USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 786 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 31 GLN : amide:sc= -10.5! C(o=-15!,f=-18!) USER MOD Set 1.2: A 105 MET CE :methyl -152:sc= -4.51! (180deg=-1.41) USER MOD Set 2.1: A 44 LYS NZ :NH3+ -151:sc= 0.901 (180deg=0) USER MOD Set 2.2: A 103 GLN :FLIP amide:sc= -12.3! C(o=-12!,f=-11!) USER MOD Set 3.1: A 64 LYS NZ :NH3+ -167:sc= 0.256 (180deg=0.145) USER MOD Set 3.2: A 65 TYR OH : rot 85:sc= 0.783 USER MOD Set 4.1: A 39 SER OG : rot 180:sc= -0.785 USER MOD Set 4.2: A 41 SER OG : rot 180:sc= -0.0462 USER MOD Set 5.1: A 16 GLN :FLIP amide:sc= -2.55! C(o=-8.6!,f=-7.7!) USER MOD Set 5.2: A 19 GLN :FLIP amide:sc= -5.16! C(o=-8.2!,f=-7.7!) USER MOD Set 6.1: A 18 CYS SG : rot -40:sc= 0.98 USER MOD Set 6.2: A 23 THR OG1 : rot 129:sc= 1.29 USER MOD Single : A 1 SER N :NH3+ -144:sc= 0.246 (180deg=0.0061) USER MOD Single : A 1 SER OG : rot 180:sc= 0.476! USER MOD Single : A 3 THR OG1 : rot -54:sc= 0.57 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN :FLIP amide:sc= -3.48 F(o=-8!,f=-3.5) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -78:sc= -2.26! USER MOD Single : A 36 SER OG : rot -92:sc= 0.971 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 171:sc= 0 (180deg=-0.0333) USER MOD Single : A 42 GLN : amide:sc= -8.62! C(o=-8.6!,f=-11!) USER MOD Single : A 52 ASN : amide:sc= 0.456 K(o=0.46,f=-5.6!) USER MOD Single : A 54 GLN : amide:sc= -10! C(o=-10!,f=-11!) USER MOD Single : A 55 SER OG : rot -52:sc= 1.02 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.0193 K(o=-0.019,f=-1.1) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.0928 F(o=-1.9,f=-0.093) USER MOD Single : A 72 SER OG : rot 94:sc= 0.969 USER MOD Single : A 78 THR OG1 : rot 160:sc= 0.944 USER MOD Single : A 80 SER OG : rot 147:sc= -2.22 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 162:sc= -0.0738 (180deg=-0.426) USER MOD Single : A 84 SER OG : rot 146:sc= -0.757! USER MOD Single : A 86 MET CE :methyl -128:sc= -4.91! (180deg=-7.54!) USER MOD Single : A 91 ASN :FLIP amide:sc= -4.65! C(o=-5.3!,f=-4.7!) USER MOD Single : A 96 LYS NZ :NH3+ -123:sc= -0.079 (180deg=-1.34) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 0.898 -7.944 -5.219 1.00 0.00 N ATOM 2 CA SER A 1 1.351 -7.598 -6.591 1.00 0.00 C ATOM 3 C SER A 1 2.710 -6.916 -6.557 1.00 0.00 C ATOM 4 O SER A 1 3.461 -7.084 -5.609 1.00 0.00 O ATOM 5 CB SER A 1 0.318 -6.700 -7.275 1.00 0.00 C ATOM 6 OG SER A 1 0.713 -6.382 -8.599 1.00 0.00 O ATOM 0 H1 SER A 1 0.385 -8.848 -5.241 1.00 0.00 H new ATOM 0 H2 SER A 1 1.723 -8.029 -4.592 1.00 0.00 H new ATOM 0 H3 SER A 1 0.268 -7.197 -4.863 1.00 0.00 H new ATOM 0 HA SER A 1 1.450 -8.520 -7.164 1.00 0.00 H new ATOM 0 HB2 SER A 1 -0.650 -7.201 -7.292 1.00 0.00 H new ATOM 0 HB3 SER A 1 0.192 -5.783 -6.700 1.00 0.00 H new ATOM 0 HG SER A 1 0.035 -5.809 -9.014 1.00 0.00 H new ATOM 14 N ILE A 2 3.024 -6.168 -7.608 1.00 0.00 N ATOM 15 CA ILE A 2 4.294 -5.478 -7.722 1.00 0.00 C ATOM 16 C ILE A 2 5.355 -6.481 -8.216 1.00 0.00 C ATOM 17 O ILE A 2 5.353 -6.845 -9.390 1.00 0.00 O ATOM 18 CB ILE A 2 4.728 -4.796 -6.407 1.00 0.00 C ATOM 19 CG1 ILE A 2 3.629 -3.892 -5.888 1.00 0.00 C ATOM 20 CG2 ILE A 2 6.006 -4.001 -6.613 1.00 0.00 C ATOM 21 CD1 ILE A 2 2.789 -4.561 -4.840 1.00 0.00 C ATOM 0 H ILE A 2 2.402 -6.025 -8.404 1.00 0.00 H new ATOM 0 HA ILE A 2 4.183 -4.668 -8.443 1.00 0.00 H new ATOM 0 HB ILE A 2 4.918 -5.574 -5.667 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.072 -2.987 -5.472 1.00 0.00 H new ATOM 0 HG13 ILE A 2 2.993 -3.583 -6.718 1.00 0.00 H new ATOM 0 HG21 ILE A 2 6.295 -3.528 -5.675 1.00 0.00 H new ATOM 0 HG22 ILE A 2 6.801 -4.670 -6.943 1.00 0.00 H new ATOM 0 HG23 ILE A 2 5.840 -3.234 -7.370 1.00 0.00 H new ATOM 0 HD11 ILE A 2 2.015 -3.873 -4.500 1.00 0.00 H new ATOM 0 HD12 ILE A 2 2.322 -5.451 -5.261 1.00 0.00 H new ATOM 0 HD13 ILE A 2 3.418 -4.846 -3.997 1.00 0.00 H new ATOM 33 N THR A 3 6.266 -6.896 -7.332 1.00 0.00 N ATOM 34 CA THR A 3 7.294 -7.880 -7.651 1.00 0.00 C ATOM 35 C THR A 3 8.331 -7.343 -8.633 1.00 0.00 C ATOM 36 O THR A 3 9.196 -8.091 -9.088 1.00 0.00 O ATOM 37 CB THR A 3 6.703 -9.201 -8.183 1.00 0.00 C ATOM 38 OG1 THR A 3 6.220 -9.044 -9.521 1.00 0.00 O ATOM 39 CG2 THR A 3 5.581 -9.675 -7.275 1.00 0.00 C ATOM 0 H THR A 3 6.308 -6.555 -6.372 1.00 0.00 H new ATOM 0 HA THR A 3 7.796 -8.089 -6.706 1.00 0.00 H new ATOM 0 HB THR A 3 7.495 -9.950 -8.192 1.00 0.00 H new ATOM 0 HG1 THR A 3 5.593 -8.292 -9.556 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.171 -10.609 -7.660 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.970 -9.837 -6.270 1.00 0.00 H new ATOM 0 HG23 THR A 3 4.796 -8.920 -7.243 1.00 0.00 H new ATOM 47 N ASP A 4 8.255 -6.053 -8.967 1.00 0.00 N ATOM 48 CA ASP A 4 9.240 -5.465 -9.867 1.00 0.00 C ATOM 49 C ASP A 4 10.623 -5.661 -9.262 1.00 0.00 C ATOM 50 O ASP A 4 11.537 -6.161 -9.916 1.00 0.00 O ATOM 51 CB ASP A 4 8.955 -3.980 -10.107 1.00 0.00 C ATOM 52 CG ASP A 4 8.758 -3.207 -8.820 1.00 0.00 C ATOM 53 OD1 ASP A 4 9.768 -2.893 -8.156 1.00 0.00 O ATOM 54 OD2 ASP A 4 7.594 -2.921 -8.473 1.00 0.00 O ATOM 0 H ASP A 4 7.537 -5.410 -8.634 1.00 0.00 H new ATOM 0 HA ASP A 4 9.187 -5.960 -10.837 1.00 0.00 H new ATOM 0 HB2 ASP A 4 9.781 -3.542 -10.666 1.00 0.00 H new ATOM 0 HB3 ASP A 4 8.063 -3.881 -10.726 1.00 0.00 H new ATOM 59 N ILE A 5 10.766 -5.259 -7.999 1.00 0.00 N ATOM 60 CA ILE A 5 12.011 -5.450 -7.274 1.00 0.00 C ATOM 61 C ILE A 5 11.683 -5.905 -5.857 1.00 0.00 C ATOM 62 O ILE A 5 11.476 -5.097 -4.954 1.00 0.00 O ATOM 63 CB ILE A 5 12.829 -4.143 -7.220 1.00 0.00 C ATOM 64 CG1 ILE A 5 12.880 -3.488 -8.604 1.00 0.00 C ATOM 65 CG2 ILE A 5 14.235 -4.417 -6.708 1.00 0.00 C ATOM 66 CD1 ILE A 5 13.142 -2.000 -8.563 1.00 0.00 C ATOM 0 H ILE A 5 10.031 -4.799 -7.461 1.00 0.00 H new ATOM 0 HA ILE A 5 12.610 -6.201 -7.789 1.00 0.00 H new ATOM 0 HB ILE A 5 12.339 -3.456 -6.530 1.00 0.00 H new ATOM 0 HG12 ILE A 5 13.659 -3.969 -9.195 1.00 0.00 H new ATOM 0 HG13 ILE A 5 11.935 -3.668 -9.116 1.00 0.00 H new ATOM 0 HG21 ILE A 5 14.799 -3.485 -6.676 1.00 0.00 H new ATOM 0 HG22 ILE A 5 14.181 -4.843 -5.706 1.00 0.00 H new ATOM 0 HG23 ILE A 5 14.734 -5.120 -7.375 1.00 0.00 H new ATOM 0 HD11 ILE A 5 13.164 -1.606 -9.579 1.00 0.00 H new ATOM 0 HD12 ILE A 5 12.350 -1.506 -8.000 1.00 0.00 H new ATOM 0 HD13 ILE A 5 14.101 -1.813 -8.080 1.00 0.00 H new ATOM 78 N LEU A 6 11.663 -7.218 -5.686 1.00 0.00 N ATOM 79 CA LEU A 6 11.344 -7.820 -4.395 1.00 0.00 C ATOM 80 C LEU A 6 11.522 -9.331 -4.407 1.00 0.00 C ATOM 81 O LEU A 6 11.629 -9.946 -5.467 1.00 0.00 O ATOM 82 CB LEU A 6 9.894 -7.510 -4.013 1.00 0.00 C ATOM 83 CG LEU A 6 9.665 -6.229 -3.211 1.00 0.00 C ATOM 84 CD1 LEU A 6 8.917 -5.201 -4.047 1.00 0.00 C ATOM 85 CD2 LEU A 6 8.892 -6.537 -1.938 1.00 0.00 C ATOM 0 H LEU A 6 11.864 -7.891 -6.426 1.00 0.00 H new ATOM 0 HA LEU A 6 12.035 -7.393 -3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.304 -7.451 -4.928 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.505 -8.349 -3.436 1.00 0.00 H new ATOM 0 HG LEU A 6 10.635 -5.812 -2.940 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.763 -4.296 -3.459 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.500 -4.961 -4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.951 -5.608 -4.345 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.735 -5.616 -1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.927 -6.974 -2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.459 -7.242 -1.330 1.00 0.00 H new ATOM 97 N SER A 7 11.552 -9.921 -3.218 1.00 0.00 N ATOM 98 CA SER A 7 11.609 -11.365 -3.089 1.00 0.00 C ATOM 99 C SER A 7 10.172 -11.875 -3.143 1.00 0.00 C ATOM 100 O SER A 7 9.356 -11.528 -2.289 1.00 0.00 O ATOM 101 CB SER A 7 12.278 -11.772 -1.777 1.00 0.00 C ATOM 102 OG SER A 7 13.658 -11.453 -1.787 1.00 0.00 O ATOM 0 H SER A 7 11.538 -9.418 -2.331 1.00 0.00 H new ATOM 0 HA SER A 7 12.204 -11.797 -3.893 1.00 0.00 H new ATOM 0 HB2 SER A 7 11.791 -11.265 -0.944 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.150 -12.843 -1.617 1.00 0.00 H new ATOM 0 HG SER A 7 14.062 -11.722 -0.936 1.00 0.00 H new ATOM 108 N ALA A 8 9.859 -12.693 -4.136 1.00 0.00 N ATOM 109 CA ALA A 8 8.495 -13.184 -4.311 1.00 0.00 C ATOM 110 C ALA A 8 7.969 -13.909 -3.072 1.00 0.00 C ATOM 111 O ALA A 8 6.879 -13.604 -2.590 1.00 0.00 O ATOM 112 CB ALA A 8 8.416 -14.091 -5.529 1.00 0.00 C ATOM 0 H ALA A 8 10.525 -13.031 -4.831 1.00 0.00 H new ATOM 0 HA ALA A 8 7.857 -12.313 -4.464 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.394 -14.451 -5.649 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.711 -13.533 -6.418 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.086 -14.940 -5.394 1.00 0.00 H new ATOM 118 N GLU A 9 8.736 -14.872 -2.558 1.00 0.00 N ATOM 119 CA GLU A 9 8.300 -15.643 -1.394 1.00 0.00 C ATOM 120 C GLU A 9 8.120 -14.743 -0.183 1.00 0.00 C ATOM 121 O GLU A 9 7.067 -14.745 0.453 1.00 0.00 O ATOM 122 CB GLU A 9 9.318 -16.736 -1.081 1.00 0.00 C ATOM 123 CG GLU A 9 9.431 -17.778 -2.171 1.00 0.00 C ATOM 124 CD GLU A 9 8.153 -18.573 -2.357 1.00 0.00 C ATOM 125 OE1 GLU A 9 7.989 -19.602 -1.668 1.00 0.00 O ATOM 126 OE2 GLU A 9 7.316 -18.166 -3.191 1.00 0.00 O ATOM 0 H GLU A 9 9.651 -15.134 -2.924 1.00 0.00 H new ATOM 0 HA GLU A 9 7.339 -16.101 -1.628 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.295 -16.279 -0.923 1.00 0.00 H new ATOM 0 HB3 GLU A 9 9.040 -17.225 -0.148 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.689 -17.289 -3.110 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.247 -18.460 -1.932 1.00 0.00 H new ATOM 133 N ASP A 10 9.156 -13.974 0.135 1.00 0.00 N ATOM 134 CA ASP A 10 9.080 -13.040 1.247 1.00 0.00 C ATOM 135 C ASP A 10 7.856 -12.169 1.108 1.00 0.00 C ATOM 136 O ASP A 10 7.231 -11.806 2.096 1.00 0.00 O ATOM 137 CB ASP A 10 10.341 -12.185 1.309 1.00 0.00 C ATOM 138 CG ASP A 10 11.566 -12.983 1.714 1.00 0.00 C ATOM 139 OD1 ASP A 10 12.150 -13.660 0.841 1.00 0.00 O ATOM 140 OD2 ASP A 10 11.941 -12.932 2.904 1.00 0.00 O ATOM 0 H ASP A 10 10.049 -13.980 -0.358 1.00 0.00 H new ATOM 0 HA ASP A 10 9.003 -13.604 2.176 1.00 0.00 H new ATOM 0 HB2 ASP A 10 10.515 -11.729 0.334 1.00 0.00 H new ATOM 0 HB3 ASP A 10 10.190 -11.372 2.019 1.00 0.00 H new ATOM 145 N ILE A 11 7.506 -11.859 -0.122 1.00 0.00 N ATOM 146 CA ILE A 11 6.333 -11.056 -0.387 1.00 0.00 C ATOM 147 C ILE A 11 5.091 -11.824 0.064 1.00 0.00 C ATOM 148 O ILE A 11 4.238 -11.294 0.774 1.00 0.00 O ATOM 149 CB ILE A 11 6.278 -10.694 -1.899 1.00 0.00 C ATOM 150 CG1 ILE A 11 6.790 -9.271 -2.125 1.00 0.00 C ATOM 151 CG2 ILE A 11 4.893 -10.873 -2.524 1.00 0.00 C ATOM 152 CD1 ILE A 11 6.840 -8.907 -3.586 1.00 0.00 C ATOM 0 H ILE A 11 8.018 -12.151 -0.954 1.00 0.00 H new ATOM 0 HA ILE A 11 6.375 -10.121 0.172 1.00 0.00 H new ATOM 0 HB ILE A 11 6.931 -11.404 -2.407 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.145 -8.567 -1.599 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.786 -9.173 -1.694 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.932 -10.602 -3.579 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.582 -11.913 -2.428 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.177 -10.232 -2.011 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.210 -7.887 -3.694 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.507 -9.593 -4.109 1.00 0.00 H new ATOM 0 HD13 ILE A 11 5.840 -8.977 -4.013 1.00 0.00 H new ATOM 164 N ALA A 12 5.004 -13.079 -0.365 1.00 0.00 N ATOM 165 CA ALA A 12 3.872 -13.915 -0.009 1.00 0.00 C ATOM 166 C ALA A 12 3.774 -14.028 1.492 1.00 0.00 C ATOM 167 O ALA A 12 2.731 -13.777 2.070 1.00 0.00 O ATOM 168 CB ALA A 12 4.003 -15.291 -0.630 1.00 0.00 C ATOM 0 H ALA A 12 5.701 -13.534 -0.955 1.00 0.00 H new ATOM 0 HA ALA A 12 2.963 -13.453 -0.395 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.144 -15.900 -0.350 1.00 0.00 H new ATOM 0 HB2 ALA A 12 4.043 -15.198 -1.715 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.917 -15.766 -0.272 1.00 0.00 H new ATOM 174 N ALA A 13 4.863 -14.390 2.135 1.00 0.00 N ATOM 175 CA ALA A 13 4.846 -14.486 3.578 1.00 0.00 C ATOM 176 C ALA A 13 4.544 -13.116 4.160 1.00 0.00 C ATOM 177 O ALA A 13 3.608 -12.941 4.930 1.00 0.00 O ATOM 178 CB ALA A 13 6.174 -15.009 4.102 1.00 0.00 C ATOM 0 H ALA A 13 5.754 -14.618 1.693 1.00 0.00 H new ATOM 0 HA ALA A 