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 -140:sc= -1.52! USER MOD Set 1.2: A 107 GLN : amide:sc= -3.83! C(o=-5.3!,f=-6.9!) USER MOD Single : A 70 HIS : no HE2:sc= -5.87! C(o=-5.9!,f=-5.7!) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0573 USER MOD Single : A 72 TYR OH : rot 68:sc= -0.999! USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -0.992 K(o=-0.99,f=-0.38) 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 K(o=0,f=-2.4!) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0344 USER MOD Single : A 99 LYS NZ :NH3+ -128:sc= -2.73 (180deg=-7.27!) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= -0.0968 USER MOD Single : A 104 THR OG1 : rot 128:sc= 0.111 USER MOD Single : A 114 ASN : amide:sc= -0.153 K(o=-0.15,f=-0.69) USER MOD Single : A 118 LYS NZ :NH3+ -167:sc= -0.0769 (180deg=-0.393) USER MOD Single : A 120 ASN : amide:sc= -0.0256 X(o=-0.026,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 15 N LEU A 65 0.942 3.869 10.777 1.00 0.00 N ATOM 16 CA LEU A 65 0.095 4.619 9.875 1.00 0.00 C ATOM 17 C LEU A 65 0.902 5.413 8.869 1.00 0.00 C ATOM 18 O LEU A 65 1.953 5.976 9.176 1.00 0.00 O ATOM 19 CB LEU A 65 -0.840 5.546 10.638 1.00 0.00 C ATOM 20 CG LEU A 65 -1.548 6.578 9.780 1.00 0.00 C ATOM 21 CD1 LEU A 65 -2.366 5.886 8.705 1.00 0.00 C ATOM 22 CD2 LEU A 65 -2.424 7.484 10.632 1.00 0.00 C ATOM 0 HA LEU A 65 -0.503 3.889 9.329 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.590 4.943 11.150 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.268 6.064 11.408 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.798 7.204 9.297 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.871 6.634 8.094 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.708 5.287 8.076 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.108 5.239 9.173 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.921 8.215 9.994 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.174 6.884 11.148 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.806 8.003 11.365 1.00 0.00 H new ATOM 34 N VAL A 66 0.374 5.441 7.664 1.00 0.00 N ATOM 35 CA VAL A 66 0.990 6.148 6.557 1.00 0.00 C ATOM 36 C VAL A 66 0.031 7.149 5.926 1.00 0.00 C ATOM 37 O VAL A 66 -1.104 7.313 6.367 1.00 0.00 O ATOM 38 CB VAL A 66 1.438 5.169 5.473 1.00 0.00 C ATOM 39 CG1 VAL A 66 2.750 4.508 5.858 1.00 0.00 C ATOM 40 CG2 VAL A 66 0.362 4.127 5.205 1.00 0.00 C ATOM 0 H VAL A 66 -0.499 4.972 7.422 1.00 0.00 H new ATOM 0 HA VAL A 66 1.850 6.680 6.965 1.00 0.00 H new ATOM 0 HB VAL A 66 1.598 5.730 4.552 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.052 3.814 5.073 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.518 5.271 5.984 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.622 3.964 6.794 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.704 3.442 4.430 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.160 3.569 6.119 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.550 4.623 4.874 1.00 0.00 H new ATOM 50 N ILE A 67 0.498 7.806 4.875 1.00 0.00 N ATOM 51 CA ILE A 67 -0.310 8.776 4.163 1.00 0.00 C ATOM 52 C ILE A 67 -0.021 8.727 2.668 1.00 0.00 C ATOM 53 O ILE A 67 1.127 8.828 2.238 1.00 0.00 O ATOM 54 CB ILE A 67 -0.114 10.207 4.721 1.00 0.00 C ATOM 55 CG1 ILE A 67 -1.371 10.604 5.483 1.00 0.00 C ATOM 56 CG2 ILE A 67 0.180 11.211 3.615 1.00 0.00 C ATOM 57 CD1 ILE A 67 -1.435 12.060 5.890 1.00 0.00 C ATOM 0 H ILE A 67 1.437 7.682 4.497 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.355 8.509 4.318 1.00 0.00 H new ATOM 0 HB ILE A 67 0.749 10.211 5.387 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.240 10.376 4.866 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.445 9.988 6.379 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.311 12.202 4.049 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.091 10.920 3.093 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.652 11.230 2.911 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.365 12.247 6.427 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.590 12.295 6.537 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.397 12.689 5.000 1.00 0.00 H new ATOM 69 N ALA A 68 -1.077 8.553 1.888 1.00 0.00 N ATOM 70 CA ALA A 68 -0.957 8.466 0.437 1.00 0.00 C ATOM 71 C ALA A 68 -0.428 9.758 -0.170 1.00 0.00 C ATOM 72 O ALA A 68 -0.632 10.845 0.369 1.00 0.00 O ATOM 73 CB ALA A 68 -2.297 8.101 -0.185 1.00 0.00 C ATOM 0 H ALA A 68 -2.032 8.469 2.236 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.234 7.681 0.217 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.191 8.040 -1.268 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.627 7.137 0.202 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.034 8.864 0.065 1.00 0.00 H new ATOM 79 N LEU A 69 0.247 9.622 -1.306 1.00 0.00 N ATOM 80 CA LEU A 69 0.809 10.765 -2.016 1.00 0.00 C ATOM 81 C LEU A 69 0.221 10.870 -3.422 1.00 0.00 C ATOM 82 O LEU A 69 0.756 11.578 -4.276 1.00 0.00 O ATOM 83 CB LEU A 69 2.329 10.625 -2.108 1.00 0.00 C ATOM 84 CG LEU A 69 3.072 10.772 -0.777 1.00 0.00 C ATOM 85 CD1 LEU A 69 4.571 10.565 -0.960 1.00 0.00 C ATOM 86 CD2 LEU A 69 2.797 12.142 -0.174 1.00 0.00 C ATOM 0 H LEU A 69 0.419 8.724 -1.758 1.00 0.00 H new ATOM 0 HA LEU A 69 0.558 11.670 -1.462 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.564 9.649 -2.533 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.707 11.375 -2.803 1.00 0.00 H new ATOM 0 HG LEU A 69 2.707 10.004 -0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.073 10.675 0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.755 9.565 -1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.958 11.307 -1.659 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.330 12.237 0.772 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.137 12.917 -0.861 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.727 12.255 -0.001 1.00 0.00 H new ATOM 98 N HIS A 70 -0.873 10.151 -3.661 1.00 0.00 N ATOM 99 CA HIS A 70 -1.521 10.152 -4.969 1.00 0.00 C ATOM 100 C HIS A 70 -2.882 9.465 -4.897 1.00 0.00 C ATOM 101 O HIS A 70 -3.047 8.468 -4.194 1.00 0.00 O ATOM 102 CB HIS A 70 -0.639 9.446 -6.015 1.00 0.00 C ATOM 103 CG HIS A 70 0.541 8.708 -5.445 1.00 0.00 C ATOM 104 ND1 HIS A 70 1.742 8.584 -6.110 1.00 0.00 N ATOM 105 CD2 HIS A 70 0.705 8.062 -4.264 1.00 0.00 C ATOM 106 CE1 HIS A 70 2.590 7.898 -5.366 1.00 0.00 C ATOM 107 NE2 HIS A 70 1.987 7.570 -4.238 1.00 0.00 N ATOM 0 H HIS A 70 -1.329 9.560 -2.966 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.664 11.190 -5.270 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.255 8.742 -6.575 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.277 10.188 -6.726 1.00 0.00 H new ATOM 0 HD1 HIS A 70 1.944 8.964 -7.035 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -0.037 7.954 -3.486 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.606 7.647 -5.635 1.00 0.00 H new ATOM 116 N SER A 71 -3.854 9.999 -5.633 1.00 0.00 N ATOM 117 CA SER A 71 -5.196 9.425 -5.652 1.00 0.00 C ATOM 118 C SER A 71 -5.151 7.979 -6.129 1.00 0.00 C ATOM 119 O SER A 71 -4.625 7.687 -7.203 1.00 0.00 O ATOM 120 CB SER A 71 -6.114 10.245 -6.558 1.00 0.00 C ATOM 121 OG SER A 71 -5.651 11.578 -6.684 1.00 0.00 O ATOM 0 H SER A 71 -3.738 10.824 -6.221 1.00 0.00 H new ATOM 0 HA SER A 71 -5.592 9.447 -4.637 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.167 9.781 -7.543 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.125 10.245 -6.151 1.00 0.00 H new ATOM 0 HG SER A 71 -6.255 12.080 -7.270 1.00 0.00 H new ATOM 127 N TYR A 72 -5.691 7.074 -5.320 1.00 0.00 N ATOM 128 CA TYR A 72 -5.689 5.652 -5.668 1.00 0.00 C ATOM 129 C TYR A 72 -7.056 5.160 -6.130 1.00 0.00 C ATOM 130 O TYR A 72 -8.095 5.609 -5.645 1.00 0.00 O ATOM 131 CB TYR A 72 -5.235 4.802 -4.482 1.00 0.00 C ATOM 132 CG TYR A 72 -4.975 3.357 -4.849 1.00 0.00 C ATOM 133 CD1 TYR A 72 -4.172 3.026 -5.935 1.00 0.00 C ATOM 134 CD2 TYR A 72 -5.544 2.325 -4.116 1.00 0.00 C ATOM 135 CE1 TYR A 72 -3.947 1.707 -6.277 1.00 0.00 C ATOM 136 CE2 TYR A 72 -5.318 1.004 -4.450 1.00 0.00 C ATOM 137 CZ TYR A 72 -4.521 0.701 -5.531 1.00 0.00 C ATOM 138 OH TYR A 72 -4.303 -0.612 -5.871 1.00 0.00 O ATOM 0 H TYR A 72 -6.132 7.293 -4.427 1.00 0.00 H new ATOM 0 HA TYR A 72 -4.989 5.544 -6.496 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.326 5.233 -4.062 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.996 4.841 -3.703 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.718 3.812 -6.520 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.174 2.559 -3.270 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.324 1.465 -7.125 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.764 0.213 -3.866 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.363 -0.840 -5.711 1.00 0.00 H new ATOM 148 N GLU A 73 -7.033 4.210 -7.061 1.00 0.00 N ATOM 149 CA GLU A 73 -8.238 3.611 -7.597 1.00 0.00 C ATOM 150 C GLU A 73 -8.063 2.097 -7.715 1.00 0.00 C ATOM 151 O GLU A 73 -7.526 1.596 -8.704 1.00 0.00 O ATOM 152 CB GLU A 73 -8.556 4.211 -8.949 1.00 0.00 C ATOM 153 CG GLU A 73 -9.865 4.972 -8.977 1.00 0.00 C ATOM 154 CD GLU A 73 -10.007 5.849 -10.205 1.00 0.00 C ATOM 155 OE1 GLU A 73 -9.396 6.938 -10.232 1.00 0.00 O ATOM 156 OE2 GLU A 73 -10.732 5.447 -11.141 1.00 0.00 O ATOM 0 H GLU A 73 -6.172 3.837 -7.462 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.068 3.814 -6.920 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.748 4.882 -9.239 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -8.591 3.415 -9.692 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.693 4.264 -8.944 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.940 5.591 -8.083 1.00 0.00 H new ATOM 163 N PRO A 74 -8.507 1.357 -6.692 1.00 0.00 N ATOM 164 CA PRO A 74 -8.413 -0.098 -6.624 1.00 0.00 C ATOM 165 C PRO A 74 -8.629 -0.782 -7.970 1.00 0.00 C ATOM 166 O PRO A 74 -9.615 -0.527 -8.661 1.00 0.00 O ATOM 167 CB PRO A 74 -9.527 -0.483 -5.635 1.00 0.00 C ATOM 168 CG PRO A 74 -10.119 0.805 -5.146 1.00 0.00 C ATOM 169 CD PRO A 74 -9.139 1.887 -5.497 1.00 0.00 C ATOM 0 HA PRO A 74 -7.417 -0.417 -6.317 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.283 -1.099 -6.122 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -9.126 -1.066 -4.806 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -11.085 0.990 -5.615 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.289 0.770 -4.070 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.635 2.839 -5.687 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.418 2.058 -4.697 1.00 0.00 H new ATOM 177 N SER A 75 -7.695 -1.657 -8.327 1.00 0.00 N ATOM 178 CA SER A 75 -7.768 -2.393 -9.584 1.00 0.00 C ATOM 179 C SER A 75 -7.643 -3.893 -9.335 1.00 0.00 C ATOM 180 O SER A 75 -8.364 -4.694 -9.931 1.00 0.00 O ATOM 181 CB SER A 75 -6.667 -1.927 -10.538 1.00 0.00 C ATOM 182 OG SER A 75 -6.758 -2.593 -11.786 1.00 0.00 O ATOM 0 H SER A 75 -6.875 -1.874 -7.761 1.00 0.00 H new ATOM 0 HA SER A 75 -8.738 -2.195 -10.041 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.745 -0.850 -10.690 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.691 -2.116 -10.092 1.00 0.00 H new ATOM 0 HG SER A 75 -6.044 -2.277 -12.378 1.00 0.00 H new ATOM 188 N HIS A 76 -6.725 -4.267 -8.447 1.00 0.00 N ATOM 189 CA HIS A 76 -6.508 -5.671 -8.116 1.00 0.00 C ATOM 190 C HIS A 76 -7.561 -6.161 -7.127 1.00 0.00 C ATOM 191 O HIS A 76 -8.180 -5.365 -6.420 1.00 0.00 O ATOM 192 CB HIS A 76 -5.107 -5.874 -7.532 1.00 0.00 C ATOM 193 CG HIS A 76 -4.067 -6.201 -8.561 1.00 0.00 C ATOM 194 ND1 HIS A 76 -4.354 -6.847 -9.746 1.00 0.00 N ATOM 195 CD2 HIS A 76 -2.733 -5.967 -8.576 1.00 0.00 C ATOM 196 CE1 HIS A 76 -3.242 -6.994 -10.445 1.00 0.00 C ATOM 197 NE2 HIS A 76 -2.245 -6.469 -9.757 1.00 0.00 N ATOM 0 H HIS A 76 -6.120 -3.617 -7.945 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.595 -6.253 -9.034 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -4.809 -4.969 -7.002 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -5.143 -6.677 -6.796 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -2.160 -5.477 -7.803 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -3.162 -7.464 -11.414 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -1.270 -6.441 -10.055 1.00 0.00 H new ATOM 206 N ASP A 77 -7.761 -7.475 -7.081 1.00 0.00 N ATOM 207 CA ASP A 77 -8.741 -8.067 -6.177 1.00 0.00 C ATOM 208 C ASP A 77 -8.326 -7.876 -4.722 1.00 0.00 C ATOM 209 O ASP A 77 -7.143 -7.955 -4.389 1.00 0.00 O ATOM 210 CB ASP A 77 -8.909 -9.557 -6.480 1.00 0.00 C ATOM 211 CG ASP A 77 -9.991 -9.819 -7.510 1.00 0.00 C ATOM 212 OD1 ASP A 77 -11.185 -9.733 -7.151 1.00 0.00 O ATOM 213 OD2 ASP A 77 -9.646 -10.109 -8.674 1.00 0.00 O ATOM 0 H ASP A 77 -7.258 -8.149 -7.658 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.694 -7.561 -6.333 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.963 -9.961 -6.840 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.152 -10.087 -5.559 1.00 0.00 H new ATOM 218 N GLY A 78 -9.304 -7.626 -3.859 1.00 0.00 N ATOM 219 CA GLY A 78 -9.017 -7.429 -2.450 1.00 0.00 C ATOM 220 C GLY A 78 -8.133 -6.224 -2.202 1.00 0.00 C ATOM 221 O GLY A 78 -7.213 -6.282 -1.388 1.00 0.00 O ATOM 0 H GLY A 78 -10.290 -7.556 -4.109 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.953 -7.307 -1.905 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.531 -8.320 -2.053 1.00 0.00 H new ATOM 225 N ASP A 79 -8.412 -5.129 -2.904 1.00 0.00 N ATOM 226 CA ASP A 79 -7.630 -3.909 -2.748 1.00 0.00 C ATOM 227 C ASP A 79 -8.446 -2.817 -2.069 1.00 0.00 C ATOM 228 O ASP A 79 -9.675 -2.813 -2.124 1.00 0.00 O ATOM 229 CB ASP A 79 -7.133 -3.415 -4.107 1.00 0.00 C ATOM 230 CG ASP A 79 -6.109 -4.349 -4.719 1.00 0.00 C ATOM 231 OD1 ASP A 79 -6.357 -5.571 -4.743 1.00 0.00 O ATOM 232 OD2 ASP A 79 -5.055 -3.856 -5.171 1.00 0.00 O ATOM 0 H ASP A 79 -9.170 -5.063 -3.583 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.772 -4.142 -2.117 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -7.980 -3.313 -4.786 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -6.695 -2.424 -3.993 1.00 0.00 H new ATOM 237 N LEU A 80 -7.744 -1.890 -1.431 1.00 0.00 N ATOM 238 CA LEU A 80 -8.380 -0.778 -0.740 1.00 0.00 C ATOM 239 C LEU A 80 -8.091 0.527 -1.473 1.00 0.00 C ATOM 240 O LEU A 80 -6.948 0.802 -1.840 1.00 0.00 O ATOM 241 CB LEU A 80 -7.880 -0.706 0.711 1.00 0.00 C ATOM 242 CG LEU A 80 -7.927 0.678 1.363 1.00 0.00 C ATOM 243 CD1 LEU A 80 -9.366 1.128 1.574 1.00 0.00 C ATOM 244 CD2 LEU A 80 -7.173 0.668 2.684 1.00 0.00 C ATOM 0 H LEU A 80 -6.725 -1.888 -1.378 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.459 -0.935 -0.727 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.474 -1.392 1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.851 -1.066 0.739 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.444 1.388 0.692 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.374 2.114 2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.877 1.176 0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.878 0.417 2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.216 1.659 3.135 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.629 -0.057 3.358 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.133 0.395 2.507 1.00 0.00 H new ATOM 256 N GLY A 81 -9.128 1.327 -1.685 1.00 0.00 N ATOM 257 CA GLY A 81 -8.952 2.589 -2.373 1.00 0.00 C ATOM 258 C GLY A 81 -8.849 3.756 -1.420 1.00 0.00 C ATOM 259 O GLY A 81 -9.507 3.785 -0.381 1.00 0.00 O ATOM 0 H GLY A 81 -10.084 1.125 -1.394 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.051 2.543 -2.985 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.790 2.750 -3.051 1.00 0.00 H new ATOM 263 N PHE A 82 -8.014 4.720 -1.776 1.00 0.00 N ATOM 264 CA PHE A 82 -7.812 5.900 -0.954 1.00 0.00 C ATOM 265 C PHE A 82 -7.532 7.116 -1.816 1.00 0.00 C ATOM 266 O PHE A 82 -7.427 7.015 -3.039 1.00 0.00 O ATOM 267 CB PHE A 82 -6.656 5.688 0.025 1.00 0.00 C ATOM 268 CG PHE A 82 -5.503 4.906 -0.548 1.00 0.00 C ATOM 269 CD1 PHE A 82 -5.644 3.564 -0.863 1.00 0.00 C ATOM 270 CD2 PHE A 82 -4.276 5.514 -0.773 1.00 0.00 C ATOM 271 CE1 PHE A 82 -4.588 2.845 -1.388 1.00 0.00 C ATOM 272 CE2 PHE A 82 -3.215 4.796 -1.299 1.00 0.00 C ATOM 273 CZ PHE A 82 -3.373 3.461 -1.606 1.00 0.00 C ATOM 0 H PHE A 82 -7.463 4.706 -2.634 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.728 6.071 -0.389 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.292 6.660 0.358 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.031 5.169 0.907 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.592 3.074 -0.696 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.147 6.560 -0.535 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.714 1.800 -1.628 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.265 5.281 -1.469 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.547 2.899 -2.016 1.00 0.00 H new ATOM 283 N GLU A 83 -7.414 8.265 -1.172 1.00 0.00 N ATOM 284 CA GLU A 83 -7.147 9.503 -1.878 1.00 0.00 C ATOM 285 C GLU A 83 -5.728 9.983 -1.605 1.00 0.00 C ATOM 286 O GLU A 83 -5.006 9.393 -0.800 1.00 0.00 O ATOM 287 CB GLU A 83 -8.153 10.566 -1.443 1.00 0.00 C ATOM 288 CG GLU A 83 -9.212 10.860 -2.490 1.00 0.00 C ATOM 289 CD GLU A 83 -9.433 12.344 -2.698 1.00 0.00 C ATOM 290 OE1 GLU A 83 -8.637 12.967 -3.431 1.00 0.00 O ATOM 291 OE2 GLU A 83 -10.403 12.887 -2.127 1.00 0.00 O ATOM 0 H GLU A 83 -7.499 8.364 -0.160 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.247 9.326 -2.949 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.641 10.239 -0.525 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.619 11.487 -1.209 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.918 10.405 -3.436 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.152 10.395 -2.191 1.00 0.00 H new ATOM 298 N LYS A 84 -5.334 11.065 -2.262 1.00 0.00 N ATOM 299 CA LYS A 84 -4.009 11.624 -2.060 1.00 0.00 C ATOM 300 C LYS A 84 -3.961 12.302 -0.696 1.00 0.00 C ATOM 301 O LYS A 84 -4.872 13.044 -0.329 1.00 0.00 O ATOM 302 CB LYS A 84 -3.666 12.600 -3.188 1.00 0.00 C ATOM 303 CG LYS A 84 -2.544 13.575 -2.856 1.00 0.00 C ATOM 304 CD LYS A 84 -2.643 14.839 -3.689 1.00 0.00 C ATOM 305 CE LYS A 84 -1.308 15.206 -4.319 1.00 0.00 C ATOM 306 NZ LYS A 84 -0.710 16.415 -3.688 1.00 0.00 N ATOM 0 H LYS A 84 -5.911 11.569 -2.935 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.262 10.831 -2.082 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.385 12.029 -4.073 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.560 13.168 -3.445 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.584 13.831 -1.797 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.581 13.096 -3.032 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.389 14.701 -4.472 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.988 15.661 -3.062 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.618 14.367 -4.223 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.446 15.384 -5.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.198 16.632 -4.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.356 17.222 -3.