.00 73.31 N ATOM 0 H LYS A 115 10.415 -3.296 -8.944 1.00 31.51 H new ATOM 0 HA LYS A 115 12.386 -1.966 -7.387 1.00 44.21 H new ATOM 0 HB2 LYS A 115 12.728 -0.599 -9.445 1.00 32.44 H new ATOM 0 HB3 LYS A 115 12.781 -2.327 -9.733 1.00 32.44 H new ATOM 0 HG2 LYS A 115 10.510 -2.284 -10.669 1.00 13.42 H new ATOM 0 HG3 LYS A 115 10.350 -0.582 -10.284 1.00 13.42 H new ATOM 0 HD2 LYS A 115 12.480 -1.650 -12.186 1.00 25.43 H new ATOM 0 HD3 LYS A 115 10.891 -1.146 -12.725 1.00 25.43 H new ATOM 0 HE2 LYS A 115 13.003 0.596 -11.382 1.00 0.21 H new ATOM 0 HE3 LYS A 115 12.457 0.699 -13.044 1.00 0.21 H new ATOM 0 HZ1 LYS A 115 11.223 2.341 -12.097 1.00 73.31 H new ATOM 0 HZ2 LYS A 115 10.141 1.050 -11.884 1.00 73.31 H new ATOM 0 HZ3 LYS A 115 11.108 1.570 -10.589 1.00 73.31 H new ATOM 1958 N ILE A 116 9.488 -0.432 -7.756 1.00 2.12 N ATOM 1959 CA ILE A 116 8.642 0.680 -7.272 1.00 13.43 C ATOM 1960 C ILE A 116 8.596 0.693 -5.733 1.00 0.51 C ATOM 1961 O ILE A 116 8.662 1.764 -5.116 1.00 22.12 O ATOM 1962 CB ILE A 116 7.177 0.596 -7.846 1.00 75.54 C ATOM 1963 CG1 ILE A 116 7.159 0.660 -9.408 1.00 54.21 C ATOM 1964 CG2 ILE A 116 6.287 1.703 -7.248 1.00 14.45 C ATOM 1965 CD1 ILE A 116 7.704 1.935 -10.019 1.00 54.30 C ATOM 0 H ILE A 116 8.976 -1.135 -8.289 1.00 2.12 H new ATOM 0 HA ILE A 116 9.092 1.606 -7.630 1.00 13.43 H new ATOM 0 HB ILE A 116 6.771 -0.372 -7.552 1.00 75.54 H new ATOM 0 HG12 ILE A 116 7.734 -0.181 -9.795 1.00 54.21 H new ATOM 0 HG13 ILE A 116 6.132 0.526 -9.747 1.00 54.21 H new ATOM 0 HG21 ILE A 116 5.281 1.623 -7.660 1.00 14.45 H new ATOM 0 HG22 ILE A 116 6.245 1.591 -6.165 1.00 14.45 H new ATOM 0 HG23 ILE A 116 6.704 2.679 -7.496 1.00 14.45 H new ATOM 0 HD11 ILE A 116 7.644 1.872 -11.106 1.00 54.30 H new ATOM 0 HD12 ILE A 116 7.117 2.785 -9.672 1.00 54.30 H new ATOM 0 HD13 ILE A 116 8.744 2.066 -9.720 1.00 54.30 H new ATOM 1977 N VAL A 117 8.472 -0.515 -5.134 1.00 64.52 N ATOM 1978 CA VAL A 117 8.526 -0.698 -3.672 1.00 30.10 C ATOM 1979 C VAL A 117 9.841 -0.135 -3.127 1.00 53.42 C ATOM 1980 O VAL A 117 9.834 0.705 -2.232 1.00 12.14 O ATOM 1981 CB VAL A 117 8.384 -2.209 -3.247 1.00 13.42 C ATOM 1982 CG1 VAL A 117 8.581 -2.394 -1.719 1.00 33.22 C ATOM 1983 CG2 VAL A 117 7.024 -2.783 -3.700 1.00 64.45 C ATOM 0 H VAL A 117 8.333 -1.383 -5.651 1.00 64.52 H new ATOM 0 HA VAL A 117 7.679 -0.158 -3.249 1.00 30.10 H new ATOM 0 HB VAL A 117 9.175 -2.766 -3.749 1.00 13.42 H new ATOM 0 HG11 VAL A 117 8.476 -3.448 -1.464 1.00 33.22 H new ATOM 0 HG12 VAL A 117 9.576 -2.049 -1.436 1.00 33.22 H new ATOM 0 HG13 VAL A 117 7.830 -1.814 -1.182 1.00 33.22 H new ATOM 0 HG21 VAL A 117 6.950 -3.827 -3.395 1.00 64.45 H new ATOM 0 HG22 VAL A 117 6.217 -2.213 -3.240 1.00 64.45 H new ATOM 0 HG23 VAL A 117 6.944 -2.715 -4.785 1.00 64.45 H new ATOM 1993 N ARG A 118 10.952 -0.561 -3.749 1.00 54.23 N ATOM 1994 CA ARG A 118 12.316 -0.182 -3.324 1.00 24.51 C ATOM 1995 C ARG A 118 12.545 1.339 -3.471 1.00 42.43 C ATOM 1996 O ARG A 118 13.360 1.924 -2.748 1.00 10.54 O ATOM 1997 CB ARG A 118 13.363 -0.994 -4.128 1.00 63.14 C ATOM 1998 CG ARG A 118 13.172 -2.522 -4.027 1.00 61.51 C ATOM 1999 CD ARG A 118 14.253 -3.317 -4.774 1.00 0.05 C ATOM 2000 NE ARG A 118 15.579 -3.172 -4.141 1.00 54.24 N ATOM 2001 CZ ARG A 118 16.181 -4.107 -3.379 1.00 2.41 C ATOM 2002 NH1 ARG A 118 15.598 -5.276 -3.135 1.00 31.11 N ATOM 2003 NH2 ARG A 118 17.371 -3.856 -2.865 1.00 65.04 N ATOM 0 H ARG A 118 10.934 -1.178 -4.561 1.00 54.23 H new ATOM 0 HA ARG A 118 12.432 -0.421 -2.267 1.00 24.51 H new ATOM 0 HB2 ARG A 118 13.312 -0.699 -5.176 1.00 63.14 H new ATOM 0 HB3 ARG A 118 14.361 -0.737 -3.772 1.00 63.14 H new ATOM 0 HG2 ARG A 118 13.176 -2.814 -2.977 1.00 61.51 H new ATOM 0 HG3 ARG A 118 12.193 -2.787 -4.427 1.00 61.51 H new ATOM 0 HD2 ARG A 118 13.976 -4.371 -4.799 1.00 0.05 H new ATOM 0 HD3 ARG A 118 14.305 -2.976 -5.808 1.00 0.05 H new ATOM 0 HE ARG A 118 16.079 -2.296 -4.292 1.00 54.24 H new ATOM 0 HH11 ARG A 118 14.678 -5.479 -3.527 1.00 31.11 H new ATOM 0 HH12 ARG A 118 16.070 -5.970 -2.556 1.00 31.11 H new ATOM 0 HH21 ARG A 118 17.826 -2.961 -3.046 1.00 65.04 H new ATOM 0 HH22 ARG A 118 17.835 -4.557 -2.287 1.00 65.04 H new ATOM 2017 N GLU A 119 11.805 1.966 -4.408 1.00 52.12 N ATOM 2018 CA GLU A 119 11.802 3.427 -4.595 1.00 42.14 C ATOM 2019 C GLU A 119 10.983 4.138 -3.490 1.00 31.30 C ATOM 2020 O GLU A 119 11.338 5.248 -3.092 1.00 33.34 O ATOM 2021 CB GLU A 119 11.253 3.787 -6.003 1.00 73.04 C ATOM 2022 CG GLU A 119 12.159 3.367 -7.175 1.00 2.12 C ATOM 2023 CD GLU A 119 11.537 3.646 -8.557 1.00 42.54 C ATOM 2024 OE1 GLU A 119 11.661 4.787 -9.060 1.00 62.44 O ATOM 2025 OE2 GLU A 119 10.912 2.733 -9.145 1.00 