USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 424 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 105 THR OG1 : rot -150:sc= -1.05! USER MOD Set 1.2: A 107 GLN : amide:sc= -3.51! C(o=-4.6!,f=-7.2!) USER MOD Single : A 70 HIS : no HE2:sc= -6.08! C(o=-6.1!,f=-6.7!) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0802 USER MOD Single : A 72 TYR OH : rot 67:sc= -1.1! USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -128:sc= -2.8 (180deg=-7.4!) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= -0.118 USER MOD Single : A 104 THR OG1 : rot 125:sc= 0.533 USER MOD Single : A 114 ASN : amide:sc= -2.6 K(o=-2.6,f=-4.5!) USER MOD Single : A 118 LYS NZ :NH3+ -150:sc= -0.242 (180deg=-1.11) USER MOD Single : A 120 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD ----------------------------------------------------------------- ATOM 15 N LEU A 65 1.020 3.829 10.766 1.00 0.00 N ATOM 16 CA LEU A 65 0.147 4.581 9.893 1.00 0.00 C ATOM 17 C LEU A 65 0.926 5.361 8.857 1.00 0.00 C ATOM 18 O LEU A 65 1.999 5.903 9.122 1.00 0.00 O ATOM 19 CB LEU A 65 -0.753 5.522 10.681 1.00 0.00 C ATOM 20 CG LEU A 65 -1.491 6.545 9.838 1.00 0.00 C ATOM 21 CD1 LEU A 65 -2.361 5.841 8.812 1.00 0.00 C ATOM 22 CD2 LEU A 65 -2.323 7.472 10.712 1.00 0.00 C ATOM 0 HA LEU A 65 -0.478 3.854 9.375 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.484 4.929 11.231 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.148 6.048 11.420 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.758 7.157 9.312 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.887 6.583 8.211 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.735 5.227 8.164 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.086 5.207 9.323 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.842 8.196 10.084 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.053 6.887 11.271 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.670 7.998 11.409 1.00 0.00 H new ATOM 34 N VAL A 66 0.356 5.396 7.673 1.00 0.00 N ATOM 35 CA VAL A 66 0.945 6.087 6.544 1.00 0.00 C ATOM 36 C VAL A 66 -0.008 7.110 5.943 1.00 0.00 C ATOM 37 O VAL A 66 -1.119 7.312 6.429 1.00 0.00 O ATOM 38 CB VAL A 66 1.330 5.096 5.447 1.00 0.00 C ATOM 39 CG1 VAL A 66 2.645 4.412 5.779 1.00 0.00 C ATOM 40 CG2 VAL A 66 0.225 4.073 5.230 1.00 0.00 C ATOM 0 H VAL A 66 -0.534 4.944 7.464 1.00 0.00 H new ATOM 0 HA VAL A 66 1.829 6.600 6.922 1.00 0.00 H new ATOM 0 HB VAL A 66 1.462 5.651 4.518 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.901 3.710 4.985 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.432 5.161 5.869 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.547 3.873 6.722 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.522 3.378 4.444 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.052 3.523 6.155 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.691 4.584 4.935 1.00 0.00 H new ATOM 50 N ILE A 67 0.438 7.741 4.867 1.00 0.00 N ATOM 51 CA ILE A 67 -0.362 8.729 4.172 1.00 0.00 C ATOM 52 C ILE A 67 -0.094 8.683 2.673 1.00 0.00 C ATOM 53 O ILE A 67 1.046 8.799 2.225 1.00 0.00 O ATOM 54 CB ILE A 67 -0.131 10.153 4.736 1.00 0.00 C ATOM 55 CG1 ILE A 67 -1.375 10.573 5.502 1.00 0.00 C ATOM 56 CG2 ILE A 67 0.186 11.156 3.632 1.00 0.00 C ATOM 57 CD1 ILE A 67 -1.413 12.028 5.913 1.00 0.00 C ATOM 0 H ILE A 67 1.358 7.582 4.456 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.410 8.481 4.339 1.00 0.00 H new ATOM 0 HB ILE A 67 0.733 10.136 5.400 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.250 10.362 4.887 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.458 9.956 6.397 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.341 12.142 4.070 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.090 10.846 3.107 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.646 11.198 2.929 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.338 12.230 6.453 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.562 12.246 6.558 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.367 12.658 5.025 1.00 0.00 H new ATOM 69 N ALA A 68 -1.161 8.495 1.909 1.00 0.00 N ATOM 70 CA ALA A 68 -1.061 8.411 0.456 1.00 0.00 C ATOM 71 C ALA A 68 -0.454 9.672 -0.146 1.00 0.00 C ATOM 72 O ALA A 68 -0.549 10.759 0.424 1.00 0.00 O ATOM 73 CB ALA A 68 -2.428 8.136 -0.154 1.00 0.00 C ATOM 0 H ALA A 68 -2.109 8.397 2.271 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.393 7.583 0.221 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.337 8.076 -1.239 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.815 7.192 0.230 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.113 8.943 0.109 1.00 0.00 H new ATOM 79 N LEU A 69 0.166 9.512 -1.310 1.00 0.00 N ATOM 80 CA LEU A 69 0.793 10.624 -2.015 1.00 0.00 C ATOM 81 C LEU A 69 0.182 10.802 -3.405 1.00 0.00 C ATOM 82 O LEU A 69 0.672 11.594 -4.210 1.00 0.00 O ATOM 83 CB LEU A 69 2.295 10.377 -2.144 1.00 0.00 C ATOM 84 CG LEU A 69 3.074 10.432 -0.826 1.00 0.00 C ATOM 85 CD1 LEU A 69 4.549 10.113 -1.046 1.00 0.00 C ATOM 86 CD2 LEU A 69 2.920 11.802 -0.184 1.00 0.00 C ATOM 0 H LEU A 69 0.248 8.615 -1.789 1.00 0.00 H new ATOM 0 HA LEU A 69 0.620 11.534 -1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.450 9.399 -2.600 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.713 11.117 -2.827 1.00 0.00 H new ATOM 0 HG LEU A 69 2.663 9.677 -0.156 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.077 10.159 -0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.646 9.112 -1.466 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.979 10.839 -1.735 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.478 11.830 0.752 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.306 12.566 -0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.866 11.994 0.016 1.00 0.00 H new ATOM 98 N HIS A 70 -0.878 10.047 -3.687 1.00 0.00 N ATOM 99 CA HIS A 70 -1.540 10.111 -4.986 1.00 0.00 C ATOM 100 C HIS A 70 -2.910 9.441 -4.926 1.00 0.00 C ATOM 101 O HIS A 70 -3.084 8.426 -4.251 1.00 0.00 O ATOM 102 CB HIS A 70 -0.680 9.436 -6.071 1.00 0.00 C ATOM 103 CG HIS A 70 0.569 8.771 -5.559 1.00 0.00 C ATOM 104 ND1 HIS A 70 1.762 8.783 -6.247 1.00 0.00 N ATOM 105 CD2 HIS A 70 0.809 8.079 -4.417 1.00 0.00 C ATOM 106 CE1 HIS A 70 2.678 8.132 -5.555 1.00 0.00 C ATOM 107 NE2 HIS A 70 2.127 7.696 -4.439 1.00 0.00 N ATOM 0 H HIS A 70 -1.296 9.385 -3.033 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.670 11.162 -5.243 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.287 8.691 -6.586 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.399 