USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 663 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 38 ASN : amide:sc= -0.0846 K(o=-0.14,f=-4.9!) USER MOD Set 1.2: A 48 LYS NZ :NH3+ -163:sc= -0.0579 (180deg=-0.448) USER MOD Single : A 4 LYS NZ :NH3+ 179:sc= 1.26 (180deg=1.25) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= -0.215 USER MOD Single : A 8 GLN : amide:sc= -0.0128 K(o=-0.013,f=-1.1) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl -145:sc= -0.302 (180deg=-0.722) USER MOD Single : A 21 HIS : no HE2:sc= 0.98 K(o=0.98,f=-5.5!) USER MOD Single : A 27 HIS :FLIP no HD1:sc= 0.0502 F(o=-0.5,f=0.05) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN :FLIP amide:sc= -0.117 F(o=-2.6!,f=-0.12) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 167:sc= -0.0146 (180deg=-0.195) USER MOD Single : A 57 GLN : amide:sc= -0.0353 X(o=-0.035,f=-0.028) USER MOD Single : A 59 TYR OH : rot 72:sc= 0.00364 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.16) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -12.052 6.893 -4.717 1.00 0.00 N ATOM 2 CA GLY A 2 -11.398 7.179 -3.465 1.00 0.00 C ATOM 3 C GLY A 2 -9.916 7.247 -3.628 1.00 0.00 C ATOM 4 O GLY A 2 -9.381 8.252 -4.099 1.00 0.00 O ATOM 0 HA2 GLY A 2 -11.766 8.125 -3.069 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -11.650 6.409 -2.736 1.00 0.00 H new ATOM 10 N ILE A 3 -9.272 6.128 -3.322 1.00 0.00 N ATOM 11 CA ILE A 3 -7.816 5.957 -3.278 1.00 0.00 C ATOM 12 C ILE A 3 -7.045 6.615 -4.455 1.00 0.00 C ATOM 13 O ILE A 3 -5.996 7.224 -4.236 1.00 0.00 O ATOM 14 CB ILE A 3 -7.452 4.435 -3.154 1.00 0.00 C ATOM 15 CG1 ILE A 3 -5.957 4.193 -2.875 1.00 0.00 C ATOM 16 CG2 ILE A 3 -7.895 3.652 -4.377 1.00 0.00 C ATOM 17 CD1 ILE A 3 -5.465 4.813 -1.594 1.00 0.00 C ATOM 0 H ILE A 3 -9.770 5.270 -3.085 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.485 6.495 -2.390 1.00 0.00 H new ATOM 0 HB ILE A 3 -8.003 4.069 -2.287 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.773 3.119 -2.841 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.374 4.590 -3.706 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -7.626 2.603 -4.254 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.975 3.738 -4.493 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -7.402 4.052 -5.263 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.404 4.598 -1.470 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.614 5.892 -1.631 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.020 4.399 -0.752 1.00 0.00 H new ATOM 29 N LYS A 4 -7.571 6.560 -5.676 1.00 0.00 N ATOM 30 CA LYS A 4 -6.811 7.099 -6.794 1.00 0.00 C ATOM 31 C LYS A 4 -6.800 8.631 -6.887 1.00 0.00 C ATOM 32 O LYS A 4 -6.035 9.199 -7.672 1.00 0.00 O ATOM 33 CB LYS A 4 -7.144 6.464 -8.143 1.00 0.00 C ATOM 34 CG LYS A 4 -8.581 6.558 -8.581 1.00 0.00 C ATOM 35 CD LYS A 4 -8.671 6.277 -10.066 1.00 0.00 C ATOM 36 CE LYS A 4 -10.091 6.209 -10.547 1.00 0.00 C ATOM 37 NZ LYS A 4 -10.748 4.946 -10.167 1.00 0.00 N ATOM 0 H LYS A 4 -8.482 6.165 -5.909 1.00 0.00 H new ATOM 0 HA LYS A 4 -5.791 6.804 -6.550 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.521 6.932 -8.906 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.865 5.411 -8.105 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.190 5.844 -8.027 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.976 7.550 -8.362 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.141 7.056 -10.614 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.169 5.335 -10.286 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.653 7.047 -10.135 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.111 6.315 -11.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.731 4.951 -10.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.238 4.147 -10.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.739 4.848 -9.132 1.00 0.00 H new ATOM 51 N GLN A 5 -7.604 9.310 -6.095 1.00 0.00 N ATOM 52 CA GLN A 5 -7.587 10.766 -6.143 1.00 0.00 C ATOM 53 C GLN A 5 -6.787 11.344 -4.971 1.00 0.00 C ATOM 54 O GLN A 5 -6.818 12.552 -4.701 1.00 0.00 O ATOM 55 CB GLN A 5 -9.005 11.385 -6.275 1.00 0.00 C ATOM 56 CG GLN A 5 -9.971 11.136 -5.128 1.00 0.00 C ATOM 57 CD GLN A 5 -11.339 11.748 -5.400 1.00 0.00 C ATOM 58 OE1 GLN A 5 -11.599 12.894 -5.073 1.00 0.00 O ATOM 59 NE2 GLN A 5 -12.213 10.993 -6.000 1.00 0.00 N ATOM 0 H GLN A 5 -8.259 8.899 -5.430 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.070 11.053 -7.059 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -8.895 12.462 -6.399 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -9.458 11.004 -7.190 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.078 10.063 -4.969 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.561 11.556 -4.209 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.968 10.038 -6.262 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -13.143 11.356 -6.208 1.00 0.00 H new ATOM 68 N TYR A 6 -6.028 10.478 -4.313 1.00 0.00 N ATOM 69 CA TYR A 6 -5.173 10.879 -3.200 1.00 0.00 C ATOM 70 C TYR A 6 -3.775 11.189 -3.735 1.00 0.00 C ATOM 71 O TYR A 6 -3.409 10.732 -4.824 1.00 0.00 O ATOM 72 CB TYR A 6 -5.041 9.752 -2.161 1.00 0.00 C ATOM 73 CG TYR A 6 -6.327 9.260 -1.503 1.00 0.00 C ATOM 74 CD1 TYR A 6 -7.562 9.851 -1.736 1.00 0.00 C ATOM 75 CD2 TYR A 6 -6.283 8.181 -0.650 1.00 0.00 C ATOM 76 CE1 TYR A 6 -8.705 9.368 -1.133 1.00 0.00 C ATOM 77 CE2 TYR A 6 -7.420 7.690 -0.049 1.00 0.00 C ATOM 78 CZ TYR A 6 -8.626 8.286 -0.294 1.00 0.00 C ATOM 79 OH TYR A 6 -9.762 7.788 0.298 1.00 0.00 O ATOM 0 H TYR A 6 -5.986 9.483 -4.533 1.00 0.00 H new ATOM 0 HA TYR A 6 -5.623 11.751 -2.726 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -4.561 8.901 -2.644 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -4.368 10.094 -1.375 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -7.629 10.701 -2.399 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -5.334 7.708 -0.447 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -9.658 9.840 -1.321 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -7.360 6.838 0.613 1.00 0.00 H new ATOM 0 HH TYR A 6 -9.528 7.020 0.860 1.00 0.00 H new ATOM 89 N SER A 7 -3.013 11.942 -2.986 1.00 0.00 N ATOM 90 CA SER A 7 -1.656 12.269 -3.357 1.00 0.00 C ATOM 91 C SER A 7 -0.687 11.515 -2.441 1.00 0.00 C ATOM 92 O SER A 7 -1.111 10.890 -1.456 1.00 0.00 O ATOM 93 CB SER A 7 -1.432 13.792 -3.256 1.00 0.00 C ATOM 94 OG SER A 7 -0.094 14.143 -3.576 1.00 0.00 O ATOM 0 H SER A 7 -3.314 12.348 -2.100 1.00 0.00 H new ATOM 0 HA SER A 7 -1.475 11.968 -4.389 1.00 0.00 H new ATOM 0 HB2 SER A 7 -2.116 14.307 -3.931 1.00 0.00 H new ATOM 0 HB3 SER A 7 -1.666 14.129 -2.246 1.00 0.00 H new ATOM 0 HG SER A 7 0.015 15.114 -3.504 1.00 0.00 H new ATOM 100 N GLN A 8 0.610 11.601 -2.740 1.00 0.00 N ATOM 101 CA GLN A 8 1.644 10.933 -1.960 1.00 0.00 C ATOM 102 C GLN A 8 1.635 11.399 -0.517 1.00 0.00 C ATOM 103 O GLN A 8 1.868 10.613 0.371 1.00 0.00 O ATOM 104 CB GLN A 8 3.032 11.149 -2.556 1.00 0.00 C ATOM 105 CG GLN A 8 3.410 12.604 -2.728 1.00 0.00 C ATOM 106 CD GLN A 8 4.852 12.783 -3.127 1.00 0.00 C ATOM 107 OE1 GLN A 8 5.708 11.980 -2.774 1.00 0.00 O ATOM 108 NE2 GLN A 8 5.139 13.830 -3.839 1.00 0.00 N ATOM 0 H GLN A 8 0.970 12.136 -3.530 1.00 0.00 H new ATOM 0 HA GLN A 8 1.416 9.868 -1.990 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.770 10.666 -1.915 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.080 10.655 -3.526 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.768 13.056 -3.485 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.226 13.137 -1.795 1.00 0.00 H new ATOM 0 HE21 GLN A 8 4.400 14.477 -4.115 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.103 14.005 -4.123 1.00 0.00 H new ATOM 117 N GLU A 9 1.305 12.679 -0.310 1.00 0.00 N ATOM 118 CA GLU A 9 1.250 13.310 1.024 1.00 0.00 C ATOM 119 C GLU A 9 0.355 12.522 1.945 1.00 0.00 C ATOM 120 O GLU A 9 0.632 12.351 3.125 1.00 0.00 O ATOM 121 CB GLU A 9 0.687 14.717 0.886 1.00 0.00 C ATOM 122 CG GLU A 9 1.491 15.606 -0.024 1.00 0.00 C ATOM 123 CD GLU A 9 2.882 15.847 0.492 1.00 0.00 C ATOM 124 OE1 GLU A 9 3.793 15.071 0.165 1.00 0.00 O ATOM 125 OE2 GLU A 9 3.085 16.837 1.215 1.00 0.00 O ATOM 0 H GLU A 9 1.065 13.317 -1.069 1.00 0.00 H new ATOM 0 HA GLU A 9 2.257 13.338 1.440 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.334 14.655 0.509 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.634 15.176 1.873 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.547 15.153 -1.014 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.979 16.561 -0.140 1.00 0.00 H new ATOM 132 N GLU A 10 -0.701 12.066 1.368 1.00 0.00 N ATOM 133 CA GLU A 10 -1.705 11.286 2.009 1.00 0.00 C ATOM 134 C GLU A 10 -1.249 9.835 2.140 1.00 0.00 C ATOM 135 O GLU A 10 -1.175 9.276 3.227 1.00 0.00 O ATOM 136 CB GLU A 10 -2.936 11.378 1.125 1.00 0.00 C ATOM 137 CG GLU A 10 -4.147 10.628 1.605 1.00 0.00 C ATOM 138 CD GLU A 10 -5.405 11.382 1.295 1.00 0.00 C ATOM 139 OE1 GLU A 10 -5.561 11.862 0.159 1.00 0.00 O ATOM 140 OE2 GLU A 10 -6.235 11.546 2.196 1.00 0.00 O ATOM 0 H GLU A 10 -0.900 12.236 0.382 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.910 11.650 3.016 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.203 12.429 1.016 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.675 11.011 0.132 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.182 9.646 1.133 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.074 10.462 2.680 1.00 0.00 H new ATOM 147 N LEU A 11 -0.887 9.273 1.017 1.00 0.00 N ATOM 148 CA LEU A 11 -0.551 7.867 0.893 1.00 0.00 C ATOM 149 C LEU A 11 0.653 7.447 1.729 1.00 0.00 C ATOM 150 O LEU A 11 0.710 6.320 2.198 1.00 0.00 O ATOM 151 CB LEU A 11 -0.352 7.547 -0.574 1.00 0.00 C ATOM 152 CG LEU A 11 -1.578 7.805 -1.444 1.00 0.00 C ATOM 153 CD1 LEU A 11 -1.226 7.734 -2.899 1.00 0.00 C ATOM 154 CD2 LEU A 11 -2.671 6.815 -1.124 1.00 0.00 C ATOM 0 H LEU A 11 -0.814 9.787 0.139 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.381 7.286 1.296 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.480 8.140 -0.954 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.067 6.499 -0.670 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.940 