71.22 O ATOM 0 H GLU A 119 11.193 1.471 -5.056 1.00 52.12 H new ATOM 0 HA GLU A 119 12.831 3.779 -4.518 1.00 42.14 H new ATOM 0 HB2 GLU A 119 10.278 3.316 -6.129 1.00 73.04 H new ATOM 0 HB3 GLU A 119 11.095 4.864 -6.052 1.00 73.04 H new ATOM 0 HG2 GLU A 119 13.109 3.896 -7.098 1.00 2.12 H new ATOM 0 HG3 GLU A 119 12.379 2.303 -7.092 1.00 2.12 H new ATOM 2032 N PHE A 120 9.881 3.506 -3.026 1.00 21.21 N ATOM 2033 CA PHE A 120 9.025 4.055 -1.939 1.00 74.32 C ATOM 2034 C PHE A 120 9.830 4.377 -0.673 1.00 25.41 C ATOM 2035 O PHE A 120 9.715 5.485 -0.145 1.00 74.41 O ATOM 2036 CB PHE A 120 7.860 3.093 -1.581 1.00 43.41 C ATOM 2037 CG PHE A 120 6.721 3.004 -2.594 1.00 41.41 C ATOM 2038 CD1 PHE A 120 6.336 4.111 -3.353 1.00 60.50 C ATOM 2039 CD2 PHE A 120 6.000 1.824 -2.745 1.00 24.45 C ATOM 2040 CE1 PHE A 120 5.276 4.039 -4.227 1.00 22.32 C ATOM 2041 CE2 PHE A 120 4.938 1.754 -3.609 1.00 32.24 C ATOM 2042 CZ PHE A 120 4.574 2.859 -4.356 1.00 63.30 C ATOM 0 H PHE A 120 9.558 2.609 -3.388 1.00 21.21 H new ATOM 0 HA PHE A 120 8.608 4.984 -2.327 1.00 74.32 H new ATOM 0 HB2 PHE A 120 8.272 2.094 -1.441 1.00 43.41 H new ATOM 0 HB3 PHE A 120 7.442 3.403 -0.623 1.00 43.41 H new ATOM 0 HD1 PHE A 120 6.879 5.039 -3.252 1.00 60.50 H new ATOM 0 HD2 PHE A 120 6.281 0.951 -2.174 1.00 24.45 H new ATOM 0 HE1 PHE A 120 4.995 4.903 -4.810 1.00 22.32 H new ATOM 0 HE2 PHE A 120 4.384 0.832 -3.707 1.00 32.24 H new ATOM 0 HZ PHE A 120 3.740 2.798 -5.040 1.00 63.30 H new ATOM 2052 N MET A 121 10.651 3.410 -0.207 1.00 52.00 N ATOM 2053 CA MET A 121 11.496 3.609 0.994 1.00 1.44 C ATOM 2054 C MET A 121 12.602 4.663 0.752 1.00 61.21 C ATOM 2055 O MET A 121 13.113 5.245 1.712 1.00 23.12 O ATOM 2056 CB MET A 121 12.078 2.280 1.582 1.00 70.32 C ATOM 2057 CG MET A 121 12.661 1.265 0.581 1.00 31.41 C ATOM 2058 SD MET A 121 11.405 0.179 -0.121 1.00 61.45 S ATOM 2059 CE MET A 121 10.741 -0.654 1.318 1.00 21.30 C ATOM 0 H MET A 121 10.747 2.491 -0.639 1.00 52.00 H new ATOM 0 HA MET A 121 10.827 4.000 1.760 1.00 1.44 H new ATOM 0 HB2 MET A 121 12.861 2.540 2.295 1.00 70.32 H new ATOM 0 HB3 MET A 121 11.287 1.784 2.144 1.00 70.32 H new ATOM 0 HG2 MET A 121 13.162 1.802 -0.224 1.00 31.41 H new ATOM 0 HG3 MET A 121 13.418 0.662 1.081 1.00 31.41 H new ATOM 0 HE1 MET A 121 10.810 -1.733 1.178 1.00 21.30 H new ATOM 0 HE2 MET A 121 