13 4.072 -15.190 3.882 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.137 -15.072 5.190 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.364 -15.999 3.687 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.975 -14.331 3.805 1.00 0.00 H new ATOM 184 N ALA A 14 5.336 -12.144 3.731 1.00 0.00 N ATOM 185 CA ALA A 14 5.171 -10.767 4.181 1.00 0.00 C ATOM 186 C ALA A 14 3.713 -10.330 4.089 1.00 0.00 C ATOM 187 O ALA A 14 3.160 -9.775 5.039 1.00 0.00 O ATOM 188 CB ALA A 14 6.041 -9.833 3.352 1.00 0.00 C ATOM 0 H ALA A 14 6.101 -12.283 3.071 1.00 0.00 H new ATOM 0 HA ALA A 14 5.481 -10.717 5.225 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.908 -8.808 3.699 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.087 -10.119 3.459 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.752 -9.902 2.303 1.00 0.00 H new ATOM 194 N LEU A 15 3.097 -10.581 2.945 1.00 0.00 N ATOM 195 CA LEU A 15 1.712 -10.210 2.724 1.00 0.00 C ATOM 196 C LEU A 15 0.770 -11.149 3.452 1.00 0.00 C ATOM 197 O LEU A 15 -0.041 -10.739 4.281 1.00 0.00 O ATOM 198 CB LEU A 15 1.395 -10.269 1.231 1.00 0.00 C ATOM 199 CG LEU A 15 0.185 -9.448 0.762 1.00 0.00 C ATOM 200 CD1 LEU A 15 -0.337 -9.991 -0.558 1.00 0.00 C ATOM 201 CD2 LEU A 15 -0.922 -9.424 1.805 1.00 0.00 C ATOM 0 H LEU A 15 3.540 -11.044 2.151 1.00 0.00 H new ATOM 0 HA LEU A 15 1.573 -9.199 3.106 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.273 -9.930 0.681 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.229 -11.311 0.957 1.00 0.00 H new ATOM 0 HG LEU A 15 0.517 -8.420 0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.195 -9.401 -0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.448 -9.932 -1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.639 -11.030 -0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.759 -8.833 1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.257 -10.442 2.004 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.545 -8.980 2.726 1.00 0.00 H new ATOM 213 N GLN A 16 0.910 -12.423 3.126 1.00 0.00 N ATOM 214 CA GLN A 16 0.063 -13.483 3.634 1.00 0.00 C ATOM 215 C GLN A 16 0.285 -13.802 5.109 1.00 0.00 C ATOM 216 O GLN A 16 -0.416 -14.645 5.668 1.00 0.00 O ATOM 217 CB GLN A 16 0.312 -14.719 2.789 1.00 0.00 C ATOM 218 CG GLN A 16 0.204 -14.407 1.315 1.00 0.00 C ATOM 219 CD GLN A 16 -1.183 -13.972 0.913 1.00 0.00 C ATOM 220 OE1 GLN A 16 -1.413 -12.669 0.991 1.00 0.00 O flip ATOM 221 NE2 GLN A 16 -2.029 -14.786 0.541 1.00 0.00 N flip ATOM 0 H GLN A 16 1.632 -12.754 2.486 1.00 0.00 H new ATOM 0 HA GLN A 16 -0.971 -13.145 3.565 1.00 0.00 H new ATOM 0 HB2 GLN A 16 1.303 -15.118 3.007 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.408 -15.494 3.053 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.915 -13.621 1.061 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.485 -15.289 0.739 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.798 -15.779 0.500 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.961 -14.467 0.274 1.00 0.00 H new ATOM 230 N GLU A 17 1.246 -13.145 5.751 1.00 0.00 N ATOM 231 CA GLU A 17 1.537 -13.463 7.142 1.00 0.00 C ATOM 232 C GLU A 17 0.342 -13.206 8.040 1.00 0.00 C ATOM 233 O GLU A 17 -0.296 -14.140 8.524 1.00 0.00 O ATOM 234 CB GLU A 17 2.724 -12.651 7.648 1.00 0.00 C ATOM 235 CG GLU A 17 3.070 -12.943 9.095 1.00 0.00 C ATOM 236 CD GLU A 17 3.030 -14.422 9.430 1.00 0.00 C ATOM 237 OE1 GLU A 17 1.945 -14.918 9.799 1.00 0.00 O ATOM 238 OE2 GLU A 17 4.084 -15.084 9.325 1.00 0.00 O ATOM 0 H GLU A 17 1.822 -12.409 5.343 1.00 0.00 H new ATOM 0 HA GLU A 17 1.778 -14.525 7.178 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.593 -12.860 7.024 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.503 -11.589 7.541 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.066 -12.555 9.310 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.374 -12.411 9.743 1.00 0.00 H new ATOM 245 N CYS A 18 0.040 -11.939 8.264 1.00 0.00 N ATOM 246 CA CYS A 18 -1.071 -11.536 9.112 1.00 0.00 C ATOM 247 C CYS A 18 -2.231 -10.973 8.300 1.00 0.00 C ATOM 248 O CYS A 18 -3.230 -10.553 8.874 1.00 0.00 O ATOM 249 CB CYS A 18 -0.605 -10.493 10.126 1.00 0.00 C ATOM 250 SG CYS A 18 -1.756 -10.224 11.494 1.00 0.00 S ATOM 0 H CYS A 18 0.559 -11.158 7.863 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.424 -12.427 9.631 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.358 -10.802 10.532 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.444 -9.547 9.609 1.00 0.00 H new ATOM 0 HG CYS A 18 -2.975 -10.230 11.043 1.00 0.00 H new ATOM 256 N GLN A 19 -2.117 -11.002 6.970 1.00 0.00 N ATOM 257 CA GLN A 19 -3.104 -10.351 6.112 1.00 0.00 C ATOM 258 C GLN A 19 -4.541 -10.601 6.563 1.00 0.00 C ATOM 259 O GLN A 19 -4.916 -11.687 7.000 1.00 0.00 O ATOM 260 CB GLN A 19 -2.902 -10.789 4.651 1.00 0.00 C ATOM 261 CG GLN A 19 -4.144 -10.692 3.762 1.00 0.00 C ATOM 262 CD GLN A 19 -3.810 -10.601 2.284 1.00 0.00 C ATOM 263 OE1 GLN A 19 -3.738 -9.376 1.772 1.00 0.00 O flip ATOM 264 NE2 GLN A 19 -3.635 -11.616 1.609 1.00 0.00 N flip ATOM 0 H GLN A 19 -1.358 -11.465 6.470 1.00 0.00 H new ATOM 0 HA GLN A 19 -2.943 -9.276 6.192 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.112 -10.179 4.212 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.550 -11.820 4.643 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.775 -11.564 3.933 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.724 -9.816 4.052 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.700 -12.536 2.045 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -3.425 -11.537 0.614 1.00 0.00 H new ATOM 273 N ASP A 20 -5.318 -9.529 6.424 1.00 0.00 N ATOM 274 CA ASP A 20 -6.724 -9.479 6.787 1.00 0.00 C ATOM 275 C ASP A 20 -7.213 -8.042 6.630 1.00 0.00 C ATOM 276 O ASP A 20 -6.404 -7.116 6.565 1.00 0.00 O ATOM 277 CB ASP A 20 -6.936 -9.958 8.227 1.00 0.00 C ATOM 278 CG ASP A 20 -7.231 -11.443 8.308 1.00 0.00 C ATOM 279 OD1 ASP A 20 -8.308 -11.861 7.832 1.00 0.00 O ATOM 280 OD2 ASP A 20 -6.389 -12.188 8.852 1.00 0.00 O ATOM 0 H ASP A 20 -4.972 -8.648 6.044 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.291 -10.142 6.133 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.046 -9.735 8.815 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.761 -9.402 8.674 1.00 0.00 H new ATOM 285 N PRO A 21 -8.530 -7.826 6.563 1.00 0.00 N ATOM 286 CA PRO A 21 -9.095 -6.485 6.420 1.00 0.00 C ATOM 287 C PRO A 21 -8.949 -5.663 7.696 1.00 0.00 C ATOM 288 O PRO A 21 -9.947 -5.249 8.285 1.00 0.00 O ATOM 289 CB PRO A 21 -10.564 -6.769 6.128 1.00 0.00 C ATOM 290 CG PRO A 21 -10.835 -8.067 6.787 1.00 0.00 C ATOM 291 CD PRO A 21 -9.577 -8.860 6.623 1.00 0.00 C ATOM 0 HA PRO A 21 -8.595 -5.899 5.649 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.206 -5.982 6.525 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.751 -6.823 5.056 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.080 -7.930 7.840 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.683 -8.573 6.326 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.420 -9.543 7.458 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.598 -9.464 5.716 1.00 0.00 H new ATOM 299 N ASP A 22 -7.693 -5.416 8.110 1.00 0.00 N ATOM 300 CA ASP A 22 -7.412 -4.655 9.347 1.00 0.00 C ATOM 301 C ASP A 22 -5.965 -4.844 9.869 1.00 0.00 C ATOM 302 O ASP A 22 -5.589 -4.216 10.859 1.00 0.00 O ATOM 303 CB ASP A 22 -8.420 -5.071 10.440 1.00 0.00 C ATOM 304 CG ASP A 22 -7.979 -4.768 11.868 1.00 0.00 C ATOM 305 OD1 ASP A 22 -7.964 -3.580 12.251 1.00 0.00 O ATOM 306 OD2 ASP A 22 -7.648 -5.724 12.600 1.00 0.00 O ATOM 0 H ASP A 22 -6.860 -5.729 7.612 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.518 -3.598 9.104 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.367 -4.565 10.252 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.608 -6.141 10.352 1.00 0.00 H new ATOM 311 N THR A 23 -5.148 -5.677 9.221 1.00 0.00 N ATOM 312 CA THR A 23 -3.793 -5.927 9.718 1.00 0.00 C ATOM 313 C THR A 23 -2.681 -5.230 8.928 1.00 0.00 C ATOM 314 O THR A 23 -1.719 -4.774 9.535 1.00 0.00 O ATOM 315 CB THR A 23 -3.494 -7.431 9.721 1.00 0.00 C ATOM 316 OG1 THR A 23 -2.149 -7.665 10.158 1.00 0.00 O ATOM 317 CG2 THR A 23 -3.692 -8.012 8.332 1.00 0.00 C ATOM 0 H THR A 23 -5.393 -6.181 8.369 1.00 0.00 H new ATOM 0 HA THR A 23 -3.788 -5.508 10.724 1.00 0.00 H new ATOM 0 HB THR A 23 -4.183 -7.920 10.409 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.150 -8.332 10.876 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.476 -9.080 8.350 1.00 0.00 H new ATOM 0 HG22 THR A 23 -4.723 -7.856 8.016 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.019 -7.518 7.631 1.00 0.00 H new ATOM 325 N PHE A 24 -2.835 -5.138 7.594 1.00 0.00 N ATOM 326 CA PHE A 24 -1.819 -4.542 6.691 1.00 0.00 C ATOM 327 C PHE A 24 -1.701 -5.380 5.429 1.00 0.00 C ATOM 328 O PHE A 24 -0.766 -6.164 5.286 1.00 0.00 O ATOM 329 CB PHE A 24 -0.414 -4.458 7.321 1.00 0.00 C ATOM 330 CG PHE A 24 -0.149 -3.196 8.101 1.00 0.00 C ATOM 331 CD1 PHE A 24 -0.484 -1.958 7.582 1.00 0.00 C ATOM 332 CD2 PHE A 24 0.441 -3.253 9.355 1.00 0.00 C ATOM 333 CE1 PHE A 24 -0.240 -0.800 8.296 1.00 0.00 C ATOM 334 CE2 PHE A 24 0.688 -2.098 10.074 1.00 0.00 C ATOM 335 CZ PHE A 24 0.347 -0.870 9.543 1.00 0.00 C ATOM 0 H PHE A 24 -3.666 -5.473 7.107 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.162 -3.529 6.481 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.275 -5.314 7.982 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.330 -4.543 6.529 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -0.942 -1.896 6.606 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.711 -4.211 9.775 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -0.509 0.159 7.878 1.00 0.00 H new ATOM 0 HE2 PHE A 24 1.147 -2.156 11.050 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.539 0.034 10.102 1.00 0.00 H new ATOM 345 N GLU A 25 -2.643 -5.227 4.519 1.00 0.00 N ATOM 346 CA GLU A 25 -2.604 -5.998 3.286 1.00 0.00 C ATOM 347 C GLU A 25 -1.462 -5.551 2.373 1.00 0.00 C ATOM 348 O GLU A 25 -0.751 -6.387 1.816 1.00 0.00 O ATOM 349 CB GLU A 25 -3.932 -5.889 2.536 1.00 0.00 C ATOM 350 CG GLU A 25 -5.158 -6.065 3.410 1.00 0.00 C ATOM 351 CD GLU A 25 -5.246 -7.446 4.018 1.00 0.00 C ATOM 352 OE1 GLU A 25 -4.357 -7.796 4.822 1.00 0.00 O ATOM 353 OE2 GLU A 25 -6.202 -8.179 3.691 1.00 0.00 O ATOM 0 H GLU A 25 -3.433 -4.588 4.604 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.431 -7.037 3.565 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -3.983 -4.914 2.051 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.952 -6.640 1.746 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.141 -5.322 4.207 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.053 -5.876 2.817 1.00 0.00 H new ATOM 360 N PRO A 26 -1.262 -4.234 2.201 1.00 0.00 N ATOM 361 CA PRO A 26 -0.213 -3.705 1.342 1.00 0.00 C ATOM 362 C PRO A 26 1.096 -3.354 2.065 1.00 0.00 C ATOM 363 O PRO A 26 2.171 -3.805 1.675 1.00 0.00 O ATOM 364 CB PRO A 26 -0.858 -2.437 0.790 1.00 0.00 C ATOM 365 CG PRO A 26 -1.886 -2.023 1.793 1.00 0.00 C ATOM 366 CD PRO A 26 -2.057 -3.154 2.782 1.00 0.00 C ATOM 0 HA PRO A 26 0.096 -4.443 0.601 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.115 -1.652 0.647 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -1.315 -2.624 -0.182 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.574 -1.113 2.305 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -2.832 -1.802 1.300 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.697 -2.879 3.773 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -3.104 -3.439 2.890 1.00 0.00 H new ATOM 374 N GLN A 27 0.997 -2.543 3.111 1.00 0.00 N ATOM 375 CA GLN A 27 2.152 -2.081 3.862 1.00 0.00 C ATOM 376 C GLN A 27 3.066 -3.201 4.365 1.00 0.00 C ATOM 377 O GLN A 27 4.287 -3.045 4.385 1.00 0.00 O ATOM 378 CB GLN A 27 1.654 -1.280 5.049 1.00 0.00 C ATOM 379 CG GLN A 27 2.497 -0.070 5.357 1.00 0.00 C ATOM 380 CD GLN A 27 2.281 0.433 6.767 1.00 0.00 C ATOM 381 OE1 GLN A 27 1.259 1.258 6.945 1.00 0.00 O flip ATOM 382 NE2 GLN A 27 3.014 0.072 7.688 1.00 0.00 N flip ATOM 0 H GLN A 27 0.108 -2.187 3.462 1.00 0.00 H new ATOM 0 HA GLN A 27 2.756 -1.483 3.180 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.630 -0.960 4.856 1.00 0.00 H new ATOM 0 HB3 GLN A 27 1.626 -1.926 5.927 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.549 -0.318 5.219 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.261 0.725 4.649 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.789 -0.565 7.503 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.846 0.410 8.636 1.00 0.00 H new ATOM 391 N LYS A 28 2.485 -4.321 4.770 1.00 0.00 N ATOM 392 CA LYS A 28 3.262 -5.425 5.299 1.00 0.00 C ATOM 393 C LYS A 28 3.998 -6.129 4.180 1.00 0.00 C ATOM 394 O LYS A 28 5.150 -6.539 4.321 1.00 0.00 O ATOM 395 CB LYS A 28 2.347 -6.388 6.022 1.00 0.00 C ATOM 396 CG LYS A 28 2.274 -6.144 7.512 1.00 0.00 C ATOM 397 CD LYS A 28 3.363 -6.900 8.255 1.00 0.00 C ATOM 398 CE LYS A 28 3.518 -6.399 9.682 1.00 0.00 C ATOM 399 NZ LYS A 28 4.544 -7.173 10.434 1.00 0.00 N ATOM 0 H LYS A 28 1.479 -4.486 4.741 1.00 0.00 H new ATOM 0 HA LYS A 28 3.999 -5.041 6.004 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.345 -6.312 5.600 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.691 -7.407 5.845 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.370 -5.077 7.712 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.297 -6.452 7.885 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.126 -7.964 8.266 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.309 -6.790 7.725 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.796 -5.345 9.669 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.560 -6.469 10.