8.810 -1.227 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.117 7.921 -3.498 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.470 8.485 -3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.835 6.743 -3.131 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.538 7.014 -1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.311 5.803 -1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.954 6.912 -0.076 1.00 0.00 H new ATOM 166 N LYS A 12 1.587 8.356 1.957 1.00 0.00 N ATOM 167 CA LYS A 12 2.765 8.019 2.739 1.00 0.00 C ATOM 168 C LYS A 12 2.485 8.023 4.245 1.00 0.00 C ATOM 169 O LYS A 12 3.358 7.681 5.030 1.00 0.00 O ATOM 170 CB LYS A 12 4.001 8.883 2.372 1.00 0.00 C ATOM 171 CG LYS A 12 3.852 10.378 2.606 1.00 0.00 C ATOM 172 CD LYS A 12 5.084 11.148 2.129 1.00 0.00 C ATOM 173 CE LYS A 12 4.879 12.642 2.302 1.00 0.00 C ATOM 174 NZ LYS A 12 6.057 13.448 1.932 1.00 0.00 N ATOM 0 H LYS A 12 1.555 9.318 1.618 1.00 0.00 H new ATOM 0 HA LYS A 12 3.020 6.994 2.469 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.855 8.527 2.949 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.236 8.720 1.320 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.969 10.743 2.082 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.693 10.567 3.668 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.960 10.828 2.692 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.278 10.921 1.081 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.030 12.956 1.695 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.621 12.847 3.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.846 14.456 2.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.865 13.175 2.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.292 13.281 0.933 1.00 0.00 H new ATOM 188 N GLU A 13 1.265 8.396 4.645 1.00 0.00 N ATOM 189 CA GLU A 13 0.886 8.340 6.061 1.00 0.00 C ATOM 190 C GLU A 13 0.223 7.007 6.368 1.00 0.00 C ATOM 191 O GLU A 13 -0.011 6.667 7.536 1.00 0.00 O ATOM 192 CB GLU A 13 -0.114 9.429 6.448 1.00 0.00 C ATOM 193 CG GLU A 13 0.329 10.855 6.262 1.00 0.00 C ATOM 194 CD GLU A 13 -0.612 11.796 6.968 1.00 0.00 C ATOM 195 OE1 GLU A 13 -0.457 11.978 8.189 1.00 0.00 O ATOM 196 OE2 GLU A 13 -1.528 12.342 6.338 1.00 0.00 O ATOM 0 H GLU A 13 0.533 8.735 4.020 1.00 0.00 H new ATOM 0 HA GLU A 13 1.808 8.480 6.626 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.023 9.277 5.866 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.379 9.290 7.496 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.339 10.982 6.651 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.364 11.096 5.199 1.00 0.00 H new ATOM 203 N MET A 14 -0.083 6.263 5.332 1.00 0.00 N ATOM 204 CA MET A 14 -0.830 5.034 5.480 1.00 0.00 C ATOM 205 C MET A 14 0.081 3.853 5.698 1.00 0.00 C ATOM 206 O MET A 14 1.314 3.961 5.615 1.00 0.00 O ATOM 207 CB MET A 14 -1.684 4.747 4.238 1.00 0.00 C ATOM 208 CG MET A 14 -2.735 5.779 3.907 1.00 0.00 C ATOM 209 SD MET A 14 -3.728 5.293 2.478 1.00 0.00 S ATOM 210 CE MET A 14 -4.757 6.739 2.277 1.00 0.00 C ATOM 0 H MET A 14 0.175 6.488 4.371 1.00 0.00 H new ATOM 0 HA MET A 14 -1.471 5.171 6.351 1.00 0.00 H new ATOM 0 HB2 MET A 14 -1.020 4.645 3.380 1.00 0.00 H new ATOM 0 HB3 MET A 14 -2.178 3.785 4.375 1.00 0.00 H new ATOM 0 HG2 MET A 14 -3.386 5.924 4.769 1.00 0.00 H new ATOM 0 HG3 MET A 14 -2.254 6.736 3.706 1.00 0.00 H new ATOM 0 HE1 MET A 14 -5.747 6.436 1.936 1.00 0.00 H new ATOM 0 HE2 MET A 14 -4.844 7.259 3.231 1.00 0.00 H new ATOM 0 HE3 MET A 14 -4.308 7.406 1.541 1.00 0.00 H new ATOM 220 N ALA A 15 -0.534 2.744 5.999 1.00 0.00 N ATOM 221 CA ALA A 15 0.136 1.483 6.068 1.00 0.00 C ATOM 222 C ALA A 15 0.052 0.870 4.686 1.00 0.00 C ATOM 223 O ALA A 15 -0.854 1.218 3.918 1.00 0.00 O ATOM 224 CB ALA A 15 -0.540 0.585 7.089 1.00 0.00 C ATOM 0 H ALA A 15 -1.531 2.694 6.206 1.00 0.00 H new ATOM 0 HA ALA A 15 1.174 1.605 6.377 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.020 -0.372 7.132 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.507 1.060 8.069 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.578 0.422 6.799 1.00 0.00 H new ATOM 230 N LEU A 16 0.937 -0.037 4.376 1.00 0.00 N ATOM 231 CA LEU A 16 1.007 -0.637 3.042 1.00 0.00 C ATOM 232 C LEU A 16 -0.278 -1.341 2.682 1.00 0.00 C ATOM 233 O LEU A 16 -0.895 -1.077 1.634 1.00 0.00 O ATOM 234 CB LEU A 16 2.196 -1.594 2.956 1.00 0.00 C ATOM 235 CG LEU A 16 3.551 -0.948 3.187 1.00 0.00 C ATOM 236 CD1 LEU A 16 4.680 -1.927 2.968 1.00 0.00 C ATOM 237 CD2 LEU A 16 3.687 0.238 2.286 1.00 0.00 C ATOM 0 H LEU A 16 1.636 -0.391 5.029 1.00 0.00 H new ATOM 0 HA LEU A 16 1.150 0.165 2.318 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.058 -2.389 3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.196 -2.064 1.972 1.00 0.00 H new ATOM 0 HG LEU A 16 3.613 -0.624 4.226 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.633 -1.428 3.143 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.576 -2.763 3.660 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.647 -2.298 1.943 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.658 0.707 2.446 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.606 -0.083 1.247 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.896 0.955 2.507 1.00 0.00 H new ATOM 249 N VAL A 17 -0.694 -2.187 3.557 1.00 0.00 N ATOM 250 CA VAL A 17 -1.905 -2.935 3.409 1.00 0.00 C ATOM 251 C VAL A 17 -3.154 -2.022 3.432 1.00 0.00 C ATOM 252 O VAL A 17 -4.175 -2.336 2.822 1.00 0.00 O ATOM 253 CB VAL A 17 -1.965 -4.005 4.514 1.00 0.00 C ATOM 254 CG1 VAL A 17 -2.045 -3.370 5.908 1.00 0.00 C ATOM 255 CG2 VAL A 17 -3.075 -5.005 4.294 1.00 0.00 C ATOM 0 H VAL A 17 -0.192 -2.388 4.422 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.905 -3.422 2.434 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.030 -4.563 4.457 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.086 -4.155 6.663 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.165 -2.750 6.076 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.941 -2.754 5.976 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.071 -5.736 5.102 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.034 -4.487 4.278 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.922 -5.515 3.343 1.00 0.00 H new ATOM 265 N GLU A 18 -3.030 -0.869 4.063 1.00 0.00 N ATOM 266 CA GLU A 18 -4.133 0.058 4.179 1.00 0.00 C ATOM 267 C GLU A 18 -4.399 0.729 2.841 1.00 0.00 C ATOM 268 O GLU A 18 -5.549 0.912 2.448 1.00 0.00 O ATOM 269 CB GLU A 18 -3.863 1.075 5.281 1.00 0.00 C ATOM 270 CG GLU A 18 -4.953 2.106 5.466 1.00 0.00 C ATOM 271 CD GLU A 18 -4.707 2.965 6.659 1.00 0.00 C ATOM 272 OE1 GLU A 18 -3.923 3.922 6.570 1.00 0.00 O ATOM 273 OE2 GLU A 18 -5.293 2.692 7.724 1.00 0.00 O ATOM 0 H GLU A 18 -2.167 -0.553 4.506 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.032 -0.491 4.458 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.721 0.543 6.222 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.928 1.590 5.061 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.017 2.731 4.575 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.914 1.603 5.572 1.00 0.00 H new ATOM 280 N ILE A 19 -3.328 1.046 2.129 1.00 0.00 N ATOM 281 CA ILE A 19 -3.435 1.633 0.801 1.00 0.00 C ATOM 282 C ILE A 19 -4.137 0.629 -0.117 1.00 0.00 C ATOM 283 O ILE A 19 -5.116 0.954 -0.799 1.00 0.00 O ATOM 284 CB ILE A 19 -2.035 1.961 0.211 1.00 0.00 C ATOM 285 CG1 ILE A 19 -1.254 2.890 1.149 1.00 0.00 C ATOM 286 CG2 ILE A 19 -2.186 2.605 -1.161 1.00 0.00 C ATOM 287 CD1 ILE A 19 0.164 3.189 0.695 1.00 0.00 C ATOM 0 H ILE A 19 -2.370 0.906 2.450 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.000 2.562 0.875 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.476 1.031 0.108 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.798 3.830 1.246 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.218 2.439 2.141 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.200 2.832 -1.567 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.705 1.919 -1.830 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.761 3.526 -1.069 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.644 3.852 1.415 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.728 2.259 0.626 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.139 3.671 -0.282 1.00 0.00 H new ATOM 299 N ALA A 20 -3.643 -0.602 -0.080 1.00 0.00 N ATOM 300 CA ALA A 20 -4.190 -1.710 -0.852 1.00 0.00 C ATOM 301 C ALA A 20 -5.674 -1.926 -0.535 1.00 0.00 C ATOM 302 O ALA A 20 -6.494 -2.124 -1.444 1.00 0.00 O ATOM 303 CB ALA A 20 -3.391 -2.974 -0.589 1.00 0.00 C ATOM 0 H ALA A 20 -2.841 -0.862 0.494 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.113 -1.462 -1.911 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.808 -3.796 -1.171 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.352 -2.815 -0.879 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.438 -3.220 0.472 1.00 0.00 H new ATOM 309 N HIS A 21 -6.014 -1.849 0.756 1.00 0.00 N ATOM 310 CA HIS A 21 -7.394 -1.970 1.229 1.00 0.00 C ATOM 311 C HIS A 21 -8.296 -0.983 0.493 1.00 0.00 C ATOM 312 O HIS A 21 -9.384 -1.342 0.047 1.00 0.00 O ATOM 313 CB HIS A 21 -7.442 -1.692 2.750 1.00 0.00 C ATOM 314 CG HIS A 21 -8.809 -1.774 3.374 1.00 0.00 C ATOM 315 ND1 HIS A 21 -9.621 -0.676 3.570 1.00 0.00 N ATOM 316 CD2 HIS A 21 -9.495 -2.827 3.865 1.00 0.00 C ATOM 317 CE1 HIS A 21 -10.728 -1.052 4.147 1.00 0.00 C ATOM 318 NE2 HIS A 21 -10.683 -2.348 4.337 1.00 0.00 N ATOM 0 H HIS A 21 -5.336 -1.700 1.504 1.00 0.00 H new ATOM 0 HA HIS A 21 -7.751 -2.981 1.031 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -6.787 -2.403 3.254 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -7.035 -0.698 2.934 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -9.391 0.282 3.305 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -9.166 -3.856 3.882 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -11.546 -0.403 4.423 1.00 0.00 H new ATOM 327 N GLU A 22 -7.813 0.230 0.330 1.00 0.00 N ATOM 328 CA GLU A 22 -8.582 1.273 -0.310 1.00 0.00 C ATOM 329 C GLU A 22 -8.781 1.002 -1.805 1.00 0.00 C ATOM 330 O GLU A 22 -9.825 1.358 -2.364 1.00 0.00 O ATOM 331 CB GLU A 22 -7.963 2.632 -0.066 1.00 0.00 C ATOM 332 CG GLU A 22 -7.808 2.975 1.405 1.00 0.00 C ATOM 333 CD GLU A 22 -9.100 2.840 2.174 1.00 0.00 C ATOM 334 OE1 GLU A 22 -9.978 3.710 2.039 1.00 0.00 O ATOM 335 OE2 GLU A 22 -9.252 1.859 2.947 1.00 0.00 O ATOM 0 H GLU A 22 -6.883 0.519 0.635 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.573 1.273 0.144 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.984 2.667 -0.544 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.579 3.393 -0.545 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.056 2.323 1.849 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.439 3.996 1.499 1.00 0.00 H new ATOM 342 N LEU A 23 -7.792 0.352 -2.458 1.00 0.00 N ATOM 343 CA LEU A 23 -7.966 -0.080 -3.864 1.00 0.00 C ATOM 344 C LEU A 23 -9.181 -0.954 -3.972 1.00 0.00 C ATOM 345 O LEU A 23 -10.026 -0.762 -4.839 1.00 0.00 O ATOM 346 CB LEU A 23 -6.758 -0.882 -4.435 1.00 0.00 C ATOM 347 CG LEU A 23 -5.541 -0.119 -4.993 1.00 0.00 C ATOM 348 CD1 LEU A 23 -5.930 0.820 -6.118 1.00 0.00 C ATOM 349 CD2 LEU A 23 -4.791 0.606 -3.919 1.00 0.00 C ATOM 0 H LEU A 23 -6.887 0.119 -2.048 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.060 0.837 -4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.398 -1.539 -3.643 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.137 -1.522 -5.232 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.869 -0.869 -5.409 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.043 1.338 -6.483 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.376 0.248 -6.931 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.651 1.550 -5.750 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.942 1.129 -4.358 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.452 1.327 -3.437 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.433 -0.110 -3.179 1.00 0.00 H new ATOM 361 N PHE A 24 -9.296 -1.877 -3.062 1.00 0.00 N ATOM 362 CA PHE A 24 -10.371 -2.834 -3.104 1.00 0.00 C ATOM 363 C PHE A 24 -11.711 -2.257 -2.697 1.00 0.00 C ATOM 364 O PHE A 24 -12.740 -2.645 -3.245 1.00 0.00 O ATOM 365 CB PHE A 24 -9.986 -4.094 -2.361 1.00 0.00 C ATOM 366 CG PHE A 24 -8.826 -4.728 -3.036 1.00 0.00 C ATOM 367 CD1 PHE A 24 -8.966 -5.227 -4.306 1.00 0.00 C ATOM 368 CD2 PHE A 24 -7.594 -4.765 -2.447 1.00 0.00 C ATOM 369 CE1 PHE A 24 -7.905 -5.762 -4.968 1.00 0.00 C ATOM 370 CE2 PHE A 24 -6.513 -5.296 -3.113 1.00 0.00 C ATOM 371 CZ PHE A 24 -6.673 -5.798 -4.376 1.00 0.00 C ATOM 0 H PHE A 24 -8.656 -1.990 -2.276 1.00 0.00 H new ATOM 0 HA PHE A 24 -10.525 -3.115 -4.146 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.735 -3.858 -1.327 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.828 -4.786 -2.334 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -9.932 -5.195 -4.787 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -7.467 -4.374 -1.448 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -8.036 -6.159 -5.964 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.542 -5.316 -2.641 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.830 -6.221 -4.903 1.00 0.00 H new ATOM 381 N GLU A 25 -11.698 -1.303 -1.793 1.00 0.00 N ATOM 382 CA GLU A 25 -12.922 -0.612 -1.402 1.00 0.00 C ATOM 383 C GLU A 25 -13.462 0.240 -2.556 1.00 0.00 C ATOM 384 O GLU A 25 -14.671 0.310 -2.777 1.00 0.00 O ATOM 385 CB GLU A 25 -12.685 0.252 -0.162 1.00 0.00 C ATOM 386 CG GLU A 25 -12.395 -0.549 1.096 1.00 0.00 C ATOM 387 CD GLU A 25 -13.584 -1.363 1.567 1.00 0.00 C ATOM 388 OE1 GLU A 25 -13.902 -2.387 0.964 1.00 0.00 O ATOM 389 OE2 GLU A 25 -14.221 -0.975 2.562 1.00 0.00 O ATOM 0 H GLU A 25 -10.858 -0.983 -1.311 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.670 -1.366 -1.157 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.849 0.925 -0.354 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -13.563 0.875 0.009 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.555 -1.218 0.909 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.090 0.131 1.891 1.00 0.00 H new ATOM 396 N GLU A 26 -12.561 0.861 -3.304 1.00 0.00 N ATOM 397 CA GLU A 26 -12.957 1.698 -4.426 1.00 0.00 C ATOM 398 C GLU A 26 -13.348 0.842 -5.641 1.00 0.00 C ATOM 399 O GLU A 26 -14.368 1.075 -6.282 1.00 0.00 O ATOM 400 CB GLU A 26 -11.816 2.637 -4.835 1.00 0.00 C ATOM 401 CG GLU A 26 -12.205 3.610 -5.940 1.00 0.00 C ATOM 402 CD GLU A 26 -11.026 4.285 -6.591 1.00 0.00 C ATOM 403 OE1 GLU A 26 -10.450 5.214 -5.989 1.00 0.00 O ATOM 404 OE2 GLU A 26 -10.668 3.893 -7.726 1.00 0.00 O ATOM 0 H GLU A 26 -11.554 0.801 -3.154 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.817 2.285 -4.103 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.488 3.201 -3.962 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.966 2.041 -5.167 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.772 3.075 -6.701 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.866 4.371 -5.526 1.00 0.00 H new ATOM 411 N HIS A 27 -12.531 -0.155 -5.938 1.00 0.00 N ATOM 412 CA HIS A 27 -12.711 -0.956 -7.155 1.00 0.00 C ATOM 413 C HIS A 27 -13.827 -1.984 -7.017 1.00 0.00 C ATOM 414 O HIS A 27 -14.513 -2.268 -7.993 1.00 0.00 O ATOM 415 CB HIS A 27 -11.398 -1.657 -7.593 1.00 0.00 C ATOM 416 CG HIS A 27 -10.263 -0.734 -8.011 1.00 0.00 C ATOM 417 ND1 HIS A 27 -9.998 0.563 -7.700 1.00 0.00 N flip ATOM 418 CD2 HIS A 27 -9.196 -1.151 -8.776 1.00 0.00 C flip ATOM 419 CE1 HIS A 27 -8.799 0.881 -8.264 1.00 0.00 C flip ATOM 420 NE2 HIS A 27 -8.337 -0.170 -8.905 1.00 0.00 N flip ATOM 0 H HIS A 27 -11.738 -0.434 -5.361 1.00 0.00 H new ATOM 0 HA HIS A 27 -12.999 -0.248 -7.932 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -11.049 -2.281 -6.770 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -11.624 -2.324 -8.425 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -9.084 -2.136 -9.204 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.308 1.840 -8.196 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -7.456 -0.214 -9.418 1.00 0.00 H new ATOM 429 N LYS A 28 -13.990 -2.554 -5.798 1.00 0.00 N ATOM 430 CA LYS A 28 -15.015 -3.601 -5.494 1.00 0.00 C ATOM 431 C LYS A 28 -14.724 -4.899 -6.273 1.00 0.00 C ATOM 432 O LYS A 28 -15.557 -5.804 -6.344 1.00 0.00 O ATOM 433 CB LYS A 28 -16.445 -3.101 -5.821 1.00 0.00 C ATOM 434 CG LYS A 28 -16.868 -1.823 -5.092 1.00 0.00 C ATOM 435 CD LYS A 28 -17.039 -2.009 -3.583 1.00 0.00 C ATOM 436 CE LYS A 28 -18.180 -2.967 -3.250 1.00 0.00 C ATOM 437 NZ LYS A 28 -18.504 -2.957 -1.806 1.00 0.00 N ATOM 0 H LYS A 28 -13.417 -2.305 -4.992 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.958 -3.810 -4.426 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.516 -2.929 -6.895 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -17.154 -3.892 -5.577 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -16.123 -1.048 -5.272 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -17.807 -1.467 -5.515 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.110 -2.389 -3.157 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -17.230 -1.042 -3.118 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -19.065 -2.691 -3.823 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -17.906 -3.977 -3.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -19.283 -3.620 -1.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.667 -3.245 -1.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.790 -1.999 -1.521 1.00 0.00 H new ATOM 451 N LYS A 29 -13.521 -4.986 -6.797 1.00 0.00 N ATOM 452 CA LYS A 29 -13.090 -6.078 -7.641 1.00 0.00 C ATOM 453 C LYS A 29 -11.707 -6.514 -7.192 1.00 0.00 C ATOM 454 O LYS A 29 -10.935 -5.671 -6.728 1.00 0.00 O ATOM 455 CB LYS A 29 -13.005 -5.595 -9.099 1.00 0.00 C ATOM 456 CG LYS A 29 -14.332 -5.160 -9.716 1.00 0.00 C ATOM 457 CD LYS A 29 -14.133 -4.487 -11.073 1.00 0.00 C ATOM 458 CE LYS A 29 -13.427 -3.140 -10.924 1.00 0.00 C ATOM 459 NZ LYS A 29 -13.198 -2.466 -12.213 1.00 0.00 N ATOM 0 H LYS A 29 -12.798 -4.282 -6.644 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.797 -6.905 -7.569 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -12.308 -4.759 -9.148 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.585 -6.396 -9.707 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -14.981 -6.028 -9.832 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -14.839 -4.472 -9.040 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.547 -5.138 -11.722 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -15.100 -4.342 -11.555 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.024 -2.492 -10.282 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.470 -3.291 -10.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.717 -1.559 -12.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.605 -3.068 -12.