11.311 -0.365 2.201 1.00 21.30 H new ATOM 0 HE3 MET A 121 9.697 -0.372 1.452 1.00 21.30 H new ATOM 2069 N GLN A 122 12.960 4.935 -0.523 1.00 42.13 N ATOM 2070 CA GLN A 122 13.900 6.025 -0.859 1.00 5.11 C ATOM 2071 C GLN A 122 13.270 7.402 -0.537 1.00 44.01 C ATOM 2072 O GLN A 122 13.926 8.260 0.068 1.00 65.13 O ATOM 2073 CB GLN A 122 14.363 5.939 -2.339 1.00 53.24 C ATOM 2074 CG GLN A 122 15.234 4.704 -2.650 1.00 72.34 C ATOM 2075 CD GLN A 122 15.717 4.652 -4.101 1.00 33.23 C ATOM 2076 OE1 GLN A 122 15.069 4.065 -4.963 1.00 25.43 O ATOM 2077 NE2 GLN A 122 16.846 5.288 -4.386 1.00 2.03 N ATOM 0 H GLN A 122 12.614 4.417 -1.331 1.00 42.13 H new ATOM 0 HA GLN A 122 14.790 5.910 -0.240 1.00 5.11 H new ATOM 0 HB2 GLN A 122 13.485 5.924 -2.984 1.00 53.24 H new ATOM 0 HB3 GLN A 122 14.925 6.840 -2.587 1.00 53.24 H new ATOM 0 HG2 GLN A 122 16.099 4.702 -1.987 1.00 72.34 H new ATOM 0 HG3 GLN A 122 14.663 3.801 -2.432 1.00 72.34 H new ATOM 0 HE21 GLN A 122 17.362 5.767 -3.648 1.00 2.03 H new ATOM 0 HE22 GLN A 122 17.198 5.298 -5.343 1.00 2.03 H new ATOM 2086 N LYS A 123 11.980 7.592 -0.912 1.00 34.31 N ATOM 2087 CA LYS A 123 11.219 8.826 -0.567 1.00 62.22 C ATOM 2088 C LYS A 123 10.867 8.844 0.937 1.00 23.32 C ATOM 2089 O LYS A 123 10.808 9.911 1.559 1.00 11.22 O ATOM 2090 CB LYS A 123 9.911 8.995 -1.405 1.00 24.14 C ATOM 2091 CG LYS A 123 10.110 9.363 -2.898 1.00 4.21 C ATOM 2092 CD LYS A 123 10.570 8.178 -3.777 1.00 75.22 C ATOM 2093 CE LYS A 123 10.682 8.540 -5.267 1.00 74.03 C ATOM 2094 NZ LYS A 123 11.014 7.354 -6.097 1.00 44.12 N ATOM 0 H LYS A 123 11.444 6.912 -1.451 1.00 34.31 H new ATOM 0 HA LYS A 123 11.874 9.663 -0.810 1.00 62.22 H new ATOM 0 HB2 LYS A 123 9.345 8.065 -1.352 1.00 24.14 H new ATOM 0 HB3 LYS A 123 9.300 9.767 -0.938 1.00 24.14 H new ATOM 0 HG2 LYS A 123 9.173 9.755 -3.294 1.00 4.21 H new ATOM 0 HG3 LYS A 123 10.846 10.164 -2.970 1.00 4.21 H new ATOM 0 HD2 LYS A 123 11.538 7.824 -3.422 1.00 75.22 H new ATOM 0 HD3 LYS A 123 9.867 7.353 -3.661 1.00 75.22 H new ATOM 0 HE2 LYS A 123 9.741 8.971 -5.608 1.00 74.03 H new ATOM 0 HE3 LYS A 123 11.449 9.303 -5.399 1.00 74.03 H new ATOM 0 HZ1 LYS A 123 11.297 7.664 -7.049 1.00 44.12 H new ATOM 0 HZ2 LYS A 123 11.797 6.830 -5.657 1.00 44.12 H new ATOM 0 HZ3 LYS A 123 10.181 6.736 -6.168 1.00 44.12 H new ATOM 2108 N ALA A 124 10.655 