USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 969 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 81 CYS SG : rot 180:sc= 0.0911 USER MOD Set 1.2: A 83 SER OG : rot 21:sc= 0.28 USER MOD Set 2.1: A 42 CYS SG : rot 176:sc= 0 USER MOD Set 2.2: A 101 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 40 THR OG1 : rot 41:sc= 0.566 USER MOD Set 3.2: A 105 SER OG : rot 63:sc= 0.449 USER MOD Set 4.1: A 39 HIS : no HD1:sc= -0.175 X(o=-0.17,f=-0.24) USER MOD Set 4.2: A 109 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 15 CYS SG : rot 180:sc= 0 USER MOD Set 5.2: A 21 THR OG1 : rot -170:sc= -0.2 USER MOD Single : A 1 MET CE :methyl 169:sc= 0 (180deg=-0.131) USER MOD Single : A 1 MET N :NH3+ -168:sc= 0 (180deg=-0.14) USER MOD Single : A 3 GLN : amide:sc= -0.058 K(o=-0.058,f=-2.4!) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 ASN :FLIP amide:sc= -0.635 F(o=-1.7!,f=-0.64) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 CYS SG : rot 43:sc= 1.02 USER MOD Single : A 17 CYS SG : rot 180:sc= 0.0359 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN :FLIP amide:sc= -0.227 F(o=-1.2!,f=-0.23) USER MOD Single : A 29 CYS SG : rot 180:sc= -0.957 USER MOD Single : A 30 GLN : amide:sc= 0.0968 K(o=0.097,f=-5.6!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0302 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0.287 USER MOD Single : A 45 MET CE :methyl 165:sc= -0.633 (180deg=-1.24) USER MOD Single : A 46 THR OG1 : rot -104:sc= 1.27 USER MOD Single : A 53 SER OG : rot 61:sc= 0.0204 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 MET CE :methyl 149:sc= -0.0635 (180deg=-0.498) USER MOD Single : A 62 THR OG1 : rot -88:sc= 0.0899 USER MOD Single : A 68 ASN :FLIP amide:sc= -0.0369 F(o=-1.9!,f=-0.037) USER MOD Single : A 73 LYS NZ :NH3+ -153:sc= -1.2 (180deg=-1.57) USER MOD Single : A 79 CYS SG : rot -35:sc= 0.0182 USER MOD Single : A 86 GLN : amide:sc= -1.84! C(o=-1.8!,f=-7.6!) USER MOD Single : A 93 MET CE :methyl 165:sc= -1.28 (180deg=-1.8) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 102 THR OG1 : rot 150:sc= -1.43! USER MOD Single : A 104 LYS NZ :NH3+ -170:sc=-0.00167 (180deg=-0.0964) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= -0.019 X(o=-0.019,f=-0.24) USER MOD Single : A 118 HIS : no HD1:sc= -0.0266 X(o=-0.027,f=-0.42) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 126 HIS : no HD1:sc= 0.0598 K(o=0.06,f=-0.5) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 128 HIS : no HE2:sc= -0.133 K(o=-0.13,f=-1.1) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.241 5.973 -12.718 1.00 0.00 N ATOM 2 CA MET A 1 -6.144 5.390 -13.747 1.00 0.00 C ATOM 3 C MET A 1 -7.626 5.671 -13.401 1.00 0.00 C ATOM 4 O MET A 1 -8.083 5.354 -12.295 1.00 0.00 O ATOM 5 CB MET A 1 -5.875 3.868 -13.899 1.00 0.00 C ATOM 6 CG MET A 1 -4.461 3.525 -14.390 1.00 0.00 C ATOM 7 SD MET A 1 -4.188 1.747 -14.544 1.00 0.00 S ATOM 8 CE MET A 1 -2.513 1.695 -15.185 1.00 0.00 C ATOM 0 H1 MET A 1 -4.261 5.954 -13.065 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.522 6.956 -12.527 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.309 5.417 -11.842 1.00 0.00 H new ATOM 0 HA MET A 1 -5.936 5.867 -14.705 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.041 3.383 -12.937 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.601 3.450 -14.596 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.292 3.999 -15.357 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.730 3.942 -13.698 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.140 0.671 -15.146 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.508 2.044 -16.218 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.872 2.338 -14.581 1.00 0.00 H new ATOM 20 N GLY A 2 -8.358 6.270 -14.365 1.00 0.00 N ATOM 21 CA GLY A 2 -9.758 6.683 -14.167 1.00 0.00 C ATOM 22 C GLY A 2 -10.753 5.517 -14.129 1.00 0.00 C ATOM 23 O GLY A 2 -11.517 5.373 -13.167 1.00 0.00 O ATOM 0 H GLY A 2 -7.995 6.478 -15.295 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -9.833 7.241 -13.234 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -10.042 7.364 -14.970 1.00 0.00 H new ATOM 27 N GLN A 3 -10.747 4.683 -15.186 1.00 0.00 N ATOM 28 CA GLN A 3 -11.655 3.515 -15.290 1.00 0.00 C ATOM 29 C GLN A 3 -10.980 2.238 -14.734 1.00 0.00 C ATOM 30 O GLN A 3 -9.825 1.935 -15.058 1.00 0.00 O ATOM 31 CB GLN A 3 -12.121 3.312 -16.769 1.00 0.00 C ATOM 32 CG GLN A 3 -13.279 2.275 -16.977 1.00 0.00 C ATOM 33 CD GLN A 3 -12.844 0.833 -17.327 1.00 0.00 C ATOM 34 OE1 GLN A 3 -11.749 0.388 -17.001 1.00 0.00 O ATOM 35 NE2 GLN A 3 -13.729 0.078 -17.954 1.00 0.00 N ATOM 0 H GLN A 3 -10.123 4.794 -15.985 1.00 0.00 H new ATOM 0 HA GLN A 3 -12.538 3.712 -14.682 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -12.444 4.275 -17.165 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -11.263 2.995 -17.362 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -13.878 2.242 -16.067 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -13.928 2.640 -17.772 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -14.635 0.466 -18.217 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -13.506 -0.893 -18.175 1.00 0.00 H new ATOM 44 N GLY A 4 -11.726 1.510 -13.888 1.00 0.00 N ATOM 45 CA GLY A 4 -11.317 0.195 -13.369 1.00 0.00 C ATOM 46 C GLY A 4 -12.504 -0.568 -12.773 1.00 0.00 C ATOM 47 O GLY A 4 -13.524 0.039 -12.438 1.00 0.00 O ATOM 0 H GLY A 4 -12.635 1.819 -13.543 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.872 -0.392 -14.173 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.548 0.326 -12.607 1.00 0.00 H new ATOM 51 N GLN A 5 -12.388 -1.898 -12.644 1.00 0.00 N ATOM 52 CA GLN A 5 -13.408 -2.729 -11.960 1.00 0.00 C ATOM 53 C GLN A 5 -12.812 -3.350 -10.688 1.00 0.00 C ATOM 54 O GLN A 5 -11.826 -4.078 -10.747 1.00 0.00 O ATOM 55 CB GLN A 5 -13.982 -3.819 -12.903 1.00 0.00 C ATOM 56 CG GLN A 5 -14.969 -3.268 -13.943 1.00 0.00 C ATOM 57 CD GLN A 5 -15.492 -4.320 -14.916 1.00 0.00 C ATOM 58 OE1 GLN A 5 -16.503 -4.973 -14.663 1.00 0.00 O ATOM 59 NE2 GLN A 5 -14.819 -4.493 -16.035 1.00 0.00 N ATOM 0 H GLN A 5 -11.596 -2.430 -13.004 1.00 0.00 H new ATOM 0 HA GLN A 5 -14.240 -2.085 -11.676 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -13.159 -4.312 -13.420 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -14.483 -4.579 -12.304 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -15.814 -2.815 -13.424 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -14.480 -2.475 -14.509 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -13.984 -3.937 -16.219 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -15.133 -5.183 -16.718 1.00 0.00 H new ATOM 68 N ASN A 6 -13.449 -3.049 -9.546 1.00 0.00 N ATOM 69 CA ASN A 6 -12.982 -3.472 -8.207 1.00 0.00 C ATOM 70 C ASN A 6 -13.037 -5.006 -8.034 1.00 0.00 C ATOM 71 O ASN A 6 -13.825 -5.695 -8.697 1.00 0.00 O ATOM 72 CB ASN A 6 -13.859 -2.816 -7.109 1.00 0.00 C ATOM 73 CG ASN A 6 -13.867 -1.291 -7.159 1.00 0.00 C ATOM 74 OD1 ASN A 6 -12.977 -0.658 -6.433 1.00 0.00 O flip ATOM 75 ND2 ASN A 6 -14.679 -0.691 -7.846 1.00 0.00 N flip ATOM 0 H ASN A 6 -14.309 -2.502 -9.520 1.00 0.00 H new ATOM 0 HA ASN A 6 -11.945 -3.150 -8.111 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -14.882 -3.179 -7.209 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -13.501 -3.137 -6.131 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -15.360 -1.210 -8.401 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -14.676 0.329 -7.865 1.00 0.00 H new ATOM 82 N VAL A 7 -12.223 -5.514 -7.095 1.00 0.00 N ATOM 83 CA VAL A 7 -12.292 -6.925 -6.635 1.00 0.00 C ATOM 84 C VAL A 7 -13.632 -7.174 -5.889 1.00 0.00 C ATOM 85 O VAL A 7 -14.128 -8.304 -5.804 1.00 0.00 O ATOM 86 CB VAL A 7 -11.067 -7.267 -5.700 1.00 0.00 C ATOM 87 CG1 VAL A 7 -9.747 -6.811 -6.363 1.00 0.00 C ATOM 88 CG2 VAL A 7 -11.211 -6.654 -4.274 1.00 0.00 C ATOM 0 H VAL A 7 -11.498 -4.967 -6.630 1.00 0.00 H new ATOM 0 HA VAL A 7 -12.246 -7.579 -7.506 1.00 0.00 H new ATOM 0 HB VAL A 7 -11.050 -8.349 -5.573 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -8.909 -7.052 -5.709 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -9.622 -7.324 -7.316 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -9.777 -5.735 -6.532 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -10.341 -6.921 -3.674 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -11.281 -5.569 -4.350 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -12.112 -7.043 -3.800 1.00 0.00 H new ATOM 98 N LEU A 8 -14.190 -6.062 -5.371 1.00 0.00 N ATOM 99 CA LEU A 8 -15.480 -6.013 -4.673 1.00 0.00 C ATOM 100 C LEU A 8 -16.639 -6.309 -5.655 1.00 0.00 C ATOM 101 O LEU A 8 -17.660 -6.904 -5.285 1.00 0.00 O ATOM 102 CB LEU A 8 -15.642 -4.617 -4.040 1.00 0.00 C ATOM 103 CG LEU A 8 -14.469 -4.156 -3.120 1.00 0.00 C ATOM 104 CD1 LEU A 8 -14.730 -2.749 -2.578 1.00 0.00 C ATOM 105 CD2 LEU A 8 -14.203 -5.161 -1.968 1.00 0.00 C ATOM 0 H LEU A 8 -13.739 -5.149 -5.431 1.00 0.00 H new ATOM 0 HA LEU A 8 -15.508 -6.773 -3.892 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -15.762 -3.886 -4.840 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -16.563 -4.606 -3.458 1.00 0.00 H new ATOM 0 HG LEU A 8 -13.566 -4.128 -3.730 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -13.901 -2.446 -1.939 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -14.822 -2.050 -3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -15.654 -2.748 -1.999 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -13.379 -4.800 -1.353 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -15.099 -5.256 -1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -13.944 -6.134 -2.386 1.00 0.00 H new ATOM 117 N GLY A 9 -16.455 -5.850 -6.911 1.00 0.00 N ATOM 118 CA GLY A 9 -17.325 -6.210 -8.027 1.00 0.00 C ATOM 119 C GLY A 9 -16.837 -7.485 -8.726 1.00 0.00 C ATOM 120 O GLY A 9 -17.015 -8.590 -8.193 1.00 0.00 O ATOM 0 H GLY A 9 -15.696 -5.220 -7.170 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -18.342 -6.358 -7.665 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -17.358 -5.390 -8.744 1.00 0.00 H new ATOM 124 N GLN A 10 -16.207 -7.324 -9.906 1.00 0.00 N ATOM 125 CA GLN A 10 -15.638 -8.441 -10.694 1.00 0.00 C ATOM 126 C GLN A 10 -14.714 -7.923 -11.823 1.00 0.00 C ATOM 127 O GLN A 10 -15.044 -6.940 -12.507 1.00 0.00 O ATOM 128 CB GLN A 10 -16.765 -9.339 -11.292 1.00 0.00 C ATOM 129 CG GLN A 10 -17.754 -8.612 -12.226 1.00 0.00 C ATOM 130 CD GLN A 10 -18.866 -9.524 -12.745 1.00 0.00 C ATOM 131 OE1 GLN A 10 -18.743 -10.141 -13.792 1.00 0.00 O ATOM 132 NE2 GLN A 10 -19.952 -9.624 -12.004 1.00 0.00 N ATOM 0 H GLN A 10 -16.077 -6.412 -10.344 1.00 0.00 H new ATOM 0 HA GLN A 10 -15.039 -9.044 -10.012 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -16.302 -10.157 -11.844 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -17.326 -9.786 -10.471 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -18.200 -7.773 -11.692 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -17.207 -8.197 -13.073 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -20.026 -9.096 -11.134 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -20.718 -10.229 -12.301 1.00 0.00 H new ATOM 141 N ASP A 11 -13.559 -8.591 -12.005 1.00 0.00 N ATOM 142 CA ASP A 11 -12.608 -8.281 -13.095 1.00 0.00 C ATOM 143 C ASP A 11 -11.688 -9.493 -13.387 1.00 0.00 C ATOM 144 O ASP A 11 -11.493 -10.360 -12.527 1.00 0.00 O ATOM 145 CB ASP A 11 -11.769 -7.012 -12.748 1.00 0.00 C ATOM 146 CG ASP A 11 -11.052 -6.417 -13.972 1.00 0.00 C ATOM 147 OD1 ASP A 11 -11.744 -5.885 -14.870 1.00 0.00 O ATOM 148 OD2 ASP A 11 -9.808 -6.508 -14.072 1.00 0.00 O ATOM 0 H ASP A 11 -13.258 -9.358 -11.404 1.00 0.00 H new ATOM 0 HA ASP A 11 -13.181 -8.072 -13.998 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -12.424 -6.257 -12.314 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.030 -7.267 -11.989 1.00 0.00 H new ATOM 153 N LEU A 12 -11.135 -9.541 -14.615 1.00 0.00 N ATOM 154 CA LEU A 12 -10.182 -10.599 -15.044 1.00 0.00 C ATOM 155 C LEU A 12 -8.832 -10.457 -14.277 1.00 0.00 C ATOM 156 O LEU A 12 -8.158 -11.456 -13.998 1.00 0.00 O ATOM 157 CB LEU A 12 -9.973 -10.521 -16.601 1.00 0.00 C ATOM 158 CG LEU A 12 -9.924 -11.879 -17.392 1.00 0.00 C ATOM 159 CD1 LEU A 12 -9.886 -11.634 -18.917 1.00 0.00 C ATOM 160 CD2 LEU A 12 -8.746 -12.778 -16.947 1.00 0.00 C ATOM 0 H LEU A 12 -11.332 -8.852 -15.340 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.594 -11.579 -14.803 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.778 -9.916 -17.019 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.042 -9.987 -16.790 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.842 -12.416 -17.153 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.852 -12.591 -19.438 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.779 -11.087 -19.220 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.000 -11.052 -19.170 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.757 -13.703 -17.523 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.805 -12.255 -17.117 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.846 -13.010 -15.887 1.00 0.00 H new ATOM 172 N GLU A 13 -8.476 -9.188 -13.950 1.00 0.00 N ATOM 173 CA GLU A 13 -7.279 -8.817 -13.145 1.00 0.00 C ATOM 174 C GLU A 13 -5.947 -9.236 -13.826 1.00 0.00 C ATOM 175 O GLU A 13 -4.919 -9.422 -13.159 1.00 0.00 O ATOM 176 CB GLU A 13 -7.388 -9.392 -11.703 1.00 0.00 C ATOM 177 CG GLU A 13 -8.633 -8.923 -10.921 1.00 0.00 C ATOM 178 CD GLU A 13 -8.676 -9.466 -9.484 1.00 0.00 C ATOM 179 OE1 GLU A 13 -9.131 -10.613 -9.281 1.00 0.00 O ATOM 180 OE2 GLU A 13 -8.232 -8.766 -8.558 1.00 0.00 O ATOM 0 H GLU A 13 -9.022 -8.378 -14.243 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.259 -7.729 -13.081 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -7.398 -10.481 -11.759 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.496 -9.110 -11.144 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.649 -7.833 -10.893 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.530 -9.242 -11.451 1.00 0.00 H new ATOM 187 N VAL A 14 -5.967 -9.326 -15.167 1.00 0.00 N ATOM 188 CA VAL A 14 -4.830 -9.816 -15.965 1.00 0.00 C ATOM 189 C VAL A 14 -3.973 -8.643 -16.516 1.00 0.00 C ATOM 190 O VAL A 14 -4.508 -7.609 -16.934 1.00 0.00 O ATOM 191 CB VAL A 14 -5.345 -10.743 -17.135 1.00 0.00 C ATOM 192 CG1 VAL A 14 -6.221 -9.971 -18.164 1.00 0.00 C ATOM 193 CG2 VAL A 14 -4.173 -11.484 -17.820 1.00 0.00 C ATOM 0 H VAL A 14 -6.775 -9.060 -15.730 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.186 -10.406 -15.312 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.993 -11.494 -16.683 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.549 -10.654 -18.947 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.092 -9.553 -17.659 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.636 -9.165 -18.607 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.559 -12.114 -18.621 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.475 -10.756 -18.235 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.657 -12.104 -17.087 1.00 0.00 H new ATOM 203 N CYS A 15 -2.635 -8.804 -16.468 