USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 599 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 1 MET CE :methyl 139:sc= -0.028 (180deg=-1.33) USER MOD Set 1.2: A 54 MET CE :methyl 163:sc=-0.00688 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -118:sc= 0.0763 (180deg=-0.162) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0199 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.171 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 177:sc= -0.0037 (180deg=-0.0112) USER MOD Single : A 14 THR OG1 : rot 74:sc= 0.121 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 GLN : amide:sc= -2.46 K(o=-2.5,f=-4.1!) USER MOD Single : A 21 MET CE :methyl -146:sc= 0 (180deg=-0.341) USER MOD Single : A 23 THR OG1 : rot -160:sc= -0.0564 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0131 X(o=-0.013,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl -175:sc= -0.601 (180deg=-0.662) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -110:sc= -0.0542 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -0.137 X(o=-0.14,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.468 4.711 5.225 1.00 0.00 N ATOM 2 CA MET A 1 -16.116 5.903 5.839 1.00 0.00 C ATOM 3 C MET A 1 -16.869 6.723 4.795 1.00 0.00 C ATOM 4 O MET A 1 -16.830 6.415 3.603 1.00 0.00 O ATOM 5 CB MET A 1 -15.037 6.765 6.504 1.00 0.00 C ATOM 6 CG MET A 1 -14.432 6.136 7.748 1.00 0.00 C ATOM 7 SD MET A 1 -13.062 7.101 8.411 1.00 0.00 S ATOM 8 CE MET A 1 -13.927 8.558 8.989 1.00 0.00 C ATOM 0 H1 MET A 1 -15.866 3.846 5.643 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.641 4.711 4.200 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.444 4.742 5.403 1.00 0.00 H new ATOM 0 HA MET A 1 -16.840 5.568 6.582 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.243 6.958 5.783 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.468 7.730 6.769 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.203 6.034 8.511 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.083 5.131 7.510 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.518 8.866 9.951 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.803 9.365 8.267 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.987 8.331 9.101 1.00 0.00 H new ATOM 20 N VAL A 2 -17.555 7.768 5.252 1.00 0.00 N ATOM 21 CA VAL A 2 -18.317 8.633 4.359 1.00 0.00 C ATOM 22 C VAL A 2 -17.569 9.943 4.087 1.00 0.00 C ATOM 23 O VAL A 2 -17.544 10.427 2.954 1.00 0.00 O ATOM 24 CB VAL A 2 -19.717 8.947 4.931 1.00 0.00 C ATOM 25 CG1 VAL A 2 -20.575 9.651 3.890 1.00 0.00 C ATOM 26 CG2 VAL A 2 -20.399 7.671 5.417 1.00 0.00 C ATOM 0 H VAL A 2 -17.598 8.035 6.235 1.00 0.00 H new ATOM 0 HA VAL A 2 -18.438 8.092 3.421 1.00 0.00 H new ATOM 0 HB VAL A 2 -19.596 9.615 5.784 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -21.557 9.864 4.312 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -20.096 10.585 3.595 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -20.687 9.009 3.016 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -21.384 7.914 5.816 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -20.506 6.976 4.584 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -19.795 7.210 6.198 1.00 0.00 H new ATOM 36 N SER A 3 -16.960 10.508 5.131 1.00 0.00 N ATOM 37 CA SER A 3 -16.212 11.761 5.007 1.00 0.00 C ATOM 38 C SER A 3 -14.822 11.521 4.412 1.00 0.00 C ATOM 39 O SER A 3 -14.106 10.609 4.832 1.00 0.00 O ATOM 40 CB SER A 3 -16.084 12.437 6.376 1.00 0.00 C ATOM 41 OG SER A 3 -15.707 11.505 7.377 1.00 0.00 O ATOM 0 H SER A 3 -16.970 10.117 6.073 1.00 0.00 H new ATOM 0 HA SER A 3 -16.763 12.415 4.331 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.344 13.235 6.322 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.033 12.900 6.646 1.00 0.00 H new ATOM 0 HG SER A 3 -15.631 11.964 8.239 1.00 0.00 H new ATOM 47 N THR A 4 -14.446 12.348 3.434 1.00 0.00 N ATOM 48 CA THR A 4 -13.140 12.229 2.782 1.00 0.00 C ATOM 49 C THR A 4 -12.800 13.492 1.988 1.00 0.00 C ATOM 50 O THR A 4 -13.684 14.274 1.635 1.00 0.00 O ATOM 51 CB THR A 4 -13.105 11.004 1.854 1.00 0.00 C ATOM 52 OG1 THR A 4 -11.943 11.019 1.035 1.00 0.00 O ATOM 53 CG2 THR A 4 -14.316 10.902 0.945 1.00 0.00 C ATOM 0 H THR A 4 -15.027 13.107 3.076 1.00 0.00 H new ATOM 0 HA THR A 4 -12.392 12.102 3.565 1.00 0.00 H new ATOM 0 HB THR A 4 -13.101 10.141 2.520 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.942 10.230 0.454 1.00 0.00 H new ATOM 0 HG21 THR A 4 -14.226 10.015 0.317 1.00 0.00 H new ATOM 0 HG22 THR A 4 -15.220 10.828 1.550 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.373 11.789 0.314 1.00 0.00 H new ATOM 61 N TYR A 5 -11.509 13.677 1.710 1.00 0.00 N ATOM 62 CA TYR A 5 -11.039 14.836 0.954 1.00 0.00 C ATOM 63 C TYR A 5 -10.691 14.455 -0.488 1.00 0.00 C ATOM 64 O TYR A 5 -10.829 15.273 -1.399 1.00 0.00 O ATOM 65 CB TYR A 5 -9.818 15.460 1.635 1.00 0.00 C ATOM 66 CG TYR A 5 -10.169 16.430 2.742 1.00 0.00 C ATOM 67 CD1 TYR A 5 -10.360 17.781 2.474 1.00 0.00 C ATOM 68 CD2 TYR A 5 -10.308 15.996 4.054 1.00 0.00 C ATOM 69 CE1 TYR A 5 -10.678 18.670 3.483 1.00 0.00 C ATOM 70 CE2 TYR A 5 -10.626 16.879 5.068 1.00 0.00 C ATOM 71 CZ TYR A 5 -10.810 18.215 4.778 1.00 0.00 C ATOM 72 OH TYR A 5 -11.125 19.098 5.785 1.00 0.00 O ATOM 0 H TYR A 5 -10.769 13.037 1.998 1.00 0.00 H new ATOM 0 HA TYR A 5 -11.848 15.566 0.930 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -9.195 14.665 2.045 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -9.220 15.979 0.885 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -10.258 18.141 1.461 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -10.165 14.951 4.285 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -10.822 19.716 3.258 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -10.730 16.525 6.083 1.00 0.00 H new ATOM 0 HH TYR A 5 -11.182 18.616 6.637 1.00 0.00 H new ATOM 82 N ASP A 6 -10.235 13.214 -0.689 1.00 0.00 N ATOM 83 CA ASP A 6 -9.868 12.740 -2.023 1.00 0.00 C ATOM 84 C ASP A 6 -9.884 11.213 -2.101 1.00 0.00 C ATOM 85 O ASP A 6 -9.922 10.529 -1.075 1.00 0.00 O ATOM 86 CB ASP A 6 -8.482 13.268 -2.412 1.00 0.00 C ATOM 87 CG ASP A 6 -8.319 13.425 -3.913 1.00 0.00 C ATOM 88 OD1 ASP A 6 -9.144 14.131 -4.532 1.00 0.00 O ATOM 89 OD2 ASP A 6 -7.364 12.844 -4.470 1.00 0.00 O ATOM 0 H ASP A 6 -10.112 12.524 0.053 1.00 0.00 H new ATOM 0 HA ASP A 6 -10.610 13.121 -2.724 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.315 14.231 -1.929 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.719 12.586 -2.036 1.00 0.00 H new ATOM 94 N GLU A 7 -9.858 10.688 -3.330 1.00 0.00 N ATOM 95 CA GLU A 7 -9.874 9.245 -3.557 1.00 0.00 C ATOM 96 C GLU A 7 -8.866 8.844 -4.636 1.00 0.00 C ATOM 97 O GLU A 7 -9.009 9.221 -5.800 1.00 0.00 O ATOM 98 CB GLU A 7 -11.281 8.798 -3.967 1.00 0.00 C ATOM 99 CG GLU A 7 -11.457 7.288 -4.009 1.00 0.00 C ATOM 100 CD GLU A 7 -12.530 6.853 -4.989 1.00 0.00 C ATOM 101 OE1 GLU A 7 -13.706 7.219 -4.786 1.00 0.00 O ATOM 102 OE2 GLU A 7 -12.191 6.146 -5.962 1.00 0.00 O ATOM 0 H GLU A 7 -9.826 11.245 -4.184 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.591 8.751 -2.627 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.004 9.219 -3.269 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -11.511 9.209 -4.950 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.510 6.823 -4.283 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.713 6.928 -3.012 1.00 0.00 H new ATOM 109 N ILE A 8 -7.850 8.076 -4.238 1.00 0.00 N ATOM 110 CA ILE A 8 -6.815 7.618 -5.166 1.00 0.00 C ATOM 111 C ILE A 8 -6.870 6.098 -5.351 1.00 0.00 C ATOM 112 O ILE A 8 -7.288 5.369 -4.450 1.00 0.00 O ATOM 113 CB ILE A 8 -5.402 8.019 -4.681 1.00 0.00 C ATOM 114 CG1 ILE A 8 -5.364 9.503 -4.297 1.00 0.00 C ATOM 115 CG2 ILE A 8 -4.366 7.723 -5.757 1.00 0.00 C ATOM 116 CD1 ILE A 8 -5.712 9.766 -2.848 1.00 0.00 C ATOM 0 H ILE A 8 -7.722 7.758 -3.277 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.012 8.103 -6.122 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.163 7.428 -3.797 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.368 9.896 -4.499 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.058 10.052 -4.933 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.377 8.011 -5.399 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.373 6.657 -5.985 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.605 8.289 -6.658 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.664 10.837 -2.651 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.720 9.404 -2.644 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.003 9.246 -2.203 1.00 0.00 H new ATOM 128 N GLU A 9 -6.445 5.628 -6.527 1.00 0.00 N ATOM 129 CA GLU A 9 -6.446 4.197 -6.834 1.00 0.00 C ATOM 130 C GLU A 9 -5.065 3.581 -6.611 1.00 0.00 C ATOM 