7.644 1.509 1.00 62.32 N ATOM 2109 CA ALA A 124 10.318 7.467 2.936 1.00 11.13 C ATOM 2110 C ALA A 124 11.539 7.742 3.836 1.00 61.43 C ATOM 2111 O ALA A 124 11.397 7.854 5.056 1.00 22.34 O ATOM 2112 CB ALA A 124 9.760 6.058 3.196 1.00 5.43 C ATOM 0 H ALA A 124 10.713 6.766 0.993 1.00 62.32 H new ATOM 0 HA ALA A 124 9.545 8.194 3.187 1.00 11.13 H new ATOM 0 HB1 ALA A 124 9.519 5.952 4.254 1.00 5.43 H new ATOM 0 HB2 ALA A 124 8.859 5.908 2.602 1.00 5.43 H new ATOM 0 HB3 ALA A 124 10.506 5.314 2.917 1.00 5.43 H new ATOM 2118 N GLY A 125 12.739 7.838 3.218 1.00 34.21 N ATOM 2119 CA GLY A 125 13.953 8.266 3.914 1.00 41.41 C ATOM 2120 C GLY A 125 13.838 9.691 4.444 1.00 72.04 C ATOM 2121 O GLY A 125 14.301 9.993 5.551 1.00 44.20 O ATOM 0 H GLY A 125 12.882 7.621 2.232 1.00 34.21 H new ATOM 0 HA2 GLY A 125 14.154 7.587 4.742 1.00 41.41 H new ATOM 0 HA3 GLY A 125 14.803 8.200 3.234 1.00 41.41 H new ATOM 2125 N SER A 126 13.190 10.561 3.642 1.00 40.15 N ATOM 2126 CA SER A 126 12.871 11.947 4.028 1.00 23.42 C ATOM 2127 C SER A 126 11.936 11.994 5.248 1.00 24.05 C ATOM 2128 O SER A 126 12.011 12.914 6.053 1.00 4.10 O ATOM 2129 CB SER A 126 12.220 12.686 2.834 1.00 74.51 C ATOM 2130 OG SER A 126 13.110 12.752 1.737 1.00 64.52 O ATOM 0 H SER A 126 12.873 10.318 2.704 1.00 40.15 H new ATOM 0 HA SER A 126 13.802 12.443 4.303 1.00 23.42 H new ATOM 0 HB2 SER A 126 11.307 12.171 2.536 1.00 74.51 H new ATOM 0 HB3 SER A 126 11.934 13.693 3.137 1.00 74.51 H new ATOM 0 HG SER A 126 12.678 13.221 0.993 1.00 64.52 H new ATOM 2136 N LEU A 127 11.079 10.973 5.379 1.00 73.40 N ATOM 2137 CA LEU A 127 10.056 10.901 6.436 1.00 61.32 C ATOM 2138 C LEU A 127 10.666 10.371 7.744 1.00 71.44 C ATOM 2139 O LEU A 127 10.266 10.796 8.835 1.00 55.42 O ATOM 2140 CB LEU A 127 8.902 9.993 5.969 1.00 25.12 C ATOM 2141 CG LEU A 127 8.266 10.363 4.596 1.00 23.15 C ATOM 2142 CD1 LEU A 127 7.212 9.333 4.183 1.00 73.02 C ATOM 2143 CD2 LEU A 127 7.676 11.787 4.612 1.00 72.41 C ATOM 0 H LEU A 127 11.074 10.168 4.752 1.00 73.40 H new ATOM 0 HA LEU A 127 9.669 11.902 6.628 1.00 61.32 H new ATOM 0 HB2 LEU A 127 9.269 8.968 5.914 1.00 25.12 H new ATOM 0 HB3 LEU A 127 8.120 10.011 6.728 1.00 25.12 H new ATOM 0 HG LEU A 127 9.061 10.347 3.850 1.00 23.15 H new ATOM 0 HD11 LEU A 127 6.784 9.616 3.221 1.00 73.02 H new ATOM 0 HD12 LEU A 127 7.677 