USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 987 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 15 GLN : amide:sc= 0.0326 X(o=-0.16,f=-0.26) USER MOD Set 1.2: A 80 ASN : amide:sc= -0.197 K(o=-0.16,f=-2.1) USER MOD Set 2.1: A 71 THR OG1 : rot 90:sc= 0.273 USER MOD Set 2.2: A 75 LYS NZ :NH3+ 146:sc= 1.6 (180deg=-1.01) USER MOD Set 3.1: A 70 TYR OH : rot -94:sc= 0.693 USER MOD Set 3.2: A 124 ASN : amide:sc= 0.314 X(o=1,f=0.64) USER MOD Set 4.1: A 11 THR OG1 : rot -109:sc= 0.555 USER MOD Set 4.2: A 85 GLN : amide:sc= -0.947 K(o=-0.39,f=-7.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.0321) USER MOD Single : A 3 HIS : no HD1:sc= -0.0163 X(o=-0.016,f=-0.016) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.009) USER MOD Single : A 5 HIS : no HD1:sc=-0.00626 X(o=-0.0063,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HE2:sc= -0.523 K(o=-0.52,f=-4.1!) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 9 MET CE :methyl -165:sc= -0.142 (180deg=-0.512) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00515 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 21 SER OG : rot 43:sc= 0.172 USER MOD Single : A 22 MET CE :methyl -144:sc= -0.096 (180deg=-1.06) USER MOD Single : A 25 GLN : amide:sc= -1.44 K(o=-1.4,f=-2.4) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -74:sc= 1.21 USER MOD Single : A 37 SER OG : rot -26:sc= 0.0736 USER MOD Single : A 38 CYS SG : rot 48:sc= -3.86! USER MOD Single : A 39 ASN : amide:sc=-0.00424 X(o=-0.0042,f=0) USER MOD Single : A 41 ASN : amide:sc= -0.225 K(o=-0.23,f=-2.7!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.834 X(o=-0.83,f=-0.96) USER MOD Single : A 65 LYS NZ :NH3+ -163:sc= -0.0524 (180deg=-0.362) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 69 GLN : amide:sc= -0.733 K(o=-0.73,f=0) USER MOD Single : A 73 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 173:sc= -3.56! (180deg=-3.92!) USER MOD Single : A 84 ASN : amide:sc= -1.28! K(o=-1.3!,f=-0.14) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -1.22 K(o=-1.2,f=-6.1!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 104:sc= 1.1 USER MOD Single : A 101 MET CE :methyl 138:sc= -0.567 (180deg=-3.07!) USER MOD Single : A 103 LYS NZ :NH3+ 154:sc= 1.15 (180deg=0.596) USER MOD Single : A 104 ASN : amide:sc= -1.44 X(o=-1.4,f=-1.7) USER MOD Single : A 106 LYS NZ :NH3+ -168:sc= -0.0424 (180deg=-0.198) USER MOD Single : A 107 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0627) USER MOD Single : A 109 SER OG : rot 145:sc= 0.776 USER MOD Single : A 110 GLN : amide:sc= -0.763 X(o=-0.76,f=-0.97) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= 0.539 K(o=0.54,f=-0.38) USER MOD Single : A 126 ASN : amide:sc= -0.495! C(o=-0.49!,f=-2.4!) USER MOD Single : A 128 ASN : amide:sc= -0.0315 X(o=-0.032,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.256 10.427 12.040 1.00 4.31 N ATOM 2 CA MET A 1 -22.381 9.921 12.860 1.00 42.23 C ATOM 3 C MET A 1 -22.587 8.427 12.614 1.00 13.04 C ATOM 4 O MET A 1 -23.187 8.027 11.610 1.00 54.55 O ATOM 5 CB MET A 1 -23.674 10.694 12.546 1.00 13.52 C ATOM 6 CG MET A 1 -23.628 12.171 12.925 1.00 44.41 C ATOM 7 SD MET A 1 -25.192 13.021 12.610 1.00 25.22 S ATOM 8 CE MET A 1 -24.780 14.692 13.121 1.00 52.31 C ATOM 0 H1 MET A 1 -21.050 11.412 12.303 1.00 4.31 H new ATOM 0 H2 MET A 1 -20.413 9.841 12.207 1.00 4.31 H new ATOM 0 H3 MET A 1 -21.513 10.384 11.033 1.00 4.31 H new ATOM 0 HA MET A 1 -22.134 10.074 13.911 1.00 42.23 H new ATOM 0 HB2 MET A 1 -23.884 10.611 11.480 1.00 13.52 H new ATOM 0 HB3 MET A 1 -24.503 10.221 13.072 1.00 13.52 H new ATOM 0 HG2 MET A 1 -23.375 12.263 13.981 1.00 44.41 H new ATOM 0 HG3 MET A 1 -22.833 12.661 12.363 1.00 44.41 H new ATOM 0 HE1 MET A 1 -25.647 15.338 12.986 1.00 52.31 H new ATOM 0 HE2 MET A 1 -24.489 14.690 14.172 1.00 52.31 H new ATOM 0 HE3 MET A 1 -23.953 15.064 12.516 1.00 52.31 H new ATOM 20 N ALA A 2 -22.074 7.606 13.530 1.00 25.12 N ATOM 21 CA ALA A 2 -22.190 6.154 13.425 1.00 33.10 C ATOM 22 C ALA A 2 -23.560 5.689 13.914 1.00 51.53 C ATOM 23 O ALA A 2 -23.952 5.971 15.049 1.00 13.31 O ATOM 24 CB ALA A 2 -21.077 5.476 14.221 1.00 3.42 C ATOM 0 H ALA A 2 -21.571 7.926 14.358 1.00 25.12 H new ATOM 0 HA ALA A 2 -22.088 5.872 12.377 1.00 33.10 H new ATOM 0 HB1 ALA A 2 -21.175 4.394 14.134 1.00 3.42 H new ATOM 0 HB2 ALA A 2 -20.108 5.785 13.828 1.00 3.42 H new ATOM 0 HB3 ALA A 2 -21.152 5.764 15.269 1.00 3.42 H new ATOM 30 N HIS A 3 -24.288 4.982 13.054 1.00 54.24 N ATOM 31 CA HIS A 3 -25.637 4.518 13.382 1.00 40.50 C ATOM 32 C HIS A 3 -25.677 2.992 13.486 1.00 73.42 C ATOM 33 O HIS A 3 -26.711 2.413 13.814 1.00 10.20 O ATOM 34 CB HIS A 3 -26.632 5.014 12.321 1.00 64.41 C ATOM 35 CG HIS A 3 -28.073 4.928 12.739 1.00 75.14 C ATOM 36 ND1 HIS A 3 -28.682 5.878 13.534 1.00 64.04 N ATOM 37 CD2 HIS A 3 -29.030 4.011 12.457 1.00 63.32 C ATOM 38 CE1 HIS A 3 -29.945 5.549 13.720 1.00 50.13 C ATOM 39 NE2 HIS A 3 -30.182 4.424 13.079 1.00 11.24 N ATOM 0 H HIS A 3 -23.968 4.716 12.123 1.00 54.24 H new ATOM 0 HA HIS A 3 -25.921 4.928 14.351 1.00 40.50 H new ATOM 0 HB2 HIS A 3 -26.398 6.050 12.076 1.00 64.41 H new ATOM 0 HB3 HIS A 3 -26.494 4.432 11.410 1.00 64.41 H new ATOM 0 HD2 HIS A 3 -28.909 3.122 11.856 1.00 63.32 H new ATOM 0 HE1 HIS A 3 -30.664 6.108 14.300 1.00 50.13 H new ATOM 0 HE2 HIS A 3 -31.078 3.937 13.049 1.00 11.24 H new ATOM 48 N HIS A 4 -24.544 2.345 13.191 1.00 32.22 N ATOM 49 CA HIS A 4 -24.432 0.887 13.288 1.00 64.33 C ATOM 50 C HIS A 4 -22.980 0.447 13.103 1.00 75.22 C ATOM 51 O HIS A 4 -22.241 1.049 12.323 1.00 44.31 O ATOM 52 CB HIS A 4 -25.324 0.192 12.243 1.00 3.01 C ATOM 53 CG HIS A 4 -24.894 0.407 10.820 1.00 44.31 C ATOM 54 ND1 HIS A 4 -24.423 -0.607 10.012 1.00 52.13 N ATOM 55 CD2 HIS A 4 -24.875 1.527 10.059 1.00 64.44 C ATOM 56 CE1 HIS A 4 -24.131 -0.121 8.821 1.00 50.23 C ATOM 57 NE2 HIS A 4 -24.397 1.172 8.821 1.00 75.44 N ATOM 0 H HIS A 4 -23.690 2.810 12.882 1.00 32.22 H new ATOM 0 HA HIS A 4 -24.770 0.594 14.282 1.00 64.33 H new ATOM 0 HB2 HIS A 4 -25.337 -0.878 12.448 1.00 3.01 H new ATOM 0 HB3 HIS A 4 -26.347 0.551 12.359 1.00 3.01 H new ATOM 0 HD2 HIS A 4 -25.179 2.516 10.368 1.00 64.44 H new ATOM 0 HE1 HIS A 4 -23.740 -0.685 7.987 1.00 50.23 H new ATOM 0 HE2 HIS A 4 -24.269 1.804 8.031 1.00 75.44 H new ATOM 66 N HIS A 5 -22.577 -0.594 13.831 1.00 12.33 N ATOM 67 CA HIS A 5 -21.235 -1.168 13.705 1.00 14.30 C ATOM 68 C HIS A 5 -21.343 -2.593 13.168 1.00 32.42 C ATOM 69 O HIS A 5 -21.984 -3.445 13.788 1.00 14.44 O ATOM 70 CB HIS A 5 -20.507 -1.174 15.061 1.00 3.34 C ATOM 71 CG HIS A 5 -20.235 0.194 15.621 1.00 54.53 C ATOM 72 ND1 HIS A 5 -18.966 0.719 15.749 1.00 2.21 N ATOM 73 CD2 HIS A 5 -21.077 1.142 16.100 1.00 2.21 C ATOM 74 CE1 HIS A 5 -19.040 1.925 16.282 1.00 31.22 C ATOM 75 NE2 HIS A 5 -20.311 2.208 16.505 1.00 41.14 N ATOM 0 H HIS A 5 -23.166 -1.061 14.520 1.00 12.33 H new ATOM 0 HA HIS A 5 -20.657 -0.555 13.013 1.00 14.30 H new ATOM 0 HB2 HIS A 5 -21.105 -1.736 15.779 1.00 3.34 H new ATOM 0 HB3 HIS A 5 -19.561 -1.704 14.950 1.00 3.34 H new ATOM 0 HD2 HIS A 5 -22.153 1.072 16.153 1.00 2.21 H new ATOM 0 HE1 HIS A 5 -18.202 2.571 16.499 1.00 31.22 H new ATOM 0 HE2 HIS A 5 -20.665 3.074 16.911 1.00 41.14 H new ATOM 84 N HIS A 6 -20.730 -2.851 12.016 1.00 33.01 N ATOM 85 CA HIS A 6 -20.825 -4.162 11.379 1.00 3.54 C ATOM 86 C HIS A 6 -19.485 -4.580 10.784 1.00 43.14 C ATOM 87 O HIS A 6 -19.159 -4.216 9.656 1.00 72.11 O ATOM 88 CB HIS A 6 -21.909 -4.152 10.289 1.00 21.11 C ATOM 89 CG HIS A 6 -22.087 -5.479 9.606 1.00 3.54 C ATOM 90 ND1 HIS A 6 -22.918 -6.467 10.085 1.00 54.05 N ATOM 91 CD2 HIS A 6 -21.524 -5.979 8.480 1.00 33.51 C ATOM 92 CE1 HIS A 6 -22.859 -7.514 9.286 1.00 2.14 C ATOM 93 NE2 HIS A 6 -22.020 -7.245 8.303 1.00 24.14 N ATOM 0 H HIS A 6 -20.164 -2.173 11.506 1.00 33.01 H new ATOM 0 HA HIS A 6 -21.100 -4.888 12.144 1.00 3.54 H new ATOM 0 HB2 HIS A 6 -22.858 -3.852 10.734 1.00 21.11 H new ATOM 0 HB3 HIS A 6 -21.655 -3.400 9.542 1.00 21.11 H new ATOM 0 HD2 HIS A 6 -20.816 -5.474 7.840 1.00 33.51 H new ATOM 0 HE1 HIS A 6 -23.405 -8.437 9.414 1.00 2.14 H new ATOM 0 HE2 HIS A 6 -21.780 -7.875 7.538 1.00 24.14 H new ATOM 102 N HIS A 7 -18.714 -5.339 11.557 1.00 42.33 N ATOM 103 CA HIS A 7 -17.436 -5.875 11.092 1.00 24.34 C ATOM 104 C HIS A 7 -17.024 -7.071 11.940 1.00 1.10 C ATOM 105 O HIS A 7 -17.580 -7.304 13.014 1.00 54.45 O ATOM 106 CB HIS A 7 -16.332 -4.798 11.125 1.00 64.14 C ATOM 107 CG HIS A 7 -16.062 -4.210 12.484 1.00 63.23 C ATOM 108 ND1 HIS A 7 -16.167 -2.862 12.750 1.00 14.23 N ATOM 109 CD2 HIS A 7 -15.661 -4.784 13.645 1.00 34.21 C ATOM 110 CE1 HIS A 7 -15.848 -2.634 14.007 1.00 3.12 C ATOM 111 NE2 HIS A 7 -15.536 -3.783 14.573 1.00 42.43 N ATOM 0 H HIS A 7 -18.953 -5.599 12.514 1.00 42.33 H new ATOM 0 HA HIS A 7 -17.565 -6.197 10.059 1.00 24.34 H new ATOM 0 HB2 HIS A 7 -15.408 -5.233 10.743 1.00 64.14 H new ATOM 0 HB3 HIS A 7 -16.610 -3.993 10.445 1.00 64.14 H new ATOM 0 HD1 HIS A 7 -16.449 -2.150 12.076 1.00 14.23 H new ATOM 0 HD2 HIS A 7 -15.475 -5.835 13.808 1.00 34.21 H new ATOM 0 HE1 HIS A 7 -15.843 -1.669 14.492 1.00 3.12 H new ATOM 120 N HIS A 8 -16.053 -7.827 11.448 1.00 54.45 N ATOM 121 CA HIS A 8 -15.480 -8.944 12.192 1.00 53.22 C ATOM 122 C HIS A 8 -14.012 -8.665 12.491 1.00 73.33 C ATOM 123 O HIS A 8 -13.239 -8.355 11.584 1.00 64.13 O ATOM 124 CB HIS A 8 -15.617 -10.252 11.400 1.00 0.00 C ATOM 125 CG HIS A 8 -17.028 -10.749 11.289 1.00 34.41 C ATOM 126 ND1 HIS A 8 -17.493 -11.845 11.981 1.00 11.25 N ATOM 127 CD2 HIS A 8 -18.078 -10.296 10.561 1.00 71.03 C ATOM 128 CE1 HIS A 8 -18.762 -12.046 11.684 1.00 72.43 C ATOM 129 NE2 HIS A 8 -19.143 -11.120 10.827 1.00 73.42 N ATOM 0 H HIS A 8 -15.640 -7.686 10.526 1.00 54.45 H new ATOM 0 HA HIS A 8 -16.024 -9.053 13.130 1.00 53.22 H new ATOM 0 HB2 HIS A 8 -15.215 -10.103 10.398 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -15.008 -11.020 11.877 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -18.077 -9.445 9.896 1.00 71.03 H new ATOM 0 HE1 HIS A 8 -19.384 -12.836 12.077 1.00 72.43 H new ATOM 0 HE2 HIS A 8 -20.077 -11.030 10.427 1.00 73.42 H new ATOM 138 N MET A 9 -13.639 -8.752 13.764 1.00 34.52 N ATOM 139 CA MET A 9 -12.254 -8.527 14.175 1.00 72.13 C ATOM 140 C MET A 9 -11.485 -9.844 14.119 1.00 41.34 C ATOM 141 O MET A 9 -12.013 -10.894 14.488 1.00 22.45 O ATOM 142 CB MET A 9 -12.193 -7.926 15.590 1.00 53.24 C ATOM 143 CG MET A 9 -12.631 -8.881 16.690 1.00 32.52 C ATOM 144 SD MET A 9 -12.705 -8.091 18.312 1.00 4.40 S ATOM 145 CE MET A 9 -11.015 -7.522 18.505 1.00 4.34 C ATOM 0 H MET A 9 -14.275 -8.976 14.530 1.00 34.52 H new ATOM 0 HA MET A 9 -11.795 -7.814 13.490 1.00 72.13 H new ATOM 0 HB2 MET A 9 -11.172 -7.601 15.791 1.00 53.24 H new ATOM 0 HB3 MET A 9 -12.823 -7.037 15.623 1.00 53.24 H new ATOM 0 HG2 MET A 9 -13.612 -9.287 16.443 1.00 32.52 H new ATOM 0 HG3 MET A 9 -11.939 -9.722 16.732 1.00 32.52 H new ATOM 0 HE1 MET A 9 -10.837 -7.258 19.547 1.00 4.34 H new ATOM 0 HE2 MET A 9 -10.328 -8.315 18.209 1.00 4.34 H new ATOM 0 HE3 MET A 9 -10.852 -6.647 17.876 1.00 4.34 H new ATOM 155 N GLY A 10 -10.249 -9.784 13.643 1.00 11.35 N ATOM 156 CA GLY A 10 -9.440 -10.978 13.497 1.00 70.22 C ATOM 157 C GLY A 10 -8.341 -10.781 12.478 1.00 74.43 C ATOM 158 O GLY A 10 -8.481 -11.163 11.313 1.00 43.02 O ATOM 0 H GLY A 10 -9.789 -8.921 13.353 1.00 11.35 H new ATOM 0 HA2 GLY A 10 -9.002 -11.242 14.460 1.00 70.22 H new ATOM 0 HA3 GLY A 10 -10.073 -11.813 13.195 1.00 70.22 H new ATOM 162 N THR A 11 -7.257 -10.148 12.909 1.00 60.43 N ATOM 163 CA THR A 11 -6.114 -9.889 12.042 1.00 25.42 C ATOM 164 C THR A 11 -4.811 -9.909 12.839 1.00 75.31 C ATOM 165 O THR A 11 -3.777 -10.352 12.336 1.00 21.32 O ATOM 166 CB THR A 11 -6.254 -8.518 11.334 1.00 13.40 C ATOM 167 OG1 THR A 11 -7.539 -8.421 10.702 1.00 64.41 O ATOM 168 CG2 THR A 11 -5.157 -8.317 10.289 1.00 0.15 C ATOM 0 H THR A 11 -7.145 -9.802 13.862 1.00 60.43 H new ATOM 0 HA THR A 11 -6.090 -10.679 11.291 1.00 25.42 H new ATOM 0 HB THR A 11 -6.155 -7.740 12.091 1.00 13.40 H new ATOM 0 HG1 THR A 11 -7.429 -8.465 9.729 1.00 64.41 H new ATOM 0 HG21 THR A 11 -5.284 -7.346 9.811 1.00 0.15 H new ATOM 0 HG22 THR A 11 -4.181 -8.358 10.773 1.00 0.15 H new ATOM 0 HG23 THR A 11 -5.223 -9.103 9.537 1.00 0.15 H new ATOM 176 N LEU A 12 -4.883 -9.438 14.090 1.00 53.11 N ATOM 177 CA LEU A 12 -3.708 -9.255 14.950 1.00 43.15 C ATOM 178 C LEU A 12 -2.853 -8.089 14.439 1.00 34.53 C ATOM 179 O LEU A 12 -2.613 -7.127 15.170 1.00 21.35 O ATOM 180 CB LEU A 12 -2.870 -10.546 15.055 1.00 54.20 C ATOM 181 CG LEU A 12 -1.646 -10.467 15.988 1.00 52.21 C ATOM 182 CD1 LEU A 12 -2.068 -10.138 17.421 1.00 24.22 C ATOM 183 CD2 LEU A 12 -0.854 -11.774 15.946 1.00 10.25 C ATOM 0 H LEU A 12 -5.761 -9.172 14.536 1.00 53.11 H new ATOM 0 HA LEU A 12 -4.062 -9.018 15.953 1.00 43.15 H new ATOM 0 HB2 LEU A 12 -3.517 -11.352 15.401 1.00 54.20 H new ATOM 0 HB3 LEU A 12 -2.527 -10.818 14.057 1.00 54.20 H new ATOM 0 HG LEU A 12 -1.003 -9.662 15.634 1.00 52.21 H new ATOM 0 HD11 LEU A 12 -1.185 -10.088 18.058 1.00 24.22 H new ATOM 0 HD12 LEU A 12 -2.582 -9.177 17.437 1.00 24.22 H new ATOM 0 HD13 LEU A 12 -2.738 -10.914 17.790 1.00 24.22 H new ATOM 0 HD21 LEU A 12 0.007 -11.700 16.611 1.00 10.25 H new ATOM 0 HD22 LEU A 12 -1.492 -12.597 16.269 1.00 10.25 H new ATOM 0 HD23 LEU A 12 -0.511 -11.959 14.928 1.00 10.25 H new ATOM 195 N GLU A 13 -2.408 -8.194 13.182 1.00 50.31 N ATOM 196 CA GLU A 13 -1.658 -7.137 12.501 1.00 41.21 C ATOM 197 C GLU A 13 -0.289 -6.920 13.148 1.00 62.15 C ATOM 198 O GLU A 13 -0.178 -6.353 14.239 1.00 22.31 O ATOM 199 CB GLU A 13 -2.459 -5.821 12.460 1.00 71.35 C ATOM 200 CG GLU A 13 -1.730 -4.663 11.776 1.00 11.33 C ATOM 201 CD GLU A 13 -1.380 -4.944 10.317 1.00 71.22 C ATOM 202 OE1 GLU A 13 -0.403 -5.680 10.064 1.00 43.54 O ATOM 203 OE2 GLU A 13 -2.058 -4.408 9.413 1.00 23.21 O ATOM 0 H GLU A 13 -2.560 -9.022 12.606 1.00 50.31 H new ATOM 0 HA GLU A 13 -1.495 -7.463 11.474 1.00 41.21 H new ATOM 0 HB2 GLU A 13 -3.401 -5.999 11.942 1.00 71.35 H new ATOM 0 HB3 GLU A 13 -2.706 -5.528 13.480 1.00 71.35 H new ATOM 0 HG2 GLU A 13 -2.353 -3.770 11.827 1.00 11.33 H new ATOM 0 HG3 GLU A 13 -0.815 -4.444 12.326 1.00 11.33 H new ATOM 210 N ALA A 14 0.752 -7.387 12.471 1.00 34.31 N ATOM 211 CA ALA A 14 2.112 -7.228 12.956 1.00 0.21 