10.185 -6.811 1.00 0.00 H new ATOM 0 HD1 HIS A 70 1.914 9.227 -7.153 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.095 7.868 -3.635 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.705 7.982 -5.852 1.00 0.00 H new ATOM 116 N SER A 71 -3.879 10.005 -5.644 1.00 0.00 N ATOM 117 CA SER A 71 -5.227 9.446 -5.674 1.00 0.00 C ATOM 118 C SER A 71 -5.188 7.991 -6.125 1.00 0.00 C ATOM 119 O SER A 71 -4.650 7.676 -7.188 1.00 0.00 O ATOM 120 CB SER A 71 -6.124 10.255 -6.610 1.00 0.00 C ATOM 121 OG SER A 71 -5.640 11.578 -6.764 1.00 0.00 O ATOM 0 H SER A 71 -3.756 10.845 -6.210 1.00 0.00 H new ATOM 0 HA SER A 71 -5.638 9.494 -4.666 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.173 9.767 -7.583 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.139 10.280 -6.214 1.00 0.00 H new ATOM 0 HG SER A 71 -6.230 12.074 -7.369 1.00 0.00 H new ATOM 127 N TYR A 72 -5.740 7.102 -5.308 1.00 0.00 N ATOM 128 CA TYR A 72 -5.737 5.676 -5.635 1.00 0.00 C ATOM 129 C TYR A 72 -7.098 5.173 -6.102 1.00 0.00 C ATOM 130 O TYR A 72 -8.144 5.626 -5.634 1.00 0.00 O ATOM 131 CB TYR A 72 -5.291 4.842 -4.435 1.00 0.00 C ATOM 132 CG TYR A 72 -5.002 3.400 -4.788 1.00 0.00 C ATOM 133 CD1 TYR A 72 -4.204 3.077 -5.879 1.00 0.00 C ATOM 134 CD2 TYR A 72 -5.539 2.363 -4.039 1.00 0.00 C ATOM 135 CE1 TYR A 72 -3.951 1.760 -6.210 1.00 0.00 C ATOM 136 CE2 TYR A 72 -5.285 1.045 -4.361 1.00 0.00 C ATOM 137 CZ TYR A 72 -4.494 0.750 -5.447 1.00 0.00 C ATOM 138 OH TYR A 72 -4.248 -0.561 -5.775 1.00 0.00 O ATOM 0 H TYR A 72 -6.191 7.336 -4.424 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.031 5.560 -6.457 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.397 5.290 -4.001 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -6.067 4.874 -3.670 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.775 3.868 -6.477 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.166 2.591 -3.190 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.331 1.524 -7.062 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.705 0.250 -3.763 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.297 -0.758 -5.643 1.00 0.00 H new ATOM 148 N GLU A 73 -7.059 4.210 -7.019 1.00 0.00 N ATOM 149 CA GLU A 73 -8.255 3.596 -7.559 1.00 0.00 C ATOM 150 C GLU A 73 -8.054 2.084 -7.676 1.00 0.00 C ATOM 151 O GLU A 73 -7.505 1.591 -8.660 1.00 0.00 O ATOM 152 CB GLU A 73 -8.572 4.190 -8.914 1.00 0.00 C ATOM 153 CG GLU A 73 -9.890 4.936 -8.949 1.00 0.00 C ATOM 154 CD GLU A 73 -10.038 5.805 -10.182 1.00 0.00 C ATOM 155 OE1 GLU A 73 -9.515 6.939 -10.175 1.00 0.00 O ATOM 156 OE2 GLU A 73 -10.678 5.351 -11.154 1.00 0.00 O ATOM 0 H GLU A 73 -6.192 3.837 -7.405 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.092 3.789 -6.888 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.770 4.870 -9.201 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -8.594 3.392 -9.656 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.710 4.219 -8.915 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.974 5.559 -8.058 1.00 0.00 H new ATOM 163 N PRO A 74 -8.492 1.338 -6.652 1.00 0.00 N ATOM 164 CA PRO A 74 -8.374 -0.115 -6.583 1.00 0.00 C ATOM 165 C PRO A 74 -8.562 -0.802 -7.932 1.00 0.00 C ATOM 166 O PRO A 74 -9.533 -0.550 -8.644 1.00 0.00 O ATOM 167 CB PRO A 74 -9.494 -0.517 -5.606 1.00 0.00 C ATOM 168 CG PRO A 74 -10.105 0.763 -5.118 1.00 0.00 C ATOM 169 CD PRO A 74 -9.139 1.859 -5.462 1.00 0.00 C ATOM 0 HA PRO A 74 -7.377 -0.419 -6.265 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.239 -1.139 -6.103 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -9.095 -1.099 -4.775 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -11.071 0.936 -5.591 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.279 0.724 -4.043 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.648 2.803 -5.656 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.426 2.040 -4.658 1.00 0.00 H new ATOM 177 N SER A 75 -7.620 -1.679 -8.266 1.00 0.00 N ATOM 178 CA SER A 75 -7.664 -2.418 -9.522 1.00 0.00 C ATOM 179 C SER A 75 -7.507 -3.915 -9.271 1.00 0.00 C ATOM 180 O SER A 75 -8.202 -4.732 -9.875 1.00 0.00 O ATOM 181 CB SER A 75 -6.565 -1.928 -10.466 1.00 0.00 C ATOM 182 OG SER A 75 -6.577 -2.655 -11.683 1.00 0.00 O ATOM 0 H SER A 75 -6.813 -1.895 -7.680 1.00 0.00 H new ATOM 0 HA SER A 75 -8.634 -2.243 -9.987 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.704 -0.867 -10.671 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.593 -2.035 -9.984 1.00 0.00 H new ATOM 0 HG SER A 75 -5.866 -2.322 -12.270 1.00 0.00 H new ATOM 188 N HIS A 76 -6.590 -4.267 -8.372 1.00 0.00 N ATOM 189 CA HIS A 76 -6.344 -5.666 -8.038 1.00 0.00 C ATOM 190 C HIS A 76 -7.396 -6.181 -7.060 1.00 0.00 C ATOM 191 O HIS A 76 -8.045 -5.400 -6.363 1.00 0.00 O ATOM 192 CB HIS A 76 -4.945 -5.832 -7.438 1.00 0.00 C ATOM 193 CG HIS A 76 -3.892 -6.140 -8.457 1.00 0.00 C ATOM 194 ND1 HIS A 76 -2.945 -7.129 -8.287 1.00 0.00 N ATOM 195 CD2 HIS A 76 -3.638 -5.583 -9.665 1.00 0.00 C ATOM 196 CE1 HIS A 76 -2.155 -7.167 -9.345 1.00 0.00 C ATOM 197 NE2 HIS A 76 -2.555 -6.240 -10.196 1.00 0.00 N ATOM 0 H HIS A 76 -6.006 -3.603 -7.863 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.407 -6.251 -8.955 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -4.673 -4.917 -6.911 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -4.968 -6.632 -6.698 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -4.185 -4.773 -10.125 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -1.324 -7.841 -9.489 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -2.129 -6.044 -11.102 1.00 0.00 H new ATOM 206 N ASP A 77 -7.560 -7.499 -7.014 1.00 0.00 N ATOM 207 CA ASP A 77 -8.534 -8.117 -6.121 1.00 0.00 C ATOM 208 C ASP A 77 -8.136 -7.921 -4.662 1.00 0.00 C ATOM 209 O ASP A 77 -6.963 -8.030 -4.308 1.00 0.00 O ATOM 210 CB ASP A 77 -8.665 -9.609 -6.429 1.00 0.00 C ATOM 211 CG ASP A 77 -9.753 -9.895 -7.446 1.00 0.00 C ATOM 212 OD1 ASP A 77 -10.072 -8.990 -8.245 1.00 0.00 O ATOM 213 OD2 ASP A 77 -10.284 -11.026 -7.445 1.00 0.00 O ATOM 0 H ASP A 77 -7.032 -8.159 -7.584 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.497 -7.633 -6.285 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.713 -9.985 -6.804 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.881 -10.150 -5.508 1.00 0.00 H new ATOM 218 N GLY A 78 -9.122 -7.633 -3.817 1.00 0.00 N ATOM 219 CA GLY A 78 -8.852 -7.429 -2.406 1.00 0.00 C ATOM 220 C GLY A 78 -7.998 -6.205 -2.149 1.00 0.00 C ATOM 221 O GLY A 78 -7.104 -6.233 -1.304 1.00 0.00 O ATOM 0 H GLY A 78 -10.102 -7.538 -4.084 