USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 603 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 33 GLN : amide:sc= 0.318 K(o=0.62,f=0) USER MOD Set 1.2: A 36 GLN : amide:sc= 0.306 K(o=0.62,f=-1.6) USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0594 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.01 X(o=-0.01,f=-0.041) USER MOD Single : A 23 CYS SG : rot 61:sc= -6.08! USER MOD Single : A 24 HIS : no HD1:sc= -1.82 K(o=-1.8,f=-3.1!) USER MOD Single : A 25 GLN : amide:sc= -0.593 X(o=-0.59,f=-0.9) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.298 USER MOD Single : A 37 ASN : amide:sc= -0.0104 X(o=-0.01,f=0) USER MOD Single : A 39 MET CE :methyl 175:sc= -0.125 (180deg=-0.185) USER MOD Single : A 41 HIS : no HD1:sc= -0.0402 X(o=-0.04,f=-0.088) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= 0.262 X(o=0.26,f=-0.1) USER MOD Single : A 52 ASN : amide:sc= -0.0879 K(o=-0.088,f=-0.8) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -165:sc= -0.0593 (180deg=-0.46) USER MOD Single : A 59 GLN : amide:sc=-0.00202 X(o=-0.002,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.619 K(o=-0.62,f=-1.7) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0255 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.918 -8.451 16.465 1.00 0.00 N ATOM 2 CA GLY A 1 -16.831 -7.044 16.113 1.00 0.00 C ATOM 3 C GLY A 1 -15.387 -6.646 15.800 1.00 0.00 C ATOM 4 O GLY A 1 -14.580 -7.485 15.404 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.623 -8.918 15.859 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.991 -8.901 16.328 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.203 -8.543 17.461 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.463 -6.842 15.249 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.210 -6.436 16.934 1.00 0.00 H new ATOM 8 N SER A 2 -15.106 -5.365 15.991 1.00 0.00 N ATOM 9 CA SER A 2 -13.774 -4.845 15.734 1.00 0.00 C ATOM 10 C SER A 2 -13.741 -3.338 15.993 1.00 0.00 C ATOM 11 O SER A 2 -14.784 -2.715 16.189 1.00 0.00 O ATOM 12 CB SER A 2 -13.332 -5.146 14.300 1.00 0.00 C ATOM 13 OG SER A 2 -11.981 -5.595 14.241 1.00 0.00 O ATOM 0 H SER A 2 -15.778 -4.672 16.321 1.00 0.00 H new ATOM 0 HA SER A 2 -13.078 -5.339 16.412 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.986 -5.906 13.871 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.443 -4.249 13.691 1.00 0.00 H new ATOM 0 HG SER A 2 -11.738 -5.778 13.310 1.00 0.00 H new ATOM 19 N SER A 3 -12.533 -2.794 15.987 1.00 0.00 N ATOM 20 CA SER A 3 -12.351 -1.372 16.219 1.00 0.00 C ATOM 21 C SER A 3 -11.004 -0.917 15.653 1.00 0.00 C ATOM 22 O SER A 3 -9.951 -1.319 16.147 1.00 0.00 O ATOM 23 CB SER A 3 -12.438 -1.042 17.711 1.00 0.00 C ATOM 24 OG SER A 3 -13.075 0.212 17.944 1.00 0.00 O ATOM 0 H SER A 3 -11.670 -3.313 15.825 1.00 0.00 H new ATOM 0 HA SER A 3 -13.152 -0.837 15.708 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.989 -1.830 18.225 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.435 -1.024 18.138 1.00 0.00 H new ATOM 0 HG SER A 3 -13.113 0.386 18.908 1.00 0.00 H new ATOM 30 N GLY A 4 -11.081 -0.085 14.625 1.00 0.00 N ATOM 31 CA GLY A 4 -9.881 0.428 13.986 1.00 0.00 C ATOM 32 C GLY A 4 -9.556 1.839 14.483 1.00 0.00 C ATOM 33 O GLY A 4 -10.346 2.442 15.208 1.00 0.00 O ATOM 0 H GLY A 4 -11.956 0.247 14.219 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.042 -0.237 14.193 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.018 0.442 12.905 1.00 0.00 H new ATOM 37 N SER A 5 -8.393 2.323 14.073 1.00 0.00 N ATOM 38 CA SER A 5 -7.954 3.651 14.467 1.00 0.00 C ATOM 39 C SER A 5 -6.602 3.967 13.824 1.00 0.00 C ATOM 40 O SER A 5 -5.931 3.074 13.310 1.00 0.00 O ATOM 41 CB SER A 5 -7.859 3.770 15.990 1.00 0.00 C ATOM 42 OG SER A 5 -7.077 2.724 16.559 1.00 0.00 O ATOM 0 H SER A 5 -7.741 1.819 13.472 1.00 0.00 H new ATOM 0 HA SER A 5 -8.692 4.373 14.119 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.421 4.733 16.252 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.861 3.748 16.419 1.00 0.00 H new ATOM 0 HG SER A 5 -7.039 2.836 17.532 1.00 0.00 H new ATOM 48 N SER A 6 -6.243 5.242 13.875 1.00 0.00 N ATOM 49 CA SER A 6 -4.983 5.687 13.304 1.00 0.00 C ATOM 50 C SER A 6 -3.852 4.753 13.738 1.00 0.00 C ATOM 51 O SER A 6 -3.463 4.745 14.905 1.00 0.00 O ATOM 52 CB SER A 6 -4.670 7.127 13.717 1.00 0.00 C ATOM 53 OG SER A 6 -4.397 7.957 12.592 1.00 0.00 O ATOM 0 H SER A 6 -6.802 5.980 14.303 1.00 0.00 H new ATOM 0 HA SER A 6 -5.071 5.659 12.218 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.513 7.536 14.273 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.812 7.133 14.389 1.00 0.00 H new ATOM 0 HG SER A 6 -4.204 8.868 12.897 1.00 0.00 H new ATOM 59 N GLY A 7 -3.357 3.988 12.776 1.00 0.00 N ATOM 60 CA GLY A 7 -2.279 3.052 13.045 1.00 0.00 C ATOM 61 C GLY A 7 -0.956 3.560 12.468 1.00 0.00 C ATOM 62 O GLY A 7 -0.705 4.764 12.448 1.00 0.00 O ATOM 0 H GLY A 7 -3.683 3.997 11.809 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.179 2.906 14.121 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.519 2.081 12.613 1.00 0.00 H new ATOM 66 N PRO A 8 -0.123 2.592 12.001 1.00 0.00 N ATOM 67 CA PRO A 8 1.168 2.928 11.425 1.00 0.00 C ATOM 68 C PRO A 8 1.006 3.514 10.021 1.00 0.00 C ATOM 69 O PRO A 8 1.269 2.838 9.028 1.00 0.00 O ATOM 70 CB PRO A 8 1.956 1.628 11.439 1.00 0.00 C ATOM 71 CG PRO A 8 0.927 0.519 11.588 1.00 0.00 C ATOM 72 CD PRO A 8 -0.387 1.156 12.008 1.00 0.00 C ATOM 0 HA PRO A 8 1.691 3.701 11.988 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.529 1.508 10.519 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.669 1.612 12.263 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.807 -0.019 10.648 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.254 -0.208 12.332 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.190 0.898 11.318 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.694 0.815 12.997 1.00 0.00 H new ATOM 80 N ASP A 9 0.574 4.766 9.984 1.00 0.00 N ATOM 81 CA ASP A 9 0.374 5.451 8.718 1.00 0.00 C ATOM 82 C ASP A 9 -0.701 4.720 7.911 1.00 0.00 C ATOM 83 O ASP A 9 -0.387 3.872 7.077 1.00 0.00 O ATOM 84 CB ASP A 9 1.660 5.464 7.889 1.00 0.00 C ATOM 85 CG ASP A 9 2.854 6.147 8.559 1.00 0.00 C ATOM 86 OD1 ASP A 9 3.565 5.442 9.307 1.00 0.00 O ATOM 87 OD2 ASP A 9 3.029 7.359 8.307 1.00 0.00 O ATOM 0 H ASP A 9 0.357 5.324 10.810 1.00 0.00 H new ATOM 0 HA ASP A 9 0.074 6.476 8.934 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.934 4.435 7.654 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.459 5.964 6.942 1.00 0.00 H new ATOM 92 N ALA A 10 -1.947 5.075 8.188 1.00 0.00 N ATOM 93 CA ALA A 10 -3.070 4.463 7.499 1.00 0.00 C ATOM 94 C ALA A 10 -3.121 2.972 7.840 1.00 0.00 C ATOM 95 O ALA A 10 -2.200 2.225 7.514 1.00 0.00 O ATOM 96 CB ALA A 10 -2.944 4.713 5.994 1.00 0.00 C ATOM 0 H ALA A 10 -2.204 5.779 8.880 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.010 4.908 7.826 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.787 4.254 5.477 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.942 5.786 5.802 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.014 4.277 5.629 1.00 0.00 H new ATOM 102 N ASP A 11 -4.208 2.584 8.491 1.00 0.00 N ATOM 103 CA ASP A 11 -4.391 1.196 8.880 1.00 0.00 C ATOM 104 C ASP A 11 -4.098 0.292 7.681 1.00 0.00 C ATOM 105 O ASP A 11 -4.180 0.729 6.534 1.00 0.00 O ATOM 106 CB ASP A 11 -5.831 0.934 9.327 1.00 0.00 C ATOM 107 CG ASP A 11 -5.970 0.200 10.663 1.00 0.00 C ATOM 108 OD1 ASP A 11 -5.088 0.414 11.522 1.00 0.00 O ATOM 109 OD2 ASP A 11 -6.955 -0.557 10.794 1.00 0.00 O ATOM 0 H ASP A 11 -4.971 3.206 8.759 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.712 0.986 9.707 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.353 1.888 9.398 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.335 0.352 8.556 1.00 0.00 H new ATOM 114 N PRO A 12 -3.752 -0.986 7.995 1.00 0.00 N ATOM 115 CA PRO A 12 -3.446 -1.955 6.957 1.00 0.00 C ATOM 116 C PRO A 12 -4.721 -2.435 6.261 1.00 0.00 C ATOM 117 O PRO A 12 -4.899 -2.215 5.064 1.00 0.00 O ATOM 118 CB PRO A 12 -2.701 -3.072 7.669 1.00 0.00 C ATOM 119 CG PRO A 12 -3.024 -2.913 9.146 1.00 0.00 C ATOM 120 CD PRO A 12 -3.644 -1.539 9.342 1.00 0.00 C ATOM 0 HA PRO A 12 -2.837 -1.535 6.156 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.018 -4.048 7.303 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.628 -2.999 7.494 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.712 -3.693 9.472 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.120 -3.013 9.747 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.621 -1.610 9.821 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.022 -0.911 9.979 1.00 0.00 H new ATOM 128 N VAL A 13 -5.575 -3.081 7.041 1.00 0.00 N ATOM 129 CA VAL A 13 -6.829 -3.593 6.515 1.00 0.00 C ATOM 130 C VAL A 13 -7.428 -2.570 5.549 1.00 0.00 C ATOM 131 O VAL A 13 -7.751 -2.902 4.409 1.00 0.00 O ATOM 132 CB VAL A 13 -7.771 -3.952 7.666 1.00 0.00 C ATOM 133 CG1 VAL A 13 -7.934 -2.775 8.629 1.00 0.00 C ATOM 134 CG2 VAL A 13 -9.129 -4.420 7.137 1.00 0.00 C ATOM 0 H VAL A 13 -5.423 -3.262 8.033 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.661 -4.511 5.952 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.324 -4.778 8.220 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.608 -3.057 9.438 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.962 -2.507 9.044 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.348 -1.921 8.093 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.780 -4.669 7.975 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.584 -3.624 6.548 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.991 -5.301 6.510 1.00 0.00 H new ATOM 144 N GLU A 14 -7.558 -1.346 6.039 1.00 0.00 N ATOM 145 CA GLU A 14 -8.113 -0.272 5.233 1.00 0.00 C ATOM 146 C GLU A 14 -7.361 -0.162 3.905 1.00 0.00 C ATOM 147 O GLU A 14 -7.974 -0.150 2.839 1.00 0.00 O ATOM 148 CB GLU A 14 -8.081 1.056 5.992 1.00 0.00 C ATOM 149 CG GLU A 14 -9.489 1.481 6.412 1.00 0.00 C ATOM 150 CD GLU A 14 -10.303 1.951 5.204 1.00 0.00 C ATOM 151 OE1 GLU A 14 -10.570 1.096 4.332 1.00 0.00 O ATOM 152 OE2 GLU A 14 -10.640 3.154 5.180 1.00 0.00 O ATOM 0 H GLU A 14 -7.288 -1.074 6.984 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.156 -0.506 5.020 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.448 0.960 6.874 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.637 1.828 5.363 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.996 0.645 6.894 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.427 2.283 7.147 1.00 0.00 H new ATOM 159 N ILE A 15 -6.042 -0.084 4.013 1.00 0.00 N ATOM 160 CA ILE A 15 -5.200 0.024 2.834 1.00 0.00 C ATOM 161 C ILE A 15 -5.586 -1.068 1.834 1.00 0.00 C ATOM 162 O ILE A 15 -5.628 -0.825 0.629 1.00 0.00 O ATOM 163 CB ILE A 15 -3.722 0.002 3.228 1.00 0.00 C ATOM 164 CG1 ILE A 15 -3.313 1.316 3.896 1.00 0.00 C ATOM 165 CG2 ILE A 15 -2.838 -0.326 2.023 1.00 0.00 C ATOM 166 CD1 ILE A 15 -2.030 1.141 4.712 1.00 0.00 C ATOM 0 H ILE A 15 -5.536 -0.093 4.899 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.360 0.981 2.338 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.576 -0.792 3.961 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.163 2.083 3.136 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.117 1.663 4.545 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.792 -0.335 2.331 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.109 -1.305 1.629 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.982 0.429 1.250 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.762 2.090 5.176 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.191 0.391 5.486 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.223 0.817 4.055 1.00 0.00 H new ATOM 178 N GLU A 16 -5.859 -2.248 2.372 1.00 0.00 N ATOM 179 CA GLU A 16 -6.240 -3.378 1.542 1.00 0.00 C ATOM 180 C GLU A 16 -7.627 -3.149 0.938 1.00 0.00 C ATOM 181 O GLU A 16 -7.817 -3.304 -0.267 1.00 0.00 O ATOM 182 CB GLU A 16 -6.198 -4.683 2.340 1.00 0.00 C ATOM 183 CG GLU A 16 -5.074 -4.655 3.377 1.00 0.00 C ATOM 184 CD GLU A 16 -4.443 -6.040 3.539 1.00 0.00 C ATOM 185 OE1 GLU A 16 -3.752 -6.463 2.588 1.00 0.00 O ATOM 186 OE2 GLU A 16 -4.666 -6.644 4.611 1.00 0.00 O ATOM 0 H GLU A 16 -5.824 -2.446 3.372 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.521 -3.465 0.728 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.154 -4.839 2.839 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.051 -5.524 1.662 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.312 -3.937 3.073 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.467 -4.316 4.336 1.00 0.00 H new ATOM 193 N ASN A 17 -8.562 -2.785 1.804 1.00 0.00 N ATOM 194 CA ASN A 17 -9.926 -2.534 1.372 1.00 0.00 C ATOM 195 C ASN A 17 -9.905 -1.661 0.115 1.00 0.00 C ATOM 196 O ASN A 17 -10.593 -1.956 -0.861 1.00 0.00 O ATOM 197 CB ASN A 17 -10.717 -1.791 2.450 1.00 0.00 C ATOM 198 CG ASN A 17 -11.562 -2.762 3.277 1.00 0.00 C ATOM 199 OD1 ASN A 17 -12.423 -3.463 2.771 1.00 0.00 O ATOM 200 ND2 ASN A 17 -11.269 -2.764 4.574 1.00 0.00 N ATOM 0 H ASN A 17 -8.401 -2.658 2.803 1.00 0.00 H new ATOM 0 HA ASN A 17 -10.400 -3.496 1.175 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.031 -1.253 3.104 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.363 -1.047 1.984 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.777 -3.378 5.211 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.536 -2.152 4.932 1.00 0.00 H new ATOM 207 N ARG A 18 -9.108 -0.605 0.180 1.00 0.00 N ATOM 208 CA ARG A 18 -8.988 0.312 -0.941 1.00 0.00 C ATOM 209 C ARG A 18 -8.583 -0.446 -2.206 1.00 0.00 C ATOM 210 O ARG A 18 -9.146 -0.221 -3.277 1.00 0.00 O ATOM 211 CB ARG A 18 -7.953 1.401 -0.653 1.00 0.00 C ATOM 212 CG ARG A 18 -8.566 2.795 -0.804 1.00 0.00 C ATOM 213 CD ARG A 18 -9.041 3.032 -2.240 1.00 0.00 C ATOM 214 NE ARG A 18 -8.975 4.475 -2.562 1.00 0.00 N ATOM 215 CZ ARG A 18 -9.768 5.405 -2.013 1.00 0.00 C ATOM 216 NH1 ARG A 18 -10.693 5.048 -1.111 1.00 0.00 N ATOM 217 NH2 ARG A 18 -9.638 6.691 -2.365 1.00 0.00 N ATOM 0 H ARG A 18 -8.539 -0.364 0.991 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.960 0.782 -1.091 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.563 1.279 0.358 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.109 1.295 -1.335 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.405 2.904 -0.117 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.830 3.551 -0.531 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.420 2.467 -2.935 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.063 2.671 -2.358 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.282 4.781 -3.245 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.793 4.069 -0.843 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.297 5.755 -0.693 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.935 6.963 -3.052 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.242 7.398 -1.946 1.00 0.00 H new ATOM 231 N ILE A 19 -7.609 -1.329 -2.042 1.00 0.00 N ATOM 232 CA ILE A 19 -7.121 -2.122 -3.158 1.00 0.00 C ATOM 233 C ILE A 19 -8.272 -2.955 -3.727 1.00 0.00 C ATOM 234 O ILE A 19 -8.385 -3.115 -4.942 1.00 0.00 O ATOM 235 CB ILE A 19 -5.910 -2.955 -2.735 1.00 0.00 C ATOM 236 CG1 ILE A 19 -4.719 -2.056 -2.393 1.00 0.00 C ATOM 237 CG2 ILE A 19 -5.557 -3.991 -3.803 1.00 0.00 C ATOM 238 CD1 ILE A 19 -3.897 -2.649 -1.247 1.00 0.00 C ATOM 0 H ILE A 19 -7.144 -1.513 -1.153 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.768 -1.474 -3.960 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.172 -3.502 -1.829 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.087 -1.933 -3.273 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.075 -1.064 -2.115 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.693 -4.570 -3.477 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.404 -4.659 -3.956 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.322 -3.484 -4.739 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.057 -1.991 -1.023 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.525 -2.748 -0.362 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.522 -3.630 -1.538 1.00 0.00 H new ATOM 250 N ILE A 20 -9.096 -3.463 -2.823 1.00 0.00 N ATOM 251 CA ILE A 20 -10.233 -4.276 -3.220 1.00 0.00 C ATOM 252 C ILE A 20 -11.130 -3.466 -4.158 1.00 0.00 C ATOM 253 O ILE A 20 -11.432 -3.905 -5.266 1.00 0.00 O ATOM 254 CB ILE A 20 -10.961 -4.817 -1.988 1.00 0.00 C ATOM 255 CG1 ILE A 20 -9.991 -5.542 -1.052 1.00 0.00 C ATOM 256 CG2 ILE A 20 -12.139 -5.705 -2.393 1.00 0.00 C ATOM 257 CD1 ILE A 20 -9.013 -6.412 -1.844 1.00 0.00 C ATOM 0 H ILE A 20 -8.999 -3.327 -1.817 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.899 -5.153 -3.775 1.00 0.00 H new ATOM 0 HB ILE A 20 -11.371 -3.972 -1.435 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.438 -4.813 -0.460 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.551 -6.162 -0.352 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -12.639 -6.076 -1.499 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -12.844 -5.125 -2.989 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -11.774 -6.547 -2.981 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.335 -6.916 -1.156 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.568 -7.155 -2.416 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.438 -5.785 -2.526 1.00 0.00 H new ATOM 269 N GLU A 21 -11.531 -2.297 -3.679 1.00 0.00 N ATOM 270 CA GLU A 21 -12.388 -1.422 -4.461 1.00 0.00 C ATOM 271 C GLU A 21 -11.791 -1.200 -5.852 1.00 0.00 C ATOM 272 O GLU A 21 -12.523 -1.100 -6.836 1.00 0.00 O ATOM 273 CB GLU A 21 -12.613 -0.090 -3.742 1.00 0.00 C ATOM 274 CG GLU A 21 -13.924 -0.108 -2.953 1.00 0.00 C ATOM 275 CD GLU A 21 -14.816 1.071 -3.344 1.00 0.00 C ATOM 276 OE1 GLU A 21 -14.686 1.521 -4.504 1.00 0.00 O ATOM 277 OE2 GLU A 21 -15.608 1.497 -2.476 1.00 0.00 O ATOM 0 H GLU A 21 -11.278 -1.936 -2.759 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.359 -1.904 -4.576 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.781 0.108 -3.067 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -12.633 0.721 -4.470 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -14.451 -1.044 -3.138 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.710 -0.068 -1.885 1.00 0.00 H new ATOM 284 N LEU A 22 -10.469 -1.130 -5.890 1.00 0.00 N ATOM 285 CA LEU A 22 -9.766 -0.922 -7.144 1.00 0.00 C ATOM 286 C LEU A 22 -9.786 -2.219 -7.956 1.00 0.00 C ATOM 287 O LEU A 22 -10.250 -2.235 -9.095 1.00 0.00 O ATOM 288 CB LEU A 22 -8.359 -0.379 -6.886 1.00 0.00 C ATOM 289 CG LEU A 22 -8.176 1.128 -7.073 1.00 0.00 C ATOM 290 CD1 LEU A 22 -7.520 1.758 -5.843 1.00 0.00 C ATOM 291 CD2 LEU A 22 -7.399 1.432 -8.356 1.00 0.00 C ATOM 0 H LEU A 22 -9.866 -1.214 -5.072 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.270 -0.163 -7.742 