C ATOM 212 C ALA A 14 2.635 -5.843 12.587 1.00 14.50 C ATOM 213 O ALA A 14 3.086 -5.617 11.461 1.00 15.45 O ATOM 214 CB ALA A 14 3.017 -8.321 12.395 1.00 1.41 C ATOM 0 H ALA A 14 0.677 -7.880 11.581 1.00 34.31 H new ATOM 0 HA ALA A 14 2.112 -7.322 14.042 1.00 0.21 H new ATOM 0 HB1 ALA A 14 4.031 -8.183 12.771 1.00 1.41 H new ATOM 0 HB2 ALA A 14 2.645 -9.297 12.706 1.00 1.41 H new ATOM 0 HB3 ALA A 14 3.023 -8.265 11.306 1.00 1.41 H new ATOM 220 N GLN A 15 2.531 -4.913 13.531 1.00 2.12 N ATOM 221 CA GLN A 15 2.976 -3.538 13.322 1.00 44.53 C ATOM 222 C GLN A 15 4.451 -3.511 12.918 1.00 74.44 C ATOM 223 O GLN A 15 5.328 -3.824 13.725 1.00 2.24 O ATOM 224 CB GLN A 15 2.759 -2.711 14.598 1.00 22.34 C ATOM 225 CG GLN A 15 1.337 -2.794 15.144 1.00 62.23 C ATOM 226 CD GLN A 15 1.150 -1.997 16.423 1.00 43.32 C ATOM 227 OE1 GLN A 15 1.378 -2.502 17.523 1.00 14.12 O ATOM 228 NE2 GLN A 15 0.730 -0.750 16.292 1.00 22.05 N ATOM 0 H GLN A 15 2.139 -5.088 14.456 1.00 2.12 H new ATOM 0 HA GLN A 15 2.387 -3.100 12.516 1.00 44.53 H new ATOM 0 HB2 GLN A 15 3.454 -3.052 15.365 1.00 22.34 H new ATOM 0 HB3 GLN A 15 3.000 -1.668 14.391 1.00 22.34 H new ATOM 0 HG2 GLN A 15 0.641 -2.429 14.389 1.00 62.23 H new ATOM 0 HG3 GLN A 15 1.085 -3.838 15.332 1.00 62.23 H new ATOM 0 HE21 GLN A 15 0.552 -0.367 15.364 1.00 22.05 H new ATOM 0 HE22 GLN A 15 0.584 -0.171 17.119 1.00 22.05 H new ATOM 237 N THR A 16 4.710 -3.160 11.661 1.00 5.03 N ATOM 238 CA THR A 16 6.062 -3.124 11.119 1.00 64.35 C ATOM 239 C THR A 16 6.952 -2.148 11.899 1.00 54.42 C ATOM 240 O THR A 16 6.980 -0.945 11.615 1.00 3.42 O ATOM 241 CB THR A 16 6.035 -2.725 9.627 1.00 24.32 C ATOM 242 OG1 THR A 16 4.990 -3.450 8.957 1.00 23.04 O ATOM 243 CG2 THR A 16 7.376 -3.016 8.952 1.00 22.22 C ATOM 0 H THR A 16 3.988 -2.893 10.992 1.00 5.03 H new ATOM 0 HA THR A 16 6.482 -4.125 11.217 1.00 64.35 H new ATOM 0 HB THR A 16 5.847 -1.653 9.561 1.00 24.32 H new ATOM 0 HG1 THR A 16 4.971 -3.196 8.011 1.00 23.04 H new ATOM 0 HG21 THR A 16 7.326 -2.725 7.903 1.00 22.22 H new ATOM 0 HG22 THR A 16 8.164 -2.450 9.449 1.00 22.22 H new ATOM 0 HG23 THR A 16 7.595 -4.081 9.023 1.00 22.22 H new ATOM 251 N GLN A 17 7.654 -2.674 12.898 1.00 51.30 N ATOM 252 CA GLN A 17 8.563 -1.878 13.716 1.00 35.24 C ATOM 253 C GLN A 17 9.863 -1.612 12.954 1.00 35.41 C ATOM 254 O GLN A 17 10.905 -2.200 13.253 1.00 42.01 O ATOM 255 CB GLN A 17 8.855 -2.600 15.044 1.00 50.45 C ATOM 256 CG GLN A 17 7.605 -2.902 15.870 1.00 44.13 C ATOM 257 CD GLN A 17 7.903 -3.682 17.140 1.00 63.32 C ATOM 258 OE1 GLN A 17 8.981 -3.558 17.723 1.00 10.45 O ATOM 259 NE2 GLN A 17 6.952 -4.493 17.579 1.00 72.20 N ATOM 0 H GLN A 17 7.610 -3.658 13.162 1.00 51.30 H new ATOM 0 HA GLN A 17 8.090 -0.922 13.939 1.00 35.24 H new ATOM 0 HB2 GLN A 17 9.374 -3.535 14.832 1.00 50.45 H new ATOM 0 HB3 GLN A 17 9.533 -1.987 15.639 1.00 50.45 H new ATOM 0 HG2 GLN A 17 7.116 -1.964 16.133 1.00 44.13 H new ATOM 0 HG3 GLN A 17 6.902 -3.468 15.260 1.00 44.13 H new ATOM 0 HE21 GLN A 17 6.072 -4.570 17.069 1.00 72.20 H new ATOM 0 HE22 GLN A 17 7.100 -5.041 18.427 1.00 72.20 H new ATOM 268 N GLY A 18 9.783 -0.744 11.950 1.00 10.44 N ATOM 269 CA GLY A 18 10.938 -0.432 11.124 1.00 2.42 C ATOM 270 C GLY A 18 11.905 0.524 11.803 1.00 22.31 C ATOM 271 O GLY A 18 11.516 1.247 12.723 1.00 72.23 O ATOM 0 H GLY A 18 8.931 -0.247 11.691 1.00 10.44 H new ATOM 0 HA2 GLY A 18 11.461 -1.355 10.875 1.00 2.42 H new ATOM 0 HA3 GLY A 18 10.600 0.006 10.185 1.00 2.42 H new ATOM 275 N PRO A 19 13.177 0.555 11.359 1.00 55.44 N ATOM 276 CA PRO A 19 14.213 1.450 11.912 1.00 31.22 C ATOM 277 C PRO A 19 14.040 2.885 11.412 1.00 74.33 C ATOM 278 O PRO A 19 14.993 3.533 10.969 1.00 32.45 O ATOM 279 CB PRO A 19 15.507 0.832 11.371 1.00 61.33 C ATOM 280 CG PRO A 19 15.108 0.235 10.065 1.00 20.31 C ATOM 281 CD PRO A 19 13.709 -0.287 10.264 1.00 54.54 C ATOM 0 HA PRO A 19 14.183 1.523 12.999 1.00 31.22 H new ATOM 0 HB2 PRO A 19 16.285 1.585 11.244 1.00 61.33 H new ATOM 0 HB3 PRO A 19 15.902 0.077 12.050 1.00 61.33 H new ATOM 0 HG2 PRO A 19 15.138 0.979 9.269 1.00 20.31 H new ATOM 0 HG3 PRO A 19 15.788 -0.567 9.778 1.00 20.31 H new ATOM 0 HD2 PRO A 19 13.112 -0.190 9.357 1.00 54.54 H new ATOM 0 HD3 PRO A 19 13.709 -1.343 10.534 1.00 54.54 H new ATOM 289 N GLY A 20 12.823 3.384 11.543 1.00 24.33 N ATOM 290 CA GLY A 20 12.421 4.603 10.872 1.00 71.31 C ATOM 291 C GLY A 20 11.345 4.270 9.871 1.00 3.51 C ATOM 292 O GLY A 20 11.520 4.470 8.665 1.00 51.25 O ATOM 0 H GLY A 20 12.093 2.958 12.113 1.00 24.33 H new ATOM 0 HA2 GLY A 20 12.052 5.329 11.596 1.00 71.31 H new ATOM 0 HA3 GLY A 20 13.275 5.058 10.371 1.00 71.31 H new ATOM 296 N SER A 21 10.237 3.751 10.400 1.00 2.12 N ATOM 297 CA SER A 21 9.187 3.107 9.617 1.00 31.22 C ATOM 298 C SER A 21 8.853 3.852 8.324 1.00 71.43 C ATOM 299 O SER A 21 8.252 4.930 8.342 1.00 74.54 O ATOM 300 CB SER A 21 7.935 2.947 10.488 1.00 0.22 C ATOM 301 OG SER A 21 7.564 4.180 11.087 1.00 30.42 O ATOM 0 H SER A 21 10.042 3.767 11.401 1.00 2.12 H new ATOM 0 HA SER A 21 9.561 2.130 9.310 1.00 31.22 H new ATOM 0 HB2 SER A 21 7.111 2.573 9.880 1.00 0.22 H new ATOM 0 HB3 SER A 21 8.121 2.204 11.264 1.00 0.22 H new ATOM 0 HG SER A 21 7.645 4.901 10.428 1.00 30.42 H new ATOM 307 N MET A 22 9.273 3.271 7.202 1.00 13.31 N ATOM 308 CA MET A 22 8.864 3.752 5.887 1.00 74.41 C ATOM 309 C MET A 22 7.419 3.338 5.636 1.00 11.32 C ATOM 310 O MET A 22 6.732 3.896 4.779 1.00 30.21 O ATOM 311 CB MET A 22 9.779 3.191 4.792 1.00 4.32 C ATOM 312 CG MET A 22 11.232 3.635 4.916 1.00 43.25 C ATOM 313 SD MET A 22 11.427 5.429 4.840 1.00 62.14 S ATOM 314 CE MET A 22 10.734 5.793 3.228 1.00 10.23 C ATOM 0 H MET A 22 9.898 2.465 7.179 1.00 13.31 H new ATOM 0 HA MET A 22 8.944 4.839 5.862 1.00 74.41 H new ATOM 0 HB2 MET A 22 9.738 2.102 4.820 1.00 4.32 H new ATOM 0 HB3 MET A 22 9.397 3.499 3.819 1.00 4.32 H new ATOM 0 HG2 MET A 22 11.639 3.270 5.859 1.00 43.25 H new ATOM 0 HG3 MET A 22 11.816 3.177 4.118 1.00 43.25 H new ATOM 0 HE1 MET A 22 11.295 6.605 2.766 1.00 10.23 H new ATOM 0 HE2 MET A 22 10.794 4.906 2.598 1.00 10.23 H new ATOM 0 HE3 MET A 22 9.691 6.090 3.339 1.00 10.23 H new ATOM 324 N ILE A 23 6.984 2.339 6.398 1.00 41.14 N ATOM 325 CA ILE A 23 5.604 1.875 6.385 1.00 1.34 C ATOM 326 C ILE A 23 4.821 2.630 7.460 1.00 15.00 C ATOM 327 O ILE A 23 5.320 2.810 8.573 1.00 54.42 O ATOM 328 CB ILE A 23 5.521 0.351 6.673 1.00 13.13 C ATOM 329 CG1 ILE A 23 6.567 -0.426 5.847 1.00 33.22 C ATOM 330 CG2 ILE A 23 4.112 -0.172 6.393 1.00 15.13 C ATOM 331 CD1 ILE A 23 6.414 -0.288 4.346 1.00 71.43 C ATOM 0 H ILE A 23 7.584 1.827 7.045 1.00 41.14 H new ATOM 0 HA ILE A 23 5.183 2.061 5.397 1.00 1.34 H new ATOM 0 HB ILE A 23 5.743 0.193 7.728 1.00 13.13 H new ATOM 0 HG12 ILE A 23 7.562 -0.083 6.131 1.00 33.22 H new ATOM 0 HG13 ILE A 23 6.507 -1.482 6.110 1.00 33.22 H new ATOM 0 HG21 ILE A 23 4.073 -1.241 6.600 1.00 15.13 H new ATOM 0 HG22 ILE A 23 3.397 0.348 7.031 1.00 15.13 H new ATOM 0 HG23 ILE A 23 3.860 0.004 5.347 1.00 15.13 H new ATOM 0 HD11 ILE A 23 7.191 -0.867 3.846 1.00 71.43 H new ATOM 0 HD12 ILE A 23 5.434 -0.659 4.044 1.00 71.43 H new ATOM 0 HD13 ILE A 23 6.506 0.761 4.066 1.00 71.43 H new ATOM 343 N GLU A 24 3.613 3.075 7.135 1.00 24.32 N ATOM 344 CA GLU A 24 2.802 3.849 8.073 1.00 72.43 C ATOM 345 C GLU A 24 1.567 3.059 8.499 1.00 71.01 C ATOM 346 O GLU A 24 0.981 2.332 7.701 1.00 5.02 O ATOM 347 CB GLU A 24 2.380 5.179 7.435 1.00 13.01 C ATOM 348 CG GLU A 24 1.558 6.079 8.355 1.00 74.11 C ATOM 349 CD GLU A 24 2.327 6.528 9.590 1.00 74.54 C ATOM 350 OE1 GLU A 24 2.390 5.763 10.575 1.00 14.22 O ATOM 351 OE2 GLU A 24 2.864 7.656 9.581 1.00 54.31 O ATOM 0 H GLU A 24 3.172 2.914 6.230 1.00 24.32 H new ATOM 0 HA GLU A 24 3.404 4.054 8.958 1.00 72.43 H new ATOM 0 HB2 GLU A 24 3.273 5.718 7.120 1.00 13.01 H new ATOM 0 HB3 GLU A 24 1.800 4.970 6.536 1.00 13.01 H new ATOM 0 HG2 GLU A 24 1.231 6.957 7.798 1.00 74.11 H new ATOM 0 HG3 GLU A 24 0.659 5.547 8.667 1.00 74.11 H new ATOM 358 N GLN A 25 1.175 3.218 9.755 1.00 54.40 N ATOM 359 CA GLN A 25 -0.008 2.555 10.293 1.00 44.12 C ATOM 360 C GLN A 25 -1.068 3.597 10.649 1.00 31.30 C ATOM 361 O GLN A 25 -0.766 4.604 11.293 1.00 1.13 O ATOM 362 CB GLN A 25 0.349 1.698 11.524 1.00 1.31 C ATOM 363 CG GLN A 25 1.021 2.467 12.662 1.00 43.31 C ATOM 364 CD GLN A 25 2.478 2.801 12.385 1.00 71.35 C ATOM 365 OE1 GLN A 25 3.183 2.054 11.708 1.00 42.30 O ATOM 366 NE2 GLN A 25 2.937 3.927 12.906 1.00 11.23 N ATOM 0 H GLN A 25 1.664 3.807 10.429 1.00 54.40 H new ATOM 0 HA GLN A 25 -0.409 1.887 9.531 1.00 44.12 H new ATOM 0 HB2 GLN A 25 -0.561 1.235 11.904 1.00 1.31 H new ATOM 0 HB3 GLN A 25 1.010 0.891 11.209 1.00 1.31 H new ATOM 0 HG2 GLN A 25 0.471 3.391 12.841 1.00 43.31 H new ATOM 0 HG3 GLN A 25 0.958 1.877 13.576 1.00 43.31 H new ATOM 0 HE21 GLN A 25 2.321 4.520 13.462 1.00 11.23 H new ATOM 0 HE22 GLN A 25 3.907 4.202 12.752 1.00 11.23 H new ATOM 375 N ILE A 26 -2.308 3.361 10.217 1.00 72.53 N ATOM 376 CA ILE A 26 -3.408 4.301 10.448 1.00 73.53 C ATOM 377 C ILE A 26 -4.703 3.561 10.792 1.00 53.41 C ATOM 378 O ILE A 26 -4.736 2.326 10.833 1.00 33.14 O ATOM 379 CB ILE A 26 -3.657 5.210 9.211 1.00 63.12 C ATOM 380 CG1 ILE A 26 -3.882 4.360 7.948 1.00 5.14 C ATOM 381 CG2 ILE A 26 -2.500 6.191 9.008 1.00 71.44 C ATOM 382 CD1 ILE A 26 -4.169 5.172 6.701 1.00 11.22 C ATOM 0 H ILE A 26 -2.577 2.522 9.702 1.00 72.53 H new ATOM 0 HA ILE A 26 -3.113 4.926 11.291 1.00 73.53 H new ATOM 0 HB ILE A 26 -4.560 5.792 9.396 1.00 63.12 H new ATOM 0 HG12 ILE A 26 -2.998 3.746 7.774 1.00 5.14 H new ATOM 0 HG13 ILE A 26 -4.714 3.678 8.125 1.00 5.14 H new ATOM 0 HG21 ILE A 26 -2.700 6.814 8.136 1.00 71.44 H new ATOM 0 HG22 ILE A 26 -2.400 6.823 9.891 1.00 71.44 H new ATOM 0 HG23 ILE A 26 -1.575 5.636 8.852 1.00 71.44 H new ATOM 0 HD11 ILE A 26 -4.316 4.500 5.855 1.00 11.22 H new ATOM 0 HD12 ILE A 26 -5.070 5.766 6.853 1.00 11.22 H new ATOM 0 HD13 ILE A 26 -3.328 5.834 6.497 1.00 11.22 H new ATOM 394 N GLY A 27 -5.758 4.328 11.056 1.00 3.23 N ATOM 395 CA GLY A 27 -7.065 3.758 11.344 1.00 31.30 C ATOM 396 C GLY A 27 -7.974 3.787 10.130 1.00 52.03 C ATOM 397 O GLY A 27 -7.629 4.389 9.111 1.00 21.10 O ATOM 0 H GLY A 27 -5.730 5.347 11.076 1.00 3.23 H new ATOM 0 HA2 GLY A 27 -6.946 2.729 11.684 1.00 31.30 H new ATOM 0 HA3 GLY A 27 -7.531 4.311 12.160 1.00 31.30 H new ATOM 401 N ASP A 28 -9.144 3.156 10.249 1.00 23.03 N ATOM 402 CA ASP A 28 -10.090 3.022 9.131 1.00 72.35 C ATOM 403 C ASP A 28 -10.393 4.374 8.489 1.00 34.30 C ATOM 404 O ASP A 28 -10.175 4.571 7.292 1.00 3.54 O ATOM 405 CB ASP A 28 -11.398 2.378 9.619 1.00 22.31 C ATOM 406 CG ASP A 28 -12.420 2.186 8.501 1.00 10.31 C ATOM 407 OD1 ASP A 28 -13.078 3.176 8.107 1.00 42.44 O ATOM 408 OD2 ASP A 28 -12.570 1.047 8.017 1.00 62.11 O ATOM 0 H ASP A 28 -9.464 2.725 11.116 1.00 23.03 H new ATOM 0 HA ASP A 28 -9.626 2.384 8.379 1.00 72.35 H new ATOM 0 HB2 ASP A 28 -11.175 1.411 10.070 1.00 22.31 H new ATOM 0 HB3 ASP A 28 -11.834 3.001 10.400 1.00 22.31 H new ATOM 413 N SER A 29 -10.871 5.306 9.303 1.00 1.40 N ATOM 414 CA SER A 29 -11.308 6.609 8.815 1.00 51.02 C ATOM 415 C SER A 29 -10.148 7.407 8.217 1.00 0.50 C ATOM 416 O SER A 29 -10.361 8.334 7.431 1.00 13.04 O ATOM 417 CB SER A 29 -11.964 7.390 9.959 1.00 74.23 C ATOM 418 OG SER A 29 -12.984 6.613 10.572 1.00 60.04 O ATOM 0 H SER A 29 -10.967 5.183 10.311 1.00 1.40 H new ATOM 0 HA SER A 29 -12.035 6.450 8.019 1.00 51.02 H new ATOM 0 HB2 SER A 29 -11.212 7.662 10.699 1.00 74.23 H new ATOM 0 HB3 SER A 29 -12.387 8.319 9.577 1.00 74.23 H new ATOM 0 HG SER A 29 -13.392 7.125 11.301 1.00 60.04 H new ATOM 424 N GLU A 30 -8.921 7.038 8.577 1.00 73.03 N ATOM 425 CA GLU A 30 -7.747 7.755 8.103 1.00 43.00 C ATOM 426 C GLU A 30 -7.405 7.366 6.669 1.00 33.23 C ATOM 427 O GLU A 30 -6.862 8.179 5.927 1.00 32.32 O ATOM 428 CB GLU A 30 -6.544 7.515 9.021 1.00 63.32 C ATOM 429 CG GLU A 30 -6.752 8.026 10.440 1.00 73.11 C ATOM 430 CD GLU A 30 -5.466 8.049 11.246 1.00 61.11 C ATOM 431 OE1 GLU A 30 -5.112 7.011 11.842 1.00 40.23 O ATOM 432 OE2 GLU A 30 -4.801 9.105 11.287 1.00 20.52 O ATOM 0 H GLU A 30 -8.717 6.250 9.192 1.00 73.03 H new ATOM 0 HA GLU A 30 -7.985 8.818 8.121 1.00 43.00 H new ATOM 0 HB2 GLU A 30 -6.331 6.447 9.056 1.00 63.32 H new ATOM 0 HB3 GLU A 30 -5.667 8.001 8.593 1.00 63.32 H new ATOM 0 HG2 GLU A 30 -7.171 9.032 10.402 1.00 73.11 H new ATOM 0 HG3 GLU A 30 -7.483 7.395 10.946 1.00 73.11 H new ATOM 439 N PHE A 31 -7.735 6.134 6.276 1.00 43.52 N ATOM 440 CA PHE A 31 -7.450 5.667 4.915 1.00 74.42 C ATOM 441 C PHE A 31 -8.008 6.647 3.885 1.00 42.22 C ATOM 442 O PHE A 31 -7.294 7.081 2.975 1.00 72.14 O ATOM 443 CB PHE A 31 -8.024 4.260 4.678 1.00 63.21 C ATOM 444 CG PHE A 31 -7.243 3.162 5.364 1.00 64.43 C ATOM 445 CD1 PHE A 31 -6.061 2.686 4.811 1.00 41.15 C ATOM 446 CD2 PHE A 31 -7.684 2.612 6.558 1.00 31.41 C ATOM 447 CE1 PHE A 31 -5.338 1.687 5.435 1.00 5.14 C ATOM 448 CE2 PHE A 31 -6.965 1.612 7.186 1.00 61.22 C ATOM 449 CZ PHE A 31 -5.791 1.150 6.624 1.00 55.14 C ATOM 0 H PHE A 31 -8.195 5.447 6.873 1.00 43.52 H new ATOM 0 HA PHE A 31 -6.367 5.615 4.800 1.00 74.42 H new ATOM 0 HB2 PHE A 31 -9.056 4.234 5.029 1.00 63.21 H new ATOM 0 HB3 PHE A 31 -8.047 4.062 3.606 1.00 63.21 H new ATOM 0 HD1 PHE A 31 -5.702 3.102 3.881 1.00 41.15 H new ATOM 0 HD2 PHE A 31 -8.601 2.969 7.003 1.00 31.41 H new ATOM 0 HE1 PHE A 31 -4.420 1.327 4.994 1.00 5.14 H new ATOM 0 HE2 PHE A 31 -7.321 1.192 8.115 1.00 61.22 H new ATOM 0 HZ PHE A 31 -5.228 0.370 7.114 1.00 55.14 H new ATOM 459 N ASP A 32 -9.275 7.017 4.059 1.00 60.44 N ATOM 460 CA ASP A 32 -9.936 7.962 3.163 1.00 14.21 C ATOM 461 C ASP A 32 -9.129 9.255 3.084 1.00 24.40 C ATOM 462 O ASP A 32 -8.712 9.685 2.003 1.00 24.41 O ATOM 463 CB ASP A 32 -11.359 8.278 3.658 1.00 41.11 C ATOM 464 CG ASP A 32 -12.218 7.036 3.845 1.00 30.32 C ATOM 465 OD1 ASP A 32 -12.871 6.599 2.871 1.00 33.21 O ATOM 466 OD2 ASP A 32 -12.249 6.494 4.969 1.00 42.20 O ATOM 0 H ASP A 32 -9.866 6.675 4.816 1.00 60.44 H new ATOM 0 HA ASP A 32 -10.000 7.508 2.174 1.00 14.21 H new ATOM 0 HB2 ASP A 32 -11.297 8.815 4.605 1.00 41.11 H new ATOM 0 HB3 ASP A 32 -11.845 8.944 2.945 1.00 41.11 H new ATOM 471 N ASN A 33 -8.890 9.846 4.254 1.00 4.20 N ATOM 472 CA ASN A 33 -8.172 11.116 4.364 1.00 72.34 C ATOM 473 C ASN A 33 -6.839 