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.554 16.237 -2.675 1.00 0.00 H new ATOM 320 N GLY A 85 -2.917 12.009 0.066 1.00 0.00 N ATOM 321 CA GLY A 85 -2.797 12.565 1.403 1.00 0.00 C ATOM 322 C GLY A 85 -3.632 11.793 2.408 1.00 0.00 C ATOM 323 O GLY A 85 -3.499 11.988 3.616 1.00 0.00 O ATOM 0 H GLY A 85 -2.151 11.397 -0.215 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.751 12.551 1.711 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.112 13.608 1.393 1.00 0.00 H new ATOM 327 N GLU A 86 -4.482 10.895 1.907 1.00 0.00 N ATOM 328 CA GLU A 86 -5.322 10.073 2.760 1.00 0.00 C ATOM 329 C GLU A 86 -4.457 9.276 3.717 1.00 0.00 C ATOM 330 O GLU A 86 -3.248 9.170 3.526 1.00 0.00 O ATOM 331 CB GLU A 86 -6.156 9.114 1.903 1.00 0.00 C ATOM 332 CG GLU A 86 -7.581 8.864 2.382 1.00 0.00 C ATOM 333 CD GLU A 86 -7.992 9.697 3.585 1.00 0.00 C ATOM 334 OE1 GLU A 86 -7.661 9.301 4.722 1.00 0.00 O ATOM 335 OE2 GLU A 86 -8.643 10.743 3.387 1.00 0.00 O ATOM 0 H GLU A 86 -4.602 10.723 0.909 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.990 10.719 3.329 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.198 9.508 0.887 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.637 8.157 1.853 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.269 9.068 1.561 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.688 7.808 2.632 1.00 0.00 H new ATOM 342 N GLN A 87 -5.077 8.711 4.734 1.00 0.00 N ATOM 343 CA GLN A 87 -4.343 7.922 5.709 1.00 0.00 C ATOM 344 C GLN A 87 -4.906 6.518 5.812 1.00 0.00 C ATOM 345 O GLN A 87 -6.109 6.294 5.670 1.00 0.00 O ATOM 346 CB GLN A 87 -4.357 8.595 7.078 1.00 0.00 C ATOM 347 CG GLN A 87 -4.126 10.093 7.015 1.00 0.00 C ATOM 348 CD GLN A 87 -5.001 10.862 7.985 1.00 0.00 C ATOM 349 OE1 GLN A 87 -6.129 11.234 7.660 1.00 0.00 O ATOM 350 NE2 GLN A 87 -4.484 11.106 9.183 1.00 0.00 N ATOM 0 H GLN A 87 -6.080 8.781 4.908 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.311 7.854 5.366 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.316 8.403 7.559 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.589 8.142 7.705 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.079 10.304 7.231 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.319 10.444 6.001 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.545 10.779 9.409 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -5.026 11.621 9.877 1.00 0.00 H new ATOM 359 N LEU A 88 -4.012 5.581 6.057 1.00 0.00 N ATOM 360 CA LEU A 88 -4.370 4.176 6.187 1.00 0.00 C ATOM 361 C LEU A 88 -3.478 3.499 7.199 1.00 0.00 C ATOM 362 O LEU A 88 -2.251 3.569 7.110 1.00 0.00 O ATOM 363 CB LEU A 88 -4.238 3.439 4.854 1.00 0.00 C ATOM 364 CG LEU A 88 -4.445 4.283 3.599 1.00 0.00 C ATOM 365 CD1 LEU A 88 -3.361 3.979 2.578 1.00 0.00 C ATOM 366 CD2 LEU A 88 -5.823 4.022 3.020 1.00 0.00 C ATOM 0 H LEU A 88 -3.016 5.768 6.172 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.409 4.137 6.514 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.246 2.990 4.806 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.959 2.621 4.841 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.377 5.338 3.863 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.519 4.587 1.687 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.385 4.208 3.005 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.401 2.924 2.309 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.962 4.628 2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.915 2.967 2.762 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.583 4.283 3.757 1.00 0.00 H new ATOM 378 N ARG A 89 -4.092 2.824 8.146 1.00 0.00 N ATOM 379 CA ARG A 89 -3.355 2.117 9.157 1.00 0.00 C ATOM 380 C ARG A 89 -2.874 0.792 8.583 1.00 0.00 C ATOM 381 O ARG A 89 -3.648 -0.150 8.415 1.00 0.00 O ATOM 382 CB ARG A 89 -4.227 1.907 10.383 1.00 0.00 C ATOM 383 CG ARG A 89 -3.639 0.918 11.352 1.00 0.00 C ATOM 384 CD ARG A 89 -4.447 0.854 12.630 1.00 0.00 C ATOM 385 NE ARG A 89 -3.664 0.324 13.743 1.00 0.00 N ATOM 386 CZ ARG A 89 -4.198 -0.235 14.827 1.00 0.00 C ATOM 387 NH1 ARG A 89 -5.515 -0.338 14.952 1.00 0.00 N ATOM 388 NH2 ARG A 89 -3.410 -0.691 15.792 1.00 0.00 N ATOM 0 H ARG A 89 -5.106 2.753 8.233 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.487 2.699 9.465 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.372 2.862 10.888 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -5.211 1.560 10.068 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.604 -0.069 10.891 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.611 1.198 11.583 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.807 1.851 12.882 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.325 0.228 12.473 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.647 0.386 13.687 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -6.126 0.012 14.214 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -5.916 -0.768 15.786 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.397 -0.613 15.703 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.817 -1.120 16.623 1.00 0.00 H new ATOM 402 N ILE A 90 -1.595 0.748 8.256 1.00 0.00 N ATOM 403 CA ILE A 90 -0.990 -0.433 7.660 1.00 0.00 C ATOM 404 C ILE A 90 -1.108 -1.650 8.560 1.00 0.00 C ATOM 405 O ILE A 90 -0.468 -1.739 9.608 1.00 0.00 O ATOM 406 CB ILE A 90 0.493 -0.191 7.307 1.00 0.00 C ATOM 407 CG1 ILE A 90 0.641 1.099 6.501 1.00 0.00 C ATOM 408 CG2 ILE A 90 1.061 -1.363 6.525 1.00 0.00 C ATOM 409 CD1 ILE A 90 0.014 1.036 5.123 1.00 0.00 C ATOM 0 H ILE A 90 -0.948 1.524 8.394 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.544 -0.631 6.742 1.00 0.00 H new ATOM 0 HB ILE A 90 1.053 -0.095 8.237 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.188 1.919 7.059 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.701 1.332 6.397 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.107 -1.169 6.288 1.00 0.00 H new ATOM 0 HG22 ILE A 90 0.987 -2.270 7.124 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.497 -1.491 5.601 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.160 1.988 4.613 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.483 0.239 4.546 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.053 0.835 5.218 1.00 0.00 H new ATOM 421 N LEU A 91 -1.919 -2.596 8.114 1.00 0.00 N ATOM 422 CA LEU A 91 -2.131 -3.839 8.833 1.00 0.00 C ATOM 423 C LEU A 91 -0.965 -4.766 8.556 1.00 0.00 C ATOM 424 O LEU A 91 -0.363 -5.333 9.468 1.00 0.00 O ATOM 425 CB LEU A 91 -3.436 -4.474 8.365 1.00 0.00 C ATOM 426 CG LEU A 91 -4.610 -3.494 8.268 1.00 0.00 C ATOM 427 CD1 LEU A 91 -5.864 -4.175 7.750 1.00 0.00 C ATOM 428 CD2 LEU A 91 -4.869 -2.835 9.616 1.00 0.00 C ATOM 0 H LEU A 91 -2.447 -2.523 7.245 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.196 -3.652 9.905 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.276 -4.930 7.388 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.703 -5.277 9.052 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.338 -2.720 7.550 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.676 -3.449 7.695 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.673 -4.583 6.757 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.145 -4.983 8.426 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.706 -2.142 9.528 