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.110 -2.294 -12.682 1.00 0.00 H new ATOM 473 N PRO A 30 -11.376 -7.816 -7.290 1.00 0.00 N ATOM 474 CA PRO A 30 -10.050 -8.323 -6.924 1.00 0.00 C ATOM 475 C PRO A 30 -8.992 -7.949 -7.978 1.00 0.00 C ATOM 476 O PRO A 30 -9.286 -7.901 -9.186 1.00 0.00 O ATOM 477 CB PRO A 30 -10.242 -9.854 -6.876 1.00 0.00 C ATOM 478 CG PRO A 30 -11.710 -10.080 -7.007 1.00 0.00 C ATOM 479 CD PRO A 30 -12.248 -8.901 -7.751 1.00 0.00 C ATOM 0 HA PRO A 30 -9.694 -7.903 -5.983 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -9.697 -10.343 -7.684 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.864 -10.267 -5.941 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -11.915 -11.006 -7.544 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.179 -10.169 -6.027 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.189 -9.040 -8.831 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -13.294 -8.712 -7.511 1.00 0.00 H new ATOM 487 N VAL A 31 -7.777 -7.696 -7.527 1.00 0.00 N ATOM 488 CA VAL A 31 -6.679 -7.273 -8.395 1.00 0.00 C ATOM 489 C VAL A 31 -5.414 -8.067 -8.016 1.00 0.00 C ATOM 490 O VAL A 31 -5.154 -8.268 -6.829 1.00 0.00 O ATOM 491 CB VAL A 31 -6.382 -5.731 -8.231 1.00 0.00 C ATOM 492 CG1 VAL A 31 -5.261 -5.270 -9.153 1.00 0.00 C ATOM 493 CG2 VAL A 31 -7.630 -4.889 -8.477 1.00 0.00 C ATOM 0 H VAL A 31 -7.517 -7.777 -6.544 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.962 -7.462 -9.430 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.062 -5.586 -7.199 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.087 -4.203 -9.010 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.349 -5.820 -8.921 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.543 -5.456 -10.189 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.387 -3.834 -8.355 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.993 -5.063 -9.490 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -8.404 -5.168 -7.762 1.00 0.00 H new ATOM 503 N PRO A 32 -4.651 -8.592 -9.007 1.00 0.00 N ATOM 504 CA PRO A 32 -3.379 -9.285 -8.745 1.00 0.00 C ATOM 505 C PRO A 32 -2.384 -8.372 -8.022 1.00 0.00 C ATOM 506 O PRO A 32 -2.324 -7.157 -8.298 1.00 0.00 O ATOM 507 CB PRO A 32 -2.868 -9.640 -10.144 1.00 0.00 C ATOM 508 CG PRO A 32 -4.079 -9.639 -11.002 1.00 0.00 C ATOM 509 CD PRO A 32 -4.969 -8.574 -10.444 1.00 0.00 C ATOM 0 HA PRO A 32 -3.503 -10.155 -8.100 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.135 -8.913 -10.494 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.379 -10.614 -10.151 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.823 -9.431 -12.041 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.572 -10.611 -10.984 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.762 -7.601 -10.890 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.021 -8.792 -10.627 1.00 0.00 H new ATOM 517 N PHE A 33 -1.608 -8.966 -7.131 1.00 0.00 N ATOM 518 CA PHE A 33 -0.670 -8.263 -6.251 1.00 0.00 C ATOM 519 C PHE A 33 0.250 -7.286 -7.006 1.00 0.00 C ATOM 520 O PHE A 33 0.399 -6.129 -6.619 1.00 0.00 O ATOM 521 CB PHE A 33 0.172 -9.288 -5.481 1.00 0.00 C ATOM 522 CG PHE A 33 1.067 -8.695 -4.436 1.00 0.00 C ATOM 523 CD1 PHE A 33 0.599 -8.465 -3.154 1.00 0.00 C ATOM 524 CD2 PHE A 33 2.372 -8.368 -4.733 1.00 0.00 C ATOM 525 CE1 PHE A 33 1.417 -7.922 -2.191 1.00 0.00 C ATOM 526 CE2 PHE A 33 3.190 -7.825 -3.783 1.00 0.00 C ATOM 527 CZ PHE A 33 2.718 -7.599 -2.506 1.00 0.00 C ATOM 0 H PHE A 33 -1.608 -9.976 -6.991 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.263 -7.662 -5.562 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.497 -10.005 -5.005 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.783 -9.845 -6.191 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.422 -8.715 -2.907 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.753 -8.543 -5.728 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.041 -7.750 -1.193 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.210 -7.572 -4.032 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.367 -7.170 -1.756 1.00 0.00 H new ATOM 537 N GLN A 34 0.823 -7.735 -8.088 1.00 0.00 N ATOM 538 CA GLN A 34 1.778 -6.927 -8.828 1.00 0.00 C ATOM 539 C GLN A 34 1.101 -5.776 -9.540 1.00 0.00 C ATOM 540 O GLN A 34 1.653 -4.673 -9.620 1.00 0.00 O ATOM 541 CB GLN A 34 2.579 -7.782 -9.806 1.00 0.00 C ATOM 542 CG GLN A 34 3.581 -8.730 -9.147 1.00 0.00 C ATOM 543 CD GLN A 34 4.900 -8.062 -8.725 1.00 0.00 C ATOM 544 OE1 GLN A 34 4.893 -6.779 -8.437 1.00 0.00 O flip ATOM 545 NE2 GLN A 34 5.937 -8.709 -8.695 1.00 0.00 N flip ATOM 0 H GLN A 34 0.651 -8.658 -8.486 1.00 0.00 H new ATOM 0 HA GLN A 34 2.474 -6.500 -8.105 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.885 -8.369 -10.408 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.116 -7.124 -10.489 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.116 -9.177 -8.268 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.804 -9.543 -9.839 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.924 -9.704 -8.921 1.00 0.00 H new ATOM 0 HE22 GLN A 34 6.815 -8.254 -8.444 1.00 0.00 H new ATOM 554 N GLU A 35 -0.105 -6.016 -9.988 1.00 0.00 N ATOM 555 CA GLU A 35 -0.858 -5.028 -10.716 1.00 0.00 C ATOM 556 C GLU A 35 -1.290 -3.911 -9.771 1.00 0.00 C ATOM 557 O GLU A 35 -1.219 -2.724 -10.117 1.00 0.00 O ATOM 558 CB GLU A 35 -2.078 -5.666 -11.374 1.00 0.00 C ATOM 559 CG GLU A 35 -1.760 -6.853 -12.277 1.00 0.00 C ATOM 560 CD GLU A 35 -0.876 -6.511 -13.451 1.00 0.00 C ATOM 561 OE1 GLU A 35 -1.341 -5.820 -14.390 1.00 0.00 O ATOM 562 OE2 GLU A 35 0.275 -6.968 -13.496 1.00 0.00 O ATOM 0 H GLU A 35 -0.592 -6.903 -9.858 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.226 -4.608 -11.499 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.766 -5.993 -10.595 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.597 -4.908 -11.961 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.275 -7.628 -11.684 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.694 -7.274 -12.649 1.00 0.00 H new ATOM 569 N LEU A 36 -1.696 -4.290 -8.563 1.00 0.00 N ATOM 570 CA LEU A 36 -2.129 -3.316 -7.580 1.00 0.00 C ATOM 571 C LEU A 36 -0.949 -2.463 -7.091 1.00 0.00 C ATOM 572 O LEU A 36 -1.109 -1.275 -6.835 1.00 0.00 O ATOM 573 CB LEU A 36 -2.959 -3.970 -6.429 1.00 0.00 C ATOM 574 CG LEU A 36 -2.249 -4.916 -5.444 1.00 0.00 C ATOM 575 CD1 LEU A 36 -1.607 -4.145 -4.306 1.00 0.00 C ATOM 576 CD2 LEU A 36 -3.207 -5.953 -4.900 1.00 0.00 C ATOM 0 H LEU A 36 -1.732 -5.259 -8.247 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.819 -2.627 -8.066 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.407 -3.164 -5.847 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.777 -4.525 -6.887 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.461 -5.429 -5.995 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.114 -4.841 -3.628 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.872 -3.448 -4.708 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.373 -3.591 -3.764 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.679 -6.608 -4.207 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.024 -5.455 -4.378 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.609 -6.544 -5.723 1.00 0.00 H new ATOM 588 N LEU A 37 0.258 -3.063 -7.015 1.00 0.00 N ATOM 589 CA LEU A 37 1.454 -2.314 -6.629 1.00 0.00 C ATOM 590 C LEU A 37 1.770 -1.252 -7.651 1.00 0.00 C ATOM 591 O LEU A 37 2.212 -0.168 -7.307 1.00 0.00 O ATOM 592 CB LEU A 37 2.678 -3.221 -6.416 1.00 0.00 C ATOM 593 CG LEU A 37 3.005 -3.637 -4.970 1.00 0.00 C ATOM 594 CD1 LEU A 37 3.296 -2.419 -4.105 1.00 0.00 C ATOM 595 CD2 LEU A 37 1.901 -4.460 -4.359 1.00 0.00 C ATOM 0 H LEU A 37 0.421 -4.050 -7.214 1.00 0.00 H new ATOM 0 HA LEU A 37 1.230 -1.841 -5.673 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.532 -4.128 -7.003 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.550 -2.712 -6.826 1.00 0.00 H new ATOM 0 HG LEU A 37 3.899 -4.259 -5.011 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.524 -2.741 -3.089 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.149 -1.878 -4.514 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.424 -1.765 -4.092 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.172 -4.732 -3.339 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.979 -3.879 -4.347 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.752 -5.365 -4.949 1.00 0.00 H new ATOM 607 N ASN A 38 1.517 -1.560 -8.907 1.00 0.00 N ATOM 608 CA ASN A 38 1.731 -0.600 -9.982 1.00 0.00 C ATOM 609 C ASN A 38 0.761 0.561 -9.884 1.00 0.00 C ATOM 610 O ASN A 38 1.117 1.709 -10.188 1.00 0.00 O ATOM 611 CB ASN A 38 1.685 -1.272 -11.356 1.00 0.00 C ATOM 612 CG ASN A 38 2.959 -2.043 -11.657 1.00 0.00 C ATOM 613 OD1 ASN A 38 4.052 -1.640 -11.251 1.00 0.00 O ATOM 614 ND2 ASN A 38 2.838 -3.156 -12.318 1.00 0.00 N ATOM 0 H ASN A 38 1.163 -2.466 -9.213 1.00 0.00 H new ATOM 0 HA ASN A 38 2.735 -0.192 -9.865 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.833 -1.950 -11.399 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.530 -0.515 -12.125 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.662 -3.724 -12.515 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.919 -3.461 -12.640 1.00 0.00 H new ATOM 621 N GLU A 39 -0.454 0.283 -9.429 1.00 0.00 N ATOM 622 CA GLU A 39 -1.418 1.342 -9.200 1.00 0.00 C ATOM 623 C GLU A 39 -0.972 2.188 -8.022 1.00 0.00 C ATOM 624 O GLU A 39 -0.889 3.411 -8.125 1.00 0.00 O ATOM 625 CB GLU A 39 -2.838 0.803 -8.972 1.00 0.00 C ATOM 626 CG GLU A 39 -3.388 0.030 -10.151 1.00 0.00 C ATOM 627 CD GLU A 39 -4.869 -0.234 -10.051 1.00 0.00 C ATOM 628 OE1 GLU A 39 -5.660 0.660 -10.457 1.00 0.00 O ATOM 629 OE2 GLU A 39 -5.271 -1.311 -9.607 1.00 0.00 O ATOM 0 H GLU A 39 -0.789 -0.656 -9.215 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.458 1.956 -10.100 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.836 0.157 -8.094 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.504 1.638 -8.753 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.186 0.585 -11.067 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.861 -0.921 -10.231 1.00 0.00 H new ATOM 636 N ILE A 40 -0.620 1.519 -6.932 1.00 0.00 N ATOM 637 CA ILE A 40 -0.163 2.175 -5.709 1.00 0.00 C ATOM 638 C ILE A 40 1.052 3.065 -5.961 1.00 0.00 C ATOM 639 O ILE A 40 1.044 4.219 -5.590 1.00 0.00 O ATOM 640 CB ILE A 40 0.142 1.144 -4.584 1.00 0.00 C ATOM 641 CG1 ILE A 40 -1.152 0.428 -4.181 1.00 0.00 C ATOM 642 CG2 ILE A 40 0.804 1.812 -3.370 1.00 0.00 C ATOM 643 CD1 ILE A 40 -0.979 -0.639 -3.133 1.00 0.00 C ATOM 0 H ILE A 40 -0.643 0.501 -6.869 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.981 2.812 -5.373 1.00 0.00 H new ATOM 0 HB ILE A 40 0.851 0.411 -4.969 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.862 1.169 -3.813 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.594 -0.023 -5.070 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.002 1.061 -2.605 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.742 2.275 -3.676 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.138 2.575 -2.966 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.946 -1.091 -2.911 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.297 -1.405 -3.503 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.569 -0.195 -2.226 1.00 0.00 H new ATOM 655 N ALA A 41 2.054 2.531 -6.631 1.00 0.00 N ATOM 656 CA ALA A 41 3.282 3.268 -6.926 1.00 0.00 C ATOM 657 C ALA A 41 3.039 4.452 -7.851 1.00 0.00 C ATOM 658 O ALA A 41 3.799 5.400 -7.860 1.00 0.00 O ATOM 659 CB ALA A 41 4.353 2.355 -7.489 1.00 0.00 C ATOM 0 H ALA A 41 2.047 1.576 -6.989 1.00 0.00 H new ATOM 0 HA ALA A 41 3.639 3.669 -5.977 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.252 2.934 -7.697 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.584 1.575 -6.764 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.994 1.898 -8.411 1.00 0.00 H new ATOM 665 N SER A 42 2.053 4.348 -8.700 1.00 0.00 N ATOM 666 CA SER A 42 1.697 5.455 -9.550 1.00 0.00 C ATOM 667 C SER A 42 0.975 6.558 -8.736 1.00 0.00 C ATOM 668 O SER A 42 1.251 7.758 -8.905 1.00 0.00 O ATOM 669 CB SER A 42 0.860 4.961 -10.735 1.00 0.00 C ATOM 670 OG SER A 42 0.566 5.987 -11.673 1.00 0.00 O ATOM 0 H SER A 42 1.482 3.511 -8.823 1.00 0.00 H new ATOM 0 HA SER A 42 2.604 5.904 -9.956 1.00 0.00 H new ATOM 0 HB2 SER A 42 1.395 4.157 -11.240 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.073 4.538 -10.363 1.00 0.00 H new ATOM 0 HG SER A 42 0.033 5.616 -12.407 1.00 0.00 H new ATOM 676 N LEU A 43 0.062 6.146 -7.864 1.00 0.00 N ATOM 677 CA LEU A 43 -0.691 7.079 -7.030 1.00 0.00 C ATOM 678 C LEU A 43 0.242 7.744 -6.037 1.00 0.00 C ATOM 679 O LEU A 43 0.296 8.976 -5.928 1.00 0.00 O ATOM 680 CB LEU A 43 -1.807 6.343 -6.280 1.00 0.00 C ATOM 681 CG LEU A 43 -2.838 5.622 -7.142 1.00 0.00 C ATOM 682 CD1 LEU A 43 -3.863 4.913 -6.272 1.00 0.00 C ATOM 683 CD2 LEU A 43 -3.510 6.594 -8.097 1.00 0.00 C ATOM 0 H LEU A 43 -0.177 5.166 -7.715 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.141 7.838 -7.670 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.348 5.613 -5.613 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.330 7.064 -5.652 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.323 4.867 -7.737 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.589 4.405 -6.906 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.360 4.182 -5.639 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.376 5.643 -5.646 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.242 6.061 -8.703 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.011 7.376 -7.527 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.759 7.043 -8.747 1.00 0.00 H new ATOM 695 N LEU A 44 0.967 6.919 -5.335 1.00 0.00 N ATOM 696 CA LEU A 44 1.953 7.330 -4.382 1.00 0.00 C ATOM 697 C LEU A 44 3.156 7.787 -5.155 1.00 0.00 C ATOM 698 O LEU A 44 3.835 6.978 -5.723 1.00 0.00 O ATOM 699 CB LEU A 44 2.302 6.119 -3.493 1.00 0.00 C ATOM 700 CG LEU A 44 3.463 6.251 -2.512 1.00 0.00 C ATOM 701 CD1 LEU A 44 3.173 7.265 -1.420 1.00 0.00 C ATOM 702 CD2 LEU A 44 3.807 4.886 -1.933 1.00 0.00 C ATOM 0 H LEU A 44 0.883 5.906 -5.416 1.00 0.00 H new ATOM 0 HA LEU A 44 1.596 8.139 -3.745 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.411 5.859 -2.921 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.516 5.276 -4.150 1.00 0.00 H new ATOM 0 HG LEU A 44 4.329 6.627 -3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.026 7.326 -0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.995 8.242 -1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.290 6.956 -0.861 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.637 4.986 -1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.939 4.483 -1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.092 4.210 -2.739 1.00 0.00 H new ATOM 714 N GLY A 45 3.343 9.084 -5.240 1.00 0.00 N ATOM 715 CA GLY A 45 4.478 9.671 -5.996 1.00 0.00 C ATOM 716 C GLY A 45 5.876 9.224 -5.531 1.00 0.00 C ATOM 717 O GLY A 45 6.590 9.983 -4.890 1.00 0.00 O ATOM 0 H GLY A 45 2.733 9.773 -4.801 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.364 9.414 -7.049 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.419 10.757 -5.924 1.00 0.00 H new ATOM 721 N VAL A 46 6.251 8.002 -5.867 1.00 0.00 N ATOM 722 CA VAL A 46 7.539 7.409 -5.510 1.00 0.00 C ATOM 723 C VAL A 46 8.086 6.603 -6.695 1.00 0.00 C ATOM 724 O VAL A 46 7.481 6.589 -7.788 1.00 0.00 O ATOM 725 CB VAL A 46 7.395 6.435 -4.289 1.00 0.00 C ATOM 726 CG1 VAL A 46 6.940 7.170 -3.038 1.00 0.00 C ATOM 727 CG2 VAL A 46 6.436 5.282 -4.616 1.00 0.00 C ATOM 0 H VAL A 46 5.657 7.375 -6.409 1.00 0.00 H new ATOM 0 HA VAL A 46 8.216 8.223 -5.248 1.00 0.00 H new ATOM 0 HB VAL A 46 8.381 6.016 -4.089 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.851 6.463 -2.213 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.670 7.938 -2.781 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.972 7.637 -3.222 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.354 4.621 -3.753 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.453 5.685 -4.860 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.819 4.720 -5.468 1.00 0.00 H new ATOM 737 N LYS A 47 9.226 5.960 -6.498 1.00 0.00 N ATOM 738 CA LYS A 47 9.766 5.047 -7.483 1.00 0.00 C ATOM 739 C LYS A 47 9.209 3.657 -7.228 1.00 0.00 C ATOM 740 O LYS A 47 8.840 3.323 -6.099 1.00 0.00 O ATOM 741 CB LYS A 47 11.294 4.976 -7.422 1.00 0.00 C ATOM 742 CG LYS A 47 12.017 6.275 -7.708 1.00 0.00 C ATOM 743 CD LYS A 47 13.532 6.084 -7.668 1.00 0.00 C ATOM 744 CE LYS A 47 14.044 5.205 -8.810 1.00 0.00 C ATOM 745 NZ LYS A 47 13.751 5.780 -10.137 1.00 0.00 N ATOM 0 H LYS A 47 9.796 6.057 -5.658 1.00 0.00 H new ATOM 0 HA LYS A 47 9.479 5.414 -8.469 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.585 4.629 -6.431 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.635 4.226 -8.136 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.721 6.651 -8.687 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.723 7.027 -6.976 1.00 0.00 H new ATOM 0 HD2 LYS A 47 14.019 7.058 -7.718 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.813 5.636 -6.715 1.00 0.00 H new ATOM 0 HE2 LYS A 47 15.120 5.069 -8.706 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.589 4.217 -8.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.299 5.275 -10.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.736 5.684 -10.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.012 6.787 -10.144 1.00 0.00 H new ATOM 759 N LYS A 48 9.183 2.852 -8.252 1.00 0.00 N ATOM 760 CA LYS A 48 8.684 1.493 -8.162 1.00 0.00 C ATOM 761 C LYS A 48 9.588 0.647 -7.267 1.00 0.00 C ATOM 762 O LYS A 48 9.122 -0.058 -6.396 1.00 0.00 O ATOM 763 CB LYS A 48 8.639 0.873 -9.557 1.00 0.00 C ATOM 764 CG LYS A 48 8.261 -0.600 -9.588 1.00 0.00 C ATOM 765 CD LYS A 48 6.772 -0.852 -9.259 1.00 0.00 C ATOM 766 CE LYS A 48 6.413 -2.331 -9.384 1.00 0.00 C ATOM 767 NZ LYS A 48 6.769 -2.872 -10.711 1.00 0.00 N ATOM 0 H LYS A 48 9.508 3.114 -9.183 1.00 0.00 H new ATOM 0 HA LYS A 48 7.683 1.518 -7.732 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.925 1.430 -10.164 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.616 0.993 -10.024 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.482 -1.005 -10.576 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.881 -1.143 -8.875 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.559 -0.509 -8.246 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.146 -0.266 -9.932 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.931 -2.897 -8.610 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.344 -2.461 -9.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.265 -3.768 -10.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.498 -2.190 -11.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.795 -3.039 -10.754 1.00 0.00 H new ATOM 781 N GLU A 49 10.872 0.759 -7.495 1.00 0.00 N ATOM 782 CA GLU A 49 11.879 -0.042 -6.817 1.00 0.00 C ATOM 783 C GLU A 49 12.072 0.297 -5.337 1.00 0.00 C ATOM 784 O GLU A 49 12.369 -0.596 -4.533 1.00 0.00 O ATOM 785 CB GLU A 49 13.215 -0.102 -7.592 1.00 0.00 C ATOM 786 CG GLU A 49 13.732 1.220 -8.158 1.00 0.00 C ATOM 787 CD GLU A 49 12.966 1.697 -9.376 1.00 0.00 C ATOM 788 OE1 GLU A 49 13.323 1.316 -10.510 1.00 0.00 O ATOM 789 OE2 GLU A 49 12.007 2.458 -9.215 1.00 0.00 O ATOM 0 H GLU A 49 11.262 1.419 -8.168 1.00 0.00 H new ATOM 0 HA GLU A 49 11.469 -1.052 -6.816 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.977 -0.511 -6.928 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.100 -0.805 -8.417 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.678 1.984 -7.382 1.00 0.00 H new ATOM 0 HG3 GLU A 49 14.784 1.107 -8.421 1.00 0.00 H new ATOM 796 N GLU A 50 11.857 1.549 -4.948 1.00 0.00 N ATOM 797 CA GLU A 50 11.960 1.899 -3.527 1.00 0.00 C ATOM 798 C GLU A 50 10.777 1.259 -2.793 1.00 0.00 C ATOM 799 O GLU A 50 10.888 0.698 -1.672 1.00 0.00 O ATOM 800 CB GLU A 50 11.994 3.425 -3.318 1.00 0.00 C ATOM 801 CG GLU A 50 10.736 4.160 -3.732 1.00 0.00 C ATOM 802 CD GLU A 50 10.866 5.648 -3.568 1.00 0.00 C ATOM 803 OE1 GLU A 50 10.602 6.171 -2.481 1.00 0.00 O ATOM 804 OE2 GLU A 50 11.252 6.320 -4.525 1.00 0.00 O ATOM 0 H GLU A 50 11.617 2.321 -5.571 1.00 0.00 H new ATOM 0 HA GLU A 50 12.897 1.517 -3.123 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.184 3.627 -2.264 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.835 3.834 -3.877 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.509 3.930 -4.773 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.896 3.803 -3.136 1.00 0.00 H new ATOM 811 N LEU A 51 9.663 1.248 -3.485 1.00 0.00 N ATOM 812 CA LEU A 51 8.494 0.637 -2.991 1.00 0.00 C ATOM 813 C LEU A 51 8.596 -0.866 -3.253 1.00 0.00 C ATOM 814 O LEU A 51 7.748 -1.586 -2.881 1.00 0.00 O ATOM 815 CB LEU A 51 7.250 1.228 -3.665 1.00 0.00 C ATOM 816 CG LEU A 51 5.885 0.801 -3.090 1.00 0.00 C ATOM 817 CD1 LEU A 51 5.714 1.286 -1.657 1.00 0.00 C ATOM 818 CD2 LEU A 51 4.754 1.303 -3.960 1.00 0.00 C ATOM 0 H LEU A 51 9.561 1.669 -4.408 1.00 0.00 H new ATOM 0 HA LEU A 51 8.399 0.819 -1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.317 2.315 -3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.274 0.959 -4.721 1.00 0.00 H new ATOM 0 HG LEU A 51 5.855 -0.289 -3.082 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.742 0.969 -1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.501 0.863 -1.033 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.776 2.374 -1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.801 0.989 -3.534 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.789 2.391 -4.010 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.856 0.890 -4.964 1.00 0.00 H new ATOM 830 N GLY A 52 9.699 -1.284 -3.897 1.00 0.00 N ATOM 831 CA GLY A 52 9.990 -2.677 -4.216 1.00 0.00 