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.074 -0.636 -5.866 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.665 -0.894 -7.550 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.162 1.580 -7.179 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.402 2.830 -6.003 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.148 1.589 -4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.542 1.305 -5.680 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.283 2.510 -8.464 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.416 0.965 -8.305 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.944 1.038 -9.214 1.00 0.00 H new ATOM 303 N CYS A 23 -9.276 -3.274 -7.338 1.00 0.00 N ATOM 304 CA CYS A 23 -9.229 -4.572 -7.990 1.00 0.00 C ATOM 305 C CYS A 23 -10.612 -4.865 -8.576 1.00 0.00 C ATOM 306 O CYS A 23 -10.729 -5.578 -9.572 1.00 0.00 O ATOM 307 CB CYS A 23 -8.773 -5.671 -7.028 1.00 0.00 C ATOM 308 SG CYS A 23 -7.109 -5.280 -6.375 1.00 0.00 S ATOM 0 H CYS A 23 -8.892 -3.257 -6.393 1.00 0.00 H new ATOM 0 HA CYS A 23 -8.492 -4.553 -8.793 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.483 -5.764 -6.206 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.754 -6.632 -7.543 1.00 0.00 H new ATOM 0 HG CYS A 23 -7.151 -4.155 -5.724 1.00 0.00 H new ATOM 314 N HIS A 24 -11.624 -4.300 -7.935 1.00 0.00 N ATOM 315 CA HIS A 24 -12.993 -4.491 -8.381 1.00 0.00 C ATOM 316 C HIS A 24 -13.290 -3.548 -9.548 1.00 0.00 C ATOM 317 O HIS A 24 -14.011 -3.911 -10.476 1.00 0.00 O ATOM 318 CB HIS A 24 -13.972 -4.320 -7.217 1.00 0.00 C ATOM 319 CG HIS A 24 -14.364 -5.617 -6.549 1.00 0.00 C ATOM 320 ND1 HIS A 24 -14.608 -6.781 -7.256 1.00 0.00 N ATOM 321 CD2 HIS A 24 -14.551 -5.919 -5.232 1.00 0.00 C ATOM 322 CE1 HIS A 24 -14.927 -7.735 -6.394 1.00 0.00 C ATOM 323 NE2 HIS A 24 -14.892 -7.199 -5.140 1.00 0.00 N ATOM 0 H HIS A 24 -11.523 -3.709 -7.110 1.00 0.00 H new ATOM 0 HA HIS A 24 -13.122 -5.511 -8.742 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -13.525 -3.661 -6.473 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -14.872 -3.825 -7.582 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -14.440 -5.234 -4.405 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -15.172 -8.758 -6.641 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -15.094 -7.699 -4.274 1.00 0.00 H new ATOM 331 N GLN A 25 -12.718 -2.356 -9.464 1.00 0.00 N ATOM 332 CA GLN A 25 -12.911 -1.358 -10.502 1.00 0.00 C ATOM 333 C GLN A 25 -12.226 -1.800 -11.797 1.00 0.00 C ATOM 334 O GLN A 25 -12.686 -1.471 -12.890 1.00 0.00 O ATOM 335 CB GLN A 25 -12.398 0.010 -10.050 1.00 0.00 C ATOM 336 CG GLN A 25 -13.545 0.882 -9.532 1.00 0.00 C ATOM 337 CD GLN A 25 -14.637 1.038 -10.592 1.00 0.00 C ATOM 338 OE1 GLN A 25 -15.691 0.427 -10.530 1.00 0.00 O ATOM 339 NE2 GLN A 25 -14.326 1.888 -11.567 1.00 0.00 N ATOM 0 H GLN A 25 -12.120 -2.059 -8.693 1.00 0.00 H new ATOM 0 HA GLN A 25 -13.980 -1.263 -10.693 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.651 -0.118 -9.266 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.903 0.510 -10.883 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.968 0.436 -8.632 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.162 1.863 -9.252 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.425 2.367 -11.558 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -14.988 2.061 -12.323 1.00 0.00 H new ATOM 348 N PHE A 26 -11.138 -2.537 -11.632 1.00 0.00 N ATOM 349 CA PHE A 26 -10.386 -3.027 -12.774 1.00 0.00 C ATOM 350 C PHE A 26 -10.317 -4.555 -12.772 1.00 0.00 C ATOM 351 O PHE A 26 -9.574 -5.146 -11.990 1.00 0.00 O ATOM 352 CB PHE A 26 -8.968 -2.465 -12.651 1.00 0.00 C ATOM 353 CG PHE A 26 -8.905 -0.936 -12.619 1.00 0.00 C ATOM 354 CD1 PHE A 26 -9.163 -0.269 -11.462 1.00 0.00 C ATOM 355 CD2 PHE A 26 -8.592 -0.245 -13.747 1.00 0.00 C ATOM 356 CE1 PHE A 26 -9.105 1.150 -11.433 1.00 0.00 C ATOM 357 CE2 PHE A 26 -8.534 1.173 -13.718 1.00 0.00 C ATOM 358 CZ PHE A 26 -8.792 1.841 -12.561 1.00 0.00 C ATOM 0 H PHE A 26 -10.759 -2.807 -10.724 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.870 -2.713 -13.699 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.511 -2.856 -11.742 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.371 -2.826 -13.489 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -9.412 -0.818 -10.566 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -8.387 -0.775 -14.665 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -9.310 1.680 -10.515 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -8.285 1.722 -14.614 1.00 0.00 H new ATOM 0 HZ PHE A 26 -8.748 2.920 -12.539 1.00 0.00 H new ATOM 368 N PRO A 27 -11.124 -5.169 -13.678 1.00 0.00 N ATOM 369 CA PRO A 27 -11.162 -6.617 -13.788 1.00 0.00 C ATOM 370 C PRO A 27 -9.911 -7.147 -14.491 1.00 0.00 C ATOM 371 O PRO A 27 -9.593 -8.331 -14.390 1.00 0.00 O ATOM 372 CB PRO A 27 -12.444 -6.921 -14.546 1.00 0.00 C ATOM 373 CG PRO A 27 -12.837 -5.625 -15.237 1.00 0.00 C ATOM 374 CD PRO A 27 -12.018 -4.502 -14.620 1.00 0.00 C ATOM 0 HA PRO A 27 -11.163 -7.112 -12.817 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.289 -7.719 -15.272 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.229 -7.256 -13.868 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.648 -5.691 -16.309 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -13.903 -5.434 -15.112 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.458 -3.957 -15.380 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.657 -3.778 -14.115 1.00 0.00 H new ATOM 382 N HIS A 28 -9.236 -6.245 -15.187 1.00 0.00 N ATOM 383 CA HIS A 28 -8.027 -6.606 -15.907 1.00 0.00 C ATOM 384 C HIS A 28 -6.828 -6.551 -14.958 1.00 0.00 C ATOM 385 O HIS A 28 -5.879 -7.320 -15.105 1.00 0.00 O ATOM 386 CB HIS A 28 -7.845 -5.723 -17.143 1.00 0.00 C ATOM 387 CG HIS A 28 -9.087 -5.594 -17.993 1.00 0.00 C ATOM 388 ND1 HIS A 28 -9.773 -6.689 -18.489 1.00 0.00 N ATOM 389 CD2 HIS A 28 -9.758 -4.489 -18.429 1.00 0.00 C ATOM 390 CE1 HIS A 28 -10.808 -6.251 -19.191 1.00 0.00 C ATOM 391 NE2 HIS A 28 -10.797 -4.887 -19.152 1.00 0.00 N ATOM 0 H HIS A 28 -9.503 -5.264 -15.268 1.00 0.00 H new ATOM 0 HA HIS A 28 -8.111 -7.629 -16.273 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.530 -4.729 -16.824 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -7.040 -6.132 -17.754 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.489 -3.464 -18.221 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.533 -6.866 -19.704 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -11.476 -4.274 -19.604 1.00 0.00 H new ATOM 399 N GLY A 29 -6.911 -5.634 -14.005 1.00 0.00 N ATOM 400 CA GLY A 29 -5.845 -5.468 -13.032 1.00 0.00 C ATOM 401 C GLY A 29 -5.428 -4.000 -12.921 1.00 0.00 C ATOM 402 O GLY A 29 -5.924 -3.152 -13.661 1.00 0.00 O ATOM 0 H GLY A 29 -7.700 -4.998 -13.886 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.176 -5.830 -12.059 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.986 -6.073 -13.322 1.00 0.00 H new ATOM 406 N ILE A 30 -4.521 -3.744 -11.989 1.00 0.00 N ATOM 407 CA ILE A 30 -4.032 -2.394 -11.771 1.00 0.00 C ATOM 408 C ILE A 30 -2.505 -2.418 -11.674 1.00 0.00 C ATOM 409 O ILE A 30 -1.915 -3.454 -11.370 1.00 0.00 O ATOM 410 CB ILE A 30 -4.715 -1.766 -10.554 1.00 0.00 C ATOM 411 CG1 ILE A 30 -4.225 -2.412 -9.257 1.00 0.00 C ATOM 412 CG2 ILE A 30 -6.238 -1.830 -10.687 1.00 0.00 C ATOM 413 CD1 ILE A 30 -5.062 -1.948 -8.063 1.00 0.00 C ATOM 0 H ILE A 30 -4.112 -4.450 -11.376 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.288 -1.756 -12.617 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.439 -0.712 -10.513 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.279 -3.497 -9.344 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.178 -2.157 -9.093 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.699 -1.377 -9.809 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.548 -1.288 -11.580 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.553 -2.871 -10.766 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.693 -2.422 -7.154 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.986 -0.865 -7.964 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.104 -2.226 -8.219 1.00 0.00 H new ATOM 425 N THR A 31 -1.908 -1.265 -11.939 1.00 0.00 N ATOM 426 CA THR A 31 -0.462 -1.141 -11.886 1.00 0.00 C ATOM 427 C THR A 31 -0.045 -0.264 -10.704 1.00 0.00 C ATOM 428 O THR A 31 -0.752 0.676 -10.345 1.00 0.00 O ATOM 429 CB THR A 31 0.017 -0.608 -13.237 1.00 0.00 C ATOM 430 OG1 THR A 31 -0.545 0.699 -13.314 1.00 0.00 O ATOM 431 CG2 THR A 31 -0.610 -1.354 -14.417 1.00 0.00 C ATOM 0 H THR A 31 -2.400 -0.408 -12.191 1.00 0.00 H new ATOM 0 HA THR A 31 0.012 -2.108 -11.716 1.00 0.00 H new ATOM 0 HB THR A 31 1.103 -0.687 -13.294 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.283 1.119 -14.160 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.236 -0.936 -15.352 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.347 -2.410 -14.361 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.694 -1.248 -14.380 1.00 0.00 H new ATOM 439 N ASP A 32 1.102 -0.602 -10.132 1.00 0.00 N ATOM 440 CA ASP A 32 1.621 0.144 -8.999 1.00 0.00 C ATOM 441 C ASP A 32 1.439 1.642 -9.252 1.00 0.00 C ATOM 442 O ASP A 32 1.277 2.419 -8.312 1.00 0.00 O ATOM 443 CB ASP A 32 3.115 -0.123 -8.801 1.00 0.00 C ATOM 444 CG ASP A 32 3.795 0.752 -7.747 1.00 0.00 C ATOM 445 OD1 ASP A 32 3.783 0.334 -6.569 1.00 0.00 O ATOM 446 OD2 ASP A 32 4.310 