1.00 0.00 N ATOM 204 CA CYS A 15 -1.675 -7.858 -17.099 1.00 0.00 C ATOM 205 C CYS A 15 -1.587 -8.111 -18.621 1.00 0.00 C ATOM 206 O CYS A 15 -1.439 -7.177 -19.422 1.00 0.00 O ATOM 207 CB CYS A 15 -0.272 -8.003 -16.462 1.00 0.00 C ATOM 208 SG CYS A 15 1.007 -6.954 -17.198 1.00 0.00 S ATOM 0 H CYS A 15 -2.185 -9.588 -15.995 1.00 0.00 H new ATOM 0 HA CYS A 15 -2.037 -6.844 -16.929 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -0.345 -7.772 -15.399 1.00 0.00 H new ATOM 0 HB3 CYS A 15 0.042 -9.044 -16.541 1.00 0.00 H new ATOM 0 HG CYS A 15 2.137 -7.155 -16.588 1.00 0.00 H new ATOM 214 N CYS A 16 -1.679 -9.400 -18.999 1.00 0.00 N ATOM 215 CA CYS A 16 -1.695 -9.842 -20.409 1.00 0.00 C ATOM 216 C CYS A 16 -3.065 -9.554 -21.064 1.00 0.00 C ATOM 217 O CYS A 16 -3.979 -10.383 -21.016 1.00 0.00 O ATOM 218 CB CYS A 16 -1.355 -11.350 -20.497 1.00 0.00 C ATOM 219 SG CYS A 16 -1.436 -12.033 -22.166 1.00 0.00 S ATOM 0 H CYS A 16 -1.745 -10.169 -18.332 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.938 -9.279 -20.955 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.352 -11.508 -20.100 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.042 -11.903 -19.857 1.00 0.00 H new ATOM 0 HG CYS A 16 -0.879 -11.206 -23.001 1.00 0.00 H new ATOM 225 N CYS A 17 -3.219 -8.344 -21.627 1.00 0.00 N ATOM 226 CA CYS A 17 -4.451 -7.921 -22.337 1.00 0.00 C ATOM 227 C CYS A 17 -4.133 -7.615 -23.820 1.00 0.00 C ATOM 228 O CYS A 17 -4.751 -8.174 -24.734 1.00 0.00 O ATOM 229 CB CYS A 17 -5.064 -6.692 -21.622 1.00 0.00 C ATOM 230 SG CYS A 17 -3.945 -5.272 -21.483 1.00 0.00 S ATOM 0 H CYS A 17 -2.495 -7.626 -21.606 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.183 -8.729 -22.316 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -5.959 -6.382 -22.161 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.381 -6.989 -20.622 1.00 0.00 H new ATOM 0 HG CYS A 17 -4.553 -4.298 -20.873 1.00 0.00 H new ATOM 236 N ALA A 18 -3.162 -6.711 -24.038 1.00 0.00 N ATOM 237 CA ALA A 18 -2.595 -6.407 -25.376 1.00 0.00 C ATOM 238 C ALA A 18 -1.208 -7.104 -25.600 1.00 0.00 C ATOM 239 O ALA A 18 -0.994 -7.672 -26.677 1.00 0.00 O ATOM 240 CB ALA A 18 -2.500 -4.883 -25.591 1.00 0.00 C ATOM 0 H ALA A 18 -2.741 -6.163 -23.288 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.275 -6.816 -26.123 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.082 -4.680 -26.577 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.495 -4.443 -25.521 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.856 -4.447 -24.827 1.00 0.00 H new ATOM 246 N PRO A 19 -0.218 -7.070 -24.616 1.00 0.00 N ATOM 247 CA PRO A 19 1.059 -7.828 -24.760 1.00 0.00 C ATOM 248 C PRO A 19 0.935 -9.328 -24.366 1.00 0.00 C ATOM 249 O PRO A 19 -0.009 -9.725 -23.670 1.00 0.00 O ATOM 250 CB PRO A 19 2.001 -7.074 -23.794 1.00 0.00 C ATOM 251 CG PRO A 19 1.104 -6.639 -22.673 1.00 0.00 C ATOM 252 CD PRO A 19 -0.226 -6.297 -23.329 1.00 0.00 C ATOM 0 HA PRO A 19 1.405 -7.862 -25.793 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.803 -7.719 -23.435 1.00 0.00 H new ATOM 0 HB3 PRO A 19 2.472 -6.221 -24.282 1.00 0.00 H new ATOM 0 HG2 PRO A 19 0.985 -7.432 -21.935 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.518 -5.776 -22.151 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.066 -6.586 -22.697 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.316 -5.226 -23.510 1.00 0.00 H new ATOM 260 N MET A 20 1.913 -10.145 -24.813 1.00 0.00 N ATOM 261 CA MET A 20 1.991 -11.589 -24.466 1.00 0.00 C ATOM 262 C MET A 20 2.288 -11.791 -22.959 1.00 0.00 C ATOM 263 O MET A 20 1.746 -12.709 -22.329 1.00 0.00 O ATOM 264 CB MET A 20 3.078 -12.289 -25.320 1.00 0.00 C ATOM 265 CG MET A 20 2.824 -12.209 -26.829 1.00 0.00 C ATOM 266 SD MET A 20 1.243 -12.950 -27.306 1.00 0.00 S ATOM 267 CE MET A 20 1.185 -12.591 -29.064 1.00 0.00 C ATOM 0 H MET A 20 2.668 -9.829 -25.421 1.00 0.00 H new ATOM 0 HA MET A 20 1.021 -12.037 -24.683 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.046 -11.839 -25.099 1.00 0.00 H new ATOM 0 HB3 MET A 20 3.139 -13.337 -25.026 1.00 0.00 H new ATOM 0 HG2 MET A 20 2.842 -11.165 -27.142 1.00 0.00 H new ATOM 0 HG3 MET A 20 3.632 -12.714 -27.358 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.263 -12.991 -29.487 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.216 -11.512 -29.216 1.00 0.00 H new ATOM 0 HE3 MET A 20 2.041 -13.052 -29.558 1.00 0.00 H new ATOM 277 N THR A 21 3.148 -10.900 -22.415 1.00 0.00 N ATOM 278 CA THR A 21 3.525 -10.855 -20.978 1.00 0.00 C ATOM 279 C THR A 21 4.215 -12.174 -20.535 1.00 0.00 C ATOM 280 O THR A 21 3.578 -13.080 -19.967 1.00 0.00 O ATOM 281 CB THR A 21 2.291 -10.506 -20.065 1.00 0.00 C ATOM 282 OG1 THR A 21 1.633 -9.325 -20.568 1.00 0.00 O ATOM 283 CG2 THR A 21 2.681 -10.268 -18.597 1.00 0.00 C ATOM 0 H THR A 21 3.609 -10.178 -22.969 1.00 0.00 H new ATOM 0 HA THR A 21 4.250 -10.051 -20.854 1.00 0.00 H new ATOM 0 HB THR A 21 1.624 -11.368 -20.095 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.968 -9.019 -19.917 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.789 -10.032 -18.017 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.148 -11.167 -18.194 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.383 -9.437 -18.537 1.00 0.00 H new ATOM 291 N GLY A 22 5.526 -12.277 -20.833 1.00 0.00 N ATOM 292 CA GLY A 22 6.270 -13.539 -20.692 1.00 0.00 C ATOM 293 C GLY A 22 5.891 -14.551 -21.783 1.00 0.00 C ATOM 294 O GLY A 22 5.888 -14.217 -22.977 1.00 0.00 O ATOM 0 H GLY A 22 6.090 -11.498 -21.173 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.340 -13.337 -20.740 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.071 -13.971 -19.711 1.00 0.00 H new ATOM 298 N TRP A 23 5.576 -15.792 -21.375 1.00 0.00 N ATOM 299 CA TRP A 23 5.028 -16.838 -22.273 1.00 0.00 C ATOM 300 C TRP A 23 3.781 -17.482 -21.628 1.00 0.00 C ATOM 301 O TRP A 23 2.664 -17.350 -22.140 1.00 0.00 O ATOM 302 CB TRP A 23 6.096 -17.925 -22.596 1.00 0.00 C ATOM 303 CG TRP A 23 7.215 -17.453 -23.499 1.00 0.00 C ATOM 304 CD1 TRP A 23 8.420 -16.921 -23.125 1.00 0.00 C ATOM 305 CD2 TRP A 23 7.218 -17.474 -24.935 1.00 0.00 C ATOM 306 NE1 TRP A 23 9.160 -16.606 -24.236 1.00 0.00 N ATOM 307 CE2 TRP A 23 8.449 -16.938 -25.358 1.00 0.00 C ATOM 308 CE3 TRP A 23 6.299 -17.897 -25.902 1.00 0.00 C ATOM 309 CZ2 TRP A 23 8.783 -16.811 -26.704 1.00 0.00 C ATOM 310 CZ3 TRP A 23 6.630 -17.770 -27.237 1.00 0.00 C ATOM 311 CH2 TRP A 23 7.863 -17.231 -27.628 1.00 0.00 C ATOM 0 H TRP A 23 5.692 -16.105 -20.411 1.00 0.00 H new ATOM 0 HA TRP A 23 4.743 -16.366 -23.213 1.00 0.00 H new ATOM 0 HB2 TRP A 23 6.527 -18.283 -21.661 1.00 0.00 H new ATOM 0 HB3 TRP A 23 5.601 -18.775 -23.065 1.00 0.00 H new ATOM 0 HD1 TRP A 23 8.741 -16.771 -22.105 1.00 0.00 H new ATOM 0 HE1 TRP A 23 10.092 -16.191 -24.228 1.00 0.00 H new ATOM 0 HE3 TRP A 23 5.347 -18.316 -25.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 9.733 -16.396 -27.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 5.927 -18.091 -27.992 1.00 0.00 H new ATOM 0 HH2 TRP A 23 8.093 -17.145 -28.680 1.00 0.00 H new ATOM 322 N TYR A 24 3.985 -18.159 -20.486 1.00 0.00 N ATOM 323 CA TYR A 24 2.910 -18.882 -19.779 1.00 0.00 C ATOM 324 C TYR A 24 3.229 -18.990 -18.267 1.00 0.00 C ATOM 325 O TYR A 24 4.183 -19.668 -17.873 1.00 0.00 O ATOM 326 CB TYR A 24 2.722 -20.288 -20.416 1.00 0.00 C ATOM 327 CG TYR A 24 1.552 -21.111 -19.840 1.00 0.00 C ATOM 328 CD1 TYR A 24 0.240 -20.925 -20.298 1.00 0.00 C ATOM 329 CD2 TYR A 24 1.757 -22.081 -18.849 1.00 0.00 C ATOM 330 CE1 TYR A 24 -0.810 -21.665 -19.786 1.00 0.00 C ATOM 331 CE2 TYR A 24 0.709 -22.822 -18.340 1.00 0.00 C ATOM 332 CZ TYR A 24 -0.572 -22.613 -18.811 1.00 0.00 C ATOM 333 OH TYR A 24 -1.617 -23.361 -18.311 1.00 0.00 O ATOM 0 H TYR A 24 4.894 -18.222 -20.027 1.00 0.00 H new ATOM 0 HA TYR A 24 1.977 -18.327 -19.879 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.569 -20.167 -21.488 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.644 -20.855 -20.288 1.00 0.00 H new ATOM 0 HD1 TYR A 24 0.046 -20.190 -21.065 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.756 -22.252 -18.476 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -1.814 -21.502 -20.148 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.891 -23.563 -17.576 1.00 0.00 H new ATOM 0 HH TYR A 24 -1.279 -23.983 -17.633 1.00 0.00 H new ATOM 343 N ARG A 25 2.433 -18.285 -17.443 1.00 0.00 N ATOM 344 CA ARG A 25 2.482 -18.356 -15.960 1.00 0.00 C ATOM 345 C ARG A 25 1.038 -18.407 -15.408 1.00 0.00 C ATOM 346 O ARG A 25 0.632 -19.371 -14.752 1.00 0.00 O ATOM 347 CB ARG A 25 3.237 -17.125 -15.360 1.00 0.00 C ATOM 348 CG ARG A 25 4.751 -17.067 -15.669 1.00 0.00 C ATOM 349 CD ARG A 25 5.439 -15.822 -15.074 1.00 0.00 C ATOM 350 NE ARG A 25 6.898 -15.832 -15.300 1.00 0.00 N ATOM 351 CZ ARG A 25 7.753 -14.970 -14.787 1.00 0.00 C ATOM 352 NH1 ARG A 25 7.356 -14.018 -13.998 1.00 0.00 N ATOM 353 NH2 ARG A 25 9.013 -15.098 -15.040 1.00 0.00 N ATOM 0 H ARG A 25 1.724 -17.638 -17.788 1.00 0.00 H new ATOM 0 HA ARG A 25 3.025 -19.256 -15.671 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.771 -16.214 -15.736 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.103 -17.129 -14.278 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.231 -17.963 -15.276 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.897 -17.075 -16.749 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.010 -14.924 -15.519 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.239 -15.775 -14.004 1.00 0.00 H new ATOM 0 HE ARG A 25 7.275 -16.565 -15.901 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.367 -13.928 -13.765 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.033 -13.361 -13.611 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.339 -15.861 -15.633 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.682 -14.436 -14.647 1.00 0.00 H new ATOM 367 N ASN A 26 0.278 -17.345 -15.724 1.00 0.00 N ATOM 368 CA ASN A 26 -1.123 -17.149 -15.286 1.00 0.00 C ATOM 369 C ASN A 26 -1.728 -15.975 -16.081 1.00 0.00 C ATOM 370 O ASN A 26 -2.828 -16.068 -16.631 1.00 0.00 O ATOM 371 CB ASN A 26 -1.193 -16.861 -13.753 1.00 0.00 C ATOM 372 CG ASN A 26 -2.620 -16.670 -13.217 1.00 0.00 C ATOM 373 OD1 ASN A 26 -2.773 -15.832 -12.208 1.00 0.00 O flip ATOM 374 ND2 ASN A 26 -3.574 -17.268 -13.704 1.00 0.00 N flip ATOM 0 H ASN A 26 0.624 -16.580 -16.303 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.692 -18.059 -15.476 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.722 -17.685 -13.217 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -0.611 -15.965 -13.535 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.430 -17.910 -14.483 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.512 -17.123 -13.330 1.00 0.00 H new ATOM 381 N GLY A 27 -0.981 -14.862 -16.109 1.00 0.00 N ATOM 382 CA GLY A 27 -1.365 -13.669 -16.870 1.00 0.00 C ATOM 383 C GLY A 27 -0.628 -12.407 -16.414 1.00 0.00 C ATOM 384 O GLY A 27 -1.109 -11.294 -16.631 1.00 0.00 O ATOM 0 H GLY A 27 -0.098 -14.765 -15.607 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.164 -13.839 -17.928 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.439 -13.512 -16.771 1.00 0.00 H new ATOM 388 N PHE A 28 0.555 -12.585 -15.789 1.00 0.00 N ATOM 389 CA PHE A 28 1.361 -11.466 -15.247 1.00 0.00 C ATOM 390 C PHE A 28 2.871 -11.809 -15.223 1.00 0.00 C ATOM 391 O PHE A 28 3.267 -12.985 -15.203 1.00 0.00 O ATOM 392 CB PHE A 28 0.867 -11.059 -13.820 1.00 0.00 C ATOM 393 CG PHE A 28 1.040 -12.135 -12.738 1.00 0.00 C ATOM 394 CD1 PHE A 28 0.058 -13.104 -12.520 1.00 0.00 C ATOM 395 CD2 PHE A 28 2.185 -12.172 -11.930 1.00 0.00 C ATOM 396 CE1 PHE A 28 0.220 -14.074 -11.546 1.00 0.00 C ATOM 397 CE2 PHE A 28 2.344 -13.143 -10.961 1.00 0.00 C ATOM 398 CZ PHE A 28 1.358 -14.091 -10.765 1.00 0.00 C ATOM 0 H PHE A 28 0.978 -13.502 -15.645 1.00 0.00 H new ATOM 0 HA PHE A 28 1.224 -10.615 -15.915 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.404 -10.163 -13.508 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.188 -10.793 -13.880 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.840 -13.096 -13.120 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.956 -11.428 -12.068 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.547 -14.820 -11.397 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.239 -13.161 -10.357 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.478 -14.845 -10.001 1.00 0.00 H new ATOM 408 N CYS A 29 3.692 -10.754 -15.231 1.00 0.00 N ATOM 409 CA CYS A 29 5.160 -10.841 -15.036 1.00 0.00 C ATOM 410 C CYS A 29 5.652 -9.627 -14.222 1.00 0.00 C ATOM 411 O CYS A 29 4.958 -8.605 -14.138 1.00 0.00 O ATOM 412 CB CYS A 29 5.904 -10.900 -16.396 1.00 0.00 C ATOM 413 SG CYS A 29 5.779 -9.387 -17.385 1.00 0.00 S ATOM 0 H CYS A 29 3.361 -9.800 -15.374 1.00 0.00 H new ATOM 0 HA CYS A 29 5.377 -11.759 -14.490 1.00 0.00 H new ATOM 0 HB2 CYS A 29 6.957 -11.113 -16.211 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.508 -11.733 -16.977 1.00 0.00 H new ATOM 0 HG CYS A 29 6.435 -9.540 -18.497 1.00 0.00 H new ATOM 419 N GLN A 30 6.846 -9.748 -13.616 1.00 0.00 N ATOM 420 CA GLN A 30 7.450 -8.667 -12.799 1.00 0.00 C ATOM 421 C GLN A 30 8.039 -7.546 -13.702 1.00 0.00 C ATOM 422 O GLN A 30 7.428 -6.478 -13.843 1.00 0.00 O ATOM 423 CB GLN A 30 8.532 -9.241 -11.822 1.00 0.00 C ATOM 424 CG GLN A 30 7.982 -10.092 -10.642 1.00 0.00 C ATOM 425 CD GLN A 30 7.337 -11.428 -11.052 1.00 0.00 C ATOM 426 OE1 GLN A 30 7.717 -12.042 -12.049 1.00 0.00 O ATOM 427 NE2 GLN A 30 6.361 -11.888 -10.287 1.00 0.00 N ATOM 0 H GLN A 30 7.420 -10.589 -13.674 1.00 0.00 H new ATOM 0 HA GLN A 30 6.661 -8.221 -12.194 1.00 0.00 H new ATOM 0 HB2 GLN A 30 9.227 -9.854 -12.396 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.104 -8.409 -11.412 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.798 -10.297 -9.949 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.244 -9.501 -10.099 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.065 -11.360 -9.466 1.00 0.00 H new ATOM 0 HE22 GLN A 30 5.905 -12.771 -10.518 1.00 0.00 H new ATOM 436 N THR A 31 9.205 -7.811 -14.331 1.00 0.00 N ATOM 437 CA THR A 31 9.890 -6.828 -15.214 1.00 0.00 C ATOM 438 C THR A 31 10.965 -7.513 -16.101 1.00 0.00 C ATOM 439 O THR A 31 11.126 -8.742 -16.066 1.00 0.00 O ATOM 440 CB THR A 31 10.548 -5.655 -14.380 1.00 0.00 C ATOM 441 OG1 THR A 31 10.930 -4.570 -15.249 1.00 0.00 O ATOM 442 CG2 THR A 31 11.779 -6.126 -13.572 1.00 0.00 C ATOM 0 H THR A 31 9.697 -8.700 -14.246 1.00 0.00 H new ATOM 0 HA THR A 31 9.125 -6.402 -15.863 1.00 0.00 H new ATOM 0 HB THR A 31 9.794 -5.313 -13.671 1.00 0.00 H new ATOM 0 HG1 THR A 31 11.334 -3.852 -14.718 1.00 0.00 H new ATOM 0 HG21 THR A 31 12.194 -5.284 -13.017 1.00 0.00 H new ATOM 0 HG22 THR A 31 11.479 -6.908 -12.874 1.00 0.00 H new ATOM 0 HG23 THR A 31 12.533 -6.518 -14.254 1.00 0.00 H new ATOM 450 N ASP A 32 11.684 -6.705 -16.903 1.00 0.00 N ATOM 451 CA ASP A 32 12.850 -7.160 -17.688 1.00 0.00 C ATOM 452 C ASP A 32 14.089 -7.290 -16.777 1.00 0.00 C ATOM 453 O ASP A 32 14.234 -6.539 -15.805 1.00 0.00 O ATOM 454 CB ASP A 32 13.161 -6.158 -18.822 1.00 0.00 C ATOM 455 CG ASP A 32 