C ATOM 832 C GLY A 52 10.534 -3.398 -3.016 1.00 0.00 C ATOM 833 O GLY A 52 10.097 -4.525 -2.689 1.00 0.00 O ATOM 0 H GLY A 52 10.425 -0.641 -4.214 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.083 -3.172 -4.563 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.711 -2.725 -5.032 1.00 0.00 H new ATOM 837 N ASP A 53 11.475 -2.768 -2.317 1.00 0.00 N ATOM 838 CA ASP A 53 11.891 -3.326 -1.029 1.00 0.00 C ATOM 839 C ASP A 53 10.720 -3.216 -0.072 1.00 0.00 C ATOM 840 O ASP A 53 10.460 -4.122 0.763 1.00 0.00 O ATOM 841 CB ASP A 53 13.201 -2.725 -0.447 1.00 0.00 C ATOM 842 CG ASP A 53 13.205 -1.229 -0.246 1.00 0.00 C ATOM 843 OD1 ASP A 53 12.549 -0.728 0.675 1.00 0.00 O ATOM 844 OD2 ASP A 53 13.902 -0.529 -1.006 1.00 0.00 O ATOM 0 H ASP A 53 11.947 -1.910 -2.601 1.00 0.00 H new ATOM 0 HA ASP A 53 12.157 -4.371 -1.186 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.402 -3.202 0.512 1.00 0.00 H new ATOM 0 HB3 ASP A 53 14.025 -2.985 -1.112 1.00 0.00 H new ATOM 849 N ARG A 54 9.937 -2.144 -0.242 1.00 0.00 N ATOM 850 CA ARG A 54 8.679 -2.065 0.465 1.00 0.00 C ATOM 851 C ARG A 54 7.658 -3.095 -0.020 1.00 0.00 C ATOM 852 O ARG A 54 6.710 -3.301 0.640 1.00 0.00 O ATOM 853 CB ARG A 54 8.061 -0.661 0.554 1.00 0.00 C ATOM 854 CG ARG A 54 8.455 0.113 1.803 1.00 0.00 C ATOM 855 CD ARG A 54 9.918 0.450 1.817 1.00 0.00 C ATOM 856 NE ARG A 54 10.353 0.953 3.126 1.00 0.00 N ATOM 857 CZ ARG A 54 11.507 1.579 3.358 1.00 0.00 C ATOM 858 NH1 ARG A 54 12.418 1.665 2.401 1.00 0.00 N ATOM 859 NH2 ARG A 54 11.782 2.039 4.574 1.00 0.00 N ATOM 0 H ARG A 54 10.152 -1.350 -0.845 1.00 0.00 H new ATOM 0 HA ARG A 54 8.952 -2.319 1.489 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.359 -0.088 -0.324 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.975 -0.751 0.523 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.871 1.031 1.860 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.210 -0.476 2.687 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.497 -0.437 1.558 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.125 1.200 1.053 1.00 0.00 H new ATOM 0 HE ARG A 54 9.725 0.813 3.917 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.237 1.252 1.486 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.301 2.144 2.579 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.110 1.913 5.331 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.665 2.518 4.750 1.00 0.00 H new ATOM 873 N ILE A 55 7.862 -3.715 -1.197 1.00 0.00 N ATOM 874 CA ILE A 55 6.975 -4.783 -1.692 1.00 0.00 C ATOM 875 C ILE A 55 7.196 -6.036 -0.873 1.00 0.00 C ATOM 876 O ILE A 55 6.250 -6.731 -0.526 1.00 0.00 O ATOM 877 CB ILE A 55 7.133 -5.102 -3.238 1.00 0.00 C ATOM 878 CG1 ILE A 55 6.606 -3.953 -4.096 1.00 0.00 C ATOM 879 CG2 ILE A 55 6.406 -6.382 -3.611 1.00 0.00 C ATOM 880 CD1 ILE A 55 6.753 -4.161 -5.595 1.00 0.00 C ATOM 0 H ILE A 55 8.635 -3.494 -1.824 1.00 0.00 H new ATOM 0 HA ILE A 55 5.955 -4.417 -1.575 1.00 0.00 H new ATOM 0 HB ILE A 55 8.198 -5.229 -3.431 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.552 -3.799 -3.866 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.130 -3.039 -3.817 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.532 -6.575 -4.676 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.818 -7.214 -3.040 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.345 -6.277 -3.384 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.352 -3.296 -6.123 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.807 -4.282 -5.844 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.205 -5.054 -5.894 1.00 0.00 H new ATOM 892 N ALA A 56 8.444 -6.302 -0.535 1.00 0.00 N ATOM 893 CA ALA A 56 8.758 -7.428 0.344 1.00 0.00 C ATOM 894 C ALA A 56 8.050 -7.224 1.688 1.00 0.00 C ATOM 895 O ALA A 56 7.319 -8.123 2.207 1.00 0.00 O ATOM 896 CB ALA A 56 10.262 -7.529 0.545 1.00 0.00 C ATOM 0 H ALA A 56 9.253 -5.765 -0.848 1.00 0.00 H new ATOM 0 HA ALA A 56 8.411 -8.357 -0.109 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.486 -8.370 1.201 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.748 -7.681 -0.419 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.631 -6.608 0.997 1.00 0.00 H new ATOM 902 N GLN A 57 8.205 -6.007 2.206 1.00 0.00 N ATOM 903 CA GLN A 57 7.586 -5.603 3.465 1.00 0.00 C ATOM 904 C GLN A 57 6.060 -5.670 3.294 1.00 0.00 C ATOM 905 O GLN A 57 5.357 -6.124 4.165 1.00 0.00 O ATOM 906 CB GLN A 57 8.055 -4.169 3.794 1.00 0.00 C ATOM 907 CG GLN A 57 8.036 -3.738 5.274 1.00 0.00 C ATOM 908 CD GLN A 57 6.665 -3.581 5.917 1.00 0.00 C ATOM 909 OE1 GLN A 57 6.068 -2.510 5.858 1.00 0.00 O ATOM 910 NE2 GLN A 57 6.199 -4.594 6.593 1.00 0.00 N ATOM 0 H GLN A 57 8.762 -5.275 1.765 1.00 0.00 H new ATOM 0 HA GLN A 57 7.872 -6.260 4.286 1.00 0.00 H new ATOM 0 HB2 GLN A 57 9.073 -4.054 3.423 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.431 -3.474 3.233 1.00 0.00 H new ATOM 0 HG2 GLN A 57 8.601 -4.470 5.850 1.00 0.00 H new ATOM 0 HG3 GLN A 57 8.564 -2.788 5.360 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.720 -5.471 6.622 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.314 -4.510 7.093 1.00 0.00 H new ATOM 919 N PHE A 58 5.606 -5.271 2.117 1.00 0.00 N ATOM 920 CA PHE A 58 4.201 -5.230 1.718 1.00 0.00 C ATOM 921 C PHE A 58 3.613 -6.618 1.793 1.00 0.00 C ATOM 922 O PHE A 58 2.512 -6.768 2.231 1.00 0.00 O ATOM 923 CB PHE A 58 4.102 -4.697 0.278 1.00 0.00 C ATOM 924 CG PHE A 58 2.800 -4.083 -0.144 1.00 0.00 C ATOM 925 CD1 PHE A 58 1.703 -4.855 -0.457 1.00 0.00 C ATOM 926 CD2 PHE A 58 2.702 -2.709 -0.272 1.00 0.00 C ATOM 927 CE1 PHE A 58 0.532 -4.268 -0.884 1.00 0.00 C ATOM 928 CE2 PHE A 58 1.535 -2.120 -0.689 1.00 0.00 C ATOM 929 CZ PHE A 58 0.450 -2.902 -0.996 1.00 0.00 C ATOM 0 H PHE A 58 6.232 -4.952 1.378 1.00 0.00 H new ATOM 0 HA PHE A 58 3.646 -4.573 2.388 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.886 -3.952 0.140 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.322 -5.520 -0.402 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.761 -5.930 -0.367 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.557 -2.091 -0.040 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.321 -4.882 -1.131 1.00 0.00 H new ATOM 0 HE2 PHE A 58 1.471 -1.045 -0.775 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.470 -2.442 -1.326 1.00 0.00 H new ATOM 939 N TYR A 59 4.373 -7.635 1.355 1.00 0.00 N ATOM 940 CA TYR A 59 3.929 -9.025 1.475 1.00 0.00 C ATOM 941 C TYR A 59 3.630 -9.357 2.907 1.00 0.00 C ATOM 942 O TYR A 59 2.535 -9.779 3.223 1.00 0.00 O ATOM 943 CB TYR A 59 4.949 -10.037 0.938 1.00 0.00 C ATOM 944 CG TYR A 59 4.977 -10.205 -0.560 1.00 0.00 C ATOM 945 CD1 TYR A 59 3.989 -10.935 -1.207 1.00 0.00 C ATOM 946 CD2 TYR A 59 5.990 -9.665 -1.321 1.00 0.00 C ATOM 947 CE1 TYR A 59 4.017 -11.110 -2.573 1.00 0.00 C ATOM 948 CE2 TYR A 59 6.028 -9.835 -2.682 1.00 0.00 C ATOM 949 CZ TYR A 59 5.041 -10.557 -3.304 1.00 0.00 C ATOM 950 OH TYR A 59 5.075 -10.722 -4.664 1.00 0.00 O ATOM 0 H TYR A 59 5.288 -7.519 0.920 1.00 0.00 H new ATOM 0 HA TYR A 59 3.030 -9.105 0.864 1.00 0.00 H new ATOM 0 HB2 TYR A 59 5.942 -9.735 1.270 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.743 -11.007 1.390 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.187 -11.372 -0.631 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.770 -9.096 -0.837 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.241 -11.677 -3.065 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.831 -9.403 -3.261 1.00 0.00 H new ATOM 0 HH TYR A 59 4.375 -10.175 -5.078 1.00 0.00 H new ATOM 960 N THR A 60 4.584 -9.124 3.775 1.00 0.00 N ATOM 961 CA THR A 60 4.399 -9.436 5.183 1.00 0.00 C ATOM 962 C THR A 60 3.272 -8.593 5.816 1.00 0.00 C ATOM 963 O THR A 60 2.402 -9.124 6.515 1.00 0.00 O ATOM 964 CB THR A 60 5.715 -9.252 5.933 1.00 0.00 C ATOM 965 OG1 THR A 60 6.719 -10.058 5.286 1.00 0.00 O ATOM 966 CG2 THR A 60 5.587 -9.667 7.392 1.00 0.00 C ATOM 0 H THR A 60 5.492 -8.723 3.540 1.00 0.00 H new ATOM 0 HA THR A 60 4.092 -10.479 5.262 1.00 0.00 H new ATOM 0 HB THR A 60 5.991 -8.198 5.913 1.00 0.00 H new ATOM 0 HG1 THR A 60 7.574 -9.952 5.753 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.542 -9.523 7.896 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.825 -9.058 7.878 1.00 0.00 H new ATOM 0 HG23 THR A 60 5.302 -10.718 7.448 1.00 0.00 H new ATOM 974 N ASP A 61 3.264 -7.316 5.496 1.00 0.00 N ATOM 975 CA ASP A 61 2.283 -6.350 6.004 1.00 0.00 C ATOM 976 C ASP A 61 0.876 -6.749 5.548 1.00 0.00 C ATOM 977 O ASP A 61 -0.105 -6.594 6.274 1.00 0.00 O ATOM 978 CB ASP A 61 2.650 -4.951 5.477 1.00 0.00 C ATOM 979 CG ASP A 61 1.859 -3.823 6.097 1.00 0.00 C ATOM 980 OD1 ASP A 61 2.102 -3.494 7.280 1.00 0.00 O ATOM 981 OD2 ASP A 61 1.029 -3.214 5.422 1.00 0.00 O ATOM 0 H ASP A 61 3.948 -6.901 4.864 1.00 0.00 H new ATOM 0 HA ASP A 61 2.296 -6.339 7.094 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.711 -4.776 5.656 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.501 -4.932 4.397 1.00 0.00 H new ATOM 986 N LEU A 62 0.813 -7.307 4.357 1.00 0.00 N ATOM 987 CA LEU A 62 -0.414 -7.777 3.759 1.00 0.00 C ATOM 988 C LEU A 62 -0.837 -9.093 4.442 1.00 0.00 C ATOM 989 O LEU A 62 -1.966 -9.231 4.910 1.00 0.00 O ATOM 990 CB LEU A 62 -0.168 -8.047 2.257 1.00 0.00 C ATOM 991 CG LEU A 62 -1.309 -7.772 1.278 1.00 0.00 C ATOM 992 CD1 LEU A 62 -2.584 -8.417 1.715 1.00 0.00 C ATOM 993 CD2 LEU A 62 -1.491 -6.288 1.060 1.00 0.00 C ATOM 0 H LEU A 62 1.633 -7.448 3.767 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.197 -7.028 3.881 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.688 -7.448 1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.119 -9.093 2.149 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.034 -8.221 0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.369 -8.197 0.992 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.442 -9.496 1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.872 -8.029 2.692 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.309 -6.121 0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.723 -5.806 2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.573 -5.865 0.653 1.00 0.00 H new ATOM 1005 N ASN A 63 