1.820 -8.143 1.00 0.00 O ATOM 0 H ASP A 32 1.686 -1.382 -10.432 1.00 0.00 H new ATOM 0 HA ASP A 32 1.076 -0.173 -8.110 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.248 -1.169 -8.524 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.624 0.021 -9.754 1.00 0.00 H new ATOM 451 N GLN A 33 1.470 2.002 -10.527 1.00 0.00 N ATOM 452 CA GLN A 33 1.310 3.393 -10.915 1.00 0.00 C ATOM 453 C GLN A 33 -0.088 3.890 -10.544 1.00 0.00 C ATOM 454 O GLN A 33 -0.231 4.926 -9.896 1.00 0.00 O ATOM 455 CB GLN A 33 1.579 3.579 -12.410 1.00 0.00 C ATOM 456 CG GLN A 33 1.921 5.036 -12.728 1.00 0.00 C ATOM 457 CD GLN A 33 3.428 5.218 -12.918 1.00 0.00 C ATOM 458 OE1 GLN A 33 3.974 5.012 -13.989 1.00 0.00 O ATOM 459 NE2 GLN A 33 4.068 5.613 -11.821 1.00 0.00 N ATOM 0 H GLN A 33 1.603 1.355 -11.304 1.00 0.00 H new ATOM 0 HA GLN A 33 2.042 3.989 -10.370 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.401 2.933 -12.718 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.702 3.274 -12.982 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.397 5.347 -13.632 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.573 5.679 -11.920 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.550 5.768 -10.956 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.077 5.761 -11.845 1.00 0.00 H new ATOM 468 N VAL A 34 -1.085 3.129 -10.971 1.00 0.00 N ATOM 469 CA VAL A 34 -2.467 3.479 -10.692 1.00 0.00 C ATOM 470 C VAL A 34 -2.624 3.766 -9.197 1.00 0.00 C ATOM 471 O VAL A 34 -2.884 4.901 -8.803 1.00 0.00 O ATOM 472 CB VAL A 34 -3.399 2.372 -11.189 1.00 0.00 C ATOM 473 CG1 VAL A 34 -4.804 2.536 -10.608 1.00 0.00 C ATOM 474 CG2 VAL A 34 -3.438 2.334 -12.718 1.00 0.00 C ATOM 0 H VAL A 34 -0.963 2.271 -11.509 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.747 4.386 -11.229 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.002 1.418 -10.840 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.446 1.736 -10.977 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.756 2.489 -9.520 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.213 3.499 -10.912 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.108 1.539 -13.045 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.798 3.290 -13.097 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.436 2.146 -13.103 1.00 0.00 H new ATOM 484 N ILE A 35 -2.460 2.716 -8.405 1.00 0.00 N ATOM 485 CA ILE A 35 -2.580 2.840 -6.963 1.00 0.00 C ATOM 486 C ILE A 35 -1.817 4.082 -6.497 1.00 0.00 C ATOM 487 O ILE A 35 -2.172 4.691 -5.489 1.00 0.00 O ATOM 488 CB ILE A 35 -2.131 1.550 -6.274 1.00 0.00 C ATOM 489 CG1 ILE A 35 -3.053 0.384 -6.640 1.00 0.00 C ATOM 490 CG2 ILE A 35 -2.026 1.744 -4.760 1.00 0.00 C ATOM 491 CD1 ILE A 35 -2.293 -0.943 -6.619 1.00 0.00 C ATOM 0 H ILE A 35 -2.245 1.775 -8.736 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.623 2.980 -6.679 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.134 1.299 -6.636 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.887 0.341 -5.939 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.478 0.548 -7.630 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.705 0.812 -4.295 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.299 2.527 -4.543 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.999 2.032 -4.362 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.971 -1.755 -6.883 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.475 -0.905 -7.339 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.890 -1.116 -5.621 1.00 0.00 H new ATOM 503 N GLN A 36 -0.784 4.421 -7.254 1.00 0.00 N ATOM 504 CA GLN A 36 0.032 5.580 -6.931 1.00 0.00 C ATOM 505 C GLN A 36 -0.789 6.863 -7.072 1.00 0.00 C ATOM 506 O GLN A 36 -0.805 7.697 -6.168 1.00 0.00 O ATOM 507 CB GLN A 36 1.284 5.631 -7.809 1.00 0.00 C ATOM 508 CG GLN A 36 2.496 6.112 -7.009 1.00 0.00 C ATOM 509 CD GLN A 36 3.743 6.183 -7.893 1.00 0.00 C ATOM 510 OE1 GLN A 36 3.857 5.512 -8.905 1.00 0.00 O ATOM 511 NE2 GLN A 36 4.669 7.031 -7.454 1.00 0.00 N ATOM 0 H GLN A 36 -0.493 3.914 -8.090 1.00 0.00 H new ATOM 0 HA GLN A 36 0.358 5.493 -5.895 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.485 4.642 -8.220 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.113 6.299 -8.654 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.290 7.095 -6.585 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.676 5.436 -6.173 1.00 0.00 H new ATOM 0 HE21 GLN A 36 4.509 7.562 -6.598 1.00 0.00 H new ATOM 0 HE22 GLN A 36 5.539 7.150 -7.973 1.00 0.00 H new ATOM 520 N ASN A 37 -1.451 6.981 -8.214 1.00 0.00 N ATOM 521 CA ASN A 37 -2.273 8.149 -8.485 1.00 0.00 C ATOM 522 C ASN A 37 -3.516 8.111 -7.594 1.00 0.00 C ATOM 523 O ASN A 37 -4.158 9.136 -7.374 1.00 0.00 O ATOM 524 CB ASN A 37 -2.736 8.170 -9.943 1.00 0.00 C ATOM 525 CG ASN A 37 -2.309 9.466 -10.636 1.00 0.00 C ATOM 526 OD1 ASN A 37 -2.793 10.546 -10.341 1.00 0.00 O ATOM 527 ND2 ASN A 37 -1.378 9.298 -11.570 1.00 0.00 N ATOM 0 H ASN A 37 -1.435 6.288 -8.962 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.674 9.037 -8.284 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.317 7.315 -10.474 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.821 8.071 -9.985 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.026 10.102 -12.090 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.016 8.365 -11.767 1.00 0.00 H new ATOM 534 N GLU A 38 -3.818 6.916 -7.106 1.00 0.00 N ATOM 535 CA GLU A 38 -4.974 6.731 -6.245 1.00 0.00 C ATOM 536 C GLU A 38 -4.605 7.034 -4.791 1.00 0.00 C ATOM 537 O GLU A 38 -5.361 7.694 -4.080 1.00 0.00 O ATOM 538 CB GLU A 38 -5.540 5.316 -6.384 1.00 0.00 C ATOM 539 CG GLU A 38 -6.041 5.064 -7.807 1.00 0.00 C ATOM 540 CD GLU A 38 -7.219 5.980 -8.144 1.00 0.00 C ATOM 541 OE1 GLU A 38 -8.236 5.886 -7.424 1.00 0.00 O ATOM 542 OE2 GLU A 38 -7.075 6.755 -9.115 1.00 0.00 O ATOM 0 H GLU A 38 -3.283 6.068 -7.290 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.751 7.429 -6.556 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.771 4.586 -6.131 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.357 5.176 -5.677 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.231 5.232 -8.517 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.345 4.022 -7.910 1.00 0.00 H new ATOM 549 N MET A 39 -3.444 6.536 -4.392 1.00 0.00 N ATOM 550 CA MET A 39 -2.966 6.745 -3.036 1.00 0.00 C ATOM 551 C MET A 39 -1.446 6.916 -3.011 1.00 0.00 C ATOM 552 O MET A 39 -0.727 6.042 -2.529 1.00 0.00 O ATOM 553 CB MET A 39 -3.360 5.550 -2.166 1.00 0.00 C ATOM 554 CG MET A 39 -4.783 5.086 -2.483 1.00 0.00 C ATOM 555 SD MET A 39 -5.362 3.977 -1.210 1.00 0.00 S ATOM 556 CE MET A 39 -4.644 2.446 -1.784 1.00 0.00 C ATOM 0 H MET A 39 -2.820 5.988 -4.984 1.00 0.00 H new ATOM 0 HA MET A 39 -3.422 7.655 -2.646 1.00 0.00 H new ATOM 0 HB2 MET A 39 -2.661 4.730 -2.331 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.289 5.823 -1.113 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.447 5.947 -2.556 1.00 0.00 H new ATOM 0 HG3 MET A 39 -4.804 4.584 -3.451 1.00 0.00 H new ATOM 0 HE1 MET A 39 -4.833 1.659 -1.054 1.00 0.00 H new ATOM 0 HE2 MET A 39 -5.091 2.170 -2.739 1.00 0.00 H new ATOM 0 HE3 MET A 39 -3.569 2.573 -1.910 1.00 0.00 H new ATOM 566 N PRO A 40 -0.989 8.079 -3.549 1.00 0.00 N ATOM 567 CA PRO A 40 0.432 8.376 -3.593 1.00 0.00 C ATOM 568 C PRO A 40 0.952 8.773 -2.209 1.00 0.00 C ATOM 569 O PRO A 40 2.135 9.068 -2.048 1.00 0.00 O ATOM 570 CB PRO A 40 0.570 9.487 -4.620 1.00 0.00 C ATOM 571 CG PRO A 40 -0.817 10.089 -4.773 1.00 0.00 C ATOM 572 CD PRO A 40 -1.811 9.137 -4.129 1.00 0.00 C ATOM 0 HA PRO A 40 1.034 7.513 -3.877 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.287 10.238 -4.289 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.933 9.097 -5.571 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.863 11.068 -4.297 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.056 10.235 -5.826 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.404 9.641 -3.366 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.510 8.738 -4.864 1.00 0.00 H new ATOM 580 N HIS A 41 0.042 8.767 -1.247 1.00 0.00 N ATOM 581 CA HIS A 41 0.394 9.123 0.118 1.00 0.00 C ATOM 582 C HIS A 41 0.745 7.858 0.903 1.00 0.00 C ATOM 583 O HIS A 41 1.246 7.938 2.024 1.00 0.00 O ATOM 584 CB HIS A 41 -0.725 9.936 0.772 1.00 0.00 C ATOM 585 CG HIS A 41 -2.039 9.200 0.877 1.00 0.00 C ATOM 586 ND1 HIS A 41 -3.050 9.335 -0.058 1.00 0.00 N ATOM 587 CD2 HIS A 41 -2.496 8.321 1.815 1.00 0.00 C ATOM 588 CE1 HIS A 41 -4.066 8.568 0.311 1.00 0.00 C ATOM 589 NE2 HIS A 41 -3.720 7.941 1.472 1.00 0.00 N ATOM 0 H HIS A 41 -0.938 8.521 -1.385 1.00 0.00 H new ATOM 0 HA HIS A 41 1.276 9.764 0.116 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -0.407 10.235 1.771 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -0.878 10.851 0.199 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -1.953 7.991 2.688 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -5.003 8.459 -0.215 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -4.306 7.287 1.991 1.00 0.00 H new ATOM 597 N ILE A 42 0.468 6.719 0.285 1.00 0.00 N ATOM 598 CA ILE A 42 0.748 5.439 0.912 1.00 0.00 C ATOM 599 C ILE A 42 2.257 5.186 0.893 1.00 0.00 C ATOM 600 O ILE A 42 2.974 5.751 0.069 1.00 0.00 O ATOM 601 CB ILE A 42 -0.070 4.328 0.251 1.00 0.00 C ATOM 602 CG1 ILE A 42 -1.570 4.607 0.370 1.00 0.00 C ATOM 603 CG2 ILE A 42 0.305 2.958 0.821 1.00 0.00 C ATOM 604 CD1 ILE A 42 -2.138 4.014 1.661 1.00 