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.107 -3.600 10.355 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.979 -2.290 9.932 1.00 0.00 H new ATOM 440 N GLU A 92 -0.640 -4.882 7.279 1.00 0.00 N ATOM 441 CA GLU A 92 0.473 -5.698 6.839 1.00 0.00 C ATOM 442 C GLU A 92 1.227 -4.985 5.730 1.00 0.00 C ATOM 443 O GLU A 92 0.624 -4.391 4.840 1.00 0.00 O ATOM 444 CB GLU A 92 -0.003 -7.069 6.374 1.00 0.00 C ATOM 445 CG GLU A 92 0.577 -8.194 7.206 1.00 0.00 C ATOM 446 CD GLU A 92 -0.481 -8.962 7.974 1.00 0.00 C ATOM 447 OE1 GLU A 92 -1.546 -9.253 7.390 1.00 0.00 O ATOM 448 OE2 GLU A 92 -0.243 -9.275 9.160 1.00 0.00 O ATOM 0 H GLU A 92 -1.140 -4.414 6.523 1.00 0.00 H new ATOM 0 HA GLU A 92 1.146 -5.851 7.682 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.091 -7.109 6.423 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.275 -7.212 5.330 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.117 -8.881 6.554 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.303 -7.784 7.908 1.00 0.00 H new ATOM 455 N GLN A 93 2.547 -5.021 5.803 1.00 0.00 N ATOM 456 CA GLN A 93 3.375 -4.351 4.815 1.00 0.00 C ATOM 457 C GLN A 93 4.356 -5.315 4.171 1.00 0.00 C ATOM 458 O GLN A 93 5.484 -4.948 3.843 1.00 0.00 O ATOM 459 CB GLN A 93 4.112 -3.187 5.461 1.00 0.00 C ATOM 460 CG GLN A 93 4.451 -3.450 6.897 1.00 0.00 C ATOM 461 CD GLN A 93 4.977 -2.227 7.621 1.00 0.00 C ATOM 462 OE1 GLN A 93 4.469 -1.120 7.443 1.00 0.00 O ATOM 463 NE2 GLN A 93 6.002 -2.420 8.444 1.00 0.00 N ATOM 0 H GLN A 93 3.067 -5.506 6.534 1.00 0.00 H new ATOM 0 HA GLN A 93 2.726 -3.968 4.027 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.028 -2.988 4.905 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.497 -2.290 5.394 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.562 -3.815 7.412 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.197 -4.243 6.948 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.392 -3.355 8.562 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.398 -1.633 8.958 1.00 0.00 H new ATOM 472 N SER A 94 3.908 -6.546 3.978 1.00 0.00 N ATOM 473 CA SER A 94 4.731 -7.569 3.356 1.00 0.00 C ATOM 474 C SER A 94 4.406 -7.661 1.871 1.00 0.00 C ATOM 475 O SER A 94 3.257 -7.886 1.490 1.00 0.00 O ATOM 476 CB SER A 94 4.509 -8.922 4.032 1.00 0.00 C ATOM 477 OG SER A 94 3.442 -8.861 4.964 1.00 0.00 O ATOM 0 H SER A 94 2.975 -6.861 4.245 1.00 0.00 H new ATOM 0 HA SER A 94 5.779 -7.295 3.475 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.293 -9.678 3.277 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.422 -9.232 4.540 1.00 0.00 H new ATOM 0 HG SER A 94 3.321 -9.740 5.380 1.00 0.00 H new ATOM 483 N GLY A 95 5.420 -7.475 1.037 1.00 0.00 N ATOM 484 CA GLY A 95 5.211 -7.531 -0.397 1.00 0.00 C ATOM 485 C GLY A 95 4.912 -6.179 -0.994 1.00 0.00 C ATOM 486 O GLY A 95 4.488 -5.256 -0.299 1.00 0.00 O ATOM 0 H GLY A 95 6.380 -7.287 1.326 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.099 -7.946 -0.874 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.386 -8.210 -0.614 1.00 0.00 H new ATOM 490 N GLU A 96 5.132 -6.073 -2.296 1.00 0.00 N ATOM 491 CA GLU A 96 4.889 -4.842 -3.028 1.00 0.00 C ATOM 492 C GLU A 96 3.498 -4.273 -2.722 1.00 0.00 C ATOM 493 O GLU A 96 3.244 -3.089 -2.938 1.00 0.00 O ATOM 494 CB GLU A 96 5.052 -5.106 -4.521 1.00 0.00 C ATOM 495 CG GLU A 96 4.100 -4.310 -5.365 1.00 0.00 C ATOM 496 CD GLU A 96 4.371 -4.438 -6.851 1.00 0.00 C ATOM 497 OE1 GLU A 96 5.410 -3.922 -7.313 1.00 0.00 O ATOM 498 OE2 GLU A 96 3.542 -5.055 -7.554 1.00 0.00 O ATOM 0 H GLU A 96 5.483 -6.837 -2.873 1.00 0.00 H new ATOM 0 HA GLU A 96 5.617 -4.095 -2.711 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.075 -4.871 -4.816 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.900 -6.168 -4.715 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.081 -4.637 -5.158 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.162 -3.260 -5.080 1.00 0.00 H new ATOM 505 N TRP A 97 2.599 -5.117 -2.228 1.00 0.00 N ATOM 506 CA TRP A 97 1.248 -4.682 -1.899 1.00 0.00 C ATOM 507 C TRP A 97 1.015 -4.748 -0.392 1.00 0.00 C ATOM 508 O TRP A 97 0.960 -5.830 0.191 1.00 0.00 O ATOM 509 CB TRP A 97 0.228 -5.542 -2.642 1.00 0.00 C ATOM 510 CG TRP A 97 0.083 -5.152 -4.080 1.00 0.00 C ATOM 511 CD1 TRP A 97 0.838 -5.593 -5.128 1.00 0.00 C ATOM 512 CD2 TRP A 97 -0.863 -4.230 -4.626 1.00 0.00 C ATOM 513 NE1 TRP A 97 0.423 -4.994 -6.293 1.00 0.00 N ATOM 514 CE2 TRP A 97 -0.622 -4.154 -6.011 1.00 0.00 C ATOM 515 CE3 TRP A 97 -1.891 -3.460 -4.079 1.00 0.00 C ATOM 516 CZ2 TRP A 97 -1.370 -3.335 -6.852 1.00 0.00 C ATOM 517 CZ3 TRP A 97 -2.633 -2.649 -4.913 1.00 0.00 C ATOM 518 CH2 TRP A 97 -2.369 -2.590 -6.287 1.00 0.00 C ATOM 0 H TRP A 97 2.781 -6.104 -2.047 1.00 0.00 H new ATOM 0 HA TRP A 97 1.126 -3.646 -2.214 1.00 0.00 H new ATOM 0 HB2 TRP A 97 0.528 -6.588 -2.582 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.740 -5.459 -2.148 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.644 -6.308 -5.053 1.00 0.00 H new ATOM 0 HE1 TRP A 97 0.827 -5.149 -7.217 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -2.102 -3.498 -3.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -1.169 -3.289 -7.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -3.431 -2.050 -4.499 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -2.966 -1.944 -6.913 1.00 0.00 H new ATOM 529 N TRP A 98 0.896 -3.579 0.237 1.00 0.00 N ATOM 530 CA TRP A 98 0.691 -3.504 1.680 1.00 0.00 C ATOM 531 C TRP A 98 -0.784 -3.450 2.050 1.00 0.00 C ATOM 532 O TRP A 98 -1.571 -2.735 1.430 1.00 0.00 O ATOM 533 CB TRP A 98 1.392 -2.275 2.257 1.00 0.00 C ATOM 534 CG TRP A 98 2.884 -2.395 2.284 1.00 0.00 C ATOM 535 CD1 TRP A 98 3.635 -3.417 1.787 1.00 0.00 C ATOM 536 CD2 TRP A 98 3.800 -1.458 2.849 1.00 0.00 C ATOM 537 NE1 TRP A 98 4.969 -3.173 2.011 1.00 0.00 N ATOM 538 CE2 TRP A 98 5.096 -1.971 2.659 1.00 0.00 C ATOM 539 CE3 TRP A 98 3.645 -0.234 3.494 1.00 0.00 C ATOM 540 CZ2 TRP A 98 6.232 -1.295 3.096 1.00 0.00 C ATOM 541 CZ3 TRP A 98 4.770 0.439 3.927 1.00 0.00 C ATOM 542 CH2 TRP A 98 6.052 -0.091 3.724 1.00 0.00 C ATOM 0 H TRP A 98 0.938 -2.673 -0.231 1.00 0.00 H new ATOM 0 HA TRP A 98 1.118 -4.413 2.104 1.00 0.00 H new ATOM 0 HB2 TRP A 98 1.117 -1.400 1.668 1.00 0.00 H new ATOM 0 HB3 TRP A 98 1.031 -2.104 3.271 1.00 0.00 H new ATOM 0 HD1 TRP A 98 3.240 -4.291 1.290 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.738 -3.785 1.740 1.00 0.00 H new ATOM 0 HE3 TRP A 98 2.661 0.182 3.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 7.220 -1.705 2.