11.047 3.646 1.00 12.31 C ATOM 474 O ASN A 33 -6.564 11.809 2.720 1.00 52.31 O ATOM 475 CB ASN A 33 -7.892 11.441 5.836 1.00 63.41 C ATOM 476 CG ASN A 33 -7.499 12.896 6.054 1.00 21.31 C ATOM 477 OD1 ASN A 33 -6.320 13.247 6.005 1.00 53.11 O ATOM 478 ND2 ASN A 33 -8.482 13.750 6.298 1.00 43.13 N ATOM 0 H ASN A 33 -9.187 9.460 5.150 1.00 4.20 H new ATOM 0 HA ASN A 33 -8.799 11.885 3.913 1.00 72.34 H new ATOM 0 HB2 ASN A 33 -8.779 11.216 6.428 1.00 63.41 H new ATOM 0 HB3 ASN A 33 -7.093 10.795 6.201 1.00 63.41 H new ATOM 0 HD21 ASN A 33 -8.274 14.736 6.453 1.00 43.13 H new ATOM 0 HD22 ASN A 33 -9.447 13.421 6.331 1.00 43.13 H new ATOM 485 N LYS A 34 -6.037 10.086 4.073 1.00 44.43 N ATOM 486 CA LYS A 34 -4.646 9.995 3.683 1.00 4.41 C ATOM 487 C LYS A 34 -4.508 9.752 2.183 1.00 14.45 C ATOM 488 O LYS A 34 -3.662 10.362 1.527 1.00 3.12 O ATOM 489 CB LYS A 34 -3.964 8.882 4.493 1.00 15.13 C ATOM 490 CG LYS A 34 -4.060 9.094 6.006 1.00 44.03 C ATOM 491 CD LYS A 34 -3.123 10.196 6.497 1.00 51.45 C ATOM 492 CE LYS A 34 -3.203 10.379 8.009 1.00 40.32 C ATOM 493 NZ LYS A 34 -2.348 11.504 8.471 1.00 15.41 N ATOM 0 H LYS A 34 -6.338 9.343 4.704 1.00 44.43 H new ATOM 0 HA LYS A 34 -4.153 10.943 3.898 1.00 4.41 H new ATOM 0 HB2 LYS A 34 -4.418 7.925 4.237 1.00 15.13 H new ATOM 0 HB3 LYS A 34 -2.914 8.824 4.206 1.00 15.13 H new ATOM 0 HG2 LYS A 34 -5.086 9.348 6.271 1.00 44.03 H new ATOM 0 HG3 LYS A 34 -3.820 8.162 6.517 1.00 44.03 H new ATOM 0 HD2 LYS A 34 -2.098 9.954 6.214 1.00 51.45 H new ATOM 0 HD3 LYS A 34 -3.376 11.134 6.004 1.00 51.45 H new ATOM 0 HE2 LYS A 34 -4.237 10.564 8.299 1.00 40.32 H new ATOM 0 HE3 LYS A 34 -2.893 9.459 8.504 1.00 40.32 H new ATOM 0 HZ1 LYS A 34 -2.427 11.599 9.504 1.00 15.41 H new ATOM 0 HZ2 LYS A 34 -1.358 11.315 8.216 1.00 15.41 H new ATOM 0 HZ3 LYS A 34 -2.660 12.386 8.017 1.00 15.41 H new ATOM 507 N VAL A 35 -5.359 8.882 1.640 1.00 32.24 N ATOM 508 CA VAL A 35 -5.323 8.578 0.213 1.00 50.12 C ATOM 509 C VAL A 35 -5.797 9.778 -0.616 1.00 61.14 C ATOM 510 O VAL A 35 -5.208 10.096 -1.652 1.00 30.43 O ATOM 511 CB VAL A 35 -6.173 7.325 -0.128 1.00 41.11 C ATOM 512 CG1 VAL A 35 -6.203 7.069 -1.636 1.00 30.11 C ATOM 513 CG2 VAL A 35 -5.639 6.095 0.614 1.00 62.32 C ATOM 0 H VAL A 35 -6.076 8.380 2.163 1.00 32.24 H new ATOM 0 HA VAL A 35 -4.286 8.362 -0.043 1.00 50.12 H new ATOM 0 HB VAL A 35 -7.195 7.515 0.201 1.00 41.11 H new ATOM 0 HG11 VAL A 35 -6.806 6.185 -1.843 1.00 30.11 H new ATOM 0 HG12 VAL A 35 -6.637 7.931 -2.143 1.00 30.11 H new ATOM 0 HG13 VAL A 35 -5.188 6.908 -1.998 1.00 30.11 H new ATOM 0 HG21 VAL A 35 -6.247 5.226 0.363 1.00 62.32 H new ATOM 0 HG22 VAL A 35 -4.606 5.912 0.319 1.00 62.32 H new ATOM 0 HG23 VAL A 35 -5.684 6.271 1.689 1.00 62.32 H new ATOM 523 N THR A 36 -6.849 10.456 -0.154 1.00 4.12 N ATOM 524 CA THR A 36 -7.381 11.614 -0.878 1.00 3.24 C ATOM 525 C THR A 36 -6.490 12.846 -0.690 1.00 14.32 C ATOM 526 O THR A 36 -6.550 13.794 -1.476 1.00 3.04 O ATOM 527 CB THR A 36 -8.831 11.946 -0.443 1.00 34.52 C ATOM 528 OG1 THR A 36 -8.886 12.189 0.971 1.00 75.11 O ATOM 529 CG2 THR A 36 -9.788 10.810 -0.806 1.00 40.34 C ATOM 0 H THR A 36 -7.345 10.228 0.708 1.00 4.12 H new ATOM 0 HA THR A 36 -7.392 11.345 -1.934 1.00 3.24 H new ATOM 0 HB THR A 36 -9.141 12.845 -0.976 1.00 34.52 H new ATOM 0 HG1 THR A 36 -8.799 11.340 1.452 1.00 75.11 H new ATOM 0 HG21 THR A 36 -10.798 11.070 -0.489 1.00 40.34 H new ATOM 0 HG22 THR A 36 -9.775 10.654 -1.885 1.00 40.34 H new ATOM 0 HG23 THR A 36 -9.474 9.895 -0.303 1.00 40.34 H new ATOM 537 N SER A 37 -5.660 12.824 0.351 1.00 54.25 N ATOM 538 CA SER A 37 -4.752 13.929 0.639 1.00 4.10 C ATOM 539 C SER A 37 -3.555 13.909 -0.315 1.00 61.23 C ATOM 540 O SER A 37 -2.821 14.892 -0.420 1.00 75.14 O ATOM 541 CB SER A 37 -4.277 13.855 2.099 1.00 11.03 C ATOM 542 OG SER A 37 -3.507 14.993 2.460 1.00 41.41 O ATOM 0 H SER A 37 -5.599 12.049 1.011 1.00 54.25 H new ATOM 0 HA SER A 37 -5.288 14.866 0.491 1.00 4.10 H new ATOM 0 HB2 SER A 37 -5.141 13.776 2.759 1.00 11.03 H new ATOM 0 HB3 SER A 37 -3.682 12.953 2.243 1.00 11.03 H new ATOM 0 HG SER A 37 -3.088 15.372 1.659 1.00 41.41 H new ATOM 548 N CYS A 38 -3.367 12.787 -1.008 1.00 5.32 N ATOM 549 CA CYS A 38 -2.269 12.645 -1.958 1.00 52.34 C ATOM 550 C CYS A 38 -2.524 13.508 -3.195 1.00 24.21 C ATOM 551 O CYS A 38 -3.299 13.136 -4.076 1.00 73.44 O ATOM 552 CB CYS A 38 -2.102 11.176 -2.348 1.00 44.42 C ATOM 553 SG CYS A 38 -1.798 10.087 -0.940 1.00 63.11 S ATOM 0 H CYS A 38 -3.963 11.963 -0.928 1.00 5.32 H new ATOM 0 HA CYS A 38 -1.346 12.986 -1.488 1.00 52.34 H new ATOM 0 HB2 CYS A 38 -3.000 10.842 -2.868 1.00 44.42 H new ATOM 0 HB3 CYS A 38 -1.274 11.087 -3.051 1.00 44.42 H new ATOM 0 HG CYS A 38 -2.663 10.338 -0.003 1.00 63.11 H new ATOM 559 N ASN A 39 -1.863 14.661 -3.246 1.00 22.24 N ATOM 560 CA ASN A 39 -2.123 15.665 -4.276 1.00 21.24 C ATOM 561 C ASN A 39 -1.704 15.192 -5.669 1.00 32.21 C ATOM 562 O ASN A 39 -2.475 15.318 -6.621 1.00 4.01 O ATOM 563 CB ASN A 39 -1.413 16.979 -3.927 1.00 4.12 C ATOM 564 CG ASN A 39 -1.661 18.071 -4.955 1.00 10.01 C ATOM 565 OD1 ASN A 39 -2.667 18.777 -4.898 1.00 21.54 O ATOM 566 ND2 ASN A 39 -0.736 18.231 -5.886 1.00 72.23 N ATOM 0 H ASN A 39 -1.137 14.926 -2.580 1.00 22.24 H new ATOM 0 HA ASN A 39 -3.200 15.829 -4.301 1.00 21.24 H new ATOM 0 HB2 ASN A 39 -1.752 17.322 -2.950 1.00 4.12 H new ATOM 0 HB3 ASN A 39 -0.341 16.798 -3.847 1.00 4.12 H new ATOM 0 HD21 ASN A 39 -0.843 18.961 -6.591 1.00 72.23 H new ATOM 0 HD22 ASN A 39 0.084 17.625 -5.899 1.00 72.23 H new ATOM 573 N ASP A 40 -0.491 14.648 -5.798 1.00 0.41 N ATOM 574 CA ASP A 40 0.021 14.225 -7.106 1.00 22.20 C ATOM 575 C ASP A 40 1.053 13.113 -6.978 1.00 13.10 C ATOM 576 O ASP A 40 1.952 13.172 -6.135 1.00 30.25 O ATOM 577 CB ASP A 40 0.650 15.405 -7.881 1.00 43.01 C ATOM 578 CG ASP A 40 -0.342 16.155 -8.761 1.00 63.23 C ATOM 579 OD1 ASP A 40 -1.037 15.504 -9.569 1.00 31.32 O ATOM 580 OD2 ASP A 40 -0.399 17.401 -8.679 1.00 21.54 O ATOM 0 H ASP A 40 0.151 14.491 -5.021 1.00 0.41 H new ATOM 0 HA ASP A 40 -0.839 13.849 -7.660 1.00 22.20 H new ATOM 0 HB2 ASP A 40 1.091 16.103 -7.169 1.00 43.01 H new ATOM 0 HB3 ASP A 40 1.462 15.029 -8.503 1.00 43.01 H new ATOM 585 N ASN A 41 0.880 12.091 -7.808 1.00 3.43 N ATOM 586 CA ASN A 41 1.905 11.078 -8.068 1.00 12.12 C ATOM 587 C ASN A 41 2.207 10.195 -6.858 1.00 23.30 C ATOM 588 O ASN A 41 3.066 9.318 -6.944 1.00 52.13 O ATOM 589 CB ASN A 41 3.206 11.738 -8.567 1.00 61.54 C ATOM 590 CG ASN A 41 3.036 12.460 -9.896 1.00 64.21 C ATOM 591 OD1 ASN A 41 1.953 12.947 -10.226 1.00 72.44 O ATOM 592 ND2 ASN A 41 4.110 12.541 -10.668 1.00 63.50 N ATOM 0 H ASN A 41 0.015 11.938 -8.327 1.00 3.43 H new ATOM 0 HA ASN A 41 1.496 10.429 -8.842 1.00 12.12 H new ATOM 0 HB2 ASN A 41 3.558 12.447 -7.817 1.00 61.54 H new ATOM 0 HB3 ASN A 41 3.977 10.975 -8.671 1.00 61.54 H new ATOM 0 HD21 ASN A 41 4.056 13.018 -11.568 1.00 63.50 H new ATOM 0 HD22 ASN A 41 4.990 12.126 -10.362 1.00 63.50 H new ATOM 599 N ILE A 42 1.505 10.397 -5.747 1.00 31.51 N ATOM 600 CA ILE A 42 1.735 9.583 -4.559 1.00 21.31 C ATOM 601 C ILE A 42 1.012 8.242 -4.686 1.00 10.43 C ATOM 602 O ILE A 42 -0.197 8.139 -4.455 1.00 60.11 O ATOM 603 CB ILE A 42 1.291 10.299 -3.258 1.00 55.33 C ATOM 604 CG1 ILE A 42 1.995 11.662 -3.118 1.00 30.21 C ATOM 605 CG2 ILE A 42 1.584 9.418 -2.040 1.00 21.42 C ATOM 606 CD1 ILE A 42 3.507 11.576 -3.044 1.00 61.11 C ATOM 0 H ILE A 42 0.781 11.108 -5.645 1.00 31.51 H new ATOM 0 HA ILE A 42 2.810 9.415 -4.491 1.00 21.31 H new ATOM 0 HB ILE A 42 0.217 10.474 -3.312 1.00 55.33 H new ATOM 0 HG12 ILE A 42 1.719 12.290 -3.965 1.00 30.21 H new ATOM 0 HG13 ILE A 42 1.626 12.158 -2.220 1.00 30.21 H new ATOM 0 HG21 ILE A 42 1.267 9.933 -1.133 1.00 21.42 H new ATOM 0 HG22 ILE A 42 1.040 8.478 -2.132 1.00 21.42 H new ATOM 0 HG23 ILE A 42 2.654 9.215 -1.987 1.00 21.42 H new ATOM 0 HD11 ILE A 42 3.924 12.578 -2.946 1.00 61.11 H new ATOM 0 HD12 ILE A 42 3.796 10.977 -2.180 1.00 61.11 H new ATOM 0 HD13 ILE A 42 3.890 11.111 -3.952 1.00 61.11 H new ATOM 618 N LEU A 43 1.760 7.232 -5.109 1.00 64.21 N ATOM 619 CA LEU A 43 1.253 5.873 -5.215 1.00 63.44 C ATOM 620 C LEU A 43 1.284 5.222 -3.831 1.00 51.34 C ATOM 621 O LEU A 43 2.356 4.995 -3.260 1.00 35.41 O ATOM 622 CB LEU A 43 2.105 5.068 -6.220 1.00 63.33 C ATOM 623 CG LEU A 43 1.419 3.860 -6.896 1.00 53.50 C ATOM 624 CD1 LEU A 43 2.376 3.189 -7.880 1.00 72.32 C ATOM 625 CD2 LEU A 43 0.914 2.849 -5.869 1.00 14.31 C ATOM 0 H LEU A 43 2.736 7.333 -5.388 1.00 64.21 H new ATOM 0 HA LEU A 43 0.226 5.887 -5.579 1.00 63.44 H new ATOM 0 HB2 LEU A 43 2.444 5.748 -7.001 1.00 63.33 H new ATOM 0 HB3 LEU A 43 2.994 4.709 -5.702 1.00 63.33 H new ATOM 0 HG LEU A 43 0.553 4.234 -7.442 1.00 53.50 H new ATOM 0 HD11 LEU A 43 1.879 2.340 -8.349 1.00 72.32 H new ATOM 0 HD12 LEU A 43 2.671 3.905 -8.647 1.00 72.32 H new ATOM 0 HD13 LEU A 43 3.262 2.843 -7.347 1.00 72.32 H new ATOM 0 HD21 LEU A 43 0.438 2.014 -6.384 1.00 14.31 H new ATOM 0 HD22 LEU A 43 1.753 2.480 -5.278 1.00 14.31 H new ATOM 0 HD23 LEU A 43 0.190 3.330 -5.211 1.00 14.31 H new ATOM 637 N ILE A 44 0.107 4.944 -3.292 1.00 61.44 N ATOM 638 CA ILE A 44 -0.017 4.342 -1.975 1.00 32.12 C ATOM 639 C ILE A 44 -0.232 2.833 -2.073 1.00 20.10 C ATOM 640 O ILE A 44 -1.041 2.356 -2.871 1.00 41.10 O ATOM 641 CB ILE A 44 -1.184 4.967 -1.170 1.00 12.11 C ATOM 642 CG1 ILE A 44 -0.904 6.451 -0.878 1.00 13.55 C ATOM 643 CG2 ILE A 44 -1.418 4.193 0.128 1.00 62.13 C ATOM 644 CD1 ILE A 44 -1.964 7.115 -0.023 1.00 4.44 C ATOM 0 H ILE A 44 -0.784 5.128 -3.753 1.00 61.44 H new ATOM 0 HA ILE A 44 0.919 4.539 -1.453 1.00 32.12 H new ATOM 0 HB ILE A 44 -2.091 4.903 -1.772 1.00 12.11 H new ATOM 0 HG12 ILE A 44 0.060 6.538 -0.378 1.00 13.55 H new ATOM 0 HG13 ILE A 44 -0.823 6.989 -1.823 1.00 13.55 H new ATOM 0 HG21 ILE A 44 -2.241 4.647 0.679 1.00 62.13 H new ATOM 0 HG22 ILE A 44 -1.665 3.157 -0.105 1.00 62.13 H new ATOM 0 HG23 ILE A 44 -0.514 4.222 0.737 1.00 62.13 H new ATOM 0 HD11 ILE A 44 -1.698 8.159 0.140 1.00 4.44 H new ATOM 0 HD12 ILE A 44 -2.927 7.061 -0.530 1.00 4.44 H new ATOM 0 HD13 ILE A 44 -2.030 6.603 0.937 1.00 4.44 H new ATOM 656 N LEU A 45 0.513 2.091 -1.262 1.00 30.33 N ATOM 657 CA LEU A 45 0.324 0.653 -1.120 1.00 63.24 C ATOM 658 C LEU A 45 -0.144 0.363 0.301 1.00 54.20 C ATOM 659 O LEU A 45 0.492 0.782 1.260 1.00 13.21 O ATOM 660 CB LEU A 45 1.626 -0.121 -1.410 1.00 21.13 C ATOM 661 CG LEU A 45 2.208 0.024 -2.832 1.00 11.43 C ATOM 662 CD1 LEU A 45 2.856 1.394 -3.030 1.00 13.41 C ATOM 663 CD2 LEU A 45 3.208 -1.094 -3.118 1.00 44.33 C ATOM 0 H LEU A 45 1.264 2.469 -0.685 1.00 30.33 H new ATOM 0 HA LEU A 45 -0.422 0.324 -1.844 1.00 63.24 H new ATOM 0 HB2 LEU A 45 2.383 0.204 -0.696 1.00 21.13 H new ATOM 0 HB3 LEU A 45 1.444 -1.179 -1.222 1.00 21.13 H new ATOM 0 HG LEU A 45 1.385 -0.058 -3.541 1.00 11.43 H new ATOM 0 HD11 LEU A 45 3.256 1.464 -4.041 1.00 13.41 H new ATOM 0 HD12 LEU A 45 2.110 2.174 -2.880 1.00 13.41 H new ATOM 0 HD13 LEU A 45 3.665 1.522 -2.310 1.00 13.41 H new ATOM 0 HD21 LEU A 45 3.608 -0.976 -4.125 1.00 44.33 H new ATOM 0 HD22 LEU A 45 4.023 -1.047 -2.396 1.00 44.33 H new ATOM 0 HD23 LEU A 45 2.708 -2.059 -3.038 1.00 44.33 H new ATOM 675 N VAL A 46 -1.269 -0.316 0.431 1.00 10.04 N ATOM 676 CA VAL A 46 -1.820 -0.656 1.739 1.00 42.25 C ATOM 677 C VAL A 46 -1.620 -2.140 2.025 1.00 24.52 C ATOM 678 O VAL A 46 -2.247 -2.991 1.386 1.00 24.34 O ATOM 679 CB VAL A 46 -3.326 -0.298 1.827 1.00 54.44 C ATOM 680 CG1 VAL A 46 -3.901 -0.687 3.191 1.00 73.12 C ATOM 681 CG2 VAL A 46 -3.539 1.191 1.549 1.00 21.54 C ATOM 0 H VAL A 46 -1.826 -0.647 -0.357 1.00 10.04 H new ATOM 0 HA VAL A 46 -1.288 -0.070 2.489 1.00 42.25 H new ATOM 0 HB VAL A 46 -3.858 -0.868 1.065 1.00 54.44 H new ATOM 0 HG11 VAL A 46 -4.959 -0.426 3.228 1.00 73.12 H new ATOM 0 HG12 VAL A 46 -3.787 -1.761 3.341 1.00 73.12 H new ATOM 0 HG13 VAL A 46 -3.368 -0.152 3.977 1.00 73.12 H new ATOM 0 HG21 VAL A 46 -4.602 1.425 1.615 1.00 21.54 H new ATOM 0 HG22 VAL A 46 -2.991 1.780 2.284 1.00 21.54 H new ATOM 0 HG23 VAL A 46 -3.176 1.430 0.549 1.00 21.54 H new ATOM 691 N ASP A 47 -0.736 -2.449 2.974 1.00 63.40 N ATOM 692 CA ASP A 47 -0.408 -3.838 3.294 1.00 14.42 C ATOM 693 C ASP A 47 -1.160 -4.315 4.536 1.00 12.15 C ATOM 694 O ASP A 47 -1.217 -3.623 5.553 1.00 5.43 O ATOM 695 CB ASP A 47 1.112 -4.013 3.507 1.00 43.22 C ATOM 696 CG ASP A 47 1.616 -3.420 4.822 1.00 65.24 C ATOM 697 OD1 ASP A 47 1.822 -2.192 4.884 1.00 64.15 O ATOM 698 OD2 ASP A 47 1.810 -4.184 5.796 1.00 62.53 O ATOM 0 H ASP A 47 -0.236 -1.758 3.533 1.00 63.40 H new ATOM 0 HA ASP A 47 -0.719 -4.446 2.445 1.00 14.42 H new ATOM 0 HB2 ASP A 47 1.355 -5.075 3.480 1.00 43.22 H new ATOM 0 HB3 ASP A 47 1.643 -3.544 2.679 1.00 43.22 H new ATOM 703 N PHE A 48 -1.770 -5.487 4.429 1.00 15.40 N ATOM 704 CA PHE A 48 -2.303 -6.184 5.592 1.00 21.15 C ATOM 705 C PHE A 48 -1.353 -7.321 5.947 1.00 35.32 C ATOM 706 O PHE A 48 -1.267 -8.317 5.220 1.00 61.12 O ATOM 707 CB PHE A 48 -3.716 -6.714 5.313 1.00 75.22 C ATOM 708 CG PHE A 48 -4.731 -5.627 5.056 1.00 40.44 C ATOM 709 CD1 PHE A 48 -5.353 -4.976 6.114 1.00 43.23 C ATOM 710 CD2 PHE A 48 -5.060 -5.253 3.760 1.00 22.10 C ATOM 711 CE1 PHE A 48 -6.282 -3.977 5.882 1.00 3.22 C ATOM 712 CE2 PHE A 48 -5.987 -4.256 3.526 1.00 10.22 C ATOM 713 CZ PHE A 48 -6.597 -3.617 4.586 1.00 31.34 C ATOM 0 H PHE A 48 -1.909 -5.977 3.545 1.00 15.40 H new ATOM 0 HA PHE A 48 -2.380 -5.494 6.432 1.00 21.15 H new ATOM 0 HB2 PHE A 48 -3.682 -7.378 4.450 1.00 75.22 H new ATOM 0 HB3 PHE A 48 -4.045 -7.312 6.163 1.00 75.22 H new ATOM 0 HD1 PHE A 48 -5.109 -5.253 7.129 1.00 43.23 H new ATOM 0 HD2 PHE A 48 -4.586 -5.747 2.925 1.00 22.10 H new ATOM 0 HE1 PHE A 48 -6.760 -3.480 6.713 1.00 3.22 H new ATOM 0 HE2 PHE A 48 -6.235 -3.976 2.513 1.00 10.22 H new ATOM 0 HZ PHE A 48 -7.320 -2.836 4.403 1.00 31.34 H new ATOM 723 N TRP A 49 -0.617 -7.160 7.043 1.00 41.34 N ATOM 724 CA TRP A 49 0.467 -8.079 7.372 1.00 3.42 C ATOM 725 C TRP A 49 -0.082 -9.341 8.037 1.00 70.32 C ATOM 726 O TRP A 49 -0.963 -9.279 8.897 1.00 3.31 O ATOM 727 CB TRP A 49 1.504 -7.388 8.272 1.00 74.42 C ATOM 728 CG TRP A 49 2.878 -7.989 8.173 1.00 1.41 C ATOM 729 CD1 TRP A 49 3.407 -8.978 8.953 1.00 11.14 C ATOM 730 CD2 TRP A 49 3.897 -7.635 7.229 1.00 61.52 C ATOM 731 NE1 TRP A 49 4.694 -9.252 