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.796 -7.328 -1.870 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.350 -8.309 -2.005 1.00 0.00 H new ATOM 225 N ASP A 79 -8.272 -5.125 -2.876 1.00 0.00 N ATOM 226 CA ASP A 79 -7.516 -3.890 -2.717 1.00 0.00 C ATOM 227 C ASP A 79 -8.357 -2.815 -2.038 1.00 0.00 C ATOM 228 O ASP A 79 -9.586 -2.839 -2.098 1.00 0.00 O ATOM 229 CB ASP A 79 -7.022 -3.385 -4.072 1.00 0.00 C ATOM 230 CG ASP A 79 -5.970 -4.293 -4.673 1.00 0.00 C ATOM 231 OD1 ASP A 79 -6.192 -5.522 -4.703 1.00 0.00 O ATOM 232 OD2 ASP A 79 -4.923 -3.776 -5.112 1.00 0.00 O ATOM 0 H ASP A 79 -9.010 -5.082 -3.579 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.656 -4.106 -2.083 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -7.866 -3.306 -4.758 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -6.610 -2.382 -3.956 1.00 0.00 H new ATOM 237 N LEU A 80 -7.677 -1.875 -1.399 1.00 0.00 N ATOM 238 CA LEU A 80 -8.339 -0.777 -0.708 1.00 0.00 C ATOM 239 C LEU A 80 -8.071 0.536 -1.436 1.00 0.00 C ATOM 240 O LEU A 80 -6.933 0.833 -1.799 1.00 0.00 O ATOM 241 CB LEU A 80 -7.848 -0.701 0.746 1.00 0.00 C ATOM 242 CG LEU A 80 -7.921 0.680 1.402 1.00 0.00 C ATOM 243 CD1 LEU A 80 -9.368 1.108 1.603 1.00 0.00 C ATOM 244 CD2 LEU A 80 -7.177 0.679 2.729 1.00 0.00 C ATOM 0 H LEU A 80 -6.659 -1.851 -1.344 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.414 -0.954 -0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.434 -1.398 1.345 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.814 -1.044 0.779 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.443 1.399 0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.395 2.092 2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.872 1.151 0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.875 0.387 2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.239 1.669 3.182 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.627 -0.055 3.398 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.131 0.422 2.560 1.00 0.00 H new ATOM 256 N GLY A 81 -9.122 1.318 -1.646 1.00 0.00 N ATOM 257 CA GLY A 81 -8.969 2.586 -2.330 1.00 0.00 C ATOM 258 C GLY A 81 -8.865 3.749 -1.372 1.00 0.00 C ATOM 259 O GLY A 81 -9.486 3.749 -0.309 1.00 0.00 O ATOM 0 H GLY A 81 -10.075 1.097 -1.356 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.077 2.553 -2.955 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.818 2.742 -2.995 1.00 0.00 H new ATOM 263 N PHE A 82 -8.075 4.743 -1.750 1.00 0.00 N ATOM 264 CA PHE A 82 -7.882 5.922 -0.923 1.00 0.00 C ATOM 265 C PHE A 82 -7.586 7.138 -1.782 1.00 0.00 C ATOM 266 O PHE A 82 -7.495 7.042 -3.005 1.00 0.00 O ATOM 267 CB PHE A 82 -6.740 5.704 0.070 1.00 0.00 C ATOM 268 CG PHE A 82 -5.574 4.937 -0.496 1.00 0.00 C ATOM 269 CD1 PHE A 82 -5.688 3.588 -0.785 1.00 0.00 C ATOM 270 CD2 PHE A 82 -4.363 5.569 -0.740 1.00 0.00 C ATOM 271 CE1 PHE A 82 -4.619 2.884 -1.304 1.00 0.00 C ATOM 272 CE2 PHE A 82 -3.290 4.866 -1.260 1.00 0.00 C ATOM 273 CZ PHE A 82 -3.420 3.522 -1.541 1.00 0.00 C ATOM 0 H PHE A 82 -7.556 4.755 -2.628 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.805 6.096 -0.369 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.388 6.674 0.421 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.125 5.171 0.939 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.624 3.080 -0.603 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.256 6.621 -0.522 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.723 1.832 -1.525 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.352 5.369 -1.445 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.584 2.971 -1.946 1.00 0.00 H new ATOM 283 N GLU A 83 -7.439 8.281 -1.132 1.00 0.00 N ATOM 284 CA GLU A 83 -7.155 9.518 -1.834 1.00 0.00 C ATOM 285 C GLU A 83 -5.727 9.975 -1.564 1.00 0.00 C ATOM 286 O GLU A 83 -5.014 9.376 -0.761 1.00 0.00 O ATOM 287 CB GLU A 83 -8.142 10.595 -1.390 1.00 0.00 C ATOM 288 CG GLU A 83 -9.205 10.906 -2.427 1.00 0.00 C ATOM 289 CD GLU A 83 -9.403 12.395 -2.634 1.00 0.00 C ATOM 290 OE1 GLU A 83 -8.691 12.977 -3.478 1.00 0.00 O ATOM 291 OE2 GLU A 83 -10.271 12.978 -1.951 1.00 0.00 O ATOM 0 H GLU A 83 -7.512 8.376 -0.119 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.262 9.346 -2.905 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.628 10.274 -0.468 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.592 11.508 -1.160 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.928 10.445 -3.375 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.149 10.457 -2.119 1.00 0.00 H new ATOM 298 N LYS A 84 -5.318 11.050 -2.225 1.00 0.00 N ATOM 299 CA LYS A 84 -3.984 11.589 -2.027 1.00 0.00 C ATOM 300 C LYS A 84 -3.929 12.292 -0.675 1.00 0.00 C ATOM 301 O LYS A 84 -4.825 13.062 -0.329 1.00 0.00 O ATOM 302 CB LYS A 84 -3.617 12.537 -3.169 1.00 0.00 C ATOM 303 CG LYS A 84 -2.419 13.423 -2.870 1.00 0.00 C ATOM 304 CD LYS A 84 -2.330 14.584 -3.841 1.00 0.00 C ATOM 305 CE LYS A 84 -1.030 15.353 -3.674 1.00 0.00 C ATOM 306 NZ LYS A 84 -1.045 16.641 -4.421 1.00 0.00 N ATOM 0 H LYS A 84 -5.889 11.561 -2.898 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.253 10.781 -2.031 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.409 11.950 -4.063 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.476 13.168 -3.395 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.492 13.804 -1.851 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.505 12.831 -2.924 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.405 14.211 -4.863 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.174 15.256 -3.684 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.858 15.549 -2.616 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.199 14.741 -4.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.140 17.134 -4.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.183 16.453 -5.