131 O GLU A 9 -4.042 4.244 -6.797 1.00 0.00 O ATOM 132 CB GLU A 9 -6.888 3.962 -8.284 1.00 0.00 C ATOM 133 CG GLU A 9 -8.320 4.398 -8.570 1.00 0.00 C ATOM 134 CD GLU A 9 -8.493 4.987 -9.959 1.00 0.00 C ATOM 135 OE1 GLU A 9 -7.755 5.935 -10.301 1.00 0.00 O ATOM 136 OE2 GLU A 9 -9.371 4.500 -10.704 1.00 0.00 O ATOM 0 H GLU A 9 -6.096 6.219 -7.282 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.152 3.714 -6.158 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.214 4.500 -8.951 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.788 2.902 -8.517 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.984 3.541 -8.459 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.625 5.136 -7.828 1.00 0.00 H new ATOM 143 N ILE A 10 -5.047 2.304 -6.218 1.00 0.00 N ATOM 144 CA ILE A 10 -3.794 1.585 -5.974 1.00 0.00 C ATOM 145 C ILE A 10 -2.910 1.564 -7.225 1.00 0.00 C ATOM 146 O ILE A 10 -1.682 1.560 -7.123 1.00 0.00 O ATOM 147 CB ILE A 10 -4.049 0.132 -5.497 1.00 0.00 C ATOM 148 CG1 ILE A 10 -2.728 -0.551 -5.128 1.00 0.00 C ATOM 149 CG2 ILE A 10 -4.786 -0.674 -6.561 1.00 0.00 C ATOM 150 CD1 ILE A 10 -2.901 -1.954 -4.589 1.00 0.00 C ATOM 0 H ILE A 10 -5.887 1.747 -6.062 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.275 2.125 -5.182 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.680 0.175 -4.609 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.088 -0.586 -6.010 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.211 0.054 -4.383 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.951 -1.689 -6.199 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.746 -0.204 -6.774 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.188 -0.706 -7.472 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.924 -2.375 -4.349 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.514 -1.925 -3.688 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.389 -2.575 -5.340 1.00 0.00 H new ATOM 162 N GLU A 11 -3.540 1.556 -8.402 1.00 0.00 N ATOM 163 CA GLU A 11 -2.809 1.544 -9.669 1.00 0.00 C ATOM 164 C GLU A 11 -1.969 2.814 -9.839 1.00 0.00 C ATOM 165 O GLU A 11 -0.943 2.798 -10.520 1.00 0.00 O ATOM 166 CB GLU A 11 -3.782 1.406 -10.844 1.00 0.00 C ATOM 167 CG GLU A 11 -4.153 -0.034 -11.168 1.00 0.00 C ATOM 168 CD GLU A 11 -4.961 -0.157 -12.447 1.00 0.00 C ATOM 169 OE1 GLU A 11 -5.984 0.549 -12.575 1.00 0.00 O ATOM 170 OE2 GLU A 11 -4.571 -0.960 -13.321 1.00 0.00 O ATOM 0 H GLU A 11 -4.555 1.558 -8.503 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.136 0.687 -9.655 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.691 1.964 -10.618 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.338 1.865 -11.727 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.243 -0.628 -11.259 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.725 -0.453 -10.340 1.00 0.00 H new ATOM 177 N ASP A 12 -2.406 3.911 -9.217 1.00 0.00 N ATOM 178 CA ASP A 12 -1.689 5.182 -9.304 1.00 0.00 C ATOM 179 C ASP A 12 -0.743 5.371 -8.112 1.00 0.00 C ATOM 180 O ASP A 12 -0.564 6.487 -7.622 1.00 0.00 O ATOM 181 CB ASP A 12 -2.685 6.346 -9.380 1.00 0.00 C ATOM 182 CG ASP A 12 -3.128 6.640 -10.802 1.00 0.00 C ATOM 183 OD1 ASP A 12 -3.641 5.716 -11.468 1.00 0.00 O ATOM 184 OD2 ASP A 12 -2.963 7.795 -11.248 1.00 0.00 O ATOM 0 H ASP A 12 -3.252 3.943 -8.648 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.086 5.167 -10.212 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.559 6.113 -8.772 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.229 7.239 -8.953 1.00 0.00 H new ATOM 189 N MET A 13 -0.134 4.274 -7.654 1.00 0.00 N ATOM 190 CA MET A 13 0.797 4.321 -6.526 1.00 0.00 C ATOM 191 C MET A 13 2.188 3.852 -6.946 1.00 0.00 C ATOM 192 O MET A 13 2.400 3.450 -8.091 1.00 0.00 O ATOM 193 CB MET A 13 0.282 3.452 -5.374 1.00 0.00 C ATOM 194 CG MET A 13 -0.663 4.182 -4.433 1.00 0.00 C ATOM 195 SD MET A 13 -0.132 4.107 -2.711 1.00 0.00 S ATOM 196 CE MET A 13 -1.693 3.828 -1.876 1.00 0.00 C ATOM 0 H MET A 13 -0.270 3.343 -8.048 1.00 0.00 H new ATOM 0 HA MET A 13 0.867 5.356 -6.190 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.230 2.583 -5.787 1.00 0.00 H new ATOM 0 HB3 MET A 13 1.133 3.079 -4.803 1.00 0.00 H new ATOM 0 HG2 MET A 13 -0.739 5.225 -4.740 1.00 0.00 H new ATOM 0 HG3 MET A 13 -1.660 3.750 -4.520 1.00 0.00 H new ATOM 0 HE1 MET A 13 -1.517 3.706 -0.807 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.351 4.681 -2.041 1.00 0.00 H new ATOM 0 HE3 MET A 13 -2.161 2.927 -2.271 1.00 0.00 H new ATOM 206 N THR A 14 3.135 3.906 -6.008 1.00 0.00 N ATOM 207 CA THR A 14 4.508 3.486 -6.275 1.00 0.00 C ATOM 208 C THR A 14 4.816 2.172 -5.560 1.00 0.00 C ATOM 209 O THR A 14 5.346 2.172 -4.448 1.00 0.00 O ATOM 210 CB THR A 14 5.503 4.568 -5.832 1.00 0.00 C ATOM 211 OG1 THR A 14 4.981 5.868 -6.057 1.00 0.00 O ATOM 212 CG2 THR A 14 6.836 4.481 -6.546 1.00 0.00 C ATOM 0 H THR A 14 2.974 4.237 -5.057 1.00 0.00 H new ATOM 0 HA THR A 14 4.611 3.335 -7.350 1.00 0.00 H new ATOM 0 HB THR A 14 5.660 4.390 -4.768 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.287 6.061 -5.393 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.493 5.273 -6.187 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.293 3.512 -6.346 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.682 4.595 -7.619 1.00 0.00 H new ATOM 220 N PHE A 15 4.481 1.056 -6.204 1.00 0.00 N ATOM 221 CA PHE A 15 4.725 -0.265 -5.625 1.00 0.00 C ATOM 222 C PHE A 15 6.138 -0.749 -5.948 1.00 0.00 C ATOM 223 O PHE A 15 6.629 -0.557 -7.062 1.00 0.00 O ATOM 224 CB PHE A 15 3.688 -1.281 -6.124 1.00 0.00 C ATOM 225 CG PHE A 15 3.535 -1.328 -7.623 1.00 0.00 C ATOM 226 CD1 PHE A 15 4.403 -2.078 -8.401 1.00 0.00 C ATOM 227 CD2 PHE A 15 2.519 -0.623 -8.252 1.00 0.00 C ATOM 228 CE1 PHE A 15 4.261 -2.125 -9.775 1.00 0.00 C ATOM 229 CE2 PHE A 15 2.374 -0.665 -9.626 1.00 0.00 C ATOM 230 CZ PHE A 15 3.246 -1.417 -10.389 1.00 0.00 C ATOM 0 H PHE A 15 4.041 1.039 -7.124 1.00 0.00 H new ATOM 0 HA PHE A 15 4.629 -0.177 -4.543 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.968 -2.272 -5.768 1.00 0.00 H new ATOM 0 HB3 PHE A 15 2.721 -1.044 -5.679 1.00 0.00 H new ATOM 0 HD1 PHE A 15 5.200 -2.632 -7.928 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.833 -0.034 -7.661 1.00 0.00 H new ATOM 0 HE1 PHE A 15 4.943 -2.715 -10.369 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.579 -0.110 -10.103 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.135 -1.451 -11.463 1.00 0.00 H new ATOM 240 N GLU A 16 6.790 -1.372 -4.965 1.00 0.00 N ATOM 241 CA GLU A 16 8.151 -1.874 -5.147 1.00 0.00 C ATOM 242 C GLU A 16 8.335 -3.252 -4.505 1.00 0.00 C ATOM 243 O GLU A 16 7.591 -3.629 -3.596 1.00 0.00 O ATOM 244 CB GLU A 16 9.158 -0.885 -4.551 1.00 0.00 C ATOM 245 CG GLU A 16 9.320 0.385 -5.373 1.00 0.00 C ATOM 246 CD GLU A 16 10.615 1.123 -5.083 1.00 0.00 C ATOM 247 OE1 GLU A 16 11.661 0.458 -4.922 1.00 0.00 O ATOM 248 OE2 GLU A 16 10.582 2.371 -5.022 1.00 0.00 O ATOM 0 H GLU A 16 6.399 -1.540 -4.038 1.00 0.00 H new ATOM 0 HA GLU A 16 8.327 -1.976 -6.218 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.840 -0.618 -3.543 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.127 -1.376 -4.460 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.283 0.132 -6.433 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.479 1.049 -5.174 1.00 0.00 H new ATOM 255 N PRO A 17 9.347 -4.018 -4.968 1.00 0.00 N ATOM 256 CA PRO A 17 9.653 -5.358 -4.439 1.00 0.00 C ATOM 257 C PRO A 17 10.074 -5.336 -2.966 1.00 0.00 C ATOM 258 O PRO A 17 10.156 -6.387 -2.330 1.00 0.00 O ATOM 259 CB PRO A 17 10.824 -5.838 -5.310 1.00 0.00 C ATOM 260 CG PRO A 17 10.801 -4.961 -6.512 1.00 0.00 C ATOM 261 CD PRO A 17 10.280 -3.635 -6.039 1.00 0.00 C ATOM 0 HA PRO A 17 8.776 -6.005 -4.476 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.771 -5.752 -4.778 1.00 0.00 H new ATOM 0 HB3 PRO A 17 10.707 -6.886 -5.585 1.00 0.00 H new ATOM 0 HG2 PRO A 17 11.798 -4.859 -6.941 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.160 -5.379 -7.289 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.080 -2.994 -5.669 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.778 -3.089 -6.838 1.00 0.00 H new ATOM 269 N GLU A 18 10.348 -4.139 -2.435 1.00 0.00 N ATOM 270 CA GLU A 18 10.766 -3.984 -1.042 1.00 0.00 C ATOM 271 C GLU A 18 9.635 -4.372 -0.088 1.00 0.00 C ATOM 272 O GLU A 18 8.888 -3.518 0.394 1.00 0.00 O ATOM 273 CB GLU A 18 11.223 -2.541 -0.776 1.00 0.00 C ATOM 274 CG GLU A 18 10.283 -1.480 -1.339 1.00 0.00 C ATOM 275 CD GLU A 18 10.427 -0.130 -0.658 1.00 0.00 C ATOM 276 OE1 GLU A 18 10.525 -0.096 0.587 1.00 0.00 O ATOM 277 OE2 GLU A 18 10.436 0.895 -1.373 1.00 0.00 O ATOM 0 H GLU A 18 10.287 -3.262 -2.953 1.00 0.00 H new ATOM 0 HA GLU A 18 11.607 -4.654 -0.862 