0.101 -10.036 4.514 1.00 0.00 N ATOM 1006 CA ASN A 63 -0.147 -11.396 5.041 1.00 0.00 C ATOM 1007 C ASN A 63 -0.547 -11.403 6.516 1.00 0.00 C ATOM 1008 O ASN A 63 -1.095 -12.397 7.010 1.00 0.00 O ATOM 1009 CB ASN A 63 1.068 -12.344 4.835 1.00 0.00 C ATOM 1010 CG ASN A 63 1.403 -12.666 3.378 1.00 0.00 C ATOM 1011 OD1 ASN A 63 0.531 -12.698 2.510 1.00 0.00 O ATOM 1012 ND2 ASN A 63 2.665 -12.927 3.109 1.00 0.00 N ATOM 0 H ASN A 63 1.063 -9.887 4.209 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.989 -11.769 4.458 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.944 -11.893 5.301 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.873 -13.278 5.361 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.945 -13.165 2.157 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.363 -12.892 3.852 1.00 0.00 H new ATOM 1019 N ILE A 64 -0.261 -10.334 7.232 1.00 0.00 N ATOM 1020 CA ILE A 64 -0.642 -10.268 8.637 1.00 0.00 C ATOM 1021 C ILE A 64 -2.029 -9.653 8.834 1.00 0.00 C ATOM 1022 O ILE A 64 -2.636 -9.811 9.899 1.00 0.00 O ATOM 1023 CB ILE A 64 0.399 -9.541 9.523 1.00 0.00 C ATOM 1024 CG1 ILE A 64 0.608 -8.095 9.055 1.00 0.00 C ATOM 1025 CG2 ILE A 64 1.716 -10.316 9.533 1.00 0.00 C ATOM 1026 CD1 ILE A 64 1.573 -7.300 9.902 1.00 0.00 C ATOM 0 H ILE A 64 0.225 -9.511 6.877 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.676 -11.306 8.968 1.00 0.00 H new ATOM 0 HB ILE A 64 0.017 -9.501 10.543 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.970 -8.107 8.027 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.355 -7.585 9.047 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.440 -9.795 10.159 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.546 -11.317 9.930 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.102 -10.390 8.516 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.662 -6.290 9.501 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.204 -7.253 10.927 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.550 -7.783 9.890 1.00 0.00 H new ATOM 1038 N ASP A 65 -2.539 -8.977 7.817 1.00 0.00 N ATOM 1039 CA ASP A 65 -3.867 -8.371 7.906 1.00 0.00 C ATOM 1040 C ASP A 65 -4.934 -9.451 7.826 1.00 0.00 C ATOM 1041 O ASP A 65 -4.753 -10.470 7.134 1.00 0.00 O ATOM 1042 CB ASP A 65 -4.084 -7.307 6.823 1.00 0.00 C ATOM 1043 CG ASP A 65 -5.488 -6.727 6.852 1.00 0.00 C ATOM 1044 OD1 ASP A 65 -6.361 -7.266 6.182 1.00 0.00 O ATOM 1045 OD2 ASP A 65 -5.739 -5.759 7.582 1.00 0.00 O ATOM 0 H ASP A 65 -2.063 -8.832 6.927 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.943 -7.865 8.868 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.359 -6.504 6.957 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.896 -7.746 5.843 1.00 0.00 H new ATOM 1050 N GLY A 66 -6.026 -9.246 8.521 1.00 0.00 N ATOM 1051 CA GLY A 66 -7.040 -10.253 8.595 1.00 0.00 C ATOM 1052 C GLY A 66 -8.260 -9.969 7.747 1.00 0.00 C ATOM 1053 O GLY A 66 -9.165 -10.803 7.681 1.00 0.00 O ATOM 0 H GLY A 66 -6.229 -8.392 9.040 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.612 -11.207 8.287 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.351 -10.363 9.634 1.00 0.00 H new ATOM 1057 N ARG A 67 -8.301 -8.826 7.087 1.00 0.00 N ATOM 1058 CA ARG A 67 -9.450 -8.477 6.275 1.00 0.00 C ATOM 1059 C ARG A 67 -9.143 -8.702 4.824 1.00 0.00 C ATOM 1060 O ARG A 67 -10.036 -8.766 3.992 1.00 0.00 O ATOM 1061 CB ARG A 67 -9.902 -7.038 6.500 1.00 0.00 C ATOM 1062 CG ARG A 67 -10.439 -6.780 7.889 1.00 0.00 C ATOM 1063 CD ARG A 67 -11.002 -5.382 8.013 1.00 0.00 C ATOM 1064 NE ARG A 67 -9.981 -4.330 7.868 1.00 0.00 N ATOM 1065 CZ ARG A 67 -10.249 -3.031 7.742 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -11.512 -2.620 7.602 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -9.257 -2.148 7.727 1.00 0.00 N ATOM 0 H ARG A 67 -7.557 -8.128 7.097 1.00 0.00 H new ATOM 0 HA ARG A 67 -10.272 -9.125 6.579 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.061 -6.369 6.315 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.673 -6.790 5.770 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -11.216 -7.508 8.121 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -9.643 -6.919 8.620 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -11.772 -5.239 7.255 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -11.487 -5.277 8.984 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.002 -4.616 7.864 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.272 -3.301 7.592 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -11.717 -1.625 7.506 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.291 -2.465 7.812 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -9.461 -1.153 7.631 1.00 0.00 H new ATOM 1081 N PHE A 68 -7.886 -8.777 4.520 1.00 0.00 N ATOM 1082 CA PHE A 68 -7.438 -9.086 3.197 1.00 0.00 C ATOM 1083 C PHE A 68 -7.576 -10.566 2.888 1.00 0.00 C ATOM 1084 O PHE A 68 -7.689 -11.408 3.790 1.00 0.00 O ATOM 1085 CB PHE A 68 -6.014 -8.627 2.989 1.00 0.00 C ATOM 1086 CG PHE A 68 -5.905 -7.467 2.067 1.00 0.00 C ATOM 1087 CD1 PHE A 68 -5.760 -7.680 0.717 1.00 0.00 C ATOM 1088 CD2 PHE A 68 -5.941 -6.173 2.536 1.00 0.00 C ATOM 1089 CE1 PHE A 68 -5.653 -6.642 -0.155 1.00 0.00 C ATOM 1090 CE2 PHE A 68 -5.835 -5.114 1.661 1.00 0.00 C ATOM 1091 CZ PHE A 68 -5.690 -5.355 0.309 1.00 0.00 C ATOM 0 H PHE A 68 -7.132 -8.624 5.190 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.079 -8.544 2.502 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.580 -8.360 3.953 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.426 -9.455 2.593 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -5.730 -8.692 0.341 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.053 -5.987 3.594 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.539 -6.833 -1.212 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.865 -4.100 2.031 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.606 -4.529 -0.381 1.00 0.00 H new ATOM 1101 N LEU A 69 -7.589 -10.872 1.624 1.00 0.00 N ATOM 1102 CA LEU A 69 -7.749 -12.213 1.135 1.00 0.00 C ATOM 1103 C LEU A 69 -7.022 -12.372 -0.179 1.00 0.00 C ATOM 1104 O LEU A 69 -7.139 -11.510 -1.059 1.00 0.00 O ATOM 1105 CB LEU A 69 -9.246 -12.484 0.920 1.00 0.00 C ATOM 1106 CG LEU A 69 -9.634 -13.722 0.112 1.00 0.00 C ATOM 1107 CD1 LEU A 69 -9.316 -14.999 0.864 1.00 0.00 C ATOM 1108 CD2 LEU A 69 -11.094 -13.656 -0.256 1.00 0.00 C ATOM 0 H LEU A 69 -7.486 -10.178 0.883 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.337 -12.917 1.858 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.717 -12.562 1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.677 -11.613 0.427 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.042 -13.735 -0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.605 -15.859 0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.247 -15.043 1.070 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.867 -15.015 1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.364 -14.541 -0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.696 -13.615 0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.278 -12.764 -0.854 1.00 0.00 H new ATOM 1120 N ALA A 70 -6.253 -13.427 -0.302 1.00 0.00 N ATOM 1121 CA ALA A 70 -5.658 -13.765 -1.561 1.00 0.00 C ATOM 1122 C ALA A 70 -6.530 -14.773 -2.185 1.00 0.00 C ATOM 1123 O ALA A 70 -6.660 -15.888 -1.671 1.00 0.00 O ATOM 1124 CB ALA A 70 -4.258 -14.361 -1.429 1.00 0.00 C ATOM 0 H ALA A 70 -6.027 -14.065 0.461 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.559 -12.853 -2.149 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.867 -14.594 -2.419 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.601 -13.642 -0.939 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.305 -15.273 -0.834 1.00 0.00 H new ATOM 1130 N LEU A 71 -7.166 -14.407 -3.240 1.00 0.00 N ATOM 1131 CA LEU A 71 -7.943 -15.342 -3.963 1.00 0.00 C ATOM 1132 C LEU A 71 -6.993 -16.284 -4.709 1.00 0.00 C ATOM 1133 O LEU A 71 -5.765 -16.047 -4.724 1.00 0.00 O ATOM 1134 CB LEU A 71 -8.988 -14.664 -4.887 1.00 0.00 C ATOM 1135 CG LEU A 71 -10.122 -13.866 -4.179 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -9.634 -12.557 -3.562 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -11.271 -13.603 -5.120 1.00 0.00 C ATOM 0 H LEU A 71 -7.162 -13.461 -3.621 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.545 -15.929 -3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.461 -13.986 -5.559 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.447 -15.434 -5.506 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.469 -14.496 -3.360 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.470 -12.046 -3.084 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.865 -12.769 -2.819 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.218 -11.920 -4.342 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.048 -13.044 -4.598 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.918 -13.023 -5.973 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.679 -14.551 -5.470 1.00 0.00 H new ATOM 1149 N SER A 72 -7.544 -17.299 -5.317 1.00 0.00 N ATOM 1150 CA SER A 72 -6.817 -18.418 -5.918 1.00 0.00 C ATOM 1151 C SER A 72 -5.513 -18.075 -6.668 1.00 0.00 C ATOM 1152 O SER A 72 -4.518 -18.755 -6.499 1.00 0.00 O ATOM 1153 CB SER A 72 -7.767 -19.200 -6.799 1.00 0.00 C ATOM 1154 OG SER A 72 -8.459 -18.325 -7.683 1.00 0.00 O ATOM 0 H SER A 72 -8.555 -17.386 -5.419 1.00 0.00 H new ATOM 0 HA SER A 72 -6.461 -19.017 -5.080 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.213 -19.943 -7.373 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.482 -19.743 -6.181 1.00 0.00 H new ATOM 0 HG SER A 72 -9.068 -18.845 -8.248 1.00 0.00 H new ATOM 1160 N ASP A 73 -5.496 -17.020 -7.446 1.00 0.00 N ATOM 1161 CA ASP A 73 -4.297 -16.732 -8.244 1.00 0.00 C ATOM 1162 C ASP A 73 -3.520 -15.539 -7.764 1.00 0.00 C ATOM 1163 O ASP A 73 -2.883 -14.862 -8.562 1.00 0.00 O ATOM 1164 CB ASP A 73 -4.627 -16.585 -9.735 1.00 0.00 C ATOM 1165 CG ASP A 73 -4.968 -17.885 -10.402 1.00 0.00 C ATOM 1166 OD1 ASP A 73 -4.037 -18.577 -10.876 1.00 0.00 O ATOM 1167 OD2 ASP A 73 -6.165 -18.241 -10.467 1.00 0.00 O ATOM 0 H ASP A 73 -6.264 -16.357 -7.553 