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.822 17.237 -4.070 1.00 0.00 H new ATOM 320 N GLY A 85 -2.900 11.988 0.104 1.00 0.00 N ATOM 321 CA GLY A 85 -2.781 12.564 1.433 1.00 0.00 C ATOM 322 C GLY A 85 -3.622 11.804 2.442 1.00 0.00 C ATOM 323 O GLY A 85 -3.485 12.001 3.649 1.00 0.00 O ATOM 0 H GLY A 85 -2.145 11.354 -0.158 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.737 12.552 1.745 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.094 13.608 1.408 1.00 0.00 H new ATOM 327 N GLU A 86 -4.481 10.913 1.942 1.00 0.00 N ATOM 328 CA GLU A 86 -5.330 10.100 2.796 1.00 0.00 C ATOM 329 C GLU A 86 -4.473 9.303 3.758 1.00 0.00 C ATOM 330 O GLU A 86 -3.265 9.187 3.569 1.00 0.00 O ATOM 331 CB GLU A 86 -6.162 9.140 1.940 1.00 0.00 C ATOM 332 CG GLU A 86 -7.589 8.894 2.415 1.00 0.00 C ATOM 333 CD GLU A 86 -8.007 9.740 3.605 1.00 0.00 C ATOM 334 OE1 GLU A 86 -8.414 10.903 3.393 1.00 0.00 O ATOM 335 OE2 GLU A 86 -7.927 9.239 4.746 1.00 0.00 O ATOM 0 H GLU A 86 -4.602 10.740 0.944 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.998 10.753 3.359 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.200 9.530 0.923 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.644 8.182 1.895 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.273 9.088 1.589 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.696 7.841 2.677 1.00 0.00 H new ATOM 342 N GLN A 87 -5.098 8.750 4.779 1.00 0.00 N ATOM 343 CA GLN A 87 -4.371 7.959 5.758 1.00 0.00 C ATOM 344 C GLN A 87 -4.936 6.557 5.858 1.00 0.00 C ATOM 345 O GLN A 87 -6.136 6.333 5.704 1.00 0.00 O ATOM 346 CB GLN A 87 -4.390 8.631 7.127 1.00 0.00 C ATOM 347 CG GLN A 87 -4.140 10.127 7.066 1.00 0.00 C ATOM 348 CD GLN A 87 -4.980 10.903 8.062 1.00 0.00 C ATOM 349 OE1 GLN A 87 -5.710 11.822 7.693 1.00 0.00 O ATOM 350 NE2 GLN A 87 -4.878 10.535 9.334 1.00 0.00 N ATOM 0 H GLN A 87 -6.100 8.831 4.954 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.337 7.890 5.419 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.356 8.450 7.599 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.633 8.169 7.761 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.085 10.323 7.257 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.354 10.486 6.059 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -4.260 9.767 9.595 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -5.418 11.021 10.050 1.00 0.00 H new ATOM 359 N LEU A 88 -4.045 5.622 6.119 1.00 0.00 N ATOM 360 CA LEU A 88 -4.406 4.218 6.249 1.00 0.00 C ATOM 361 C LEU A 88 -3.522 3.543 7.272 1.00 0.00 C ATOM 362 O LEU A 88 -2.296 3.605 7.190 1.00 0.00 O ATOM 363 CB LEU A 88 -4.267 3.477 4.920 1.00 0.00 C ATOM 364 CG LEU A 88 -4.458 4.318 3.661 1.00 0.00 C ATOM 365 CD1 LEU A 88 -3.360 4.013 2.656 1.00 0.00 C ATOM 366 CD2 LEU A 88 -5.828 4.052 3.063 1.00 0.00 C ATOM 0 H LEU A 88 -3.051 5.810 6.247 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.448 4.181 6.567 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.277 3.022 4.882 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.992 2.664 4.903 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.396 5.374 3.923 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.507 4.619 1.762 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.390 4.244 3.096 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.395 2.957 2.388 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.956 4.656 2.165 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.914 2.996 2.806 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.599 4.312 3.789 1.00 0.00 H new ATOM 378 N ARG A 89 -4.149 2.881 8.219 1.00 0.00 N ATOM 379 CA ARG A 89 -3.427 2.175 9.242 1.00 0.00 C ATOM 380 C ARG A 89 -2.952 0.840 8.686 1.00 0.00 C ATOM 381 O ARG A 89 -3.734 -0.096 8.522 1.00 0.00 O ATOM 382 CB ARG A 89 -4.318 1.986 10.458 1.00 0.00 C ATOM 383 CG ARG A 89 -3.768 0.990 11.439 1.00 0.00 C ATOM 384 CD ARG A 89 -4.633 0.908 12.676 1.00 0.00 C ATOM 385 NE ARG A 89 -3.932 0.286 13.793 1.00 0.00 N ATOM 386 CZ ARG A 89 -4.542 -0.318 14.811 1.00 0.00 C ATOM 387 NH1 ARG A 89 -5.867 -0.377 14.862 1.00 0.00 N ATOM 388 NH2 ARG A 89 -3.825 -0.863 15.783 1.00 0.00 N ATOM 0 H ARG A 89 -5.164 2.820 8.298 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.554 2.749 9.553 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.450 2.946 10.958 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -5.305 1.659 10.131 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.706 0.008 10.969 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.754 1.273 11.719 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.953 1.910 12.962 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.534 0.338 12.451 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.912 0.315 13.795 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -6.425 0.042 14.118 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -6.327 -0.841 15.645 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.806 -0.820 15.751 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -4.292 -1.326 16.563 1.00 0.00 H new ATOM 402 N ILE A 90 -1.671 0.782 8.365 1.00 0.00 N ATOM 403 CA ILE A 90 -1.076 -0.410 7.783 1.00 0.00 C ATOM 404 C ILE A 90 -1.210 -1.622 8.690 1.00 0.00 C ATOM 405 O ILE A 90 -0.579 -1.708 9.743 1.00 0.00 O ATOM 406 CB ILE A 90 0.412 -0.189 7.437 1.00 0.00 C ATOM 407 CG1 ILE A 90 0.584 1.096 6.630 1.00 0.00 C ATOM 408 CG2 ILE A 90 0.962 -1.368 6.656 1.00 0.00 C ATOM 409 CD1 ILE A 90 -0.098 1.061 5.279 1.00 0.00 C ATOM 0 H ILE A 90 -1.017 1.554 8.499 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.630 -0.607 6.865 1.00 0.00 H new ATOM 0 HB ILE A 90 0.969 -0.099 8.370 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.188 1.932 7.206 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.648 1.284 6.486 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.012 -1.192 6.422 1.00 0.00 H new ATOM 0 HG22 ILE A 90 0.871 -2.275 7.254 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.399 -1.486 5.730 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.067 2.007 4.763 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.315 0.246 4.684 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.168 0.904 5.416 1.00 0.00 H new ATOM 421 N LEU A 91 -2.023 -2.567 8.242 1.00 0.00 N ATOM 422 CA LEU A 91 -2.245 -3.806 8.965 1.00 0.00 C ATOM 423 C LEU A 91 -1.077 -4.736 8.695 1.00 0.00 C ATOM 424 O LEU A 91 -0.487 -5.313 9.609 1.00 0.00 O ATOM 425 CB LEU A 91 -3.553 -4.437 8.493 1.00 0.00 C ATOM 426 CG LEU A 91 -4.715 -3.449 8.365 1.00 0.00 C ATOM 427 CD1 LEU A 91 -5.962 -4.129 7.823 1.00 0.00 C ATOM 428 CD2 LEU A 91 -5.000 -2.784 9.703 1.00 0.00 C ATOM 0 H LEU A 91 -2.545 -2.495 7.369 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.317 -3.618 10.036 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.386 -4.912 7.526 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.836 -5.225 9.191 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.423 -2.678 7.652 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.769 -3.400 7.744 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.751 -4.545 6.838 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.262 -4.931 8.498 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.829 -2.085 9.593 