8.351 4.099 1.00 73.02 H new ATOM 0 HD13 LEU A 127 6.423 9.298 4.935 1.00 73.02 H new ATOM 0 HD21 LEU A 127 7.241 12.011 3.638 1.00 72.41 H new ATOM 0 HD22 LEU A 127 6.904 11.852 5.378 1.00 72.41 H new ATOM 0 HD23 LEU A 127 8.466 12.506 4.831 1.00 72.41 H new ATOM 2155 N GLU A 128 11.631 9.435 7.603 1.00 72.13 N ATOM 2156 CA GLU A 128 12.431 8.902 8.724 1.00 24.55 C ATOM 2157 C GLU A 128 13.149 10.056 9.443 1.00 30.43 C ATOM 2158 O GLU A 128 13.063 10.205 10.673 1.00 13.53 O ATOM 2159 CB GLU A 128 13.486 7.900 8.193 1.00 53.02 C ATOM 2160 CG GLU A 128 14.350 7.235 9.287 1.00 4.22 C ATOM 2161 CD GLU A 128 15.526 6.417 8.723 1.00 43.44 C ATOM 2162 OE1 GLU A 128 15.293 5.314 8.186 1.00 71.24 O ATOM 2163 OE2 GLU A 128 16.688 6.872 8.811 1.00 53.13 O ATOM 0 H GLU A 128 11.877 9.027 6.701 1.00 72.13 H new ATOM 0 HA GLU A 128 11.765 8.392 9.420 1.00 24.55 H new ATOM 0 HB2 GLU A 128 12.975 7.120 7.628 1.00 53.02 H new ATOM 0 HB3 GLU A 128 14.143 8.420 7.496 1.00 53.02 H new ATOM 0 HG2 GLU A 128 14.739 8.007 9.951 1.00 4.22 H new ATOM 0 HG3 GLU A 128 13.720 6.582 9.891 1.00 4.22 H new ATOM 2170 N HIS A 129 13.841 10.872 8.625 1.00 2.25 N ATOM 2171 CA HIS A 129 14.557 12.060 9.086 1.00 42.30 C ATOM 2172 C HIS A 129 13.528 13.185 9.300 1.00 74.25 C ATOM 2173 O HIS A 129 13.084 13.814 8.339 1.00 4.22 O ATOM 2174 CB HIS A 129 15.649 12.456 8.052 1.00 15.41 C ATOM 2175 CG HIS A 129 16.629 13.497 8.528 1.00 71.44 C ATOM 2176 ND1 HIS A 129 17.223 14.401 7.689 1.00 0.14 N ATOM 2177 CD2 HIS A 129 17.139 13.745 9.761 1.00 13.50 C ATOM 2178 CE1 HIS A 129 18.063 15.149 8.374 1.00 64.45 C ATOM 2179 NE2 HIS A 129 18.028 14.775 9.635 1.00 12.22 N ATOM 0 H HIS A 129 13.915 10.717 7.619 1.00 2.25 H new ATOM 0 HA HIS A 129 15.068 11.867 10.029 1.00 42.30 H new ATOM 0 HB2 HIS A 129 16.202 11.560 7.769 1.00 15.41 H new ATOM 0 HB3 HIS A 129 15.158 12.825 7.151 1.00 15.41 H new ATOM 0 HD2 HIS A 129 16.888 13.224 10.673 1.00 13.50 H new ATOM 0 HE1 HIS A 129 18.678 15.938 7.968 1.00 64.45 H new ATOM 0 HE2 HIS A 129 18.574 15.186 10.393 1.00 12.22 H new ATOM 2188 N HIS A 130 13.134 13.378 10.570 1.00 23.45 N ATOM 2189 CA HIS A 130 12.034 14.279 10.970 1.00 21.03 C ATOM 2190 C HIS A 130 12.247 15.705 10.426 1.00 74.43 C ATOM 2191 O HIS A 130 13.309 16.299 10.636 1.00 42.10 O ATOM 2192 CB HIS A 130 11.885 14.285 12.506 