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.319 -2.393 0.300 1.00 0.00 H new ATOM 0 HB3 GLU A 18 12.214 -2.399 -1.207 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.474 -1.364 -2.406 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.254 -1.824 -1.235 1.00 0.00 H new ATOM 284 N ASN A 19 9.512 -5.676 0.167 1.00 0.00 N ATOM 285 CA ASN A 19 8.473 -6.211 1.051 1.00 0.00 C ATOM 286 C ASN A 19 7.067 -5.920 0.513 1.00 0.00 C ATOM 287 O ASN A 19 6.097 -5.909 1.275 1.00 0.00 O ATOM 288 CB ASN A 19 8.620 -5.637 2.464 1.00 0.00 C ATOM 289 CG ASN A 19 9.436 -6.537 3.371 1.00 0.00 C ATOM 290 OD1 ASN A 19 8.889 -7.387 4.074 1.00 0.00 O ATOM 291 ND2 ASN A 19 10.752 -6.359 3.358 1.00 0.00 N ATOM 0 H ASN A 19 10.125 -6.388 -0.230 1.00 0.00 H new ATOM 0 HA ASN A 19 8.603 -7.293 1.088 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.094 -4.657 2.408 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.631 -5.489 2.898 1.00 0.00 H new ATOM 0 HD21 ASN A 19 11.351 -6.939 3.946 1.00 0.00 H new ATOM 0 HD22 ASN A 19 11.164 -5.643 2.760 1.00 0.00 H new ATOM 298 N GLN A 20 6.963 -5.692 -0.800 1.00 0.00 N ATOM 299 CA GLN A 20 5.682 -5.404 -1.442 1.00 0.00 C ATOM 300 C GLN A 20 4.965 -4.240 -0.754 1.00 0.00 C ATOM 301 O GLN A 20 4.032 -4.440 0.029 1.00 0.00 O ATOM 302 CB GLN A 20 4.795 -6.655 -1.455 1.00 0.00 C ATOM 303 CG GLN A 20 4.425 -7.115 -2.858 1.00 0.00 C ATOM 304 CD GLN A 20 3.934 -8.551 -2.900 1.00 0.00 C ATOM 305 OE1 GLN A 20 2.732 -8.809 -2.854 1.00 0.00 O ATOM 306 NE2 GLN A 20 4.865 -9.494 -2.995 1.00 0.00 N ATOM 0 H GLN A 20 7.757 -5.702 -1.440 1.00 0.00 H new ATOM 0 HA GLN A 20 5.881 -5.109 -2.472 1.00 0.00 H new ATOM 0 HB2 GLN A 20 5.312 -7.464 -0.939 1.00 0.00 H new ATOM 0 HB3 GLN A 20 3.883 -6.451 -0.894 1.00 0.00 H new ATOM 0 HG2 GLN A 20 3.650 -6.460 -3.257 1.00 0.00 H new ATOM 0 HG3 GLN A 20 5.294 -7.014 -3.509 1.00 0.00 H new ATOM 0 HE21 GLN A 20 5.851 -9.235 -3.030 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.594 -10.477 -3.033 1.00 0.00 H new ATOM 315 N MET A 21 5.412 -3.024 -1.055 1.00 0.00 N ATOM 316 CA MET A 21 4.822 -1.818 -0.477 1.00 0.00 C ATOM 317 C MET A 21 4.577 -0.768 -1.556 1.00 0.00 C ATOM 318 O MET A 21 5.373 -0.626 -2.487 1.00 0.00 O ATOM 319 CB MET A 21 5.732 -1.242 0.615 1.00 0.00 C ATOM 320 CG MET A 21 7.074 -0.735 0.101 1.00 0.00 C ATOM 321 SD MET A 21 7.113 1.057 -0.098 1.00 0.00 S ATOM 322 CE MET A 21 7.779 1.562 1.487 1.00 0.00 C ATOM 0 H MET A 21 6.184 -2.846 -1.698 1.00 0.00 H new ATOM 0 HA MET A 21 3.866 -2.091 -0.030 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.212 -0.423 1.112 1.00 0.00 H new ATOM 0 HB3 MET A 21 5.910 -2.010 1.368 1.00 0.00 H new ATOM 0 HG2 MET A 21 7.860 -1.037 0.793 1.00 0.00 H new ATOM 0 HG3 MET A 21 7.293 -1.207 -0.857 1.00 0.00 H new ATOM 0 HE1 MET A 21 7.339 2.515 1.780 1.00 0.00 H new ATOM 0 HE2 MET A 21 7.543 0.808 2.238 1.00 0.00 H new ATOM 0 HE3 MET A 21 8.861 1.671 1.409 1.00 0.00 H new ATOM 332 N PHE A 22 3.476 -0.029 -1.422 1.00 0.00 N ATOM 333 CA PHE A 22 3.132 1.016 -2.384 1.00 0.00 C ATOM 334 C PHE A 22 2.864 2.340 -1.669 1.00 0.00 C ATOM 335 O PHE A 22 2.145 2.381 -0.667 1.00 0.00 O ATOM 336 CB PHE A 22 1.922 0.608 -3.242 1.00 0.00 C ATOM 337 CG PHE A 22 0.827 -0.105 -2.492 1.00 0.00 C ATOM 338 CD1 PHE A 22 1.013 -1.395 -2.017 1.00 0.00 C ATOM 339 CD2 PHE A 22 -0.394 0.513 -2.273 1.00 0.00 C ATOM 340 CE1 PHE A 22 0.005 -2.050 -1.336 1.00 0.00 C ATOM 341 CE2 PHE A 22 -1.406 -0.139 -1.595 1.00 0.00 C ATOM 342 CZ PHE A 22 -1.206 -1.421 -1.125 1.00 0.00 C ATOM 0 H PHE A 22 2.809 -0.135 -0.658 1.00 0.00 H new ATOM 0 HA PHE A 22 3.984 1.150 -3.051 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.504 1.502 -3.704 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.268 -0.036 -4.050 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.957 -1.893 -2.181 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.556 1.517 -2.637 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.164 -3.053 -0.969 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.353 0.354 -1.433 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.995 -1.931 -0.593 1.00 0.00 H new ATOM 352 N THR A 23 3.468 3.416 -2.178 1.00 0.00 N ATOM 353 CA THR A 23 3.319 4.743 -1.581 1.00 0.00 C ATOM 354 C THR A 23 2.755 5.756 -2.580 1.00 0.00 C ATOM 355 O THR A 23 2.845 5.564 -3.796 1.00 0.00 O ATOM 356 CB THR A 23 4.675 5.231 -1.058 1.00 0.00 C ATOM 357 OG1 THR A 23 5.658 5.178 -2.079 1.00 0.00 O ATOM 358 CG2 THR A 23 5.191 4.423 0.114 1.00 0.00 C ATOM 0 H THR A 23 4.066 3.393 -3.004 1.00 0.00 H new ATOM 0 HA THR A 23 2.611 4.659 -0.756 1.00 0.00 H new ATOM 0 HB THR A 23 4.503 6.255 -0.727 1.00 0.00 H new ATOM 0 HG1 THR A 23 6.551 5.180 -1.674 1.00 0.00 H new ATOM 0 HG21 THR A 23 6.154 4.821 0.435 1.00 0.00 H new ATOM 0 HG22 THR A 23 4.481 4.483 0.938 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.311 3.382 -0.186 1.00 0.00 H new ATOM 366 N TYR A 24 2.177 6.839 -2.055 1.00 0.00 N ATOM 367 CA TYR A 24 1.598 7.890 -2.890 1.00 0.00 C ATOM 368 C TYR A 24 1.900 9.278 -2.322 1.00 0.00 C ATOM 369 O TYR A 24 1.801 9.497 -1.114 1.00 0.00 O ATOM 370 CB TYR A 24 0.082 7.700 -3.005 1.00 0.00 C ATOM 371 CG TYR A 24 -0.598 8.739 -3.871 1.00 0.00 C ATOM 372 CD1 TYR A 24 -1.057 9.935 -3.329 1.00 0.00 C ATOM 373 CD2 TYR A 24 -0.775 8.527 -5.232 1.00 0.00 C ATOM 374 CE1 TYR A 24 -1.673 10.886 -4.118 1.00 0.00 C ATOM 375 CE2 TYR A 24 -1.388 9.474 -6.029 1.00 0.00 C ATOM 376 CZ TYR A 24 -1.836 10.652 -5.467 1.00 0.00 C ATOM 377 OH TYR A 24 -2.445 11.600 -6.259 1.00 0.00 O ATOM 0 H TYR A 24 2.098 7.010 -1.052 1.00 0.00 H new ATOM 0 HA TYR A 24 2.050 7.817 -3.879 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.121 6.710 -3.414 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.356 7.729 -2.007 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -0.929 10.123 -2.273 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -0.427 7.605 -5.675 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.025 11.809 -3.681 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -1.516 9.294 -7.086 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.480 11.280 -7.184 1.00 0.00 H new ATOM 387 N PRO A 25 2.267 10.240 -3.195 1.00 0.00 N ATOM 388 CA PRO A 25 2.575 11.614 -2.780 1.00 0.00 C ATOM 389 C PRO A 25 1.322 12.404 -2.401 1.00 0.00 C ATOM 390 O PRO A 25 0.596 12.890 -3.271 1.00 0.00 O ATOM 391 CB PRO A 25 3.235 12.216 -4.023 1.00 0.00 C ATOM 392 CG PRO A 25 2.650 11.458 -5.163 1.00 0.00 C ATOM 393 CD PRO A 25 2.403 10.064 -4.655 1.00 0.00 C ATOM 0 HA PRO A 25 3.204 11.641 -1.890 1.00 0.00 H new ATOM 0 HB2 PRO A 25 3.025 13.282 -4.106 1.00 0.00 H new ATOM 0 HB3 PRO A 25 4.319 12.107 -3.989 1.00 0.00 H new ATOM 0 HG2 PRO A 25 1.722 11.919 -5.502 1.00 0.00 H new ATOM 0 HG3 PRO A 25 3.331 11.448 -6.014 1.00 0.00 H new ATOM 0 HD2 PRO A 25 1.502 9.633 -5.092 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.228 9.396 -4.902 1.00 0.00 H new ATOM 401 N CYS A 26 1.076 12.530 -1.098 1.00 0.00 N ATOM 402 CA CYS A 26 -0.085 13.264 -0.599 1.00 0.00 C ATOM 403 C CYS A 26 0.062 14.760 -0.875 1.00 0.00 C ATOM 404 O CYS A 26 1.156 15.314 -0.743 1.00 0.00 O ATOM 405 CB CYS A 26 -0.258 13.022 0.905 1.00 0.00 C ATOM 406 SG CYS A 26 -1.697 13.863 1.646 1.00 0.00 S ATOM 0 H CYS A 26 1.667 12.132 -0.368 1.00 0.00 H new ATOM 0 HA CYS A 26 -0.970 12.901 -1.121 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.350 11.950 1.079 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.644 13.352 1.419 1.00 0.00 H new ATOM 411 N PRO A 27 -1.040 15.436 -1.266 1.00 0.00 N ATOM 412 CA PRO A 27 -1.031 16.876 -1.561 1.00 0.00 C ATOM 413 C PRO A 27 -0.356 17.710 -0.470 1.00 0.00 C ATOM 414 O PRO A 27 0.170 18.790 -0.748 1.00 0.00 O ATOM 415 CB PRO A 27 -2.518 17.223 -1.651 1.00 0.00 C ATOM 416 CG PRO A 27 -3.166 15.962 -2.099 1.00 0.00 C ATOM 417 CD PRO A 27 -2.383 14.849 -1.455 1.00 0.00 C ATOM 0 HA PRO A 27 -0.463 17.096 -2.465 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.909 17.550 -0.687 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.695 18.033 -2.358 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.212 15.931 -1.796 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -3.146 15.876 -3.185 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.825 14.544 -0.506 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.348 13.963 -2.090 1.00 0.00 H new ATOM 425 N CYS A 28 -0.372 17.208 0.770 1.00 0.00 N ATOM 426 CA CYS A 28 0.241 17.917 1.894 1.00 0.00 C ATOM 427 C CYS A 28 1.733 18.172 1.649 1.00 0.00 C ATOM 428 O CYS A 28 2.296 19.147 2.155 1.00 0.00 O ATOM 429 CB CYS A 28 0.050 17.124 3.194 1.00 0.00 C ATOM 430 SG CYS A 28 1.213 15.737 3.410 1.00 0.00 S ATOM 0 H CYS A 28 -0.802 16.317 1.018 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.256 