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.262 -3.544 10.439 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.113 -2.245 10.038 1.00 0.00 H new ATOM 440 N GLU A 92 -0.736 -4.833 7.421 1.00 0.00 N ATOM 441 CA GLU A 92 0.381 -5.642 6.970 1.00 0.00 C ATOM 442 C GLU A 92 1.090 -4.929 5.829 1.00 0.00 C ATOM 443 O GLU A 92 0.497 -4.088 5.156 1.00 0.00 O ATOM 444 CB GLU A 92 -0.085 -7.028 6.537 1.00 0.00 C ATOM 445 CG GLU A 92 0.458 -8.131 7.425 1.00 0.00 C ATOM 446 CD GLU A 92 -0.633 -8.875 8.170 1.00 0.00 C ATOM 447 OE1 GLU A 92 -1.771 -8.926 7.660 1.00 0.00 O ATOM 448 OE2 GLU A 92 -0.349 -9.404 9.265 1.00 0.00 O ATOM 0 H GLU A 92 -1.228 -4.351 6.669 1.00 0.00 H new ATOM 0 HA GLU A 92 1.078 -5.776 7.797 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.174 -7.061 6.549 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.228 -7.208 5.509 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.022 -8.837 6.816 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.156 -7.702 8.144 1.00 0.00 H new ATOM 455 N GLN A 93 2.363 -5.236 5.627 1.00 0.00 N ATOM 456 CA GLN A 93 3.127 -4.582 4.578 1.00 0.00 C ATOM 457 C GLN A 93 4.072 -5.551 3.882 1.00 0.00 C ATOM 458 O GLN A 93 5.186 -5.186 3.506 1.00 0.00 O ATOM 459 CB GLN A 93 3.906 -3.412 5.164 1.00 0.00 C ATOM 460 CG GLN A 93 4.239 -3.602 6.616 1.00 0.00 C ATOM 461 CD GLN A 93 4.936 -2.404 7.231 1.00 0.00 C ATOM 462 OE1 GLN A 93 4.296 -1.537 7.825 1.00 0.00 O ATOM 463 NE2 GLN A 93 6.255 -2.351 7.089 1.00 0.00 N ATOM 0 H GLN A 93 2.883 -5.926 6.169 1.00 0.00 H new ATOM 0 HA GLN A 93 2.426 -4.214 3.828 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.828 -3.277 4.599 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.323 -2.498 5.046 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.322 -3.804 7.169 1.00 0.00 H new ATOM 0 HG3 GLN A 93 4.876 -4.480 6.724 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.744 -3.093 6.588 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.779 -1.568 7.481 1.00 0.00 H new ATOM 472 N SER A 94 3.616 -6.781 3.700 1.00 0.00 N ATOM 473 CA SER A 94 4.417 -7.793 3.034 1.00 0.00 C ATOM 474 C SER A 94 4.268 -7.675 1.524 1.00 0.00 C ATOM 475 O SER A 94 3.156 -7.575 1.006 1.00 0.00 O ATOM 476 CB SER A 94 4.010 -9.190 3.507 1.00 0.00 C ATOM 477 OG SER A 94 3.743 -10.056 2.416 1.00 0.00 O ATOM 0 H SER A 94 2.696 -7.101 4.004 1.00 0.00 H new ATOM 0 HA SER A 94 5.464 -7.634 3.291 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.806 -9.613 4.121 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.125 -9.117 4.139 1.00 0.00 H new ATOM 0 HG SER A 94 3.488 -10.940 2.755 1.00 0.00 H new ATOM 483 N GLY A 95 5.392 -7.685 0.823 1.00 0.00 N ATOM 484 CA GLY A 95 5.358 -7.576 -0.622 1.00 0.00 C ATOM 485 C GLY A 95 5.046 -6.181 -1.100 1.00 0.00 C ATOM 486 O GLY A 95 4.604 -5.327 -0.332 1.00 0.00 O ATOM 0 H GLY A 95 6.325 -7.766 1.227 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.321 -7.886 -1.027 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.610 -8.265 -1.015 1.00 0.00 H new ATOM 490 N GLU A 96 5.276 -5.964 -2.386 1.00 0.00 N ATOM 491 CA GLU A 96 5.025 -4.682 -3.020 1.00 0.00 C ATOM 492 C GLU A 96 3.638 -4.133 -2.657 1.00 0.00 C ATOM 493 O GLU A 96 3.388 -2.937 -2.778 1.00 0.00 O ATOM 494 CB GLU A 96 5.167 -4.839 -4.528 1.00 0.00 C ATOM 495 CG GLU A 96 4.170 -4.024 -5.294 1.00 0.00 C ATOM 496 CD GLU A 96 4.408 -4.039 -6.791 1.00 0.00 C ATOM 497 OE1 GLU A 96 5.570 -3.846 -7.210 1.00 0.00 O ATOM 498 OE2 GLU A 96 3.435 -4.243 -7.545 1.00 0.00 O ATOM 0 H GLU A 96 5.643 -6.674 -3.019 1.00 0.00 H new ATOM 0 HA GLU A 96 5.757 -3.961 -2.656 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.174 -4.546 -4.826 1.00 0.00 H new ATOM 0 HB3 GLU A 96 5.049 -5.890 -4.792 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.168 -4.401 -5.088 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.202 -2.994 -4.938 1.00 0.00 H new ATOM 505 N TRP A 97 2.739 -5.009 -2.223 1.00 0.00 N ATOM 506 CA TRP A 97 1.393 -4.592 -1.852 1.00 0.00 C ATOM 507 C TRP A 97 1.187 -4.700 -0.344 1.00 0.00 C ATOM 508 O TRP A 97 1.284 -5.784 0.230 1.00 0.00 O ATOM 509 CB TRP A 97 0.362 -5.437 -2.594 1.00 0.00 C ATOM 510 CG TRP A 97 0.205 -5.034 -4.028 1.00 0.00 C ATOM 511 CD1 TRP A 97 0.954 -5.459 -5.086 1.00 0.00 C ATOM 512 CD2 TRP A 97 -0.752 -4.111 -4.559 1.00 0.00 C ATOM 513 NE1 TRP A 97 0.526 -4.853 -6.242 1.00 0.00 N ATOM 514 CE2 TRP A 97 -0.521 -4.021 -5.944 1.00 0.00 C ATOM 515 CE3 TRP A 97 -1.780 -3.351 -3.995 1.00 0.00 C ATOM 516 CZ2 TRP A 97 -1.281 -3.199 -6.772 1.00 0.00 C ATOM 517 CZ3 TRP A 97 -2.533 -2.537 -4.818 1.00 0.00 C ATOM 518 CH2 TRP A 97 -2.280 -2.466 -6.194 1.00 0.00 C ATOM 0 H TRP A 97 2.917 -6.008 -2.120 1.00 0.00 H new ATOM 0 HA TRP A 97 1.263 -3.548 -2.136 1.00 0.00 H new ATOM 0 HB2 TRP A 97 0.656 -6.486 -2.546 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.601 -5.353 -2.090 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.766 -6.169 -5.024 1.00 0.00 H new ATOM 0 HE1 TRP A 97 0.923 -4.999 -7.170 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -1.982 -3.399 -2.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -1.088 -3.142 -7.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -3.330 -1.945 -4.394 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -2.886 -1.819 -6.811 1.00 0.00 H new ATOM 529 N TRP A 98 0.917 -3.563 0.297 1.00 0.00 N ATOM 530 CA TRP A 98 0.715 -3.526 1.741 1.00 0.00 C ATOM 531 C TRP A 98 -0.761 -3.473 2.110 1.00 0.00 C ATOM 532 O TRP A 98 -1.560 -2.815 1.444 1.00 0.00 O ATOM 533 CB TRP A 98 1.422 -2.317 2.342 1.00 0.00 C ATOM 534 CG TRP A 98 2.914 -2.408 2.282 1.00 0.00 C ATOM 535 CD1 TRP A 98 3.656 -3.432 1.776 1.00 0.00 C ATOM 536 CD2 TRP A 98 3.840 -1.432 2.750 1.00 0.00 C ATOM 537 NE1 TRP A 98 4.996 -3.153 1.906 1.00 0.00 N ATOM 538 CE2 TRP A 98 5.133 -1.923 2.501 1.00 0.00 C ATOM 539 CE3 TRP A 98 3.693 -0.189 3.355 1.00 0.00 C ATOM 540 CZ2 TRP A 98 6.278 -1.205 2.840 1.00 0.00 C ATOM 541 CZ3 TRP A 98 4.824 0.528 3.693 1.00 0.00 C ATOM 542 CH2 TRP A 98 6.104 0.018 3.433 1.00 0.00 C ATOM 0 H TRP A 98 0.834 -2.656 -0.163 1.00 0.00 H new ATOM 0 HA TRP A 98 1.136 -4.446 2.146 1.00 0.00 H new ATOM 0 HB2 TRP A 98 1.099 -1.419 1.816 1.00 0.00 H new ATOM 0 HB3 TRP A 98 1.114 -2.206 3.382 1.00 0.00 H new ATOM 0 HD1 TRP A 98 3.251 -4.332 1.337 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.761 -3.759 1.610 1.00 0.00 H new ATOM 0 HE3 TRP A 98 2.710 0.210 3.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 7.265 -1.597 2.