1.00 1.34 C ATOM 2193 CG HIS A 130 11.649 12.917 13.092 1.00 65.13 C ATOM 2194 ND1 HIS A 130 12.565 12.279 13.893 1.00 35.22 N ATOM 2195 CD2 HIS A 130 10.594 12.072 12.983 1.00 21.33 C ATOM 2196 CE1 HIS A 130 12.083 11.110 14.260 1.00 24.53 C ATOM 2197 NE2 HIS A 130 10.888 10.957 13.720 1.00 31.14 N ATOM 0 H HIS A 130 13.575 12.907 11.360 1.00 23.45 H new ATOM 0 HA HIS A 130 11.109 13.903 10.533 1.00 21.03 H new ATOM 0 HB2 HIS A 130 12.785 14.711 12.949 1.00 1.34 H new ATOM 0 HB3 HIS A 130 11.056 14.937 12.780 1.00 1.34 H new ATOM 0 HD2 HIS A 130 9.690 12.247 12.419 1.00 21.33 H new ATOM 0 HE1 HIS A 130 12.582 10.395 14.897 1.00 24.53 H new ATOM 0 HE2 HIS A 130 10.284 10.143 13.833 1.00 31.14 H new ATOM 2206 N HIS A 131 11.216 16.198 9.705 1.00 23.31 N ATOM 2207 CA HIS A 131 11.271 17.427 8.883 1.00 71.43 C ATOM 2208 C HIS A 131 11.856 18.657 9.629 1.00 61.24 C ATOM 2209 O HIS A 131 11.214 19.262 10.499 1.00 43.21 O ATOM 2210 CB HIS A 131 9.872 17.744 8.269 1.00 22.40 C ATOM 2211 CG HIS A 131 8.736 17.941 9.258 1.00 74.43 C ATOM 2212 ND1 HIS A 131 7.892 19.033 9.241 1.00 33.22 N ATOM 2213 CD2 HIS A 131 8.286 17.150 10.263 1.00 52.23 C ATOM 2214 CE1 HIS A 131 6.983 18.902 10.189 1.00 60.30 C ATOM 2215 NE2 HIS A 131 7.202 17.768 10.820 1.00 64.14 N ATOM 0 H HIS A 131 10.303 15.743 9.678 1.00 23.31 H new ATOM 0 HA HIS A 131 11.972 17.220 8.074 1.00 71.43 H new ATOM 0 HB2 HIS A 131 9.960 18.646 7.664 1.00 22.40 H new ATOM 0 HB3 HIS A 131 9.602 16.932 7.594 1.00 22.40 H new ATOM 0 HD2 HIS A 131 8.708 16.204 10.568 1.00 52.23 H new ATOM 0 HE1 HIS A 131 6.194 19.606 10.409 1.00 60.30 H new ATOM 0 HE2 HIS A 131 6.651 17.408 11.599 1.00 64.14 H new ATOM 2224 N HIS A 132 13.114 18.977 9.277 1.00 31.34 N ATOM 2225 CA HIS A 132 13.858 20.143 9.773 1.00 52.11 C ATOM 2226 C HIS A 132 13.327 21.407 9.070 1.00 64.01 C ATOM 2227 O HIS A 132 13.878 21.865 8.063 1.00 25.14 O ATOM 2228 CB HIS A 132 15.378 19.904 9.518 1.00 2.14 C ATOM 2229 CG HIS A 132 16.305 21.070 9.782 1.00 75.14 C ATOM 2230 ND1 HIS A 132 16.688 21.467 11.039 1.00 31.43 N ATOM 2231 CD2 HIS A 132 16.934 21.911 8.919 1.00 53.34 C ATOM 2232 CE1 HIS A 132 17.510 22.494 10.944 1.00 10.44 C ATOM 2233 NE2 HIS A 132 17.676 22.779 9.668 1.00 22.14 N ATOM 0 H HIS A 132 13.654 18.414 8.621 1.00 31.34 H new ATOM 0 HA HIS A 132 13.720 20.284 