8.558 1.00 11.34 N ATOM 732 CE2 TRP A 49 5.018 -8.440 7.500 1.00 20.34 C ATOM 733 CE3 TRP A 49 3.970 -6.707 6.182 1.00 43.43 C ATOM 734 CZ2 TRP A 49 6.193 -8.350 6.759 1.00 4.23 C ATOM 735 CZ3 TRP A 49 5.137 -6.621 5.448 1.00 65.32 C ATOM 736 CH2 TRP A 49 6.237 -7.436 5.740 1.00 14.21 C ATOM 0 H TRP A 49 -0.751 -6.405 7.716 1.00 41.34 H new ATOM 0 HA TRP A 49 0.964 -8.374 6.448 1.00 3.42 H new ATOM 0 HB2 TRP A 49 1.558 -6.332 8.007 1.00 74.42 H new ATOM 0 HB3 TRP A 49 1.167 -7.440 9.307 1.00 74.42 H new ATOM 0 HD1 TRP A 49 2.889 -9.472 9.762 1.00 11.14 H new ATOM 0 HE1 TRP A 49 5.309 -9.946 8.982 1.00 11.34 H new ATOM 0 HE3 TRP A 49 3.129 -6.070 5.953 1.00 43.43 H new ATOM 0 HZ2 TRP A 49 7.042 -8.980 6.980 1.00 4.23 H new ATOM 0 HZ3 TRP A 49 5.202 -5.913 4.635 1.00 65.32 H new ATOM 0 HH2 TRP A 49 7.137 -7.342 5.151 1.00 14.21 H new ATOM 747 N ALA A 50 0.446 -10.487 7.625 1.00 13.22 N ATOM 748 CA ALA A 50 -0.037 -11.773 8.101 1.00 64.24 C ATOM 749 C ALA A 50 0.471 -12.071 9.511 1.00 61.32 C ATOM 750 O ALA A 50 1.670 -11.967 9.777 1.00 41.40 O ATOM 751 CB ALA A 50 0.390 -12.878 7.141 1.00 21.41 C ATOM 0 H ALA A 50 1.214 -10.549 6.957 1.00 13.22 H new ATOM 0 HA ALA A 50 -1.126 -11.732 8.140 1.00 64.24 H new ATOM 0 HB1 ALA A 50 0.024 -13.838 7.505 1.00 21.41 H new ATOM 0 HB2 ALA A 50 -0.026 -12.682 6.153 1.00 21.41 H new ATOM 0 HB3 ALA A 50 1.478 -12.905 7.078 1.00 21.41 H new ATOM 757 N PRO A 51 -0.438 -12.440 10.437 1.00 73.52 N ATOM 758 CA PRO A 51 -0.051 -12.910 11.773 1.00 34.20 C ATOM 759 C PRO A 51 0.740 -14.213 11.671 1.00 31.13 C ATOM 760 O PRO A 51 1.526 -14.557 12.557 1.00 24.44 O ATOM 761 CB PRO A 51 -1.395 -13.130 12.489 1.00 62.30 C ATOM 762 CG PRO A 51 -2.391 -13.291 11.389 1.00 73.24 C ATOM 763 CD PRO A 51 -1.904 -12.415 10.267 1.00 54.54 C ATOM 0 HA PRO A 51 0.592 -12.208 12.304 1.00 34.20 H new ATOM 0 HB2 PRO A 51 -1.364 -14.013 13.127 1.00 62.30 H new ATOM 0 HB3 PRO A 51 -1.646 -12.284 13.129 1.00 62.30 H new ATOM 0 HG2 PRO A 51 -2.459 -14.332 11.072 1.00 73.24 H new ATOM 0 HG3 PRO A 51 -3.387 -12.991 11.716 1.00 73.24 H new ATOM 0 HD2 PRO A 51 -2.204 -12.803 9.293 1.00 54.54 H new ATOM 0 HD3 PRO A 51 -2.302 -11.403 10.344 1.00 54.54 H new ATOM 771 N TRP A 52 0.512 -14.928 10.575 1.00 34.24 N ATOM 772 CA TRP A 52 1.255 -16.136 10.255 1.00 23.14 C ATOM 773 C TRP A 52 2.506 -15.741 9.473 1.00 72.22 C ATOM 774 O TRP A 52 2.480 -15.651 8.244 1.00 31.12 O ATOM 775 CB TRP A 52 0.379 -17.095 9.430 1.00 51.13 C ATOM 776 CG TRP A 52 -1.057 -17.136 9.886 1.00 74.24 C ATOM 777 CD1 TRP A 52 -2.150 -16.699 9.190 1.00 13.02 C ATOM 778 CD2 TRP A 52 -1.552 -17.618 11.144 1.00 21.52 C ATOM 779 NE1 TRP A 52 -3.290 -16.889 9.932 1.00 1.15 N ATOM 780 CE2 TRP A 52 -2.951 -17.451 11.133 1.00 14.42 C ATOM 781 CE3 TRP A 52 -0.950 -18.180 12.272 1.00 52.20 C ATOM 782 CZ2 TRP A 52 -3.753 -17.822 12.208 1.00 30.01 C ATOM 783 CZ3 TRP A 52 -1.746 -18.546 13.339 1.00 34.13 C ATOM 784 CH2 TRP A 52 -3.135 -18.367 13.300 1.00 22.14 C ATOM 0 H TRP A 52 -0.196 -14.683 9.883 1.00 34.24 H new ATOM 0 HA TRP A 52 1.544 -16.652 11.171 1.00 23.14 H new ATOM 0 HB2 TRP A 52 0.411 -16.795 8.383 1.00 51.13 H new ATOM 0 HB3 TRP A 52 0.799 -18.099 9.487 1.00 51.13 H new ATOM 0 HD1 TRP A 52 -2.121 -16.267 8.201 1.00 13.02 H new ATOM 0 HE1 TRP A 52 -4.236 -16.650 9.636 1.00 1.15 H new ATOM 0 HE3 TRP A 52 0.119 -18.326 12.309 1.00 52.20 H new ATOM 0 HZ2 TRP A 52 -4.824 -17.685 12.181 1.00 30.01 H new ATOM 0 HZ3 TRP A 52 -1.291 -18.977 14.218 1.00 34.13 H new ATOM 0 HH2 TRP A 52 -3.730 -18.666 14.150 1.00 22.14 H new ATOM 795 N CYS A 53 3.580 -15.459 10.195 1.00 1.22 N ATOM 796 CA CYS A 53 4.780 -14.890 9.596 1.00 23.24 C ATOM 797 C CYS A 53 5.595 -15.941 8.846 1.00 5.33 C ATOM 798 O CYS A 53 5.680 -17.100 9.260 1.00 74.43 O ATOM 799 CB CYS A 53 5.644 -14.224 10.670 1.00 32.43 C ATOM 800 SG CYS A 53 7.164 -13.447 10.028 1.00 4.33 S ATOM 0 H CYS A 53 3.646 -15.615 11.201 1.00 1.22 H new ATOM 0 HA CYS A 53 4.460 -14.140 8.872 1.00 23.24 H new ATOM 0 HB2 CYS A 53 5.050 -13.466 11.181 1.00 32.43 H new ATOM 0 HB3 CYS A 53 5.918 -14.971 11.415 1.00 32.43 H new ATOM 805 N GLY A 54 6.195 -15.513 7.740 1.00 72.15 N ATOM 806 CA GLY A 54 7.044 -16.379 6.943 1.00 61.42 C ATOM 807 C GLY A 54 8.061 -15.574 6.152 1.00 71.32 C ATOM 808 O GLY A 54 9.206 -15.430 6.579 1.00 71.05 O ATOM 0 H GLY A 54 6.105 -14.564 7.377 1.00 72.15 H new ATOM 0 HA2 GLY A 54 7.561 -17.085 7.593 1.00 61.42 H new ATOM 0 HA3 GLY A 54 6.430 -16.966 6.260 1.00 61.42 H new ATOM 812 N PRO A 55 7.659 -14.999 5.003 1.00 34.15 N ATOM 813 CA PRO A 55 8.551 -14.186 4.164 1.00 35.52 C ATOM 814 C PRO A 55 8.697 -12.750 4.685 1.00 65.03 C ATOM 815 O PRO A 55 9.162 -11.860 3.965 1.00 71.14 O ATOM 816 CB PRO A 55 7.844 -14.209 2.806 1.00 61.04 C ATOM 817 CG PRO A 55 6.392 -14.300 3.146 1.00 10.34 C ATOM 818 CD PRO A 55 6.302 -15.109 4.419 1.00 1.15 C ATOM 0 HA PRO A 55 9.570 -14.571 4.139 1.00 35.52 H new ATOM 0 HB2 PRO A 55 8.062 -13.310 2.229 1.00 61.04 H new ATOM 0 HB3 PRO A 55 8.166 -15.059 2.205 1.00 61.04 H new ATOM 0 HG2 PRO A 55 5.963 -13.308 3.285 1.00 10.34 H new ATOM 0 HG3 PRO A 55 5.834 -14.779 2.341 1.00 10.34 H new ATOM 0 HD2 PRO A 55 5.543 -14.712 5.093 1.00 1.15 H new ATOM 0 HD3 PRO A 55 6.037 -16.147 4.216 1.00 1.15 H new ATOM 826 N CYS A 56 8.311 -12.539 5.945 1.00 54.04 N ATOM 827 CA CYS A 56 8.355 -11.215 6.567 1.00 24.45 C ATOM 828 C CYS A 56 9.756 -10.621 6.469 1.00 73.45 C ATOM 829 O CYS A 56 9.936 -9.488 6.024 1.00 11.11 O ATOM 830 CB CYS A 56 7.951 -11.309 8.044 1.00 3.01 C ATOM 831 SG CYS A 56 6.557 -12.437 8.373 1.00 32.24 S ATOM 0 H CYS A 56 7.962 -13.275 6.559 1.00 54.04 H new ATOM 0 HA CYS A 56 7.655 -10.570 6.037 1.00 24.45 H new ATOM 0 HB2 CYS A 56 8.813 -11.638 8.624 1.00 3.01 H new ATOM 0 HB3 CYS A 56 7.688 -10.313 8.400 1.00 3.01 H new ATOM 836 N ARG A 57 10.738 -11.437 6.840 1.00 22.25 N ATOM 837 CA ARG A 57 12.132 -11.012 6.939 1.00 20.40 C ATOM 838 C ARG A 57 12.609 -10.375 5.634 1.00 74.51 C ATOM 839 O ARG A 57 13.414 -9.446 5.644 1.00 33.45 O ATOM 840 CB ARG A 57 13.000 -12.228 7.288 1.00 61.43 C ATOM 841 CG ARG A 57 14.460 -11.901 7.581 1.00 54.32 C ATOM 842 CD ARG A 57 15.261 -13.162 7.879 1.00 40.43 C ATOM 843 NE ARG A 57 16.634 -12.863 8.284 1.00 73.20 N ATOM 844 CZ ARG A 57 17.574 -13.790 8.468 1.00 54.44 C ATOM 845 NH1 ARG A 57 17.308 -15.071 8.232 1.00 31.23 N ATOM 846 NH2 ARG A 57 18.785 -13.432 8.870 1.00 53.15 N ATOM 0 H ARG A 57 10.589 -12.417 7.082 1.00 22.25 H new ATOM 0 HA ARG A 57 12.218 -10.259 7.723 1.00 20.40 H new ATOM 0 HB2 ARG A 57 12.571 -12.727 8.157 1.00 61.43 H new ATOM 0 HB3 ARG A 57 12.959 -12.937 6.461 1.00 61.43 H new ATOM 0 HG2 ARG A 57 14.897 -11.383 6.727 1.00 54.32 H new ATOM 0 HG3 ARG A 57 14.519 -11.221 8.431 1.00 54.32 H new ATOM 0 HD2 ARG A 57 14.766 -13.726 8.669 1.00 40.43 H new ATOM 0 HD3 ARG A 57 15.276 -13.798 6.994 1.00 40.43 H new ATOM 0 HE ARG A 57 16.888 -11.887 8.435 1.00 73.20 H new ATOM 0 HH11 ARG A 57 16.381 -15.348 7.909 1.00 31.23 H new ATOM 0 HH12 ARG A 57 18.031 -15.777 8.374 1.00 31.23 H new ATOM 0 HH21 ARG A 57 18.997 -12.448 9.038 1.00 53.15 H new ATOM 0 HH22 ARG A 57 19.506 -14.140 9.011 1.00 53.15 H new ATOM 860 N SER A 58 12.133 -10.909 4.518 1.00 71.22 N ATOM 861 CA SER A 58 12.439 -10.367 3.202 1.00 33.24 C ATOM 862 C SER A 58 11.648 -9.077 2.924 1.00 24.32 C ATOM 863 O SER A 58 12.227 -8.008 2.687 1.00 75.44 O ATOM 864 CB SER A 58 12.133 -11.422 2.135 1.00 65.33 C ATOM 865 OG SER A 58 12.786 -12.643 2.436 1.00 31.52 O ATOM 0 H SER A 58 11.525 -11.728 4.499 1.00 71.22 H new ATOM 0 HA SER A 58 13.498 -10.112 3.172 1.00 33.24 H new ATOM 0 HB2 SER A 58 11.057 -11.585 2.075 1.00 65.33 H new ATOM 0 HB3 SER A 58 12.456 -11.062 1.158 1.00 65.33 H new ATOM 0 HG SER A 58 12.577 -13.305 1.744 1.00 31.52 H new ATOM 871 N LEU A 59 10.319 -9.183 2.965 1.00 54.44 N ATOM 872 CA LEU A 59 9.446 -8.098 2.509 1.00 32.24 C ATOM 873 C LEU A 59 9.586 -6.833 3.353 1.00 21.34 C ATOM 874 O LEU A 59 9.389 -5.737 2.838 1.00 72.25 O ATOM 875 CB LEU A 59 7.972 -8.553 2.436 1.00 1.54 C ATOM 876 CG LEU A 59 7.586 -9.340 1.170 1.00 11.22 C ATOM 877 CD1 LEU A 59 7.771 -8.486 -0.081 1.00 73.54 C ATOM 878 CD2 LEU A 59 8.385 -10.638 1.062 1.00 13.04 C ATOM 0 H LEU A 59 9.824 -10.006 3.308 1.00 54.44 H new ATOM 0 HA LEU A 59 9.775 -7.843 1.502 1.00 32.24 H new ATOM 0 HB2 LEU A 59 7.757 -9.171 3.307 1.00 1.54 H new ATOM 0 HB3 LEU A 59 7.334 -7.672 2.505 1.00 1.54 H new ATOM 0 HG LEU A 59 6.531 -9.601 1.251 1.00 11.22 H new ATOM 0 HD11 LEU A 59 7.492 -9.065 -0.961 1.00 73.54 H new ATOM 0 HD12 LEU A 59 7.139 -7.600 -0.014 1.00 73.54 H new ATOM 0 HD13 LEU A 59 8.815 -8.182 -0.163 1.00 73.54 H new ATOM 0 HD21 LEU A 59 8.091 -11.172 0.159 1.00 13.04 H new ATOM 0 HD22 LEU A 59 9.449 -10.407 1.017 1.00 13.04 H new ATOM 0 HD23 LEU A 59 8.185 -11.262 1.933 1.00 13.04 H new ATOM 890 N GLU A 60 9.930 -6.966 4.633 1.00 2.45 N ATOM 891 CA GLU A 60 10.114 -5.785 5.482 1.00 10.12 C ATOM 892 C GLU A 60 11.178 -4.842 4.873 1.00 14.41 C ATOM 893 O GLU A 60 10.846 -3.719 4.461 1.00 4.53 O ATOM 894 CB GLU A 60 10.469 -6.183 6.930 1.00 4.24 C ATOM 895 CG GLU A 60 9.346 -6.894 7.676 1.00 5.23 C ATOM 896 CD GLU A 60 9.784 -7.404 9.043 1.00 51.55 C ATOM 897 OE1 GLU A 60 9.900 -6.587 9.980 1.00 40.35 O ATOM 898 OE2 GLU A 60 10.032 -8.624 9.183 1.00 41.53 O ATOM 0 H GLU A 60 10.085 -7.860 5.100 1.00 2.45 H new ATOM 0 HA GLU A 60 9.169 -5.244 5.523 1.00 10.12 H new ATOM 0 HB2 GLU A 60 11.345 -6.831 6.912 1.00 4.24 H new ATOM 0 HB3 GLU A 60 10.747 -5.286 7.484 1.00 4.24 H new ATOM 0 HG2 GLU A 60 8.506 -6.210 7.799 1.00 5.23 H new ATOM 0 HG3 GLU A 60 8.990 -7.732 7.077 1.00 5.23 H new ATOM 905 N PRO A 61 12.463 -5.279 4.756 1.00 15.50 N ATOM 906 CA PRO A 61 13.512 -4.442 4.166 1.00 61.11 C ATOM 907 C PRO A 61 13.262 -4.165 2.683 1.00 61.43 C ATOM 908 O PRO A 61 13.552 -3.071 2.212 1.00 33.45 O ATOM 909 CB PRO A 61 14.802 -5.251 4.369 1.00 71.42 C ATOM 910 CG PRO A 61 14.344 -6.659 4.508 1.00 30.30 C ATOM 911 CD PRO A 61 13.000 -6.588 5.183 1.00 73.12 C ATOM 0 HA PRO A 61 13.554 -3.458 4.633 1.00 61.11 H new ATOM 0 HB2 PRO A 61 15.479 -5.136 3.523 1.00 71.42 H new ATOM 0 HB3 PRO A 61 15.342 -4.920 5.256 1.00 71.42 H new ATOM 0 HG2 PRO A 61 14.268 -7.143 3.535 1.00 30.30 H new ATOM 0 HG3 PRO A 61 15.049 -7.243 5.100 1.00 30.30 H new ATOM 0 HD2 PRO A 61 12.352 -7.407 4.872 1.00 73.12 H new ATOM 0 HD3 PRO A 61 13.093 -6.649 6.267 1.00 73.12 H new ATOM 919 N GLN A 62 12.732 -5.150 1.939 1.00 70.11 N ATOM 920 CA GLN A 62 12.435 -4.934 0.519 1.00 31.02 C ATOM 921 C GLN A 62 11.451 -3.776 0.328 1.00 63.23 C ATOM 922 O GLN A 62 11.694 -2.877 -0.481 1.00 41.33 O ATOM 923 CB GLN A 62 11.883 -6.206 -0.138 1.00 64.13 C ATOM 924 CG GLN A 62 12.852 -7.380 -0.109 1.00 5.14 C ATOM 925 CD GLN A 62 12.441 -8.510 -1.039 1.00 1.44 C ATOM 926 OE1 GLN A 62 12.861 -8.560 -2.196 1.00 74.04 O ATOM 927 NE2 GLN A 62 11.607 -9.415 -0.549 1.00 23.44 N ATOM 0 H GLN A 62 12.506 -6.081 2.289 1.00 70.11 H new ATOM 0 HA GLN A 62 13.375 -4.675 0.031 1.00 31.02 H new ATOM 0 HB2 GLN A 62 10.961 -6.495 0.367 1.00 64.13 H new ATOM 0 HB3 GLN A 62 11.623 -5.986 -1.174 1.00 64.13 H new ATOM 0 HG2 GLN A 62 13.846 -7.031 -0.387 1.00 5.14 H new ATOM 0 HG3 GLN A 62 12.922 -7.762 0.910 1.00 5.14 H new ATOM 0 HE21 GLN A 62 11.281 -9.340 0.415 1.00 23.44 H new ATOM 0 HE22 GLN A 62 11.291 -10.187 -1.135 1.00 23.44 H new ATOM 936 N LEU A 63 10.353 -3.787 1.082 1.00 52.35 N ATOM 937 CA LEU A 63 9.337 -2.743 0.966 1.00 70.02 C ATOM 938 C LEU A 63 9.886 -1.402 1.439 1.00 0.20 C ATOM 939 O LEU A 63 9.718 -0.387 0.760 1.00 4.10 O ATOM 940 CB LEU A 63 8.065 -3.106 1.750 1.00 12.14 C ATOM 941 CG LEU A 63 7.267 -4.296 1.186 1.00 33.14 C ATOM 942 CD1 LEU A 63 6.039 -4.579 2.048 1.00 3.21 C ATOM 943 CD2 LEU A 63 6.859 -4.038 -0.265 1.00 32.23 C ATOM 0 H LEU A 63 10.145 -4.504 1.777 1.00 52.35 H new ATOM 0 HA LEU A 63 9.070 -2.660 -0.087 1.00 70.02 H new ATOM 0 HB2 LEU A 63 8.343 -3.331 2.780 1.00 12.14 H new ATOM 0 HB3 LEU A 63 7.413 -2.233 1.779 1.00 12.14 H new ATOM 0 HG LEU A 63 7.910 -5.176 1.207 1.00 33.14 H new ATOM 0 HD11 LEU A 63 5.489 -5.423 1.632 1.00 3.21 H new ATOM 0 HD12 LEU A 63 6.355 -4.816 3.064 1.00 3.21 H new ATOM 0 HD13 LEU A 63 5.395 -3.699 2.064 1.00 3.21 H new ATOM 0 HD21 LEU A 63 6.297 -4.892 -0.642 1.00 32.23 H new ATOM 0 HD22 LEU A 63 6.238 -3.144 -0.315 1.00 32.23 H new ATOM 0 HD23 LEU A 63 7.752 -3.894 -0.874 1.00 32.23 H new ATOM 955 N GLU A 64 10.553 -1.395 2.594 1.00 12.32 N ATOM 956 CA GLU A 64 11.140 -0.159 3.103 1.00 15.44 C ATOM 957 C GLU A 64 12.224 0.356 2.153 1.00 63.11 C ATOM 958 O GLU A 64 12.423 1.563 2.030 1.00 43.35 O ATOM 959 CB GLU A 64 11.704 -0.341 4.520 1.00 62.23 C ATOM 960 CG GLU A 64 10.638 -0.646 5.571 1.00 65.24 C ATOM 961 CD GLU A 64 11.123 -0.410 6.995 1.00 35.12 C ATOM 962 OE1 GLU A 64 11.857 -1.272 7.530 1.00 41.33 O ATOM 963 OE2 GLU A 64 10.767 0.639 7.582 1.00 23.01 O ATOM 0 H GLU A 64 10.698 -2.215 3.183 1.00 12.32 H new ATOM 0 HA GLU A 64 10.344 0.584 3.158 1.00 15.44 H new ATOM 0 HB2 GLU A 64 12.434 -1.151 4.510 1.00 62.23 H new ATOM 0 HB3 GLU A 64 12.237 0.565 4.808 1.00 62.23 H new ATOM 0 HG2 GLU A 64 9.762 -0.025 5.383 1.00 65.24 H new ATOM 0 HG3 GLU A 64 10.321 -1.684 5.468 1.00 65.24 H new ATOM 970 N LYS A 65 12.896 -0.561 1.461 1.00 35.03 N ATOM 971 CA LYS A 65 13.917 -0.198 0.482 1.00 41.40 C ATOM 972 C LYS A 65 13.281 0.561 -0.674 1.00 70.44 C ATOM 973 O LYS A 65 13.662 1.700 -0.981 1.00 11.22 O ATOM 974 CB LYS A 65 14.612 -1.452 -0.062 1.00 60.43 C ATOM 975 CG LYS A 65 15.505 -1.192 -1.272 1.00 30.13 C ATOM 976 CD LYS A 65 16.782 -0.447 -0.896 1.00 44.40 C ATOM 977 CE LYS A 65 17.689 -0.258 -2.104 1.00 12.35 C ATOM 978 NZ LYS A 65 18.093 -1.559 -2.705 1.00 35.52 N ATOM 0 H LYS A 65 12.751 -1.566 1.561 1.00 35.03 H new ATOM 0 HA LYS A 65 14.655 0.434 0.976 1.00 41.40 H new ATOM 0 HB2 LYS A 65 15.213 -1.895 0.732 1.00 60.43 H new ATOM 0 HB3 LYS A 65 13.853 -2.186 -0.334 1.00 60.43 H new ATOM 0 HG2 LYS A 65 15.765 -2.141 -1.740 1.00 30.13 H new ATOM 0 HG3 LYS A 65 14.952 -0.612 -2.011 1.00 30.13 H new ATOM 0 HD2 LYS A 65 16.527 0.525 -0.474 1.00 44.40 H new ATOM 0 HD3 LYS A 65 17.314 -1.001 -0.122 1.00 44.40 H new ATOM 0 HE2 LYS A 65 17.175 0.344 -2.853 1.00 12.35 H new ATOM 0 HE3 LYS A 65 18.579 