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.653 -17.601 -8.107 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.465 -15.897 -9.848 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -3.775 -16.136 -10.245 1.00 0.00 H new ATOM 1172 N GLN A 74 -3.541 -15.287 -6.458 1.00 0.00 N ATOM 1173 CA GLN A 74 -2.827 -14.125 -5.862 1.00 0.00 C ATOM 1174 C GLN A 74 -3.463 -12.856 -6.309 1.00 0.00 C ATOM 1175 O GLN A 74 -2.868 -11.778 -6.326 1.00 0.00 O ATOM 1176 CB GLN A 74 -1.303 -14.135 -6.122 1.00 0.00 C ATOM 1177 CG GLN A 74 -0.510 -14.998 -5.149 1.00 0.00 C ATOM 1178 CD GLN A 74 -1.035 -16.406 -5.043 1.00 0.00 C ATOM 1179 OE1 GLN A 74 -0.629 -17.291 -5.784 1.00 0.00 O ATOM 1180 NE2 GLN A 74 -1.898 -16.637 -4.093 1.00 0.00 N ATOM 0 H GLN A 74 -4.040 -15.862 -5.780 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.925 -14.207 -4.779 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.121 -14.490 -7.136 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.930 -13.112 -6.070 1.00 0.00 H new ATOM 0 HG2 GLN A 74 0.532 -15.028 -5.466 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.529 -14.534 -4.163 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -2.214 -15.874 -3.494 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -2.257 -17.581 -3.949 1.00 0.00 H new ATOM 1189 N THR A 75 -4.684 -13.004 -6.663 1.00 0.00 N ATOM 1190 CA THR A 75 -5.514 -11.930 -6.949 1.00 0.00 C ATOM 1191 C THR A 75 -6.036 -11.536 -5.590 1.00 0.00 C ATOM 1192 O THR A 75 -6.721 -12.321 -4.954 1.00 0.00 O ATOM 1193 CB THR A 75 -6.669 -12.402 -7.849 1.00 0.00 C ATOM 1194 OG1 THR A 75 -6.146 -13.293 -8.872 1.00 0.00 O ATOM 1195 CG2 THR A 75 -7.306 -11.216 -8.531 1.00 0.00 C ATOM 0 H THR A 75 -5.135 -13.914 -6.761 1.00 0.00 H new ATOM 0 HA THR A 75 -5.017 -11.112 -7.470 1.00 0.00 H new ATOM 0 HB THR A 75 -7.408 -12.917 -7.236 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.879 -13.597 -9.447 1.00 0.00 H new ATOM 0 HG21 THR A 75 -8.123 -11.557 -9.167 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.694 -10.529 -7.779 1.00 0.00 H new ATOM 0 HG23 THR A 75 -6.562 -10.704 -9.141 1.00 0.00 H new ATOM 1203 N TRP A 76 -5.685 -10.391 -5.118 1.00 0.00 N ATOM 1204 CA TRP A 76 -6.024 -10.051 -3.782 1.00 0.00 C ATOM 1205 C TRP A 76 -7.295 -9.285 -3.757 1.00 0.00 C ATOM 1206 O TRP A 76 -7.762 -8.785 -4.787 1.00 0.00 O ATOM 1207 CB TRP A 76 -4.907 -9.253 -3.088 1.00 0.00 C ATOM 1208 CG TRP A 76 -3.650 -10.035 -2.796 1.00 0.00 C ATOM 1209 CD1 TRP A 76 -2.602 -10.246 -3.630 1.00 0.00 C ATOM 1210 CD2 TRP A 76 -3.309 -10.684 -1.560 1.00 0.00 C ATOM 1211 NE1 TRP A 76 -1.631 -10.994 -2.996 1.00 0.00 N ATOM 1212 CE2 TRP A 76 -2.041 -11.271 -1.724 1.00 0.00 C ATOM 1213 CE3 TRP A 76 -3.956 -10.828 -0.337 1.00 0.00 C ATOM 1214 CZ2 TRP A 76 -1.408 -11.986 -0.696 1.00 0.00 C ATOM 1215 CZ3 TRP A 76 -3.333 -11.533 0.671 1.00 0.00 C ATOM 1216 CH2 TRP A 76 -2.073 -12.103 0.487 1.00 0.00 C ATOM 0 H TRP A 76 -5.167 -9.679 -5.633 1.00 0.00 H new ATOM 0 HA TRP A 76 -6.151 -10.981 -3.229 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -4.648 -8.399 -3.714 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -5.295 -8.855 -2.150 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -2.537 -9.881 -4.644 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -0.748 -11.292 -3.411 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.932 -10.394 -0.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -0.432 -12.426 -0.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -3.831 -11.646 1.623 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -1.615 -12.648 1.299 1.00 0.00 H new ATOM 1227 N GLY A 77 -7.876 -9.262 -2.620 1.00 0.00 N ATOM 1228 CA GLY A 77 -9.059 -8.557 -2.397 1.00 0.00 C ATOM 1229 C GLY A 77 -9.363 -8.578 -0.951 1.00 0.00 C ATOM 1230 O GLY A 77 -8.461 -8.737 -0.133 1.00 0.00 O ATOM 0 H GLY A 77 -7.524 -9.752 -1.798 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.957 -7.529 -2.746 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.877 -9.005 -2.961 1.00 0.00 H new ATOM 1234 N LEU A 78 -10.594 -8.500 -0.619 1.00 0.00 N ATOM 1235 CA LEU A 78 -10.971 -8.432 0.750 1.00 0.00 C ATOM 1236 C LEU A 78 -11.806 -9.619 1.132 1.00 0.00 C ATOM 1237 O LEU A 78 -12.642 -10.083 0.374 1.00 0.00 O ATOM 1238 CB LEU A 78 -11.660 -7.102 1.069 1.00 0.00 C ATOM 1239 CG LEU A 78 -10.791 -5.851 0.847 1.00 0.00 C ATOM 1240 CD1 LEU A 78 -11.578 -4.594 1.099 1.00 0.00 C ATOM 1241 CD2 LEU A 78 -9.558 -5.879 1.740 1.00 0.00 C ATOM 0 H LEU A 78 -11.371 -8.481 -1.280 1.00 0.00 H new ATOM 0 HA LEU A 78 -10.068 -8.468 1.359 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -12.556 -7.017 0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -11.987 -7.119 2.109 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.469 -5.856 -0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.940 -3.726 0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -12.428 -4.554 0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -11.938 -4.590 2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.961 -4.984 1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.866 -5.910 2.785 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.963 -6.763 1.511 1.00 0.00 H new ATOM 1253 N ARG A 79 -11.524 -10.120 2.285 1.00 0.00 N ATOM 1254 CA ARG A 79 -12.162 -11.277 2.838 1.00 0.00 C ATOM 1255 C ARG A 79 -13.558 -10.882 3.316 1.00 0.00 C ATOM 1256 O ARG A 79 -14.517 -11.635 3.193 1.00 0.00 O ATOM 1257 CB ARG A 79 -11.281 -11.777 3.977 1.00 0.00 C ATOM 1258 CG ARG A 79 -11.531 -13.185 4.408 1.00 0.00 C ATOM 1259 CD ARG A 79 -10.485 -13.641 5.400 1.00 0.00 C ATOM 1260 NE ARG A 79 -9.116 -13.553 4.844 1.00 0.00 N ATOM 1261 CZ ARG A 79 -8.243 -14.566 4.738 1.00 0.00 C ATOM 1262 NH1 ARG A 79 -8.569 -15.797 5.138 1.00 0.00 N ATOM 1263 NH2 ARG A 79 -7.035 -14.331 4.248 1.00 0.00 N ATOM 0 H ARG A 79 -10.813 -9.722 2.899 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.281 -12.077 2.107 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -10.238 -11.687 3.674 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -11.420 -11.121 4.837 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -12.521 -13.261 4.857 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -11.524 -13.842 3.538 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -10.550 -13.031 6.301 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -10.690 -14.670 5.696 1.00 0.00 H new ATOM 0 HE ARG A 79 -8.809 -12.639 4.511 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -9.493 -15.978 5.531 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -7.894 -16.557 5.051 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -6.778 -13.388 3.956 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -6.362 -15.093 4.162 1.00 0.00 H new ATOM 1277 N SER A 80 -13.665 -9.629 3.735 1.00 0.00 N ATOM 1278 CA SER A 80 -14.899 -9.022 4.218 1.00 0.00 C ATOM 1279 C SER A 80 -15.889 -8.724 3.044 1.00 0.00 C ATOM 1280 O SER A 80 -16.790 -7.891 3.160 1.00 0.00 O ATOM 1281 CB SER A 80 -14.506 -7.730 4.921 1.00 0.00 C ATOM 1282 OG SER A 80 -13.421 -7.975 5.808 1.00 0.00 O ATOM 0 H SER A 80 -12.872 -8.987 3.749 1.00 0.00 H new ATOM 0 HA SER A 80 -15.415 -9.702 4.896 1.00 0.00 H new ATOM 0 HB2 SER A 80 -14.224 -6.977 4.186 1.00 0.00 H new ATOM 0 HB3 SER A 80 -15.357 -7.333 5.474 1.00 0.00 H new ATOM 0 HG SER A 80 -13.170 -7.141 6.257 1.00 0.00 H new ATOM 1288 N TRP A 81 -15.696 -9.411 1.937 1.00 0.00 N ATOM 1289 CA TRP A 81 -16.522 -9.281 0.759 1.00 0.00 C ATOM 1290 C TRP A 81 -17.481 -10.449 0.603 1.00 0.00 C ATOM 1291 O TRP A 81 -18.464 -10.358 -0.147 1.00 0.00 O ATOM 1292 CB TRP A 81 -15.665 -9.284 -0.481 1.00 0.00 C ATOM 1293 CG TRP A 81 -15.033 -8.006 -0.891 1.00 0.00 C ATOM 1294 CD1 TRP A 81 -15.342 -6.738 -0.498 1.00 0.00 C ATOM 1295 CD2 TRP A 81 -14.019 -7.893 -1.872 1.00 0.00 C ATOM 1296 NE1 TRP A 81 -14.572 -5.839 -1.191 1.00 0.00 N ATOM 1297 CE2 TRP A 81 -13.746 -6.530 -2.041 1.00 0.00 C ATOM 1298 CE3 TRP A 81 -13.308 -8.838 -2.629 1.00 0.00 C ATOM 1299 CZ2 TRP A 81 -12.801 -6.075 -2.942 1.00 0.00 C ATOM 1300 CZ3 TRP A 81 -12.367 -8.384 -3.521 1.00 0.00 C ATOM 1301 CH2 TRP A 81 -12.121 -7.013 -3.673 1.00 0.00 C ATOM 0 H TRP A 81 -14.943 -10.090 1.831 1.00 0.00 H new ATOM 0 HA TRP A 81 -17.074 -8.348 0.878 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -14.872 -10.018 -0.338 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -16.279 -9.635 -1.311 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -16.081 -6.480 0.246 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -14.608 -4.825 -1.091 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -13.496 -9.895 -2.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -12.606 -5.020 -3.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -11.809 -9.094 -4.113 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -11.376 -6.688 -4.384 1.00 0.00 H new ATOM 1312 N TYR A 82 -17.176 -11.546 1.255 1.00 0.00 N ATOM 1313 CA TYR A 82 -17.917 -12.776 1.069 1.00 0.00 C ATOM 1314 C TYR A 82 -18.108 -13.441 2.431 1.00 0.00 C ATOM 1315 O TYR A 82 -17.687 -12.882 3.448 1.00 0.00 O ATOM 1316 CB TYR A 82 -17.102 -13.741 0.172 1.00 0.00 C ATOM 1317 CG TYR A 82 -16.732 -13.265 -1.221 1.00 0.00 C ATOM 1318 CD1 TYR A 82 -17.590 -13.458 -2.291 1.00 0.00 C ATOM 1319 CD2 TYR A 82 -15.499 -12.673 -1.469 1.00 0.00 C ATOM 1320 CE1 TYR A 82 -17.234 -13.065 -3.565 1.00 0.00 C ATOM 1321 CE2 TYR A 82 -15.134 -12.286 -2.735 1.00 0.00 C ATOM 1322 CZ TYR A 82 -16.005 -12.483 -3.783 1.00 0.00 C ATOM 1323 OH TYR A 82 -15.643 -12.103 -5.057 1.00 0.00 O ATOM 0 H TYR A 82 -16.411 -11.614 1.927 1.00 0.00 H new ATOM 0 HA TYR A 82 -18.878 -12.556 0.605 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -16.180 -13.990 0.698 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -17.670 -14.666 0.071 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -18.551 -13.922 -2.126 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -14.814 -12.514 -0.649 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -17.917 -13.213 -4.388 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -14.170 -11.830 -2.907 1.00 0.00 H new ATOM 0 HH TYR A 82 -14.746 -11.708 -5.038 1.00 0.00 H new TER 1333 TYR A 82