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.619 -6.800 11.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.266 -8.175 10.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.464 -7.085 9.957 1.00 0.00 H new ATOM 413 N PHE A 29 3.305 -6.261 3.068 1.00 0.00 N ATOM 414 CA PHE A 29 3.846 -6.887 1.884 1.00 0.00 C ATOM 415 C PHE A 29 5.159 -6.224 1.497 1.00 0.00 C ATOM 416 O PHE A 29 6.162 -6.890 1.235 1.00 0.00 O ATOM 417 CB PHE A 29 2.817 -6.738 0.756 1.00 0.00 C ATOM 418 CG PHE A 29 3.285 -7.150 -0.618 1.00 0.00 C ATOM 419 CD1 PHE A 29 4.309 -6.472 -1.260 1.00 0.00 C ATOM 420 CD2 PHE A 29 2.684 -8.210 -1.273 1.00 0.00 C ATOM 421 CE1 PHE A 29 4.726 -6.849 -2.519 1.00 0.00 C ATOM 422 CE2 PHE A 29 3.097 -8.589 -2.532 1.00 0.00 C ATOM 423 CZ PHE A 29 4.121 -7.911 -3.154 1.00 0.00 C ATOM 0 H PHE A 29 2.345 -5.934 2.962 1.00 0.00 H new ATOM 0 HA PHE A 29 4.045 -7.943 2.070 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.937 -7.329 1.012 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.500 -5.696 0.714 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.787 -5.638 -0.768 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.881 -8.748 -0.791 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.526 -6.312 -3.007 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.617 -9.418 -3.031 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.449 -8.211 -4.138 1.00 0.00 H new ATOM 433 N PHE A 30 5.131 -4.899 1.470 1.00 0.00 N ATOM 434 CA PHE A 30 6.274 -4.109 1.073 1.00 0.00 C ATOM 435 C PHE A 30 7.424 -4.204 2.068 1.00 0.00 C ATOM 436 O PHE A 30 8.513 -4.661 1.736 1.00 0.00 O ATOM 437 CB PHE A 30 5.857 -2.646 0.939 1.00 0.00 C ATOM 438 CG PHE A 30 4.478 -2.436 0.387 1.00 0.00 C ATOM 439 CD1 PHE A 30 4.037 -3.153 -0.709 1.00 0.00 C ATOM 440 CD2 PHE A 30 3.630 -1.503 0.961 1.00 0.00 C ATOM 441 CE1 PHE A 30 2.769 -2.945 -1.223 1.00 0.00 C ATOM 442 CE2 PHE A 30 2.364 -1.290 0.454 1.00 0.00 C ATOM 443 CZ PHE A 30 1.932 -2.012 -0.639 1.00 0.00 C ATOM 0 H PHE A 30 4.312 -4.347 1.724 1.00 0.00 H new ATOM 0 HA PHE A 30 6.625 -4.505 0.120 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.917 -2.174 1.920 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.573 -2.136 0.295 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.688 -3.882 -1.169 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.964 -0.935 1.817 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.433 -3.511 -2.080 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.713 -0.560 0.912 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.942 -1.849 -1.038 1.00 0.00 H new ATOM 453 N GLN A 31 7.143 -3.817 3.306 1.00 0.00 N ATOM 454 CA GLN A 31 8.138 -3.767 4.358 1.00 0.00 C ATOM 455 C GLN A 31 8.786 -5.089 4.692 1.00 0.00 C ATOM 456 O GLN A 31 9.980 -5.272 4.458 1.00 0.00 O ATOM 457 CB GLN A 31 7.495 -3.187 5.601 1.00 0.00 C ATOM 458 CG GLN A 31 6.992 -1.767 5.406 1.00 0.00 C ATOM 459 CD GLN A 31 8.010 -0.867 4.721 1.00 0.00 C ATOM 460 OE1 GLN A 31 7.641 0.062 4.004 1.00 0.00 O ATOM 461 NE2 GLN A 31 9.294 -1.128 4.945 1.00 0.00 N ATOM 0 H GLN A 31 6.212 -3.528 3.605 1.00 0.00 H new ATOM 0 HA GLN A 31 8.948 -3.141 3.983 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.662 -3.823 5.902 1.00 0.00 H new ATOM 0 HB3 GLN A 31 8.218 -3.201 6.417 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.077 -1.789 4.814 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.733 -1.342 6.376 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.558 -1.908 5.546 1.00 0.00 H new ATOM 0 HE22 GLN A 31 10.015 -0.548 4.516 1.00 0.00 H new ATOM 470 N THR A 32 8.017 -6.007 5.232 1.00 0.00 N ATOM 471 CA THR A 32 8.559 -7.295 5.635 1.00 0.00 C ATOM 472 C THR A 32 9.486 -7.882 4.567 1.00 0.00 C ATOM 473 O THR A 32 10.631 -8.232 4.852 1.00 0.00 O ATOM 474 CB THR A 32 7.430 -8.294 5.960 1.00 0.00 C ATOM 475 OG1 THR A 32 6.676 -7.825 7.084 1.00 0.00 O ATOM 476 CG2 THR A 32 7.981 -9.682 6.263 1.00 0.00 C ATOM 0 H THR A 32 7.018 -5.892 5.404 1.00 0.00 H new ATOM 0 HA THR A 32 9.148 -7.123 6.536 1.00 0.00 H new ATOM 0 HB THR A 32 6.786 -8.367 5.083 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.959 -8.462 7.286 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.157 -10.359 6.488 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.530 -10.053 5.397 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.651 -9.628 7.121 1.00 0.00 H new ATOM 484 N SER A 33 8.985 -7.984 3.345 1.00 0.00 N ATOM 485 CA SER A 33 9.764 -8.541 2.246 1.00 0.00 C ATOM 486 C SER A 33 10.714 -7.535 1.585 1.00 0.00 C ATOM 487 O SER A 33 11.929 -7.734 1.575 1.00 0.00 O ATOM 488 CB SER A 33 8.841 -9.163 1.198 1.00 0.00 C ATOM 489 OG SER A 33 9.590 -9.793 0.173 1.00 0.00 O ATOM 0 H SER A 33 8.043 -7.689 3.088 1.00 0.00 H new ATOM 0 HA SER A 33 10.396 -9.311 2.688 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.184 -9.891 1.673 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.203 -8.392 0.766 1.00 0.00 H new ATOM 0 HG SER A 33 9.935 -9.115 -0.445 1.00 0.00 H new ATOM 495 N GLY A 34 10.155 -6.456 1.037 1.00 0.00 N ATOM 496 CA GLY A 34 10.990 -5.527 0.290 1.00 0.00 C ATOM 497 C GLY A 34 11.452 -4.236 0.962 1.00 0.00 C ATOM 498 O GLY A 34 12.620 -4.103 1.320 1.00 0.00 O ATOM 0 H GLY A 34 9.166 -6.212 1.094 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.881 -6.069 -0.027 1.00 0.00 H new ATOM 0 HA3 GLY A 34 10.446 -5.250 -0.613 1.00 0.00 H new ATOM 502 N LEU A 35 10.527 -3.321 1.209 1.00 0.00 N ATOM 503 CA LEU A 35 10.854 -2.005 1.713 1.00 0.00 C ATOM 504 C LEU A 35 11.800 -2.032 2.906 1.00 0.00 C ATOM 505 O LEU A 35 12.673 -1.172 3.020 1.00 0.00 O ATOM 506 CB LEU A 35 9.553 -1.286 2.033 1.00 0.00 C ATOM 507 CG LEU A 35 8.712 -0.936 0.815 1.00 0.00 C ATOM 508 CD1 LEU A 35 7.488 -0.143 1.230 1.00 0.00 C ATOM 509 CD2 LEU A 35 9.525 -0.172 -0.213 1.00 0.00 C ATOM 0 H LEU A 35 9.529 -3.475 1.064 1.00 0.00 H new ATOM 0 HA LEU A 35 11.403 -1.463 0.943 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.961 -1.912 2.700 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.783 -0.369 2.576 1.00 0.00 H new ATOM 0 HG LEU A 35 8.383 -1.866 0.352 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.896 0.100 0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.886 -0.736 1.919 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.801 0.778 1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.896 0.064 -1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.896 0.752 0.230 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.368 -0.782 -0.537 1.00 0.00 H new ATOM 521 N SER A 36 11.626 -3.000 3.797 1.00 0.00 N ATOM 522 CA SER A 36 12.495 -3.130 4.971 1.00 0.00 C ATOM 523 C SER A 36 13.965 -2.803 4.666 1.00 0.00 C ATOM 524 O SER A 36 14.702 -2.387 5.560 1.00 0.00 O ATOM 525 CB SER A 36 12.394 -4.542 5.548 1.00 0.00 C ATOM 526 OG SER A 36 12.595 -5.521 4.544 1.00 0.00 O ATOM 0 H SER A 36 10.894 -3.708 3.734 1.00 0.00 H new ATOM 0 HA SER A 36 12.145 -2.400 5.701 1.00 0.00 H new ATOM 0 HB2 SER A 36 13.135 -4.669 6.337 1.00 0.00 H new ATOM 0 HB3 SER A 36 11.414 -4.682 6.005 1.00 0.00 H new ATOM 0 HG SER A 36 11.731 -5.778 4.160 1.00 0.00 H new ATOM 532 N LYS A 37 14.398 -2.989 3.415 1.00 0.00 N ATOM 533 CA LYS A 37 15.792 -2.702 3.064 1.00 0.00 C ATOM 534 C LYS A 37 15.964 -2.056 1.679 1.00 0.00 C ATOM 535 O LYS A 37 16.928 -1.323 1.460 1.00 0.00 O ATOM 536 CB LYS A 37 16.615 -3.988 3.128 1.00 0.00 C ATOM 537 CG LYS A 37 16.530 -4.694 4.466 1.00 0.00 C ATOM 538 CD LYS A 37 17.344 -5.977 4.473 1.00 0.00 C ATOM 539 CE LYS A 37 17.276 -6.673 5.822 1.00 0.00 C ATOM 540 NZ LYS A 37 18.210 -7.829 5.899 1.00 0.00 N ATOM 0 H LYS A 37 13.820 -3.328 2.646 1.00 0.00 H new ATOM 0 HA LYS A 37 16.146 -1.974 3.794 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.275 -4.667 2.346 1.00 0.00 H new ATOM 0 HB3 LYS A 37 17.658 -3.753 2.916 1.00 0.00 H new ATOM 0 HG2 LYS A 37 16.889 -4.030 5.252 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.488 -4.922 4.693 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.974 -6.648 3.697 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.383 -5.751 4.231 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.516 -5.960 6.611 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.257 -7.017 6.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.133 -8.276 6.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.966 -8.522 5.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 19.185 -7.498 5.753 1.00 0.00 H new ATOM 554 N MET A 38 15.047 -2.317 0.749 1.00 0.00 N ATOM 555 CA MET A 38 15.162 -1.774 -0.604 1.00 0.00 C ATOM 556 C MET A 38 15.317 -0.260 -0.640 1.00 0.00 C ATOM 557 O MET A 38 14.991 0.445 0.314 1.00 0.00 O ATOM 558 CB MET A 38 13.952 -2.150 -1.435 1.00 0.00 C ATOM 559 CG MET A 38 13.709 -3.640 -1.503 1.00 0.00 C ATOM 560 SD MET A 38 15.054 -4.537 -2.299 1.00 0.00 S ATOM 561 CE MET A 38 14.597 -6.225 -1.914 1.00 0.00 C ATOM 0 H MET A 38 14.222 -2.896 0.905 1.00 0.00 H new ATOM 0 HA MET A 38 16.070 -2.213 -1.017 1.00 0.00 H new ATOM 0 HB2 MET A 38 13.070 -1.664 -1.019 1.00 0.00 H new ATOM 0 HB3 MET A 38 14.081 -1.764 -2.446 1.00 0.00 H new ATOM 0 HG2 MET A 38 13.569 -4.026 -0.493 1.00 0.00 H new ATOM 0 HG3 MET A 38 12.783 -3.827 -2.047 1.00 0.00 H new ATOM 0 HE1 MET A 38 15.238 -6.911 -2.468 1.00 0.00 H new ATOM 0 HE2 MET A 38 14.718 -6.400 -0.845 1.00 0.00 H new ATOM 0 HE3 MET A 38 13.557 -6.393 -2.194 1.00 0.00 H new ATOM 571 N SER A 39 15.824 0.217 -1.777 1.00 0.00 N ATOM 572 CA SER A 39 16.031 1.636 -2.011 1.00 0.00 C ATOM 573 C SER A 39 14.723 2.358 -2.307 1.00 0.00 C ATOM 574 O SER A 39 13.676 1.736 -2.485 1.00 0.00 O ATOM 575 CB SER A 39 16.989 1.842 -3.180 1.00 0.00 C ATOM 576 OG SER A 39 16.972 3.188 -3.623 1.00 0.00 O ATOM 0 H SER A 39 16.101 -0.375 -2.560 1.00 0.00 H new ATOM 0 HA SER A 39 16.457 2.055 -1.099 1.00 0.00 H new ATOM 0 HB2 SER A 39 18.000 1.568 -2.878 1.00 0.00 H new ATOM 0 HB3 SER A 39 16.712 1.182 -4.002 1.00 0.00 H new ATOM 0 HG SER A 39 17.596 3.294 -4.372 1.00 0.00 H new ATOM 582 N ALA A 40 14.806 3.678 -2.361 1.00 0.00 N ATOM 583 CA ALA A 40 13.648 4.518 -2.647 1.00 0.00 C ATOM 584 C ALA A 40 13.088 4.263 -4.051 1.00 0.00 C ATOM 585 O ALA A 40 11.887 4.083 -4.228 1.00 0.00 O ATOM 586 CB ALA A 40 14.008 5.988 -2.483 1.00 0.00 C ATOM 0 H ALA A 40 15.671 4.197 -2.209 1.00 0.00 H new ATOM 0 HA ALA A 40 12.870 4.256 -1.930 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.134 6.603 -2.700 1.00 0.00 H new ATOM 0 HB2 ALA A 40 14.335 6.170 -1.459 1.00 0.00 H new ATOM 0 HB3 ALA A 40 14.812 6.245 -3.172 1.00 0.00 H new ATOM 592 N SER A 41 13.979 4.212 -5.039 1.00 0.00 N ATOM 593 CA SER A 41 13.588 4.047 -6.441 1.00 0.00 C ATOM 594 C SER A 41 12.538 2.965 -6.647 1.00 0.00 C ATOM 595 O SER A 41 11.506 3.217 -7.263 1.00 0.00 O ATOM 596 CB SER A 41 14.818 3.730 -7.293 1.00 0.00 C ATOM 597 OG SER A 41 15.469 2.557 -6.836 1.00 0.00 O ATOM 0 H SER A 41 14.986 4.283 -4.894 