18.883 1.987 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.155 17.805 4.039 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.968 16.736 3.222 1.00 0.00 H new ATOM 435 N GLY A 29 2.366 17.289 0.875 1.00 0.00 N ATOM 436 CA GLY A 29 3.783 17.429 0.578 1.00 0.00 C ATOM 437 C GLY A 29 4.614 16.233 1.024 1.00 0.00 C ATOM 438 O GLY A 29 5.845 16.292 1.002 1.00 0.00 O ATOM 0 H GLY A 29 1.920 16.477 0.448 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.910 17.570 -0.495 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.162 18.328 1.065 1.00 0.00 H new ATOM 442 N ASP A 30 3.951 15.148 1.429 1.00 0.00 N ATOM 443 CA ASP A 30 4.649 13.945 1.877 1.00 0.00 C ATOM 444 C ASP A 30 4.235 12.727 1.040 1.00 0.00 C ATOM 445 O ASP A 30 3.643 12.878 -0.031 1.00 0.00 O ATOM 446 CB ASP A 30 4.364 13.702 3.363 1.00 0.00 C ATOM 447 CG ASP A 30 5.578 13.184 4.111 1.00 0.00 C ATOM 448 OD1 ASP A 30 6.519 13.974 4.337 1.00 0.00 O ATOM 449 OD2 ASP A 30 5.588 11.987 4.468 1.00 0.00 O ATOM 0 H ASP A 30 2.934 15.079 1.455 1.00 0.00 H new ATOM 0 HA ASP A 30 5.720 14.093 1.742 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.028 14.632 3.822 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.548 12.986 3.461 1.00 0.00 H new ATOM 454 N ARG A 31 4.554 11.521 1.524 1.00 0.00 N ATOM 455 CA ARG A 31 4.215 10.290 0.809 1.00 0.00 C ATOM 456 C ARG A 31 3.697 9.218 1.769 1.00 0.00 C ATOM 457 O ARG A 31 4.425 8.767 2.655 1.00 0.00 O ATOM 458 CB ARG A 31 5.438 9.763 0.052 1.00 0.00 C ATOM 459 CG ARG A 31 5.098 9.107 -1.278 1.00 0.00 C ATOM 460 CD ARG A 31 6.336 8.537 -1.955 1.00 0.00 C ATOM 461 NE ARG A 31 6.252 8.614 -3.414 1.00 0.00 N ATOM 462 CZ ARG A 31 6.352 9.750 -4.108 1.00 0.00 C ATOM 463 NH1 ARG A 31 6.516 10.911 -3.478 1.00 0.00 N ATOM 464 NH2 ARG A 31 6.285 9.726 -5.435 1.00 0.00 N ATOM 0 H ARG A 31 5.045 11.374 2.406 1.00 0.00 H new ATOM 0 HA ARG A 31 3.424 10.523 0.097 1.00 0.00 H new ATOM 0 HB2 ARG A 31 6.128 10.588 -0.126 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.960 9.041 0.680 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.372 8.310 -1.116 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.628 9.838 -1.935 1.00 0.00 H new ATOM 0 HD2 ARG A 31 7.217 9.080 -1.614 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.466 7.497 -1.654 1.00 0.00 H new ATOM 0 HE ARG A 31 6.108 7.747 -3.932 1.00 0.00 H new ATOM 0 HH11 ARG A 31 6.566 10.936 -2.460 1.00 0.00 H new ATOM 0 HH12 ARG A 31 6.592 11.776 -4.014 1.00 0.00 H new ATOM 0 HH21 ARG A 31 6.157 8.840 -5.923 1.00 0.00 H new ATOM 0 HH22 ARG A 31 6.361 10.594 -5.965 1.00 0.00 H new ATOM 478 N PHE A 32 2.440 8.813 1.583 1.00 0.00 N ATOM 479 CA PHE A 32 1.827 7.791 2.433 1.00 0.00 C ATOM 480 C PHE A 32 2.430 6.410 2.162 1.00 0.00 C ATOM 481 O PHE A 32 2.894 6.133 1.055 1.00 0.00 O ATOM 482 CB PHE A 32 0.309 7.749 2.216 1.00 0.00 C ATOM 483 CG PHE A 32 -0.388 6.744 3.090 1.00 0.00 C ATOM 484 CD1 PHE A 32 -0.484 6.946 4.458 1.00 0.00 C ATOM 485 CD2 PHE A 32 -0.938 5.594 2.547 1.00 0.00 C ATOM 486 CE1 PHE A 32 -1.115 6.020 5.267 1.00 0.00 C ATOM 487 CE2 PHE A 32 -1.571 4.665 3.351 1.00 0.00 C ATOM 488 CZ PHE A 32 -1.659 4.878 4.713 1.00 0.00 C ATOM 0 H PHE A 32 1.827 9.176 0.853 1.00 0.00 H new ATOM 0 HA PHE A 32 2.031 8.058 3.470 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.106 8.738 2.409 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.104 7.516 1.171 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.061 7.837 4.897 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.871 5.422 1.483 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.183 6.189 6.331 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.996 3.773 2.915 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.152 4.153 5.343 1.00 0.00 H new ATOM 498 N GLN A 33 2.417 5.549 3.183 1.00 0.00 N ATOM 499 CA GLN A 33 2.963 4.196 3.059 1.00 0.00 C ATOM 500 C GLN A 33 1.939 3.139 3.477 1.00 0.00 C ATOM 501 O GLN A 33 1.215 3.316 4.458 1.00 0.00 O ATOM 502 CB GLN A 33 4.231 4.058 3.908 1.00 0.00 C ATOM 503 CG GLN A 33 4.043 4.452 5.368 1.00 0.00 C ATOM 504 CD GLN A 33 5.240 4.093 6.230 1.00 0.00 C ATOM 505 OE1 GLN A 33 5.101 3.434 7.260 1.00 0.00 O ATOM 506 NE2 GLN A 33 6.426 4.526 5.813 1.00 0.00 N ATOM 0 H GLN A 33 2.035 5.765 4.104 1.00 0.00 H new ATOM 0 HA GLN A 33 3.210 4.031 2.010 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.576 3.025 3.862 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.016 4.676 3.473 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.864 5.525 5.430 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.155 3.958 5.762 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.497 5.070 4.953 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.265 4.314 6.353 1.00 0.00 H new ATOM 515 N ILE A 34 1.892 2.034 2.725 1.00 0.00 N ATOM 516 CA ILE A 34 0.965 0.939 3.014 1.00 0.00 C ATOM 517 C ILE A 34 1.488 -0.392 2.459 1.00 0.00 C ATOM 518 O ILE A 34 2.184 -0.421 1.441 1.00 0.00 O ATOM 519 CB ILE A 34 -0.443 1.223 2.439 1.00 0.00 C ATOM 520 CG1 ILE A 34 -1.420 0.104 2.821 1.00 0.00 C ATOM 521 CG2 ILE A 34 -0.384 1.389 0.927 1.00 0.00 C ATOM 522 CD1 ILE A 34 -2.873 0.532 2.796 1.00 0.00 C ATOM 0 H ILE A 34 2.486 1.876 1.911 1.00 0.00 H new ATOM 0 HA ILE A 34 0.890 0.864 4.099 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.805 2.156 2.871 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.285 -0.734 2.137 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.173 -0.257 3.820 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.385 1.588 0.543 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.272 2.223 0.678 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.003 0.475 0.475 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.505 -0.310 3.077 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.024 1.350 3.501 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.137 0.865 1.792 1.00 0.00 H new ATOM 534 N TYR A 35 1.151 -1.490 3.140 1.00 0.00 N ATOM 535 CA TYR A 35 1.588 -2.825 2.725 1.00 0.00 C ATOM 536 C TYR A 35 0.477 -3.575 1.987 1.00 0.00 C ATOM 537 O TYR A 35 -0.711 -3.292 2.176 1.00 0.00 O ATOM 538 CB TYR A 35 2.039 -3.630 3.949 1.00 0.00 C ATOM 539 CG TYR A 35 3.175 -2.982 4.713 1.00 0.00 C ATOM 540 CD1 TYR A 35 4.424 -2.816 4.128 1.00 0.00 C ATOM 541 CD2 TYR A 35 2.995 -2.530 6.015 1.00 0.00 C ATOM 542 CE1 TYR A 35 5.462 -2.220 4.819 1.00 0.00 C ATOM 543 CE2 TYR A 35 4.028 -1.932 6.712 1.00 0.00 C ATOM 544 CZ TYR A 35 5.260 -1.779 6.109 1.00 0.00 C ATOM 545 OH TYR A 35 6.291 -1.182 6.799 1.00 0.00 O ATOM 0 H TYR A 35 0.576 -1.481 3.982 1.00 0.00 H new ATOM 0 HA TYR A 35 2.425 -2.706 2.037 1.00 0.00 H new ATOM 0 HB2 TYR A 35 1.190 -3.763 4.620 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.349 -4.624 3.626 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.587 -3.158 3.117 1.00 0.00 H new ATOM 0 HD2 TYR A 35 2.032 -2.648 6.490 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.427 -2.100 4.350 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.872 -1.586 7.723 1.00 0.00 H new ATOM 0 HH TYR A 35 5.982 -0.928 7.694 1.00 0.00 H new ATOM 555 N LEU A 36 0.871 -4.539 1.150 1.00 0.00 N ATOM 556 CA LEU A 36 -0.091 -5.337 0.386 1.00 0.00 C ATOM 557 C LEU A 36 -1.010 -6.122 1.323 1.00 0.00 C ATOM 558 O LEU A 36 -2.228 -6.127 1.144 1.00 0.00 O ATOM 559 CB LEU A 36 0.633 -6.303 -0.563 1.00 0.00 C ATOM 560 CG LEU A 36 0.883 -5.776 -1.982 1.00 0.00 C ATOM 561 CD1 LEU A 36 -0.414 -5.300 -2.624 1.00 0.00 C ATOM 562 CD2 LEU A 36 1.913 -4.656 -1.967 1.00 0.00 C ATOM 0 H LEU A 36 1.847 -4.785 0.985 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.696 -4.651 -0.207 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.592 -6.569 -0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.049 -7.221 -0.633 1.00 0.00 H new ATOM 0 HG LEU A 36 1.276 -6.598 -2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.209 -4.931 -3.629 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.119 -6.130 -2.679 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.844 -4.498 -2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.075 -4.297 -2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.550 -3.837 -1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.852 -5.031 -1.561 1.00 0.00 H new ATOM 574 N ASP A 37 -0.419 -6.779 2.325 1.00 0.00 N ATOM 575 CA ASP A 37 -1.192 -7.560 3.293 1.00 0.00 C ATOM 576 C ASP A 37 -2.188 -6.674 4.041 1.00 0.00 C ATOM 577 O ASP A 37 -3.301 -7.103 4.345 1.00 0.00 O ATOM 578 CB ASP A 37 -0.264 -8.251 4.296 1.00 0.00 C ATOM 579 CG ASP A 37 -0.738 -9.647 4.652 1.00 0.00 C ATOM 580 OD1 ASP A 37 -1.807 -9.767 5.286 1.00 0.00 O ATOM 581 OD2 ASP A 37 -0.039 -10.619 4.297 1.00 0.00 O ATOM 0 H ASP A 37 0.588 -6.785 2.486 