11.939 -5.837 -19.683 1.00 0.00 C ATOM 456 OD1 ASP A 32 11.686 -6.559 -20.671 1.00 0.00 O ATOM 457 OD2 ASP A 32 11.214 -4.870 -19.366 1.00 0.00 O ATOM 0 H ASP A 32 11.473 -5.715 -17.026 1.00 0.00 H new ATOM 0 HA ASP A 32 12.611 -8.132 -18.120 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.547 -5.235 -18.389 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.948 -6.567 -19.455 1.00 0.00 H new ATOM 462 N VAL A 33 14.993 -8.221 -17.126 1.00 0.00 N ATOM 463 CA VAL A 33 16.245 -8.461 -16.366 1.00 0.00 C ATOM 464 C VAL A 33 17.169 -7.203 -16.351 1.00 0.00 C ATOM 465 O VAL A 33 17.932 -6.985 -15.399 1.00 0.00 O ATOM 466 CB VAL A 33 17.025 -9.711 -16.941 1.00 0.00 C ATOM 467 CG1 VAL A 33 17.497 -9.479 -18.406 1.00 0.00 C ATOM 468 CG2 VAL A 33 18.207 -10.131 -16.016 1.00 0.00 C ATOM 0 H VAL A 33 14.883 -8.829 -17.938 1.00 0.00 H new ATOM 0 HA VAL A 33 15.958 -8.672 -15.336 1.00 0.00 H new ATOM 0 HB VAL A 33 16.320 -10.542 -16.961 1.00 0.00 H new ATOM 0 HG11 VAL A 33 18.028 -10.362 -18.761 1.00 0.00 H new ATOM 0 HG12 VAL A 33 16.631 -9.296 -19.042 1.00 0.00 H new ATOM 0 HG13 VAL A 33 18.163 -8.617 -18.442 1.00 0.00 H new ATOM 0 HG21 VAL A 33 18.717 -10.993 -16.446 1.00 0.00 H new ATOM 0 HG22 VAL A 33 18.909 -9.302 -15.924 1.00 0.00 H new ATOM 0 HG23 VAL A 33 17.822 -10.392 -15.030 1.00 0.00 H new ATOM 478 N GLN A 34 17.078 -6.384 -17.419 1.00 0.00 N ATOM 479 CA GLN A 34 17.862 -5.133 -17.571 1.00 0.00 C ATOM 480 C GLN A 34 17.322 -3.993 -16.664 1.00 0.00 C ATOM 481 O GLN A 34 18.083 -3.107 -16.253 1.00 0.00 O ATOM 482 CB GLN A 34 17.864 -4.697 -19.065 1.00 0.00 C ATOM 483 CG GLN A 34 16.470 -4.376 -19.642 1.00 0.00 C ATOM 484 CD GLN A 34 16.494 -4.009 -21.120 1.00 0.00 C ATOM 485 OE1 GLN A 34 16.332 -4.855 -21.986 1.00 0.00 O ATOM 486 NE2 GLN A 34 16.723 -2.750 -21.421 1.00 0.00 N ATOM 0 H GLN A 34 16.456 -6.570 -18.206 1.00 0.00 H new ATOM 0 HA GLN A 34 18.885 -5.333 -17.251 1.00 0.00 H new ATOM 0 HB2 GLN A 34 18.499 -3.817 -19.172 1.00 0.00 H new ATOM 0 HB3 GLN A 34 18.316 -5.490 -19.661 1.00 0.00 H new ATOM 0 HG2 GLN A 34 15.819 -5.239 -19.501 1.00 0.00 H new ATOM 0 HG3 GLN A 34 16.033 -3.552 -19.078 1.00 0.00 H new ATOM 0 HE21 GLN A 34 16.855 -2.064 -20.678 1.00 0.00 H new ATOM 0 HE22 GLN A 34 16.769 -2.459 -22.398 1.00 0.00 H new ATOM 495 N ASP A 35 16.006 -4.025 -16.358 1.00 0.00 N ATOM 496 CA ASP A 35 15.354 -3.024 -15.491 1.00 0.00 C ATOM 497 C ASP A 35 15.616 -3.322 -13.996 1.00 0.00 C ATOM 498 O ASP A 35 14.915 -4.122 -13.363 1.00 0.00 O ATOM 499 CB ASP A 35 13.835 -2.946 -15.789 1.00 0.00 C ATOM 500 CG ASP A 35 13.538 -2.264 -17.132 1.00 0.00 C ATOM 501 OD1 ASP A 35 13.714 -2.900 -18.189 1.00 0.00 O ATOM 502 OD2 ASP A 35 13.159 -1.074 -17.138 1.00 0.00 O ATOM 0 H ASP A 35 15.370 -4.743 -16.705 1.00 0.00 H new ATOM 0 HA ASP A 35 15.792 -2.051 -15.713 1.00 0.00 H new ATOM 0 HB2 ASP A 35 13.416 -3.952 -15.795 1.00 0.00 H new ATOM 0 HB3 ASP A 35 13.338 -2.398 -14.988 1.00 0.00 H new ATOM 507 N ARG A 36 16.664 -2.680 -13.464 1.00 0.00 N ATOM 508 CA ARG A 36 17.044 -2.756 -12.042 1.00 0.00 C ATOM 509 C ARG A 36 16.306 -1.658 -11.227 1.00 0.00 C ATOM 510 O ARG A 36 16.834 -0.557 -11.010 1.00 0.00 O ATOM 511 CB ARG A 36 18.589 -2.625 -11.925 1.00 0.00 C ATOM 512 CG ARG A 36 19.393 -3.797 -12.550 1.00 0.00 C ATOM 513 CD ARG A 36 19.290 -5.099 -11.725 1.00 0.00 C ATOM 514 NE ARG A 36 19.888 -4.934 -10.381 1.00 0.00 N ATOM 515 CZ ARG A 36 19.265 -5.081 -9.228 1.00 0.00 C ATOM 516 NH1 ARG A 36 18.015 -5.437 -9.169 1.00 0.00 N ATOM 517 NH2 ARG A 36 19.906 -4.860 -8.132 1.00 0.00 N ATOM 0 H ARG A 36 17.282 -2.084 -14.015 1.00 0.00 H new ATOM 0 HA ARG A 36 16.746 -3.718 -11.625 1.00 0.00 H new ATOM 0 HB2 ARG A 36 18.898 -1.696 -12.404 1.00 0.00 H new ATOM 0 HB3 ARG A 36 18.853 -2.544 -10.871 1.00 0.00 H new ATOM 0 HG2 ARG A 36 19.030 -3.983 -13.561 1.00 0.00 H new ATOM 0 HG3 ARG A 36 20.441 -3.508 -12.636 1.00 0.00 H new ATOM 0 HD2 ARG A 36 18.244 -5.388 -11.627 1.00 0.00 H new ATOM 0 HD3 ARG A 36 19.795 -5.908 -12.253 1.00 0.00 H new ATOM 0 HE ARG A 36 20.876 -4.683 -10.343 1.00 0.00 H new ATOM 0 HH11 ARG A 36 17.493 -5.610 -10.028 1.00 0.00 H new ATOM 0 HH12 ARG A 36 17.557 -5.543 -8.264 1.00 0.00 H new ATOM 0 HH21 ARG A 36 20.885 -4.575 -8.162 1.00 0.00 H new ATOM 0 HH22 ARG A 36 19.435 -4.970 -7.234 1.00 0.00 H new ATOM 531 N GLY A 37 15.058 -1.965 -10.824 1.00 0.00 N ATOM 532 CA GLY A 37 14.208 -1.020 -10.077 1.00 0.00 C ATOM 533 C GLY A 37 13.471 -0.017 -10.983 1.00 0.00 C ATOM 534 O GLY A 37 13.971 1.083 -11.244 1.00 0.00 O ATOM 0 H GLY A 37 14.615 -2.866 -11.005 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.476 -1.581 -9.497 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.825 -0.471 -9.366 1.00 0.00 H new ATOM 538 N SER A 38 12.285 -0.407 -11.470 1.00 0.00 N ATOM 539 CA SER A 38 11.430 0.444 -12.346 1.00 0.00 C ATOM 540 C SER A 38 10.456 1.319 -11.484 1.00 0.00 C ATOM 541 O SER A 38 10.732 1.581 -10.307 1.00 0.00 O ATOM 542 CB SER A 38 10.665 -0.485 -13.330 1.00 0.00 C ATOM 543 OG SER A 38 9.937 0.243 -14.302 1.00 0.00 O ATOM 0 H SER A 38 11.880 -1.322 -11.274 1.00 0.00 H new ATOM 0 HA SER A 38 12.044 1.138 -12.920 1.00 0.00 H new ATOM 0 HB2 SER A 38 11.375 -1.144 -13.830 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.981 -1.121 -12.768 1.00 0.00 H new ATOM 0 HG SER A 38 9.474 -0.381 -14.899 1.00 0.00 H new ATOM 549 N HIS A 39 9.329 1.785 -12.060 1.00 0.00 N ATOM 550 CA HIS A 39 8.312 2.609 -11.340 1.00 0.00 C ATOM 551 C HIS A 39 6.978 1.814 -11.149 1.00 0.00 C ATOM 552 O HIS A 39 5.904 2.391 -10.938 1.00 0.00 O ATOM 553 CB HIS A 39 8.108 3.920 -12.158 1.00 0.00 C ATOM 554 CG HIS A 39 7.210 4.956 -11.524 1.00 0.00 C ATOM 555 ND1 HIS A 39 5.938 5.233 -11.983 1.00 0.00 N ATOM 556 CD2 HIS A 39 7.397 5.771 -10.457 1.00 0.00 C ATOM 557 CE1 HIS A 39 5.387 6.160 -11.233 1.00 0.00 C ATOM 558 NE2 HIS A 39 6.246 6.503 -10.300 1.00 0.00 N ATOM 0 H HIS A 39 9.090 1.606 -13.035 1.00 0.00 H new ATOM 0 HA HIS A 39 8.656 2.857 -10.336 1.00 0.00 H new ATOM 0 HB2 HIS A 39 9.084 4.372 -12.335 1.00 0.00 H new ATOM 0 HB3 HIS A 39 7.697 3.658 -13.133 1.00 0.00 H new ATOM 0 HD2 HIS A 39 8.285 5.833 -9.845 1.00 0.00 H new ATOM 0 HE1 HIS A 39 4.396 6.570 -11.361 1.00 0.00 H new ATOM 0 HE2 HIS A 39 6.084 7.202 -9.575 1.00 0.00 H new ATOM 567 N THR A 40 7.069 0.473 -11.146 1.00 0.00 N ATOM 568 CA THR A 40 5.882 -0.421 -11.182 1.00 0.00 C ATOM 569 C THR A 40 5.444 -0.877 -9.753 1.00 0.00 C ATOM 570 O THR A 40 6.152 -1.637 -9.075 1.00 0.00 O ATOM 571 CB THR A 40 6.179 -1.688 -12.068 1.00 0.00 C ATOM 572 OG1 THR A 40 7.116 -2.545 -11.415 1.00 0.00 O ATOM 573 CG2 THR A 40 6.767 -1.330 -13.437 1.00 0.00 C ATOM 0 H THR A 40 7.958 -0.026 -11.119 1.00 0.00 H new ATOM 0 HA THR A 40 5.064 0.152 -11.617 1.00 0.00 H new ATOM 0 HB THR A 40 5.218 -2.183 -12.211 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.901 -2.598 -10.460 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.951 -2.243 -14.004 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.064 -0.700 -13.982 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.705 -0.792 -13.301 1.00 0.00 H new ATOM 581 N VAL A 41 4.279 -0.375 -9.280 1.00 0.00 N ATOM 582 CA VAL A 41 3.673 -0.796 -7.986 1.00 0.00 C ATOM 583 C VAL A 41 2.169 -1.130 -8.180 1.00 0.00 C ATOM 584 O VAL A 41 1.445 -0.397 -8.868 1.00 0.00 O ATOM 585 CB VAL A 41 3.802 0.303 -6.852 1.00 0.00 C ATOM 586 CG1 VAL A 41 3.347 -0.276 -5.481 1.00 0.00 C ATOM 587 CG2 VAL A 41 5.232 0.898 -6.750 1.00 0.00 C ATOM 0 H VAL A 41 3.733 0.328 -9.777 1.00 0.00 H new ATOM 0 HA VAL A 41 4.229 -1.677 -7.664 1.00 0.00 H new ATOM 0 HB VAL A 41 3.142 1.125 -7.130 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.442 0.491 -4.713 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.307 -0.596 -5.548 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.973 -1.129 -5.221 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.260 1.645 -5.957 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.942 0.102 -6.524 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.500 1.365 -7.698 1.00 0.00 H new ATOM 597 N CYS A 42 1.709 -2.235 -7.562 1.00 0.00 N ATOM 598 CA CYS A 42 0.281 -2.633 -7.540 1.00 0.00 C ATOM 599 C CYS A 42 -0.153 -2.969 -6.096 1.00 0.00 C ATOM 600 O CYS A 42 0.270 -3.975 -5.527 1.00 0.00 O ATOM 601 CB CYS A 42 0.041 -3.838 -8.477 1.00 0.00 C ATOM 602 SG CYS A 42 0.424 -3.507 -10.214 1.00 0.00 S ATOM 0 H CYS A 42 2.317 -2.882 -7.061 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.322 -1.799 -7.899 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.647 -4.677 -8.135 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.002 -4.145 -8.398 1.00 0.00 H new ATOM 0 HG CYS A 42 0.270 -4.596 -10.907 1.00 0.00 H new ATOM 608 N ALA A 43 -1.013 -2.128 -5.518 1.00 0.00 N ATOM 609 CA ALA A 43 -1.411 -2.207 -4.102 1.00 0.00 C ATOM 610 C ALA A 43 -2.897 -1.887 -3.971 1.00 0.00 C ATOM 611 O ALA A 43 -3.452 -1.160 -4.809 1.00 0.00 O ATOM 612 CB ALA A 43 -0.560 -1.245 -3.258 1.00 0.00 C ATOM 0 H ALA A 43 -1.461 -1.362 -6.022 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.240 -3.218 -3.731 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.863 -1.312 -2.213 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.492 -1.515 -3.349 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.705 -0.225 -3.613 1.00 0.00 H new ATOM 618 N GLU A 44 -3.563 -2.434 -2.948 1.00 0.00 N ATOM 619 CA GLU A 44 -5.012 -2.253 -2.785 1.00 0.00 C ATOM 620 C GLU A 44 -5.350 -1.563 -1.458 1.00 0.00 C ATOM 621 O GLU A 44 -5.210 -2.161 -0.393 1.00 0.00 O ATOM 622 CB GLU A 44 -5.723 -3.617 -2.866 1.00 0.00 C ATOM 623 CG GLU A 44 -7.206 -3.527 -3.184 1.00 0.00 C ATOM 624 CD GLU A 44 -7.886 -4.904 -3.234 1.00 0.00 C ATOM 625 OE1 GLU A 44 -7.613 -5.667 -4.182 1.00 0.00 O ATOM 626 OE2 GLU A 44 -8.686 -5.226 -2.325 1.00 0.00 O ATOM 0 H GLU A 44 -3.126 -3.003 -2.223 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.362 -1.610 -3.593 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.235 -4.224 -3.629 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.597 -4.137 -1.916 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.698 -2.910 -2.432 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.338 -3.026 -4.143 1.00 0.00 H new ATOM 633 N MET A 45 -5.780 -0.297 -1.530 1.00 0.00 N ATOM 634 CA MET A 45 -6.328 0.427 -0.381 1.00 0.00 C ATOM 635 C MET A 45 -7.859 0.291 -0.348 1.00 0.00 C ATOM 636 O MET A 45 -8.520 0.533 -1.354 1.00 0.00 O ATOM 637 CB MET A 45 -5.914 1.910 -0.450 1.00 0.00 C ATOM 638 CG MET A 45 -4.396 2.129 -0.520 1.00 0.00 C ATOM 639 SD MET A 45 -3.938 3.843 -0.239 1.00 0.00 S ATOM 640 CE MET A 45 -4.531 4.083 1.434 1.00 0.00 C ATOM 0 H MET A 45 -5.757 0.253 -2.389 1.00 0.00 H new ATOM 0 HA MET A 45 -5.927 -0.004 0.536 1.00 0.00 H new ATOM 0 HB2 MET A 45 -6.378 2.366 -1.324 1.00 0.00 H new ATOM 0 HB3 MET A 45 -6.306 2.428 0.425 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.906 1.498 0.222 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.031 1.814 -1.497 1.00 0.00 H new ATOM 0 HE1 MET A 45 -4.095 4.992 1.848 1.00 0.00 H new ATOM 0 HE2 MET A 45 -5.617 4.173 1.426 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.243 3.230 2.048 1.00 0.00 H new ATOM 650 N THR A 46 -8.401 -0.088 0.820 1.00 0.00 N ATOM 651 CA THR A 46 -9.863 -0.241 1.036 1.00 0.00 C ATOM 652 C THR A 46 -10.481 1.126 1.358 1.00 0.00 C ATOM 653 O THR A 46 -9.748 2.053 1.659 1.00 0.00 O ATOM 654 CB THR A 46 -10.165 -1.202 2.232 1.00 0.00 C ATOM 655 OG1 THR A 46 -9.758 -0.592 3.471 1.00 0.00 O ATOM 656 CG2 THR A 46 -9.453 -2.559 2.076 1.00 0.00 C ATOM 0 H THR A 46 -7.844 -0.299 1.648 1.00 0.00 H new ATOM 0 HA THR A 46 -10.290 -0.658 0.124 1.00 0.00 H new ATOM 0 HB THR A 46 -11.240 -1.382 2.238 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.923 -1.002 3.779 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.691 -3.195 2.929 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.788 -3.042 1.158 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.375 -2.401 2.030 1.00 0.00 H new ATOM 664 N GLU A 47 -11.822 1.243 1.339 1.00 0.00 N ATOM 665 CA GLU A 47 -12.500 2.524 1.653 1.00 0.00 C ATOM 666 C GLU A 47 -12.211 2.956 3.103 1.00 0.00 C ATOM 667 O GLU A 47 -12.025 4.131 3.376 1.00 0.00 O ATOM 668 CB GLU A 47 -14.031 2.429 1.428 1.00 0.00 C ATOM 669 CG GLU A 47 -14.769 3.780 1.606 1.00 0.00 C ATOM 670 CD GLU A 47 -16.301 3.659 1.537 1.00 0.00 C ATOM 671 OE1 GLU A 47 -16.901 3.101 2.481 1.00 0.00 O ATOM 672 OE2 GLU A 47 -16.914 4.134 0.558 1.00 0.00 O ATOM 0 H GLU A 47 -12.456 0.477 1.112 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.101 3.275 0.972 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -14.219 2.051 0.423 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.448 1.702 2.125 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.490 4.213 2.567 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -14.433 4.473 0.835 1.00 0.00 H new ATOM 679 N GLU A 48 -12.147 1.969 4.004 1.00 0.00 N ATOM 680 CA GLU A 48 -11.811 2.169 5.418 1.00 0.00 C ATOM 681 C GLU A 48 -10.461 2.922 5.583 1.00 0.00 C ATOM 682 O GLU A 48 -10.393 3.984 6.214 1.00 0.00 O ATOM 683 CB GLU A 48 -11.751 0.776 6.097 1.00 0.00 C ATOM 684 CG GLU A 48 -11.413 0.783 7.591 1.00 0.00 C ATOM 685 CD GLU A 48 -12.517 1.391 8.482 1.00 0.00 C ATOM 686 OE1 GLU A 48 -13.435 0.647 8.896 1.00 0.00 O ATOM 687 OE2 GLU A 48 -12.487 2.612 8.762 1.00 0.00 O ATOM 0 H GLU A 48 -12.330 0.994 3.767 1.00 0.00 H new ATOM 0 HA GLU A 48 -12.574 2.788 5.890 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.715 0.284 5.963 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.009 0.170 5.578 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.222 -0.240 7.914 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.490 1.343 7.741 1.00 0.00 H new ATOM 694 N PHE A 49 -9.409 2.360 4.971 1.00 0.00 N ATOM 695 CA PHE A 49 -8.028 2.885 5.071 1.00 0.00 C ATOM 696 C PHE A 49 -7.787 4.118 4.163 1.00 0.00 C ATOM 697 O PHE A 49 -6.962 4.971 4.492 1.00 0.00 O ATOM 698 CB PHE A 49 -7.012 1.753 4.771 1.00 0.00 C ATOM 699 CG PHE A 49 -7.186 0.526 5.671 1.00 0.00 C ATOM 700 CD1 PHE A 49 -7.276 0.661 7.055 1.00 0.00 C ATOM 701 CD2 PHE A 49 -7.267 -0.757 5.138 1.00 0.00 C ATOM 702 CE1 PHE A 49 -7.436 -0.446 7.871 1.00 0.00 C ATOM 703 CE2 PHE A 49 -7.428 -1.862 5.948 1.00 0.00 C ATOM 704 CZ PHE A 49 -7.513 -1.708 7.315 1.00 0.00 C ATOM 0 H PHE A 49 -9.486 1.526 4.389 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.881 3.234 6.093 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.116 1.448 3.730 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.001 2.141 4.890 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -7.220 1.644 7.498 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -7.202 -0.890 4.068 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -7.501 -0.323 8.942 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.487 -2.848 5.511 1.00 0.00 H new ATOM 0 HZ PHE A 49 -7.640 -2.572 7.950 1.00 0.00 H new ATOM 714 N LEU A 50 -8.504 4.199 3.019 1.00 0.00 N ATOM 715 CA LEU A 50 -8.350 5.284 2.042 1.00 0.00 C ATOM 716 C LEU A 50 -9.016 6.579 2.570 1.00 0.00 C