1.00 0.00 H new ATOM 0 HA SER A 41 13.141 4.992 -6.751 1.00 0.00 H new ATOM 0 HB2 SER A 41 14.520 3.602 -8.334 1.00 0.00 H new ATOM 0 HB3 SER A 41 15.512 4.570 -7.262 1.00 0.00 H new ATOM 0 HG SER A 41 16.251 2.376 -7.399 1.00 0.00 H new ATOM 603 N GLN A 42 12.786 1.765 -6.151 1.00 0.00 N ATOM 604 CA GLN A 42 11.819 0.690 -6.341 1.00 0.00 C ATOM 605 C GLN A 42 10.527 0.979 -5.592 1.00 0.00 C ATOM 606 O GLN A 42 9.450 0.553 -6.003 1.00 0.00 O ATOM 607 CB GLN A 42 12.375 -0.660 -5.933 1.00 0.00 C ATOM 608 CG GLN A 42 12.517 -0.836 -4.450 1.00 0.00 C ATOM 609 CD GLN A 42 12.473 -2.298 -4.051 1.00 0.00 C ATOM 610 OE1 GLN A 42 13.480 -3.003 -4.115 1.00 0.00 O ATOM 611 NE2 GLN A 42 11.303 -2.758 -3.626 1.00 0.00 N ATOM 0 H GLN A 42 13.624 1.511 -5.627 1.00 0.00 H new ATOM 0 HA GLN A 42 11.603 0.646 -7.408 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.723 -1.443 -6.321 1.00 0.00 H new ATOM 0 HB3 GLN A 42 13.350 -0.797 -6.400 1.00 0.00 H new ATOM 0 HG2 GLN A 42 13.459 -0.397 -4.120 1.00 0.00 H new ATOM 0 HG3 GLN A 42 11.718 -0.296 -3.942 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.494 -2.138 -3.589 1.00 0.00 H new ATOM 0 HE22 GLN A 42 11.213 -3.732 -3.336 1.00 0.00 H new ATOM 620 N VAL A 43 10.643 1.731 -4.508 1.00 0.00 N ATOM 621 CA VAL A 43 9.472 2.073 -3.718 1.00 0.00 C ATOM 622 C VAL A 43 8.475 2.822 -4.596 1.00 0.00 C ATOM 623 O VAL A 43 7.266 2.648 -4.465 1.00 0.00 O ATOM 624 CB VAL A 43 9.823 2.920 -2.486 1.00 0.00 C ATOM 625 CG1 VAL A 43 8.579 3.264 -1.691 1.00 0.00 C ATOM 626 CG2 VAL A 43 10.834 2.195 -1.612 1.00 0.00 C ATOM 0 H VAL A 43 11.523 2.111 -4.159 1.00 0.00 H new ATOM 0 HA VAL A 43 9.034 1.144 -3.353 1.00 0.00 H new ATOM 0 HB VAL A 43 10.270 3.852 -2.832 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.856 3.864 -0.824 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.891 3.830 -2.319 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.095 2.346 -1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 43 11.071 2.810 -0.744 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.414 1.245 -1.281 1.00 0.00 H new ATOM 0 HG23 VAL A 43 11.743 2.009 -2.184 1.00 0.00 H new ATOM 636 N LYS A 44 8.996 3.662 -5.496 1.00 0.00 N ATOM 637 CA LYS A 44 8.148 4.392 -6.436 1.00 0.00 C ATOM 638 C LYS A 44 7.255 3.396 -7.158 1.00 0.00 C ATOM 639 O LYS A 44 6.046 3.592 -7.290 1.00 0.00 O ATOM 640 CB LYS A 44 9.002 5.139 -7.458 1.00 0.00 C ATOM 641 CG LYS A 44 9.032 6.646 -7.283 1.00 0.00 C ATOM 642 CD LYS A 44 10.399 7.194 -7.630 1.00 0.00 C ATOM 643 CE LYS A 44 11.420 6.810 -6.593 1.00 0.00 C ATOM 644 NZ LYS A 44 11.497 7.808 -5.489 1.00 0.00 N ATOM 0 H LYS A 44 9.994 3.851 -5.591 1.00 0.00 H new ATOM 0 HA LYS A 44 7.546 5.118 -5.890 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.023 4.761 -7.403 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.631 4.911 -8.457 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.277 7.107 -7.920 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.781 6.903 -6.254 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.708 6.817 -8.605 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.349 8.280 -7.710 1.00 0.00 H new ATOM 0 HE2 LYS A 44 11.169 5.833 -6.181 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.398 6.715 -7.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.458 7.812 -5.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.272 8.753 -5.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.815 7.556 -4.745 1.00 0.00 H new ATOM 658 N ASP A 45 7.881 2.320 -7.620 1.00 0.00 N ATOM 659 CA ASP A 45 7.177 1.254 -8.308 1.00 0.00 C ATOM 660 C ASP A 45 6.186 0.611 -7.352 1.00 0.00 C ATOM 661 O ASP A 45 5.011 0.443 -7.672 1.00 0.00 O ATOM 662 CB ASP A 45 8.171 0.212 -8.813 1.00 0.00 C ATOM 663 CG ASP A 45 8.268 0.184 -10.325 1.00 0.00 C ATOM 664 OD1 ASP A 45 8.958 1.057 -10.892 1.00 0.00 O ATOM 665 OD2 ASP A 45 7.654 -0.711 -10.943 1.00 0.00 O ATOM 0 H ASP A 45 8.885 2.166 -7.527 1.00 0.00 H new ATOM 0 HA ASP A 45 6.641 1.665 -9.163 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.155 0.421 -8.393 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.873 -0.773 -8.453 1.00 0.00 H new ATOM 670 N ILE A 46 6.680 0.250 -6.171 1.00 0.00 N ATOM 671 CA ILE A 46 5.848 -0.341 -5.134 1.00 0.00 C ATOM 672 C ILE A 46 4.598 0.525 -4.930 1.00 0.00 C ATOM 673 O ILE A 46 3.471 0.038 -5.011 1.00 0.00 O ATOM 674 CB ILE A 46 6.681 -0.499 -3.835 1.00 0.00 C ATOM 675 CG1 ILE A 46 7.469 -1.811 -3.876 1.00 0.00 C ATOM 676 CG2 ILE A 46 5.827 -0.427 -2.579 1.00 0.00 C ATOM 677 CD1 ILE A 46 8.167 -2.079 -5.196 1.00 0.00 C ATOM 0 H ILE A 46 7.660 0.359 -5.910 1.00 0.00 H new ATOM 0 HA ILE A 46 5.511 -1.335 -5.429 1.00 0.00 H new ATOM 0 HB ILE A 46 7.374 0.341 -3.790 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.214 -1.799 -3.080 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.789 -2.636 -3.664 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.462 -0.544 -1.700 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.323 0.538 -2.537 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.084 -1.224 -2.598 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.701 -3.027 -5.139 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.428 -2.126 -5.996 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.874 -1.276 -5.403 1.00 0.00 H new ATOM 689 N PHE A 47 4.819 1.810 -4.657 1.00 0.00 N ATOM 690 CA PHE A 47 3.733 2.783 -4.489 1.00 0.00 C ATOM 691 C PHE A 47 2.611 2.532 -5.496 1.00 0.00 C ATOM 692 O PHE A 47 1.425 2.582 -5.169 1.00 0.00 O ATOM 693 CB PHE A 47 4.309 4.199 -4.691 1.00 0.00 C ATOM 694 CG PHE A 47 3.345 5.207 -5.277 1.00 0.00 C ATOM 695 CD1 PHE A 47 2.375 5.810 -4.494 1.00 0.00 C ATOM 696 CD2 PHE A 47 3.410 5.528 -6.622 1.00 0.00 C ATOM 697 CE1 PHE A 47 1.487 6.716 -5.046 1.00 0.00 C ATOM 698 CE2 PHE A 47 2.530 6.435 -7.178 1.00 0.00 C ATOM 699 CZ PHE A 47 1.566 7.029 -6.389 1.00 0.00 C ATOM 0 H PHE A 47 5.751 2.208 -4.546 1.00 0.00 H new ATOM 0 HA PHE A 47 3.313 2.682 -3.488 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.660 4.572 -3.729 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.180 4.131 -5.343 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.311 5.571 -3.443 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.159 5.063 -7.245 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.732 7.178 -4.427 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.596 6.679 -8.228 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.875 7.737 -6.821 1.00 0.00 H new ATOM 709 N ARG A 48 3.022 2.266 -6.719 1.00 0.00 N ATOM 710 CA ARG A 48 2.088 2.036 -7.812 1.00 0.00 C ATOM 711 C ARG A 48 1.046 0.986 -7.444 1.00 0.00 C ATOM 712 O ARG A 48 -0.043 0.964 -8.019 1.00 0.00 O ATOM 713 CB ARG A 48 2.834 1.627 -9.078 1.00 0.00 C ATOM 714 CG ARG A 48 3.942 2.595 -9.448 1.00 0.00 C ATOM 715 CD ARG A 48 3.419 4.020 -9.570 1.00 0.00 C ATOM 716 NE ARG A 48 2.469 4.161 -10.670 1.00 0.00 N ATOM 717 CZ ARG A 48 2.199 5.319 -11.270 1.00 0.00 C ATOM 718 NH1 ARG A 48 2.803 6.433 -10.875 1.00 0.00 N ATOM 719 NH2 ARG A 48 1.323 5.363 -12.265 1.00 0.00 N ATOM 0 H ARG A 48 4.004 2.203 -6.986 1.00 0.00 H new ATOM 0 HA ARG A 48 1.564 2.973 -8.002 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.258 0.633 -8.939 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.127 1.559 -9.905 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.727 2.558 -8.693 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.393 2.290 -10.392 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.938 4.311 -8.636 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.256 4.702 -9.724 1.00 0.00 H new ATOM 0 HE ARG A 48 1.985 3.325 -10.997 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.477 6.404 -10.110 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.594 7.318 -11.337 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.856 4.510 -12.571 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.117 6.250 -12.724 1.00 0.00 H new ATOM 733 N PHE A 49 1.369 0.111 -6.491 1.00 0.00 N ATOM 734 CA PHE A 49 0.415 -0.905 -6.058 1.00 0.00 C ATOM 735 C PHE A 49 -0.882 -0.224 -5.645 1.00 0.00 C ATOM 736 O PHE A 49 -1.941 -0.477 -6.216 1.00 0.00 O ATOM 737 CB PHE A 49 0.978 -1.735 -4.896 1.00 0.00 C ATOM 738 CG PHE A 49 0.049 -2.823 -4.431 1.00 0.00 C ATOM 739 CD1 PHE A 49 -0.245 -3.889 -5.261 1.00 0.00 C ATOM 740 CD2 PHE A 49 -0.528 -2.786 -3.167 1.00 0.00 C ATOM 741 CE1 PHE A 49 -1.093 -4.900 -4.846 1.00 0.00 C ATOM 742 CE2 PHE A 49 -1.374 -3.794 -2.747 1.00 0.00 C ATOM 743 CZ PHE A 49 -1.657 -4.852 -3.587 1.00 0.00 C ATOM 0 H PHE A 49 2.269 0.086 -6.012 1.00 0.00 H new ATOM 0 HA PHE A 49 0.224 -1.587 -6.886 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.923 -2.182 -5.204 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.196 -1.072 -4.059 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.194 -3.933 -6.247 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.312 -1.960 -2.506 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.314 -5.726 -5.506 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.814 -3.754 -1.761 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.318 -5.641 -3.260 1.00 0.00 H new ATOM 753 N ILE A 50 -0.785 0.652 -4.653 1.00 0.00 N ATOM 754 CA ILE A 50 -1.936 1.401 -4.184 1.00 0.00 C ATOM 755 C ILE A 50 -2.166 2.640 -5.035 1.00 0.00 C ATOM 756 O ILE A 50 -1.219 3.325 -5.392 1.00 0.00 O ATOM 757 CB ILE A 50 -1.774 1.845 -2.721 1.00 0.00 C ATOM 758 CG1 ILE A 50 -0.417 2.519 -2.500 1.00 0.00 C ATOM 759 CG2 ILE A 50 -1.945 0.661 -1.794 1.00 0.00 C ATOM 760 CD1 ILE A 50 -0.284 3.174 -1.141 1.00 0.00 C ATOM 0 H ILE A 50 0.083 0.859 -4.159 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.791 0.729 -4.263 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.549 2.577 -2.495 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.372 1.776 -2.616 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.263 3.271 -3.274 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.828 0.988 -0.761 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.939 0.234 -1.929 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.192 -0.093 -2.024 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.701 3.632 -1.053 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.051 3.940 -1.030 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.406 2.422 -0.361 1.00 0.00 H new ATOM 772 N ASP A 51 -3.439 2.874 -5.348 1.00 0.00 N ATOM 773 CA ASP A 51 -3.920 4.026 -6.135 1.00 0.00 C ATOM 774 C ASP A 51 -2.844 4.751 -6.980 1.00 0.00 C ATOM 775 O ASP A 51 -1.805 5.185 -6.493 1.00 0.00 O ATOM 776 CB ASP A 51 -4.638 4.990 -5.191 1.00 0.00 C ATOM 777 CG ASP A 51 -5.896 4.369 -4.618 1.00 0.00 C ATOM 778 OD1 ASP A 51 -5.784 3.587 -3.651 1.00 0.00 O ATOM 779 OD2 ASP A 51 -6.993 4.662 -5.138 1.00 0.00 O ATOM 0 H ASP A 51 -4.193 2.253 -5.056 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.604 3.631 -6.886 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.968 5.273 -4.379 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.893 5.904 -5.727 1.00 0.00 H new ATOM 784 N ASN A 52 -3.170 4.948 -8.256 1.00 0.00 N ATOM 785 CA ASN A 52 -2.259 5.579 -9.217 1.00 0.00 C ATOM 786 C ASN A 52 -2.368 7.110 -9.241 1.00 0.00 C ATOM 787 O ASN A 52 -2.389 7.712 -10.314 1.00 0.00 O ATOM 788 CB ASN A 52 -2.523 5.031 -10.621 1.00 0.00 C ATOM 789 CG ASN A 52 -3.937 5.308 -11.093 1.00 0.00 C ATOM 790 OD1 ASN A 52 -4.871 5.369 -10.293 1.00 0.00 O ATOM 791 ND2 ASN A 52 -4.103 5.479 -12.400 1.00 0.00 N ATOM 0 H ASN A 52 -4.069 4.677 -8.655 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.248 5.335 -8.892 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.816 5.476 -11.321 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.345 3.956 -10.628 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -5.032 5.669 -12.776 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.301 5.420 -13.028 1.00 0.00 H new ATOM 798 N ASP A 53 -2.440 7.736 -8.070 1.00 0.00 N ATOM 799 CA ASP A 53 -2.537 9.196 -7.993 1.00 0.00 C ATOM 800 C ASP A 53 -3.838 9.684 -8.624 1.00 0.00 C ATOM 801 O ASP A 53 -3.844 10.578 -9.470 1.00 0.00 O ATOM 802 CB ASP A 53 -1.340 9.842 -8.692 1.00 0.00 C ATOM 803 CG ASP A 53 -1.256 11.335 -8.442 1.00 0.00 C ATOM 804 OD1 ASP A 53 -1.983 12.094 -9.119 1.00 0.00 O ATOM 805 OD2 ASP A 53 -0.463 