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 4.721 1.494 4.164 1.00 0.00 H new ATOM 0 HH2 TRP A 98 6.971 0.601 3.706 1.00 0.00 H new ATOM 553 N LYS A 99 -1.103 -4.150 3.199 1.00 0.00 N ATOM 554 CA LYS A 99 -2.468 -4.168 3.697 1.00 0.00 C ATOM 555 C LYS A 99 -2.679 -2.993 4.644 1.00 0.00 C ATOM 556 O LYS A 99 -2.059 -2.928 5.704 1.00 0.00 O ATOM 557 CB LYS A 99 -2.748 -5.484 4.429 1.00 0.00 C ATOM 558 CG LYS A 99 -4.101 -5.533 5.121 1.00 0.00 C ATOM 559 CD LYS A 99 -5.163 -4.842 4.301 1.00 0.00 C ATOM 560 CE LYS A 99 -6.558 -5.282 4.713 1.00 0.00 C ATOM 561 NZ LYS A 99 -7.283 -5.961 3.603 1.00 0.00 N ATOM 0 H LYS A 99 -0.447 -4.697 3.756 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.155 -4.084 2.855 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.687 -6.305 3.715 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -1.966 -5.648 5.171 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.388 -6.571 5.290 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.028 -5.059 6.100 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.071 -3.762 4.420 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.008 -5.061 3.244 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.487 -5.957 5.566 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.129 -4.414 5.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.214 -5.515 3.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.732 -5.876 2.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.410 -6.967 3.835 1.00 0.00 H new ATOM 575 N ALA A 100 -3.543 -2.062 4.261 1.00 0.00 N ATOM 576 CA ALA A 100 -3.805 -0.897 5.093 1.00 0.00 C ATOM 577 C ALA A 100 -5.269 -0.792 5.464 1.00 0.00 C ATOM 578 O ALA A 100 -6.149 -1.081 4.655 1.00 0.00 O ATOM 579 CB ALA A 100 -3.366 0.379 4.390 1.00 0.00 C ATOM 0 H ALA A 100 -4.069 -2.090 3.388 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.226 -1.022 6.008 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.572 1.237 5.031 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -2.297 0.330 4.181 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -3.914 0.486 3.454 1.00 0.00 H new ATOM 585 N GLN A 101 -5.521 -0.335 6.681 1.00 0.00 N ATOM 586 CA GLN A 101 -6.875 -0.143 7.142 1.00 0.00 C ATOM 587 C GLN A 101 -7.136 1.343 7.233 1.00 0.00 C ATOM 588 O GLN A 101 -6.568 2.035 8.078 1.00 0.00 O ATOM 589 CB GLN A 101 -7.109 -0.809 8.497 1.00 0.00 C ATOM 590 CG GLN A 101 -8.450 -0.469 9.106 1.00 0.00 C ATOM 591 CD GLN A 101 -8.534 -0.810 10.581 1.00 0.00 C ATOM 592 OE1 GLN A 101 -9.018 -1.878 10.957 1.00 0.00 O ATOM 593 NE2 GLN A 101 -8.059 0.098 11.426 1.00 0.00 N ATOM 0 H GLN A 101 -4.802 -0.092 7.362 1.00 0.00 H new ATOM 0 HA GLN A 101 -7.563 -0.609 6.437 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -7.034 -1.890 8.381 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -6.319 -0.507 9.184 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -8.644 0.595 8.973 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.233 -1.005 8.570 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -7.667 0.970 11.070 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -8.087 -0.076 12.431 1.00 0.00 H new ATOM 602 N SER A 102 -7.988 1.835 6.354 1.00 0.00 N ATOM 603 CA SER A 102 -8.315 3.239 6.326 1.00 0.00 C ATOM 604 C SER A 102 -8.684 3.720 7.721 1.00 0.00 C ATOM 605 O SER A 102 -8.865 2.914 8.635 1.00 0.00 O ATOM 606 CB SER A 102 -9.454 3.462 5.345 1.00 0.00 C ATOM 607 OG SER A 102 -9.015 4.171 4.199 1.00 0.00 O ATOM 0 H SER A 102 -8.466 1.276 5.648 1.00 0.00 H new ATOM 0 HA SER A 102 -7.451 3.816 5.997 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.870 2.501 5.043 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.255 4.017 5.834 1.00 0.00 H new ATOM 0 HG SER A 102 -9.768 4.298 3.585 1.00 0.00 H new ATOM 613 N LEU A 103 -8.765 5.024 7.896 1.00 0.00 N ATOM 614 CA LEU A 103 -9.089 5.579 9.202 1.00 0.00 C ATOM 615 C LEU A 103 -10.286 6.514 9.143 1.00 0.00 C ATOM 616 O LEU A 103 -10.977 6.716 10.142 1.00 0.00 O ATOM 617 CB LEU A 103 -7.871 6.276 9.773 1.00 0.00 C ATOM 618 CG LEU A 103 -6.799 5.304 10.267 1.00 0.00 C ATOM 619 CD1 LEU A 103 -5.735 5.122 9.205 1.00 0.00 C ATOM 620 CD2 LEU A 103 -6.182 5.762 11.577 1.00 0.00 C ATOM 0 H LEU A 103 -8.613 5.715 7.162 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.371 4.759 9.863 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.441 6.925 9.010 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.180 6.916 10.599 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.278 4.344 10.457 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.976 4.428 9.566 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.190 4.723 8.299 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.272 6.084 8.985 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -5.425 5.044 11.893 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.720 6.739 11.439 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.958 5.832 12.340 1.00 0.00 H new ATOM 632 N THR A 104 -10.548 7.059 7.968 1.00 0.00 N ATOM 633 CA THR A 104 -11.680 7.939 7.778 1.00 0.00 C ATOM 634 C THR A 104 -12.923 7.099 7.539 1.00 0.00 C ATOM 635 O THR A 104 -14.003 7.369 8.064 1.00 0.00 O ATOM 636 CB THR A 104 -11.424 8.847 6.585 1.00 0.00 C ATOM 637 OG1 THR A 104 -10.059 9.220 6.517 1.00 0.00 O ATOM 638 CG2 THR A 104 -12.241 10.102 6.631 1.00 0.00 C ATOM 0 H THR A 104 -9.988 6.905 7.130 1.00 0.00 H new ATOM 0 HA THR A 104 -11.825 8.556 8.664 1.00 0.00 H new ATOM 0 HB THR A 104 -11.710 8.270 5.706 1.00 0.00 H new ATOM 0 HG1 THR A 104 -9.700 8.988 5.635 1.00 0.00 H new ATOM 0 HG21 THR A 104 -12.019 10.713 5.756 1.00 0.00 H new ATOM 0 HG22 THR A 104 -13.301 9.846 6.636 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.999 10.661 7.535 1.00 0.00 H new ATOM 646 N THR A 105 -12.726 6.065 6.741 1.00 0.00 N ATOM 647 CA THR A 105 -13.765 5.114 6.382 1.00 0.00 C ATOM 648 C THR A 105 -13.501 3.791 7.084 1.00 0.00 C ATOM 649 O THR A 105 -14.410 3.077 7.505 1.00 0.00 O ATOM 650 CB THR A 105 -13.729 4.901 4.877 1.00 0.00 C ATOM 651 OG1 THR A 105 -12.885 3.812 4.539 1.00 0.00 O ATOM 652 CG2 THR A 105 -13.238 6.110 4.112 1.00 0.00 C ATOM 0 H THR A 105 -11.822 5.858 6.316 1.00 0.00 H new ATOM 0 HA THR A 105 -14.741 5.495 6.683 1.00 0.00 H new ATOM 0 HB THR A 105 -14.763 4.703 4.593 1.00 0.00 H new ATOM 0 HG1 THR A 105 -12.494 3.964 3.653 1.00 0.00 H new ATOM 0 HG21 THR A 105 -13.237 5.890 3.045 1.00 0.00 H new ATOM 0 HG22 THR A 105 -13.897 6.956 4.307 1.00 0.00 H new ATOM 0 HG23 THR A 105 -12.226 6.357 4.432 1.00 0.00 H new ATOM 660 N GLY A 106 -12.218 3.503 7.183 1.00 0.00 N ATOM 661 CA GLY A 106 -11.724 2.305 7.802 1.00 0.00 C ATOM 662 C GLY A 106 -11.759 1.101 6.892 1.00 0.00 C ATOM 663 O GLY A 106 -11.351 0.009 7.287 1.00 0.00 O ATOM 0 H GLY A 106 -11.482 4.112 6.826 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -10.699 2.472 8.132 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -12.316 2.095 8.693 1.00 0.00 H new ATOM 667 N GLN A 107 -12.228 1.291 5.664 1.00 0.00 N ATOM 668 CA GLN A 107 -12.288 0.216 4.706 1.00 0.00 C ATOM 669 C GLN A 107 -10.951 -0.492 4.596 1.00 0.00 C ATOM 670 O GLN A 107 -9.923 0.124 4.317 1.00 0.00 O ATOM 671 CB GLN A 107 -12.730 0.767 3.373 1.00 0.00 C ATOM 672 CG GLN A 107 -14.232 0.834 3.272 1.00 0.00 C ATOM 673 CD GLN A 107 -14.780 2.232 3.468 1.00 0.00 C ATOM 674 OE1 GLN A 107 -15.321 2.556 4.526 1.00 0.00 O ATOM 675 NE2 GLN A 107 -14.647 3.068 2.446 1.00 0.00 N ATOM 0 H GLN A 107 -12.571 2.186 5.316 1.00 0.00 H new ATOM 0 HA GLN A 107 -13.013 -0.526 5.041 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.310 1.763 3.233 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -12.338 0.141 2.572 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -14.541 0.463 2.295 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -14.670 0.171 4.018 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -14.192 2.756 1.588 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -15.000 4.022 2.518 1.00 0.00 H new ATOM 684 N GLU A 108 -10.976 -1.789 4.845 1.00 0.00 N ATOM 685 CA GLU A 108 -9.764 -2.597 4.803 1.00 0.00 C ATOM 686 C GLU A 108 -9.502 -3.143 3.406 1.00 0.00 C ATOM 687 O GLU A 108 -10.431 -3.455 2.661 1.00 0.00 O ATOM 688 CB GLU A 108 -9.860 -3.744 5.806 1.00 0.00 C ATOM 689 CG GLU A 108 -10.045 -3.281 7.238 1.00 0.00 C ATOM 690 CD GLU A 108 -11.224 -3.945 7.923 1.00 0.00 C ATOM 691 OE1 GLU A 108 -12.263 -4.142 7.259 1.00 0.00 O ATOM 692 OE2 GLU A 108 -11.107 -4.270 9.124 1.00 0.00 O ATOM 0 H GLU A 108 -11.822 -2.309 5.079 1.00 0.00 H new ATOM 0 HA GLU A 108 -8.926 -1.953 5.072 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.695 -4.389 5.530 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -8.955 -4.349 5.742 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -9.137 -3.491 7.803 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -10.185 -2.200 7.250 1.00 0.00 H new ATOM 699 N GLY A 109 -8.223 -3.255 3.061 1.00 0.00 N ATOM 700 CA GLY A 109 -7.846 -3.763 1.758 1.00 0.00 C ATOM 701 C GLY A 109 -6.362 -3.604 1.490 1.00 0.00 C ATOM 702 O GLY A 109 -5.631 -3.054 2.312 1.00 0.00 O ATOM 0 H GLY A 109 -7.440 -3.002 3.664 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.115 -4.817 1.689 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.411 -3.238 0.988 1.00 0.00 H new ATOM 706 N PHE A 110 -5.922 -4.085 0.337 1.00 0.00 N ATOM 707 CA PHE A 110 -4.526 -3.998 -0.046 1.00 0.00 C ATOM 708 C PHE A 110 -4.240 -2.657 -0.710 1.00 0.00 C ATOM 709 O PHE A 110 -5.144 -2.021 -1.247 1.00 0.00 O ATOM 710 CB PHE A 110 -4.188 -5.143 -0.996 1.00 0.00 C ATOM 711 CG PHE A 110 -3.606 -6.344 -0.306 1.00 0.00 C ATOM 712 CD1 PHE A 110 -4.174 -6.831 0.863 1.00 0.00 C ATOM 713 CD2 PHE A 110 -2.494 -6.987 -0.824 1.00 0.00 C ATOM 714 CE1 PHE A 110 -3.641 -7.935 1.499 1.00 0.00 C ATOM 715 CE2 PHE A 110 -1.957 -8.093 -0.192 1.00 0.00 C ATOM 716 CZ PHE A 110 -2.532 -8.567 0.972 1.00 0.00 C ATOM 0 H PHE A 110 -6.519 -4.542 -0.352 1.00 0.00 H new ATOM 0 HA PHE A 110 -3.905 -4.076 0.846 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -5.091 -5.442 -1.528 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -3.481 -4.786 -1.745 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -5.042 -6.342 1.280 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -2.041 -6.620 -1.733 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.092 -8.304 2.409 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -1.090 -8.586 -0.607 1.00 0.00 H new ATOM 0 HZ PHE A 110 -2.115 -9.430 1.469 1.00 0.00 H new ATOM 726 N ILE A 111 -2.990 -2.220 -0.663 1.00 0.00 N ATOM 727 CA ILE A 111 -2.624 -0.942 -1.257 1.00 0.00 C ATOM 728 C ILE A 111 -1.183 -0.930 -1.756 1.00 0.00 C ATOM 729 O ILE A 111 -0.288 -1.515 -1.144 1.00 0.00 O ATOM 730 CB ILE A 111 -2.805 0.210 -0.248 1.00 0.00 C ATOM 731 CG1 ILE A 111 -1.869 0.008 0.943 1.00 0.00 C ATOM 732 CG2 ILE A 111 -4.255 0.299 0.209 1.00 0.00 C ATOM 733 CD1 ILE A 111 -1.365 1.294 1.556 1.00 0.00 C ATOM 0 H ILE A 111 -2.219 -2.725 -0.225 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.291 -0.800 -2.108 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.550 1.151 -0.735 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.391 -0.567 1.708 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -1.015 -0.589 0.623 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.363 1.118 0.921 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.898 0.480 -0.653 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.544 -0.637 0.687 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.708 1.064 2.394 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.813 1.862 0.807 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -2.210 1.885 1.909 1.00 0.00 H new ATOM 745 N PRO A 112 -0.948 -0.234 -2.873 1.00 0.00 N ATOM 746 CA PRO A 112 0.376 -0.100 -3.466 1.00 0.00 C ATOM 747 C PRO A 112 1.391 0.415 -2.445 1.00 0.00 C ATOM 748 O PRO A 112 1.301 1.555 -1.992 1.00 0.00 O ATOM 749 CB PRO A 112 0.179 0.923 -4.599 1.00 0.00 C ATOM 750 CG PRO A 112 -1.186 1.496 -4.401 1.00 0.00 C ATOM 751 CD PRO A 112 -1.966 0.487 -3.624 1.00 0.00 C ATOM 0 HA PRO A 112 0.767 -1.054 -3.821 1.00 0.00 H new ATOM 0 HB2 PRO A 112 0.940 1.703 -4.558 1.00 0.00 H new ATOM 0 HB3 PRO A 112 0.264 0.446 -5.575 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -1.134 2.443 -3.863 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.663 1.700 -5.360 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -2.689 0.963 -2.962 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -2.525 -0.179 -4.281 1.00 0.00 H new ATOM 759 N PHE A 113 2.341 -0.436 -2.072 1.00 0.00 N ATOM 760 CA PHE A 113 3.354 -0.068 -1.085 1.00 0.00 C ATOM 761 C PHE A 113 4.096 1.212 -1.479 1.00 0.00 C ATOM 762 O PHE A 113 4.685 1.880 -0.628 1.00 0.00 O ATOM 763 CB PHE A 113 4.345 -1.222 -0.878 1.00 0.00 C ATOM 764 CG PHE A 113 5.454 -1.279 -1.897 1.00 0.00 C ATOM 765 CD1 PHE A 113 5.197 -1.052 -3.240 1.00 0.00 C ATOM 766 CD2 PHE A 113 6.754 -1.557 -1.506 1.00 0.00 C ATOM 767 CE1 PHE A 113 6.216 -1.102 -4.174 1.00 0.00 C ATOM 768 CE2 PHE A 113 7.776 -1.609 -2.435 1.00 0.00 C ATOM 769 CZ PHE A 113 7.506 -1.381 -3.770 1.00 0.00 C ATOM 0 H PHE A 113 