0.296 -1.806 1.00 12.35 H new ATOM 0 HZ1 LYS A 65 18.917 -1.415 -3.323 1.00 35.52 H new ATOM 0 HZ2 LYS A 65 18.341 -2.229 -1.949 1.00 35.52 H new ATOM 0 HZ3 LYS A 65 17.304 -1.943 -3.263 1.00 35.52 H new ATOM 992 N LEU A 66 12.302 -0.079 -1.310 1.00 72.41 N ATOM 993 CA LEU A 66 11.619 0.517 -2.445 1.00 22.33 C ATOM 994 C LEU A 66 10.980 1.833 -2.023 1.00 64.51 C ATOM 995 O LEU A 66 10.930 2.790 -2.793 1.00 23.51 O ATOM 996 CB LEU A 66 10.554 -0.432 -3.016 1.00 52.24 C ATOM 997 CG LEU A 66 11.071 -1.783 -3.530 1.00 42.43 C ATOM 998 CD1 LEU A 66 9.962 -2.522 -4.272 1.00 54.43 C ATOM 999 CD2 LEU A 66 12.304 -1.597 -4.417 1.00 65.31 C ATOM 0 H LEU A 66 11.968 -1.009 -1.056 1.00 72.41 H new ATOM 0 HA LEU A 66 12.353 0.704 -3.229 1.00 22.33 H new ATOM 0 HB2 LEU A 66 9.809 -0.620 -2.243 1.00 52.24 H new ATOM 0 HB3 LEU A 66 10.043 0.076 -3.834 1.00 52.24 H new ATOM 0 HG LEU A 66 11.373 -2.388 -2.675 1.00 42.43 H new ATOM 0 HD11 LEU A 66 10.340 -3.479 -4.632 1.00 54.43 H new ATOM 0 HD12 LEU A 66 9.124 -2.694 -3.596 1.00 54.43 H new ATOM 0 HD13 LEU A 66 9.628 -1.922 -5.119 1.00 54.43 H new ATOM 0 HD21 LEU A 66 12.650 -2.569 -4.768 1.00 65.31 H new ATOM 0 HD22 LEU A 66 12.046 -0.973 -5.273 1.00 65.31 H new ATOM 0 HD23 LEU A 66 13.096 -1.116 -3.843 1.00 65.31 H new ATOM 1011 N ALA A 67 10.511 1.869 -0.781 1.00 31.12 N ATOM 1012 CA ALA A 67 9.933 3.073 -0.208 1.00 65.44 C ATOM 1013 C ALA A 67 10.980 4.181 -0.140 1.00 63.31 C ATOM 1014 O ALA A 67 10.740 5.292 -0.588 1.00 51.33 O ATOM 1015 CB ALA A 67 9.362 2.786 1.175 1.00 74.44 C ATOM 0 H ALA A 67 10.522 1.069 -0.149 1.00 31.12 H new ATOM 0 HA ALA A 67 9.118 3.407 -0.850 1.00 65.44 H new ATOM 0 HB1 ALA A 67 8.934 3.699 1.588 1.00 74.44 H new ATOM 0 HB2 ALA A 67 8.586 2.024 1.097 1.00 74.44 H new ATOM 0 HB3 ALA A 67 10.157 2.429 1.830 1.00 74.44 H new ATOM 1021 N GLN A 68 12.152 3.858 0.401 1.00 43.11 N ATOM 1022 CA GLN A 68 13.243 4.828 0.526 1.00 63.53 C ATOM 1023 C GLN A 68 13.666 5.358 -0.845 1.00 42.14 C ATOM 1024 O GLN A 68 14.012 6.532 -0.988 1.00 54.44 O ATOM 1025 CB GLN A 68 14.444 4.192 1.241 1.00 72.03 C ATOM 1026 CG GLN A 68 14.192 3.887 2.716 1.00 32.52 C ATOM 1027 CD GLN A 68 15.341 3.139 3.375 1.00 22.31 C ATOM 1028 OE1 GLN A 68 16.052 2.368 2.727 1.00 34.41 O ATOM 1029 NE2 GLN A 68 15.527 3.353 4.670 1.00 50.32 N ATOM 0 H GLN A 68 12.373 2.930 0.762 1.00 43.11 H new ATOM 0 HA GLN A 68 12.882 5.668 1.120 1.00 63.53 H new ATOM 0 HB2 GLN A 68 14.712 3.268 0.729 1.00 72.03 H new ATOM 0 HB3 GLN A 68 15.300 4.862 1.159 1.00 72.03 H new ATOM 0 HG2 GLN A 68 14.021 4.822 3.250 1.00 32.52 H new ATOM 0 HG3 GLN A 68 13.281 3.296 2.808 1.00 32.52 H new ATOM 0 HE21 GLN A 68 14.918 3.999 5.173 1.00 50.32 H new ATOM 0 HE22 GLN A 68 16.279 2.872 5.164 1.00 50.32 H new ATOM 1038 N GLN A 69 13.625 4.484 -1.846 1.00 13.14 N ATOM 1039 CA GLN A 69 14.014 4.842 -3.211 1.00 25.24 C ATOM 1040 C GLN A 69 12.919 5.657 -3.909 1.00 43.11 C ATOM 1041 O GLN A 69 13.202 6.631 -4.611 1.00 14.25 O ATOM 1042 CB GLN A 69 14.319 3.563 -4.016 1.00 20.00 C ATOM 1043 CG GLN A 69 14.637 3.806 -5.494 1.00 61.22 C ATOM 1044 CD GLN A 69 15.890 4.643 -5.717 1.00 43.40 C ATOM 1045 OE1 GLN A 69 15.982 5.391 -6.692 1.00 53.20 O ATOM 1046 NE2 GLN A 69 16.875 4.507 -4.837 1.00 3.15 N ATOM 0 H GLN A 69 13.324 3.515 -1.739 1.00 13.14 H new ATOM 0 HA GLN A 69 14.909 5.463 -3.160 1.00 25.24 H new ATOM 0 HB2 GLN A 69 15.163 3.051 -3.555 1.00 20.00 H new ATOM 0 HB3 GLN A 69 13.463 2.892 -3.947 1.00 20.00 H new ATOM 0 HG2 GLN A 69 14.758 2.845 -5.994 1.00 61.22 H new ATOM 0 HG3 GLN A 69 13.789 4.305 -5.963 1.00 61.22 H new ATOM 0 HE21 GLN A 69 16.765 3.879 -4.041 1.00 3.15 H new ATOM 0 HE22 GLN A 69 17.742 5.031 -4.957 1.00 3.15 H new ATOM 1055 N TYR A 70 11.673 5.243 -3.713 1.00 25.43 N ATOM 1056 CA TYR A 70 10.528 5.791 -4.446 1.00 21.41 C ATOM 1057 C TYR A 70 9.671 6.738 -3.602 1.00 44.52 C ATOM 1058 O TYR A 70 8.623 7.171 -4.057 1.00 75.43 O ATOM 1059 CB TYR A 70 9.656 4.659 -4.996 1.00 54.21 C ATOM 1060 CG TYR A 70 10.331 3.808 -6.056 1.00 33.03 C ATOM 1061 CD1 TYR A 70 10.883 4.388 -7.194 1.00 34.44 C ATOM 1062 CD2 TYR A 70 10.396 2.425 -5.930 1.00 50.43 C ATOM 1063 CE1 TYR A 70 11.479 3.615 -8.171 1.00 22.20 C ATOM 1064 CE2 TYR A 70 10.994 1.647 -6.900 1.00 21.14 C ATOM 1065 CZ TYR A 70 11.532 2.245 -8.020 1.00 4.13 C ATOM 1066 OH TYR A 70 12.115 1.470 -8.999 1.00 31.31 O ATOM 0 H TYR A 70 11.423 4.517 -3.041 1.00 25.43 H new ATOM 0 HA TYR A 70 10.941 6.377 -5.267 1.00 21.41 H new ATOM 0 HB2 TYR A 70 9.352 4.016 -4.170 1.00 54.21 H new ATOM 0 HB3 TYR A 70 8.747 5.088 -5.416 1.00 54.21 H new ATOM 0 HD1 TYR A 70 10.845 5.460 -7.315 1.00 34.44 H new ATOM 0 HD2 TYR A 70 9.971 1.951 -5.057 1.00 50.43 H new ATOM 0 HE1 TYR A 70 11.902 4.081 -9.049 1.00 22.20 H new ATOM 0 HE2 TYR A 70 11.040 0.574 -6.783 1.00 21.14 H new ATOM 0 HH TYR A 70 11.425 1.149 -9.616 1.00 31.31 H new ATOM 1076 N THR A 71 10.091 7.037 -2.376 1.00 41.23 N ATOM 1077 CA THR A 71 9.244 7.769 -1.419 1.00 33.14 C ATOM 1078 C THR A 71 8.696 9.086 -1.991 1.00 11.01 C ATOM 1079 O THR A 71 7.701 9.615 -1.490 1.00 5.32 O ATOM 1080 CB THR A 71 10.008 8.077 -0.104 1.00 75.32 C ATOM 1081 OG1 THR A 71 9.124 8.674 0.861 1.00 31.34 O ATOM 1082 CG2 THR A 71 11.197 9.003 -0.360 1.00 64.45 C ATOM 0 H THR A 71 11.012 6.787 -2.015 1.00 41.23 H new ATOM 0 HA THR A 71 8.402 7.108 -1.212 1.00 33.14 H new ATOM 0 HB THR A 71 10.386 7.134 0.291 1.00 75.32 H new ATOM 0 HG1 THR A 71 8.706 7.971 1.401 1.00 31.34 H new ATOM 0 HG21 THR A 71 11.713 9.201 0.580 1.00 64.45 H new ATOM 0 HG22 THR A 71 11.885 8.527 -1.059 1.00 64.45 H new ATOM 0 HG23 THR A 71 10.842 9.942 -0.784 1.00 64.45 H new ATOM 1090 N GLU A 72 9.332 9.605 -3.039 1.00 33.25 N ATOM 1091 CA GLU A 72 8.861 10.826 -3.691 1.00 41.55 C ATOM 1092 C GLU A 72 7.483 10.598 -4.327 1.00 35.55 C ATOM 1093 O GLU A 72 6.642 11.498 -4.361 1.00 2.13 O ATOM 1094 CB GLU A 72 9.869 11.281 -4.756 1.00 70.21 C ATOM 1095 CG GLU A 72 11.273 11.525 -4.209 1.00 12.11 C ATOM 1096 CD GLU A 72 12.251 11.979 -5.283 1.00 5.35 C ATOM 1097 OE1 GLU A 72 12.730 11.125 -6.056 1.00 72.12 O ATOM 1098 OE2 GLU A 72 12.534 13.193 -5.369 1.00 25.54 O ATOM 0 H GLU A 72 10.172 9.201 -3.454 1.00 33.25 H new ATOM 0 HA GLU A 72 8.769 11.608 -2.937 1.00 41.55 H new ATOM 0 HB2 GLU A 72 9.921 10.526 -5.540 1.00 70.21 H new ATOM 0 HB3 GLU A 72 9.505 12.198 -5.220 1.00 70.21 H new ATOM 0 HG2 GLU A 72 11.226 12.279 -3.423 1.00 12.11 H new ATOM 0 HG3 GLU A 72 11.644 10.609 -3.750 1.00 12.11 H new ATOM 1105 N ASN A 73 7.264 9.376 -4.814 1.00 72.12 N ATOM 1106 CA ASN A 73 6.016 9.008 -5.492 1.00 75.34 C ATOM 1107 C ASN A 73 5.409 7.719 -4.919 1.00 73.03 C ATOM 1108 O ASN A 73 4.467 7.175 -5.488 1.00 44.44 O ATOM 1109 CB ASN A 73 6.263 8.826 -7.001 1.00 62.45 C ATOM 1110 CG ASN A 73 6.665 10.114 -7.705 1.00 41.45 C ATOM 1111 OD1 ASN A 73 6.247 11.207 -7.320 1.00 13.33 O ATOM 1112 ND2 ASN A 73 7.480 9.996 -8.744 1.00 35.13 N ATOM 0 H ASN A 73 7.941 8.616 -4.751 1.00 72.12 H new ATOM 0 HA ASN A 73 5.308 9.820 -5.326 1.00 75.34 H new ATOM 0 HB2 ASN A 73 7.045 8.081 -7.147 1.00 62.45 H new ATOM 0 HB3 ASN A 73 5.358 8.433 -7.465 1.00 62.45 H new ATOM 0 HD21 ASN A 73 7.781 10.827 -9.253 1.00 35.13 H new ATOM 0 HD22 ASN A 73 7.806 9.074 -9.034 1.00 35.13 H new ATOM 1119 N VAL A 74 5.956 7.217 -3.811 1.00 33.22 N ATOM 1120 CA VAL A 74 5.431 6.004 -3.165 1.00 44.01 C ATOM 1121 C VAL A 74 5.292 6.185 -1.654 1.00 54.01 C ATOM 1122 O VAL A 74 6.125 6.836 -1.018 1.00 62.45 O ATOM 1123 CB VAL A 74 6.336 4.770 -3.448 1.00 74.14 C ATOM 1124 CG1 VAL A 74 5.981 3.586 -2.543 1.00 42.15 C ATOM 1125 CG2 VAL A 74 6.241 4.362 -4.914 1.00 15.54 C ATOM 0 H VAL A 74 6.762 7.628 -3.339 1.00 33.22 H new ATOM 0 HA VAL A 74 4.444 5.829 -3.593 1.00 44.01 H new ATOM 0 HB VAL A 74 7.363 5.060 -3.226 1.00 74.14 H new ATOM 0 HG11 VAL A 74 6.635 2.744 -2.771 1.00 42.15 H new ATOM 0 HG12 VAL A 74 6.111 3.874 -1.500 1.00 42.15 H new ATOM 0 HG13 VAL A 74 4.944 3.296 -2.713 1.00 42.15 H new ATOM 0 HG21 VAL A 74 6.880 3.498 -5.093 1.00 15.54 H new ATOM 0 HG22 VAL A 74 5.209 4.106 -5.154 1.00 15.54 H new ATOM 0 HG23 VAL A 74 6.566 5.190 -5.544 1.00 15.54 H new ATOM 1135 N LYS A 75 4.232 5.604 -1.095 1.00 72.25 N ATOM 1136 CA LYS A 75 4.010 5.593 0.350 1.00 73.21 C ATOM 1137 C LYS A 75 3.203 4.347 0.722 1.00 33.05 C ATOM 1138 O LYS A 75 2.219 4.029 0.056 1.00 2.21 O ATOM 1139 CB LYS A 75 3.257 6.863 0.795 1.00 1.31 C ATOM 1140 CG LYS A 75 3.759 7.457 2.113 1.00 55.43 C ATOM 1141 CD LYS A 75 5.189 7.995 1.992 1.00 63.32 C ATOM 1142 CE LYS A 75 5.287 9.123 0.967 1.00 62.51 C ATOM 1143 NZ LYS A 75 6.671 9.657 0.844 1.00 50.00 N ATOM 0 H LYS A 75 3.505 5.129 -1.629 1.00 72.25 H new ATOM 0 HA LYS A 75 4.973 5.574 0.859 1.00 73.21 H new ATOM 0 HB2 LYS A 75 3.344 7.617 0.013 1.00 1.31 H new ATOM 0 HB3 LYS A 75 2.197 6.628 0.895 1.00 1.31 H new ATOM 0 HG2 LYS A 75 3.094 8.262 2.424 1.00 55.43 H new ATOM 0 HG3 LYS A 75 3.723 6.695 2.891 1.00 55.43 H new ATOM 0 HD2 LYS A 75 5.524 8.357 2.964 1.00 63.32 H new ATOM 0 HD3 LYS A 75 5.859 7.184 1.705 1.00 63.32 H new ATOM 0 HE2 LYS A 75 4.953 8.758 -0.004 1.00 62.51 H new ATOM 0 HE3 LYS A 75 4.613 9.930 1.253 1.00 62.51 H new ATOM 0 HZ1 LYS A 75 6.846 9.944 -0.140 1.00 50.00 H new ATOM 0 HZ2 LYS A 75 6.782 10.480 1.470 1.00 50.00 H new ATOM 0 HZ3 LYS A 75 7.353 8.920 1.116 1.00 50.00 H new ATOM 1157 N ILE A 76 3.619 3.632 1.764 1.00 22.35 N ATOM 1158 CA ILE A 76 2.904 2.430 2.195 1.00 70.42 C ATOM 1159 C ILE A 76 2.167 2.690 3.509 1.00 14.13 C ATOM 1160 O ILE A 76 2.709 3.319 4.422 1.00 52.32 O ATOM 1161 CB ILE A 76 3.842 1.198 2.370 1.00 71.34 C ATOM 1162 CG1 ILE A 76 4.610 0.879 1.070 1.00 22.41 C ATOM 1163 CG2 ILE A 76 3.041 -0.027 2.812 1.00 74.22 C ATOM 1164 CD1 ILE A 76 5.811 1.768 0.819 1.00 74.14 C ATOM 0 H ILE A 76 4.441 3.860 2.323 1.00 22.35 H new ATOM 0 HA ILE A 76 2.193 2.195 1.403 1.00 70.42 H new ATOM 0 HB ILE A 76 4.570 1.450 3.141 1.00 71.34 H new ATOM 0 HG12 ILE A 76 4.942 -0.159 1.104 1.00 22.41 H new ATOM 0 HG13 ILE A 76 3.925 0.967 0.227 1.00 22.41 H new ATOM 0 HG21 ILE A 76 3.712 -0.878 2.929 1.00 74.22 H new ATOM 0 HG22 ILE A 76 2.551 0.182 3.763 1.00 74.22 H new ATOM 0 HG23 ILE A 76 2.288 -0.260 2.059 1.00 74.22 H new ATOM 0 HD11 ILE A 76 6.292 1.475 -0.114 1.00 74.14 H new ATOM 0 HD12 ILE A 76 5.487 2.806 0.750 1.00 74.14 H new ATOM 0 HD13 ILE A 76 6.520 1.663 1.641 1.00 74.14 H new ATOM 1176 N TYR A 77 0.927 2.215 3.585 1.00 20.14 N ATOM 1177 CA TYR A 77 0.100 2.338 4.781 1.00 3.15 C ATOM 1178 C TYR A 77 -0.458 0.973 5.170 1.00 41.14 C ATOM 1179 O TYR A 77 -0.543 0.068 4.340 1.00 22.24 O ATOM 1180 CB TYR A 77 -1.061 3.322 4.550 1.00 62.44 C ATOM 1181 CG TYR A 77 -0.643 4.779 4.448 1.00 2.12 C ATOM 1182 CD1 TYR A 77 -0.158 5.303 3.256 1.00 35.13 C ATOM 1183 CD2 TYR A 77 -0.748 5.633 5.541 1.00 24.33 C ATOM 1184 CE1 TYR A 77 0.211 6.631 3.157 1.00 21.35 C ATOM 1185 CE2 TYR A 77 -0.379 6.961 5.448 1.00 12.24 C ATOM 1186 CZ TYR A 77 0.100 7.455 4.255 1.00 42.25 C ATOM 1187 OH TYR A 77 0.466 8.780 4.159 1.00 0.44 O ATOM 0 H TYR A 77 0.466 1.731 2.815 1.00 20.14 H new ATOM 0 HA TYR A 77 0.725 2.722 5.588 1.00 3.15 H new ATOM 0 HB2 TYR A 77 -1.581 3.042 3.634 1.00 62.44 H new ATOM 0 HB3 TYR A 77 -1.776 3.219 5.367 1.00 62.44 H new ATOM 0 HD1 TYR A 77 -0.068 4.661 2.392 1.00 35.13 H new ATOM 0 HD2 TYR A 77 -1.125 5.251 6.478 1.00 24.33 H new ATOM 0 HE1 TYR A 77 0.585 7.021 2.222 1.00 21.35 H new ATOM 0 HE2 TYR A 77 -0.466 7.609 6.307 1.00 12.24 H new ATOM 0 HH TYR A 77 0.325 9.222 5.022 1.00 0.44 H new ATOM 1197 N LYS A 78 -0.835 0.835 6.430 1.00 73.25 N ATOM 1198 CA LYS A 78 -1.424 -0.397 6.937 1.00 72.21 C ATOM 1199 C LYS A 78 -2.341 -0.081 8.111 1.00 4.21 C ATOM 1200 O LYS A 78 -2.391 1.062 8.573 1.00 23.50 O ATOM 1201 CB LYS A 78 -0.319 -1.377 7.357 1.00 73.32 C ATOM 1202 CG LYS A 78 0.603 -0.856 8.458 1.00 53.04 C ATOM 1203 CD LYS A 78 1.814 -1.766 8.691 1.00 45.10 C ATOM 1204 CE LYS A 78 1.431 -3.135 9.255 1.00 43.23 C ATOM 1205 NZ LYS A 78 0.662 -3.967 8.291 1.00 12.44 N ATOM 0 H LYS A 78 -0.743 1.571 7.130 1.00 73.25 H new ATOM 0 HA LYS A 78 -2.014 -0.866 6.150 1.00 72.21 H new ATOM 0 HB2 LYS A 78 -0.782 -2.304 7.696 1.00 73.32 H new ATOM 0 HB3 LYS A 78 0.283 -1.623 6.482 1.00 73.32 H new ATOM 0 HG2 LYS A 78 0.949 0.143 8.194 1.00 53.04 H new ATOM 0 HG3 LYS A 78 0.039 -0.763 9.386 1.00 53.04 H new ATOM 0 HD2 LYS A 78 2.346 -1.903 7.749 1.00 45.10 H new ATOM 0 HD3 LYS A 78 2.504 -1.276 9.378 1.00 45.10 H new ATOM 0 HE2 LYS A 78 2.336 -3.668 9.545 1.00 43.23 H new ATOM 0 HE3 LYS A 78 0.839 -2.996 10.160 1.00 43.23 H new ATOM 0 HZ1 LYS A 78 0.534 -4.922 8.682 1.00 12.44 H new ATOM 0 HZ2 LYS A 78 -0.268 -3.534 8.123 1.00 12.44 H new ATOM 0 HZ3 LYS A 78 1.182 -4.028 7.393 1.00 12.44 H new ATOM 1219 N ILE A 79 -3.068 -1.084 8.588 1.00 14.15 N ATOM 1220 CA ILE A 79 -3.996 -0.892 9.695 1.00 53.54 C ATOM 1221 C ILE A 79 -3.227 -0.879 11.019 1.00 5.44 C ATOM 1222 O ILE A 79 -2.242 -1.600 11.181 1.00 10.11 O ATOM 1223 CB ILE A 79 -5.116 -1.985 9.695 1.00 11.43 C ATOM 1224 CG1 ILE A 79 -6.510 -1.332 9.680 1.00 3.14 C ATOM 1225 CG2 ILE A 79 -4.985 -2.955 10.873 1.00 42.31 C ATOM 1226 CD1 ILE A 79 -6.767 -0.380 10.833 1.00 24.31 C ATOM 0 H ILE A 79 -3.033 -2.037 8.226 1.00 14.15 H new ATOM 0 HA ILE A 79 -4.492 0.071 9.572 1.00 53.54 H new ATOM 0 HB ILE A 79 -4.991 -2.571 8.785 1.00 11.43 H new ATOM 0 HG12 ILE A 79 -6.634 -0.790 8.742 1.00 3.14 H new ATOM 0 HG13 ILE A 79 -7.266 -2.117 9.697 1.00 3.14 H new ATOM 0 HG21 ILE A 79 -5.786 -3.693 10.827 1.00 42.31 H new ATOM 0 HG22 ILE A 79 -4.021 -3.461 10.822 1.00 42.31 H new ATOM 0 HG23 ILE A 79 -5.055 -2.402 11.809 1.00 42.31 H new ATOM 0 HD11 ILE A 79 -7.771 0.035 10.745 1.00 24.31 H new ATOM 0 HD12 ILE A 79 -6.678 -0.919 11.776 1.00 24.31 H new ATOM 0 HD13 ILE A 79 -6.037 0.429 10.807 1.00 24.31 H new ATOM 1238 N ASN A 80 -3.653 -0.030 11.948 1.00 32.22 N ATOM 1239 CA ASN A 80 -2.988 0.081 13.249 1.00 52.44 C ATOM 1240 C ASN A 80 -3.800 -0.624 14.337 1.00 44.41 C ATOM 1241 O ASN A 80 -3.327 -0.809 15.461 1.00 14.44 O ATOM 1242 CB ASN A 80 -2.775 1.560 13.614 1.00 21.14 C ATOM 1243 CG ASN A 80 -1.843 1.750 14.803 1.00 70.54 C ATOM 1244 OD1 ASN A 80 -0.949 0.940 15.043 1.00 70.05 O ATOM 1245 ND2 ASN A 80 -2.027 2.836 15.539 1.00 74.13 N ATOM 0 H ASN A 