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 4.661 1.389 4.430 1.00 0.00 H new ATOM 0 HH2 TRP A 98 6.914 0.460 4.069 1.00 0.00 H new ATOM 553 N LYS A 99 -1.138 -4.188 3.095 1.00 0.00 N ATOM 554 CA LYS A 99 -2.501 -4.210 3.594 1.00 0.00 C ATOM 555 C LYS A 99 -2.703 -3.039 4.546 1.00 0.00 C ATOM 556 O LYS A 99 -2.096 -2.993 5.613 1.00 0.00 O ATOM 557 CB LYS A 99 -2.778 -5.528 4.325 1.00 0.00 C ATOM 558 CG LYS A 99 -4.128 -5.579 5.022 1.00 0.00 C ATOM 559 CD LYS A 99 -5.190 -4.865 4.222 1.00 0.00 C ATOM 560 CE LYS A 99 -6.586 -5.285 4.650 1.00 0.00 C ATOM 561 NZ LYS A 99 -7.324 -5.973 3.554 1.00 0.00 N ATOM 0 H LYS A 99 -0.492 -4.782 3.614 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.192 -4.126 2.756 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.720 -6.348 3.609 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -1.993 -5.693 5.063 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.422 -6.618 5.173 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.047 -5.124 6.009 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.079 -3.788 4.347 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.054 -5.079 3.162 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.516 -5.949 5.512 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.147 -4.406 4.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.251 -5.521 3.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.777 -5.906 2.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.459 -6.974 3.802 1.00 0.00 H new ATOM 575 N ALA A 100 -3.542 -2.089 4.157 1.00 0.00 N ATOM 576 CA ALA A 100 -3.789 -0.925 4.995 1.00 0.00 C ATOM 577 C ALA A 100 -5.246 -0.819 5.388 1.00 0.00 C ATOM 578 O ALA A 100 -6.140 -1.092 4.589 1.00 0.00 O ATOM 579 CB ALA A 100 -3.361 0.352 4.288 1.00 0.00 C ATOM 0 H ALA A 100 -4.058 -2.100 3.277 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.195 -1.052 5.900 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.555 1.208 4.934 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -2.296 0.303 4.061 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -3.925 0.461 3.361 1.00 0.00 H new ATOM 585 N GLN A 101 -5.478 -0.379 6.614 1.00 0.00 N ATOM 586 CA GLN A 101 -6.824 -0.188 7.097 1.00 0.00 C ATOM 587 C GLN A 101 -7.083 1.298 7.199 1.00 0.00 C ATOM 588 O GLN A 101 -6.510 1.983 8.045 1.00 0.00 O ATOM 589 CB GLN A 101 -7.040 -0.862 8.451 1.00 0.00 C ATOM 590 CG GLN A 101 -8.375 -0.524 9.076 1.00 0.00 C ATOM 591 CD GLN A 101 -8.440 -0.870 10.549 1.00 0.00 C ATOM 592 OE1 GLN A 101 -8.943 -1.928 10.929 1.00 0.00 O ATOM 593 NE2 GLN A 101 -7.930 0.023 11.389 1.00 0.00 N ATOM 0 H GLN A 101 -4.748 -0.149 7.288 1.00 0.00 H new ATOM 0 HA GLN A 101 -7.523 -0.649 6.399 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -6.966 -1.943 8.328 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -6.242 -0.563 9.130 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -8.571 0.541 8.949 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.164 -1.059 8.547 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -7.523 0.887 11.030 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -7.945 -0.155 12.393 1.00 0.00 H new ATOM 602 N SER A 102 -7.940 1.793 6.330 1.00 0.00 N ATOM 603 CA SER A 102 -8.270 3.197 6.311 1.00 0.00 C ATOM 604 C SER A 102 -8.618 3.673 7.712 1.00 0.00 C ATOM 605 O SER A 102 -8.782 2.865 8.627 1.00 0.00 O ATOM 606 CB SER A 102 -9.424 3.420 5.349 1.00 0.00 C ATOM 607 OG SER A 102 -9.004 4.128 4.195 1.00 0.00 O ATOM 0 H SER A 102 -8.422 1.236 5.624 1.00 0.00 H new ATOM 0 HA SER A 102 -7.412 3.777 5.971 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.846 2.459 5.055 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.216 3.976 5.851 1.00 0.00 H new ATOM 0 HG SER A 102 -9.767 4.255 3.593 1.00 0.00 H new ATOM 613 N LEU A 103 -8.702 4.976 7.890 1.00 0.00 N ATOM 614 CA LEU A 103 -9.010 5.526 9.203 1.00 0.00 C ATOM 615 C LEU A 103 -10.202 6.467 9.162 1.00 0.00 C ATOM 616 O LEU A 103 -10.887 6.659 10.166 1.00 0.00 O ATOM 617 CB LEU A 103 -7.780 6.212 9.766 1.00 0.00 C ATOM 618 CG LEU A 103 -6.705 5.229 10.231 1.00 0.00 C ATOM 619 CD1 LEU A 103 -5.647 5.075 9.161 1.00 0.00 C ATOM 620 CD2 LEU A 103 -6.082 5.657 11.550 1.00 0.00 C ATOM 0 H LEU A 103 -8.564 5.670 7.155 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.291 4.705 9.862 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.358 6.870 9.006 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.075 6.842 10.605 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.182 4.263 10.400 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.885 4.373 9.501 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.106 4.698 8.247 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.186 6.043 8.963 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -5.323 4.933 11.846 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.621 6.638 11.433 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.854 5.708 12.318 1.00 0.00 H new ATOM 632 N THR A 104 -10.468 7.025 7.995 1.00 0.00 N ATOM 633 CA THR A 104 -11.599 7.910 7.823 1.00 0.00 C ATOM 634 C THR A 104 -12.847 7.074 7.594 1.00 0.00 C ATOM 635 O THR A 104 -13.923 7.350 8.125 1.00 0.00 O ATOM 636 CB THR A 104 -11.355 8.826 6.634 1.00 0.00 C ATOM 637 OG1 THR A 104 -9.991 9.196 6.552 1.00 0.00 O ATOM 638 CG2 THR A 104 -12.168 10.084 6.702 1.00 0.00 C ATOM 0 H THR A 104 -9.913 6.879 7.152 1.00 0.00 H new ATOM 0 HA THR A 104 -11.732 8.523 8.714 1.00 0.00 H new ATOM 0 HB THR A 104 -11.653 8.256 5.754 1.00 0.00 H new ATOM 0 HG1 THR A 104 -9.655 9.010 5.650 1.00 0.00 H new ATOM 0 HG21 THR A 104 -11.956 10.702 5.830 1.00 0.00 H new ATOM 0 HG22 THR A 104 -13.228 9.832 6.719 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.912 10.634 7.607 1.00 0.00 H new ATOM 646 N THR A 105 -12.660 6.035 6.800 1.00 0.00 N ATOM 647 CA THR A 105 -13.705 5.088 6.453 1.00 0.00 C ATOM 648 C THR A 105 -13.435 3.763 7.150 1.00 0.00 C ATOM 649 O THR A 105 -14.342 3.048 7.579 1.00 0.00 O ATOM 650 CB THR A 105 -13.690 4.874 4.948 1.00 0.00 C ATOM 651 OG1 THR A 105 -12.864 3.777 4.598 1.00 0.00 O ATOM 652 CG2 THR A 105 -13.195 6.076 4.174 1.00 0.00 C ATOM 0 H THR A 105 -11.760 5.822 6.370 1.00 0.00 H new ATOM 0 HA THR A 105 -14.675 5.473 6.766 1.00 0.00 H new ATOM 0 HB THR A 105 -14.730 4.688 4.681 1.00 0.00 H new ATOM 0 HG1 THR A 105 -12.360 3.993 3.785 1.00 0.00 H new ATOM 0 HG21 THR A 105 -13.211 5.853 3.107 1.00 0.00 H new ATOM 0 HG22 THR A 105 -13.841 6.930 4.376 1.00 0.00 H new ATOM 0 HG23 THR A 105 -12.176 6.312 4.481 1.00 0.00 H new ATOM 660 N GLY A 106 -12.152 3.470 7.235 1.00 0.00 N ATOM 661 CA GLY A 106 -11.652 