ATOM 717 O LEU A 50 -8.491 7.686 2.392 1.00 0.00 O ATOM 718 CB LEU A 50 -8.973 4.829 0.695 1.00 0.00 C ATOM 719 CG LEU A 50 -8.674 5.712 -0.540 1.00 0.00 C ATOM 720 CD1 LEU A 50 -7.160 5.765 -0.840 1.00 0.00 C ATOM 721 CD2 LEU A 50 -9.477 5.236 -1.776 1.00 0.00 C ATOM 0 H LEU A 50 -9.206 3.508 2.753 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.294 5.505 1.886 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.625 3.818 0.483 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.054 4.774 0.821 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.997 6.727 -0.307 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.984 6.393 -1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.633 6.181 0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.793 4.758 -1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -9.246 5.875 -2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.207 4.207 -2.011 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.544 5.291 -1.560 1.00 0.00 H new ATOM 733 N LEU A 51 -10.183 6.407 3.231 1.00 0.00 N ATOM 734 CA LEU A 51 -10.852 7.476 4.004 1.00 0.00 C ATOM 735 C LEU A 51 -9.967 7.934 5.186 1.00 0.00 C ATOM 736 O LEU A 51 -9.765 9.124 5.360 1.00 0.00 O ATOM 737 CB LEU A 51 -12.251 7.006 4.533 1.00 0.00 C ATOM 738 CG LEU A 51 -13.435 7.028 3.512 1.00 0.00 C ATOM 739 CD1 LEU A 51 -14.735 6.482 4.156 1.00 0.00 C ATOM 740 CD2 LEU A 51 -13.650 8.450 2.948 1.00 0.00 C ATOM 0 H LEU A 51 -10.688 5.521 3.243 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.006 8.320 3.331 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.147 5.989 4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -12.522 7.635 5.381 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.174 6.373 2.681 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -15.542 6.508 3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -14.575 5.455 4.483 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -15.003 7.099 5.014 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.479 8.439 2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.879 9.135 3.765 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.744 8.781 2.441 1.00 0.00 H new ATOM 752 N PHE A 52 -9.421 6.964 5.966 1.00 0.00 N ATOM 753 CA PHE A 52 -8.653 7.265 7.209 1.00 0.00 C ATOM 754 C PHE A 52 -7.336 8.039 6.926 1.00 0.00 C ATOM 755 O PHE A 52 -6.995 8.977 7.667 1.00 0.00 O ATOM 756 CB PHE A 52 -8.343 5.975 8.013 1.00 0.00 C ATOM 757 CG PHE A 52 -7.692 6.258 9.373 1.00 0.00 C ATOM 758 CD1 PHE A 52 -8.455 6.728 10.446 1.00 0.00 C ATOM 759 CD2 PHE A 52 -6.322 6.081 9.575 1.00 0.00 C ATOM 760 CE1 PHE A 52 -7.866 7.015 11.665 1.00 0.00 C ATOM 761 CE2 PHE A 52 -5.738 6.366 10.796 1.00 0.00 C ATOM 762 CZ PHE A 52 -6.509 6.828 11.841 1.00 0.00 C ATOM 0 H PHE A 52 -9.497 5.968 5.759 1.00 0.00 H new ATOM 0 HA PHE A 52 -9.295 7.910 7.808 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -9.268 5.419 8.168 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.682 5.337 7.426 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -9.519 6.869 10.322 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.708 5.716 8.765 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.469 7.386 12.481 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.676 6.226 10.931 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.053 7.043 12.796 1.00 0.00 H new ATOM 772 N SER A 53 -6.613 7.627 5.863 1.00 0.00 N ATOM 773 CA SER A 53 -5.353 8.294 5.422 1.00 0.00 C ATOM 774 C SER A 53 -5.596 9.794 5.142 1.00 0.00 C ATOM 775 O SER A 53 -4.767 10.652 5.472 1.00 0.00 O ATOM 776 CB SER A 53 -4.785 7.594 4.160 1.00 0.00 C ATOM 777 OG SER A 53 -3.590 8.209 3.694 1.00 0.00 O ATOM 0 H SER A 53 -6.877 6.829 5.285 1.00 0.00 H new ATOM 0 HA SER A 53 -4.622 8.211 6.226 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.588 6.546 4.386 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.534 7.614 3.368 1.00 0.00 H new ATOM 0 HG SER A 53 -2.900 8.151 4.388 1.00 0.00 H new ATOM 783 N ARG A 54 -6.761 10.087 4.535 1.00 0.00 N ATOM 784 CA ARG A 54 -7.232 11.468 4.311 1.00 0.00 C ATOM 785 C ARG A 54 -7.837 12.098 5.586 1.00 0.00 C ATOM 786 O ARG A 54 -7.648 13.285 5.827 1.00 0.00 O ATOM 787 CB ARG A 54 -8.270 11.508 3.165 1.00 0.00 C ATOM 788 CG ARG A 54 -7.726 11.032 1.804 1.00 0.00 C ATOM 789 CD ARG A 54 -8.672 11.377 0.645 1.00 0.00 C ATOM 790 NE ARG A 54 -8.921 12.836 0.573 1.00 0.00 N ATOM 791 CZ ARG A 54 -8.409 13.667 -0.313 1.00 0.00 C ATOM 792 NH1 ARG A 54 -7.615 13.256 -1.256 1.00 0.00 N ATOM 793 NH2 ARG A 54 -8.700 14.920 -0.244 1.00 0.00 N ATOM 0 H ARG A 54 -7.402 9.375 4.186 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.358 12.058 4.034 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.123 10.887 3.440 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.639 12.528 3.060 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.753 11.489 1.624 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -7.571 9.954 1.834 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -8.241 11.032 -0.295 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -9.617 10.850 0.774 1.00 0.00 H new ATOM 0 HE ARG A 54 -9.546 13.234 1.274 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.373 12.267 -1.324 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.234 13.922 -1.928 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -9.321 15.260 0.491 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -8.310 15.572 -0.924 1.00 0.00 H new ATOM 807 N ASP A 55 -8.512 11.279 6.425 1.00 0.00 N ATOM 808 CA ASP A 55 -9.385 11.760 7.538 1.00 0.00 C ATOM 809 C ASP A 55 -8.590 12.576 8.586 1.00 0.00 C ATOM 810 O ASP A 55 -9.162 13.344 9.369 1.00 0.00 O ATOM 811 CB ASP A 55 -10.093 10.552 8.212 1.00 0.00 C ATOM 812 CG ASP A 55 -11.231 10.957 9.165 1.00 0.00 C ATOM 813 OD1 ASP A 55 -12.365 11.170 8.692 1.00 0.00 O ATOM 814 OD2 ASP A 55 -10.998 11.056 10.387 1.00 0.00 O ATOM 0 H ASP A 55 -8.471 10.262 6.355 1.00 0.00 H new ATOM 0 HA ASP A 55 -10.134 12.427 7.111 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -10.495 9.899 7.437 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.355 9.973 8.767 1.00 0.00 H new ATOM 819 N ARG A 56 -7.266 12.384 8.594 1.00 0.00 N ATOM 820 CA ARG A 56 -6.341 13.248 9.330 1.00 0.00 C ATOM 821 C ARG A 56 -6.027 14.506 8.476 1.00 0.00 C ATOM 822 O ARG A 56 -5.146 14.485 7.609 1.00 0.00 O ATOM 823 CB ARG A 56 -5.060 12.447 9.695 1.00 0.00 C ATOM 824 CG ARG A 56 -5.305 11.090 10.422 1.00 0.00 C ATOM 825 CD ARG A 56 -6.005 11.224 11.805 1.00 0.00 C ATOM 826 NE ARG A 56 -7.442 11.577 11.702 1.00 0.00 N ATOM 827 CZ ARG A 56 -8.174 12.107 12.659 1.00 0.00 C ATOM 828 NH1 ARG A 56 -7.681 12.346 13.831 1.00 0.00 N ATOM 829 NH2 ARG A 56 -9.407 12.409 12.421 1.00 0.00 N ATOM 0 H ARG A 56 -6.807 11.625 8.090 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.792 13.585 10.264 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.500 12.254 8.780 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.430 13.071 10.329 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.912 10.452 9.780 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.348 10.586 10.559 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.907 10.283 12.347 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.492 11.986 12.392 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.904 11.393 10.811 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.706 12.123 14.029 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.268 12.757 14.557 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.805 12.236 11.498 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.982 12.820 13.156 1.00 0.00 H new ATOM 843 N GLY A 57 -6.833 15.571 8.665 1.00 0.00 N ATOM 844 CA GLY A 57 -6.649 16.849 7.952 1.00 0.00 C ATOM 845 C GLY A 57 -7.467 16.975 6.650 1.00 0.00 C ATOM 846 O GLY A 57 -8.345 17.835 6.538 1.00 0.00 O ATOM 0 H GLY A 57 -7.623 15.569 9.311 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.923 17.666 8.619 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.592 16.971 7.716 1.00 0.00 H new ATOM 850 N ASN A 58 -7.195 16.088 5.670 1.00 0.00 N ATOM 851 CA ASN A 58 -7.737 16.188 4.272 1.00 0.00 C ATOM 852 C ASN A 58 -9.020 15.322 4.083 1.00 0.00 C ATOM 853 O ASN A 58 -9.262 14.782 2.991 1.00 0.00 O ATOM 854 CB ASN A 58 -6.628 15.733 3.276 1.00 0.00 C ATOM 855 CG ASN A 58 -5.317 16.507 3.448 1.00 0.00 C ATOM 856 OD1 ASN A 58 -5.100 17.539 2.826 1.00 0.00 O ATOM 857 ND2 ASN A 58 -4.437 16.011 4.300 1.00 0.00 N ATOM 0 H ASN A 58 -6.594 15.276 5.812 1.00 0.00 H new ATOM 0 HA ASN A 58 -8.020 17.223 4.079 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -6.437 14.669 3.415 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.989 15.862 2.255 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.550 16.490 4.453 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.645 15.149 4.804 1.00 0.00 H new ATOM 864 N ASP A 59 -9.846 15.261 5.146 1.00 0.00 N ATOM 865 CA ASP A 59 -11.001 14.321 5.290 1.00 0.00 C ATOM 866 C ASP A 59 -11.951 14.245 4.066 1.00 0.00 C ATOM 867 O ASP A 59 -12.450 13.161 3.737 1.00 0.00 O ATOM 868 CB ASP A 59 -11.789 14.680 6.577 1.00 0.00 C ATOM 869 CG ASP A 59 -12.056 16.190 6.720 1.00 0.00 C ATOM 870 OD1 ASP A 59 -12.930 16.732 6.011 1.00 0.00 O ATOM 871 OD2 ASP A 59 -11.370 16.849 7.529 1.00 0.00 O ATOM 0 H ASP A 59 -9.735 15.874 5.954 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.572 13.322 5.359 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.740 14.148 6.574 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.231 14.332 7.446 1.00 0.00 H new ATOM 876 N LEU A 60 -12.219 15.399 3.427 1.00 0.00 N ATOM 877 CA LEU A 60 -13.011 15.462 2.174 1.00 0.00 C ATOM 878 C LEU A 60 -12.331 14.625 1.041 1.00 0.00 C ATOM 879 O LEU A 60 -11.395 15.075 0.373 1.00 0.00 O ATOM 880 CB LEU A 60 -13.308 16.949 1.741 1.00 0.00 C ATOM 881 CG LEU A 60 -12.114 17.882 1.303 1.00 0.00 C ATOM 882 CD1 LEU A 60 -12.629 19.243 0.793 1.00 0.00 C ATOM 883 CD2 LEU A 60 -11.069 18.090 2.422 1.00 0.00 C ATOM 0 H LEU A 60 -11.898 16.309 3.757 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.983 15.007 2.366 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -14.016 16.913 0.913 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.816 17.437 2.573 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.610 17.364 0.487 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.784 19.865 0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.281 19.086 -0.066 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.187 19.741 1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.273 18.740 2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.548 18.550 3.286 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.648 17.127 2.710 1.00 0.00 H new ATOM 895 N MET A 61 -12.801 13.364 0.904 1.00 0.00 N ATOM 896 CA MET A 61 -12.244 12.349 -0.027 1.00 0.00 C ATOM 897 C MET A 61 -12.314 12.822 -1.497 1.00 0.00 C ATOM 898 O MET A 61 -11.286 12.941 -2.180 1.00 0.00 O ATOM 899 CB MET A 61 -13.008 11.006 0.154 1.00 0.00 C ATOM 900 CG MET A 61 -12.497 9.833 -0.695 1.00 0.00 C ATOM 901 SD MET A 61 -13.515 8.352 -0.484 1.00 0.00 S ATOM 902 CE MET A 61 -12.627 7.146 -1.467 1.00 0.00 C ATOM 0 H MET A 61 -13.592 13.015 1.446 1.00 0.00 H new ATOM 0 HA MET A 61 -11.191 12.204 0.213 1.00 0.00 H new ATOM 0 HB2 MET A 61 -12.959 10.719 1.205 1.00 0.00 H new ATOM 0 HB3 MET A 61 -14.059 11.172 -0.082 1.00 0.00 H new ATOM 0 HG2 MET A 61 -12.490 10.122 -1.746 1.00 0.00 H new ATOM 0 HG3 MET A 61 -11.467 9.607 -0.420 1.00 0.00 H new ATOM 0 HE1 MET A 61 -12.761 6.154 -1.034 1.00 0.00 H new ATOM 0 HE2 MET A 61 -13.013 7.152 -2.486 1.00 0.00 H new ATOM 0 HE3 MET A 61 -11.566 7.397 -1.479 1.00 0.00 H new ATOM 912 N THR A 62 -13.544 13.079 -1.960 1.00 0.00 N ATOM 913 CA THR A 62 -13.820 13.648 -3.291 1.00 0.00 C ATOM 914 C THR A 62 -14.395 15.080 -3.099 1.00 0.00 C ATOM 915 O THR A 62 -15.597 15.230 -2.837 1.00 0.00 O ATOM 916 CB THR A 62 -14.826 12.746 -4.096 1.00 0.00 C ATOM 917 OG1 THR A 62 -14.393 11.369 -4.066 1.00 0.00 O ATOM 918 CG2 THR A 62 -14.953 13.195 -5.564 1.00 0.00 C ATOM 0 H THR A 62 -14.388 12.896 -1.416 1.00 0.00 H new ATOM 0 HA THR A 62 -12.897 13.692 -3.869 1.00 0.00 H new ATOM 0 HB THR A 62 -15.800 12.847 -3.618 1.00 0.00 H new ATOM 0 HG1 THR A 62 -13.774 11.204 -4.808 1.00 0.00 H new ATOM 0 HG21 THR A 62 -15.657 12.545 -6.084 1.00 0.00 H new ATOM 0 HG22 THR A 62 -15.313 14.223 -5.600 1.00 0.00 H new ATOM 0 HG23 THR A 62 -13.978 13.135 -6.049 1.00 0.00 H new ATOM 926 N PRO A 63 -13.531 16.154 -3.163 1.00 0.00 N ATOM 927 CA PRO A 63 -13.954 17.556 -2.857 1.00 0.00 C ATOM 928 C PRO A 63 -15.041 18.095 -3.834 1.00 0.00 C ATOM 929 O PRO A 63 -15.995 18.763 -3.419 1.00 0.00 O ATOM 930 CB PRO A 63 -12.625 18.365 -2.970 1.00 0.00 C ATOM 931 CG PRO A 63 -11.742 17.529 -3.853 1.00 0.00 C ATOM 932 CD PRO A 63 -12.085 16.091 -3.522 1.00 0.00 C ATOM 0 HA PRO A 63 -14.427 17.635 -1.878 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -12.797 19.351 -3.402 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -12.172 18.521 -1.991 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -11.924 17.744 -4.906 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -10.689 17.735 -3.663 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -11.910 15.431 -4.371 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.482 15.714 -2.696 1.00 0.00 H new ATOM 940 N ARG A 64 -14.878 17.776 -5.126 1.00 0.00 N ATOM 941 CA ARG A 64 -15.800 18.192 -6.208 1.00 0.00 C ATOM 942 C ARG A 64 -16.921 17.135 -6.428 1.00 0.00 C ATOM 943 O ARG A 64 -16.754 15.971 -6.042 1.00 0.00 O ATOM 944 CB ARG A 64 -14.977 18.397 -7.511 1.00 0.00 C ATOM 945 CG ARG A 64 -13.944 19.547 -7.432 1.00 0.00 C ATOM 946 CD ARG A 64 -13.117 19.701 -8.723 1.00 0.00 C ATOM 947 NE ARG A 64 -12.263 20.909 -8.699 1.00 0.00 N ATOM 948 CZ ARG A 64 -11.789 21.529 -9.763 1.00 0.00 C ATOM 949 NH1 ARG A 64 -12.033 21.098 -10.964 1.00 0.00 N ATOM 950 NH2 ARG A 64 -11.083 22.601 -9.606 1.00 0.00 N ATOM 0 H ARG A 64 -14.094 17.215 -5.459 1.00 0.00 H new ATOM 0 HA ARG A 64 -16.287 19.126 -5.927 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -14.455 17.470 -7.748 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -15.663 18.596 -8.334 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -14.464 20.482 -7.226 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -13.270 19.366 -6.594 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -12.492 18.819 -8.859 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -13.789 19.750 -9.579 1.00 0.00 H new ATOM 0 HE ARG A 64 -12.021 21.294 -7.786 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -12.602 20.263 -11.100 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.655 21.595 -11.771 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.899 22.957 -8.668 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.711 23.090 -10.420 1.00 0.00 H new ATOM 964 N PRO A 65 -18.101 17.522 -7.036 1.00 0.00 N ATOM 965 CA PRO A 65 -19.142 16.534 -7.464 1.00 0.00 C ATOM 966 C PRO A 65 -18.662 15.616 -8.630 1.00 0.00 C ATOM 967 O PRO