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.745 -8.319 2.739 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.741 -8.307 3.879 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.200 -7.649 5.203 1.00 0.00 H new ATOM 586 N ASP A 38 -1.780 -5.436 4.330 1.00 0.00 N ATOM 587 CA ASP A 38 -2.639 -4.486 5.037 1.00 0.00 C ATOM 588 C ASP A 38 -3.948 -4.285 4.278 1.00 0.00 C ATOM 589 O ASP A 38 -5.030 -4.312 4.867 1.00 0.00 O ATOM 590 CB ASP A 38 -1.925 -3.139 5.203 1.00 0.00 C ATOM 591 CG ASP A 38 -1.070 -3.074 6.455 1.00 0.00 C ATOM 592 OD1 ASP A 38 -0.221 -3.972 6.645 1.00 0.00 O ATOM 593 OD2 ASP A 38 -1.245 -2.120 7.242 1.00 0.00 O ATOM 0 H ASP A 38 -0.860 -5.069 4.085 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.860 -4.894 6.023 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.297 -2.956 4.331 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.667 -2.341 5.234 1.00 0.00 H new ATOM 598 N MET A 39 -3.838 -4.092 2.965 1.00 0.00 N ATOM 599 CA MET A 39 -5.009 -3.895 2.113 1.00 0.00 C ATOM 600 C MET A 39 -5.871 -5.157 2.052 1.00 0.00 C ATOM 601 O MET A 39 -7.086 -5.075 1.863 1.00 0.00 O ATOM 602 CB MET A 39 -4.574 -3.494 0.702 1.00 0.00 C ATOM 603 CG MET A 39 -4.352 -2.000 0.533 1.00 0.00 C ATOM 604 SD MET A 39 -4.539 -1.465 -1.179 1.00 0.00 S ATOM 605 CE MET A 39 -5.406 0.086 -0.962 1.00 0.00 C ATOM 0 H MET A 39 -2.948 -4.068 2.467 1.00 0.00 H new ATOM 0 HA MET A 39 -5.608 -3.095 2.548 1.00 0.00 H new ATOM 0 HB2 MET A 39 -3.653 -4.020 0.452 1.00 0.00 H new ATOM 0 HB3 MET A 39 -5.332 -3.823 -0.009 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.060 -1.457 1.159 1.00 0.00 H new ATOM 0 HG3 MET A 39 -3.353 -1.742 0.884 1.00 0.00 H new ATOM 0 HE1 MET A 39 -5.672 0.494 -1.937 1.00 0.00 H new ATOM 0 HE2 MET A 39 -6.312 -0.082 -0.380 1.00 0.00 H new ATOM 0 HE3 MET A 39 -4.763 0.792 -0.437 1.00 0.00 H new ATOM 615 N PHE A 40 -5.240 -6.323 2.211 1.00 0.00 N ATOM 616 CA PHE A 40 -5.955 -7.599 2.175 1.00 0.00 C ATOM 617 C PHE A 40 -7.076 -7.630 3.215 1.00 0.00 C ATOM 618 O PHE A 40 -8.198 -8.036 2.914 1.00 0.00 O ATOM 619 CB PHE A 40 -4.988 -8.763 2.417 1.00 0.00 C ATOM 620 CG PHE A 40 -5.084 -9.859 1.390 1.00 0.00 C ATOM 621 CD1 PHE A 40 -5.168 -9.563 0.038 1.00 0.00 C ATOM 622 CD2 PHE A 40 -5.084 -11.188 1.781 1.00 0.00 C ATOM 623 CE1 PHE A 40 -5.249 -10.572 -0.903 1.00 0.00 C ATOM 624 CE2 PHE A 40 -5.166 -12.201 0.844 1.00 0.00 C ATOM 625 CZ PHE A 40 -5.248 -11.892 -0.500 1.00 0.00 C ATOM 0 H PHE A 40 -4.235 -6.409 2.366 1.00 0.00 H new ATOM 0 HA PHE A 40 -6.399 -7.705 1.185 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.968 -8.379 2.430 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -5.182 -9.185 3.403 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -5.170 -8.532 -0.283 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -5.019 -11.436 2.830 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.313 -10.328 -1.953 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -5.166 -13.233 1.162 1.00 0.00 H new ATOM 0 HZ PHE A 40 -5.311 -12.682 -1.234 1.00 0.00 H new ATOM 635 N GLU A 41 -6.766 -7.191 4.437 1.00 0.00 N ATOM 636 CA GLU A 41 -7.754 -7.162 5.517 1.00 0.00 C ATOM 637 C GLU A 41 -8.942 -6.274 5.148 1.00 0.00 C ATOM 638 O GLU A 41 -10.075 -6.537 5.553 1.00 0.00 O ATOM 639 CB GLU A 41 -7.116 -6.659 6.816 1.00 0.00 C ATOM 640 CG GLU A 41 -6.132 -7.638 7.438 1.00 0.00 C ATOM 641 CD GLU A 41 -5.036 -6.942 8.221 1.00 0.00 C ATOM 642 OE1 GLU A 41 -5.343 -6.357 9.282 1.00 0.00 O ATOM 643 OE2 GLU A 41 -3.871 -6.982 7.774 1.00 0.00 O ATOM 0 H GLU A 41 -5.841 -6.852 4.703 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.113 -8.180 5.667 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.601 -5.719 6.616 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.905 -6.444 7.537 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.670 -8.318 8.098 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.683 -8.245 6.652 1.00 0.00 H new ATOM 650 N GLY A 42 -8.672 -5.222 4.375 1.00 0.00 N ATOM 651 CA GLY A 42 -9.720 -4.307 3.959 1.00 0.00 C ATOM 652 C GLY A 42 -9.341 -2.854 4.174 1.00 0.00 C ATOM 653 O GLY A 42 -10.134 -2.072 4.702 1.00 0.00 O ATOM 0 H GLY A 42 -7.741 -4.988 4.029 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.942 -4.469 2.904 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.632 -4.527 4.514 1.00 0.00 H new ATOM 657 N GLU A 43 -8.125 -2.492 3.763 1.00 0.00 N ATOM 658 CA GLU A 43 -7.641 -1.124 3.914 1.00 0.00 C ATOM 659 C GLU A 43 -8.131 -0.244 2.768 1.00 0.00 C ATOM 660 O GLU A 43 -7.496 -0.162 1.714 1.00 0.00 O ATOM 661 CB GLU A 43 -6.111 -1.099 3.979 1.00 0.00 C ATOM 662 CG GLU A 43 -5.564 -0.049 4.932 1.00 0.00 C ATOM 663 CD GLU A 43 -5.560 -0.517 6.374 1.00 0.00 C ATOM 664 OE1 GLU A 43 -6.658 -0.722 6.936 1.00 0.00 O ATOM 665 OE2 GLU A 43 -4.460 -0.678 6.941 1.00 0.00 O ATOM 0 H GLU A 43 -7.460 -3.128 3.324 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.039 -0.728 4.848 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -5.752 -2.081 4.287 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.715 -0.914 2.980 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.548 0.212 4.636 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.163 0.858 4.850 1.00 0.00 H new ATOM 672 N LYS A 44 -9.266 0.414 2.987 1.00 0.00 N ATOM 673 CA LYS A 44 -9.854 1.296 1.981 1.00 0.00 C ATOM 674 C LYS A 44 -9.692 2.766 2.371 1.00 0.00 C ATOM 675 O LYS A 44 -9.548 3.629 1.505 1.00 0.00 O ATOM 676 CB LYS A 44 -11.337 0.968 1.781 1.00 0.00 C ATOM 677 CG LYS A 44 -12.189 1.206 3.018 1.00 0.00 C ATOM 678 CD LYS A 44 -13.630 0.774 2.797 1.00 0.00 C ATOM 679 CE LYS A 44 -13.739 -0.728 2.579 1.00 0.00 C ATOM 680 NZ LYS A 44 -14.977 -1.293 3.186 1.00 0.00 N ATOM 0 H LYS A 44 -9.799 0.353 3.855 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.324 1.130 1.043 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.726 1.572 0.961 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.432 -0.076 1.481 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.769 0.657 3.861 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.162 2.263 3.281 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.233 1.062 3.659 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.039 1.298 1.933 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -13.730 -0.941 1.510 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.867 -1.221 3.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.011 -2.318 3.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.974 -1.114 4.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.811 -0.842 2.758 1.00 0.00 H new ATOM 694 N VAL A 45 -9.712 3.047 3.674 1.00 0.00 N ATOM 695 CA VAL A 45 -9.562 4.414 4.160 1.00 0.00 C ATOM 696 C VAL A 45 -8.361 4.530 5.096 1.00 0.00 C ATOM 697 O VAL A 45 -8.377 4.021 6.219 1.00 0.00 O ATOM 698 CB VAL A 45 -10.840 4.915 4.873 1.00 0.00 C ATOM 699 CG1 VAL A 45 -11.197 4.031 6.061 1.00 0.00 C ATOM 700 CG2 VAL A 45 -10.676 6.367 5.305 1.00 0.00 C ATOM 0 H VAL A 45 -9.830 2.348 4.407 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.394 5.046 3.288 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.665 4.858 4.163 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -12.100 4.411 6.539 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -11.371 3.011 5.717 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.376 4.037 6.778 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.585 6.703 5.805 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.833 6.450 5.991 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -10.493 6.989 4.429 1.00 0.00 H new ATOM 710 N ALA A 46 -7.313 5.195 4.615 1.00 0.00 N ATOM 711 CA ALA A 46 -6.092 5.373 5.391 1.00 0.00 C ATOM 712 C ALA A 46 -5.916 6.823 5.837 1.00 0.00 C ATOM 713 O ALA A 46 -6.665 7.709 5.415 1.00 0.00 O ATOM 714 CB ALA A 46 -4.891 4.922 4.575 1.00 0.00 C ATOM 0 H ALA A 46 -7.287 5.620 3.688 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.170 4.760 6.289 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.982 5.058 5.161 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.002 3.869 4.316 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.827 5.516 3.663 1.00 0.00 H new ATOM 720 N VAL A 47 -4.921 7.056 6.693 1.00 0.00 N ATOM 721 CA VAL A 47 -4.641 8.395 7.202 1.00 0.00 C ATOM 722 C VAL A 47 -3.167 8.751 7.026 1.00 0.00 C ATOM 723 O VAL A 47 -2.290 8.081 7.573 1.00 0.00 O ATOM 724 CB VAL A 47 -5.016 8.519 8.696 1.00 0.00 C ATOM 725 CG1 VAL A 47 -4.931 9.969 9.155 1.00 0.00 C ATOM 726 CG2 VAL A 47 -6.408 7.955 8.950 1.00 0.00 C ATOM 0 H VAL A 47 -4.296 6.332 7.048 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.251 9.089 6.624 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.300 7.936 9.276 