2.270 7.844 1.00 0.00 C ATOM 662 C GLY A 106 -11.707 1.068 6.932 1.00 0.00 C ATOM 663 O GLY A 106 -11.306 -0.029 7.322 1.00 0.00 O ATOM 0 H GLY A 106 -11.418 4.078 6.872 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -10.621 2.433 8.157 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -12.229 2.060 8.745 1.00 0.00 H new ATOM 667 N GLN A 107 -12.185 1.264 5.709 1.00 0.00 N ATOM 668 CA GLN A 107 -12.263 0.191 4.751 1.00 0.00 C ATOM 669 C GLN A 107 -10.930 -0.521 4.623 1.00 0.00 C ATOM 670 O GLN A 107 -9.906 0.090 4.318 1.00 0.00 O ATOM 671 CB GLN A 107 -12.722 0.744 3.426 1.00 0.00 C ATOM 672 CG GLN A 107 -14.225 0.818 3.348 1.00 0.00 C ATOM 673 CD GLN A 107 -14.761 2.222 3.544 1.00 0.00 C ATOM 674 OE1 GLN A 107 -15.388 2.525 4.559 1.00 0.00 O ATOM 675 NE2 GLN A 107 -14.517 3.089 2.568 1.00 0.00 N ATOM 0 H GLN A 107 -12.523 2.163 5.366 1.00 0.00 H new ATOM 0 HA GLN A 107 -12.987 -0.548 5.094 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.300 1.738 3.280 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -12.345 0.116 2.619 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -14.552 0.443 2.378 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -14.655 0.162 4.105 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -13.993 2.795 1.744 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -14.854 4.049 2.643 1.00 0.00 H new ATOM 684 N GLU A 108 -10.954 -1.815 4.883 1.00 0.00 N ATOM 685 CA GLU A 108 -9.748 -2.627 4.827 1.00 0.00 C ATOM 686 C GLU A 108 -9.508 -3.177 3.427 1.00 0.00 C ATOM 687 O GLU A 108 -10.449 -3.530 2.715 1.00 0.00 O ATOM 688 CB GLU A 108 -9.836 -3.771 5.834 1.00 0.00 C ATOM 689 CG GLU A 108 -10.107 -3.309 7.252 1.00 0.00 C ATOM 690 CD GLU A 108 -11.262 -4.048 7.899 1.00 0.00 C ATOM 691 OE1 GLU A 108 -11.120 -5.262 8.156 1.00 0.00 O ATOM 692 OE2 GLU A 108 -12.307 -3.413 8.150 1.00 0.00 O ATOM 0 H GLU A 108 -11.797 -2.330 5.136 1.00 0.00 H new ATOM 0 HA GLU A 108 -8.904 -1.987 5.083 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.626 -4.456 5.526 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -8.902 -4.333 5.816 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -9.209 -3.450 7.853 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -10.323 -2.241 7.246 1.00 0.00 H new ATOM 699 N GLY A 109 -8.238 -3.246 3.041 1.00 0.00 N ATOM 700 CA GLY A 109 -7.886 -3.753 1.730 1.00 0.00 C ATOM 701 C GLY A 109 -6.405 -3.612 1.439 1.00 0.00 C ATOM 702 O GLY A 109 -5.655 -3.065 2.247 1.00 0.00 O ATOM 0 H GLY A 109 -7.445 -2.959 3.615 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.170 -4.803 1.661 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.456 -3.218 0.971 1.00 0.00 H new ATOM 706 N PHE A 110 -5.988 -4.105 0.283 1.00 0.00 N ATOM 707 CA PHE A 110 -4.597 -4.039 -0.123 1.00 0.00 C ATOM 708 C PHE A 110 -4.301 -2.702 -0.793 1.00 0.00 C ATOM 709 O PHE A 110 -5.197 -2.067 -1.346 1.00 0.00 O ATOM 710 CB PHE A 110 -4.293 -5.189 -1.075 1.00 0.00 C ATOM 711 CG PHE A 110 -3.739 -6.406 -0.390 1.00 0.00 C ATOM 712 CD1 PHE A 110 -4.311 -6.877 0.782 1.00 0.00 C ATOM 713 CD2 PHE A 110 -2.648 -7.079 -0.917 1.00 0.00 C ATOM 714 CE1 PHE A 110 -3.804 -7.997 1.415 1.00 0.00 C ATOM 715 CE2 PHE A 110 -2.138 -8.198 -0.288 1.00 0.00 C ATOM 716 CZ PHE A 110 -2.716 -8.658 0.879 1.00 0.00 C ATOM 0 H PHE A 110 -6.601 -4.559 -0.394 1.00 0.00 H new ATOM 0 HA PHE A 110 -3.962 -4.125 0.759 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -5.206 -5.464 -1.603 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -3.580 -4.849 -1.826 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -5.162 -6.364 1.205 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -2.192 -6.725 -1.829 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.258 -8.354 2.327 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -1.287 -8.713 -0.709 1.00 0.00 H new ATOM 0 HZ PHE A 110 -2.318 -9.533 1.372 1.00 0.00 H new ATOM 726 N ILE A 111 -3.048 -2.270 -0.737 1.00 0.00 N ATOM 727 CA ILE A 111 -2.668 -0.999 -1.338 1.00 0.00 C ATOM 728 C ILE A 111 -1.224 -1.005 -1.830 1.00 0.00 C ATOM 729 O ILE A 111 -0.334 -1.579 -1.200 1.00 0.00 O ATOM 730 CB ILE A 111 -2.844 0.164 -0.339 1.00 0.00 C ATOM 731 CG1 ILE A 111 -1.902 -0.025 0.851 1.00 0.00 C ATOM 732 CG2 ILE A 111 -4.290 0.259 0.121 1.00 0.00 C ATOM 733 CD1 ILE A 111 -1.436 1.270 1.480 1.00 0.00 C ATOM 0 H ILE A 111 -2.285 -2.775 -0.287 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.330 -0.857 -2.192 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.590 1.100 -0.837 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.407 -0.624 1.609 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -1.030 -0.592 0.525 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.394 1.085 0.825 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.935 0.433 -0.740 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.579 -0.672 0.609 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.772 1.050 2.316 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.901 1.863 0.738 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -2.299 1.831 1.839 1.00 0.00 H new ATOM 745 N PRO A 112 -0.979 -0.338 -2.963 1.00 0.00 N ATOM 746 CA PRO A 112 0.350 -0.224 -3.551 1.00 0.00 C ATOM 747 C PRO A 112 1.371 0.257 -2.520 1.00 0.00 C ATOM 748 O PRO A 112 1.324 1.404 -2.077 1.00 0.00 O ATOM 749 CB PRO A 112 0.176 0.815 -4.673 1.00 0.00 C ATOM 750 CG PRO A 112 -1.201 1.372 -4.514 1.00 0.00 C ATOM 751 CD PRO A 112 -1.989 0.367 -3.739 1.00 0.00 C ATOM 0 HA PRO A 112 0.724 -1.180 -3.917 1.00 0.00 H new ATOM 0 HB2 PRO A 112 0.926 1.602 -4.595 1.00 0.00 H new ATOM 0 HB3 PRO A 112 0.299 0.354 -5.653 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -1.173 2.328 -3.990 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.658 1.555 -5.486 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -2.727 0.846 -3.095 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -2.533 -0.310 -4.398 1.00 0.00 H new ATOM 759 N PHE A 113 2.278 -0.632 -2.123 1.00 0.00 N ATOM 760 CA PHE A 113 3.293 -0.302 -1.123 1.00 0.00 C ATOM 761 C PHE A 113 3.994 1.024 -1.430 1.00 0.00 C ATOM 762 O PHE A 113 4.497 1.691 -0.526 1.00 0.00 O ATOM 763 CB PHE A 113 4.321 -1.436 -1.007 1.00 0.00 C ATOM 764 CG PHE A 113 5.391 -1.412 -2.066 1.00 0.00 C ATOM 765 CD1 PHE A 113 5.068 -1.205 -3.398 1.00 0.00 C ATOM 766 CD2 PHE A 113 6.722 -1.594 -1.726 1.00 0.00 C ATOM 767 CE1 PHE A 113 6.051 -1.181 -4.369 1.00 0.00 C ATOM 768 CE2 PHE A 113 7.709 -1.570 -2.692 1.00 0.00 C ATOM 769 CZ PHE A 113 7.373 -1.363 -4.016 1.00 0.00 C ATOM 0 H PHE A 113 2.332 -1.587 -2.478 