10.845 1.00 52.11 H new ATOM 0 HB2 HIS A 132 15.699 19.067 10.138 1.00 2.14 H new ATOM 0 HB3 HIS A 132 15.504 19.598 8.480 1.00 2.14 H new ATOM 0 HD2 HIS A 132 16.861 21.896 7.842 1.00 53.34 H new ATOM 0 HE1 HIS A 132 17.969 23.014 11.772 1.00 10.44 H new ATOM 0 HE2 HIS A 132 18.264 23.527 9.300 1.00 22.14 H new ATOM 2242 N HIS A 133 12.172 21.890 9.554 1.00 21.41 N ATOM 2243 CA HIS A 133 11.464 23.060 8.986 1.00 20.03 C ATOM 2244 C HIS A 133 10.928 23.933 10.132 1.00 4.23 C ATOM 2245 O HIS A 133 9.716 24.178 10.255 1.00 40.31 O ATOM 2246 CB HIS A 133 10.326 22.594 8.018 1.00 4.52 C ATOM 2247 CG HIS A 133 10.816 22.094 6.677 1.00 12.53 C ATOM 2248 ND1 HIS A 133 10.887 22.896 5.560 1.00 24.40 N ATOM 2249 CD2 HIS A 133 11.285 20.882 6.286 1.00 72.14 C ATOM 2250 CE1 HIS A 133 11.387 22.208 4.553 1.00 10.02 C ATOM 2251 NE2 HIS A 133 11.637 20.981 4.966 1.00 33.22 N ATOM 0 H HIS A 133 11.695 21.480 10.357 1.00 21.41 H new ATOM 0 HA HIS A 133 12.155 23.661 8.396 1.00 20.03 H new ATOM 0 HB2 HIS A 133 9.755 21.801 8.502 1.00 4.52 H new ATOM 0 HB3 HIS A 133 9.641 23.426 7.854 1.00 4.52 H new ATOM 0 HD2 HIS A 133 11.366 20.000 6.904 1.00 72.14 H new ATOM 0 HE1 HIS A 133 11.562 22.586 3.557 1.00 10.02 H new ATOM 0 HE2 HIS A 133 12.028 20.230 4.397 1.00 33.22 H new ATOM 2260 N HIS A 134 11.869 24.375 10.986 1.00 13.34 N ATOM 2261 CA HIS A 134 11.601 25.242 12.149 1.00 33.22 C ATOM 2262 C HIS A 134 12.948 25.765 12.722 1.00 12.41 C ATOM 2263 O HIS A 134 13.100 26.994 12.897 1.00 21.13 O ATOM 2264 CB HIS A 134 10.751 24.510 13.241 1.00 1.25 C ATOM 2265 CG HIS A 134 11.318 23.206 13.747 1.00 71.53 C ATOM 2266 ND1 HIS A 134 11.200 22.020 13.049 1.00 71.12 N ATOM 2267 CD2 HIS A 134 12.005 22.904 14.877 1.00 71.45 C ATOM 2268 CE1 HIS A 134 11.789 21.053 13.727 1.00 75.20 C ATOM 2269 NE2 HIS A 134 12.286 21.565 14.835 1.00 22.23 N ATOM 2270 OXT HIS A 134 13.866 24.942 12.945 1.00 37.57 O ATOM 0 H HIS A 134 12.855 24.135 10.886 1.00 13.34 H new ATOM 0 HA HIS A 134 11.003 26.092 11.820 1.00 33.22 H new ATOM 0 HB2 HIS A 134 10.625 25.183 14.089 1.00 1.25 H new ATOM 0 HB3 HIS A 134 9.758 24.320 12.835 1.00 1.25 H new ATOM 0 HD2 HIS A 134 12.279 23.592 15.663 1.00 71.45 H new ATOM 0 HE1 HIS A 134 11.853 20.018 13.425 1.00 75.20 H new ATOM 0 HE2 HIS A 134 12.799 21.046 15.548 1.00 22.23 H new TER 2279 HIS A 134