11.745 -7.569 1.00 0.00 O ATOM 0 H ASP A 53 -2.433 7.263 -7.166 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.533 9.485 -6.942 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.422 9.367 -8.346 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.408 9.660 -9.765 1.00 0.00 H new ATOM 810 N GLN A 54 -4.932 9.078 -8.196 1.00 0.00 N ATOM 811 CA GLN A 54 -6.259 9.417 -8.720 1.00 0.00 C ATOM 812 C GLN A 54 -6.520 10.921 -8.708 1.00 0.00 C ATOM 813 O GLN A 54 -7.253 11.425 -9.558 1.00 0.00 O ATOM 814 CB GLN A 54 -7.393 8.713 -7.958 1.00 0.00 C ATOM 815 CG GLN A 54 -6.959 7.598 -7.023 1.00 0.00 C ATOM 816 CD GLN A 54 -6.329 8.122 -5.750 1.00 0.00 C ATOM 817 OE1 GLN A 54 -5.735 9.200 -5.731 1.00 0.00 O ATOM 818 NE2 GLN A 54 -6.451 7.354 -4.679 1.00 0.00 N ATOM 0 H GLN A 54 -4.935 8.346 -7.486 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.254 9.063 -9.751 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.935 9.460 -7.378 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.095 8.302 -8.684 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.823 6.983 -6.771 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.247 6.953 -7.538 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.952 6.468 -4.741 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.044 7.648 -3.791 1.00 0.00 H new ATOM 827 N SER A 55 -5.936 11.644 -7.761 1.00 0.00 N ATOM 828 CA SER A 55 -6.149 13.086 -7.697 1.00 0.00 C ATOM 829 C SER A 55 -4.915 13.816 -7.179 1.00 0.00 C ATOM 830 O SER A 55 -5.029 14.808 -6.458 1.00 0.00 O ATOM 831 CB SER A 55 -7.350 13.402 -6.803 1.00 0.00 C ATOM 832 OG SER A 55 -7.621 14.793 -6.784 1.00 0.00 O ATOM 0 H SER A 55 -5.322 11.266 -7.039 1.00 0.00 H new ATOM 0 HA SER A 55 -6.345 13.435 -8.711 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.226 12.863 -7.162 1.00 0.00 H new ATOM 0 HB3 SER A 55 -7.154 13.053 -5.789 1.00 0.00 H new ATOM 0 HG SER A 55 -6.801 15.283 -6.564 1.00 0.00 H new ATOM 838 N GLY A 56 -3.738 13.325 -7.547 1.00 0.00 N ATOM 839 CA GLY A 56 -2.509 13.966 -7.105 1.00 0.00 C ATOM 840 C GLY A 56 -1.907 13.265 -5.911 1.00 0.00 C ATOM 841 O GLY A 56 -0.698 13.310 -5.685 1.00 0.00 O ATOM 0 H GLY A 56 -3.610 12.503 -8.137 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.789 13.973 -7.923 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.713 15.006 -6.851 1.00 0.00 H new ATOM 845 N TYR A 57 -2.770 12.617 -5.152 1.00 0.00 N ATOM 846 CA TYR A 57 -2.373 11.889 -3.961 1.00 0.00 C ATOM 847 C TYR A 57 -3.447 10.873 -3.638 1.00 0.00 C ATOM 848 O TYR A 57 -4.553 10.933 -4.174 1.00 0.00 O ATOM 849 CB TYR A 57 -2.190 12.830 -2.754 1.00 0.00 C ATOM 850 CG TYR A 57 -2.393 14.287 -3.064 1.00 0.00 C ATOM 851 CD1 TYR A 57 -3.666 14.804 -3.056 1.00 0.00 C ATOM 852 CD2 TYR A 57 -1.335 15.130 -3.371 1.00 0.00 C ATOM 853 CE1 TYR A 57 -3.902 16.133 -3.346 1.00 0.00 C ATOM 854 CE2 TYR A 57 -1.553 16.463 -3.661 1.00 0.00 C ATOM 855 CZ TYR A 57 -2.841 16.961 -3.647 1.00 0.00 C ATOM 856 OH TYR A 57 -3.067 18.287 -3.937 1.00 0.00 O ATOM 0 H TYR A 57 -3.771 12.580 -5.345 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.417 11.402 -4.155 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.890 12.537 -1.971 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.186 12.693 -2.352 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -4.498 14.158 -2.818 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -0.328 14.739 -3.383 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.910 16.521 -3.337 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -0.722 17.111 -3.897 1.00 0.00 H new ATOM 0 HH TYR A 57 -2.214 18.731 -4.126 1.00 0.00 H new ATOM 866 N LEU A 58 -3.125 9.945 -2.768 1.00 0.00 N ATOM 867 CA LEU A 58 -4.085 8.940 -2.378 1.00 0.00 C ATOM 868 C LEU A 58 -4.644 9.312 -1.020 1.00 0.00 C ATOM 869 O LEU A 58 -3.943 9.915 -0.219 1.00 0.00 O ATOM 870 CB LEU A 58 -3.418 7.570 -2.357 1.00 0.00 C ATOM 871 CG LEU A 58 -2.446 7.336 -3.515 1.00 0.00 C ATOM 872 CD1 LEU A 58 -1.819 5.952 -3.422 1.00 0.00 C ATOM 873 CD2 LEU A 58 -3.144 7.535 -4.852 1.00 0.00 C ATOM 0 H LEU A 58 -2.212 9.865 -2.320 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.906 8.892 -3.094 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.881 7.452 -1.416 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.190 6.801 -2.382 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.644 8.071 -3.444 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.131 5.807 -4.255 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.274 5.862 -2.482 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.602 5.195 -3.462 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.435 7.364 -5.662 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.971 6.830 -4.939 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.527 8.554 -4.914 1.00 0.00 H new ATOM 885 N ASP A 59 -5.894 8.960 -0.753 1.00 0.00 N ATOM 886 CA ASP A 59 -6.504 9.323 0.517 1.00 0.00 C ATOM 887 C ASP A 59 -7.475 8.257 1.002 1.00 0.00 C ATOM 888 O ASP A 59 -7.980 7.456 0.218 1.00 0.00 O ATOM 889 CB ASP A 59 -7.216 10.669 0.393 1.00 0.00 C ATOM 890 CG ASP A 59 -7.752 11.166 1.721 1.00 0.00 C ATOM 891 OD1 ASP A 59 -8.879 10.773 2.091 1.00 0.00 O ATOM 892 OD2 ASP A 59 -7.046 11.948 2.391 1.00 0.00 O ATOM 0 H ASP A 59 -6.496 8.433 -1.386 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.707 9.403 1.256 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.524 11.406 -0.015 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.039 10.577 -0.316 1.00 0.00 H new ATOM 897 N GLY A 60 -7.735 8.265 2.297 1.00 0.00 N ATOM 898 CA GLY A 60 -8.591 7.257 2.906 1.00 0.00 C ATOM 899 C GLY A 60 -9.814 6.901 2.086 1.00 0.00 C ATOM 900 O GLY A 60 -10.273 5.758 2.111 1.00 0.00 O ATOM 0 H GLY A 60 -7.367 8.957 2.949 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.005 6.353 3.075 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.915 7.614 3.884 1.00 0.00 H new ATOM 904 N ASP A 61 -10.333 7.862 1.341 1.00 0.00 N ATOM 905 CA ASP A 61 -11.521 7.624 0.539 1.00 0.00 C ATOM 906 C ASP A 61 -11.171 6.813 -0.694 1.00 0.00 C ATOM 907 O ASP A 61 -11.826 5.824 -1.023 1.00 0.00 O ATOM 908 CB ASP A 61 -12.156 8.946 0.111 1.00 0.00 C ATOM 909 CG ASP A 61 -13.611 8.785 -0.282 1.00 0.00 C ATOM 910 OD1 ASP A 61 -13.872 8.334 -1.417 1.00 0.00 O ATOM 911 OD2 ASP A 61 -14.489 9.110 0.545 1.00 0.00 O ATOM 0 H ASP A 61 -9.954 8.807 1.275 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.233 7.067 1.148 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.080 9.664 0.927 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.598 9.359 -0.730 1.00 0.00 H new ATOM 916 N GLU A 62 -10.122 7.259 -1.369 1.00 0.00 N ATOM 917 CA GLU A 62 -9.666 6.639 -2.596 1.00 0.00 C ATOM 918 C GLU A 62 -8.851 5.374 -2.341 1.00 0.00 C ATOM 919 O GLU A 62 -8.833 4.464 -3.167 1.00 0.00 O ATOM 920 CB GLU A 62 -8.848 7.641 -3.389 1.00 0.00 C ATOM 921 CG GLU A 62 -9.529 8.985 -3.541 1.00 0.00 C ATOM 922 CD GLU A 62 -10.698 8.944 -4.504 1.00 0.00 C ATOM 923 OE1 GLU A 62 -10.458 8.927 -5.729 1.00 0.00 O ATOM 924 OE2 GLU A 62 -11.854 8.927 -4.031 1.00 0.00 O ATOM 0 H GLU A 62 -9.565 8.062 -1.078 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.545 6.338 -3.166 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.885 7.783 -2.898 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.644 7.231 -4.378 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -9.879 9.322 -2.565 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.802 9.718 -3.890 1.00 0.00 H new ATOM 931 N LEU A 63 -8.166 5.329 -1.202 1.00 0.00 N ATOM 932 CA LEU A 63 -7.326 4.182 -0.852 1.00 0.00 C ATOM 933 C LEU A 63 -8.039 2.861 -1.131 1.00 0.00 C ATOM 934 O LEU A 63 -7.447 1.937 -1.689 1.00 0.00 O ATOM 935 CB LEU A 63 -6.918 4.242 0.626 1.00 0.00 C ATOM 936 CG LEU A 63 -5.864 5.284 0.977 1.00 0.00 C ATOM 937 CD1 LEU A 63 -5.327 5.033 2.374 1.00 0.00 C ATOM 938 CD2 LEU A 63 -4.753 5.298 -0.059 1.00 0.00 C ATOM 0 H LEU A 63 -8.174 6.073 -0.504 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.433 4.231 -1.476 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.809 4.438 1.222 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.546 3.261 0.922 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.326 6.271 0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.574 5.784 2.615 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.143 5.094 3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.877 4.041 2.418 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.012 6.050 0.212 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.278 4.318 -0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.171 5.537 -1.037 1.00 0.00 H new ATOM 950 N LYS A 64 -9.307 2.775 -0.744 1.00 0.00 N ATOM 951 CA LYS A 64 -10.088 1.565 -0.962 1.00 0.00 C ATOM 952 C LYS A 64 -10.240 1.239 -2.446 1.00 0.00 C ATOM 953 O LYS A 64 -10.651 0.134 -2.803 1.00 0.00 O ATOM 954 CB LYS A 64 -11.477 1.703 -0.316 1.00 0.00 C ATOM 955 CG LYS A 64 -12.081 3.104 -0.363 1.00 0.00 C ATOM 956 CD LYS A 64 -13.461 3.126 0.271 1.00 0.00 C ATOM 957 CE LYS A 64 -14.532 3.491 -0.735 1.00 0.00 C ATOM 958 NZ LYS A 64 -14.591 4.960 -0.976 1.00 0.00 N ATOM 0 H LYS A 64 -9.814 3.528 -0.279 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.546 0.743 -0.494 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.160 1.014 -0.812 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.408 1.390 0.726 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.427 3.803 0.158 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.147 3.440 -1.398 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.681 2.148 0.698 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.473 3.843 1.092 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.337 2.976 -1.676 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -15.501 3.143 -0.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.464 5.193 -1.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.582 5.462 -0.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.768 5.252 -1.541 1.00 0.00 H new ATOM 972 N TYR A 65 -9.911 2.190 -3.311 1.00 0.00 N ATOM 973 CA TYR A 65 -10.006 1.968 -4.748 1.00 0.00 C ATOM 974 C TYR A 65 -8.846 1.120 -5.272 1.00 0.00 C ATOM 975 O TYR A 65 -8.960 0.510 -6.332 1.00 0.00 O ATOM 976 CB TYR A 65 -10.050 3.297 -5.506 1.00 0.00 C ATOM 977 CG TYR A 65 -11.154 4.235 -5.057 1.00 0.00 C ATOM 978 CD1 TYR A 65 -12.115 3.823 -4.144 1.00 0.00 C ATOM 979 CD2 TYR A 65 -11.229 5.532 -5.546 1.00 0.00 C ATOM 980 CE1 TYR A 65 -13.120 4.673 -3.731 1.00 0.00 C ATOM 981 CE2 TYR A 65 -12.233 6.391 -5.139 1.00 0.00 C ATOM 982 CZ TYR A 65 -13.175 5.957 -4.231 1.00 0.00 C ATOM 983 OH TYR A 65 -14.176 6.808 -3.822 1.00 0.00 O ATOM 0 H TYR A 65 -9.578 3.117 -3.045 1.00 0.00 H new ATOM 0 HA TYR A 65 -10.934 1.424 -4.921 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.091 3.801 -5.388 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.174 3.092 -6.569 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -12.075 2.818 -3.750 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -10.491 5.876 -6.256 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -13.859 4.335 -3.020 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -12.279 7.397 -5.530 1.00 0.00 H new ATOM 0 HH TYR A 65 -13.911 7.247 -2.987 1.00 0.00 H new ATOM 993 N PHE A 66 -7.757 1.046 -4.499 1.00 0.00 N ATOM 994 CA PHE A 66 -6.558 0.299 -4.905 1.00 0.00 C ATOM 995 C PHE A 66 -6.935 -1.058 -5.502 1.00 0.00 C ATOM 996 O PHE A 66 -6.482 -1.425 -6.586 1.00 0.00 O ATOM 997 CB PHE A 66 -5.606 0.162 -3.683 1.00 0.00 C ATOM 998 CG PHE A 66 -5.167 -1.238 -3.311 1.00 0.00 C ATOM 999 CD1 PHE A 66 -4.550 -2.067 -4.234 1.00 0.00 C ATOM 1000 CD2 PHE A 66 -5.366 -1.710 -2.027 1.00 0.00 C ATOM 1001 CE1 PHE A 66 -4.147 -3.341 -3.881 1.00 0.00 C ATOM 1002 CE2 PHE A 66 -4.967 -2.979 -1.664 1.00 0.00 C ATOM 1003 CZ PHE A 66 -4.356 -3.799 -2.593 1.00 0.00 C ATOM 0 H PHE A 66 -7.680 1.495 -3.586 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.033 0.844 -5.689 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.714 0.756 -3.880 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.099 0.604 -2.817 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.382 -1.714 -5.241 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.842 -1.074 -1.296 