A 65 -19.299 14.601 -8.936 1.00 0.00 O ATOM 968 CB PRO A 65 -20.336 17.432 -7.891 1.00 0.00 C ATOM 969 CG PRO A 65 -19.711 18.748 -8.255 1.00 0.00 C ATOM 970 CD PRO A 65 -18.542 18.924 -7.305 1.00 0.00 C ATOM 0 HA PRO A 65 -19.395 15.833 -6.669 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -20.873 17.001 -8.736 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -21.056 17.546 -7.080 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -19.376 18.749 -9.292 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -20.427 19.564 -8.151 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -17.745 19.517 -7.754 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -18.841 19.434 -6.389 1.00 0.00 H new ATOM 978 N GLU A 66 -17.540 15.996 -9.274 1.00 0.00 N ATOM 979 CA GLU A 66 -16.879 15.187 -10.323 1.00 0.00 C ATOM 980 C GLU A 66 -16.076 14.016 -9.708 1.00 0.00 C ATOM 981 O GLU A 66 -15.658 14.073 -8.551 1.00 0.00 O ATOM 982 CB GLU A 66 -15.937 16.068 -11.193 1.00 0.00 C ATOM 983 CG GLU A 66 -16.635 17.098 -12.119 1.00 0.00 C ATOM 984 CD GLU A 66 -17.458 18.175 -11.386 1.00 0.00 C ATOM 985 OE1 GLU A 66 -16.894 18.874 -10.514 1.00 0.00 O ATOM 986 OE2 GLU A 66 -18.667 18.322 -11.671 1.00 0.00 O ATOM 0 H GLU A 66 -17.063 16.877 -9.081 1.00 0.00 H new ATOM 0 HA GLU A 66 -17.664 14.775 -10.956 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.259 16.606 -10.530 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.324 15.411 -11.810 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -15.876 17.592 -12.726 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -17.292 16.562 -12.804 1.00 0.00 H new ATOM 993 N PHE A 67 -15.835 12.975 -10.523 1.00 0.00 N ATOM 994 CA PHE A 67 -15.134 11.733 -10.096 1.00 0.00 C ATOM 995 C PHE A 67 -13.584 11.883 -10.096 1.00 0.00 C ATOM 996 O PHE A 67 -12.862 10.919 -9.810 1.00 0.00 O ATOM 997 CB PHE A 67 -15.564 10.548 -11.020 1.00 0.00 C ATOM 998 CG PHE A 67 -15.036 10.616 -12.463 1.00 0.00 C ATOM 999 CD1 PHE A 67 -15.485 11.595 -13.354 1.00 0.00 C ATOM 1000 CD2 PHE A 67 -14.087 9.697 -12.930 1.00 0.00 C ATOM 1001 CE1 PHE A 67 -15.008 11.655 -14.651 1.00 0.00 C ATOM 1002 CE2 PHE A 67 -13.613 9.759 -14.227 1.00 0.00 C ATOM 1003 CZ PHE A 67 -14.072 10.740 -15.088 1.00 0.00 C ATOM 0 H PHE A 67 -16.119 12.963 -11.503 1.00 0.00 H new ATOM 0 HA PHE A 67 -15.427 11.531 -9.066 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -15.224 9.616 -10.570 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -16.653 10.509 -11.050 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -16.217 12.317 -13.024 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -13.720 8.928 -12.266 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -15.369 12.420 -15.323 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -12.883 9.040 -14.569 1.00 0.00 H new ATOM 0 HZ PHE A 67 -13.698 10.790 -16.100 1.00 0.00 H new ATOM 1013 N ASN A 68 -13.088 13.093 -10.428 1.00 0.00 N ATOM 1014 CA ASN A 68 -11.642 13.367 -10.568 1.00 0.00 C ATOM 1015 C ASN A 68 -10.977 13.630 -9.188 1.00 0.00 C ATOM 1016 O ASN A 68 -11.036 14.745 -8.658 1.00 0.00 O ATOM 1017 CB ASN A 68 -11.414 14.568 -11.530 1.00 0.00 C ATOM 1018 CG ASN A 68 -12.041 14.349 -12.912 1.00 0.00 C ATOM 1019 OD1 ASN A 68 -13.262 14.815 -13.103 1.00 0.00 O flip ATOM 1020 ND2 ASN A 68 -11.429 13.771 -13.800 1.00 0.00 N flip ATOM 0 H ASN A 68 -13.677 13.906 -10.606 1.00 0.00 H new ATOM 0 HA ASN A 68 -11.169 12.482 -10.994 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.834 15.470 -11.084 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.343 14.738 -11.644 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.487 13.421 -13.626 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -11.861 13.639 -14.715 1.00 0.00 H new ATOM 1027 N PHE A 69 -10.392 12.569 -8.596 1.00 0.00 N ATOM 1028 CA PHE A 69 -9.593 12.661 -7.343 1.00 0.00 C ATOM 1029 C PHE A 69 -8.276 11.834 -7.485 1.00 0.00 C ATOM 1030 O PHE A 69 -8.268 10.807 -8.178 1.00 0.00 O ATOM 1031 CB PHE A 69 -10.434 12.195 -6.103 1.00 0.00 C ATOM 1032 CG PHE A 69 -10.917 10.735 -6.118 1.00 0.00 C ATOM 1033 CD1 PHE A 69 -10.135 9.704 -5.577 1.00 0.00 C ATOM 1034 CD2 PHE A 69 -12.157 10.390 -6.666 1.00 0.00 C ATOM 1035 CE1 PHE A 69 -10.579 8.391 -5.583 1.00 0.00 C ATOM 1036 CE2 PHE A 69 -12.598 9.077 -6.668 1.00 0.00 C ATOM 1037 CZ PHE A 69 -11.808 8.078 -6.130 1.00 0.00 C ATOM 0 H PHE A 69 -10.456 11.621 -8.968 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.324 13.704 -7.176 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -9.834 12.348 -5.206 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -11.306 12.843 -6.018 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.171 9.937 -5.149 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -12.781 11.160 -7.095 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -9.963 7.612 -5.159 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -13.561 8.833 -7.091 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.151 7.054 -6.137 1.00 0.00 H new ATOM 1047 N PRO A 70 -7.134 12.271 -6.850 1.00 0.00 N ATOM 1048 CA PRO A 70 -5.853 11.520 -6.923 1.00 0.00 C ATOM 1049 C PRO A 70 -5.856 10.242 -6.025 1.00 0.00 C ATOM 1050 O PRO A 70 -5.637 10.315 -4.811 1.00 0.00 O ATOM 1051 CB PRO A 70 -4.807 12.570 -6.460 1.00 0.00 C ATOM 1052 CG PRO A 70 -5.566 13.465 -5.514 1.00 0.00 C ATOM 1053 CD PRO A 70 -6.995 13.519 -6.036 1.00 0.00 C ATOM 0 HA PRO A 70 -5.648 11.128 -7.919 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.960 12.095 -5.964 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -4.408 13.132 -7.304 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.537 13.071 -4.498 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.125 14.461 -5.482 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.717 13.545 -5.220 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -7.165 14.410 -6.640 1.00 0.00 H new ATOM 1061 N GLY A 71 -6.157 9.082 -6.643 1.00 0.00 N ATOM 1062 CA GLY A 71 -6.165 7.789 -5.935 1.00 0.00 C ATOM 1063 C GLY A 71 -7.010 6.730 -6.643 1.00 0.00 C ATOM 1064 O GLY A 71 -7.511 6.952 -7.754 1.00 0.00 O ATOM 0 H GLY A 71 -6.398 9.016 -7.632 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.142 7.426 -5.839 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.547 7.936 -4.925 1.00 0.00 H new ATOM 1068 N LEU A 72 -7.145 5.548 -6.010 1.00 0.00 N ATOM 1069 CA LEU A 72 -7.963 4.431 -6.542 1.00 0.00 C ATOM 1070 C LEU A 72 -9.370 4.399 -5.920 1.00 0.00 C ATOM 1071 O LEU A 72 -9.709 5.198 -5.048 1.00 0.00 O ATOM 1072 CB LEU A 72 -7.226 3.063 -6.376 1.00 0.00 C ATOM 1073 CG LEU A 72 -6.144 2.742 -7.456 1.00 0.00 C ATOM 1074 CD1 LEU A 72 -6.753 2.772 -8.879 1.00 0.00 C ATOM 1075 CD2 LEU A 72 -4.922 3.683 -7.352 1.00 0.00 C ATOM 0 H LEU A 72 -6.694 5.337 -5.120 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.097 4.607 -7.609 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.751 3.044 -5.395 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.970 2.267 -6.386 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.786 1.731 -7.261 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.978 2.545 -9.611 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.548 2.030 -8.950 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.162 3.762 -9.079 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.196 3.423 -8.122 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.245 4.715 -7.491 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.463 3.576 -6.369 1.00 0.00 H new ATOM 1087 N LYS A 73 -10.180 3.437 -6.384 1.00 0.00 N ATOM 1088 CA LYS A 73 -11.642 3.421 -6.153 1.00 0.00 C ATOM 1089 C LYS A 73 -12.040 2.472 -4.993 1.00 0.00 C ATOM 1090 O LYS A 73 -13.194 2.034 -4.916 1.00 0.00 O ATOM 1091 CB LYS A 73 -12.360 3.044 -7.485 1.00 0.00 C ATOM 1092 CG LYS A 73 -12.321 4.142 -8.599 1.00 0.00 C ATOM 1093 CD LYS A 73 -10.928 4.355 -9.280 1.00 0.00 C ATOM 1094 CE LYS A 73 -10.675 3.446 -10.505 1.00 0.00 C ATOM 1095 NZ LYS A 73 -10.732 1.999 -10.196 1.00 0.00 N ATOM 0 H LYS A 73 -9.845 2.644 -6.932 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.961 4.416 -5.844 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -11.906 2.134 -7.878 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.402 2.811 -7.264 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.047 3.881 -9.369 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -12.643 5.088 -8.165 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.844 5.396 -9.591 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.145 4.178 -8.543 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.414 3.673 -11.274 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.696 3.680 -10.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.138 1.476 -10.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.383 1.836 -9.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.715 1.667 -10.270 1.00 0.00 H new ATOM 1109 N ALA A 74 -11.062 2.206 -4.093 1.00 0.00 N ATOM 1110 CA ALA A 74 -11.234 1.421 -2.842 1.00 0.00 C ATOM 1111 C ALA A 74 -11.573 -0.075 -3.104 1.00 0.00 C ATOM 1112 O ALA A 74 -12.627 -0.403 -3.657 1.00 0.00 O ATOM 1113 CB ALA A 74 -12.259 2.091 -1.915 1.00 0.00 C ATOM 0 H ALA A 74 -10.106 2.539 -4.219 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.270 1.417 -2.333 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -12.369 1.499 -1.006 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.916 3.093 -1.657 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -13.221 2.157 -2.423 1.00 0.00 H new ATOM 1119 N GLY A 75 -10.674 -0.978 -2.664 1.00 0.00 N ATOM 1120 CA GLY A 75 -10.732 -2.393 -3.054 1.00 0.00 C ATOM 1121 C GLY A 75 -10.430 -2.581 -4.546 1.00 0.00 C ATOM 1122 O GLY A 75 -11.079 -3.374 -5.239 1.00 0.00 O ATOM 0 H GLY A 75 -9.901 -0.749 -2.039 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.016 -2.963 -2.463 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.721 -2.793 -2.829 1.00 0.00 H new ATOM 1126 N ASP A 76 -9.429 -1.818 -5.027 1.00 0.00 N ATOM 1127 CA ASP A 76 -9.055 -1.746 -6.448 1.00 0.00 C ATOM 1128 C ASP A 76 -7.497 -1.748 -6.565 1.00 0.00 C ATOM 1129 O ASP A 76 -6.858 -0.706 -6.358 1.00 0.00 O ATOM 1130 CB ASP A 76 -9.687 -0.444 -7.021 1.00 0.00 C ATOM 1131 CG ASP A 76 -9.744 -0.389 -8.548 1.00 0.00 C ATOM 1132 OD1 ASP A 76 -10.766 -0.815 -9.134 1.00 0.00 O ATOM 1133 OD2 ASP A 76 -8.797 0.128 -9.173 1.00 0.00 O ATOM 0 H ASP A 76 -8.851 -1.227 -4.429 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.421 -2.601 -7.017 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -10.698 -0.342 -6.628 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.117 0.412 -6.660 1.00 0.00 H new ATOM 1138 N ARG A 77 -6.886 -2.933 -6.829 1.00 0.00 N ATOM 1139 CA ARG A 77 -5.399 -3.083 -6.851 1.00 0.00 C ATOM 1140 C ARG A 77 -4.788 -2.805 -8.254 1.00 0.00 C ATOM 1141 O ARG A 77 -4.487 -3.726 -9.028 1.00 0.00 O ATOM 1142 CB ARG A 77 -5.004 -4.507 -6.343 1.00 0.00 C ATOM 1143 CG ARG A 77 -5.653 -5.699 -7.102 1.00 0.00 C ATOM 1144 CD ARG A 77 -5.173 -7.064 -6.578 1.00 0.00 C ATOM 1145 NE ARG A 77 -5.586 -8.173 -7.453 1.00 0.00 N ATOM 1146 CZ ARG A 77 -4.838 -8.754 -8.373 1.00 0.00 C ATOM 1147 NH1 ARG A 77 -3.633 -8.343 -8.640 1.00 0.00 N ATOM 1148 NH2 ARG A 77 -5.327 -9.741 -9.042 1.00 0.00 N ATOM 0 H ARG A 77 -7.393 -3.795 -7.029 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.983 -2.330 -6.181 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.920 -4.607 -6.406 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.271 -4.583 -5.289 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -6.737 -5.638 -7.008 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.420 -5.619 -8.164 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.086 -7.057 -6.492 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.571 -7.227 -5.576 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.537 -8.525 -7.338 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -3.240 -7.550 -8.132 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -3.081 -8.814 -9.357 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.278 -10.061 -8.857 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -4.764 -10.202 -9.757 1.00 0.00 H new ATOM 1162 N TRP A 78 -4.523 -1.521 -8.543 1.00 0.00 N ATOM 1163 CA TRP A 78 -4.062 -1.058 -9.883 1.00 0.00 C ATOM 1164 C TRP A 78 -3.365 0.317 -9.760 1.00 0.00 C ATOM 1165 O TRP A 78 -3.971 1.262 -9.281 1.00 0.00 O ATOM 1166 CB TRP A 78 -5.259 -0.950 -10.899 1.00 0.00 C ATOM 1167 CG TRP A 78 -5.737 -2.275 -11.480 1.00 0.00 C ATOM 1168 CD1 TRP A 78 -5.181 -2.958 -12.529 1.00 0.00 C ATOM 1169 CD2 TRP A 78 -6.854 -3.080 -11.039 1.00 0.00 C ATOM 1170 NE1 TRP A 78 -5.870 -4.123 -12.753 1.00 0.00 N ATOM 1171 CE2 TRP A 78 -6.897 -4.219 -11.853 1.00 0.00 C ATOM 1172 CE3 TRP A 78 -7.809 -2.946 -10.030 1.00 0.00 C ATOM 1173 CZ2 TRP A 78 -7.853 -5.217 -11.692 1.00 0.00 C ATOM 1174 CZ3 TRP A 78 -8.761 -3.935 -9.867 1.00 0.00 C ATOM 1175 CH2 TRP A 78 -8.775 -5.061 -10.696 1.00 0.00 C ATOM 0 H TRP A 78 -4.619 -0.767 -7.862 1.00 0.00 H new ATOM 0 HA TRP A 78 -3.356 -1.796 -10.263 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -6.098 -0.467 -10.398 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -4.960 -0.298 -11.720 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -4.324 -2.627 -13.097 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -5.652 -4.809 -13.476 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -7.804 -2.080 -9.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -7.866 -6.086 -12.