80 -4.453 0.591 11.829 1.00 32.22 H new ATOM 0 HA ASN A 80 -2.016 -0.407 13.179 1.00 52.44 H new ATOM 0 HB2 ASN A 80 -2.367 2.086 12.751 1.00 21.14 H new ATOM 0 HB3 ASN A 80 -3.739 2.016 13.839 1.00 21.14 H new ATOM 0 HD21 ASN A 80 -1.417 3.022 16.335 1.00 74.13 H new ATOM 0 HD22 ASN A 80 -2.779 3.486 15.310 1.00 74.13 H new ATOM 1252 N ILE A 81 -5.022 -1.028 13.995 1.00 43.44 N ATOM 1253 CA ILE A 81 -5.895 -1.714 14.942 1.00 25.11 C ATOM 1254 C ILE A 81 -6.899 -2.612 14.205 1.00 34.14 C ATOM 1255 O ILE A 81 -7.719 -2.142 13.413 1.00 33.03 O ATOM 1256 CB ILE A 81 -6.637 -0.708 15.872 1.00 5.45 C ATOM 1257 CG1 ILE A 81 -7.485 -1.457 16.920 1.00 71.04 C ATOM 1258 CG2 ILE A 81 -7.497 0.268 15.064 1.00 24.20 C ATOM 1259 CD1 ILE A 81 -6.675 -2.345 17.850 1.00 52.15 C ATOM 0 H ILE A 81 -5.429 -0.892 13.070 1.00 43.44 H new ATOM 0 HA ILE A 81 -5.265 -2.342 15.572 1.00 25.11 H new ATOM 0 HB ILE A 81 -5.884 -0.122 16.399 1.00 5.45 H new ATOM 0 HG12 ILE A 81 -8.034 -0.728 17.517 1.00 71.04 H new ATOM 0 HG13 ILE A 81 -8.225 -2.068 16.404 1.00 71.04 H new ATOM 0 HG21 ILE A 81 -8.001 0.956 15.742 1.00 24.20 H new ATOM 0 HG22 ILE A 81 -6.862 0.832 14.380 1.00 24.20 H new ATOM 0 HG23 ILE A 81 -8.240 -0.289 14.493 1.00 24.20 H new ATOM 0 HD11 ILE A 81 -7.343 -2.837 18.557 1.00 52.15 H new ATOM 0 HD12 ILE A 81 -6.147 -3.099 17.265 1.00 52.15 H new ATOM 0 HD13 ILE A 81 -5.953 -1.738 18.395 1.00 52.15 H new ATOM 1271 N GLU A 82 -6.819 -3.913 14.483 1.00 52.41 N ATOM 1272 CA GLU A 82 -7.652 -4.922 13.819 1.00 4.31 C ATOM 1273 C GLU A 82 -9.146 -4.655 14.024 1.00 62.51 C ATOM 1274 O GLU A 82 -9.986 -5.185 13.295 1.00 60.22 O ATOM 1275 CB GLU A 82 -7.296 -6.323 14.332 1.00 73.32 C ATOM 1276 CG GLU A 82 -7.610 -6.537 15.808 1.00 62.31 C ATOM 1277 CD GLU A 82 -7.188 -7.907 16.310 1.00 65.45 C ATOM 1278 OE1 GLU A 82 -7.508 -8.916 15.640 1.00 41.12 O ATOM 1279 OE2 GLU A 82 -6.530 -7.981 17.370 1.00 50.42 O ATOM 0 H GLU A 82 -6.176 -4.300 15.174 1.00 52.41 H new ATOM 0 HA GLU A 82 -7.448 -4.862 12.750 1.00 4.31 H new ATOM 0 HB2 GLU A 82 -7.838 -7.063 13.744 1.00 73.32 H new ATOM 0 HB3 GLU A 82 -6.233 -6.501 14.167 1.00 73.32 H new ATOM 0 HG2 GLU A 82 -7.107 -5.769 16.396 1.00 62.31 H new ATOM 0 HG3 GLU A 82 -8.681 -6.411 15.968 1.00 62.31 H new ATOM 1286 N ASP A 83 -9.473 -3.844 15.027 1.00 74.15 N ATOM 1287 CA ASP A 83 -10.867 -3.530 15.347 1.00 52.51 C ATOM 1288 C ASP A 83 -11.496 -2.628 14.289 1.00 1.41 C ATOM 1289 O ASP A 83 -12.701 -2.374 14.326 1.00 32.53 O ATOM 1290 CB ASP A 83 -10.970 -2.852 16.719 1.00 64.41 C ATOM 1291 CG ASP A 83 -10.739 -3.811 17.873 1.00 43.31 C ATOM 1292 OD1 ASP A 83 -9.568 -4.054 18.230 1.00 73.00 O ATOM 1293 OD2 ASP A 83 -11.732 -4.319 18.432 1.00 11.23 O ATOM 0 H ASP A 83 -8.791 -3.390 15.635 1.00 74.15 H new ATOM 0 HA ASP A 83 -11.412 -4.474 15.367 1.00 52.51 H new ATOM 0 HB2 ASP A 83 -10.241 -2.043 16.774 1.00 64.41 H new ATOM 0 HB3 ASP A 83 -11.956 -2.400 16.822 1.00 64.41 H new ATOM 1298 N ASN A 84 -10.680 -2.139 13.358 1.00 63.01 N ATOM 1299 CA ASN A 84 -11.171 -1.318 12.254 1.00 64.54 C ATOM 1300 C ASN A 84 -10.733 -1.905 10.919 1.00 54.11 C ATOM 1301 O ASN A 84 -9.763 -1.452 10.314 1.00 41.23 O ATOM 1302 CB ASN A 84 -10.692 0.138 12.392 1.00 53.30 C ATOM 1303 CG ASN A 84 -11.568 0.968 13.322 1.00 74.43 C ATOM 1304 OD1 ASN A 84 -11.072 1.812 14.069 1.00 41.42 O ATOM 1305 ND2 ASN A 84 -12.879 0.767 13.254 1.00 12.40 N ATOM 0 H ASN A 84 -9.673 -2.298 13.346 1.00 63.01 H new ATOM 0 HA ASN A 84 -12.260 -1.316 12.290 1.00 64.54 H new ATOM 0 HB2 ASN A 84 -9.668 0.144 12.765 1.00 53.30 H new ATOM 0 HB3 ASN A 84 -10.675 0.604 11.407 1.00 53.30 H new ATOM 0 HD21 ASN A 84 -13.511 1.321 13.832 1.00 12.40 H new ATOM 0 HD22 ASN A 84 -13.254 0.059 12.623 1.00 12.40 H new ATOM 1312 N GLN A 85 -11.441 -2.945 10.492 1.00 24.24 N ATOM 1313 CA GLN A 85 -11.195 -3.592 9.201 1.00 41.15 C ATOM 1314 C GLN A 85 -12.391 -3.393 8.280 1.00 13.13 C ATOM 1315 O GLN A 85 -12.478 -4.001 7.208 1.00 23.34 O ATOM 1316 CB GLN A 85 -10.921 -5.093 9.389 1.00 72.24 C ATOM 1317 CG GLN A 85 -9.603 -5.406 10.094 1.00 32.31 C ATOM 1318 CD GLN A 85 -8.375 -5.050 9.266 1.00 40.52 C ATOM 1319 OE1 GLN A 85 -8.388 -4.121 8.461 1.00 33.14 O ATOM 1320 NE2 GLN A 85 -7.304 -5.799 9.454 1.00 54.43 N ATOM 0 H GLN A 85 -12.201 -3.365 11.027 1.00 24.24 H new ATOM 0 HA GLN A 85 -10.316 -3.134 8.749 1.00 41.15 H new ATOM 0 HB2 GLN A 85 -11.739 -5.531 9.961 1.00 72.24 H new ATOM 0 HB3 GLN A 85 -10.921 -5.576 8.412 1.00 72.24 H new ATOM 0 HG2 GLN A 85 -9.566 -4.862 11.038 1.00 32.31 H new ATOM 0 HG3 GLN A 85 -9.573 -6.468 10.337 1.00 32.31 H new ATOM 0 HE21 GLN A 85 -7.328 -6.562 10.130 1.00 54.43 H new ATOM 0 HE22 GLN A 85 -6.453 -5.614 8.923 1.00 54.43 H new ATOM 1329 N ASP A 86 -13.304 -2.523 8.706 1.00 53.14 N ATOM 1330 CA ASP A 86 -14.515 -2.219 7.948 1.00 12.12 C ATOM 1331 C ASP A 86 -14.158 -1.909 6.496 1.00 42.22 C ATOM 1332 O ASP A 86 -14.769 -2.437 5.565 1.00 30.43 O ATOM 1333 CB ASP A 86 -15.254 -1.032 8.591 1.00 64.04 C ATOM 1334 CG ASP A 86 -15.610 -1.281 10.054 1.00 10.31 C ATOM 1335 OD1 ASP A 86 -14.685 -1.325 10.901 1.00 10.22 O ATOM 1336 OD2 ASP A 86 -16.809 -1.459 10.366 1.00 72.52 O ATOM 0 H ASP A 86 -13.225 -2.010 9.584 1.00 53.14 H new ATOM 0 HA ASP A 86 -15.175 -3.087 7.964 1.00 12.12 H new ATOM 0 HB2 ASP A 86 -14.631 -0.140 8.520 1.00 64.04 H new ATOM 0 HB3 ASP A 86 -16.166 -0.830 8.029 1.00 64.04 H new ATOM 1341 N VAL A 87 -13.132 -1.080 6.322 1.00 44.25 N ATOM 1342 CA VAL A 87 -12.620 -0.721 5.002 1.00 71.33 C ATOM 1343 C VAL A 87 -12.252 -1.969 4.190 1.00 32.42 C ATOM 1344 O VAL A 87 -12.542 -2.053 2.992 1.00 50.43 O ATOM 1345 CB VAL A 87 -11.386 0.215 5.126 1.00 24.42 C ATOM 1346 CG1 VAL A 87 -10.232 -0.472 5.857 1.00 12.41 C ATOM 1347 CG2 VAL A 87 -10.939 0.718 3.756 1.00 11.43 C ATOM 0 H VAL A 87 -12.632 -0.638 7.093 1.00 44.25 H new ATOM 0 HA VAL A 87 -13.413 -0.191 4.475 1.00 71.33 H new ATOM 0 HB VAL A 87 -11.688 1.076 5.722 1.00 24.42 H new ATOM 0 HG11 VAL A 87 -9.386 0.212 5.925 1.00 12.41 H new ATOM 0 HG12 VAL A 87 -10.553 -0.754 6.860 1.00 12.41 H new ATOM 0 HG13 VAL A 87 -9.933 -1.365 5.308 1.00 12.41 H new ATOM 0 HG21 VAL A 87 -10.074 1.371 3.873 1.00 11.43 H new ATOM 0 HG22 VAL A 87 -10.671 -0.131 3.126 1.00 11.43 H new ATOM 0 HG23 VAL A 87 -11.752 1.274 3.289 1.00 11.43 H new ATOM 1357 N ALA A 88 -11.661 -2.962 4.857 1.00 24.34 N ATOM 1358 CA ALA A 88 -11.233 -4.190 4.191 1.00 23.23 C ATOM 1359 C ALA A 88 -12.453 -4.977 3.729 1.00 32.31 C ATOM 1360 O ALA A 88 -12.432 -5.640 2.689 1.00 24.24 O ATOM 1361 CB ALA A 88 -10.364 -5.031 5.121 1.00 71.31 C ATOM 0 H ALA A 88 -11.468 -2.938 5.858 1.00 24.34 H new ATOM 0 HA ALA A 88 -10.633 -3.930 3.319 1.00 23.23 H new ATOM 0 HB1 ALA A 88 -10.055 -5.941 4.607 1.00 71.31 H new ATOM 0 HB2 ALA A 88 -9.481 -4.460 5.409 1.00 71.31 H new ATOM 0 HB3 ALA A 88 -10.933 -5.293 6.013 1.00 71.31 H new ATOM 1367 N THR A 89 -13.520 -4.876 4.511 1.00 14.41 N ATOM 1368 CA THR A 89 -14.783 -5.527 4.192 1.00 74.41 C ATOM 1369 C THR A 89 -15.479 -4.793 3.041 1.00 41.21 C ATOM 1370 O THR A 89 -16.162 -5.406 2.217 1.00 2.02 O ATOM 1371 CB THR A 89 -15.707 -5.562 5.433 1.00 61.23 C ATOM 1372 OG1 THR A 89 -14.983 -6.082 6.561 1.00 62.25 O ATOM 1373 CG2 THR A 89 -16.944 -6.423 5.185 1.00 73.40 C ATOM 0 H THR A 89 -13.534 -4.343 5.380 1.00 14.41 H new ATOM 0 HA THR A 89 -14.574 -6.552 3.886 1.00 74.41 H new ATOM 0 HB THR A 89 -16.035 -4.543 5.636 1.00 61.23 H new ATOM 0 HG1 THR A 89 -15.570 -6.101 7.346 1.00 62.25 H new ATOM 0 HG21 THR A 89 -17.571 -6.425 6.077 1.00 73.40 H new ATOM 0 HG22 THR A 89 -17.508 -6.016 4.346 1.00 73.40 H new ATOM 0 HG23 THR A 89 -16.637 -7.443 4.955 1.00 73.40 H new ATOM 1381 N GLN A 90 -15.277 -3.477 2.983 1.00 70.40 N ATOM 1382 CA GLN A 90 -15.865 -2.645 1.936 1.00 51.35 C ATOM 1383 C GLN A 90 -15.200 -2.912 0.585 1.00 60.54 C ATOM 1384 O GLN A 90 -15.871 -2.937 -0.451 1.00 35.31 O ATOM 1385 CB GLN A 90 -15.745 -1.157 2.302 1.00 74.24 C ATOM 1386 CG GLN A 90 -16.460 -0.772 3.598 1.00 11.31 C ATOM 1387 CD GLN A 90 -17.978 -0.897 3.520 1.00 13.40 C ATOM 1388 OE1 GLN A 90 -18.518 -1.718 2.778 1.00 31.15 O ATOM 1389 NE2 GLN A 90 -18.675 -0.085 4.296 1.00 4.30 N ATOM 0 H GLN A 90 -14.707 -2.962 3.654 1.00 70.40 H new ATOM 0 HA GLN A 90 -16.921 -2.903 1.854 1.00 51.35 H new ATOM 0 HB2 GLN A 90 -14.690 -0.900 2.392 1.00 74.24 H new ATOM 0 HB3 GLN A 90 -16.150 -0.559 1.485 1.00 74.24 H new ATOM 0 HG2 GLN A 90 -16.093 -1.404 4.407 1.00 11.31 H new ATOM 0 HG3 GLN A 90 -16.201 0.255 3.854 1.00 11.31 H new ATOM 0 HE21 GLN A 90 -18.194 0.583 4.898 1.00 4.30 H new ATOM 0 HE22 GLN A 90 -19.694 -0.126 4.293 1.00 4.30 H new ATOM 1398 N TYR A 91 -13.881 -3.096 0.592 1.00 65.31 N ATOM 1399 CA TYR A 91 -13.152 -3.420 -0.636 1.00 65.24 C ATOM 1400 C TYR A 91 -13.212 -4.918 -0.934 1.00 43.30 C ATOM 1401 O TYR A 91 -13.057 -5.334 -2.082 1.00 71.42 O ATOM 1402 CB TYR A 91 -11.697 -2.939 -0.555 1.00 44.23 C ATOM 1403 CG TYR A 91 -11.552 -1.429 -0.670 1.00 54.42 C ATOM 1404 CD1 TYR A 91 -11.630 -0.798 -1.909 1.00 24.12 C ATOM 1405 CD2 TYR A 91 -11.343 -0.635 0.452 1.00 73.41 C ATOM 1406 CE1 TYR A 91 -11.502 0.574 -2.024 1.00 44.22 C ATOM 1407 CE2 TYR A 91 -11.214 0.737 0.342 1.00 2.45 C ATOM 1408 CZ TYR A 91 -11.294 1.336 -0.895 1.00 54.21 C ATOM 1409 OH TYR A 91 -11.163 2.701 -1.002 1.00 53.04 O ATOM 0 H TYR A 91 -13.298 -3.027 1.426 1.00 65.31 H new ATOM 0 HA TYR A 91 -13.637 -2.894 -1.458 1.00 65.24 H new ATOM 0 HB2 TYR A 91 -11.266 -3.267 0.391 1.00 44.23 H new ATOM 0 HB3 TYR A 91 -11.121 -3.413 -1.349 1.00 44.23 H new ATOM 0 HD1 TYR A 91 -11.794 -1.391 -2.797 1.00 24.12 H new ATOM 0 HD2 TYR A 91 -11.280 -1.098 1.426 1.00 73.41 H new ATOM 0 HE1 TYR A 91 -11.565 1.046 -2.993 1.00 44.22 H new ATOM 0 HE2 TYR A 91 -11.051 1.338 1.225 1.00 2.45 H new ATOM 0 HH TYR A 91 -11.023 3.087 -0.112 1.00 53.04 H new ATOM 1419 N GLY A 92 -13.434 -5.721 0.106 1.00 10.23 N ATOM 1420 CA GLY A 92 -13.602 -7.156 -0.072 1.00 54.21 C ATOM 1421 C GLY A 92 -12.278 -7.892 -0.166 1.00 41.22 C ATOM 1422 O GLY A 92 -12.006 -8.574 -1.156 1.00 74.44 O ATOM 0 H GLY A 92 -13.501 -5.402 1.072 1.00 10.23 H new ATOM 0 HA2 GLY A 92 -14.178 -7.557 0.762 1.00 54.21 H new ATOM 0 HA3 GLY A 92 -14.181 -7.341 -0.977 1.00 54.21 H new ATOM 1426 N VAL A 93 -11.451 -7.753 0.866 1.00 62.12 N ATOM 1427 CA VAL A 93 -10.158 -8.432 0.917 1.00 75.42 C ATOM 1428 C VAL A 93 -10.348 -9.935 1.154 1.00 32.00 C ATOM 1429 O VAL A 93 -10.986 -10.339 2.128 1.00 11.30 O ATOM 1430 CB VAL A 93 -9.252 -7.833 2.024 1.00 62.33 C ATOM 1431 CG1 VAL A 93 -7.911 -8.561 2.092 1.00 2.34 C ATOM 1432 CG2 VAL A 93 -9.043 -6.336 1.792 1.00 34.41 C ATOM 0 H VAL A 93 -11.653 -7.174 1.681 1.00 62.12 H new ATOM 0 HA VAL A 93 -9.668 -8.283 -0.045 1.00 75.42 H new ATOM 0 HB VAL A 93 -9.754 -7.968 2.982 1.00 62.33 H new ATOM 0 HG11 VAL A 93 -7.297 -8.120 2.877 1.00 2.34 H new ATOM 0 HG12 VAL A 93 -8.080 -9.615 2.313 1.00 2.34 H new ATOM 0 HG13 VAL A 93 -7.398 -8.469 1.135 1.00 2.34 H new ATOM 0 HG21 VAL A 93 -8.405 -5.932 2.578 1.00 34.41 H new ATOM 0 HG22 VAL A 93 -8.568 -6.181 0.823 1.00 34.41 H new ATOM 0 HG23 VAL A 93 -10.007 -5.827 1.809 1.00 34.41 H new ATOM 1442 N SER A 94 -9.796 -10.748 0.249 1.00 61.11 N ATOM 1443 CA SER A 94 -9.954 -12.204 0.298 1.00 2.42 C ATOM 1444 C SER A 94 -9.192 -12.822 1.476 1.00 64.51 C ATOM 1445 O SER A 94 -9.792 -13.428 2.371 1.00 53.12 O ATOM 1446 CB SER A 94 -9.462 -12.825 -1.018 1.00 0.11 C ATOM 1447 OG SER A 94 -10.084 -12.220 -2.138 1.00 0.15 O ATOM 0 H SER A 94 -9.231 -10.418 -0.533 1.00 61.11 H new ATOM 0 HA SER A 94 -11.014 -12.417 0.437 1.00 2.42 H new ATOM 0 HB2 SER A 94 -8.381 -12.711 -1.094 1.00 0.11 H new ATOM 0 HB3 SER A 94 -9.670 -13.895 -1.018 1.00 0.11 H new ATOM 0 HG SER A 94 -9.750 -12.634 -2.961 1.00 0.15 H new ATOM 1453 N ALA A 95 -7.869 -12.672 1.465 1.00 63.23 N ATOM 1454 CA ALA A 95 -7.006 -13.272 2.479 1.00 53.22 C ATOM 1455 C ALA A 95 -6.348 -12.187 3.320 1.00 63.22 C ATOM 1456 O ALA A 95 -6.295 -11.031 2.904 1.00 12.33 O ATOM 1457 CB ALA A 95 -5.946 -14.152 1.818 1.00 24.10 C ATOM 0 H ALA A 95 -7.368 -12.135 0.757 1.00 63.23 H new ATOM 0 HA ALA A 95 -7.615 -13.896 3.133 1.00 53.22 H new ATOM 0 HB1 ALA A 95 -5.309 -14.593 2.585 1.00 24.10 H new ATOM 0 HB2 ALA A 95 -6.433 -14.945 1.251 1.00 24.10 H new ATOM 0 HB3 ALA A 95 -5.338 -13.546 1.146 1.00 24.10 H new ATOM 1463 N ILE A 96 -5.843 -12.564 4.492 1.00 62.32 N ATOM 1464 CA ILE A 96 -5.208 -11.606 5.394 1.00 11.23 C ATOM 1465 C ILE A 96 -3.969 -10.965 4.742 1.00 34.11 C ATOM 1466 O ILE A 96 -3.888 -9.740 4.654 1.00 2.32 O ATOM 1467 CB ILE A 96 -4.824 -12.252 6.758 1.00 44.40 C ATOM 1468 CG1 ILE A 96 -6.059 -12.891 7.423 1.00 72.10 C ATOM 1469 CG2 ILE A 96 -4.185 -11.218 7.689 1.00 65.42 C ATOM 1470 CD1 ILE A 96 -7.175 -11.911 7.732 1.00 72.34 C ATOM 0 H ILE A 96 -5.861 -13.523 4.839 1.00 62.32 H new ATOM 0 HA ILE A 96 -5.943 -10.826 5.591 1.00 11.23 H new ATOM 0 HB ILE A 96 -4.092 -13.037 6.568 1.00 44.40 H new ATOM 0 HG12 ILE A 96 -6.447 -13.672 6.769 1.00 72.10 H new ATOM 0 HG13 ILE A 96 -5.749 -13.376 8.349 1.00 72.10 H new ATOM 0 HG21 ILE A 96 -3.925 -11.692 8.636 1.00 65.42 H new ATOM 0 HG22 ILE A 96 -3.284 -10.818 7.224 1.00 65.42 H new ATOM 0 HG23 ILE A 96 -4.890 -10.407 7.871 1.00 65.42 H new ATOM 0 HD11 ILE A 96 -8.006 -12.441 8.198 1.00 72.34 H new ATOM 0 HD12 ILE A 96 -6.807 -11.143 8.412 1.00 72.34 H new ATOM 0 HD13 ILE A 96 -7.515 -11.444 6.808 1.00 72.34 H new ATOM 1482 N PRO A 97 -2.990 -11.767 4.255 1.00 34.43 N ATOM 1483 CA PRO A 97 -1.781 -11.219 3.629 1.00 33.35 C ATOM 1484 C PRO A 97 -2.052 -10.676 2.223 1.00 23.21 C ATOM 1485 O PRO A 97 -1.799 -11.351 1.219 1.00 14.43 O ATOM 1486 CB PRO A 97 -0.829 -12.422 3.584 1.00 23.12 C ATOM 1487 CG PRO A 97 -1.733 -13.607 3.487 1.00 53.32 C ATOM 1488 CD PRO A 97 -2.973 -13.250 4.269 1.00 33.43 C ATOM 0 HA PRO A 97 -1.378 -10.369 4.180 1.00 33.35 H new ATOM 0 HB2 PRO A 97 -0.156 -12.364 2.729 1.00 23.12 H new ATOM 0 HB3 PRO A 97 -0.206 -12.469 4.477 1.00 23.12 H new ATOM 0 HG2 PRO A 97 -1.977 -13.827 2.448 1.00 53.32 H new ATOM 0 HG3 PRO A 97 -1.255 -14.497 3.898 1.00 53.32 H new ATOM 0 HD2 PRO A 97 -3.869 -13.664 3.807 1.00 33.43 H new ATOM 0 HD3 PRO A 97 -2.930 -13.639 5.286 1.00 33.43 H new ATOM 1496 N THR A 98 -2.586 -9.463 2.155 1.00 1.40 N