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.669 -3.978 -4.610 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.132 -3.331 -0.656 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.043 -4.794 -2.314 1.00 0.00 H new ATOM 1013 N LEU A 67 -7.763 -1.787 -4.784 1.00 0.00 N ATOM 1014 CA LEU A 67 -8.215 -3.086 -5.241 1.00 0.00 C ATOM 1015 C LEU A 67 -9.158 -2.922 -6.416 1.00 0.00 C ATOM 1016 O LEU A 67 -9.163 -3.721 -7.349 1.00 0.00 O ATOM 1017 CB LEU A 67 -8.920 -3.834 -4.114 1.00 0.00 C ATOM 1018 CG LEU A 67 -8.010 -4.714 -3.261 1.00 0.00 C ATOM 1019 CD1 LEU A 67 -8.811 -5.420 -2.178 1.00 0.00 C ATOM 1020 CD2 LEU A 67 -7.274 -5.718 -4.136 1.00 0.00 C ATOM 0 H LEU A 67 -8.138 -1.502 -3.879 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.346 -3.664 -5.555 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.410 -3.107 -3.466 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.704 -4.457 -4.545 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.270 -4.080 -2.773 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.145 -6.043 -1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.288 -4.679 -1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.575 -6.045 -2.640 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.629 -6.339 -3.514 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.997 -6.350 -4.652 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.668 -5.186 -4.869 1.00 0.00 H new ATOM 1032 N GLN A 68 -9.932 -1.856 -6.360 1.00 0.00 N ATOM 1033 CA GLN A 68 -10.912 -1.544 -7.375 1.00 0.00 C ATOM 1034 C GLN A 68 -10.262 -0.964 -8.624 1.00 0.00 C ATOM 1035 O GLN A 68 -10.948 -0.682 -9.608 1.00 0.00 O ATOM 1036 CB GLN A 68 -11.941 -0.573 -6.811 1.00 0.00 C ATOM 1037 CG GLN A 68 -13.167 -1.253 -6.226 1.00 0.00 C ATOM 1038 CD GLN A 68 -14.278 -0.273 -5.904 1.00 0.00 C ATOM 1039 OE1 GLN A 68 -14.430 0.752 -6.570 1.00 0.00 O ATOM 1040 NE2 GLN A 68 -15.058 -0.581 -4.875 1.00 0.00 N ATOM 0 H GLN A 68 -9.896 -1.177 -5.600 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.408 -2.470 -7.666 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.469 0.034 -6.038 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -12.257 0.108 -7.602 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -13.537 -1.997 -6.931 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.884 -1.787 -5.319 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.895 -1.441 -4.351 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.820 0.042 -4.608 1.00 0.00 H new ATOM 1049 N LYS A 69 -8.942 -0.777 -8.597 1.00 0.00 N ATOM 1050 CA LYS A 69 -8.238 -0.246 -9.740 1.00 0.00 C ATOM 1051 C LYS A 69 -8.086 -1.338 -10.773 1.00 0.00 C ATOM 1052 O LYS A 69 -8.539 -1.226 -11.911 1.00 0.00 O ATOM 1053 CB LYS A 69 -6.852 0.221 -9.323 1.00 0.00 C ATOM 1054 CG LYS A 69 -6.864 1.306 -8.266 1.00 0.00 C ATOM 1055 CD LYS A 69 -7.816 2.438 -8.623 1.00 0.00 C ATOM 1056 CE LYS A 69 -7.584 2.944 -10.036 1.00 0.00 C ATOM 1057 NZ LYS A 69 -8.502 4.064 -10.382 1.00 0.00 N ATOM 0 H LYS A 69 -8.350 -0.988 -7.794 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.800 0.594 -10.150 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.289 -0.633 -8.947 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.323 0.589 -10.202 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.155 0.876 -7.308 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.857 1.704 -8.144 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.845 2.092 -8.525 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.687 3.258 -7.917 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.551 3.277 -10.138 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.726 2.126 -10.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.312 4.381 -11.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.488 3.740 -10.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.349 4.855 -9.724 1.00 0.00 H new ATOM 1071 N PHE A 70 -7.430 -2.403 -10.335 1.00 0.00 N ATOM 1072 CA PHE A 70 -7.168 -3.551 -11.186 1.00 0.00 C ATOM 1073 C PHE A 70 -8.368 -4.486 -11.243 1.00 0.00 C ATOM 1074 O PHE A 70 -8.642 -5.089 -12.282 1.00 0.00 O ATOM 1075 CB PHE A 70 -5.929 -4.337 -10.720 1.00 0.00 C ATOM 1076 CG PHE A 70 -5.162 -3.739 -9.566 1.00 0.00 C ATOM 1077 CD1 PHE A 70 -5.492 -4.042 -8.247 1.00 0.00 C ATOM 1078 CD2 PHE A 70 -4.101 -2.880 -9.805 1.00 0.00 C ATOM 1079 CE1 PHE A 70 -4.774 -3.496 -7.201 1.00 0.00 C ATOM 1080 CE2 PHE A 70 -3.384 -2.333 -8.760 1.00 0.00 C ATOM 1081 CZ PHE A 70 -3.720 -2.643 -7.457 1.00 0.00 C ATOM 0 H PHE A 70 -7.067 -2.494 -9.386 1.00 0.00 H new ATOM 0 HA PHE A 70 -6.976 -3.158 -12.185 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.245 -5.342 -10.439 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.250 -4.442 -11.566 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.316 -4.709 -8.041 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -3.832 -2.635 -10.822 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -5.038 -3.737 -6.182 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.561 -1.663 -8.961 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.158 -2.218 -6.639 1.00 0.00 H new ATOM 1091 N GLN A 71 -9.085 -4.608 -10.134 1.00 0.00 N ATOM 1092 CA GLN A 71 -10.244 -5.489 -10.096 1.00 0.00 C ATOM 1093 C GLN A 71 -11.478 -4.790 -10.655 1.00 0.00 C ATOM 1094 O GLN A 71 -11.841 -4.997 -11.813 1.00 0.00 O ATOM 1095 CB GLN A 71 -10.514 -5.984 -8.674 1.00 0.00 C ATOM 1096 CG GLN A 71 -11.765 -6.842 -8.561 1.00 0.00 C ATOM 1097 CD GLN A 71 -12.006 -7.368 -7.156 1.00 0.00 C ATOM 1098 OE1 GLN A 71 -11.651 -6.577 -6.148 1.00 0.00 O flip ATOM 1099 NE2 GLN A 71 -12.520 -8.472 -6.979 1.00 0.00 N flip ATOM 0 H GLN A 71 -8.889 -4.117 -9.262 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.022 -6.353 -10.723 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.655 -6.559 -8.328 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.610 -5.125 -8.010 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -12.629 -6.256 -8.876 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -11.683 -7.684 -9.248 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.778 -9.049 -7.780 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.688 -8.810 -6.032 1.00 0.00 H new ATOM 1108 N SER A 72 -12.108 -3.975 -9.798 1.00 0.00 N ATOM 1109 CA SER A 72 -13.328 -3.206 -10.103 1.00 0.00 C ATOM 1110 C SER A 72 -14.488 -3.727 -9.260 1.00 0.00 C ATOM 1111 O SER A 72 -15.654 -3.540 -9.606 1.00 0.00 O ATOM 1112 CB SER A 72 -13.711 -3.234 -11.585 1.00 0.00 C ATOM 1113 OG SER A 72 -12.667 -2.719 -12.393 1.00 0.00 O ATOM 0 H SER A 72 -11.775 -3.826 -8.845 1.00 0.00 H new ATOM 0 HA SER A 72 -13.112 -2.166 -9.857 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.937 -4.257 -11.886 1.00 0.00 H new ATOM 0 HB3 SER A 72 -14.617 -2.649 -11.740 1.00 0.00 H new ATOM 0 HG SER A 72 -12.098 -3.455 -12.701 1.00 0.00 H new ATOM 1119 N ASP A 73 -14.157 -4.387 -8.148 1.00 0.00 N ATOM 1120 CA ASP A 73 -15.164 -4.951 -7.264 1.00 0.00 C ATOM 1121 C ASP A 73 -14.600 -5.180 -5.866 1.00 0.00 C ATOM 1122 O ASP A 73 -15.082 -6.044 -5.133 1.00 0.00 O ATOM 1123 CB ASP A 73 -15.697 -6.268 -7.837 1.00 0.00 C ATOM 1124 CG ASP A 73 -16.818 -6.851 -7.000 1.00 0.00 C ATOM 1125 OD1 ASP A 73 -17.982 -6.445 -7.202 1.00 0.00 O ATOM 1126 OD2 ASP A 73 -16.532 -7.713 -6.143 1.00 0.00 O ATOM 0 H ASP A 73 -13.196 -4.541 -7.843 1.00 0.00 H new ATOM 0 HA ASP A 73 -15.984 -4.237 -7.189 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -16.055 -6.101 -8.853 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -14.882 -6.989 -7.901 1.00 0.00 H new ATOM 1131 N ALA A 74 -13.580 -4.410 -5.490 1.00 0.00 N ATOM 1132 CA ALA A 74 -12.984 -4.549 -4.176 1.00 0.00 C ATOM 1133 C ALA A 74 -14.030 -4.354 -3.098 1.00 0.00 C ATOM 1134 O ALA A 74 -15.035 -3.676 -3.311 1.00 0.00 O ATOM 1135 CB ALA A 74 -11.876 -3.527 -3.988 1.00 0.00 C ATOM 0 H ALA A 74 -13.157 -3.691 -6.076 1.00 0.00 H new ATOM 0 HA ALA A 74 -12.567 -5.553 -4.097 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.438 -3.644 -2.997 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.107 -3.681 -4.745 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.287 -2.522 -4.087 1.00 0.00 H new ATOM 1141 N ARG A 75 -13.796 -4.949 -1.939 1.00 0.00 N ATOM 1142 CA ARG A 75 -14.710 -4.791 -0.825 1.00 0.00 C ATOM 1143 C ARG A 75 -14.655 -3.353 -0.302 1.00 0.00 C ATOM 1144 O ARG A 75 -15.481 -2.955 0.515 1.00 0.00 O ATOM 1145 CB ARG A 75 -14.363 -5.771 0.297 1.00 0.00 C ATOM 1146 CG ARG A 75 -12.942 -5.622 0.814 1.00 0.00 C ATOM 1147 CD ARG A 75 -12.099 -6.844 0.486 1.00 0.00 C ATOM 1148 NE ARG A 75 -10.675 -6.597 0.683 1.00 0.00 N ATOM 1149 CZ ARG A 75 -9.735 -7.521 0.503 1.00 0.00 C ATOM 1150 NH1 ARG A 75 -10.072 -8.747 0.128 1.00 0.00 N ATOM 1151 NH2 ARG A 75 -8.458 -7.219 0.698 1.00 0.00 N ATOM 0 H ARG A 75 -12.987 -5.541 -1.748 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.721 -5.005 -1.172 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -15.059 -5.626 1.123 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -14.505 -6.790 -0.064 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.485 -4.735 0.375 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.960 -5.470 1.893 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.412 -7.679 1.113 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.276 -7.139 -0.548 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.384 -5.664 0.975 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.053 -8.983 -0.023 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.350 -9.455 -0.010 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.195 -6.277 0.987 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -7.739 -7.929 0.559 1.00 0.00 H new ATOM 1165 N GLU A 76 -13.657 -2.587 -0.783 1.00 0.00 N ATOM 1166 CA GLU A 76 -13.453 -1.191 -0.396 1.00 0.00 C ATOM 1167 C GLU A 76 -12.565 -1.136 0.824 1.00 0.00 C ATOM 1168 O GLU A 76 -12.805 -0.379 1.764 1.00 0.00 O ATOM 1169 CB GLU A 76 -14.769 -0.465 -0.142 1.00 0.00 C ATOM 1170 CG GLU A 76 -15.757 -0.611 -1.283 1.00 0.00 C ATOM 1171 CD GLU A 76 -17.124 -0.042 -0.954 1.00 0.00 C ATOM 1172 OE1 GLU A 76 -17.950 -0.778 -0.375 1.00 0.00 O ATOM 1173 OE2 GLU A 76 -17.369 1.140 -1.276 1.00 0.00 O ATOM 0 H GLU A 76 -12.969 -2.928 -1.455 1.00 0.00 H new ATOM 0 HA GLU A 76 -12.969 -0.675 -1.225 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.219 -0.851 0.773 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -14.567 0.593 0.023 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -15.362 -0.108 -2.166 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -15.859 -1.666 -1.536 1.00 0.00 H new ATOM 1180 N LEU A 77 -11.523 -1.956 0.772 1.00 0.00 N ATOM 1181 CA LEU A 77 -10.547 -2.092 1.855 1.00 0.00 C ATOM 1182 C LEU A 77 -11.191 -1.906 3.230 1.00 0.00 C ATOM 1183 O LEU A 77 -10.562 -1.415 4.162 1.00 0.00 O ATOM 1184 CB LEU A 77 -9.423 -1.089 1.637 1.00 0.00 C ATOM 1185 CG LEU A 77 -8.513 -1.410 0.452 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -7.531 -0.281 0.232 1.00 0.00 C ATOM 1187 CD2 LEU A 77 -7.783 -2.722 0.677 1.00 0.00 C ATOM 0 H LEU A 77 -11.326 -2.554 -0.031 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.142 -3.104 1.836 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.858 -0.101 1.488 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.817 -1.038 2.542 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.127 -1.516 -0.442 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.887 -0.519 -0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.076 0.640 0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.922 -0.149 1.126 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.141 -2.932 -0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.175 -2.650 1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.509 -3.527 0.792 1.00 0.00 H new ATOM 1199 N THR A 78 -12.452 -2.325 3.329 1.00 0.00 N ATOM 1200 CA THR A 78 -13.238 -2.209 4.556 1.00 0.00 C ATOM 1201 C THR A 78 -12.966 -0.899 5.284 1.00 0.00 C ATOM 1202 O THR A 78 -12.264 -0.021 4.787 1.00 0.00 O ATOM 1203 CB THR A 78 -12.953 -3.371 5.525 1.00 0.00 C ATOM 1204 OG1 THR A 78 -11.622 -3.262 6.041 1.00 0.00 O ATOM 1205 CG2 THR A 78 -13.120 -4.710 4.827 1.00 0.00 C ATOM 0 H THR A 78 -12.959 -2.756 2.556 1.00 0.00 H new ATOM 0 HA THR A 78 -14.282 -2.239 4.246 1.00 0.00 H new ATOM 0 HB THR A 78 -13.668 -3.314 6.346 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.548 -3.783 6.868 1.00 0.00 H new ATOM 0 HG21 THR A 78 -12.913 -5.516 5.531 1.00 0.00 H new ATOM 0 HG22 THR A 78 -14.142 -4.803 4.458 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.425 -4.773 3.990 1.00 0.00 H new ATOM 1213 N GLU A 79 -13.597 -0.725 6.422 1.00 0.00 N ATOM 1214 CA GLU A 79 -13.345 0.450 7.223 1.00 0.00 C ATOM 1215 C GLU A 79 -11.912 0.385 7.746 1.00 0.00 C ATOM 1216 O GLU A 79 -11.155 1.353 7.689 1.00 0.00 O ATOM 1217 CB GLU A 79 -14.330 0.524 8.392 1.00 0.00 C ATOM 1218 CG GLU A 79 -15.785 0.388 7.975 1.00 0.00 C ATOM 1219 CD GLU A 79 -16.729 0.354 9.162 1.00 0.00 C ATOM 1220 OE1 GLU A 79 -16.979 -0.751 9.687 1.00 0.00 O ATOM 1221 OE2 GLU A 79 -17.216 1.431 9.565 1.00 0.00 O ATOM 0 H GLU A 79 -14.281 -1.374 6.811 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.478 1.343 6.613 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -14.091 -0.263 9.107 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -14.197 1.475 8.908 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -16.053 1.222 7.326 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -15.908 -0.524 7.391 1.00 0.00 H new ATOM 1228 N SER A 80 -11.569 -0.799 8.253 1.00 0.00 N ATOM 1229 CA SER A 80 -10.264 -1.071 8.852 1.00 0.00 C ATOM 1230 C SER A 80 -9.088 -1.181 7.873 1.00 0.00 C ATOM 1231 O SER A 80 -8.046 -0.570 8.107 1.00 0.00 O ATOM 1232 CB SER A 80 -10.338 -2.345 9.681 1.00 0.00 C ATOM 1233 OG SER A 80 -9.254 -2.417 10.588 1.00 0.00 O ATOM 0 H SER A 80 -12.196 -1.604 8.259 1.00 0.00 H new ATOM 0 HA SER A 80 -10.052 -0.194 9.463 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.280 -2.373 10.229 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.326 -3.214 9.023 1.00 0.00 H new ATOM 0 HG SER A 80 -9.544 -2.866 11.409 1.00 0.00 H new ATOM 1239 N GLU A 81 -9.225 -1.941 6.779 1.00 0.00 N ATOM 1240 CA GLU A 81 -8.093 -2.145 5.864 1.00 0.00 C ATOM 1241 C GLU A 81 -7.482 -0.844 5.357 1.00 0.00 C ATOM 1242 O GLU A 81 -6.260 -0.716 5.337 1.00 0.00 O ATOM 1243 CB GLU A 81 -8.499 -3.017 4.667 1.00 0.00 C ATOM 1244 CG GLU A 81 -7.394 -3.938 4.186 1.00 0.00 C ATOM 1245 CD GLU A 81 -6.125 -3.181 3.845 1.00 0.00 C ATOM 1246 OE1 GLU A 81 -6.046 -2.626 2.729 1.00 0.00 O ATOM 1247 OE2 GLU A 81 -5.210 -3.142 4.694 1.00 0.00 O ATOM 0 H GLU A 81 -10.087 -2.415 6.509 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.331 -2.656 6.453 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.367 -3.617 4.942 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -8.806 -2.371 3.845 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.178 -4.677 4.957 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -7.736 -4.485 3.307 1.00 0.00 H new ATOM 1254 N THR A 82 -8.289 0.128 4.951 1.00 0.00 N ATOM 1255 CA THR A 82 -7.722 1.377 4.471 1.00 0.00 C ATOM 1256 C THR A 82 -6.813 1.991 5.531 1.00 0.00 C ATOM 1257 O THR A 82 -5.946 2.806 5.217 1.00 0.00 O ATOM 1258 CB THR A 82 -8.797 2.394 4.076 1.00 0.00 C ATOM 1259 OG1 THR A 82 -9.614 2.716 5.207 1.00 0.00 O ATOM 1260 CG2 THR A 82 -9.663 1.857 2.947 1.00 0.00 C ATOM 0 H THR A 82 -9.308 0.079 4.944 1.00 0.00 H new ATOM 0 HA THR A 82 -7.145 1.136 3.578 1.00 0.00 H new ATOM 0 HB THR A 82 -8.297 3.298 3.728 1.00 0.00 H new ATOM 0 HG1 THR A 82 -10.296 3.368 4.943 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.419 2.597 2.684 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.040 1.650 2.077 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.152 0.938 3.269 1.00 0.00 H new ATOM 1268 N LYS A 83 -7.013 1.597 6.789 1.00 0.00 N ATOM 1269 CA LYS A 83 -6.180 2.093 7.869 1.00 0.00 C ATOM 1270 C LYS A 83 -4.738 1.694 7.592 1.00 0.00 C ATOM 1271 O LYS A 83 -3.808 2.443 7.877 1.00 0.00 O ATOM 1272 CB LYS A 83 -6.643 1.534 9.215 1.00 0.00 C ATOM 1273 CG LYS A 83 -5.931 2.154 10.404 1.00 0.00 C ATOM 1274 CD LYS A 83 -6.486 1.632 11.719 1.00 0.00 C ATOM 1275 CE LYS A 83 -5.844 2.325 12.910 1.00 0.00 C ATOM 1276 NZ LYS A 83 -6.060 3.799 12.878 1.00 0.00 N ATOM 0 H LYS A 83 -7.739 0.942 7.077 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.259 3.179 7.921 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.716 1.697 9.318 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.482 0.456 9.227 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.865 1.936 10.345 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.037 3.238 10.368 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.565 1.785 11.746 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -6.315 0.558 11.786 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.257 1.918 13.833 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -4.774 2.115 12.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -5.888 4.196 13.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.404 4.231 12.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -7.039 4.000 12.591 1.00 0.00 H new ATOM 1290 N SER A 84 -4.564 0.491 7.038 1.00 0.00 N ATOM 1291 CA SER A 84 -3.261 -0.013 6.680 1.00 0.00 C ATOM 1292 C SER A 84 -2.594 0.966 5.734 1.00 0.00 C ATOM 1293 O SER A 84 -1.481 1.434 5.972 1.00 0.00 O ATOM 1294 CB SER A 84 -3.439 -1.368 6.010 1.00 0.00 C ATOM 1295 OG SER A 84 -3.883 -2.343 6.939 1.00 0.00 O ATOM 0 H SER A 84 -5.329 -0.150 6.830 1.00 0.00 H new ATOM 0 HA SER A 84 -2.633 -0.127 7.563 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.159 -1.283 5.196 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.494 -1.686 5.568 1.00 0.00 H new ATOM 0 HG SER A 84 -4.486 -2.972 6.490 1.00 0.00 H new ATOM 1301 N LEU A 85 -3.301 1.265 4.654 1.00 0.00 N ATOM 1302 CA LEU A 85 -2.849 2.217 3.674 1.00 0.00 C ATOM 1303 C LEU A 85 -2.666 3.568 4.356 1.00 0.00 C ATOM 1304 O LEU A 85 -1.678 4.267 4.140 1.00 0.00 O ATOM 1305 CB LEU A 85 -3.913 2.281 2.578 1.00 0.00 C ATOM 1306 CG LEU A 85 -3.943 1.092 1.615 1.00 0.00 C ATOM 1307 CD1 LEU A 85 -4.943 1.341 0.497 1.00 0.00 C ATOM 1308 CD2 LEU A 85 -2.564 0.816 1.039 1.00 0.00 C ATOM 0 H LEU A 85 -4.207 0.847 4.440 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.894 1.931 3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.891 2.367 3.051 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.758 3.191 1.999 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.255 0.212 2.177 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.953 0.486 -0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -5.937 1.479 0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.657 2.237 -0.054 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.617 -0.034 0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.214 1.694 0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.870 0.590 1.849 1.00 0.00 H new ATOM 1320 N MET A 86 -3.625 3.898 5.207 1.00 0.00 N ATOM 1321 CA MET A 86 -3.595 5.121 5.968 1.00 0.00 C ATOM 1322 C MET A 86 -2.285 5.215 6.745 1.00 0.00 C ATOM 1323 O MET A 86 -1.572 6.214 6.675 1.00 0.00 O ATOM 1324 CB MET A 86 -4.778 5.140 6.927 1.00 0.00 C ATOM 1325 CG MET A 86 -5.166 6.533 7.320 1.00 0.00 C ATOM 1326 SD MET A 86 -6.923 6.856 7.132 1.00 0.00 S ATOM 1327 CE MET A 86 -6.978 7.129 5.368 1.00 0.00 C ATOM 0 H MET A 86 -4.445 3.318 5.384 1.00 0.00 H new ATOM 0 HA MET A 86 -3.662 5.975 5.295 1.00 0.00 H new ATOM 0 HB2 MET A 86 -5.630 4.645 6.460 1.00 0.00 H new ATOM 0 HB3 MET A 86 -4.528 4.568 7.821 1.00 0.00 H new ATOM 0 HG2 MET A 86 -4.880 6.704 8.358 1.00 0.00 H new ATOM 0 HG3 MET A 86 -4.605 7.244 6.714 1.00 0.00 H new ATOM 0 HE1 MET A 86 -7.480 8.074 5.162 1.00 0.00 H new ATOM 0 HE2 MET A 86 -5.963 7.164 4.973 1.00 0.00 H new ATOM 0 HE3 MET A 86 -7.525 6.316 4.891 1.00 0.00 H new ATOM 1337 N ASP A 87 -1.979 4.140 7.465 1.00 0.00 N ATOM 1338 CA ASP A 87 -0.757 4.026 8.262 1.00 0.00 C ATOM 1339 C ASP A 87 0.498 3.901 7.387 1.00 0.00 C ATOM 1340 O ASP A 87 1.617 3.854 7.901 1.00 0.00 O ATOM 1341 CB ASP A 87 -0.855 2.798 9.158 1.00 0.00 C ATOM 1342 CG ASP A 87 -2.013 2.880 10.133 1.00 0.00 C ATOM 1343 OD1 ASP A 87 -2.956 3.655 9.871 1.00 0.00 O ATOM 1344 OD2 ASP A 87 -1.973 2.172 11.162 1.00 0.00 O ATOM 0 H ASP A 87 -2.576 3.315 7.514 1.00 0.00 H new ATOM 0 HA ASP A 87 -0.665 4.937 8.854 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -0.969 1.909 8.538 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.076 2.683 9.714 1.00 0.00 H new ATOM 1349 N ALA A 88 0.310 3.850 6.073 1.00 0.00 N ATOM 1350 CA ALA A 88 1.412 3.672 5.136 1.00 0.00 C ATOM 1351 C ALA A 88 2.342 4.885 5.052 1.00 0.00 C ATOM 1352 O ALA A 88 3.530 4.729 4.776 1.00 0.00 O ATOM 1353 CB ALA A 88 0.855 3.340 3.767 1.00 0.00 C ATOM 0 H ALA A 88 -0.605 3.930 5.630 1.00 0.00 H new ATOM 0 HA ALA A 88 2.022 2.850 5.509 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.676 3.206 3.063 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.272 2.420 3.824 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.215 4.154 3.427 1.00 0.00 H new ATOM 1359 N ALA A 89 1.819 6.090 5.279 1.00 0.00 N ATOM 1360 CA ALA A 89 2.656 7.286 5.191 1.00 0.00 C ATOM 1361 C ALA A 89 2.052 8.481 5.932 1.00 0.00 C ATOM 1362 O ALA A 89 2.380 8.737 7.091 1.00 0.00 O ATOM 1363 CB ALA A 89 2.889 7.645 3.727 1.00 0.00 C ATOM 0 H ALA A 89 0.843 6.263 5.520 1.00 0.00 H new ATOM 0 HA ALA A 89 3.605 7.055 5.675 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.513 8.537 3.666 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.389 6.817 3.224 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.932 7.838 3.243 1.00 0.00 H new ATOM 1369 N ASP A 90 1.170 9.208 5.252 1.00 0.00 N ATOM 1370 CA ASP A 90 0.531 10.381 5.843 1.00 0.00 C ATOM 1371 C ASP A 90 -0.734 9.950 6.573 1.00 0.00 C ATOM 1372 O ASP A 90 -1.846 10.146 6.085 1.00 0.00 O ATOM 1373 CB ASP A 90 0.217 11.424 4.773 1.00 0.00 C ATOM 1374 CG ASP A 90 0.480 12.838 5.251 1.00 0.00 C ATOM 1375 OD1 ASP A 90 -0.248 13.305 6.151 1.00 0.00 O ATOM 1376 OD2 ASP A 90 1.415 13.477 4.726 1.00 0.00 O ATOM 0 H ASP A 90 0.882 9.007 4.294 1.00 0.00 H new ATOM 0 HA ASP A 90 1.214 10.841 6.557 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.820 11.225 3.887 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.827 11.332 4.475 1.00 0.00 H new ATOM 1381 N ASN A 91 -0.549 9.360 7.743 1.00 0.00 N ATOM 1382 CA ASN A 91 -1.666 8.843 8.539 1.00 0.00 C ATOM 1383 C ASN A 91 -2.146 9.833 9.597 1.00 0.00 C ATOM 1384 O ASN A 91 -3.330 10.163 9.661 1.00 0.00 O ATOM 1385 CB ASN A 91 -1.299 7.508 9.219 1.00 0.00 C ATOM 1386 CG ASN A 91 0.179 7.164 9.137 1.00 0.00 C ATOM 1387 OD1 ASN A 91 0.588 6.586 8.013 1.00 0.00 O flip ATOM 1388 ND2 ASN A 91 0.943 7.425 10.066 1.00 0.00 N flip ATOM 0 H ASN A 91 0.367 9.224 8.170 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.482 8.681 7.835 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -1.595 7.552 10.267 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -1.875 6.706 8.758 1.00 0.00 H new ATOM 0 HD21 ASN A 91 0.585 7.870 10.911 1.00 0.00 H new ATOM 0 HD22 ASN A 91 1.934 7.197 9.991 1.00 0.00 H new ATOM 1395 N ASP A 92 -1.220 10.300 10.421 1.00 0.00 N ATOM 1396 CA ASP A 92 -1.553 11.204 11.516 1.00 0.00 C ATOM 1397 C ASP A 92 -1.907 12.619 11.063 1.00 0.00 C ATOM 1398 O ASP A 92 -2.311 13.435 11.892 1.00 0.00 O ATOM 1399 CB ASP A 92 -0.387 11.265 12.503 1.00 0.00 C ATOM 1400 CG ASP A 92 -0.698 12.127 13.711 1.00 0.00 C ATOM 1401 OD1 ASP A 92 -0.429 13.345 13.656 1.00 0.00 O ATOM 1402 OD2 ASP A 92 -1.209 11.583 14.712 1.00 0.00 O ATOM 0 H ASP A 92 -0.229 10.068 10.353 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.446 10.796 11.989 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.141 10.256 12.834 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.494 11.658 11.996 1.00 0.00 H new ATOM 1407 N GLY A 93 -1.771 12.939 9.779 1.00 0.00 N ATOM 1408 CA GLY A 93 -2.098 14.290 9.355 1.00 0.00 C ATOM 1409 C GLY A 93 -3.006 14.374 8.139 1.00 0.00 C ATOM 1410 O GLY A 93 -4.225 14.473 8.271 1.00 0.00 O ATOM 0 H GLY A 93 -1.450 12.309 9.044 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.576 14.810 10.185 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.172 14.822 9.137 1.00 0.00 H new ATOM 1414 N ASP A 94 -2.405 14.339 6.953 1.00 0.00 N ATOM 1415 CA ASP A 94 -3.151 14.465 5.702 1.00 0.00 C ATOM 1416 C ASP A 94 -3.924 13.199 5.331 1.00 0.00 C ATOM 1417 O ASP