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -9.504 -3.837 -9.089 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -9.528 -5.821 -10.546 1.00 0.00 H new ATOM 1186 N CYS A 79 -2.076 0.401 -10.161 1.00 0.00 N ATOM 1187 CA CYS A 79 -1.323 1.690 -10.294 1.00 0.00 C ATOM 1188 C CYS A 79 -1.153 2.479 -8.953 1.00 0.00 C ATOM 1189 O CYS A 79 -0.695 3.630 -8.961 1.00 0.00 O ATOM 1190 CB CYS A 79 -1.998 2.591 -11.373 1.00 0.00 C ATOM 1191 SG CYS A 79 -1.107 4.119 -11.770 1.00 0.00 S ATOM 0 H CYS A 79 -1.519 -0.418 -10.404 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.314 1.419 -10.604 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.115 2.009 -12.287 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.000 2.852 -11.031 1.00 0.00 H new ATOM 0 HG CYS A 79 -0.532 4.577 -10.698 1.00 0.00 H new ATOM 1197 N LEU A 80 -1.503 1.850 -7.806 1.00 0.00 N ATOM 1198 CA LEU A 80 -1.371 2.480 -6.470 1.00 0.00 C ATOM 1199 C LEU A 80 0.130 2.661 -6.139 1.00 0.00 C ATOM 1200 O LEU A 80 0.839 1.674 -5.937 1.00 0.00 O ATOM 1201 CB LEU A 80 -2.108 1.610 -5.387 1.00 0.00 C ATOM 1202 CG LEU A 80 -2.381 2.240 -3.961 1.00 0.00 C ATOM 1203 CD1 LEU A 80 -1.107 2.386 -3.098 1.00 0.00 C ATOM 1204 CD2 LEU A 80 -3.131 3.583 -4.077 1.00 0.00 C ATOM 0 H LEU A 80 -1.880 0.903 -7.779 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.842 3.463 -6.472 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.069 1.308 -5.804 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.524 0.701 -5.240 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.021 1.530 -3.437 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.368 2.824 -2.135 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.660 1.405 -2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.393 3.032 -3.609 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.304 3.991 -3.081 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.532 4.285 -4.658 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.088 3.424 -4.575 1.00 0.00 H new ATOM 1216 N CYS A 81 0.592 3.929 -6.117 1.00 0.00 N ATOM 1217 CA CYS A 81 1.993 4.281 -5.782 1.00 0.00 C ATOM 1218 C CYS A 81 2.351 3.841 -4.347 1.00 0.00 C ATOM 1219 O CYS A 81 1.602 4.117 -3.406 1.00 0.00 O ATOM 1220 CB CYS A 81 2.223 5.799 -5.930 1.00 0.00 C ATOM 1221 SG CYS A 81 3.881 6.352 -5.452 1.00 0.00 S ATOM 0 H CYS A 81 0.008 4.738 -6.330 1.00 0.00 H new ATOM 0 HA CYS A 81 2.640 3.751 -6.480 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.043 6.082 -6.967 1.00 0.00 H new ATOM 0 HB3 CYS A 81 1.488 6.327 -5.323 1.00 0.00 H new ATOM 0 HG CYS A 81 3.973 7.639 -5.614 1.00 0.00 H new ATOM 1227 N ALA A 82 3.514 3.177 -4.192 1.00 0.00 N ATOM 1228 CA ALA A 82 3.963 2.619 -2.896 1.00 0.00 C ATOM 1229 C ALA A 82 4.115 3.688 -1.784 1.00 0.00 C ATOM 1230 O ALA A 82 4.102 3.340 -0.623 1.00 0.00 O ATOM 1231 CB ALA A 82 5.254 1.810 -3.067 1.00 0.00 C ATOM 0 H ALA A 82 4.168 3.012 -4.957 1.00 0.00 H new ATOM 0 HA ALA A 82 3.171 1.949 -2.561 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.564 1.411 -2.101 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.079 0.988 -3.761 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.039 2.456 -3.461 1.00 0.00 H new ATOM 1237 N SER A 83 4.301 4.972 -2.151 1.00 0.00 N ATOM 1238 CA SER A 83 4.300 6.104 -1.175 1.00 0.00 C ATOM 1239 C SER A 83 2.965 6.189 -0.381 1.00 0.00 C ATOM 1240 O SER A 83 2.963 6.422 0.830 1.00 0.00 O ATOM 1241 CB SER A 83 4.543 7.439 -1.909 1.00 0.00 C ATOM 1242 OG SER A 83 5.762 7.413 -2.623 1.00 0.00 O ATOM 0 H SER A 83 4.455 5.261 -3.117 1.00 0.00 H new ATOM 0 HA SER A 83 5.105 5.917 -0.464 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.720 7.635 -2.596 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.558 8.256 -1.188 1.00 0.00 H new ATOM 0 HG SER A 83 6.028 6.483 -2.782 1.00 0.00 H new ATOM 1248 N ARG A 84 1.846 5.986 -1.100 1.00 0.00 N ATOM 1249 CA ARG A 84 0.471 6.025 -0.539 1.00 0.00 C ATOM 1250 C ARG A 84 0.198 4.822 0.407 1.00 0.00 C ATOM 1251 O ARG A 84 -0.412 4.976 1.474 1.00 0.00 O ATOM 1252 CB ARG A 84 -0.547 6.028 -1.714 1.00 0.00 C ATOM 1253 CG ARG A 84 -2.040 6.195 -1.329 1.00 0.00 C ATOM 1254 CD ARG A 84 -2.441 7.643 -0.960 1.00 0.00 C ATOM 1255 NE ARG A 84 -1.939 8.090 0.357 1.00 0.00 N ATOM 1256 CZ ARG A 84 -1.784 9.351 0.715 1.00 0.00 C ATOM 1257 NH1 ARG A 84 -1.943 10.326 -0.128 1.00 0.00 N ATOM 1258 NH2 ARG A 84 -1.450 9.630 1.923 1.00 0.00 N ATOM 0 H ARG A 84 1.865 5.787 -2.100 1.00 0.00 H new ATOM 0 HA ARG A 84 0.363 6.931 0.057 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.278 6.833 -2.398 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.438 5.093 -2.264 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.658 5.860 -2.162 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.261 5.542 -0.485 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.067 8.319 -1.728 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.528 7.721 -0.968 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.695 7.372 1.039 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -2.195 10.127 -1.096 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -1.816 11.291 0.178 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.306 8.880 2.599 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.328 10.602 2.207 1.00 0.00 H new ATOM 1272 N TRP A 85 0.670 3.628 -0.007 1.00 0.00 N ATOM 1273 CA TRP A 85 0.514 2.370 0.766 1.00 0.00 C ATOM 1274 C TRP A 85 1.478 2.350 1.996 1.00 0.00 C ATOM 1275 O TRP A 85 1.030 2.130 3.128 1.00 0.00 O ATOM 1276 CB TRP A 85 0.697 1.128 -0.197 1.00 0.00 C ATOM 1277 CG TRP A 85 1.552 0.002 0.334 1.00 0.00 C ATOM 1278 CD1 TRP A 85 2.788 -0.337 -0.107 1.00 0.00 C ATOM 1279 CD2 TRP A 85 1.249 -0.903 1.408 1.00 0.00 C ATOM 1280 NE1 TRP A 85 3.295 -1.357 0.651 1.00 0.00 N ATOM 1281 CE2 TRP A 85 2.362 -1.730 1.579 1.00 0.00 C ATOM 1282 CE3 TRP A 85 0.154 -1.079 2.245 1.00 0.00 C ATOM 1283 CZ2 TRP A 85 2.412 -2.718 2.556 1.00 0.00 C ATOM 1284 CZ3 TRP A 85 0.202 -2.061 3.210 1.00 0.00 C ATOM 1285 CH2 TRP A 85 1.324 -2.869 3.362 1.00 0.00 C ATOM 0 H TRP A 85 1.171 3.505 -0.887 1.00 0.00 H new ATOM 0 HA TRP A 85 -0.493 2.310 1.178 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -0.289 0.729 -0.435 1.00 0.00 H new ATOM 0 HB3 TRP A 85 1.133 1.479 -1.132 1.00 0.00 H new ATOM 0 HD1 TRP A 85 3.298 0.130 -0.936 1.00 0.00 H new ATOM 0 HE1 TRP A 85 4.220 -1.772 0.542 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -0.722 -0.455 2.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 3.284 -3.345 2.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -0.648 -2.206 3.861 1.00 0.00 H new ATOM 0 HH2 TRP A 85 1.333 -3.628 4.131 1.00 0.00 H new ATOM 1296 N GLN A 86 2.798 2.548 1.748 1.00 0.00 N ATOM 1297 CA GLN A 86 3.838 2.623 2.809 1.00 0.00 C ATOM 1298 C GLN A 86 3.479 3.599 3.955 1.00 0.00 C ATOM 1299 O GLN A 86 3.734 3.304 5.123 1.00 0.00 O ATOM 1300 CB GLN A 86 5.214 3.026 2.228 1.00 0.00 C ATOM 1301 CG GLN A 86 6.407 2.943 3.229 1.00 0.00 C ATOM 1302 CD GLN A 86 6.418 1.685 4.130 1.00 0.00 C ATOM 1303 OE1 GLN A 86 6.074 0.588 3.723 1.00 0.00 O ATOM 1304 NE2 GLN A 86 6.723 1.860 5.388 1.00 0.00 N ATOM 0 H GLN A 86 3.173 2.660 0.806 1.00 0.00 H new ATOM 0 HA GLN A 86 3.888 1.617 3.226 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.432 2.385 1.374 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.147 4.047 1.851 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.339 2.975 2.664 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.390 3.827 3.866 1.00 0.00 H new ATOM 0 HE21 GLN A 86 7.010 2.781 5.720 1.00 0.00 H new ATOM 0 HE22 GLN A 86 6.674 1.076 6.038 1.00 0.00 H new ATOM 1313 N GLU A 87 2.903 4.768 3.609 1.00 0.00 N ATOM 1314 CA GLU A 87 2.478 5.763 4.623 1.00 0.00 C ATOM 1315 C GLU A 87 1.394 5.176 5.557 1.00 0.00 C ATOM 1316 O GLU A 87 1.421 5.398 6.770 1.00 0.00 O ATOM 1317 CB GLU A 87 1.919 7.059 3.976 1.00 0.00 C ATOM 1318 CG GLU A 87 1.514 8.149 5.012 1.00 0.00 C ATOM 1319 CD GLU A 87 0.508 9.175 4.465 1.00 0.00 C ATOM 1320 OE1 GLU A 87 0.935 10.208 3.908 1.00 0.00 O ATOM 1321 OE2 GLU A 87 -0.720 8.938 4.577 1.00 0.00 O ATOM 0 H GLU A 87 2.721 5.048 2.645 1.00 0.00 H new ATOM 0 HA GLU A 87 3.371 6.012 5.196 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.670 7.472 3.302 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.050 6.806 3.369 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.085 7.664 5.888 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.410 8.673 5.345 1.00 0.00 H new ATOM 1328 N ALA A 88 0.444 4.423 4.972 1.00 0.00 N ATOM 1329 CA ALA A 88 -0.638 3.779 5.735 1.00 0.00 C ATOM 1330 C ALA A 88 -0.079 2.673 6.660 1.00 0.00 C ATOM 1331 O ALA A 88 -0.629 2.413 7.738 1.00 0.00 O ATOM 1332 CB ALA A 88 -1.716 3.231 4.788 1.00 0.00 C ATOM 0 H ALA A 88 0.405 4.246 3.968 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.105 4.531 6.371 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.507 2.759 5.371 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.136 4.049 4.203 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -1.271 2.496 4.117 1.00 0.00 H new ATOM 1338 N PHE A 89 1.029 2.044 6.218 1.00 0.00 N ATOM 1339 CA PHE A 89 1.807 1.090 7.028 1.00 0.00 C ATOM 1340 C PHE A 89 2.491 1.810 8.221 1.00 0.00 C ATOM 1341 O PHE A 89 2.477 1.312 9.350 1.00 0.00 O ATOM 1342 CB PHE A 89 2.853 0.362 6.127 1.00 0.00 C ATOM 1343 CG PHE A 89 3.605 -0.775 6.818 1.00 0.00 C ATOM 1344 CD1 PHE A 89 4.792 -0.542 7.516 1.00 0.00 C ATOM 1345 CD2 PHE A 89 3.105 -2.079 6.800 1.00 0.00 C ATOM 1346 CE1 PHE A 89 5.443 -1.565 8.172 1.00 0.00 C ATOM 1347 CE2 PHE A 89 3.763 -3.102 7.450 1.00 0.00 C ATOM 1348 CZ PHE A 89 4.930 -2.846 8.139 1.00 0.00 C ATOM 0 H PHE A 89 1.410 2.186 5.283 1.00 0.00 H new ATOM 0 HA PHE A 89 1.131 0.342 7.444 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.343 -0.037 5.250 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.577 1.094 5.769 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.206 0.455 7.542 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.189 -2.290 6.269 1.00 0.00 H new ATOM 0 HE1 PHE A 89 6.356 -1.364 8.713 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.364 -4.105 7.419 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.442 -3.647 8.652 1.00 0.00 H new ATOM 1358 N GLU A 90 3.074 2.992 7.952 1.00 0.00 N ATOM 1359 CA GLU A 90 3.768 3.808 8.980 1.00 0.00 C ATOM 1360 C GLU A 90 2.792 4.413 10.010 1.00 0.00 C ATOM 1361 O GLU A 90 3.148 4.602 11.176 1.00 0.00 O ATOM 1362 CB GLU A 90 4.616 4.921 8.315 1.00 0.00 C ATOM 1363 CG GLU A 90 5.802 4.400 7.477 1.00 0.00 C ATOM 1364 CD GLU A 90 6.821 3.581 8.300 1.00 0.00 C ATOM 1365 OE1 GLU A 90 7.664 4.187 8.991 1.00 0.00 O ATOM 1366 OE2 GLU A 90 6.791 2.330 8.258 1.00 0.00 O ATOM 0 H GLU A 90 3.081 3.412 7.022 1.00 0.00 H new ATOM 0 HA GLU A 90 4.431 3.135 9.524 1.00 0.00 H new ATOM 0 HB2 GLU A 90 3.969 5.521 7.674 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.998 5.583 9.092 1.00 0.00 H new ATOM 0 HG2 GLU A 90 5.420 3.781 6.666 1.00 0.00 H new ATOM 0 HG3 GLU A 90 6.313 5.247 7.018 1.00 0.00 H new ATOM 1373 N ALA A 91 1.565 4.714 9.559 1.00 0.00 N ATOM 1374 CA ALA A 91 0.473 5.215 10.424 1.00 0.00 C ATOM 1375 C ALA A 91 -0.197 4.064 11.222 1.00 0.00 C ATOM 1376 O ALA A 91 -0.996 4.313 12.132 1.00 0.00 O ATOM 1377 CB ALA A 91 -0.551 5.975 9.570 1.00 0.00 C ATOM 0 H ALA A 91 1.296 4.618 8.580 1.00 0.00 H new ATOM 0 HA ALA A 91 0.896 5.900 11.159 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.355 6.343 10.208 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.062 6.817 9.079 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.964 5.305 8.816 1.00 0.00 H new ATOM 1383 N GLY A 92 0.125 2.806 10.846 1.00 0.00 N ATOM 1384 CA GLY A 92 -0.264 1.613 11.621 1.00 0.00 C ATOM 1385 C GLY A 92 -1.378 0.770 10.993 1.00 0.00 C ATOM 1386 O GLY A 92 -1.560 -0.389 11.381 1.00 0.00 O ATOM 0 H GLY A 92 0.658 2.593 10.003 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.615 0.983 11.757 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.584 1.931 12.613 1.00 0.00 H new ATOM 1390 N MET A 93 -2.125 1.333 10.026 1.00 0.00 N ATOM 1391 CA MET A 93 -3.270 0.630 9.395 1.00 0.00 C ATOM 1392 C MET A 93 -2.778 -0.476 8.426 1.00 0.00 C ATOM 1393 O MET A 93 -2.911 -1.670 8.719 1.00 0.00 O ATOM 1394 CB MET A 93 -4.203 1.621 8.643 1.00 0.00 C ATOM 1395 CG MET A 93 -4.655 2.839 9.461 1.00 0.00 C ATOM 1396 SD MET A 93 -3.432 4.167 9.443 1.00 0.00 S ATOM 1397 CE MET A 93 -3.544 4.725 7.735 1.00 0.00 C ATOM 0 H MET A 93 -1.961 2.271 9.661 1.00 0.00 H new ATOM 0 HA MET A 93 -3.843 0.164 10.196 1.00 0.00 H new ATOM 0 HB2 MET A 93 -3.688 1.974 7.750 1.00 0.00 H new ATOM 0 HB3 MET A 93 -5.088 1.080 8.308 1.00 0.00 H new ATOM 0 HG2 MET A 93 -5.599 3.212 9.063 1.00 0.00 H new ATOM 0 HG3 MET A 93 -4.842 2.534 10.491 1.00 0.00 H new ATOM 0 HE1 MET A 93 -3.057 5.695 7.637 1.00 0.00 H new ATOM 0 HE2 MET A 93 -3.051 4.004 7.083 1.00 0.00 H new ATOM 0 HE3 MET A 93 -4.592 4.814 7.449 1.00 0.00 H new ATOM 1407 N ALA A 94 -2.198 -0.035 7.290 1.00 0.00 N ATOM 1408 CA ALA A 94 -1.661 -0.908 6.224 1.00 0.00 C ATOM 1409 C ALA A 94 -2.740 -1.835 5.584 1.00 0.00 C ATOM 1410 O ALA A 94 -3.079 -2.884 6.147 1.00 0.00 O ATOM 1411 CB ALA A 94 -0.453 -1.713 6.717 1.00 0.00 C ATOM 0 H ALA A 94 -2.088 0.958 7.084 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.325 -0.242 5.429 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.082 -2.344 5.909 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.335 -1.030 7.034 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.751 -2.338 7.559 1.00 0.00 H new ATOM 1417 N PRO A 95 -3.309 -1.434 4.404 1.00 0.00 N ATOM 1418 CA PRO A 95 -4.285 -2.268 3.635 1.00 0.00 C ATOM 1419 C PRO A 95 -3.635 -3.516 2.944 1.00 0.00 C ATOM 1420 O PRO A 95 -2.406 -3.640 2.917 1.00 0.00 O ATOM 1421 CB PRO A 95 -4.829 -1.247 2.602 1.00 0.00 C ATOM 1422 CG PRO A 95 -3.690 -0.310 2.370 1.00 0.00 C ATOM 1423 CD PRO A 95 -3.068 -0.123 3.730 1.00 0.00 C ATOM 0 HA PRO A 95 -5.050 -2.716 4.269 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -5.132 -1.740 1.678 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -5.704 -0.722 2.985 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.974 -0.725 1.660 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -4.035 0.638 1.958 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.004 0.102 3.658 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.532 0.700 4.274 1.00 0.00 H new ATOM 1431 N PRO A 96 -4.456 -4.485 2.401 1.00 0.00 N ATOM 1432 CA PRO A 96 -3.921 -5.664 1.665 1.00 0.00 C ATOM 1433 C PRO A 96 -3.227 -5.276 0.331 1.00 0.00 C ATOM 1434 O PRO A 96 -3.850 -4.699 -0.556 1.00 0.00 O ATOM 1435 CB PRO A 96 -5.181 -6.552 1.408 1.00 0.00 C ATOM 1436 CG PRO A 96 -6.235 -6.014 2.331 1.00 0.00 C ATOM 1437 CD PRO A 96 -5.941 -4.538 2.471 1.00 0.00 C ATOM 0 HA PRO A 96 -3.146 -6.175 2.236 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.500 -6.491 0.368 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -4.973 -7.601 1.617 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -7.233 -6.178 1.924 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -6.200 -6.514 3.299 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.404 -3.957 1.673 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.315 -4.140 3.414 1.00 0.00 H new ATOM 1445 N VAL A 97 -1.928 -5.577 0.216 1.00 0.00 N ATOM 1446 CA VAL A 97 -1.155 -5.397 -1.034 1.00 0.00 C ATOM 1447 C VAL A 97 -0.894 -6.791 -1.685 1.00 0.00 C ATOM 1448 O VAL A 97 -0.985 -7.826 -1.019 1.00 0.00 O ATOM 1449 CB VAL A 97 0.165 -4.573 -0.750 1.00 0.00 C ATOM 1450 CG1 VAL A 97 1.047 -5.229 0.333 1.00 0.00 C ATOM 1451 CG2 VAL A 97 0.968 -4.297 -2.043 1.00 0.00 C ATOM 0 H VAL A 97 -1.375 -5.954 0.986 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.725 -4.810 -1.755 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.157 -3.609 -0.356 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.940 -4.624 0.490 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.487 -5.298 1.266 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.338 -6.228 0.009 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.866 -3.729 -1.799 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.251 -5.243 -2.504 1.00 0.00 H new ATOM 0 HG23 VAL A 97 0.354 -3.724 -2.738 1.00 0.00 H new ATOM 1461 N VAL A 98 -0.619 -6.820 -3.000 1.00 0.00 N ATOM 1462 CA VAL A 98 -0.554 -8.078 -3.791 1.00 0.00 C ATOM 1463 C VAL A 98 0.877 -8.357 -4.355 1.00 0.00 C ATOM 1464 O VAL A 98 1.333 -7.696 -5.288 1.00 0.00 O ATOM 1465 CB VAL A 98 -1.646 -8.027 -4.934 1.00 0.00 C ATOM 1466 CG1 VAL A 98 -1.547 -6.723 -5.774 1.00 0.00 C ATOM 1467 CG2 VAL A 98 -1.609 -9.287 -5.827 1.00 0.00 C ATOM 0 H VAL A 98 -0.435 -5.981 -3.550 1.00 0.00 H new ATOM 0 HA VAL A 98 -0.771 -8.917 -3.130 1.00 0.00 H new ATOM 0 HB VAL A 98 -2.617 -8.016 -4.440 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.315 -6.729 -6.547 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -1.693 -5.860 -5.125 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -0.563 -6.664 -6.240 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.375 -9.209 -6.598 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.629 -9.371 -6.297 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.796 -10.171 -5.217 1.00 0.00 H new ATOM 1477 N LEU A 99 1.575 -9.373 -3.783 1.00 0.00 N ATOM 1478 CA LEU A 99 2.948 -9.766 -4.223 1.00 0.00 C ATOM 1479 C LEU A 99 2.962 -10.410 -5.628 1.00 0.00 C ATOM 1480 O LEU A 99 3.955 -10.300 -6.361 1.00 0.00 O ATOM 1481 CB LEU A 99 3.608 -10.719 -3.201 1.00 0.00 C ATOM 1482 CG LEU A 99 3.910 -10.104 -1.801 1.00 0.00 C ATOM 1483 CD1 LEU A 99 4.408 -11.176 -0.815 1.00 0.00 C ATOM 1484 CD2 LEU A 99 4.907 -8.922 -1.909 1.00 0.00 C ATOM 0 H LEU A 99 1.212 -9.938 -3.015 1.00 0.00 H new ATOM 0 HA LEU A 99 3.526 -8.844 -4.279 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.958 -11.583 -3.065 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.542 -11.087 -3.625 1.00 0.00 H new ATOM 0 HG LEU A 99 2.975 -9.707 -1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.610 -10.715 0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.645 -11.945 -0.698 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.322 -11.627 -1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 99 5.097 -8.515 -0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.843 -9.274 -2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.483 -8.145 -2.545 1.00 0.00 H new ATOM 1496 N GLN A 100 1.850 -11.068 -5.998 1.00 0.00 N ATOM 1497 CA GLN A 100 1.651 -11.653 -7.352 1.00 0.00 C ATOM 1498 C GLN A 100 1.136 -10.592 -8.369 1.00 0.00 C ATOM 1499 O GLN A 100 0.306 -10.886 -9.238 1.00 0.00 O ATOM 1500 CB GLN A 100 0.698 -12.886 -7.254 1.00 0.00 C ATOM 1501 CG GLN A 100 -0.637 -12.632 -6.530 1.00 0.00 C ATOM 1502 CD GLN A 100 -1.539 -13.867 -6.478 1.00 0.00 C ATOM 1503 OE1 GLN A 100 -1.462 -14.671 -5.557 1.00 0.00 O ATOM 1504 NE2 GLN A 100 -2.400 -14.027 -7.464 1.00 0.00 N ATOM 0 H GLN A 100 1.058 -11.214 -5.372 1.00 0.00 H new ATOM 0 HA GLN A 100 2.614 -11.993 -7.733 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.484 -13.239 -8.263 1.00 0.00 H new ATOM 0 HB3 GLN A 100 1.224 -13.690 -6.740 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -0.433 -12.296 -5.513 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.168 -11.823 -7.033 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.444 -13.343 -8.219 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.022 -14.835 -7.472 1.00 0.00 H new ATOM 1513 N SER A 101 1.694 -9.367 -8.264 1.00 0.00 N ATOM 1514 CA SER A 101 1.386 -8.223 -9.158 1.00 0.00 C ATOM 1515 C SER A 101 2.379 -7.047 -8.916 1.00 0.00 C ATOM 1516 O SER A 101 2.573 -6.212 -9.804 1.00 0.00 O ATOM 1517 CB SER A 101 -0.076 -7.738 -8.972 1.00 0.00 C ATOM 1518 OG SER A 101 -0.450 -6.765 -9.937 1.00 0.00 O ATOM 0 H SER A 101 2.382 -9.139 -7.546 1.00 0.00 H new ATOM 0 HA SER A 101 1.500 -8.570 -10.185 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.751 -8.591 -9.040 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.193 -7.318 -7.973 1.00 0.00 H new ATOM 0 HG SER A 101 -1.378 -6.490 -9.782 1.00 0.00 H new ATOM 1524 N THR A 102 2.982 -6.970 -7.696 1.00 0.00 N ATOM 1525 CA THR A 102 4.071 -5.997 -7.377 1.00 0.00 C ATOM 1526 C THR A 102 5.426 -6.405 -8.013 1.00 0.00 C ATOM 1527 O THR A 102 5.533 -7.408 -8.727 1.00 0.00 O ATOM 1528 CB THR A 102 4.279 -5.835 -5.823 1.00 0.00 C ATOM 1529 OG1 THR A 102 4.446 -7.117 -5.204 1.00 0.00 O ATOM 1530 CG2 THR A 102 3.125 -5.077 -5.153 1.00 0.00 C ATOM 0 H THR A 102 2.731 -7.573 -6.913 1.00 0.00 H new ATOM 0 HA THR A 102 3.747 -5.047 -7.802 1.00 0.00 H new ATOM 0 HB THR A 102 5.183 -5.242 -5.685 1.00 0.00 H new ATOM 0 HG1 THR A 102 5.020 -7.027 -4.415 1.00 0.00 H new ATOM 0 HG21 THR A 102 3.317 -4.993 -4.083 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.044 -4.080 -5.587 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.193 -5.619 -5.312 1.00 0.00 H new ATOM 1538 N GLU A 103 6.460 -5.603 -7.706 1.00 0.00 N ATOM 1539 CA GLU A 103 7.824 -5.769 -8.249 1.00 0.00 C ATOM 1540 C GLU A 103 8.858 -5.278 -7.187 1.00 0.00 C ATOM 1541 O GLU A 103 8.483 -4.707 -6.156 1.00 0.00 O ATOM 1542 CB GLU A 103 7.927 -4.943 -9.584 1.00 0.00 C ATOM 1543 CG GLU A 103 8.758 -5.553 -10.737 1.00 0.00 C ATOM 1544 CD GLU A 103 10.266 -5.627 -10.477 1.00 0.00 C ATOM 1545 OE1 GLU A 103 10.920 -4.565 -10.442 1.00 0.00 O ATOM 1546 OE2 GLU A 103 10.797 -6.741 -10.277 1.00 0.00 O ATOM 0 H GLU A 103 6.374 -4.812 -7.067 1.00 0.00 H new ATOM 0 HA GLU A 103 8.039 -6.815 -8.468 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.916 -4.771 -9.952 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.349 -3.967 -9.344 1.00 0.00 H new ATOM 0 HG2 GLU A 103 8.389 -6.559 -10.939 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.588 -4.965 -11.639 1.00 0.00 H new ATOM 1553 N LYS A 104 10.149 -5.516 -7.454 1.00 0.00 N ATOM 1554 CA LYS A 104 11.285 -4.908 -6.708 1.00 0.00 C ATOM 1555 C LYS A 104 11.292 -3.352 -6.869 1.00 0.00 C ATOM 1556 O LYS A 104 11.943 -2.638 -6.098 1.00 0.00 O ATOM 1557 CB LYS A 104 12.644 -5.518 -7.191 1.00 0.00 C ATOM 1558 CG LYS A 104 12.923 -6.996 -6.780 1.00 0.00 C ATOM 1559 CD LYS A 104 11.865 -8.009 -7.299 1.00 0.00 C ATOM 1560 CE LYS A 104 12.267 -9.481 -7.092 1.00 0.00 C ATOM 1561 NZ LYS A 104 13.446 -9.851 -7.921 1.00 0.00 N ATOM 0 H LYS A 104 10.449 -6.142 -8.201 1.00 0.00 H new ATOM 0 HA LYS A 104 11.158 -5.136 -5.650 1.00 0.00 H new ATOM 0 HB2 LYS A 104 12.681 -5.453 -8.278 1.00 0.00 H new ATOM 0 HB3 LYS A 104 13.453 -4.897 -6.807 1.00 0.00 H new ATOM 0 HG2 LYS A 104 13.904 -7.287 -7.155 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.967 -7.058 -5.693 1.00 0.00 H new ATOM 0 HD2 LYS A 104 10.918 -7.825 -6.791 1.00 0.00 H new ATOM 0 HD3 LYS A 104 11.696 -7.833 -8.361 1.00 0.00 H new ATOM 0 HE2 LYS A 104 12.494 -9.652 -6.040 1.00 0.00 H new ATOM 0 HE3 LYS A 104 11.427 -10.127 -7.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 13.584 -10.881 -7.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 13.285 -9.555 -8.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 14.294 -9.376 -7.551 1.00 0.00 H new ATOM 1575 N SER A 105 10.564 -2.858 -7.898 1.00 0.00 N ATOM 1576 CA SER A 105 10.251 -1.421 -8.092 1.00 0.00 C ATOM 1577 C SER A 105 9.506 -0.813 -6.876 1.00 0.00 C ATOM 1578 O SER A 105 9.703 0.358 -6.536 1.00 0.00 O ATOM 1579 CB SER A 105 9.371 -1.265 -9.348 1.00 0.00 C ATOM 1580 OG SER A 105 9.983 -1.828 -10.492 1.00 0.00 O ATOM 0 H SER A 105 10.172 -3.454 -8.627 1.00 0.00 H new ATOM 0 HA SER A 105 11.195 -0.887 -8.205 1.00 0.00 H new ATOM 0 HB2 SER A 105 8.407 -1.745 -9.178 1.00 0.00 H new ATOM 0 HB3 SER A 105 9.174 -0.208 -9.525 1.00 0.00 H new ATOM 0 HG SER A 105 10.095 -2.793 -10.362 1.00 0.00 H new ATOM 1586 N ALA A 106 8.623 -1.619 -6.250 1.00 0.00 N ATOM 1587 CA ALA A 106 7.893 -1.217 -5.023 1.00 0.00 C ATOM 1588 C ALA A 106 8.868 -0.975 -3.844 1.00 0.00 C ATOM 1589 O ALA A 106 8.699 -0.032 -3.063 1.00 0.00 O ATOM 1590 CB ALA A 106 6.838 -2.277 -4.660 1.00 0.00 C ATOM 0 H ALA A 106 8.395 -2.559 -6.575 1.00 0.00 H new ATOM 0 HA ALA A 106 7.382 -0.275 -5.222 1.00 0.00 H new ATOM 0 HB1 ALA A 106 6.309 -1.970 -3.758 1.00 0.00 H new ATOM 0 HB2 ALA A 106 6.127 -2.379 -5.480 1.00 0.00 H new ATOM 0 HB3 ALA A 106 7.329 -3.234 -4.485 1.00 0.00 H new ATOM 1596 N LEU A 107 9.936 -1.803 -3.786 1.00 0.00 N ATOM 1597 CA LEU A 107 10.982 -1.779 -2.714 1.00 0.00 C ATOM 1598 C LEU A 107 11.873 -0.499 -2.740 1.00 0.00 C ATOM 1599 O LEU A 107 12.838 -0.399 -1.976 1.00 0.00 O ATOM 1600 CB LEU A 107 11.881 -3.055 -2.804 1.00 0.00 C ATOM 1601 CG LEU A 107 11.276 -4.397 -2.265 1.00 0.00 C ATOM 1602 CD1 LEU A 107 10.026 -4.847 -3.052 1.00 0.00 C ATOM 1603 CD2 LEU A 107 12.355 -5.512 -2.242 1.00 0.00 C ATOM 0 H LEU A 107 10.107 -2.522 -4.490 1.00 0.00 H new ATOM 0 HA LEU A 107 10.444 -1.765 -1.766 1.00 0.00 H new ATOM 0 HB2 LEU A 107 12.154 -3.203 -3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 107 12.804 -2.857 -2.259 1.00 0.00 H new ATOM 0 HG LEU A 107 10.945 -4.210 -1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 107 9.650 -5.781 -2.635 1.00 0.00 H new ATOM 0 HD12 LEU A 107 9.254 -4.081 -2.979 1.00 0.00 H new ATOM 0 HD13 LEU A 107 10.290 -4.997 -4.099 1.00 0.00 H new ATOM 0 HD21 LEU A 107 11.916 -6.436 -1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 107 12.731 -5.675 -3.252 1.00 0.00 H new ATOM 0 HD23 LEU A 107 13.177 -5.210 -1.593 1.00 0.00 H new ATOM 1615 N ARG A 108 11.544 0.463 -3.607 1.00 0.00 N ATOM 1616 CA ARG A 108 12.242 1.769 -3.685 1.00 0.00 C ATOM 1617 C ARG A 108 11.615 2.768 -2.690 1.00 0.00 C ATOM 1618 O ARG A 108 12.252 3.738 -2.265 1.00 0.00 O ATOM 1619 CB ARG A 108 12.170 2.310 -5.136 1.00 0.00 C ATOM 1620 CG ARG A 108 12.892 1.427 -6.179 1.00 0.00 C ATOM 1621 CD ARG A 108 12.739 1.954 -7.619 1.00 0.00 C ATOM 1622 NE ARG A 108 13.235 3.336 -7.767 1.00 0.00 N ATOM 1623 CZ ARG A 108 13.262 4.023 -8.888 1.00 0.00 C ATOM 1624 NH1 ARG A 108 12.860 3.511 -10.011 1.00 0.00 N ATOM 1625 NH2 ARG A 108 13.703 5.239 -8.873 1.00 0.00 N ATOM 0 H ARG A 108 10.785 0.367 -4.281 1.00 0.00 H new ATOM 0 HA ARG A 108 13.290 1.638 -3.414 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.123 2.409 -5.423 1.00 0.00 H new ATOM 0 HB3 ARG A 108 12.603 3.310 -5.161 1.00 0.00 H new ATOM 0 HG2 ARG A 108 13.951 1.370 -5.929 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.497 0.413 -6.125 1.00 0.00 H new ATOM 0 HD2 ARG A 108 13.282 1.301 -8.302 1.00 0.00 H new ATOM 0 HD3 ARG A 108 11.689 1.915 -7.908 1.00 0.00 H new ATOM 0 HE ARG A 108 13.587 3.798 -6.928 1.00 0.00 H new ATOM 0 HH11 ARG A 108 12.512 2.553 -10.039 1.00 0.00 H new ATOM 0 HH12 ARG A 108 12.892 4.067 -10.865 1.00 0.00 H new ATOM 0 HH21 ARG A 108 14.025 5.654 -7.999 1.00 0.00 H new ATOM 0 HH22 ARG A 108 13.729 5.783 -9.736 1.00 0.00 H new ATOM 1639 N TYR A 109 10.345 2.505 -2.341 1.00 0.00 N ATOM 1640 CA TYR A 109 9.557 3.299 -1.385 1.00 0.00 C ATOM 1641 C TYR A 109 9.397 2.486 -0.074 1.00 0.00 C ATOM 1642 O TYR A 109 9.662 2.982 1.024 1.00 0.00 O ATOM 1643 CB TYR A 109 8.158 3.609 -1.989 1.00 0.00 C ATOM 1644 CG TYR A 109 8.160 4.119 -3.448 1.00 0.00 C ATOM 1645 CD1 TYR A 109 8.345 3.236 -4.526 1.00 0.00 C ATOM 1646 CD2 TYR A 109 7.936 5.465 -3.754 1.00 0.00 C ATOM 1647 CE1 TYR A 109 8.312 3.680 -5.834 1.00 0.00 C ATOM 1648 CE2 TYR A 109 7.907 5.911 -5.062 1.00 0.00 C ATOM 1649 CZ TYR A 109 8.093 5.017 -6.099 1.00 0.00 C ATOM 1650 OH TYR A 109 8.052 5.461 -7.404 1.00 0.00 O ATOM 0 H TYR A 109 9.826 1.716 -2.725 1.00 0.00 H new ATOM 0 HA TYR A 109 10.066 4.240 -1.175 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.552 2.704 -1.940 1.00 0.00 H new ATOM 0 HB3 TYR A 109 7.669 4.355 -1.363 1.00 0.00 H new ATOM 0 HD1 TYR A 109 8.517 2.188 -4.328 1.00 0.00 H new ATOM 0 HD2 TYR A 109 7.782 6.171 -2.951 1.00 0.00 H new ATOM 0 HE1 TYR A 109 8.457 2.983 -6.646 1.00 0.00 H new ATOM 0 HE2 TYR A 109 7.739 6.957 -5.273 1.00 0.00 H new ATOM 0 HH TYR A 109 7.888 6.427 -7.416 1.00 0.00 H new ATOM 1660 N VAL A 110 8.947 1.218 -0.231 1.00 0.00 N ATOM 1661 CA VAL A 110 8.787 0.252 0.885 1.00 0.00 C ATOM 1662 C VAL A 110 9.998 -0.691 1.007 1.00 0.00 C ATOM 1663 O VAL A 110 11.026 -0.525 0.358 1.00 0.00 O ATOM 1664 CB VAL A 110 7.502 -0.654 0.696 1.00 0.00 C ATOM 1665 CG1 VAL A 110 6.235 0.147 0.652 1.00 0.00 C ATOM 1666 CG2 VAL A 110 7.556 -1.506 -0.565 1.00 0.00 C ATOM 0 H VAL A 110 8.683 0.834 -1.138 1.00 0.00 H new ATOM 0 HA VAL A 110 8.693 0.859 1.785 1.00 0.00 H new ATOM 0 HB VAL A 110 7.500 -1.303 1.572 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.385 -0.523 0.521 1.00 0.00 H new ATOM 0 HG12 VAL A 110 6.121 0.699 1.585 1.00 0.00 H new ATOM 0 HG13 VAL A 110 6.276 0.848 -0.182 1.00 0.00 H new ATOM 0 HG21 VAL A 110 6.648 -2.104 -0.639 1.00 0.00 H new ATOM 0 HG22 VAL A 110 7.636 -0.859 -1.438 1.00 0.00 H new ATOM 0 HG23 VAL A 110 8.423 -2.166 -0.522 1.00 0.00 H new ATOM 1676 N SER A 111 9.848 -1.671 1.884 1.00 0.00 N ATOM 1677 CA SER A 111 10.614 -2.915 1.864 1.00 0.00 C ATOM 1678 C SER A 111 9.654 -4.067 1.558 1.00 0.00 C ATOM 1679 O SER A 111 8.437 -3.945 1.765 1.00 0.00 O ATOM 1680 CB SER A 111 11.290 -3.141 3.222 1.00 0.00 C ATOM 1681 OG SER A 111 12.060 -4.339 3.232 1.00 0.00 O ATOM 0 H SER A 111 9.175 -1.626 2.649 1.00 0.00 H new ATOM 0 HA SER A 111 11.390 -2.862 1.101 1.00 0.00 H new ATOM 0 HB2 SER A 111 11.933 -2.292 3.454 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.531 -3.189 4.003 1.00 0.00 H new ATOM 0 HG SER A 111 12.478 -4.452 4.111 1.00 0.00 H new ATOM 1687 N LEU A 112 10.198 -5.182 1.069 1.00 0.00 N ATOM 1688 CA LEU A 112 9.436 -6.435 0.917 1.00 0.00 C ATOM 1689 C LEU A 112 8.814 -6.866 2.267 1.00 0.00 C ATOM 1690 O LEU A 112 7.717 -7.393 2.294 1.00 0.00 O ATOM 1691 CB LEU A 112 10.357 -7.533 0.302 1.00 0.00 C ATOM 1692 CG LEU A 112 9.893 -9.042 0.378 1.00 0.00 C ATOM 1693 CD1 LEU A 112 10.454 -9.869 -0.800 1.00 0.00 C ATOM 1694 CD2 LEU A 112 10.306 -9.711 1.722 1.00 0.00 C ATOM 0 H LEU A 112 11.170 -5.249 0.768 1.00 0.00 H new ATOM 0 HA LEU A 112 8.603 -6.278 0.231 1.00 0.00 H new ATOM 0 HB2 LEU A 112 10.509 -7.286 -0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 112 11.329 -7.461 0.790 1.00 0.00 H new ATOM 0 HG LEU A 112 8.805 -9.030 0.316 1.00 0.00 H new ATOM 0 HD11 LEU A 112 10.114 -10.901 -0.714 1.00 0.00 H new ATOM 0 HD12 LEU A 112 10.101 -9.448 -1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 112 11.543 -9.843 -0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 112 9.967 -10.747 1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.391 -9.683 1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 112 9.849 -9.172 2.552 1.00 0.00 H new ATOM 1706 N ALA A 113 9.529 -6.608 3.375 1.00 0.00 N ATOM 1707 CA ALA A 113 9.055 -6.935 4.741 1.00 0.00 C ATOM 1708 C ALA A 113 7.773 -6.154 5.121 1.00 0.00 C ATOM 1709 O ALA A 113 6.920 -6.677 5.852 1.00 0.00 O ATOM 1710 CB ALA A 113 10.175 -6.658 5.752 1.00 0.00 C ATOM 0 H ALA A 113 10.449 -6.169 3.355 1.00 0.00 H new ATOM 0 HA ALA A 113 8.796 -7.993 4.761 1.00 0.00 H new ATOM 0 HB1 ALA A 113 9.826 -6.898 6.756 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.042 -7.273 5.512 1.00 0.00 H new ATOM 0 HB3 ALA A 113 10.454 -5.605 5.707 1.00 0.00 H new ATOM 1716 N ASP A 114 7.633 -4.911 4.598 1.00 0.00 N ATOM 1717 CA ASP A 114 6.430 -4.096 4.814 1.00 0.00 C ATOM 1718 C ASP A 114 5.250 -4.655 3.983 1.00 0.00 C ATOM 1719 O ASP A 114 4.097 -4.641 4.430 1.00 0.00 O ATOM 1720 CB ASP A 114 6.712 -2.614 4.450 1.00 0.00 C ATOM 1721 CG ASP A 114 7.921 -2.007 5.201 1.00 0.00 C ATOM 1722 OD1 ASP A 114 8.096 -2.285 6.409 1.00 0.00 O ATOM 1723 OD2 ASP A 114 8.692 -1.237 4.595 1.00 0.00 O ATOM 0 H ASP A 114 8.344 -4.458 4.024 1.00 0.00 H new ATOM 0 HA ASP A 114 6.157 -4.141 5.868 1.00 0.00 H new ATOM 0 HB2 ASP A 114 6.888 -2.540 3.377 1.00 0.00 