0.00 C ATOM 0 H ILE A 42 0.052 6.656 -0.644 1.00 0.00 H new ATOM 0 HA ILE A 42 0.439 5.451 1.957 1.00 0.00 H new ATOM 0 HB ILE A 42 0.171 4.312 -0.812 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.746 5.683 0.352 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.091 4.184 -0.489 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.291 2.186 0.334 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.363 2.767 0.642 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.110 2.944 1.893 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.205 4.227 1.720 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.982 2.935 1.665 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.632 4.457 2.519 1.00 0.00 H new ATOM 616 N GLU A 43 2.694 4.336 1.811 1.00 0.00 N ATOM 617 CA GLU A 43 4.105 4.002 1.910 1.00 0.00 C ATOM 618 C GLU A 43 4.446 2.854 0.957 1.00 0.00 C ATOM 619 O GLU A 43 3.569 2.083 0.569 1.00 0.00 O ATOM 620 CB GLU A 43 4.485 3.652 3.349 1.00 0.00 C ATOM 621 CG GLU A 43 4.865 4.907 4.137 1.00 0.00 C ATOM 622 CD GLU A 43 6.136 4.677 4.957 1.00 0.00 C ATOM 623 OE1 GLU A 43 6.020 4.014 6.010 1.00 0.00 O ATOM 624 OE2 GLU A 43 7.195 5.170 4.511 1.00 0.00 O ATOM 0 H GLU A 43 2.096 3.869 2.493 1.00 0.00 H new ATOM 0 HA GLU A 43 4.688 4.876 1.618 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.650 3.151 3.838 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.321 2.952 3.348 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.017 5.740 3.450 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.046 5.186 4.800 1.00 0.00 H new ATOM 631 N ALA A 44 5.721 2.776 0.609 1.00 0.00 N ATOM 632 CA ALA A 44 6.189 1.735 -0.291 1.00 0.00 C ATOM 633 C ALA A 44 5.941 0.367 0.347 1.00 0.00 C ATOM 634 O ALA A 44 5.556 -0.581 -0.337 1.00 0.00 O ATOM 635 CB ALA A 44 7.666 1.967 -0.616 1.00 0.00 C ATOM 0 H ALA A 44 6.445 3.416 0.934 1.00 0.00 H new ATOM 0 HA ALA A 44 5.639 1.765 -1.232 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.017 1.186 -1.291 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.785 2.940 -1.093 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.250 1.940 0.304 1.00 0.00 H new ATOM 641 N GLN A 45 6.170 0.306 1.650 1.00 0.00 N ATOM 642 CA GLN A 45 5.976 -0.930 2.388 1.00 0.00 C ATOM 643 C GLN A 45 4.485 -1.172 2.637 1.00 0.00 C ATOM 644 O GLN A 45 4.002 -2.293 2.490 1.00 0.00 O ATOM 645 CB GLN A 45 6.755 -0.912 3.704 1.00 0.00 C ATOM 646 CG GLN A 45 8.113 -1.600 3.548 1.00 0.00 C ATOM 647 CD GLN A 45 9.082 -1.158 4.646 1.00 0.00 C ATOM 648 OE1 GLN A 45 8.989 -1.564 5.792 1.00 0.00 O ATOM 649 NE2 GLN A 45 10.015 -0.305 4.233 1.00 0.00 N ATOM 0 H GLN A 45 6.489 1.094 2.214 1.00 0.00 H new ATOM 0 HA GLN A 45 6.363 -1.753 1.787 1.00 0.00 H new ATOM 0 HB2 GLN A 45 6.901 0.118 4.030 1.00 0.00 H new ATOM 0 HB3 GLN A 45 6.176 -1.413 4.480 1.00 0.00 H new ATOM 0 HG2 GLN A 45 7.983 -2.682 3.587 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.534 -1.364 2.570 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.036 -0.005 3.258 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.709 0.049 4.891 1.00 0.00 H new ATOM 658 N GLN A 46 3.799 -0.101 3.009 1.00 0.00 N ATOM 659 CA GLN A 46 2.374 -0.182 3.279 1.00 0.00 C ATOM 660 C GLN A 46 1.622 -0.646 2.030 1.00 0.00 C ATOM 661 O GLN A 46 0.690 -1.443 2.122 1.00 0.00 O ATOM 662 CB GLN A 46 1.833 1.159 3.778 1.00 0.00 C ATOM 663 CG GLN A 46 2.445 1.528 5.131 1.00 0.00 C ATOM 664 CD GLN A 46 1.731 0.799 6.272 1.00 0.00 C ATOM 665 OE1 GLN A 46 2.172 -0.230 6.757 1.00 0.00 O ATOM 666 NE2 GLN A 46 0.608 1.389 6.672 1.00 0.00 N ATOM 0 H GLN A 46 4.204 0.827 3.130 1.00 0.00 H new ATOM 0 HA GLN A 46 2.215 -0.917 4.068 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.055 1.939 3.049 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.748 1.107 3.868 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.504 1.272 5.137 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.377 2.605 5.284 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.296 2.250 6.222 1.00 0.00 H new ATOM 0 HE22 GLN A 46 0.059 0.981 7.429 1.00 0.00 H new ATOM 675 N ARG A 47 2.056 -0.127 0.891 1.00 0.00 N ATOM 676 CA ARG A 47 1.435 -0.478 -0.375 1.00 0.00 C ATOM 677 C ARG A 47 1.658 -1.960 -0.683 1.00 0.00 C ATOM 678 O ARG A 47 0.724 -2.667 -1.060 1.00 0.00 O ATOM 679 CB ARG A 47 2.004 0.364 -1.520 1.00 0.00 C ATOM 680 CG ARG A 47 0.960 1.352 -2.044 1.00 0.00 C ATOM 681 CD ARG A 47 1.271 1.764 -3.485 1.00 0.00 C ATOM 682 NE ARG A 47 1.703 3.179 -3.524 1.00 0.00 N ATOM 683 CZ ARG A 47 2.959 3.587 -3.297 1.00 0.00 C ATOM 684 NH1 ARG A 47 3.914 2.691 -3.013 1.00 0.00 N ATOM 685 NH2 ARG A 47 3.260 4.892 -3.354 1.00 0.00 N ATOM 0 H ARG A 47 2.830 0.534 0.818 1.00 0.00 H new ATOM 0 HA ARG A 47 0.367 -0.278 -0.287 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.883 0.908 -1.175 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.331 -0.289 -2.329 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.030 0.899 -1.997 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.937 2.235 -1.406 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.053 1.125 -3.894 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.388 1.627 -4.110 1.00 0.00 H new ATOM 0 HE ARG A 47 1.001 3.888 -3.737 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.685 1.698 -2.970 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.870 3.002 -2.840 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.533 5.574 -3.570 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.216 5.203 -3.181 1.00 0.00 H new ATOM 699 N ALA A 48 2.900 -2.388 -0.510 1.00 0.00 N ATOM 700 CA ALA A 48 3.257 -3.773 -0.764 1.00 0.00 C ATOM 701 C ALA A 48 2.587 -4.668 0.281 1.00 0.00 C ATOM 702 O ALA A 48 1.930 -5.648 -0.065 1.00 0.00 O ATOM 703 CB ALA A 48 4.780 -3.916 -0.764 1.00 0.00 C ATOM 0 H ALA A 48 3.672 -1.799 -0.197 1.00 0.00 H new ATOM 0 HA ALA A 48 2.900 -4.088 -1.745 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.048 -4.955 -0.955 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.205 -3.283 -1.543 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.174 -3.612 0.206 1.00 0.00 H new ATOM 709 N VAL A 49 2.777 -4.298 1.539 1.00 0.00 N ATOM 710 CA VAL A 49 2.199 -5.055 2.637 1.00 0.00 C ATOM 711 C VAL A 49 0.773 -5.470 2.270 1.00 0.00 C ATOM 712 O VAL A 49 0.496 -6.653 2.084 1.00 0.00 O ATOM 713 CB VAL A 49 2.271 -4.239 3.929 1.00 0.00 C ATOM 714 CG1 VAL A 49 1.194 -4.686 4.920 1.00 0.00 C ATOM 715 CG2 VAL A 49 3.663 -4.327 4.557 1.00 0.00 C ATOM 0 H VAL A 49 3.323 -3.484 1.823 1.00 0.00 H new ATOM 0 HA VAL A 49 2.768 -5.968 2.813 1.00 0.00 H new ATOM 0 HB VAL A 49 2.083 -3.195 3.677 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.267 -4.090 5.830 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.209 -4.548 4.474 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.338 -5.739 5.163 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.686 -3.738 5.474 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.893 -5.367 4.788 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.403 -3.939 3.857 1.00 0.00 H new ATOM 725 N ALA A 50 -0.094 -4.472 2.176 1.00 0.00 N ATOM 726 CA ALA A 50 -1.484 -4.718 1.835 1.00 0.00 C ATOM 727 C ALA A 50 -1.551 -5.694 0.658 1.00 0.00 C ATOM 728 O ALA A 50 -2.284 -6.681 0.706 1.00 0.00 O ATOM 729 CB ALA A 50 -2.178 -3.389 1.530 1.00 0.00 C ATOM 0 H ALA A 50 0.140 -3.491 2.330 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.009 -5.175 2.673 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.221 -3.574 1.274 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.128 -2.743 2.407 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.679 -2.902 0.692 1.00 0.00 H new ATOM 735 N ILE A 51 -0.775 -5.385 -0.371 1.00 0.00 N ATOM 736 CA ILE A 51 -0.737 -6.222 -1.557 1.00 0.00 C ATOM 737 C ILE A 51 -0.390 -7.657 -1.153 1.00 0.00 C ATOM 738 O ILE A 51 -1.189 -8.571 -1.350 1.00 0.00 O ATOM 739 CB ILE A 51 0.214 -5.631 -2.600 1.00 0.00 C ATOM 740 CG1 ILE A 51 -0.423 -4.430 -3.303 1.00 0.00 C ATOM 741 CG2 ILE A 51 0.672 -6.700 -3.594 1.00 0.00 C ATOM 742 CD1 ILE A 51 0.639 -3.579 -4.003 1.00 0.00 C ATOM 0 H ILE A 51 -0.168 -4.566 -0.407 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.717 -6.252 -2.033 1.00 0.00 H new ATOM 0 HB ILE A 51 1.104 -5.269 -2.085 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.155 -4.777 -4.032 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.961 -3.822 -2.576 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.347 -6.253 -4.324 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.191 -7.495 -3.059 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.195 -7.114 -4.108 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.160 -2.732 -4.495 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.356 -3.214 -3.267 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.158 -4.184 -4.746 1.00 0.00 H new ATOM 754 N ASN A 52 0.802 -7.809 -0.596 1.00 0.00 N ATOM 755 CA ASN A 52 1.264 -9.116 -0.162 1.00 0.00 C ATOM 756 C ASN A 52 0.155 -9.806 0.634 1.00 0.00 C ATOM 757 O ASN A 52 -0.208 -10.944 0.341 1.00 0.00 O ATOM 758 CB ASN A 52 2.491 -8.994 0.745 1.00 0.00 C ATOM 759 CG ASN A 52 3.510 -10.093 0.439 1.00 0.00 C ATOM 760 OD1 ASN A 52 3.190 -11.140 -0.101 1.00 0.00 O ATOM 761 ND2 ASN A 52 4.752 -9.799 0.814 1.00 0.00 N ATOM 0 H ASN A 52 1.462 -7.048 -0.435 1.00 0.00 H new ATOM 0 HA ASN A 52 1.527 -9.692 -1.049 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.953 -8.016 0.608 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.184 -9.058 1.789 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.505 -10.468 0.654 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.951 -8.904 1.261 1.00 0.00 H new ATOM 768 N ARG A 53 -0.352 -9.089 1.625 1.00 0.00 N ATOM 769 CA ARG A 53 -1.413 -9.618 2.466 1.00 0.00 C ATOM 770 C ARG A 53 -2.553 -10.162 1.602 1.00 0.00 C ATOM 771 O ARG A 53 -2.885 -11.344 1.679 1.00 0.00 O ATOM 772 CB ARG A 53 -1.962 -8.541 3.403 1.00 0.00 C ATOM 773 CG ARG A 53 -1.360 -8.674 4.803 1.00 0.00 C ATOM 774 CD ARG A 53 -0.756 -7.347 5.269 1.00 0.00 C ATOM 775 NE ARG A 53 -1.591 -6.759 6.340 1.00 0.00 N ATOM 776 CZ ARG A 53 -1.801 -7.337 7.531 1.00 0.00 C ATOM 777 NH1 ARG A 53 -1.241 -8.522 7.809 1.00 0.00 N ATOM 778 NH2 ARG A 53 -2.574 -6.730 8.442 1.00 0.00 N ATOM 0 H ARG A 53 -0.048 -8.145 1.865 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.990 -10.424 3.066 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.738 -7.554 2.999 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.047 -8.623 3.461 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.130 -8.993 5.505 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.591 -9.447 4.800 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.258 -7.508 5.634 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.686 -6.655 4.430 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.034 -5.858 6.161 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.655 -8.985 7.114 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.401 -8.962 8.715 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.002 -5.829 8.229 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.734 -7.169 9.349 1.00 0.00 H new ATOM 792 N LEU A 54 -3.121 -9.274 0.799 1.00 0.00 N ATOM 793 CA LEU A 54 -4.216 -9.650 -0.078 1.00 0.00 C ATOM 794 C LEU A 54 -3.766 -10.796 -0.986 1.00 0.00 C ATOM 795 O LEU A 54 -4.507 -11.755 -1.196 1.00 0.00 O ATOM 796 CB LEU A 54 -4.736 -8.429 -0.839 1.00 0.00 C ATOM 797 CG LEU A 54 -5.297 -7.293 0.018 1.00 0.00 C ATOM 798 CD1 LEU A 54 -5.953 -6.221 -0.854 1.00 0.00 C ATOM 799 CD2 LEU A 54 -6.255 -7.830 1.083 1.00 0.00 C ATOM 0 H LEU A 54 -2.843 -8.295 0.738 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.061 -10.018 0.504 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.923 -8.031 -1.447 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.516 -8.759 -1.526 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.467 -6.819 0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.344 -5.425 -0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.214 -5.808 -1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.770 -6.665 -1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.639 -7.001 1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.085 -8.345 0.599 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.724 -8.527 1.732 1.00 0.00 H new ATOM 811 N LEU A 55 -2.553 -10.658 -1.501 1.00 0.00 N ATOM 812 CA LEU A 55 -1.995 -11.670 -2.382 1.00 0.00 C ATOM 813 C LEU A 55 -2.113 -13.042 -1.716 1.00 0.00 C ATOM 814 O LEU A 55 -2.404 -14.036 -2.381 1.00 0.00 O ATOM 815 CB LEU A 55 -0.564 -11.302 -2.782 1.00 0.00 C ATOM 816 CG LEU A 55 -0.423 -10.174 -3.806 1.00 0.00 C ATOM 817 CD1 LEU A 55 1.048 -9.812 -4.024 1.00 0.00 C ATOM 818 CD2 LEU A 55 -1.125 -10.532 -5.117 1.00 0.00 C ATOM 0 H LEU A 55 -1.941 -9.861 -1.325 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.560 -11.718 -3.313 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.018 -11.019 -1.882 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.079 -12.192 -3.183 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.917 -9.288 -3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.120 -9.008 -4.756 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.486 -9.484 -3.081 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.587 -10.686 -4.390 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.009 -9.713 -5.827 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.682 -11.437 -5.532 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.185 -10.701 -4.928 1.00 0.00 H new ATOM 830 N SER A 56 -1.883 -13.053 -0.412 1.00 0.00 N ATOM 831 CA SER A 56 -1.960 -14.287 0.352 1.00 0.00 C ATOM 832 C SER A 56 -3.416 -14.588 0.713 1.00 0.00 C ATOM 833 O SER A 56 -3.950 -15.630 0.335 1.00 0.00 O ATOM 834 CB SER A 56 -1.105 -14.206 1.618 1.00 0.00 C ATOM 835 OG SER A 56 -0.846 -15.494 2.170 1.00 0.00 O ATOM 0 H SER A 56 -1.643 -12.227 0.136 1.00 0.00 H new ATOM 0 HA SER A 56 -1.570 -15.096 -0.265 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.160 -13.714 1.387 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.613 -13.589 2.360 1.00 0.00 H new ATOM 0 HG SER A 56 -0.296 -15.400 2.976 1.00 0.00 H new ATOM 841 N MET A 57 -4.016 -13.658 1.441 1.00 0.00 N ATOM 842 CA MET A 57 -5.400 -13.811 1.857 1.00 0.00 C ATOM 843 C MET A 57 -6.252 -14.389 0.726 1.00 0.00 C ATOM 844 O MET A 57 -7.257 -15.053 0.978 1.00 0.00 O ATOM 845 CB MET A 57 -5.961 -12.450 2.275 1.00 0.00 C ATOM 846 CG MET A 57 -5.147 -11.851 3.425 1.00 0.00 C ATOM 847 SD MET A 57 -6.239 -11.322 4.734 1.00 0.00 S ATOM 848 CE MET A 57 -6.044 -9.553 4.604 1.00 0.00 C ATOM 0 H MET A 57 -3.569 -12.796 1.753 1.00 0.00 H new ATOM 0 HA MET A 57 -5.432 -14.502 2.700 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.948 -11.770 1.423 1.00 0.00 H new ATOM 0 HB3 MET A 57 -7.002 -12.560 2.580 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.441 -12.589 3.805 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.561 -11.005 3.065 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.438 -9.077 5.502 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.987 -9.310 4.498 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.588 -9.190 3.732 1.00 0.00 H new ATOM 858 N GLY A 58 -5.821 -14.116 -0.496 1.00 0.00 N ATOM 859 CA GLY A 58 -6.532 -14.600 -1.667 1.00 0.00 C ATOM 860 C GLY A 58 -7.566 -13.578 -2.143 1.00 0.00 C ATOM 861 O GLY A 58 -8.504 -13.925 -2.858 1.00 0.00 O ATOM 0 H GLY A 58 -4.987 -13.565 -0.701 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.822 -14.805 -2.469 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.028 -15.542 -1.432 1.00 0.00 H new ATOM 865 N GLN A 59 -7.359 -12.337 -1.726 1.00 0.00 N ATOM 866 CA GLN A 59 -8.262 -11.262 -2.101 1.00 0.00 C ATOM 867 C GLN A 59 -7.738 -10.537 -3.343 1.00 0.00 C ATOM 868 O GLN A 59 -8.517 -9.990 -4.121 1.00 0.00 O ATOM 869 CB GLN A 59 -8.462 -10.285 -0.941 1.00 0.00 C ATOM 870 CG GLN A 59 -9.036 -11.000 0.285 1.00 0.00 C ATOM 871 CD GLN A 59 -10.515 -10.658 0.476 1.00 0.00 C ATOM 872 OE1 GLN A 59 -11.376 -11.058 -0.291 1.00 0.00 O ATOM 873 NE2 GLN A 59 -10.762 -9.897 1.538 1.00 0.00 N ATOM 0 H GLN A 59 -6.580 -12.052 -1.133 1.00 0.00 H new ATOM 0 HA GLN A 59 -9.233 -11.696 -2.340 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.510 -9.821 -0.683 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -9.135 -9.484 -1.247 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -8.920 -12.078 0.169 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.475 -10.713 1.174 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.995 -9.596 2.140 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.718 -9.614 1.751 1.00 0.00 H new ATOM 882 N LEU A 60 -6.421 -10.558 -3.490 1.00 0.00 N ATOM 883 CA LEU A 60 -5.785 -9.910 -4.624 1.00 0.00 C ATOM 884 C LEU A 60 -5.034 -10.958 -5.449 1.00 0.00 C ATOM 885 O LEU A 60 -4.515 -11.929 -4.901 1.00 0.00 O ATOM 886 CB LEU A 60 -4.904 -8.751 -4.153 1.00 0.00 C ATOM 887 CG LEU A 60 -4.079 -8.053 -5.237 1.00 0.00 C ATOM 888 CD1 LEU A 60 -4.970 -7.591 -6.391 1.00 0.00 C ATOM 889 CD2 LEU A 60 -3.261 -6.902 -4.647 1.00 0.00 C ATOM 0 H LEU A 60 -5.778 -11.013 -2.843 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.534 -9.465 -5.279 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.541 -8.008 -3.674 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.222 -9.126 -3.390 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.371 -8.774 -5.646 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.359 -7.098 -7.148 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.469 -8.453 -6.833 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.717 -6.892 -6.016 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.684 -6.423 -5.438 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.933 -6.172 -4.195 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.583 -7.290 -3.887 1.00 0.00 H new ATOM 901 N ASP A 61 -5.001 -10.725 -6.753 1.00 0.00 N ATOM 902 CA ASP A 61 -4.323 -11.636 -7.658 1.00 0.00 C ATOM 903 C ASP A 61 -3.157 -10.907 -8.330 1.00 0.00 C ATOM 904 O ASP A 61 -3.339 -9.835 -8.905 1.00 0.00 O ATOM 905 CB ASP A 61 -5.269 -12.127 -8.756 1.00 0.00 C ATOM 906 CG ASP A 61 -5.415 -13.647 -8.851 1.00 0.00 C ATOM 907 OD1 ASP A 61 -4.635 -14.337 -8.159 1.00 0.00 O ATOM 908 OD2 ASP A 61 -6.304 -14.085 -9.613 1.00 0.00 O ATOM 0 H ASP A 61 -5.433 -9.918 -7.204 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.971 -12.488 -7.077 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.254 -11.692 -8.587 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.914 -11.750 -9.715 1.00 0.00 H new ATOM 913 N LEU A 62 -1.985 -11.518 -8.235 1.00 0.00 N ATOM 914 CA LEU A 62 -0.790 -10.941 -8.826 1.00 0.00 C ATOM 915 C LEU A 62 -0.651 -11.433 -10.269 1.00 0.00 C ATOM 916 O LEU A 62 -0.659 -12.636 -10.521 1.00 0.00 O ATOM 917 CB LEU A 62 0.434 -11.234 -7.956 1.00 0.00 C ATOM 918 CG LEU A 62 1.443 -10.093 -7.811 1.00 0.00 C ATOM 919 CD1 LEU A 62 2.808 -10.622 -7.369 1.00 0.00 C ATOM 920 CD2 LEU A 62 1.535 -9.276 -9.101 1.00 0.00 C ATOM 0 H LEU A 62 -1.838 -12.407 -7.757 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.871 -9.855 -8.865 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.089 -11.516 -6.961 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.951 -12.099 -8.371 1.00 0.00 H new ATOM 0 HG LEU A 62 1.090 -9.421 -7.029 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.507 -9.791 -7.273 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.709 -11.125 -6.407 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.182 -11.327 -8.111 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.259 -8.471 -8.971 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.853 -9.922 -9.919 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.558 -8.851 -9.333 1.00 0.00 H new ATOM 932 N LEU A 63 -0.528 -10.476 -11.177 1.00 0.00 N ATOM 933 CA LEU A 63 -0.387 -10.796 -12.587 1.00 0.00 C ATOM 934 C LEU A 63 0.846 -10.086 -13.147 1.00 0.00 C ATOM 935 O LEU A 63 0.827 -8.874 -13.357 1.00 0.00 O ATOM 936 CB LEU A 63 -1.679 -10.473 -13.341 1.00 0.00 C ATOM 937 CG LEU A 63 -2.273 -11.611 -14.173 1.00 0.00 C ATOM 938 CD1 LEU A 63 -3.802 -11.552 -14.171 1.00 0.00 C ATOM 939 CD2 LEU A 63 -1.701 -11.609 -15.592 1.00 0.00 C ATOM 0 H LEU A 63 -0.523 -9.479 -10.963 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.226 -11.866 -12.720 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.427 -10.150 -12.617 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.489 -9.627 -14.002 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.987 -12.556 -13.712 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.199 -12.372 -14.770 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.168 -11.639 -13.148 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.130 -10.602 -14.594 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.140 -12.428 -16.162 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.936 -10.662 -16.078 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.619 -11.736 -15.548 1.00 0.00 H new ATOM 951 N ARG A 64 1.890 -10.870 -13.373 1.00 0.00 N ATOM 952 CA ARG A 64 3.130 -10.330 -13.904 1.00 0.00 C ATOM 953 C ARG A 64 2.996 -10.072 -15.407 1.00 0.00 C ATOM 954 O ARG A 64 2.973 -11.010 -16.202 1.00 0.00 O ATOM 955 CB ARG A 64 4.297 -11.290 -13.661 1.00 0.00 C ATOM 956 CG ARG A 64 4.583 -11.438 -12.166 1.00 0.00 C ATOM 957 CD ARG A 64 3.865 -12.660 -11.589 1.00 0.00 C ATOM 958 NE ARG A 64 4.842 -13.557 -10.933 1.00 0.00 N ATOM 959 CZ ARG A 64 5.559 -14.487 -11.578 1.00 0.00 C ATOM 960 NH1 ARG A 64 5.412 -14.648 -12.901 1.00 0.00 N ATOM 961 NH2 ARG A 64 6.422 -15.257 -10.902 1.00 0.00 N ATOM 0 H ARG A 64 1.903 -11.875 -13.198 1.00 0.00 H new ATOM 0 HA ARG A 64 3.332 -9.392 -13.387 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.065 -12.265 -14.089 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.187 -10.922 -14.171 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.657 -11.533 -12.005 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.260 -10.540 -11.640 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.110 -12.343 -10.870 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.344 -13.195 -12.383 1.00 0.00 H new ATOM 0 HE ARG A 64 4.978 -13.461 -9.927 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.754 -14.063 -13.416 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.958 -15.356 -13.392 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.534 -15.136 -9.895 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.967 -15.965 -11.394 1.00 0.00 H new ATOM 975 N SER A 65 2.911 -8.795 -15.749 1.00 0.00 N ATOM 976 CA SER A 65 2.780 -8.401 -17.142 1.00 0.00 C ATOM 977 C SER A 65 3.553 -7.105 -17.395 1.00 0.00 C ATOM 978 O SER A 65 3.352 -6.112 -16.697 1.00 0.00 O ATOM 979 CB SER A 65 1.310 -8.226 -17.529 1.00 0.00 C ATOM 980 OG SER A 65 1.119 -8.281 -18.940 1.00 0.00 O ATOM 0 H SER A 65 2.930 -8.020 -15.086 1.00 0.00 H new ATOM 0 HA SER A 65 3.199 -9.193 -17.762 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.714 -9.004 -17.052 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.947 -7.270 -17.151 1.00 0.00 H new ATOM 0 HG SER A 65 0.168 -8.167 -19.146 1.00 0.00 H new ATOM 986 N ASN A 66 4.421 -7.157 -18.394 1.00 0.00 N ATOM 987 CA ASN A 66 5.225 -6.000 -18.747 1.00 0.00 C ATOM 988 C ASN A 66 6.406 -5.890 -17.781 1.00 0.00 C ATOM 989 O ASN A 66 6.819 -6.884 -17.184 1.00 0.00 O ATOM 990 CB ASN A 66 4.409 -4.710 -18.645 1.00 0.00 C ATOM 991 CG ASN A 66 4.800 -3.724 -19.747 1.00 0.00 C ATOM 992 OD1 ASN A 66 5.869 -3.798 -20.332 1.00 0.00 O ATOM 993 ND2 ASN A 66 3.878 -2.799 -19.998 1.00 0.00 N ATOM 0 H ASN A 66 4.585 -7.982 -18.970 1.00 0.00 H new ATOM 0 HA ASN A 66 5.568 -6.129 -19.773 1.00 0.00 H new ATOM 0 HB2 ASN A 66 3.346 -4.941 -18.719 1.00 0.00 H new ATOM 0 HB3 ASN A 66 4.568 -4.251 -17.669 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.044 -2.095 -20.717 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.004 -2.794 -19.472 1.00 0.00 H new ATOM 1000 N THR A 67 6.916 -4.674 -17.655 1.00 0.00 N ATOM 1001 CA THR A 67 8.041 -4.422 -16.771 1.00 0.00 C ATOM 1002 C THR A 67 7.641 -4.667 -15.315 1.00 0.00 C ATOM 1003 O THR A 67 8.312 -5.408 -14.599 1.00 0.00 O ATOM 1004 CB THR A 67 8.539 -2.999 -17.033 1.00 0.00 C ATOM 1005 OG1 THR A 67 7.363 -2.199 -16.953 1.00 0.00 O ATOM 1006 CG2 THR A 67 9.025 -2.804 -18.471 1.00 0.00 C ATOM 0 H THR A 67 6.571 -3.852 -18.151 1.00 0.00 H new ATOM 0 HA THR A 67 8.862 -5.111 -16.970 1.00 0.00 H new ATOM 0 HB THR A 67 9.348 -2.765 -16.341 1.00 0.00 H new ATOM 0 HG1 THR A 67 7.595 -1.260 -17.109 1.00 0.00 H new ATOM 0 HG21 THR A 67 9.367 -1.778 -18.603 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.848 -3.490 -18.673 1.00 0.00 H new ATOM 0 HG23 THR A 67 8.207 -3.005 -19.162 1.00 0.00 H new ATOM 1014 N GLY A 68 6.548 -4.030 -14.920 1.00 0.00 N ATOM 1015 CA GLY A 68 6.050 -4.169 -13.562 1.00 0.00 C ATOM 1016 C GLY A 68 4.997 -5.276 -13.476 1.00 0.00 C ATOM 1017 O GLY A 68 4.689 -5.924 -14.475 1.00 0.00 O ATOM 0 H GLY A 68 5.993 -3.416 -15.517 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.877 -4.395 -12.889 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.618 -3.225 -13.230 1.00 0.00 H new ATOM 1021 N LEU A 69 4.475 -5.459 -12.272 1.00 0.00 N ATOM 1022 CA LEU A 69 3.464 -6.476 -12.041 1.00 0.00 C ATOM 1023 C LEU A 69 2.080 -5.822 -12.038 1.00 0.00 C ATOM 1024 O LEU A 69 1.967 -4.603 -11.927 1.00 0.00 O ATOM 1025 CB LEU A 69 3.775 -7.263 -10.767 1.00 0.00 C ATOM 1026 CG LEU A 69 5.258 -7.501 -10.471 1.00 0.00 C ATOM 1027 CD1 LEU A 69 5.434 -8.413 -9.255 1.00 0.00 C ATOM 1028 CD2 LEU A 69 5.982 -8.044 -11.705 1.00 0.00 C ATOM 0 H LEU A 69 4.734 -4.920 -11.446 1.00 0.00 H new ATOM 0 HA LEU A 69 3.470 -7.208 -12.848 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.336 -6.734 -9.921 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.278 -8.231 -10.831 1.00 0.00 H new ATOM 0 HG LEU A 69 5.716 -6.543 -10.224 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.496 -8.566 -9.066 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.973 -7.949 -8.383 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.958 -9.374 -9.449 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.034 -8.205 -11.468 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.529 -8.989 -12.006 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.899 -7.326 -12.521 1.00 0.00 H new ATOM 1040 N LEU A 70 1.063 -6.663 -12.160 1.00 0.00 N ATOM 1041 CA LEU A 70 -0.308 -6.182 -12.172 1.00 0.00 C ATOM 1042 C LEU A 70 -1.102 -6.892 -11.074 1.00 0.00 C ATOM 1043 O LEU A 70 -0.805 -8.034 -10.727 1.00 0.00 O ATOM 1044 CB LEU A 70 -0.916 -6.333 -13.567 1.00 0.00 C ATOM 1045 CG LEU A 70 -2.442 -6.243 -13.647 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -2.901 -5.976 -15.082 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -3.096 -7.495 -13.059 1.00 0.00 C ATOM 0 H LEU A 70 1.161 -7.674 -12.251 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.340 -5.115 -11.950 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.492 -5.563 -14.212 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.607 -7.296 -13.974 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.767 -5.396 -13.043 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.989 -5.917 -15.111 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.477 -5.034 -15.430 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.565 -6.787 -15.728 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.180 -7.406 -13.128 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.768 -8.373 -13.616 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.806 -7.600 -12.013 1.00 0.00 H new ATOM 1059 N TYR A 71 -2.098 -6.186 -10.558 1.00 0.00 N ATOM 1060 CA TYR A 71 -2.938 -6.735 -9.507 1.00 0.00 C ATOM 1061 C TYR A 71 -4.420 -6.572 -9.848 1.00 0.00 C ATOM 1062 O TYR A 71 -4.882 -5.463 -10.113 1.00 0.00 O ATOM 1063 CB TYR A 71 -2.624 -5.922 -8.249 1.00 0.00 C ATOM 1064 CG TYR A 71 -1.133 -5.659 -8.034 1.00 0.00 C ATOM 1065 CD1 TYR A 71 -0.257 -6.718 -7.908 1.00 0.00 C ATOM 1066 CD2 TYR A 71 -0.663 -4.363 -7.964 1.00 0.00 C ATOM 1067 CE1 TYR A 71 1.147 -6.472 -7.705 1.00 0.00 C ATOM 1068 CE2 TYR A 71 0.741 -4.117 -7.761 1.00 0.00 C ATOM 1069 CZ TYR A 71 1.577 -5.183 -7.642 1.00 0.00 C ATOM 1070 OH TYR A 71 2.903 -4.950 -7.450 1.00 0.00 O ATOM 0 H TYR A 71 -2.342 -5.239 -10.848 1.00 0.00 H new ATOM 0 HA TYR A 71 -2.743 -7.800 -9.377 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -3.146 -4.967 -8.306 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -3.018 -6.449 -7.380 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.625 -7.732 -7.962 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -1.348 -3.534 -8.061 1.00 0.00 H new ATOM 0 HE1 TYR A 71 1.843 -7.292 -7.605 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.122 -3.108 -7.704 1.00 0.00 H new ATOM 0 HH TYR A 71 3.065 -3.984 -7.427 1.00 0.00 H new ATOM 1080 N ARG A 72 -5.125 -7.694 -9.831 1.00 0.00 N ATOM 1081 CA ARG A 72 -6.546 -7.690 -10.136 1.00 0.00 C ATOM 1082 C ARG A 72 -7.321 -8.457 -9.063 1.00 0.00 C ATOM 1083 O ARG A 72 -6.727 -9.004 -8.135 1.00 0.00 O ATOM 1084 CB ARG A 72 -6.818 -8.322 -11.502 1.00 0.00 C ATOM 1085 CG ARG A 72 -7.175 -9.803 -11.359 1.00 0.00 C ATOM 1086 CD ARG A 72 -7.103 -10.517 -12.711 1.00 0.00 C ATOM 1087 NE ARG A 72 -7.710 -11.863 -12.605 1.00 0.00 N ATOM 1088 CZ ARG A 72 -7.428 -12.881 -13.430 1.00 0.00 C ATOM 1089 NH1 ARG A 72 -6.548 -12.712 -14.426 1.00 0.00 N ATOM 1090 NH2 ARG A 72 -8.026 -14.067 -13.258 1.00 0.00 N ATOM 0 H ARG A 72 -4.739 -8.612 -9.611 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.878 -6.652 -10.157 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.634 -7.794 -11.995 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.939 -8.216 -12.138 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.492 -10.279 -10.655 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.179 -9.901 -10.945 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.625 -9.932 -13.469 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.065 -10.601 -13.032 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.385 -12.026 -11.858 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.093 -11.809 -14.556 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.333 -13.487 -15.054 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.696 -14.195 -12.499 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.812 -14.842 -13.886 1.00 0.00 H new ATOM 1104 N ILE A 73 -8.636 -8.472 -9.225 1.00 0.00 N ATOM 1105 CA ILE A 73 -9.499 -9.163 -8.282 1.00 0.00 C ATOM 1106 C ILE A 73 -9.332 -10.674 -8.458 1.00 0.00 C ATOM 1107 O ILE A 73 -9.467 -11.192 -9.565 1.00 0.00 O ATOM 1108 CB ILE A 73 -10.944 -8.683 -8.427 1.00 0.00 C ATOM 1109 CG1 ILE A 73 -11.364 -7.839 -7.222 1.00 0.00 C ATOM 1110 CG2 ILE A 73 -11.893 -9.861 -8.660 1.00 0.00 C ATOM 1111 CD1 ILE A 73 -11.095 -8.581 -5.911 1.00 0.00 C ATOM 0 H ILE A 73 -9.125 -8.016 -9.996 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.211 -8.927 -7.258 1.00 0.00 H new ATOM 0 HB ILE A 73 -11.004 -8.042 -9.307 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.820 -6.895 -7.228 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -12.424 -7.596 -7.296 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -12.914 -9.492 -8.760 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -11.606 -10.385 -9.572 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.836 -10.547 -7.815 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -11.403 -7.958 -5.071 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.660 -9.513 -5.898 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -10.031 -8.801 -5.829 1.00 0.00 H new ATOM 1123 N LYS A 74 -9.041 -11.338 -7.349 1.00 0.00 N ATOM 1124 CA LYS A 74 -8.855 -12.779 -7.367 1.00 0.00 C ATOM 1125 C LYS A 74 -10.164 -13.453 -7.782 1.00 0.00 C ATOM 1126 O LYS A 74 -11.197 -13.260 -7.141 1.00 0.00 O ATOM 1127 CB LYS A 74 -8.313 -13.266 -6.021 1.00 0.00 C ATOM 1128 CG LYS A 74 -7.536 -14.574 -6.184 1.00 0.00 C ATOM 1129 CD LYS A 74 -6.392 -14.662 -5.173 1.00 0.00 C ATOM 1130 CE LYS A 74 -6.149 -16.111 -4.744 1.00 0.00 C ATOM 1131 NZ LYS A 74 -4.699 -16.375 -4.610 1.00 0.00 N ATOM 0 H LYS A 74 -8.929 -10.905 -6.432 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.104 -13.057 -8.107 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.664 -12.504 -5.589 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.138 -13.413 -5.324 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.210 -15.420 -6.051 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.137 -14.640 -7.196 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.482 -14.251 -5.611 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.627 -14.055 -4.299 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.649 -16.304 -3.795 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.582 -16.791 -5.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.551 -17.362 -4.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.230 -16.210 -5.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.295 -15.738 -3.894 1.00 0.00 H new ATOM 1145 N ASP A 75 -10.080 -14.230 -8.851 1.00 0.00 N ATOM 1146 CA ASP A 75 -11.245 -14.934 -9.359 1.00 0.00 C ATOM 1147 C ASP A 75 -10.789 -16.159 -10.155 1.00 0.00 C ATOM 1148 O ASP A 75 -10.251 -16.026 -11.253 1.00 0.00 O ATOM 1149 CB ASP A 75 -12.063 -14.041 -10.294 1.00 0.00 C ATOM 1150 CG ASP A 75 -13.489 -14.524 -10.565 1.00 0.00 C ATOM 1151 OD1 ASP A 75 -14.183 -14.832 -9.572 1.00 0.00 O ATOM 1152 OD2 ASP A 75 -13.854 -14.574 -11.760 1.00 0.00 O ATOM 0 H ASP A 75 -9.222 -14.388 -9.380 1.00 0.00 H new ATOM 0 HA ASP A 75 -11.860 -15.226 -8.508 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -12.110 -13.039 -9.867 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -11.537 -13.958 -11.245 1.00 0.00 H new ATOM 1157 N SER A 76 -11.020 -17.325 -9.569 1.00 0.00 N ATOM 1158 CA SER A 76 -10.640 -18.572 -10.209 1.00 0.00 C ATOM 1159 C SER A 76 -11.861 -19.485 -10.344 1.00 0.00 C ATOM 1160 O SER A 76 -12.891 -19.245 -9.717 1.00 0.00 O ATOM 1161 CB SER A 76 -9.533 -19.279 -9.425 1.00 0.00 C ATOM 1162 OG SER A 76 -8.365 -18.472 -9.305 1.00 0.00 O ATOM 0 H SER A 76 -11.466 -17.432 -8.658 1.00 0.00 H new ATOM 0 HA SER A 76 -10.254 -18.342 -11.202 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.900 -19.536 -8.431 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.278 -20.215 -9.922 1.00 0.00 H new ATOM 0 HG SER A 76 -7.682 -18.958 -8.797 1.00 0.00 H new ATOM 1168 N GLY A 77 -11.704 -20.513 -11.165 1.00 0.00 N ATOM 1169 CA GLY A 77 -12.780 -21.462 -11.390 1.00 0.00 C ATOM 1170 C GLY A 77 -12.768 -22.566 -10.330 1.00 0.00 C ATOM 1171 O GLY A 77 -11.728 -22.852 -9.739 1.00 0.00 O ATOM 0 H GLY A 77 -10.847 -20.709 -11.683 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.738 -20.943 -11.369 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -12.679 -21.904 -12.381 1.00 0.00 H new ATOM 1175 N PRO A 78 -13.967 -23.171 -10.116 1.00 0.00 N ATOM 1176 CA PRO A 78 -14.104 -24.236 -9.138 1.00 0.00 C ATOM 1177 C PRO A 78 -13.500 -25.541 -9.660 1.00 0.00 C ATOM 1178 O PRO A 78 -13.576 -25.830 -10.854 1.00 0.00 O ATOM 1179 CB PRO A 78 -15.597 -24.338 -8.872 1.00 0.00 C ATOM 1180 CG PRO A 78 -16.277 -23.651 -10.046 1.00 0.00 C ATOM 1181 CD PRO A 78 -15.220 -22.857 -10.797 1.00 0.00 C ATOM 0 HA PRO A 78 -13.562 -24.031 -8.215 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -15.910 -25.379 -8.794 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -15.860 -23.855 -7.931 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -16.740 -24.387 -10.703 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -17.072 -22.992 -9.695 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -15.182 -23.143 -11.848 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -15.431 -21.788 -10.765 1.00 0.00 H new ATOM 1189 N SER A 79 -12.914 -26.294 -8.741 1.00 0.00 N ATOM 1190 CA SER A 79 -12.297 -27.562 -9.095 1.00 0.00 C ATOM 1191 C SER A 79 -12.744 -28.652 -8.118 1.00 0.00 C ATOM 1192 O SER A 79 -12.421 -28.599 -6.933 1.00 0.00 O ATOM 1193 CB SER A 79 -10.771 -27.449 -9.101 1.00 0.00 C ATOM 1194 OG SER A 79 -10.236 -27.522 -10.419 1.00 0.00 O ATOM 0 H SER A 79 -12.853 -26.051 -7.752 1.00 0.00 H new ATOM 0 HA SER A 79 -12.619 -27.830 -10.101 1.00 0.00 H new ATOM 0 HB2 SER A 79 -10.475 -26.506 -8.641 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.346 -28.247 -8.492 1.00 0.00 H new ATOM 0 HG SER A 79 -9.260 -27.444 -10.381 1.00 0.00 H new ATOM 1200 N SER A 80 -13.482 -29.614 -8.653 1.00 0.00 N ATOM 1201 CA SER A 80 -13.977 -30.714 -7.844 1.00 0.00 C ATOM 1202 C SER A 80 -14.747 -31.704 -8.721 1.00 0.00 C ATOM 1203 O SER A 80 -14.402 -32.883 -8.781 1.00 0.00 O ATOM 1204 CB SER A 80 -14.869 -30.206 -6.710 1.00 0.00 C ATOM 1205 OG SER A 80 -14.540 -30.809 -5.461 1.00 0.00 O ATOM 0 H SER A 80 -13.749 -29.654 -9.637 1.00 0.00 H new ATOM 0 HA SER A 80 -13.122 -31.222 -7.398 1.00 0.00 H new ATOM 0 HB2 SER A 80 -14.769 -29.124 -6.627 1.00 0.00 H new ATOM 0 HB3 SER A 80 -15.912 -30.413 -6.949 1.00 0.00 H new ATOM 0 HG SER A 80 -15.130 -30.457 -4.762 1.00 0.00 H new ATOM 1211 N GLY A 81 -15.774 -31.187 -9.380 1.00 0.00 N ATOM 1212 CA GLY A 81 -16.595 -32.011 -10.251 1.00 0.00 C ATOM 1213 C GLY A 81 -17.845 -32.505 -9.520 1.00 0.00 C ATOM 1214 O GLY A 81 -17.744 -33.182 -8.498 1.00 0.00 O ATOM 0 H GLY A 81 -16.056 -30.208 -9.328 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.887 -31.438 -11.131 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -16.015 -32.864 -10.604 1.00 0.00 H new TER 1218 GLY A 81