ATOM 1497 CA THR A 98 -2.897 -8.831 0.878 1.00 41.43 C ATOM 1498 C THR A 98 -2.479 -7.359 0.878 1.00 14.13 C ATOM 1499 O THR A 98 -2.679 -6.644 1.866 1.00 50.20 O ATOM 1500 CB THR A 98 -4.407 -8.940 0.555 1.00 22.23 C ATOM 1501 OG1 THR A 98 -4.832 -10.306 0.652 1.00 34.53 O ATOM 1502 CG2 THR A 98 -4.716 -8.415 -0.844 1.00 11.04 C ATOM 0 H THR A 98 -2.813 -8.895 2.971 1.00 1.40 H new ATOM 0 HA THR A 98 -2.333 -9.359 0.109 1.00 41.43 H new ATOM 0 HB THR A 98 -4.946 -8.331 1.280 1.00 22.23 H new ATOM 0 HG1 THR A 98 -5.333 -10.434 1.484 1.00 34.53 H new ATOM 0 HG21 THR A 98 -5.785 -8.506 -1.039 1.00 11.04 H new ATOM 0 HG22 THR A 98 -4.422 -7.368 -0.913 1.00 11.04 H new ATOM 0 HG23 THR A 98 -4.162 -8.996 -1.581 1.00 11.04 H new ATOM 1510 N ILE A 99 -1.875 -6.922 -0.226 1.00 21.42 N ATOM 1511 CA ILE A 99 -1.475 -5.530 -0.408 1.00 53.25 C ATOM 1512 C ILE A 99 -2.347 -4.881 -1.483 1.00 30.31 C ATOM 1513 O ILE A 99 -2.304 -5.280 -2.647 1.00 34.20 O ATOM 1514 CB ILE A 99 0.023 -5.394 -0.825 1.00 52.40 C ATOM 1515 CG1 ILE A 99 0.974 -5.860 0.297 1.00 42.31 C ATOM 1516 CG2 ILE A 99 0.345 -3.951 -1.219 1.00 53.44 C ATOM 1517 CD1 ILE A 99 0.976 -7.357 0.542 1.00 13.41 C ATOM 0 H ILE A 99 -1.650 -7.524 -1.018 1.00 21.42 H new ATOM 0 HA ILE A 99 -1.606 -5.029 0.551 1.00 53.25 H new ATOM 0 HB ILE A 99 0.179 -6.042 -1.687 1.00 52.40 H new ATOM 0 HG12 ILE A 99 1.988 -5.544 0.051 1.00 42.31 H new ATOM 0 HG13 ILE A 99 0.698 -5.354 1.222 1.00 42.31 H new ATOM 0 HG21 ILE A 99 1.394 -3.878 -1.506 1.00 53.44 H new ATOM 0 HG22 ILE A 99 -0.283 -3.654 -2.059 1.00 53.44 H new ATOM 0 HG23 ILE A 99 0.154 -3.291 -0.373 1.00 53.44 H new ATOM 0 HD11 ILE A 99 1.672 -7.593 1.347 1.00 13.41 H new ATOM 0 HD12 ILE A 99 -0.026 -7.681 0.823 1.00 13.41 H new ATOM 0 HD13 ILE A 99 1.283 -7.874 -0.367 1.00 13.41 H new ATOM 1529 N LEU A 100 -3.151 -3.902 -1.090 1.00 64.34 N ATOM 1530 CA LEU A 100 -3.977 -3.155 -2.038 1.00 22.45 C ATOM 1531 C LEU A 100 -3.203 -1.938 -2.536 1.00 31.10 C ATOM 1532 O LEU A 100 -2.306 -1.452 -1.853 1.00 33.15 O ATOM 1533 CB LEU A 100 -5.303 -2.722 -1.389 1.00 54.53 C ATOM 1534 CG LEU A 100 -6.320 -3.853 -1.114 1.00 51.55 C ATOM 1535 CD1 LEU A 100 -5.794 -4.835 -0.067 1.00 65.42 C ATOM 1536 CD2 LEU A 100 -7.663 -3.273 -0.676 1.00 50.10 C ATOM 0 H LEU A 100 -3.251 -3.604 -0.120 1.00 64.34 H new ATOM 0 HA LEU A 100 -4.216 -3.801 -2.883 1.00 22.45 H new ATOM 0 HB2 LEU A 100 -5.078 -2.224 -0.446 1.00 54.53 H new ATOM 0 HB3 LEU A 100 -5.777 -1.982 -2.034 1.00 54.53 H new ATOM 0 HG LEU A 100 -6.464 -4.403 -2.044 1.00 51.55 H new ATOM 0 HD11 LEU A 100 -6.534 -5.617 0.102 1.00 65.42 H new ATOM 0 HD12 LEU A 100 -4.866 -5.284 -0.423 1.00 65.42 H new ATOM 0 HD13 LEU A 100 -5.606 -4.305 0.867 1.00 65.42 H new ATOM 0 HD21 LEU A 100 -8.366 -4.085 -0.487 1.00 50.10 H new ATOM 0 HD22 LEU A 100 -7.528 -2.691 0.235 1.00 50.10 H new ATOM 0 HD23 LEU A 100 -8.055 -2.629 -1.463 1.00 50.10 H new ATOM 1548 N MET A 101 -3.529 -1.461 -3.729 1.00 51.32 N ATOM 1549 CA MET A 101 -2.858 -0.295 -4.301 1.00 4.53 C ATOM 1550 C MET A 101 -3.871 0.826 -4.546 1.00 54.01 C ATOM 1551 O MET A 101 -5.021 0.559 -4.895 1.00 4.41 O ATOM 1552 CB MET A 101 -2.159 -0.690 -5.618 1.00 34.44 C ATOM 1553 CG MET A 101 -1.211 -1.878 -5.488 1.00 45.11 C ATOM 1554 SD MET A 101 -0.182 -2.116 -6.950 1.00 31.20 S ATOM 1555 CE MET A 101 0.797 -0.617 -6.931 1.00 60.31 C ATOM 0 H MET A 101 -4.255 -1.862 -4.323 1.00 51.32 H new ATOM 0 HA MET A 101 -2.106 0.067 -3.600 1.00 4.53 H new ATOM 0 HB2 MET A 101 -2.919 -0.925 -6.364 1.00 34.44 H new ATOM 0 HB3 MET A 101 -1.600 0.168 -5.992 1.00 34.44 H new ATOM 0 HG2 MET A 101 -0.570 -1.732 -4.618 1.00 45.11 H new ATOM 0 HG3 MET A 101 -1.792 -2.782 -5.307 1.00 45.11 H new ATOM 0 HE1 MET A 101 1.832 -0.856 -7.174 1.00 60.31 H new ATOM 0 HE2 MET A 101 0.403 0.084 -7.667 1.00 60.31 H new ATOM 0 HE3 MET A 101 0.752 -0.166 -5.940 1.00 60.31 H new ATOM 1565 N PHE A 102 -3.436 2.074 -4.356 1.00 5.43 N ATOM 1566 CA PHE A 102 -4.262 3.263 -4.621 1.00 3.31 C ATOM 1567 C PHE A 102 -3.357 4.417 -5.052 1.00 4.12 C ATOM 1568 O PHE A 102 -2.202 4.471 -4.633 1.00 25.01 O ATOM 1569 CB PHE A 102 -5.055 3.678 -3.365 1.00 23.12 C ATOM 1570 CG PHE A 102 -6.017 2.630 -2.863 1.00 24.33 C ATOM 1571 CD1 PHE A 102 -7.248 2.452 -3.476 1.00 54.22 C ATOM 1572 CD2 PHE A 102 -5.688 1.821 -1.782 1.00 51.22 C ATOM 1573 CE1 PHE A 102 -8.133 1.493 -3.021 1.00 41.01 C ATOM 1574 CE2 PHE A 102 -6.571 0.860 -1.325 1.00 5.14 C ATOM 1575 CZ PHE A 102 -7.794 0.695 -1.945 1.00 52.43 C ATOM 0 H PHE A 102 -2.500 2.293 -4.014 1.00 5.43 H new ATOM 0 HA PHE A 102 -4.972 3.023 -5.412 1.00 3.31 H new ATOM 0 HB2 PHE A 102 -4.351 3.919 -2.569 1.00 23.12 H new ATOM 0 HB3 PHE A 102 -5.611 4.589 -3.586 1.00 23.12 H new ATOM 0 HD1 PHE A 102 -7.518 3.070 -4.319 1.00 54.22 H new ATOM 0 HD2 PHE A 102 -4.733 1.944 -1.294 1.00 51.22 H new ATOM 0 HE1 PHE A 102 -9.090 1.367 -3.506 1.00 41.01 H new ATOM 0 HE2 PHE A 102 -6.304 0.238 -0.483 1.00 5.14 H new ATOM 0 HZ PHE A 102 -8.484 -0.056 -1.590 1.00 52.43 H new ATOM 1585 N LYS A 103 -3.848 5.335 -5.891 1.00 71.43 N ATOM 1586 CA LYS A 103 -3.040 6.507 -6.254 1.00 72.40 C ATOM 1587 C LYS A 103 -3.904 7.747 -6.442 1.00 23.53 C ATOM 1588 O LYS A 103 -4.711 7.803 -7.363 1.00 13.32 O ATOM 1589 CB LYS A 103 -2.222 6.245 -7.533 1.00 63.42 C ATOM 1590 CG LYS A 103 -1.276 7.392 -7.899 1.00 51.04 C ATOM 1591 CD LYS A 103 -0.397 7.067 -9.107 1.00 13.25 C ATOM 1592 CE LYS A 103 -1.213 6.886 -10.384 1.00 14.32 C ATOM 1593 NZ LYS A 103 -0.343 6.652 -11.569 1.00 65.44 N ATOM 0 H LYS A 103 -4.772 5.295 -6.321 1.00 71.43 H new ATOM 0 HA LYS A 103 -2.353 6.687 -5.427 1.00 72.40 H new ATOM 0 HB2 LYS A 103 -1.640 5.333 -7.402 1.00 63.42 H new ATOM 0 HB3 LYS A 103 -2.907 6.070 -8.363 1.00 63.42 H new ATOM 0 HG2 LYS A 103 -1.861 8.287 -8.110 1.00 51.04 H new ATOM 0 HG3 LYS A 103 -0.641 7.621 -7.043 1.00 51.04 H new ATOM 0 HD2 LYS A 103 0.328 7.868 -9.252 1.00 13.25 H new ATOM 0 HD3 LYS A 103 0.169 6.157 -8.908 1.00 13.25 H new ATOM 0 HE2 LYS A 103 -1.896 6.045 -10.263 1.00 14.32 H new ATOM 0 HE3 LYS A 103 -1.825 7.772 -10.552 1.00 14.32 H new ATOM 0 HZ1 LYS A 103 -0.871 6.117 -12.287 1.00 65.44 H new ATOM 0 HZ2 LYS A 103 -0.046 7.566 -11.967 1.00 65.44 H new ATOM 0 HZ3 LYS A 103 0.497 6.110 -11.282 1.00 65.44 H new ATOM 1607 N ASN A 104 -3.730 8.738 -5.561 1.00 23.55 N ATOM 1608 CA ASN A 104 -4.433 10.026 -5.680 1.00 43.25 C ATOM 1609 C ASN A 104 -5.954 9.818 -5.649 1.00 43.55 C ATOM 1610 O ASN A 104 -6.730 10.628 -6.155 1.00 42.54 O ATOM 1611 CB ASN A 104 -3.977 10.740 -6.976 1.00 62.22 C ATOM 1612 CG ASN A 104 -4.620 12.103 -7.204 1.00 42.11 C ATOM 1613 OD1 ASN A 104 -5.626 12.225 -7.906 1.00 11.24 O ATOM 1614 ND2 ASN A 104 -4.046 13.136 -6.617 1.00 15.52 N ATOM 0 H ASN A 104 -3.108 8.675 -4.755 1.00 23.55 H new ATOM 0 HA ASN A 104 -4.181 10.660 -4.830 1.00 43.25 H new ATOM 0 HB2 ASN A 104 -2.894 10.863 -6.947 1.00 62.22 H new ATOM 0 HB3 ASN A 104 -4.202 10.099 -7.828 1.00 62.22 H new ATOM 0 HD21 ASN A 104 -4.434 14.072 -6.738 1.00 15.52 H new ATOM 0 HD22 ASN A 104 -3.214 12.999 -6.043 1.00 15.52 H new ATOM 1621 N GLY A 105 -6.376 8.726 -5.019 1.00 30.41 N ATOM 1622 CA GLY A 105 -7.790 8.390 -4.965 1.00 75.35 C ATOM 1623 C GLY A 105 -8.225 7.577 -6.172 1.00 55.21 C ATOM 1624 O GLY A 105 -9.290 6.954 -6.163 1.00 52.13 O ATOM 0 H GLY A 105 -5.762 8.065 -4.543 1.00 30.41 H new ATOM 0 HA2 GLY A 105 -7.995 7.827 -4.055 1.00 75.35 H new ATOM 0 HA3 GLY A 105 -8.379 9.306 -4.912 1.00 75.35 H new ATOM 1628 N LYS A 106 -7.394 7.589 -7.211 1.00 75.10 N ATOM 1629 CA LYS A 106 -7.638 6.816 -8.421 1.00 1.05 C ATOM 1630 C LYS A 106 -7.389 5.339 -8.114 1.00 35.43 C ATOM 1631 O LYS A 106 -6.401 4.992 -7.437 1.00 43.21 O ATOM 1632 CB LYS A 106 -6.728 7.337 -9.559 1.00 23.12 C ATOM 1633 CG LYS A 106 -7.036 6.786 -10.956 1.00 30.13 C ATOM 1634 CD LYS A 106 -6.379 5.433 -11.214 1.00 62.21 C ATOM 1635 CE LYS A 106 -6.693 4.898 -12.608 1.00 41.50 C ATOM 1636 NZ LYS A 106 -8.153 4.724 -12.824 1.00 13.32 N ATOM 0 H LYS A 106 -6.533 8.136 -7.236 1.00 75.10 H new ATOM 0 HA LYS A 106 -8.670 6.927 -8.754 1.00 1.05 H new ATOM 0 HB2 LYS A 106 -6.803 8.424 -9.592 1.00 23.12 H new ATOM 0 HB3 LYS A 106 -5.694 7.096 -9.313 1.00 23.12 H new ATOM 0 HG2 LYS A 106 -8.115 6.690 -11.074 1.00 30.13 H new ATOM 0 HG3 LYS A 106 -6.696 7.499 -11.707 1.00 30.13 H new ATOM 0 HD2 LYS A 106 -5.299 5.527 -11.097 1.00 62.21 H new ATOM 0 HD3 LYS A 106 -6.720 4.717 -10.466 1.00 62.21 H new ATOM 0 HE2 LYS A 106 -6.295 5.583 -13.357 1.00 41.50 H new ATOM 0 HE3 LYS A 106 -6.189 3.942 -12.751 1.00 41.50 H new ATOM 0 HZ1 LYS A 106 -8.312 4.175 -13.693 1.00 13.32 H new ATOM 0 HZ2 LYS A 106 -8.566 4.218 -12.014 1.00 13.32 H new ATOM 0 HZ3 LYS A 106 -8.604 5.657 -12.916 1.00 13.32 H new ATOM 1650 N LYS A 107 -8.304 4.486 -8.583 1.00 3.13 N ATOM 1651 CA LYS A 107 -8.265 3.059 -8.278 1.00 4.22 C ATOM 1652 C LYS A 107 -7.041 2.392 -8.896 1.00 24.51 C ATOM 1653 O LYS A 107 -6.601 2.741 -9.990 1.00 62.52 O ATOM 1654 CB LYS A 107 -9.556 2.366 -8.738 1.00 73.20 C ATOM 1655 CG LYS A 107 -10.794 2.806 -7.957 1.00 63.55 C ATOM 1656 CD LYS A 107 -10.680 2.463 -6.470 1.00 1.31 C ATOM 1657 CE LYS A 107 -11.889 2.948 -5.674 1.00 13.24 C ATOM 1658 NZ LYS A 107 -13.155 2.292 -6.106 1.00 71.22 N ATOM 0 H LYS A 107 -9.084 4.764 -9.179 1.00 3.13 H new ATOM 0 HA LYS A 107 -8.188 2.954 -7.196 1.00 4.22 H new ATOM 0 HB2 LYS A 107 -9.712 2.571 -9.797 1.00 73.20 H new ATOM 0 HB3 LYS A 107 -9.436 1.287 -8.637 1.00 73.20 H new ATOM 0 HG2 LYS A 107 -10.933 3.881 -8.072 1.00 63.55 H new ATOM 0 HG3 LYS A 107 -11.678 2.323 -8.375 1.00 63.55 H new ATOM 0 HD2 LYS A 107 -10.580 1.384 -6.354 1.00 1.31 H new ATOM 0 HD3 LYS A 107 -9.774 2.913 -6.063 1.00 1.31 H new ATOM 0 HE2 LYS A 107 -11.725 2.752 -4.614 1.00 13.24 H new ATOM 0 HE3 LYS A 107 -11.986 4.028 -5.787 1.00 13.24 H new ATOM 0 HZ1 LYS A 107 -13.928 2.577 -5.471 1.00 71.22 H new ATOM 0 HZ2 LYS A 107 -13.381 2.581 -7.079 1.00 71.22 H new ATOM 0 HZ3 LYS A 107 -13.041 1.259 -6.070 1.00 71.22 H new ATOM 1672 N LEU A 108 -6.531 1.411 -8.182 1.00 52.41 N ATOM 1673 CA LEU A 108 -5.227 0.824 -8.436 1.00 52.42 C ATOM 1674 C LEU A 108 -5.283 -0.669 -8.115 1.00 44.15 C ATOM 1675 O LEU A 108 -6.265 -1.146 -7.542 1.00 23.41 O ATOM 1676 CB LEU A 108 -4.140 1.548 -7.621 1.00 72.52 C ATOM 1677 CG LEU A 108 -2.976 2.161 -8.424 1.00 14.04 C ATOM 1678 CD1 LEU A 108 -2.171 1.078 -9.132 1.00 73.41 C ATOM 1679 CD2 LEU A 108 -3.488 3.198 -9.422 1.00 22.40 C ATOM 0 H LEU A 108 -7.019 0.989 -7.392 1.00 52.41 H new ATOM 0 HA LEU A 108 -4.964 0.942 -9.487 1.00 52.42 H new ATOM 0 HB2 LEU A 108 -4.616 2.344 -7.048 1.00 72.52 H new ATOM 0 HB3 LEU A 108 -3.725 0.842 -6.902 1.00 72.52 H new ATOM 0 HG LEU A 108 -2.314 2.667 -7.721 1.00 14.04 H new ATOM 0 HD11 LEU A 108 -1.356 1.537 -9.691 1.00 73.41 H new ATOM 0 HD12 LEU A 108 -1.761 0.388 -8.394 1.00 73.41 H new ATOM 0 HD13 LEU A 108 -2.819 0.533 -9.818 1.00 73.41 H new ATOM 0 HD21 LEU A 108 -2.647 3.616 -9.976 1.00 22.40 H new ATOM 0 HD22 LEU A 108 -4.181 2.723 -10.117 1.00 22.40 H new ATOM 0 HD23 LEU A 108 -4.002 3.996 -8.886 1.00 22.40 H new ATOM 1691 N SER A 109 -4.258 -1.399 -8.525 1.00 35.43 N ATOM 1692 CA SER A 109 -4.265 -2.856 -8.506 1.00 71.34 C ATOM 1693 C SER A 109 -4.189 -3.422 -7.080 1.00 74.33 C ATOM 1694 O SER A 109 -4.217 -2.686 -6.092 1.00 42.30 O ATOM 1695 CB SER A 109 -3.045 -3.336 -9.297 1.00 13.25 C ATOM 1696 OG SER A 109 -3.165 -3.014 -10.674 1.00 43.52 O ATOM 0 H SER A 109 -3.392 -0.996 -8.883 1.00 35.43 H new ATOM 0 HA SER A 109 -5.200 -3.205 -8.944 1.00 71.34 H new ATOM 0 HB2 SER A 109 -2.143 -2.878 -8.891 1.00 13.25 H new ATOM 0 HB3 SER A 109 -2.935 -4.414 -9.182 1.00 13.25 H new ATOM 0 HG SER A 109 -2.282 -2.791 -11.036 1.00 43.52 H new ATOM 1702 N GLN A 110 -4.142 -4.746 -6.988 1.00 24.15 N ATOM 1703 CA GLN A 110 -4.097 -5.440 -5.707 1.00 45.03 C ATOM 1704 C GLN A 110 -3.157 -6.643 -5.803 1.00 72.13 C ATOM 1705 O GLN A 110 -3.351 -7.526 -6.644 1.00 3.31 O ATOM 1706 CB GLN A 110 -5.511 -5.895 -5.314 1.00 71.42 C ATOM 1707 CG GLN A 110 -5.592 -6.599 -3.964 1.00 3.42 C ATOM 1708 CD GLN A 110 -6.981 -7.140 -3.673 1.00 43.15 C ATOM 1709 OE1 GLN A 110 -7.723 -7.507 -4.584 1.00 13.31 O ATOM 1710 NE2 GLN A 110 -7.349 -7.192 -2.402 1.00 34.35 N ATOM 0 H GLN A 110 -4.134 -5.367 -7.797 1.00 24.15 H new ATOM 0 HA GLN A 110 -3.721 -4.762 -4.941 1.00 45.03 H new ATOM 0 HB2 GLN A 110 -6.168 -5.025 -5.297 1.00 71.42 H new ATOM 0 HB3 GLN A 110 -5.891 -6.567 -6.084 1.00 71.42 H new ATOM 0 HG2 GLN A 110 -4.874 -7.419 -3.942 1.00 3.42 H new ATOM 0 HG3 GLN A 110 -5.305 -5.902 -3.177 1.00 3.42 H new ATOM 0 HE21 GLN A 110 -6.708 -6.879 -1.672 1.00 34.35 H new ATOM 0 HE22 GLN A 110 -8.273 -7.545 -2.153 1.00 34.35 H new ATOM 1719 N VAL A 111 -2.131 -6.653 -4.963 1.00 41.02 N ATOM 1720 CA VAL A 111 -1.175 -7.751 -4.911 1.00 33.32 C ATOM 1721 C VAL A 111 -1.566 -8.733 -3.806 1.00 35.23 C ATOM 1722 O VAL A 111 -1.587 -8.379 -2.626 1.00 22.11 O ATOM 1723 CB VAL A 111 0.267 -7.233 -4.656 1.00 74.24 C ATOM 1724 CG1 VAL A 111 1.269 -8.388 -4.627 1.00 2.21 C ATOM 1725 CG2 VAL A 111 0.661 -6.191 -5.706 1.00 73.11 C ATOM 0 H VAL A 111 -1.938 -5.902 -4.300 1.00 41.02 H new ATOM 0 HA VAL A 111 -1.194 -8.256 -5.877 1.00 33.32 H new ATOM 0 HB VAL A 111 0.286 -6.753 -3.678 1.00 74.24 H new ATOM 0 HG11 VAL A 111 2.270 -7.997 -4.447 1.00 2.21 H new ATOM 0 HG12 VAL A 111 1.002 -9.082 -3.830 1.00 2.21 H new ATOM 0 HG13 VAL A 111 1.250 -8.910 -5.584 1.00 2.21 H new ATOM 0 HG21 VAL A 111 1.674 -5.841 -5.509 1.00 73.11 H new ATOM 0 HG22 VAL A 111 0.619 -6.640 -6.698 1.00 73.11 H new ATOM 0 HG23 VAL A 111 -0.029 -5.349 -5.659 1.00 73.11 H new ATOM 1735 N ILE A 112 -1.893 -9.958 -4.197 1.00 32.11 N ATOM 1736 CA ILE A 112 -2.279 -10.994 -3.242 1.00 60.05 C ATOM 1737 C ILE A 112 -1.048 -11.795 -2.814 1.00 2.13 C ATOM 1738 O ILE A 112 -0.424 -12.478 -3.631 1.00 75.31 O ATOM 1739 CB ILE A 112 -3.354 -11.958 -3.827 1.00 21.01 C ATOM 1740 CG1 ILE A 112 -4.677 -11.212 -4.118 1.00 34.34 C ATOM 1741 CG2 ILE A 112 -3.609 -13.126 -2.870 1.00 53.15 C ATOM 1742 CD1 ILE A 112 -4.623 -10.264 -5.301 1.00 14.13 C ATOM 0 H ILE A 112 -1.899 -10.261 -5.171 1.00 32.11 H new ATOM 0 HA ILE A 112 -2.716 -10.494 -2.378 1.00 60.05 H new ATOM 0 HB ILE A 112 -2.969 -12.350 -4.768 1.00 