H new ATOM 0 HB3 ASP A 114 5.824 -2.020 4.669 1.00 0.00 H new ATOM 1728 N LEU A 115 5.582 -5.200 2.787 1.00 0.00 N ATOM 1729 CA LEU A 115 4.607 -5.805 1.866 1.00 0.00 C ATOM 1730 C LEU A 115 4.034 -7.107 2.460 1.00 0.00 C ATOM 1731 O LEU A 115 2.840 -7.208 2.691 1.00 0.00 O ATOM 1732 CB LEU A 115 5.289 -6.103 0.503 1.00 0.00 C ATOM 1733 CG LEU A 115 5.837 -4.862 -0.257 1.00 0.00 C ATOM 1734 CD1 LEU A 115 6.665 -5.252 -1.490 1.00 0.00 C ATOM 1735 CD2 LEU A 115 4.702 -3.923 -0.664 1.00 0.00 C ATOM 0 H LEU A 115 6.540 -5.229 2.439 1.00 0.00 H new ATOM 0 HA LEU A 115 3.787 -5.103 1.716 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.113 -6.796 0.673 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.571 -6.613 -0.139 1.00 0.00 H new ATOM 0 HG LEU A 115 6.499 -4.341 0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 115 7.025 -4.351 -1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 115 7.515 -5.860 -1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.043 -5.822 -2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 115 5.113 -3.064 -1.194 1.00 0.00 H new ATOM 0 HD22 LEU A 115 4.007 -4.453 -1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.175 -3.582 0.227 1.00 0.00 H new ATOM 1747 N GLN A 116 4.939 -8.050 2.783 1.00 0.00 N ATOM 1748 CA GLN A 116 4.597 -9.442 3.184 1.00 0.00 C ATOM 1749 C GLN A 116 3.815 -9.493 4.506 1.00 0.00 C ATOM 1750 O GLN A 116 2.995 -10.394 4.716 1.00 0.00 O ATOM 1751 CB GLN A 116 5.887 -10.295 3.290 1.00 0.00 C ATOM 1752 CG GLN A 116 6.716 -10.361 1.982 1.00 0.00 C ATOM 1753 CD GLN A 116 7.308 -11.747 1.664 1.00 0.00 C ATOM 1754 OE1 GLN A 116 7.603 -12.537 2.556 1.00 0.00 O ATOM 1755 NE2 GLN A 116 7.504 -12.043 0.392 1.00 0.00 N ATOM 0 H GLN A 116 5.943 -7.872 2.775 1.00 0.00 H new ATOM 0 HA GLN A 116 3.948 -9.854 2.411 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.514 -9.888 4.084 1.00 0.00 H new ATOM 0 HB3 GLN A 116 5.616 -11.308 3.586 1.00 0.00 H new ATOM 0 HG2 GLN A 116 6.082 -10.052 1.151 1.00 0.00 H new ATOM 0 HG3 GLN A 116 7.530 -9.639 2.047 1.00 0.00 H new ATOM 0 HE21 GLN A 116 7.251 -11.371 -0.333 1.00 0.00 H new ATOM 0 HE22 GLN A 116 7.908 -12.943 0.134 1.00 0.00 H new ATOM 1764 N ALA A 117 4.096 -8.517 5.385 1.00 0.00 N ATOM 1765 CA ALA A 117 3.335 -8.288 6.639 1.00 0.00 C ATOM 1766 C ALA A 117 1.795 -8.171 6.402 1.00 0.00 C ATOM 1767 O ALA A 117 0.997 -8.513 7.282 1.00 0.00 O ATOM 1768 CB ALA A 117 3.873 -7.025 7.330 1.00 0.00 C ATOM 0 H ALA A 117 4.862 -7.857 5.251 1.00 0.00 H new ATOM 0 HA ALA A 117 3.479 -9.158 7.280 1.00 0.00 H new ATOM 0 HB1 ALA A 117 3.319 -6.851 8.252 1.00 0.00 H new ATOM 0 HB2 ALA A 117 4.930 -7.159 7.562 1.00 0.00 H new ATOM 0 HB3 ALA A 117 3.753 -6.168 6.667 1.00 0.00 H new ATOM 1774 N HIS A 118 1.397 -7.661 5.209 1.00 0.00 N ATOM 1775 CA HIS A 118 -0.030 -7.482 4.816 1.00 0.00 C ATOM 1776 C HIS A 118 -0.311 -7.954 3.351 1.00 0.00 C ATOM 1777 O HIS A 118 -1.261 -7.479 2.718 1.00 0.00 O ATOM 1778 CB HIS A 118 -0.440 -5.988 4.989 1.00 0.00 C ATOM 1779 CG HIS A 118 -0.464 -5.515 6.420 1.00 0.00 C ATOM 1780 ND1 HIS A 118 -1.599 -5.539 7.200 1.00 0.00 N ATOM 1781 CD2 HIS A 118 0.513 -5.015 7.212 1.00 0.00 C ATOM 1782 CE1 HIS A 118 -1.324 -5.077 8.400 1.00 0.00 C ATOM 1783 NE2 HIS A 118 -0.051 -4.753 8.436 1.00 0.00 N ATOM 0 H HIS A 118 2.055 -7.361 4.490 1.00 0.00 H new ATOM 0 HA HIS A 118 -0.632 -8.110 5.473 1.00 0.00 H new ATOM 0 HB2 HIS A 118 0.253 -5.365 4.424 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -1.428 -5.841 4.553 1.00 0.00 H new ATOM 0 HD2 HIS A 118 1.544 -4.852 6.933 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -2.024 -4.980 9.216 1.00 0.00 H new ATOM 0 HE2 HIS A 118 0.439 -4.369 9.244 1.00 0.00 H new ATOM 1792 N ALA A 119 0.476 -8.927 2.830 1.00 0.00 N ATOM 1793 CA ALA A 119 0.331 -9.405 1.419 1.00 0.00 C ATOM 1794 C ALA A 119 0.181 -10.935 1.287 1.00 0.00 C ATOM 1795 O ALA A 119 0.388 -11.687 2.245 1.00 0.00 O ATOM 1796 CB ALA A 119 1.519 -8.934 0.574 1.00 0.00 C ATOM 0 H ALA A 119 1.214 -9.397 3.355 1.00 0.00 H new ATOM 0 HA ALA A 119 -0.598 -8.968 1.053 1.00 0.00 H new ATOM 0 HB1 ALA A 119 1.401 -9.289 -0.450 1.00 0.00 H new ATOM 0 HB2 ALA A 119 1.559 -7.845 0.578 1.00 0.00 H new ATOM 0 HB3 ALA A 119 2.443 -9.333 0.992 1.00 0.00 H new ATOM 1802 N LEU A 120 -0.190 -11.364 0.062 1.00 0.00 N ATOM 1803 CA LEU A 120 -0.273 -12.794 -0.331 1.00 0.00 C ATOM 1804 C LEU A 120 0.877 -13.102 -1.341 1.00 0.00 C ATOM 1805 O LEU A 120 0.958 -12.449 -2.392 1.00 0.00 O ATOM 1806 CB LEU A 120 -1.684 -13.091 -0.942 1.00 0.00 C ATOM 1807 CG LEU A 120 -2.176 -14.588 -0.994 1.00 0.00 C ATOM 1808 CD1 LEU A 120 -1.401 -15.457 -2.016 1.00 0.00 C ATOM 1809 CD2 LEU A 120 -2.159 -15.225 0.416 1.00 0.00 C ATOM 0 H LEU A 120 -0.443 -10.725 -0.691 1.00 0.00 H new ATOM 0 HA LEU A 120 -0.151 -13.441 0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -2.419 -12.519 -0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.694 -12.702 -1.960 1.00 0.00 H new ATOM 0 HG LEU A 120 -3.206 -14.559 -1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.792 -16.474 -1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -1.522 -15.039 -3.015 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -0.343 -15.470 -1.754 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -2.503 -16.257 0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -1.144 -15.204 0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -2.818 -14.663 1.077 1.00 0.00 H new ATOM 1821 N PRO A 121 1.796 -14.079 -1.015 1.00 0.00 N ATOM 1822 CA PRO A 121 2.989 -14.434 -1.863 1.00 0.00 C ATOM 1823 C PRO A 121 2.688 -14.867 -3.328 1.00 0.00 C ATOM 1824 O PRO A 121 1.562 -15.227 -3.679 1.00 0.00 O ATOM 1825 CB PRO A 121 3.664 -15.589 -1.071 1.00 0.00 C ATOM 1826 CG PRO A 121 3.200 -15.395 0.343 1.00 0.00 C ATOM 1827 CD PRO A 121 1.779 -14.885 0.234 1.00 0.00 C ATOM 0 HA PRO A 121 3.609 -13.550 -2.011 1.00 0.00 H new ATOM 0 HB2 PRO A 121 3.364 -16.563 -1.457 1.00 0.00 H new ATOM 0 HB3 PRO A 121 4.750 -15.538 -1.143 1.00 0.00 H new ATOM 0 HG2 PRO A 121 3.240 -16.330 0.901 1.00 0.00 H new ATOM 0 HG3 PRO A 121 3.834 -14.682 0.870 1.00 0.00 H new ATOM 0 HD2 PRO A 121 1.062 -15.704 0.174 1.00 0.00 H new ATOM 0 HD3 PRO A 121 1.502 -14.281 1.098 1.00 0.00 H new ATOM 1835 N VAL A 122 3.743 -14.834 -4.167 1.00 0.00 N ATOM 1836 CA VAL A 122 3.670 -15.199 -5.601 1.00 0.00 C ATOM 1837 C VAL A 122 4.276 -16.607 -5.853 1.00 0.00 C ATOM 1838 O VAL A 122 5.291 -16.976 -5.244 1.00 0.00 O ATOM 1839 CB VAL A 122 4.407 -14.110 -6.485 1.00 0.00 C ATOM 1840 CG1 VAL A 122 5.882 -13.910 -6.049 1.00 0.00 C ATOM 1841 CG2 VAL A 122 4.309 -14.430 -8.003 1.00 0.00 C ATOM 0 H VAL A 122 4.677 -14.552 -3.869 1.00 0.00 H new ATOM 0 HA VAL A 122 2.619 -15.231 -5.889 1.00 0.00 H new ATOM 0 HB VAL A 122 3.886 -13.168 -6.315 1.00 0.00 H new ATOM 0 HG11 VAL A 122 6.349 -13.155 -6.681 1.00 0.00 H new ATOM 0 HG12 VAL A 122 5.913 -13.583 -5.010 1.00 0.00 H new ATOM 0 HG13 VAL A 122 6.422 -14.852 -6.149 1.00 0.00 H new ATOM 0 HG21 VAL A 122 4.827 -13.658 -8.572 1.00 0.00 H new ATOM 0 HG22 VAL A 122 4.769 -15.398 -8.201 1.00 0.00 H new ATOM 0 HG23 VAL A 122 3.261 -14.459 -8.302 1.00 0.00 H new ATOM 1851 N LEU A 123 3.642 -17.394 -6.747 1.00 0.00 N ATOM 1852 CA LEU A 123 4.176 -18.693 -7.199 1.00 0.00 C ATOM 1853 C LEU A 123 5.236 -18.475 -8.317 1.00 0.00 C ATOM 1854 O LEU A 123 4.990 -18.705 -9.507 1.00 0.00 O ATOM 1855 CB LEU A 123 3.023 -19.641 -7.656 1.00 0.00 C ATOM 1856 CG LEU A 123 2.174 -20.325 -6.525 1.00 0.00 C ATOM 1857 CD1 LEU A 123 3.067 -21.159 -5.575 1.00 0.00 C ATOM 1858 CD2 LEU A 123 1.317 -19.305 -5.738 1.00 0.00 C ATOM 0 H LEU A 123 2.749 -17.147 -7.174 1.00 0.00 H new ATOM 0 HA LEU A 123 4.674 -19.183 -6.362 1.00 0.00 H new ATOM 0 HB2 LEU A 123 2.345 -19.069 -8.290 1.00 0.00 H new ATOM 0 HB3 LEU A 123 3.455 -20.426 -8.277 1.00 0.00 H new ATOM 0 HG LEU A 123 1.482 -21.007 -7.019 1.00 0.00 H new ATOM 0 HD11 LEU A 123 2.448 -21.619 -4.804 1.00 0.00 H new ATOM 0 HD12 LEU A 123 3.576 -21.937 -6.144 1.00 0.00 H new ATOM 0 HD13 LEU A 123 3.807 -20.509 -5.107 1.00 0.00 H new ATOM 0 HD21 LEU A 123 0.748 -19.825 -4.967 1.00 0.00 H new ATOM 0 HD22 LEU A 123 1.968 -18.566 -5.271 1.00 0.00 H new ATOM 0 HD23 LEU A 123 0.630 -18.804 -6.420 1.00 0.00 H new ATOM 1870 N GLU A 124 6.407 -17.972 -7.893 1.00 0.00 N ATOM 1871 CA GLU A 124 7.571 -17.682 -8.768 1.00 0.00 C ATOM 1872 C GLU A 124 8.892 -17.832 -7.952 1.00 0.00 C ATOM 1873 O GLU A 124 9.985 -17.469 -8.406 1.00 0.00 O ATOM 1874 CB GLU A 124 7.401 -16.243 -9.360 1.00 0.00 C ATOM 1875 CG GLU A 124 8.380 -15.848 -10.494 1.00 0.00 C ATOM 1876 CD GLU A 124 8.319 -16.767 -11.733 1.00 0.00 C ATOM 1877 OE1 GLU A 124 7.203 -17.085 -12.202 1.00 0.00 O ATOM 1878 OE2 GLU A 124 9.387 -17.149 -12.263 1.00 0.00 O ATOM 0 H GLU A 124 6.582 -17.749 -6.913 1.00 0.00 H new ATOM 0 HA GLU A 124 7.623 -18.390 -9.595 1.00 0.00 H new ATOM 0 HB2 GLU A 124 6.383 -16.146 -9.738 1.00 0.00 H new ATOM 0 HB3 GLU A 124 7.510 -15.524 -8.548 1.00 0.00 H new ATOM 0 HG2 GLU A 124 8.166 -14.825 -10.804 1.00 0.00 H new ATOM 0 HG3 GLU A 124 9.396 -15.855 -10.100 1.00 0.00 H new ATOM 1885 N HIS A 125 8.770 -18.447 -6.756 1.00 0.00 N ATOM 1886 CA HIS A 125 9.854 -18.529 -5.756 1.00 0.00 C ATOM 1887 C HIS A 125 10.890 -19.626 -6.130 1.00 0.00 C ATOM 1888 O HIS A 125 10.734 -20.801 -5.768 1.00 0.00 O ATOM 1889 CB HIS A 125 9.247 -18.791 -4.351 1.00 0.00 C ATOM 1890 CG HIS A 125 10.224 -18.672 -3.201 1.00 0.00 C ATOM 1891 ND1 HIS A 125 11.157 -19.639 -2.899 1.00 0.00 N ATOM 1892 CD2 HIS A 125 10.410 -17.688 -2.283 1.00 0.00 C ATOM 1893 CE1 HIS A 125 11.866 -19.264 -1.854 1.00 0.00 C ATOM 1894 NE2 HIS A 125 11.434 -18.089 -1.461 1.00 0.00 N ATOM 0 H HIS A 125 7.909 -18.904 -6.456 1.00 0.00 H new ATOM 0 HA HIS A 125 10.386 -17.578 -5.741 1.00 0.00 H new ATOM 0 HB2 HIS A 125 8.430 -18.089 -4.188 1.00 0.00 H new ATOM 0 HB3 HIS A 125 8.815 -19.792 -4.339 1.00 0.00 H new ATOM 0 HD2 HIS A 125 9.856 -16.763 -2.213 1.00 0.00 H new ATOM 0 HE1 HIS A 125 12.667 -19.828 -1.398 1.00 0.00 H new ATOM 0 HE2 HIS A 125 11.800 -17.558 -0.671 1.00 0.00 H new ATOM 1903 N HIS A 126 11.922 -19.220 -6.885 1.00 0.00 N ATOM 1904 CA HIS A 126 13.067 -20.083 -7.250 1.00 0.00 C ATOM 1905 C HIS A 126 14.319 -19.224 -7.561 1.00 0.00 C ATOM 1906 O HIS A 126 14.219 -18.190 -8.227 1.00 0.00 O ATOM 1907 CB HIS A 126 12.706 -21.028 -8.443 1.00 0.00 C ATOM 1908 CG HIS A 126 11.970 -20.374 -9.599 1.00 0.00 C ATOM 1909 ND1 HIS A 126 10.750 -20.827 -10.055 1.00 0.00 N ATOM 1910 CD2 HIS A 126 12.284 -19.319 -10.396 1.00 0.00 C ATOM 1911 CE1 HIS A 126 10.353 -20.090 -11.070 1.00 0.00 C ATOM 1912 NE2 HIS A 126 11.260 -19.168 -11.297 1.00 0.00 N ATOM 0 H HIS A 126 11.990 -18.276 -7.265 1.00 0.00 H new ATOM 0 HA HIS A 126 13.302 -20.719 -6.396 1.00 0.00 H new ATOM 0 HB2 HIS A 126 13.627 -21.469 -8.825 1.00 0.00 H new ATOM 0 HB3 HIS A 126 12.094 -21.846 -8.063 1.00 0.00 H new ATOM 0 HD2 HIS A 126 13.175 -18.712 -10.332 1.00 0.00 H new ATOM 0 HE1 HIS A 126 9.435 -20.221 -11.624 1.00 0.00 H new ATOM 0 HE2 HIS A 126 11.211 -18.455 -12.025 1.00 0.00 H new ATOM 1921 N HIS A 127 15.488 -19.652 -7.055 1.00 0.00 N ATOM 1922 CA HIS A 127 16.780 -18.977 -7.318 1.00 0.00 C ATOM 1923 C HIS A 127 17.427 -19.572 -8.602 1.00 0.00 C ATOM 1924 O HIS A 127 17.111 -20.701 -8.989 1.00 0.00 O ATOM 1925 CB HIS A 127 17.711 -19.114 -6.072 1.00 0.00 C ATOM 1926 CG HIS A 127 18.701 -17.984 -5.918 1.00 0.00 C ATOM 1927 ND1 HIS A 127 20.058 -18.129 -6.083 1.00 0.00 N ATOM 1928 CD2 HIS A 127 18.510 -16.685 -5.578 1.00 0.00 C ATOM 1929 CE1 HIS A 127 20.656 -16.980 -5.862 1.00 0.00 C ATOM 1930 NE2 HIS A 127 19.745 -16.088 -5.552 1.00 0.00 N ATOM 0 H HIS A 127 15.569 -20.472 -6.454 1.00 0.00 H new ATOM 0 HA HIS A 127 16.619 -17.913 -7.491 1.00 0.00 H new ATOM 0 HB2 HIS A 127 17.094 -19.168 -5.175 1.00 0.00 H new ATOM 0 HB3 HIS A 127 18.257 -20.055 -6.141 1.00 0.00 H new ATOM 0 HD2 HIS A 127 17.563 -16.210 -5.367 1.00 0.00 H new ATOM 0 HE1 HIS A 127 21.719 -16.800 -5.925 1.00 0.00 H new ATOM 0 HE2 HIS A 127 19.926 -15.109 -5.328 1.00 0.00 H new ATOM 1939 N HIS A 128 18.323 -18.803 -9.250 1.00 0.00 N ATOM 1940 CA HIS A 128 18.909 -19.157 -10.574 1.00 0.00 C ATOM 1941 C HIS A 128 19.762 -20.466 -10.555 1.00 0.00 C ATOM 1942 O HIS A 128 19.710 -21.246 -11.516 1.00 0.00 O ATOM 1943 CB HIS A 128 19.753 -17.962 -11.094 1.00 0.00 C ATOM 1944 CG HIS A 128 20.453 -18.197 -12.410 1.00 0.00 C ATOM 1945 ND1 HIS A 128 21.790 -18.518 -12.500 1.00 0.00 N ATOM 1946 CD2 HIS A 128 19.996 -18.173 -13.685 1.00 0.00 C ATOM 1947 CE1 HIS A 128 22.125 -18.673 -13.762 1.00 0.00 C ATOM 1948 NE2 HIS A 128 21.061 -18.469 -14.499 1.00 0.00 N ATOM 0 H HIS A 128 18.666 -17.918 -8.877 1.00 0.00 H new ATOM 0 HA HIS A 128 18.078 -19.359 -11.249 1.00 0.00 H new ATOM 0 HB2 HIS A 128 19.101 -17.094 -11.197 1.00 0.00 H new ATOM 0 HB3 HIS A 128 20.501 -17.711 -10.342 1.00 0.00 H new ATOM 0 HD1 HIS A 128 22.424 -18.620 -11.707 1.00 0.00 H new ATOM 0 HD2 HIS A 128 18.985 -17.961 -14.001 1.00 0.00 H new ATOM 0 HE1 HIS A 128 23.109 -18.925 -14.129 1.00 0.00 H new ATOM 1957 N HIS A 129 20.541 -20.676 -9.465 1.00 0.00 N ATOM 1958 CA HIS A 129 21.519 -21.803 -9.331 1.00 0.00 C ATOM 1959 C HIS A 129 22.709 -21.679 -10.327 1.00 0.00 C ATOM 1960 O HIS A 129 22.793 -20.723 -11.106 1.00 0.00 O ATOM 1961 CB HIS A 129 20.834 -23.200 -9.456 1.00 0.00 C ATOM 1962 CG HIS A 129 19.879 -23.528 -8.337 1.00 0.00 C ATOM 1963 ND1 HIS A 129 20.288 -24.074 -7.139 1.00 0.00 N ATOM 1964 CD2 HIS A 129 18.538 -23.392 -8.240 1.00 0.00 C ATOM 1965 CE1 HIS A 129 19.243 -24.258 -6.360 1.00 0.00 C ATOM 1966 NE2 HIS A 129 18.172 -23.852 -7.002 1.00 0.00 N ATOM 0 H HIS A 129 20.514 -20.069 -8.646 1.00 0.00 H new ATOM 0 HA HIS A 129 21.927 -21.724 -8.323 1.00 0.00 H new ATOM 0 HB2 HIS A 129 20.294 -23.243 -10.402 1.00 0.00 H new ATOM 0 HB3 HIS A 129 21.607 -23.968 -9.495 1.00 0.00 H new ATOM 0 HD2 HIS A 129 17.878 -22.995 -8.997 1.00 0.00 H new ATOM 0 HE1 HIS A 129 19.263 -24.672 -5.363 1.00 0.00 H new ATOM 0 HE2 HIS A 129 17.220 -23.875 -6.638 1.00 0.00 H new ATOM 1975 N HIS A 130 23.643 -22.649 -10.270 1.00 0.00 N ATOM 1976 CA HIS A 130 24.802 -22.718 -11.196 1.00 0.00 C ATOM 1977 C HIS A 130 25.210 -24.202 -11.434 1.00 0.00 C ATOM 1978 O HIS A 130 25.824 -24.814 -10.533 1.00 0.00 O ATOM 1979 CB HIS A 130 25.994 -21.884 -10.642 1.00 0.00 C ATOM 1980 CG HIS A 130 27.220 -21.877 -11.531 1.00 0.00 C ATOM 1981 ND1 HIS A 130 28.416 -22.474 -11.182 1.00 0.00 N ATOM 1982 CD2 HIS A 130 27.428 -21.329 -12.753 1.00 0.00 C ATOM 1983 CE1 HIS A 130 29.296 -22.295 -12.147 1.00 0.00 C ATOM 1984 NE2 HIS A 130 28.724 -21.604 -13.109 1.00 0.00 N ATOM 1985 OXT HIS A 130 24.909 -24.750 -12.522 1.00 0.00 O ATOM 0 H HIS A 130 23.620 -23.405 -9.586 1.00 0.00 H new ATOM 0 HA HIS A 130 24.515 -22.288 -12.155 1.00 0.00 H new ATOM 0 HB2 HIS A 130 25.664 -20.856 -10.492 1.00 0.00 H new ATOM 0 HB3 HIS A 130 26.272 -22.276 -9.664 1.00 0.00 H new ATOM 0 HD2 HIS A 130 26.707 -20.778 -13.338 1.00 0.00 H new ATOM 0 HE1 HIS A 130 30.314 -22.655 -12.148 1.00 0.00 H new ATOM 0 HE2 HIS A 130 29.172 -21.319 -13.980 1.00 0.00 H new TER 1994 HIS A 130