1.00 0.00 H new ATOM 0 HA PHE A 113 2.781 -0.186 -0.168 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.795 -1.382 -0.027 1.00 0.00 H new ATOM 0 HB3 PHE A 113 3.798 -2.391 -1.057 1.00 0.00 H new ATOM 0 HD1 PHE A 113 4.036 -1.061 -3.680 1.00 0.00 H new ATOM 0 HD2 PHE A 113 6.991 -1.757 -0.693 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.785 -1.020 -5.403 1.00 0.00 H new ATOM 0 HE2 PHE A 113 8.742 -1.713 -2.413 1.00 0.00 H new ATOM 0 HZ PHE A 113 8.143 -1.344 -4.773 1.00 0.00 H new ATOM 779 N ASN A 114 4.030 1.400 -2.704 1.00 0.00 N ATOM 780 CA ASN A 114 4.674 2.644 -3.112 1.00 0.00 C ATOM 781 C ASN A 114 3.649 3.757 -3.313 1.00 0.00 C ATOM 782 O ASN A 114 3.836 4.642 -4.147 1.00 0.00 O ATOM 783 CB ASN A 114 5.472 2.430 -4.386 1.00 0.00 C ATOM 784 CG ASN A 114 6.953 2.696 -4.197 1.00 0.00 C ATOM 785 OD1 ASN A 114 7.514 2.427 -3.134 1.00 0.00 O ATOM 786 ND2 ASN A 114 7.596 3.230 -5.228 1.00 0.00 N ATOM 0 H ASN A 114 3.622 0.863 -3.470 1.00 0.00 H new ATOM 0 HA ASN A 114 5.352 2.949 -2.315 1.00 0.00 H new ATOM 0 HB2 ASN A 114 5.332 1.406 -4.731 1.00 0.00 H new ATOM 0 HB3 ASN A 114 5.086 3.085 -5.167 1.00 0.00 H new ATOM 0 HD21 ASN A 114 8.593 3.433 -5.158 1.00 0.00 H new ATOM 0 HD22 ASN A 114 7.093 3.437 -6.091 1.00 0.00 H new ATOM 793 N PHE A 115 2.562 3.701 -2.550 1.00 0.00 N ATOM 794 CA PHE A 115 1.504 4.701 -2.653 1.00 0.00 C ATOM 795 C PHE A 115 1.245 5.396 -1.321 1.00 0.00 C ATOM 796 O PHE A 115 0.189 6.001 -1.139 1.00 0.00 O ATOM 797 CB PHE A 115 0.211 4.038 -3.117 1.00 0.00 C ATOM 798 CG PHE A 115 -0.363 4.634 -4.365 1.00 0.00 C ATOM 799 CD1 PHE A 115 0.419 4.809 -5.494 1.00 0.00 C ATOM 800 CD2 PHE A 115 -1.689 5.016 -4.406 1.00 0.00 C ATOM 801 CE1 PHE A 115 -0.118 5.358 -6.643 1.00 0.00 C ATOM 802 CE2 PHE A 115 -2.232 5.564 -5.546 1.00 0.00 C ATOM 803 CZ PHE A 115 -1.447 5.737 -6.669 1.00 0.00 C ATOM 0 H PHE A 115 2.390 2.975 -1.854 1.00 0.00 H new ATOM 0 HA PHE A 115 1.834 5.449 -3.374 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.398 2.978 -3.285 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.528 4.108 -2.319 1.00 0.00 H new ATOM 0 HD1 PHE A 115 1.458 4.514 -5.477 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -2.309 4.883 -3.532 1.00 0.00 H new ATOM 0 HE1 PHE A 115 0.500 5.491 -7.519 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.271 5.858 -5.562 1.00 0.00 H new ATOM 0 HZ PHE A 115 -1.870 6.167 -7.565 1.00 0.00 H new ATOM 813 N VAL A 116 2.183 5.303 -0.385 1.00 0.00 N ATOM 814 CA VAL A 116 1.981 5.928 0.915 1.00 0.00 C ATOM 815 C VAL A 116 3.286 6.283 1.617 1.00 0.00 C ATOM 816 O VAL A 116 4.310 5.622 1.443 1.00 0.00 O ATOM 817 CB VAL A 116 1.154 5.021 1.841 1.00 0.00 C ATOM 818 CG1 VAL A 116 -0.277 4.917 1.339 1.00 0.00 C ATOM 819 CG2 VAL A 116 1.793 3.642 1.956 1.00 0.00 C ATOM 0 H VAL A 116 3.070 4.813 -0.497 1.00 0.00 H new ATOM 0 HA VAL A 116 1.442 6.854 0.714 1.00 0.00 H new ATOM 0 HB VAL A 116 1.136 5.466 2.836 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -0.850 4.272 2.005 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -0.728 5.909 1.318 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -0.280 4.496 0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 116 1.192 3.016 2.616 1.00 0.00 H new ATOM 0 HG22 VAL A 116 1.846 3.182 0.969 1.00 0.00 H new ATOM 0 HG23 VAL A 116 2.798 3.740 2.366 1.00 0.00 H new ATOM 829 N ALA A 117 3.215 7.331 2.431 1.00 0.00 N ATOM 830 CA ALA A 117 4.352 7.805 3.204 1.00 0.00 C ATOM 831 C ALA A 117 3.888 8.203 4.600 1.00 0.00 C ATOM 832 O ALA A 117 2.817 8.788 4.757 1.00 0.00 O ATOM 833 CB ALA A 117 5.022 8.978 2.505 1.00 0.00 C ATOM 0 H ALA A 117 2.364 7.875 2.572 1.00 0.00 H new ATOM 0 HA ALA A 117 5.085 7.003 3.289 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.870 9.319 3.098 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.370 8.664 1.521 1.00 0.00 H new ATOM 0 HB3 ALA A 117 4.306 9.793 2.394 1.00 0.00 H new ATOM 839 N LYS A 118 4.683 7.871 5.613 1.00 0.00 N ATOM 840 CA LYS A 118 4.338 8.179 7.002 1.00 0.00 C ATOM 841 C LYS A 118 3.696 9.556 7.142 1.00 0.00 C ATOM 842 O LYS A 118 4.122 10.516 6.501 1.00 0.00 O ATOM 843 CB LYS A 118 5.587 8.100 7.882 1.00 0.00 C ATOM 844 CG LYS A 118 6.189 6.707 7.964 1.00 0.00 C ATOM 845 CD LYS A 118 5.122 5.660 8.232 1.00 0.00 C ATOM 846 CE LYS A 118 5.719 4.267 8.342 1.00 0.00 C ATOM 847 NZ LYS A 118 6.564 3.930 7.164 1.00 0.00 N ATOM 0 H LYS A 118 5.574 7.387 5.500 1.00 0.00 H new ATOM 0 HA LYS A 118 3.608 7.438 7.328 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.338 8.789 7.494 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.334 8.437 8.887 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.703 6.475 7.031 1.00 0.00 H new ATOM 0 HG3 LYS A 118 6.937 6.678 8.756 1.00 0.00 H new ATOM 0 HD2 LYS A 118 4.595 5.904 9.155 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.384 5.678 7.430 1.00 0.00 H new ATOM 0 HE2 LYS A 118 6.319 4.200 9.250 1.00 0.00 H new ATOM 0 HE3 LYS A 118 4.917 3.535 8.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 6.771 2.911 7.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 6.057 4.179 6.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 7.455 4.464 7.212 1.00 0.00 H new ATOM 861 N ALA A 119 2.669 9.641 7.987 1.00 0.00 N ATOM 862 CA ALA A 119 1.965 10.903 8.221 1.00 0.00 C ATOM 863 C ALA A 119 2.849 11.890 8.979 1.00 0.00 C ATOM 864 O ALA A 119 2.464 12.406 10.028 1.00 0.00 O ATOM 865 CB ALA A 119 0.665 10.669 8.990 1.00 0.00 C ATOM 0 H ALA A 119 2.306 8.852 8.521 1.00 0.00 H new ATOM 0 HA ALA A 119 1.722 11.330 7.248 1.00 0.00 H new ATOM 0 HB1 ALA A 119 0.161 11.622 9.151 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.016 10.008 8.415 1.00 0.00 H new ATOM 0 HB3 ALA A 119 0.889 10.210 9.953 1.00 0.00 H new ATOM 871 N ASN A 120 4.036 12.148 8.442 1.00 0.00 N ATOM 872 CA ASN A 120 4.975 13.073 9.067 1.00 0.00 C ATOM 873 C ASN A 120 5.695 13.910 8.015 1.00 0.00 C ATOM 874 O ASN A 120 6.233 14.977 8.377 1.00 0.00 O ATOM 875 CB ASN A 120 5.994 12.303 9.911 1.00 0.00 C ATOM 876 CG ASN A 120 5.630 12.286 11.382 1.00 0.00 C ATOM 877 OD1 ASN A 120 4.535 11.866 11.758 1.00 0.00 O ATOM 878 ND2 ASN A 120 6.549 12.746 12.224 1.00 0.00 N ATOM 879 OXT ASN A 120 5.715 13.491 6.838 1.00 0.00 O ATOM 0 H ASN A 120 4.371 11.729 7.574 1.00 0.00 H new ATOM 0 HA ASN A 120 4.411 13.745 9.714 1.00 0.00 H new ATOM 0 HB2 ASN A 120 6.065 11.279 9.545 1.00 0.00 H new ATOM 0 HB3 ASN A 120 6.979 12.754 9.788 1.00 0.00 H new ATOM 0 HD21 ASN A 120 6.361 12.761 13.226 1.00 0.00 H new ATOM 0 HD22 ASN A 120 7.443 13.084 11.868 1.00 0.00 H new