21.01 H new ATOM 0 HG12 ILE A 112 -5.462 -11.948 -4.295 1.00 34.34 H new ATOM 0 HG13 ILE A 112 -4.963 -10.648 -3.230 1.00 34.34 H new ATOM 0 HG21 ILE A 112 -4.363 -13.788 -3.296 1.00 53.15 H new ATOM 0 HG22 ILE A 112 -2.683 -13.681 -2.718 1.00 53.15 H new ATOM 0 HG23 ILE A 112 -3.963 -12.742 -1.913 1.00 53.15 H new ATOM 0 HD11 ILE A 112 -5.594 -9.786 -5.429 1.00 14.13 H new ATOM 0 HD12 ILE A 112 -3.865 -9.502 -5.122 1.00 14.13 H new ATOM 0 HD13 ILE A 112 -4.371 -10.822 -6.203 1.00 14.13 H new ATOM 1754 N GLY A 113 -0.703 -11.710 -1.532 1.00 74.10 N ATOM 1755 CA GLY A 113 0.470 -12.399 -1.023 1.00 32.55 C ATOM 1756 C GLY A 113 1.721 -11.536 -1.072 1.00 51.30 C ATOM 1757 O GLY A 113 1.731 -10.462 -1.681 1.00 14.30 O ATOM 0 H GLY A 113 -1.218 -11.173 -0.834 1.00 74.10 H new ATOM 0 HA2 GLY A 113 0.287 -12.709 0.006 1.00 32.55 H new ATOM 0 HA3 GLY A 113 0.635 -13.306 -1.605 1.00 32.55 H new ATOM 1761 N ALA A 114 2.781 -12.016 -0.432 1.00 14.45 N ATOM 1762 CA ALA A 114 4.050 -11.299 -0.372 1.00 73.12 C ATOM 1763 C ALA A 114 4.881 -11.560 -1.631 1.00 55.22 C ATOM 1764 O ALA A 114 5.822 -12.356 -1.605 1.00 10.43 O ATOM 1765 CB ALA A 114 4.818 -11.711 0.880 1.00 62.24 C ATOM 0 H ALA A 114 2.786 -12.910 0.059 1.00 14.45 H new ATOM 0 HA ALA A 114 3.848 -10.229 -0.323 1.00 73.12 H new ATOM 0 HB1 ALA A 114 5.765 -11.173 0.920 1.00 62.24 H new ATOM 0 HB2 ALA A 114 4.227 -11.472 1.764 1.00 62.24 H new ATOM 0 HB3 ALA A 114 5.011 -12.783 0.852 1.00 62.24 H new ATOM 1771 N ASP A 115 4.507 -10.920 -2.740 1.00 0.41 N ATOM 1772 CA ASP A 115 5.262 -11.046 -3.990 1.00 22.23 C ATOM 1773 C ASP A 115 5.878 -9.709 -4.386 1.00 52.13 C ATOM 1774 O ASP A 115 5.231 -8.859 -5.021 1.00 50.12 O ATOM 1775 CB ASP A 115 4.388 -11.583 -5.135 1.00 11.30 C ATOM 1776 CG ASP A 115 5.169 -11.733 -6.438 1.00 40.44 C ATOM 1777 OD1 ASP A 115 6.380 -12.050 -6.381 1.00 62.24 O ATOM 1778 OD2 ASP A 115 4.579 -11.545 -7.522 1.00 52.31 O ATOM 0 H ASP A 115 3.690 -10.312 -2.800 1.00 0.41 H new ATOM 0 HA ASP A 115 6.060 -11.767 -3.812 1.00 22.23 H new ATOM 0 HB2 ASP A 115 3.973 -12.549 -4.850 1.00 11.30 H new ATOM 0 HB3 ASP A 115 3.546 -10.909 -5.294 1.00 11.30 H new ATOM 1783 N ILE A 116 7.141 -9.537 -4.010 1.00 3.34 N ATOM 1784 CA ILE A 116 7.862 -8.298 -4.262 1.00 43.45 C ATOM 1785 C ILE A 116 7.944 -8.034 -5.769 1.00 73.34 C ATOM 1786 O ILE A 116 7.992 -6.887 -6.204 1.00 64.42 O ATOM 1787 CB ILE A 116 9.289 -8.342 -3.626 1.00 4.43 C ATOM 1788 CG1 ILE A 116 9.672 -6.979 -3.014 1.00 10.14 C ATOM 1789 CG2 ILE A 116 10.346 -8.788 -4.641 1.00 71.21 C ATOM 1790 CD1 ILE A 116 9.793 -5.847 -4.013 1.00 34.32 C ATOM 0 H ILE A 116 7.689 -10.248 -3.526 1.00 3.34 H new ATOM 0 HA ILE A 116 7.316 -7.479 -3.794 1.00 43.45 H new ATOM 0 HB ILE A 116 9.259 -9.081 -2.825 1.00 4.43 H new ATOM 0 HG12 ILE A 116 8.925 -6.708 -2.268 1.00 10.14 H new ATOM 0 HG13 ILE A 116 10.622 -7.086 -2.490 1.00 10.14 H new ATOM 0 HG21 ILE A 116 11.325 -8.806 -4.162 1.00 71.21 H new ATOM 0 HG22 ILE A 116 10.102 -9.786 -5.006 1.00 71.21 H new ATOM 0 HG23 ILE A 116 10.364 -8.090 -5.478 1.00 71.21 H new ATOM 0 HD11 ILE A 116 10.065 -4.929 -3.492 1.00 34.32 H new ATOM 0 HD12 ILE A 116 10.562 -6.090 -4.746 1.00 34.32 H new ATOM 0 HD13 ILE A 116 8.839 -5.706 -4.521 1.00 34.32 H new ATOM 1802 N SER A 117 7.926 -9.108 -6.560 1.00 72.11 N ATOM 1803 CA SER A 117 8.003 -8.992 -8.012 1.00 62.35 C ATOM 1804 C SER A 117 6.796 -8.220 -8.543 1.00 52.23 C ATOM 1805 O SER A 117 6.944 -7.215 -9.247 1.00 43.42 O ATOM 1806 CB SER A 117 8.084 -10.385 -8.654 1.00 31.00 C ATOM 1807 OG SER A 117 8.349 -10.301 -10.045 1.00 71.34 O ATOM 0 H SER A 117 7.859 -10.066 -6.217 1.00 72.11 H new ATOM 0 HA SER A 117 8.906 -8.442 -8.275 1.00 62.35 H new ATOM 0 HB2 SER A 117 8.867 -10.966 -8.168 1.00 31.00 H new ATOM 0 HB3 SER A 117 7.146 -10.916 -8.493 1.00 31.00 H new ATOM 0 HG SER A 117 8.396 -11.203 -10.424 1.00 71.34 H new ATOM 1813 N LYS A 118 5.597 -8.677 -8.182 1.00 33.42 N ATOM 1814 CA LYS A 118 4.372 -8.003 -8.600 1.00 71.05 C ATOM 1815 C LYS A 118 4.322 -6.593 -8.021 1.00 31.35 C ATOM 1816 O LYS A 118 3.939 -5.642 -8.710 1.00 30.13 O ATOM 1817 CB LYS A 118 3.133 -8.797 -8.161 1.00 32.12 C ATOM 1818 CG LYS A 118 1.817 -8.241 -8.699 1.00 11.02 C ATOM 1819 CD LYS A 118 1.766 -8.281 -10.226 1.00 24.32 C ATOM 1820 CE LYS A 118 0.475 -7.681 -10.769 1.00 33.42 C ATOM 1821 NZ LYS A 118 0.403 -7.771 -12.253 1.00 45.25 N ATOM 0 H LYS A 118 5.450 -9.505 -7.605 1.00 33.42 H new ATOM 0 HA LYS A 118 4.372 -7.941 -9.688 1.00 71.05 H new ATOM 0 HB2 LYS A 118 3.241 -9.830 -8.490 1.00 32.12 H new ATOM 0 HB3 LYS A 118 3.091 -8.812 -7.072 1.00 32.12 H new ATOM 0 HG2 LYS A 118 0.986 -8.817 -8.292 1.00 11.02 H new ATOM 0 HG3 LYS A 118 1.690 -7.214 -8.358 1.00 11.02 H new ATOM 0 HD2 LYS A 118 2.618 -7.736 -10.632 1.00 24.32 H new ATOM 0 HD3 LYS A 118 1.857 -9.313 -10.565 1.00 24.32 H new ATOM 0 HE2 LYS A 118 -0.378 -8.199 -10.332 1.00 33.42 H new ATOM 0 HE3 LYS A 118 0.404 -6.637 -10.465 1.00 33.42 H new ATOM 0 HZ1 LYS A 118 -0.490 -7.352 -12.583 1.00 45.25 H new ATOM 0 HZ2 LYS A 118 1.203 -7.255 -12.671 1.00 45.25 H new ATOM 0 HZ3 LYS A 118 0.445 -8.769 -12.543 1.00 45.25 H new ATOM 1835 N ILE A 119 4.725 -6.467 -6.753 1.00 43.11 N ATOM 1836 CA ILE A 119 4.741 -5.167 -6.082 1.00 54.41 C ATOM 1837 C ILE A 119 5.571 -4.146 -6.872 1.00 34.31 C ATOM 1838 O ILE A 119 5.057 -3.099 -7.275 1.00 63.41 O ATOM 1839 CB ILE A 119 5.288 -5.291 -4.632 1.00 41.23 C ATOM 1840 CG1 ILE A 119 4.342 -6.157 -3.776 1.00 34.22 C ATOM 1841 CG2 ILE A 119 5.481 -3.912 -4.001 1.00 34.34 C ATOM 1842 CD1 ILE A 119 4.818 -6.381 -2.354 1.00 33.31 C ATOM 0 H ILE A 119 5.042 -7.245 -6.175 1.00 43.11 H new ATOM 0 HA ILE A 119 3.711 -4.813 -6.034 1.00 54.41 H new ATOM 0 HB ILE A 119 6.262 -5.779 -4.673 1.00 41.23 H new ATOM 0 HG12 ILE A 119 3.361 -5.684 -3.748 1.00 34.22 H new ATOM 0 HG13 ILE A 119 4.215 -7.125 -4.261 1.00 34.22 H new ATOM 0 HG21 ILE A 119 5.864 -4.026 -2.987 1.00 34.34 H new ATOM 0 HG22 ILE A 119 6.191 -3.336 -4.595 1.00 34.34 H new ATOM 0 HG23 ILE A 119 4.525 -3.389 -3.971 1.00 34.34 H new ATOM 0 HD11 ILE A 119 4.095 -6.999 -1.822 1.00 33.31 H new ATOM 0 HD12 ILE A 119 5.785 -6.884 -2.369 1.00 33.31 H new ATOM 0 HD13 ILE A 119 4.917 -5.421 -1.848 1.00 33.31 H new ATOM 1854 N ILE A 120 6.837 -4.472 -7.133 1.00 42.30 N ATOM 1855 CA ILE A 120 7.730 -3.550 -7.840 1.00 1.41 C ATOM 1856 C ILE A 120 7.253 -3.332 -9.275 1.00 10.42 C ATOM 1857 O ILE A 120 7.371 -2.230 -9.819 1.00 44.11 O ATOM 1858 CB ILE A 120 9.208 -4.044 -7.841 1.00 72.25 C ATOM 1859 CG1 ILE A 120 10.135 -3.000 -8.491 1.00 22.52 C ATOM 1860 CG2 ILE A 120 9.339 -5.386 -8.556 1.00 12.42 C ATOM 1861 CD1 ILE A 120 10.115 -1.647 -7.808 1.00 72.43 C ATOM 0 H ILE A 120 7.266 -5.359 -6.869 1.00 42.30 H new ATOM 0 HA ILE A 120 7.698 -2.603 -7.301 1.00 1.41 H new ATOM 0 HB ILE A 120 9.512 -4.179 -6.803 1.00 72.25 H new ATOM 0 HG12 ILE A 120 11.156 -3.383 -8.486 1.00 22.52 H new ATOM 0 HG13 ILE A 120 9.847 -2.873 -9.535 1.00 22.52 H new ATOM 0 HG21 ILE A 120 10.381 -5.706 -8.541 1.00 12.42 H new ATOM 0 HG22 ILE A 120 8.724 -6.130 -8.050 1.00 12.42 H new ATOM 0 HG23 ILE A 120 9.006 -5.282 -9.589 1.00 12.42 H new ATOM 0 HD11 ILE A 120 10.793 -0.968 -8.325 1.00 72.43 H new ATOM 0 HD12 ILE A 120 9.104 -1.240 -7.836 1.00 72.43 H new ATOM 0 HD13 ILE A 120 10.433 -1.758 -6.771 1.00 72.43 H new ATOM 1873 N SER A 121 6.693 -4.384 -9.874 1.00 0.41 N ATOM 1874 CA SER A 121 6.176 -4.304 -11.232 1.00 32.55 C ATOM 1875 C SER A 121 5.125 -3.201 -11.336 1.00 1.31 C ATOM 1876 O SER A 121 5.228 -2.313 -12.184 1.00 33.52 O ATOM 1877 CB SER A 121 5.576 -5.653 -11.654 1.00 13.14 C ATOM 1878 OG SER A 121 5.071 -5.607 -12.980 1.00 20.14 O ATOM 0 H SER A 121 6.588 -5.299 -9.436 1.00 0.41 H new ATOM 0 HA SER A 121 7.000 -4.064 -11.904 1.00 32.55 H new ATOM 0 HB2 SER A 121 6.337 -6.430 -11.580 1.00 13.14 H new ATOM 0 HB3 SER A 121 4.774 -5.926 -10.968 1.00 13.14 H new ATOM 0 HG SER A 121 4.698 -6.481 -13.218 1.00 20.14 H new ATOM 1884 N GLU A 122 4.133 -3.240 -10.447 1.00 23.43 N ATOM 1885 CA GLU A 122 3.053 -2.259 -10.469 1.00 32.43 C ATOM 1886 C GLU A 122 3.532 -0.887 -9.997 1.00 32.21 C ATOM 1887 O GLU A 122 3.026 0.138 -10.461 1.00 52.22 O ATOM 1888 CB GLU A 122 1.854 -2.736 -9.637 1.00 43.34 C ATOM 1889 CG GLU A 122 0.989 -3.770 -10.351 1.00 23.23 C ATOM 1890 CD GLU A 122 0.437 -3.251 -11.674 1.00 3.45 C ATOM 1891 OE1 GLU A 122 -0.503 -2.427 -11.653 1.00 3.03 O ATOM 1892 OE2 GLU A 122 0.942 -3.657 -12.742 1.00 23.03 O ATOM 0 H GLU A 122 4.056 -3.937 -9.707 1.00 23.43 H new ATOM 0 HA GLU A 122 2.727 -2.157 -11.504 1.00 32.43 H new ATOM 0 HB2 GLU A 122 2.218 -3.162 -8.702 1.00 43.34 H new ATOM 0 HB3 GLU A 122 1.237 -1.876 -9.377 1.00 43.34 H new ATOM 0 HG2 GLU A 122 1.578 -4.669 -10.534 1.00 23.23 H new ATOM 0 HG3 GLU A 122 0.161 -4.058 -9.703 1.00 23.23 H new ATOM 1899 N ILE A 123 4.506 -0.859 -9.087 1.00 20.15 N ATOM 1900 CA ILE A 123 5.086 0.413 -8.655 1.00 21.34 C ATOM 1901 C ILE A 123 5.641 1.172 -9.862 1.00 45.41 C ATOM 1902 O ILE A 123 5.229 2.299 -10.146 1.00 22.25 O ATOM 1903 CB ILE A 123 6.213 0.211 -7.601 1.00 31.15 C ATOM 1904 CG1 ILE A 123 5.619 -0.265 -6.261 1.00 53.21 C ATOM 1905 CG2 ILE A 123 7.019 1.496 -7.404 1.00 54.34 C ATOM 1906 CD1 ILE A 123 6.652 -0.482 -5.169 1.00 41.21 C ATOM 0 H ILE A 123 4.904 -1.686 -8.642 1.00 20.15 H new ATOM 0 HA ILE A 123 4.291 0.992 -8.186 1.00 21.34 H new ATOM 0 HB ILE A 123 6.890 -0.557 -7.974 1.00 31.15 H new ATOM 0 HG12 ILE A 123 4.891 0.469 -5.917 1.00 53.21 H new ATOM 0 HG13 ILE A 123 5.078 -1.197 -6.426 1.00 53.21 H new ATOM 0 HG21 ILE A 123 7.799 1.326 -6.662 1.00 54.34 H new ATOM 0 HG22 ILE A 123 7.475 1.788 -8.350 1.00 54.34 H new ATOM 0 HG23 ILE A 123 6.358 2.291 -7.059 1.00 54.34 H new ATOM 0 HD11 ILE A 123 6.154 -0.816 -4.259 1.00 41.21 H new ATOM 0 HD12 ILE A 123 7.367 -1.239 -5.490 1.00 41.21 H new ATOM 0 HD13 ILE A 123 7.177 0.453 -4.973 1.00 41.21 H new ATOM 1918 N ASN A 124 6.530 0.524 -10.603 1.00 42.01 N ATOM 1919 CA ASN A 124 7.160 1.145 -11.768 1.00 54.52 C ATOM 1920 C ASN A 124 6.138 1.351 -12.881 1.00 3.52 C ATOM 1921 O ASN A 124 6.183 2.350 -13.602 1.00 74.03 O ATOM 1922 CB ASN A 124 8.321 0.282 -12.283 1.00 22.32 C ATOM 1923 CG ASN A 124 9.412 0.057 -11.244 1.00 65.53 C ATOM 1924 OD1 ASN A 124 9.656 0.899 -10.380 1.00 33.24 O ATOM 1925 ND2 ASN A 124 10.079 -1.086 -11.325 1.00 63.13 N ATOM 0 H ASN A 124 6.834 -0.433 -10.420 1.00 42.01 H new ATOM 0 HA ASN A 124 7.553 2.115 -11.462 1.00 54.52 H new ATOM 0 HB2 ASN A 124 7.931 -0.684 -12.606 1.00 22.32 H new ATOM 0 HB3 ASN A 124 8.758 0.759 -13.161 1.00 22.32 H new ATOM 0 HD21 ASN A 124 10.822 -1.291 -10.657 1.00 63.13 H new ATOM 0 HD22 ASN A 124 9.849 -1.760 -12.055 1.00 63.13 H new ATOM 1932 N ASN A 125 5.211 0.406 -12.999 1.00 54.41 N ATOM 1933 CA ASN A 125 4.178 0.446 -14.038 1.00 55.12 C ATOM 1934 C ASN A 125 3.239 1.636 -13.843 1.00 25.53 C ATOM 1935 O ASN A 125 2.769 2.230 -14.814 1.00 54.35 O ATOM 1936 CB ASN A 125 3.367 -0.861 -14.031 1.00 64.43 C ATOM 1937 CG ASN A 125 2.303 -0.917 -15.121 1.00 22.33 C ATOM 1938 OD1 ASN A 125 2.465 -0.349 -16.204 1.00 54.11 O ATOM 1939 ND2 ASN A 125 1.210 -1.618 -14.848 1.00 42.35 N ATOM 0 H ASN A 125 5.151 -0.405 -12.384 1.00 54.41 H new ATOM 0 HA ASN A 125 4.678 0.559 -15.000 1.00 55.12 H new ATOM 0 HB2 ASN A 125 4.048 -1.703 -14.154 1.00 64.43 H new ATOM 0 HB3 ASN A 125 2.888 -0.978 -13.059 1.00 64.43 H new ATOM 0 HD21 ASN A 125 0.470 -1.700 -15.545 1.00 42.35 H new ATOM 0 HD22 ASN A 125 1.110 -2.075 -13.941 1.00 42.35 H new ATOM 1946 N ASN A 126 2.970 1.984 -12.586 1.00 24.52 N ATOM 1947 CA ASN A 126 2.001 3.039 -12.279 1.00 3.32 C ATOM 1948 C ASN A 126 2.668 4.370 -11.933 1.00 12.21 C ATOM 1949 O ASN A 126 1.991 5.399 -11.885 1.00 1.12 O ATOM 1950 CB ASN A 126 1.060 2.603 -11.150 1.00 24.40 C ATOM 1951 CG ASN A 126 0.057 1.556 -11.608 1.00 54.35 C ATOM 1952 OD1 ASN A 126 -1.026 1.893 -12.090 1.00 34.21 O ATOM 1953 ND2 ASN A 126 0.405 0.286 -11.463 1.00 61.24 N ATOM 0 H ASN A 126 3.404 1.556 -11.768 1.00 24.52 H new ATOM 0 HA ASN A 126 1.418 3.200 -13.186 1.00 3.32 H new ATOM 0 HB2 ASN A 126 1.648 2.203 -10.324 1.00 24.40 H new ATOM 0 HB3 ASN A 126 0.525 3.473 -10.769 1.00 24.40 H new ATOM 0 HD21 ASN A 126 -0.233 -0.454 -11.755 1.00 61.24 H new ATOM 0 HD22 ASN A 126 1.311 0.048 -11.059 1.00 61.24 H new ATOM 1960 N ILE A 127 3.975 4.358 -11.659 1.00 70.43 N ATOM 1961 CA ILE A 127 4.724 5.611 -11.508 1.00 5.54 C ATOM 1962 C ILE A 127 5.126 6.133 -12.881 1.00 73.03 C ATOM 1963 O ILE A 127 4.939 7.311 -13.197 1.00 41.32 O ATOM 1964 CB ILE A 127 5.999 5.450 -10.634 1.00 54.31 C ATOM 1965 CG1 ILE A 127 5.624 5.145 -9.176 1.00 61.01 C ATOM 1966 CG2 ILE A 127 6.871 6.708 -10.708 1.00 1.30 C ATOM 1967 CD1 ILE A 127 6.823 4.988 -8.264 1.00 42.53 C ATOM 0 H ILE A 127 4.530 3.511 -11.539 1.00 70.43 H new ATOM 0 HA ILE A 127 4.065 6.316 -11.001 1.00 5.54 H new ATOM 0 HB ILE A 127 6.572 4.610 -11.026 1.00 54.31 H new ATOM 0 HG12 ILE A 127 4.991 5.947 -8.796 1.00 61.01 H new ATOM 0 HG13 ILE A 127 5.032 4.230 -9.145 1.00 61.01 H new ATOM 0 HG21 ILE A 127 7.758 6.573 -10.089 1.00 1.30 H new ATOM 0 HG22 ILE A 127 7.173 6.881 -11.741 1.00 1.30 H new ATOM 0 HG23 ILE A 127 6.304 7.566 -10.347 1.00 1.30 H new ATOM 0 HD11 ILE A 127 6.484 4.774 -7.250 1.00 42.53 H new ATOM 0 HD12 ILE A 127 7.445 4.167 -8.619 1.00 42.53 H new ATOM 0 HD13 ILE A 127 7.404 5.910 -8.265 1.00 42.53 H new ATOM 1979 N ASN A 128 5.688 5.243 -13.690 1.00 54.44 N ATOM 1980 CA ASN A 128 6.093 5.582 -15.047 1.00 30.42 C ATOM 1981 C ASN A 128 5.153 4.908 -16.041 1.00 61.02 C ATOM 1982 O ASN A 128 4.058 5.457 -16.287 1.00 12.22 O ATOM 1983 CB ASN A 128 7.549 5.159 -15.300 1.00 41.34 C ATOM 1984 CG ASN A 128 8.544 5.943 -14.461 1.00 12.00 C ATOM 1985 OD1 ASN A 128 9.061 6.974 -14.890 1.00 62.41 O ATOM 1986 ND2 ASN A 128 8.826 5.458 -13.260 1.00 60.43 N ATOM 1987 OXT ASN A 128 5.500 3.824 -16.560 1.00 0.00 O ATOM 0 H ASN A 128 5.874 4.275 -13.427 1.00 54.44 H new ATOM 0 HA ASN A 128 6.033 6.662 -15.178 1.00 30.42 H new ATOM 0 HB2 ASN A 128 7.657 4.096 -15.084 1.00 41.34 H new ATOM 0 HB3 ASN A 128 7.784 5.295 -16.356 1.00 41.34 H new ATOM 0 HD21 ASN A 128 9.491 5.943 -12.658 1.00 60.43 H new ATOM 0 HD22 ASN A 128 8.377 4.600 -12.938 1.00 60.43 H new TER 1994 ASN A 128