2.432 -1.384 -2.437 1.00 0.00 H new ATOM 0 HA PHE A 113 2.839 0.129 -0.145 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.785 -1.134 0.115 1.00 0.00 H new ATOM 0 HB3 PHE A 113 3.797 -2.164 -0.902 1.00 0.00 H new ATOM 0 HD1 PHE A 113 4.189 -0.834 -3.561 1.00 0.00 H new ATOM 0 HD2 PHE A 113 6.971 -1.735 -0.463 1.00 0.00 H new ATOM 0 HE1 PHE A 113 6.003 -0.923 -5.217 1.00 0.00 H new ATOM 0 HE2 PHE A 113 8.785 -1.828 -2.117 1.00 0.00 H new ATOM 0 HZ PHE A 113 8.303 -1.421 -4.497 1.00 0.00 H new ATOM 779 N ASN A 114 4.066 1.553 -2.764 1.00 0.00 N ATOM 780 CA ASN A 114 4.738 2.751 -3.249 1.00 0.00 C ATOM 781 C ASN A 114 3.741 3.883 -3.473 1.00 0.00 C ATOM 782 O ASN A 114 3.925 4.722 -4.354 1.00 0.00 O ATOM 783 CB ASN A 114 5.482 2.449 -4.550 1.00 0.00 C ATOM 784 CG ASN A 114 4.625 1.693 -5.546 1.00 0.00 C ATOM 785 OD1 ASN A 114 4.300 0.523 -5.341 1.00 0.00 O ATOM 786 ND2 ASN A 114 4.252 2.360 -6.632 1.00 0.00 N ATOM 0 H ASN A 114 3.584 1.017 -3.486 1.00 0.00 H new ATOM 0 HA ASN A 114 5.454 3.068 -2.491 1.00 0.00 H new ATOM 0 HB2 ASN A 114 5.816 3.384 -4.999 1.00 0.00 H new ATOM 0 HB3 ASN A 114 6.375 1.865 -4.327 1.00 0.00 H new ATOM 0 HD21 ASN A 114 3.673 1.904 -7.337 1.00 0.00 H new ATOM 0 HD22 ASN A 114 4.544 3.329 -6.761 1.00 0.00 H new ATOM 793 N PHE A 115 2.677 3.893 -2.677 1.00 0.00 N ATOM 794 CA PHE A 115 1.643 4.915 -2.793 1.00 0.00 C ATOM 795 C PHE A 115 1.503 5.728 -1.511 1.00 0.00 C ATOM 796 O PHE A 115 1.039 6.868 -1.538 1.00 0.00 O ATOM 797 CB PHE A 115 0.297 4.263 -3.110 1.00 0.00 C ATOM 798 CG PHE A 115 -0.345 4.778 -4.361 1.00 0.00 C ATOM 799 CD1 PHE A 115 0.381 4.902 -5.534 1.00 0.00 C ATOM 800 CD2 PHE A 115 -1.679 5.137 -4.361 1.00 0.00 C ATOM 801 CE1 PHE A 115 -0.217 5.378 -6.684 1.00 0.00 C ATOM 802 CE2 PHE A 115 -2.282 5.611 -5.504 1.00 0.00 C ATOM 803 CZ PHE A 115 -1.553 5.733 -6.670 1.00 0.00 C ATOM 0 H PHE A 115 2.508 3.204 -1.944 1.00 0.00 H new ATOM 0 HA PHE A 115 1.940 5.586 -3.599 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.438 3.186 -3.202 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.381 4.425 -2.272 1.00 0.00 H new ATOM 0 HD1 PHE A 115 1.424 4.624 -5.549 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -2.256 5.045 -3.453 1.00 0.00 H new ATOM 0 HE1 PHE A 115 0.358 5.473 -7.593 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.326 5.888 -5.489 1.00 0.00 H new ATOM 0 HZ PHE A 115 -2.025 6.104 -7.568 1.00 0.00 H new ATOM 813 N VAL A 116 1.864 5.126 -0.382 1.00 0.00 N ATOM 814 CA VAL A 116 1.728 5.795 0.903 1.00 0.00 C ATOM 815 C VAL A 116 3.064 6.107 1.565 1.00 0.00 C ATOM 816 O VAL A 116 4.045 5.381 1.405 1.00 0.00 O ATOM 817 CB VAL A 116 0.882 4.954 1.874 1.00 0.00 C ATOM 818 CG1 VAL A 116 -0.563 4.909 1.412 1.00 0.00 C ATOM 819 CG2 VAL A 116 1.453 3.547 2.014 1.00 0.00 C ATOM 0 H VAL A 116 2.250 4.183 -0.332 1.00 0.00 H new ATOM 0 HA VAL A 116 1.232 6.741 0.687 1.00 0.00 H new ATOM 0 HB VAL A 116 0.914 5.426 2.856 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.149 4.310 2.109 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -0.965 5.921 1.376 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -0.614 4.463 0.419 1.00 0.00 H new ATOM 0 HG21 VAL A 116 0.838 2.972 2.706 1.00 0.00 H new ATOM 0 HG22 VAL A 116 1.458 3.058 1.040 1.00 0.00 H new ATOM 0 HG23 VAL A 116 2.472 3.604 2.397 1.00 0.00 H new ATOM 829 N ALA A 117 3.066 7.192 2.332 1.00 0.00 N ATOM 830 CA ALA A 117 4.240 7.636 3.066 1.00 0.00 C ATOM 831 C ALA A 117 3.825 8.051 4.474 1.00 0.00 C ATOM 832 O ALA A 117 2.766 8.645 4.658 1.00 0.00 O ATOM 833 CB ALA A 117 4.919 8.788 2.341 1.00 0.00 C ATOM 0 H ALA A 117 2.249 7.789 2.461 1.00 0.00 H new ATOM 0 HA ALA A 117 4.956 6.817 3.132 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.795 9.107 2.905 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.226 8.462 1.347 1.00 0.00 H new ATOM 0 HB3 ALA A 117 4.223 9.622 2.250 1.00 0.00 H new ATOM 839 N LYS A 118 4.649 7.721 5.464 1.00 0.00 N ATOM 840 CA LYS A 118 4.346 8.045 6.860 1.00 0.00 C ATOM 841 C LYS A 118 3.718 9.429 7.000 1.00 0.00 C ATOM 842 O LYS A 118 4.118 10.375 6.322 1.00 0.00 O ATOM 843 CB LYS A 118 5.618 7.965 7.710 1.00 0.00 C ATOM 844 CG LYS A 118 5.618 6.818 8.709 1.00 0.00 C ATOM 845 CD LYS A 118 5.077 5.541 8.089 1.00 0.00 C ATOM 846 CE LYS A 118 5.684 4.303 8.728 1.00 0.00 C ATOM 847 NZ LYS A 118 7.170 4.295 8.623 1.00 0.00 N ATOM 0 H LYS A 118 5.532 7.229 5.329 1.00 0.00 H new ATOM 0 HA LYS A 118 3.622 7.312 7.215 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.479 7.859 7.050 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.743 8.904 8.249 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.633 6.648 9.069 1.00 0.00 H new ATOM 0 HG3 LYS A 118 5.013 7.088 9.575 1.00 0.00 H new ATOM 0 HD2 LYS A 118 3.993 5.513 8.201 1.00 0.00 H new ATOM 0 HD3 LYS A 118 5.287 5.539 7.020 1.00 0.00 H new ATOM 0 HE2 LYS A 118 5.394 4.257 9.778 1.00 0.00 H new ATOM 0 HE3 LYS A 118 5.281 3.412 8.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 7.510 3.313 8.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 7.460 4.800 7.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 7.579 4.766 9.455 1.00 0.00 H new ATOM 861 N ALA A 119 2.731 9.536 7.889 1.00 0.00 N ATOM 862 CA ALA A 119 2.044 10.808 8.127 1.00 0.00 C ATOM 863 C ALA A 119 2.959 11.799 8.841 1.00 0.00 C ATOM 864 O ALA A 119 2.583 12.387 9.856 1.00 0.00 O ATOM 865 CB ALA A 119 0.768 10.597 8.939 1.00 0.00 C ATOM 0 H ALA A 119 2.389 8.760 8.456 1.00 0.00 H new ATOM 0 HA ALA A 119 1.774 11.222 7.156 1.00 0.00 H new ATOM 0 HB1 ALA A 119 0.277 11.557 9.102 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.096 9.933 8.395 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.019 10.150 9.901 1.00 0.00 H new ATOM 871 N ASN A 120 4.161 11.982 8.306 1.00 0.00 N ATOM 872 CA ASN A 120 5.127 12.903 8.894 1.00 0.00 C ATOM 873 C ASN A 120 5.826 13.722 7.814 1.00 0.00 C ATOM 874 O ASN A 120 5.547 14.936 7.720 1.00 0.00 O ATOM 875 CB ASN A 120 6.162 12.131 9.715 1.00 0.00 C ATOM 876 CG ASN A 120 6.765 12.973 10.823 1.00 0.00 C ATOM 877 OD1 ASN A 120 7.195 14.104 10.596 1.00 0.00 O ATOM 878 ND2 ASN A 120 6.797 12.424 12.032 1.00 0.00 N ATOM 879 OXT ASN A 120 6.646 13.143 7.071 1.00 0.00 O ATOM 0 H ASN A 120 4.490 11.505 7.466 1.00 0.00 H new ATOM 0 HA ASN A 120 4.588 13.587 9.550 1.00 0.00 H new ATOM 0 HB2 ASN A 120 5.693 11.248 10.148 1.00 0.00 H new ATOM 0 HB3 ASN A 120 6.956 11.780 9.056 1.00 0.00 H new ATOM 0 HD21 ASN A 120 7.189 12.943 12.818 1.00 0.00 H new ATOM 0 HD22 ASN A 120 6.429 11.483 12.175 1.00 0.00 H new