A 94 -4.712 13.209 4.385 1.00 0.00 O ATOM 1418 CB ASP A 94 -2.201 14.839 4.565 1.00 0.00 C ATOM 1419 CG ASP A 94 -1.480 16.148 4.821 1.00 0.00 C ATOM 1420 OD1 ASP A 94 -0.437 16.126 5.509 1.00 0.00 O ATOM 1421 OD2 ASP A 94 -1.958 17.194 4.335 1.00 0.00 O ATOM 0 H ASP A 94 -1.399 14.224 6.831 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.888 15.253 5.856 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.468 14.044 4.431 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.764 14.913 3.635 1.00 0.00 H new ATOM 1426 N GLY A 95 -3.708 12.115 6.068 1.00 0.00 N ATOM 1427 CA GLY A 95 -4.400 10.872 5.764 1.00 0.00 C ATOM 1428 C GLY A 95 -4.266 10.462 4.307 1.00 0.00 C ATOM 1429 O GLY A 95 -5.071 9.676 3.804 1.00 0.00 O ATOM 0 H GLY A 95 -3.072 12.072 6.864 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -4.005 10.078 6.398 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -5.456 10.980 6.010 1.00 0.00 H new ATOM 1433 N LYS A 96 -3.250 10.987 3.624 1.00 0.00 N ATOM 1434 CA LYS A 96 -3.029 10.667 2.219 1.00 0.00 C ATOM 1435 C LYS A 96 -1.757 9.826 2.045 1.00 0.00 C ATOM 1436 O LYS A 96 -0.832 9.915 2.848 1.00 0.00 O ATOM 1437 CB LYS A 96 -2.981 11.972 1.381 1.00 0.00 C ATOM 1438 CG LYS A 96 -1.633 12.317 0.749 1.00 0.00 C ATOM 1439 CD LYS A 96 -0.540 12.473 1.793 1.00 0.00 C ATOM 1440 CE LYS A 96 0.318 13.699 1.513 1.00 0.00 C ATOM 1441 NZ LYS A 96 -0.456 14.966 1.638 1.00 0.00 N ATOM 0 H LYS A 96 -2.569 11.634 4.022 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.861 10.065 1.854 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.723 11.897 0.586 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -3.282 12.802 2.021 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.352 11.535 0.044 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -1.725 13.242 0.179 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -0.988 12.558 2.783 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.087 11.582 1.803 1.00 0.00 H new ATOM 0 HE2 LYS A 96 1.159 13.718 2.207 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.735 13.627 0.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.398 15.498 0.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -1.451 14.746 1.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -0.060 15.540 2.410 1.00 0.00 H new ATOM 1455 N ILE A 97 -1.718 9.020 0.986 1.00 0.00 N ATOM 1456 CA ILE A 97 -0.559 8.180 0.720 1.00 0.00 C ATOM 1457 C ILE A 97 -0.081 8.310 -0.718 1.00 0.00 C ATOM 1458 O ILE A 97 -0.630 7.686 -1.615 1.00 0.00 O ATOM 1459 CB ILE A 97 -0.882 6.703 0.944 1.00 0.00 C ATOM 1460 CG1 ILE A 97 -1.550 6.492 2.293 1.00 0.00 C ATOM 1461 CG2 ILE A 97 0.385 5.871 0.837 1.00 0.00 C ATOM 1462 CD1 ILE A 97 -0.663 6.814 3.472 1.00 0.00 C ATOM 0 H ILE A 97 -2.472 8.933 0.304 1.00 0.00 H new ATOM 0 HA ILE A 97 0.215 8.519 1.408 1.00 0.00 H new ATOM 0 HB ILE A 97 -1.580 6.380 0.171 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.446 7.111 2.345 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -1.875 5.454 2.368 1.00 0.00 H new ATOM 0 HG21 ILE A 97 0.145 4.820 0.998 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.820 5.996 -0.155 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.101 6.199 1.591 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -1.211 6.639 4.398 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.221 6.177 3.447 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.358 7.859 3.423 1.00 0.00 H new ATOM 1474 N GLY A 98 0.962 9.091 -0.922 1.00 0.00 N ATOM 1475 CA GLY A 98 1.528 9.260 -2.244 1.00 0.00 C ATOM 1476 C GLY A 98 2.889 8.610 -2.348 1.00 0.00 C ATOM 1477 O GLY A 98 3.457 8.208 -1.342 1.00 0.00 O ATOM 0 H GLY A 98 1.434 9.619 -0.188 1.00 0.00 H new ATOM 0 HA2 GLY A 98 0.858 8.826 -2.986 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.612 10.322 -2.473 1.00 0.00 H new ATOM 1481 N ALA A 99 3.412 8.486 -3.557 1.00 0.00 N ATOM 1482 CA ALA A 99 4.720 7.872 -3.737 1.00 0.00 C ATOM 1483 C ALA A 99 5.751 8.552 -2.834 1.00 0.00 C ATOM 1484 O ALA A 99 6.519 7.887 -2.142 1.00 0.00 O ATOM 1485 CB ALA A 99 5.137 7.946 -5.194 1.00 0.00 C ATOM 0 H ALA A 99 2.960 8.797 -4.417 1.00 0.00 H new ATOM 0 HA ALA A 99 4.662 6.821 -3.454 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.117 7.484 -5.316 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.408 7.418 -5.808 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.187 8.989 -5.506 1.00 0.00 H new ATOM 1491 N ASP A 100 5.747 9.882 -2.837 1.00 0.00 N ATOM 1492 CA ASP A 100 6.661 10.657 -2.001 1.00 0.00 C ATOM 1493 C ASP A 100 6.440 10.341 -0.523 1.00 0.00 C ATOM 1494 O ASP A 100 7.377 10.005 0.197 1.00 0.00 O ATOM 1495 CB ASP A 100 6.472 12.155 -2.249 1.00 0.00 C ATOM 1496 CG ASP A 100 6.813 12.554 -3.670 1.00 0.00 C ATOM 1497 OD1 ASP A 100 5.906 12.530 -4.528 1.00 0.00 O ATOM 1498 OD2 ASP A 100 7.988 12.894 -3.925 1.00 0.00 O ATOM 0 H ASP A 100 5.120 10.447 -3.410 1.00 0.00 H new ATOM 0 HA ASP A 100 7.681 10.381 -2.267 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.438 12.428 -2.036 1.00 0.00 H new ATOM 0 HB3 ASP A 100 7.099 12.717 -1.557 1.00 0.00 H new ATOM 1503 N GLU A 101 5.188 10.448 -0.085 1.00 0.00 N ATOM 1504 CA GLU A 101 4.819 10.165 1.298 1.00 0.00 C ATOM 1505 C GLU A 101 5.171 8.724 1.635 1.00 0.00 C ATOM 1506 O GLU A 101 5.835 8.443 2.632 1.00 0.00 O ATOM 1507 CB GLU A 101 3.313 10.398 1.480 1.00 0.00 C ATOM 1508 CG GLU A 101 2.940 11.653 2.258 1.00 0.00 C ATOM 1509 CD GLU A 101 3.937 12.790 2.103 1.00 0.00 C ATOM 1510 OE1 GLU A 101 4.894 12.853 2.904 1.00 0.00 O ATOM 1511 OE2 GLU A 101 3.760 13.615 1.183 1.00 0.00 O ATOM 0 H GLU A 101 4.406 10.732 -0.675 1.00 0.00 H new ATOM 0 HA GLU A 101 5.367 10.828 1.968 1.00 0.00 H new ATOM 0 HB2 GLU A 101 2.848 10.449 0.496 1.00 0.00 H new ATOM 0 HB3 GLU A 101 2.887 9.534 1.990 1.00 0.00 H new ATOM 0 HG2 GLU A 101 1.959 11.995 1.929 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.852 11.401 3.315 1.00 0.00 H new ATOM 1518 N PHE A 102 4.713 7.820 0.786 1.00 0.00 N ATOM 1519 CA PHE A 102 4.985 6.405 0.937 1.00 0.00 C ATOM 1520 C PHE A 102 6.489 6.178 1.060 1.00 0.00 C ATOM 1521 O PHE A 102 6.949 5.433 1.925 1.00 0.00 O ATOM 1522 CB PHE A 102 4.414 5.650 -0.267 1.00 0.00 C ATOM 1523 CG PHE A 102 4.558 4.165 -0.157 1.00 0.00 C ATOM 1524 CD1 PHE A 102 5.809 3.579 -0.178 1.00 0.00 C ATOM 1525 CD2 PHE A 102 3.441 3.355 -0.023 1.00 0.00 C ATOM 1526 CE1 PHE A 102 5.949 2.219 -0.068 1.00 0.00 C ATOM 1527 CE2 PHE A 102 3.576 1.985 0.085 1.00 0.00 C ATOM 1528 CZ PHE A 102 4.833 1.416 0.062 1.00 0.00 C ATOM 0 H PHE A 102 4.142 8.049 -0.027 1.00 0.00 H new ATOM 0 HA PHE A 102 4.509 6.030 1.843 1.00 0.00 H new ATOM 0 HB2 PHE A 102 3.358 5.899 -0.376 1.00 0.00 H new ATOM 0 HB3 PHE A 102 4.916 5.991 -1.172 1.00 0.00 H new ATOM 0 HD1 PHE A 102 6.687 4.199 -0.282 1.00 0.00 H new ATOM 0 HD2 PHE A 102 2.457 3.799 -0.003 1.00 0.00 H new ATOM 0 HE1 PHE A 102 6.934 1.775 -0.083 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.701 1.361 0.187 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.944 0.345 0.145 1.00 0.00 H new ATOM 1538 N GLN A 103 7.246 6.829 0.181 1.00 0.00 N ATOM 1539 CA GLN A 103 8.702 6.722 0.185 1.00 0.00 C ATOM 1540 C GLN A 103 9.278 7.107 1.540 1.00 0.00 C ATOM 1541 O GLN A 103 10.315 6.587 1.954 1.00 0.00 O ATOM 1542 CB GLN A 103 9.291 7.614 -0.904 1.00 0.00 C ATOM 1543 CG GLN A 103 9.063 7.071 -2.290 1.00 0.00 C ATOM 1544 CD GLN A 103 10.199 6.205 -2.756 1.00 0.00 C ATOM 1545 OE1 GLN A 103 10.284 5.999 -4.056 1.00 0.00 O flip ATOM 1546 NE2 GLN A 103 10.980 5.698 -1.950 1.00 0.00 N flip ATOM 0 H GLN A 103 6.873 7.439 -0.546 1.00 0.00 H new ATOM 0 HA GLN A 103 8.967 5.684 -0.013 1.00 0.00 H new ATOM 0 HB2 GLN A 103 8.850 8.608 -0.831 1.00 0.00 H new ATOM 0 HB3 GLN A 103 10.362 7.727 -0.735 1.00 0.00 H new ATOM 0 HG2 GLN A 103 8.139 6.493 -2.304 1.00 0.00 H new ATOM 0 HG3 GLN A 103 8.932 7.900 -2.986 1.00 0.00 H new ATOM 0 HE21 GLN A 103 10.876 5.885 -0.953 1.00 0.00 H new ATOM 0 HE22 GLN A 103 11.730 5.091 -2.280 1.00 0.00 H new ATOM 1555 N GLU A 104 8.602 8.019 2.231 1.00 0.00 N ATOM 1556 CA GLU A 104 9.067 8.460 3.539 1.00 0.00 C ATOM 1557 C GLU A 104 9.055 7.297 4.525 1.00 0.00 C ATOM 1558 O GLU A 104 9.922 7.193 5.392 1.00 0.00 O ATOM 1559 CB GLU A 104 8.202 9.607 4.069 1.00 0.00 C ATOM 1560 CG GLU A 104 8.254 10.857 3.207 1.00 0.00 C ATOM 1561 CD GLU A 104 9.638 11.472 3.154 1.00 0.00 C ATOM 1562 OE1 GLU A 104 10.467 11.001 2.346 1.00 0.00 O ATOM 1563 OE2 GLU A 104 9.893 12.427 3.917 1.00 0.00 O ATOM 0 H GLU A 104 7.741 8.462 1.911 1.00 0.00 H new ATOM 0 HA GLU A 104 10.089 8.823 3.430 1.00 0.00 H new ATOM 0 HB2 GLU A 104 7.168 9.268 4.141 1.00 0.00 H new ATOM 0 HB3 GLU A 104 8.526 9.859 5.079 1.00 0.00 H new ATOM 0 HG2 GLU A 104 7.931 10.610 2.196 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.549 11.592 3.596 1.00 0.00 H new ATOM 1570 N MET A 105 8.064 6.423 4.379 1.00 0.00 N ATOM 1571 CA MET A 105 7.925 5.266 5.255 1.00 0.00 C ATOM 1572 C MET A 105 9.120 4.321 5.144 1.00 0.00 C ATOM 1573 O MET A 105 9.753 3.998 6.148 1.00 0.00 O ATOM 1574 CB MET A 105 6.631 4.520 4.944 1.00 0.00 C ATOM 1575 CG MET A 105 5.878 4.081 6.189 1.00 0.00 C ATOM 1576 SD MET A 105 6.856 2.995 7.246 1.00 0.00 S ATOM 1577 CE MET A 105 7.244 1.672 6.104 1.00 0.00 C ATOM 0 H MET A 105 7.344 6.495 3.660 1.00 0.00 H new ATOM 0 HA MET A 105 7.891 5.633 6.281 1.00 0.00 H new ATOM 0 HB2 MET A 105 5.985 5.161 4.344 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.861 3.643 4.339 1.00 0.00 H new ATOM 0 HG2 MET A 105 5.579 4.962 6.757 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.964 3.567 5.893 1.00 0.00 H new ATOM 0 HE1 MET A 105 7.385 0.743 6.657 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.425 1.552 5.395 1.00 0.00 H new ATOM 0 HE3 MET A 105 8.159 1.914 5.564 1.00 0.00 H new ATOM 1587 N VAL A 106 9.432 3.873 3.925 1.00 0.00 N ATOM 1588 CA VAL A 106 10.553 2.966 3.719 1.00 0.00 C ATOM 1589 C VAL A 106 11.862 3.615 4.158 1.00 0.00 C ATOM 1590 O VAL A 106 12.791 2.934 4.591 1.00 0.00 O ATOM 1591 CB VAL A 106 10.670 2.532 2.240 1.00 0.00 C ATOM 1592 CG1 VAL A 106 10.754 3.748 1.333 1.00 0.00 C ATOM 1593 CG2 VAL A 106 11.875 1.613 2.037 1.00 0.00 C ATOM 0 H VAL A 106 8.926 4.124 3.075 1.00 0.00 H new ATOM 0 HA VAL A 106 10.364 2.081 4.327 1.00 0.00 H new ATOM 0 HB VAL A 106 9.774 1.971 1.975 1.00 0.00 H new ATOM 0 HG11 VAL A 106 10.836 3.423 0.296 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.856 4.355 1.454 1.00 0.00 H new ATOM 0 HG13 VAL A 106 11.630 4.340 1.598 1.00 0.00 H new ATOM 0 HG21 VAL A 106 11.937 1.320 0.989 1.00 0.00 H new ATOM 0 HG22 VAL A 106 12.786 2.139 2.321 1.00 0.00 H new ATOM 0 HG23 VAL A 106 11.762 0.723 2.656 1.00 0.00 H new ATOM 1603 N HIS A 107 11.923 4.936 4.043 1.00 0.00 N ATOM 1604 CA HIS A 107 13.114 5.682 4.431 1.00 0.00 C ATOM 1605 C HIS A 107 13.155 5.893 5.942 1.00 0.00 C ATOM 1606 O HIS A 107 14.223 6.089 6.522 1.00 0.00 O ATOM 1607 CB HIS A 107 13.152 7.032 3.712 1.00 0.00 C ATOM 1608 CG HIS A 107 14.523 7.424 3.251 1.00 0.00 C ATOM 1609 ND1 HIS A 107 15.408 8.136 4.032 1.00 0.00 N ATOM 1610 CD2 HIS A 107 15.160 7.195 2.077 1.00 0.00 C ATOM 1611 CE1 HIS A 107 16.529 8.330 3.359 1.00 0.00 C ATOM 1612 NE2 HIS A 107 16.404 7.768 2.171 1.00 0.00 N ATOM 0 H HIS A 107 11.162 5.513 3.684 1.00 0.00 H new ATOM 0 HA HIS A 107 13.989 5.100 4.141 1.00 0.00 H new ATOM 0 HB2 HIS A 107 12.484 6.995 2.851 1.00 0.00 H new ATOM 0 HB3 HIS A 107 12.768 7.802 4.381 1.00 0.00 H new ATOM 0 HD2 HIS A 107 14.763 6.661 1.226 1.00 0.00 H new ATOM 0 HE1 HIS A 107 17.399 8.858 3.720 1.00 0.00 H new ATOM 0 HE2 HIS A 107 17.116 7.761 1.441 1.00 0.00 H new ATOM 1621 N SER A 108 11.985 5.853 6.574 1.00 0.00 N ATOM 1622 CA SER A 108 11.889 6.037 8.017 1.00 0.00 C ATOM 1623 C SER A 108 12.560 4.885 8.760 1.00 0.00 C ATOM 1624 O SER A 108 13.769 4.994 9.051 1.00 0.00 O ATOM 1625 CB SER A 108 10.424 6.146 8.442 1.00 0.00 C ATOM 1626 OG SER A 108 10.306 6.256 9.851 1.00 0.00 O ATOM 1627 OXT SER A 108 11.869 3.884 9.046 1.00 0.00 O ATOM 0 H SER A 108 11.091 5.695 6.109 1.00 0.00 H new ATOM 0 HA SER A 108 12.406 6.962 8.274 1.00 0.00 H new ATOM 0 HB2 SER A 108 9.969 7.015 7.967 1.00 0.00 H new ATOM 0 HB3 SER A 108 9.876 5.270 8.096 1.00 0.00 H new ATOM 0 HG SER A 108 9.360 6.326 10.096 1.00 0.00 H new TER 1633 SER A 108