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.199 10.033 10.210 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.914 10.336 9.016 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.619 10.577 8.568 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.652 8.052 10.008 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.138 8.506 8.357 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.431 6.903 8.667 1.00 0.00 H new ATOM 736 N CYS A 48 -2.903 9.814 6.265 1.00 0.00 N ATOM 737 CA CYS A 48 -1.534 10.268 6.020 1.00 0.00 C ATOM 738 C CYS A 48 -0.867 10.686 7.331 1.00 0.00 C ATOM 739 O CYS A 48 -1.265 11.673 7.942 1.00 0.00 O ATOM 740 CB CYS A 48 -1.533 11.442 5.031 1.00 0.00 C ATOM 741 SG CYS A 48 0.107 12.182 4.730 1.00 0.00 S ATOM 0 H CYS A 48 -3.620 10.377 5.807 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.968 9.442 5.588 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.942 11.099 4.081 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.203 12.216 5.406 1.00 0.00 H new ATOM 746 N PRO A 49 0.151 9.933 7.791 1.00 0.00 N ATOM 747 CA PRO A 49 0.859 10.236 9.045 1.00 0.00 C ATOM 748 C PRO A 49 1.534 11.611 9.044 1.00 0.00 C ATOM 749 O PRO A 49 1.879 12.133 10.106 1.00 0.00 O ATOM 750 CB PRO A 49 1.913 9.125 9.143 1.00 0.00 C ATOM 751 CG PRO A 49 1.409 8.036 8.261 1.00 0.00 C ATOM 752 CD PRO A 49 0.684 8.725 7.142 1.00 0.00 C ATOM 0 HA PRO A 49 0.169 10.270 9.888 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.890 9.478 8.814 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.028 8.779 10.170 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.230 7.428 7.880 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.743 7.367 8.806 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.354 8.971 6.318 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.111 8.102 6.732 1.00 0.00 H new ATOM 760 N SER A 50 1.728 12.194 7.857 1.00 0.00 N ATOM 761 CA SER A 50 2.369 13.504 7.747 1.00 0.00 C ATOM 762 C SER A 50 1.404 14.631 8.122 1.00 0.00 C ATOM 763 O SER A 50 1.619 15.333 9.112 1.00 0.00 O ATOM 764 CB SER A 50 2.906 13.725 6.330 1.00 0.00 C ATOM 765 OG SER A 50 3.907 14.729 6.317 1.00 0.00 O ATOM 0 H SER A 50 1.452 11.782 6.966 1.00 0.00 H new ATOM 0 HA SER A 50 3.202 13.521 8.449 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.316 12.792 5.943 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.089 14.012 5.668 1.00 0.00 H new ATOM 0 HG SER A 50 3.564 15.527 5.864 1.00 0.00 H new ATOM 771 N CYS A 51 0.346 14.807 7.327 1.00 0.00 N ATOM 772 CA CYS A 51 -0.636 15.864 7.584 1.00 0.00 C ATOM 773 C CYS A 51 -1.804 15.372 8.445 1.00 0.00 C ATOM 774 O CYS A 51 -2.520 16.179 9.043 1.00 0.00 O ATOM 775 CB CYS A 51 -1.168 16.436 6.266 1.00 0.00 C ATOM 776 SG CYS A 51 -2.201 15.282 5.305 1.00 0.00 S ATOM 0 H CYS A 51 0.148 14.236 6.505 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.121 16.648 8.139 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -1.750 17.332 6.482 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.323 16.746 5.651 1.00 0.00 H new ATOM 781 N SER A 52 -2.000 14.054 8.500 1.00 0.00 N ATOM 782 CA SER A 52 -3.086 13.460 9.280 1.00 0.00 C ATOM 783 C SER A 52 -4.440 13.698 8.602 1.00 0.00 C ATOM 784 O SER A 52 -5.455 13.908 9.271 1.00 0.00 O ATOM 785 CB SER A 52 -3.092 14.022 10.705 1.00 0.00 C ATOM 786 OG SER A 52 -3.444 13.024 11.645 1.00 0.00 O ATOM 0 H SER A 52 -1.417 13.375 8.011 1.00 0.00 H new ATOM 0 HA SER A 52 -2.918 12.384 9.332 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.107 14.421 10.946 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.797 14.851 10.769 1.00 0.00 H new ATOM 0 HG SER A 52 -3.439 13.408 12.547 1.00 0.00 H new ATOM 792 N LEU A 53 -4.443 13.657 7.268 1.00 0.00 N ATOM 793 CA LEU A 53 -5.660 13.861 6.487 1.00 0.00 C ATOM 794 C LEU A 53 -6.310 12.521 6.137 1.00 0.00 C ATOM 795 O LEU A 53 -5.623 11.508 5.991 1.00 0.00 O ATOM 796 CB LEU A 53 -5.331 14.650 5.215 1.00 0.00 C ATOM 797 CG LEU A 53 -6.513 14.916 4.280 1.00 0.00 C ATOM 798 CD1 LEU A 53 -6.437 16.324 3.707 1.00 0.00 C ATOM 799 CD2 LEU A 53 -6.543 13.885 3.164 1.00 0.00 C ATOM 0 H LEU A 53 -3.610 13.483 6.705 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.371 14.432 7.085 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.897 15.607 5.504 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.566 14.107 4.660 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.435 14.832 4.855 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.286 16.494 3.045 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.460 17.049 4.520 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.510 16.439 3.145 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.389 14.086 2.506 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.617 13.941 2.592 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.645 12.888 3.592 1.00 0.00 H new ATOM 811 N MET A 54 -7.638 12.519 6.013 1.00 0.00 N ATOM 812 CA MET A 54 -8.378 11.299 5.692 1.00 0.00 C ATOM 813 C MET A 54 -8.598 11.161 4.183 1.00 0.00 C ATOM 814 O MET A 54 -9.063 12.095 3.525 1.00 0.00 O ATOM 815 CB MET A 54 -9.728 11.292 6.422 1.00 0.00 C ATOM 816 CG MET A 54 -9.658 10.762 7.849 1.00 0.00 C ATOM 817 SD MET A 54 -11.262 10.783 8.678 1.00 0.00 S ATOM 818 CE MET A 54 -10.882 9.915 10.200 1.00 0.00 C ATOM 0 H MET A 54 -8.222 13.347 6.130 1.00 0.00 H new ATOM 0 HA MET A 54 -7.783 10.449 6.026 1.00 0.00 H new ATOM 0 HB2 MET A 54 -10.124 12.307 6.441 1.00 0.00 H new ATOM 0 HB3 MET A 54 -10.433 10.685 5.854 1.00 0.00 H new ATOM 0 HG2 MET A 54 -9.274 9.742 7.835 1.00 0.00 H new ATOM 0 HG3 MET A 54 -8.950 11.362 8.421 1.00 0.00 H new ATOM 0 HE1 MET A 54 -11.665 10.106 10.933 1.00 0.00 H new ATOM 0 HE2 MET A 54 -10.823 8.845 10.003 1.00 0.00 H new ATOM 0 HE3 MET A 54 -9.927 10.266 10.590 1.00 0.00 H new ATOM 828 N ILE A 55 -8.261 9.984 3.645 1.00 0.00 N ATOM 829 CA ILE A 55 -8.422 9.710 2.214 1.00 0.00 C ATOM 830 C ILE A 55 -8.977 8.306 1.972 1.00 0.00 C ATOM 831 O ILE A 55 -8.757 7.396 2.773 1.00 0.00 O ATOM 832 CB ILE A 55 -7.084 9.838 1.448 1.00 0.00 C ATOM 833 CG1 ILE A 55 -5.990 8.990 2.112 1.00 0.00 C ATOM 834 CG2 ILE A 55 -6.653 11.294 1.352 1.00 0.00 C ATOM 835 CD1 ILE A 55 -5.853 7.606 1.512 1.00 0.00 C ATOM 0 H ILE A 55 -7.875 9.206 4.180 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.125 10.456 1.843 1.00 0.00 H new ATOM 0 HB ILE A 55 -7.237 9.461 0.437 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.036 9.510 2.027 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.209 8.897 3.176 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.710 11.359 0.809 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -7.416 11.865 0.823 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.524 11.702 2.354 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.062 7.062 2.029 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.795 7.068 1.620 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.603 7.691 0.454 1.00 0.00 H new ATOM 847 N ASP A 56 -9.680 8.135 0.851 1.00 0.00 N ATOM 848 CA ASP A 56 -10.250 6.837 0.488 1.00 0.00 C ATOM 849 C ASP A 56 -9.497 6.230 -0.692 1.00 0.00 C ATOM 850 O ASP A 56 -9.628 6.692 -1.825 1.00 0.00 O ATOM 851 CB ASP A 56 -11.733 6.970 0.124 1.00 0.00 C ATOM 852 CG ASP A 56 -12.607 7.406 1.288 1.00 0.00 C ATOM 853 OD1 ASP A 56 -12.068 7.649 2.391 1.00 0.00 O ATOM 854 OD2 ASP A 56 -13.838 7.499 1.097 1.00 0.00 O ATOM 0 H ASP A 56 -9.868 8.879 0.179 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.154 6.183 1.355 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.836 7.691 -0.687 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.094 6.013 -0.252 1.00 0.00 H new ATOM 859 N VAL A 57 -8.712 5.195 -0.419 1.00 0.00 N ATOM 860 CA VAL A 57 -7.943 4.526 -1.462 1.00 0.00 C ATOM 861 C VAL A 57 -8.643 3.250 -1.926 1.00 0.00 C ATOM 862 O VAL A 57 -8.971 2.378 -1.120 1.00 0.00 O ATOM 863 CB VAL A 57 -6.510 4.191 -0.988 1.00 0.00 C ATOM 864 CG1 VAL A 57 -6.535 3.206 0.174 1.00 0.00 C ATOM 865 CG2 VAL A 57 -5.672 3.651 -2.144 1.00 0.00 C ATOM 0 H VAL A 57 -8.591 4.801 0.514 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.874 5.219 -2.301 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.047 5.112 -0.634 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.514 2.988 0.488 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.086 3.641 1.008 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.023 2.284 -0.141 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.667 3.422 -1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.134 2.745 -2.536 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.616 4.400 -2.934 1.00 0.00 H new ATOM 875 N VAL A 58 -8.872 3.150 -3.233 1.00 0.00 N ATOM 876 CA VAL A 58 -9.535 1.984 -3.806 1.00 0.00 C ATOM 877 C VAL A 58 -8.516 0.946 -4.281 1.00 0.00 C ATOM 878 O VAL A 58 -7.448 1.295 -4.791 1.00 0.00 O ATOM 879 CB VAL A 58 -10.470 2.390 -4.966 1.00 0.00 C ATOM 880 CG1 VAL A 58 -9.688 3.017 -6.111 1.00 0.00 C ATOM 881 CG2 VAL A 58 -11.283 1.198 -5.454 1.00 0.00 C ATOM 0 H VAL A 58 -8.608 3.862 -3.914 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.140 1.533 -3.020 1.00 0.00 H new ATOM 0 HB VAL A 58 -11.163 3.140 -4.585 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.374 3.292 -6.912 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -9.171 3.908 -5.754 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.958 2.301 -6.488 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -11.933 1.511 -6.271 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.609 0.417 -5.806 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -11.890 0.812 -4.635 1.00 0.00 H new ATOM 891 N PHE A 59 -8.849 -0.333 -4.095 1.00 0.00 N ATOM 892 CA PHE A 59 -7.960 -1.427 -4.491 1.00 0.00 C ATOM 893 C PHE A 59 -8.703 -2.492 -5.305 1.00 0.00 C ATOM 894 O PHE A 59 -9.875 -2.778 -5.051 1.00 0.00 O ATOM 895 CB PHE A 59 -7.309 -2.062 -3.251 1.00 0.00 C ATOM 896 CG PHE A 59 -8.258 -2.299 -2.103 1.00 0.00 C ATOM 897 CD1 PHE A 59 -8.710 -1.242 -1.326 1.00 0.00 C ATOM 898 CD2 PHE A 59 -8.692 -3.580 -1.798 1.00 0.00 C ATOM 899 CE1 PHE A 59 -9.577 -1.459 -0.272 1.00 0.00 C ATOM 900 CE2 PHE A 59 -9.558 -3.802 -0.744 1.00 0.00 C ATOM 901 CZ PHE A 59 -10.002 -2.740 0.020 1.00 0.00 C ATOM 0 H PHE A 59 -9.727 -0.636 -3.673 1.00 0.00 H new ATOM 0 HA PHE A 59 -7.181 -1.007 -5.127 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.860 -3.013 -3.538 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.499 -1.417 -2.910 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.380 -0.238 -1.548 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -8.349 -4.415 -2.391 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -9.922 -0.627 0.323 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -9.888 -4.805 -0.518 1.00 0.00 H new ATOM 0 HZ PHE A 59 -10.680 -2.911 0.843 1.00 0.00 H new ATOM 911 N ASP A 60 -8.004 -3.074 -6.285 1.00 0.00 N ATOM 912 CA ASP A 60 -8.581 -4.112 -7.152 1.00 0.00 C ATOM 913 C ASP A 60 -8.260 -5.524 -6.650 1.00 0.00 C ATOM 914 O ASP A 60 -8.966 -6.477 -6.984 1.00 0.00 O ATOM 915 CB ASP A 60 -8.070 -3.963 -8.593 1.00 0.00 C ATOM 916 CG ASP A 60 -6.586 -3.653 -8.669 1.00 0.00 C ATOM 917 OD1 ASP A 60 -5.779 -4.494 -8.214 1.00 0.00 O ATOM 918 OD2 ASP A 60 -6.230 -2.571 -9.183 1.00 0.00 O ATOM 0 H ASP A 60 -7.034 -2.844 -6.500 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.662 -3.975 -7.128 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.271 -4.884 -9.141 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.627 -3.168 -9.089 1.00 0.00 H new ATOM 923 N LYS A 61 -7.191 -5.657 -5.859 1.00 0.00 N ATOM 924 CA LYS A 61 -6.778 -6.958 -5.324 1.00 0.00 C ATOM 925 C LYS A 61 -6.318 -7.903 -6.442 1.00 0.00 C ATOM 926 O LYS A 61 -6.403 -9.127 -6.305 1.00 0.00 O ATOM 927 CB LYS A 61 -7.922 -7.606 -4.534 1.00 0.00 C ATOM 928 CG LYS A 61 -8.596 -6.669 -3.543 1.00 0.00 C ATOM 929 CD LYS A 61 -10.051 -7.050 -3.323 1.00 0.00 C ATOM 930 CE LYS A 61 -10.463 -6.863 -1.871 1.00 0.00 C ATOM 931 NZ LYS A 61 -11.267 -8.011 -1.368 1.00 0.00 N ATOM 0 H LYS A 61 -6.596 -4.879 -5.575 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.936 -6.783 -4.655 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.670 -7.976 -5.235 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.534 -8.471 -3.995 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.063 -6.697 -2.593 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.538 -5.645 -3.911 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.688 -6.441 -3.964 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.204 -8.089 -3.615 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.572 -6.746 -1.254 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.042 -5.944 -1.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.527 -7.844 -0.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.130 -8.108 -1.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.706 -8.884 -1.437 1.00 0.00 H new ATOM 945 N GLU A 62 -5.820 -7.331 -7.538 1.00 0.00 N ATOM 946 CA GLU A 62 -5.337 -8.121 -8.669 1.00 0.00 C ATOM 947 C GLU A 62 -3.826 -8.319 -8.564 1.00 0.00 C ATOM 948 O GLU A 62 -3.325 -9.441 -8.670 1.00 0.00 O ATOM 949 CB GLU A 62 -5.690 -7.428 -9.991 1.00 0.00 C ATOM 950 CG GLU A 62 -5.905 -8.390 -11.150 1.00 0.00 C ATOM 951 CD GLU A 62 -6.167 -7.674 -12.462 1.00 0.00 C ATOM 952 OE1 GLU A 62 -5.191 -7.227 -13.101 1.00 0.00 O ATOM 953 OE2 GLU A 62 -7.349 -7.561 -12.851 1.00 0.00 O ATOM 0 H GLU A 62 -5.741 -6.322 -7.666 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.822 -9.097 -8.647 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.594 -6.836 -9.850 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.891 -6.733 -10.251 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.027 -9.026 -11.257 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.747 -9.044 -10.923 1.00 0.00 H new ATOM 960 N ASP A 63 -3.111 -7.215 -8.343 1.00 0.00 N ATOM 961 CA ASP A 63 -1.655 -7.241 -8.209 1.00 0.00 C ATOM 962 C ASP A 63 -1.231 -7.993 -6.947 1.00 0.00 C ATOM 963 O ASP A 63 -0.190 -8.646 -6.931 1.00 0.00 O ATOM 964 CB ASP A 63 -1.100 -5.813 -8.163 1.00 0.00 C ATOM 965 CG ASP A 63 -1.461 -5.004 -9.395 1.00 0.00 C ATOM 966 OD1 ASP A 63 -2.607 -4.510 -9.464 1.00 0.00 O ATOM 967 OD2 ASP A 63 -0.598 -4.863 -10.285 1.00 0.00 O ATOM 0 H ASP A 63 -3.521 -6.285 -8.253 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.250 -7.761 -9.077 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.483 -5.307 -7.276 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.015 -5.852 -8.064 1.00 0.00 H new ATOM 972 N LEU A 64 -2.039 -7.891 -5.888 1.00 0.00 N ATOM 973 CA LEU A 64 -1.733 -8.562 -4.623 1.00 0.00 C ATOM 974 C LEU A 64 -1.467 -10.054 -4.830 1.00 0.00 C ATOM 975 O LEU A 64 -0.637 -10.640 -4.136 1.00 0.00 O ATOM 976 CB LEU A 64 -2.870 -8.373 -3.616 1.00 0.00 C ATOM 977 CG LEU A 64 -2.417 -8.030 -2.196 1.00 0.00 C ATOM 978 CD1 LEU A 64 -3.415 -7.097 -1.530 1.00 0.00 C ATOM 979 CD2 LEU A 64 -2.224 -9.298 -1.373 1.00 0.00 C ATOM 0 H LEU A 64 -2.906 -7.353 -5.882 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.827 -8.104 -4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.526 -7.580 -3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.463 -9.287 -3.583 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.457 -7.516 -2.254 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.077 -6.863 -0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.494 -6.176 -2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.390 -7.581 -1.483 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.902 -9.033 -0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.166 -9.844 -1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.466 -9.925 -1.843 1.00 0.00 H new ATOM 991 N ALA A 65 -2.174 -10.661 -5.783 1.00 0.00 N ATOM 992 CA ALA A 65 -2.009 -12.083 -6.074 1.00 0.00 C ATOM 993 C ALA A 65 -0.873 -12.325 -7.071 1.00 0.00 C ATOM 994 O ALA A 65 -0.015 -13.180 -6.846 1.00 0.00 O ATOM 995 CB ALA A 65 -3.313 -12.672 -6.596 1.00 0.00 C ATOM 0 H ALA A 65 -2.866 -10.190 -6.366 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.743 -12.585 -5.144 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.174 -13.732 -6.808 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.093 -12.552 -5.844 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.606 -12.154 -7.509 1.00 0.00 H new ATOM 1001 N GLU A 66 -0.875 -11.574 -8.173 1.00 0.00 N ATOM 1002 CA GLU A 66 0.157 -11.719 -9.204 1.00 0.00 C ATOM 1003 C GLU A 66 1.531 -11.306 -8.675 1.00 0.00 C ATOM 1004 O GLU A 66 2.488 -12.079 -8.741 1.00 0.00 O ATOM 1005 CB GLU A 66 -0.203 -10.887 -10.439 1.00 0.00 C ATOM 1006 CG GLU A 66 -1.498 -11.320 -11.111 1.00 0.00 C ATOM 1007 CD GLU A 66 -1.576 -10.892 -12.564 1.00 0.00 C ATOM 1008 OE1 GLU A 66 -1.683 -9.675 -12.821 1.00 0.00 O ATOM 1009 OE2 GLU A 66 -1.531 -11.776 -13.446 1.00 0.00 O ATOM 0 H GLU A 66 -1.576 -10.861 -8.376 1.00 0.00 H new ATOM 0 HA GLU A 66 0.204 -12.771 -9.484 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.287 -9.840 -10.149 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.611 -10.954 -11.161 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.589 -12.405 -11.051 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.343 -10.899 -10.567 1.00 0.00 H new ATOM 1016 N TYR A 67 1.615 -10.089 -8.139 1.00 0.00 N ATOM 1017 CA TYR A 67 2.865 -9.570 -7.583 1.00 0.00 C ATOM 1018 C TYR A 67 3.376 -10.455 -6.440 1.00 0.00 C ATOM 1019 O TYR A 67 4.570 -10.459 -6.144 1.00 0.00 O ATOM 1020 CB TYR A 67 2.662 -8.136 -7.079 1.00 0.00 C ATOM 1021 CG TYR A 67 3.873 -7.239 -7.234 1.00 0.00 C ATOM 1022 CD1 TYR A 67 4.821 -7.139 -6.223 1.00 0.00 C ATOM 1023 CD2 TYR A 67 4.060 -6.480 -8.383 1.00 0.00 C ATOM 1024 CE1 TYR A 67 5.919 -6.309 -6.351 1.00 0.00 C ATOM 1025 CE2 TYR A 67 5.158 -5.650 -8.521 1.00 0.00 C ATOM 1026 CZ TYR A 67 6.084 -5.567 -7.502 1.00 0.00 C ATOM 1027 OH TYR A 67 7.176 -4.738 -7.632 1.00 0.00 O ATOM 0 H TYR A 67 0.829 -9.442 -8.078 1.00 0.00 H new ATOM 0 HA TYR A 67 3.612 -9.574 -8.377 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.824 -7.691 -7.616 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.383 -8.170 -6.026 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.698 -7.720 -5.321 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.336 -6.539 -9.182 1.00 0.00 H new ATOM 0 HE1 TYR A 67 6.644 -6.242 -5.554 1.00 0.00 H new ATOM 0 HE2 TYR A 67 5.290 -5.070 -9.422 1.00 0.00 H new ATOM 0 HH TYR A 67 7.143 -4.288 -8.502 1.00 0.00 H new ATOM 1037 N TYR A 68 2.469 -11.203 -5.803 1.00 0.00 N ATOM 1038 CA TYR A 68 2.844 -12.088 -4.699 1.00 0.00 C ATOM 1039 C TYR A 68 3.908 -13.091 -5.140 1.00 0.00 C ATOM 1040 O TYR A 68 4.974 -13.185 -4.530 1.00 0.00 O ATOM 1041 CB TYR A 68 1.615 -12.833 -4.166 1.00 0.00 C ATOM 1042 CG TYR A 68 1.576 -12.959 -2.657 1.00 0.00 C ATOM 1043 CD1 TYR A 68 1.555 -11.832 -1.843 1.00 0.00 C ATOM 1044 CD2 TYR A 68 1.555 -14.208 -2.046 1.00 0.00 C ATOM 1045 CE1 TYR A 68 1.515 -11.946 -0.466 1.00 0.00 C ATOM 1046 CE2 TYR A 68 1.515 -14.329 -0.669 1.00 0.00 C ATOM 1047 CZ TYR A 68 1.495 -13.196 0.116 1.00 0.00 C ATOM 1048 OH TYR A 68 1.454 -13.316 1.488 1.00 0.00 O ATOM 0 H TYR A 68 1.475 -11.212 -6.033 1.00 0.00 H new ATOM 0 HA TYR A 68 3.258 -11.471 -3.902 1.00 0.00 H new ATOM 0 HB2 TYR A 68 0.716 -12.315 -4.500 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.590 -13.831 -4.604 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.570 -10.851 -2.294 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.570 -15.098 -2.657 1.00 0.00 H new ATOM 0 HE1 TYR A 68 1.499 -11.060 0.151 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.499 -15.307 -0.211 1.00 0.00 H new ATOM 0 HH TYR A 68 1.443 -14.265 1.733 1.00 0.00 H new ATOM 1058 N GLU A 69 3.612 -13.833 -6.206 1.00 0.00 N ATOM 1059 CA GLU A 69 4.544 -14.827 -6.735 1.00 0.00 C ATOM 1060 C GLU A 69 5.619 -14.160 -7.590 1.00 0.00 C ATOM 1061 O GLU A 69 6.775 -14.587 -7.592 1.00 0.00 O ATOM 1062 CB GLU A 69 3.797 -15.881 -7.560 1.00 0.00 C ATOM 1063 CG GLU A 69 2.558 -16.439 -6.870 1.00 0.00 C ATOM 1064 CD GLU A 69 1.821 -17.464 -7.713 1.00 0.00 C ATOM 1065 OE1 GLU A 69 1.528 -17.169 -8.892 1.00 0.00 O ATOM 1066 OE2 GLU A 69 1.531 -18.563 -7.193 1.00 0.00 O ATOM 0 H GLU A 69 2.734 -13.764 -6.720 1.00 0.00 H new ATOM 0 HA GLU A 69 5.027 -15.319 -5.891 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.503 -15.441 -8.513 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.477 -16.703 -7.784 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.850 -16.896 -5.925 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.881 -15.619 -6.631 1.00 0.00 H new ATOM 1073 N GLU A 70 5.231 -13.110 -8.314 1.00 0.00 N ATOM 1074 CA GLU A 70 6.160 -12.380 -9.172 1.00 0.00 C ATOM 1075 C GLU A 70 7.277 -11.734 -8.353 1.00 0.00 C ATOM 1076 O GLU A 70 8.426 -11.684 -8.795 1.00 0.00 O ATOM 1077 CB GLU A 70 5.419 -11.307 -9.973 1.00 0.00 C ATOM 1078 CG GLU A 70 4.807 -11.826 -11.264 1.00 0.00 C ATOM 1079 CD GLU A 70 4.003 -10.767 -11.992 1.00 0.00 C ATOM 1080 OE1 GLU A 70 2.907 -10.414 -11.507 1.00 0.00 O ATOM 1081 OE2 GLU A 70 4.470 -10.289 -13.047 1.00 0.00 O ATOM 0 H GLU A 70 4.278 -12.747 -8.322 1.00 0.00 H new ATOM 0 HA GLU A 70 6.607 -13.096 -9.861 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.631 -10.882 -9.352 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.111 -10.498 -10.208 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.600 -12.189 -11.918 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.163 -12.677 -11.041 1.00 0.00 H new ATOM 1088 N ALA A 71 6.938 -11.237 -7.162 1.00 0.00 N ATOM 1089 CA ALA A 71 7.923 -10.597 -6.297 1.00 0.00 C ATOM 1090 C ALA A 71 8.550 -11.599 -5.333 1.00 0.00 C ATOM 1091 O ALA A 71 7.959 -12.638 -5.026 1.00 0.00 O ATOM 1092 CB ALA A 71 7.289 -9.447 -5.529 1.00 0.00 C ATOM 0 H ALA A 71 5.993 -11.266 -6.778 1.00 0.00 H new ATOM 0 HA ALA A 71 8.716 -10.201 -6.931 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.038 -8.981 -4.889 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.903 -8.709 -6.232 1.00 0.00 H new ATOM 0 HB3 ALA A 71 6.472 -9.826 -4.915 1.00 0.00 H new ATOM 1098 N GLY A 72 9.750 -11.273 -4.855 1.00 0.00 N ATOM 1099 CA GLY A 72 10.449 -12.141 -3.926 1.00 0.00 C ATOM 1100 C GLY A 72 10.535 -11.543 -2.536 1.00 0.00 C ATOM 1101 O GLY A 72 11.603 -11.533 -1.924 1.00 0.00 O ATOM 0 H GLY A 72 10.251 -10.418 -5.097 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.938 -13.102 -3.875 1.00 0.00 H new ATOM 0 HA3 GLY A 72 11.455 -12.334 -4.299 1.00 0.00 H new ATOM 1105 N ILE A 73 9.405 -11.041 -2.040 1.00 0.00 N ATOM 1106 CA ILE A 73 9.352 -10.434 -0.713 1.00 0.00 C ATOM 1107 C ILE A 73 9.445 -11.490 0.391 1.00 0.00 C ATOM 1108 O ILE A 73 9.932 -11.204 1.486 1.00 0.00 O ATOM 1109 CB ILE A 73 8.068 -9.593 -0.520 1.00 0.00 C ATOM 1110 CG1 ILE A 73 6.813 -10.465 -0.655 1.00 0.00 C ATOM 1111 CG2 ILE A 73 8.032 -8.448 -1.522 1.00 0.00 C ATOM 1112 CD1 ILE A 73 6.418 -11.159 0.630 1.00 0.00 C ATOM 0 H ILE A 73 8.515 -11.043 -2.538 1.00 0.00 H new ATOM 0 HA ILE A 73 10.215 -9.772 -0.639 1.00 0.00 H new ATOM 0 HB ILE A 73 8.082 -9.177 0.487 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.983 -9.844 -0.993 1.00 0.00 H new ATOM 0 HG13 ILE A 73 6.984 -11.216 -1.426 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.123 -7.864 -1.375 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.902 -7.808 -1.375 1.00 0.00 H new ATOM 0 HG23 ILE A 73 8.045 -8.850 -2.535 1.00 0.00 H new ATOM 0 HD11 ILE A 73 5.523 -11.758 0.460 1.00 0.00 H new ATOM 0 HD12 ILE A 73 7.231 -11.807 0.958 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.215 -10.413 1.399 1.00 0.00 H new ATOM 1124 N HIS A 74 8.980 -12.709 0.099 1.00 0.00 N ATOM 1125 CA HIS A 74 9.018 -13.799 1.073 1.00 0.00 C ATOM 1126 C HIS A 74 10.447 -14.049 1.563 1.00 0.00 C ATOM 1127 O HIS A 74 10.723 -13.923 2.756 1.00 0.00 O ATOM 1128 CB HIS A 74 8.427 -15.083 0.477 1.00 0.00 C ATOM 1129 CG HIS A 74 6.948 -15.219 0.688 1.00 0.00 C ATOM 1130 ND1 HIS A 74 6.068 -15.559 -0.320 1.00 0.00 N ATOM 1131 CD2 HIS A 74 6.193 -15.059 1.803 1.00 0.00 C ATOM 1132 CE1 HIS A 74 4.839 -15.601 0.166 1.00 0.00 C ATOM 1133 NE2 HIS A 74 4.888 -15.303 1.451 1.00 0.00 N ATOM 0 H HIS A 74 8.575 -12.963 -0.802 1.00 0.00 H new ATOM 0 HA HIS A 74 8.410 -13.502 1.928 1.00 0.00 H new ATOM 0 HB2 HIS A 74 8.636 -15.107 -0.592 1.00 0.00 H new ATOM 0 HB3 HIS A 74 8.929 -15.943 0.919 1.00 0.00 H new ATOM 0 HD2 HIS A 74 6.551 -14.790 2.786 1.00 0.00 H new ATOM 0 HE1 HIS A 74 3.946 -15.839 -0.394 1.00 0.00 H new ATOM 0 HE2 HIS A 74 4.087 -15.261 2.081 1.00 0.00 H new ATOM 1142 N PRO A 75 11.381 -14.399 0.652 1.00 0.00 N ATOM 1143 CA PRO A 75 12.782 -14.654 1.017 1.00 0.00 C ATOM 1144 C PRO A 75 13.532 -13.367 1.375 1.00 0.00 C ATOM 1145 O PRO A 75 13.812 -12.541 0.502 1.00 0.00 O ATOM 1146 CB PRO A 75 13.367 -15.285 -0.249 1.00 0.00 C ATOM 1147 CG PRO A 75 12.539 -14.739 -1.359 1.00 0.00 C ATOM 1148 CD PRO A 75 11.153 -14.569 -0.798 1.00 0.00 C ATOM 0 HA PRO A 75 12.867 -15.286 1.901 1.00 0.00 H new ATOM 0 HB2 PRO A 75 14.418 -15.023 -0.373 1.00 0.00 H new ATOM 0 HB3 PRO A 75 13.312 -16.373 -0.211 1.00 0.00 H new ATOM 0 HG2 PRO A 75 12.937 -13.787 -1.711 1.00 0.00 H new ATOM 0 HG3 PRO A 75 12.534 -15.417 -2.212 1.00 0.00 H new ATOM 0 HD2 PRO A 75 10.650 -13.703 -1.229 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.527 -15.437 -1.006 1.00 0.00 H new ATOM 1156 N PRO A 76 13.862 -13.174 2.670 1.00 0.00 N ATOM 1157 CA PRO A 76 14.574 -11.975 3.137 1.00 0.00 C ATOM 1158 C PRO A 76 15.959 -11.827 2.501 1.00 0.00 C ATOM 1159 O PRO A 76 16.185 -10.916 1.702 1.00 0.00 O ATOM 1160 CB PRO A 76 14.689 -12.180 4.655 1.00 0.00 C ATOM 1161 CG PRO A 76 14.467 -13.638 4.878 1.00 0.00 C ATOM 1162 CD PRO A 76 13.558 -14.101 3.775 1.00 0.00 C ATOM 0 HA PRO A 76 14.044 -11.063 2.864 1.00 0.00 H new ATOM 0 HB2 PRO A 76 15.669 -11.872 5.019 1.00 0.00 H new ATOM 0 HB3 PRO A 76 13.949 -11.584 5.189 1.00 0.00 H new ATOM 0 HG2 PRO A 76 15.411 -14.182 4.858 1.00 0.00 H new ATOM 0 HG3 PRO A 76 14.016 -13.818 5.854 1.00 0.00 H new ATOM 0 HD2 PRO A 76 13.758 -15.136 3.498 1.00 0.00 H new ATOM 0 HD3 PRO A 76 12.510 -14.046 4.069 1.00 0.00 H new ATOM 1170 N GLU A 77 16.879 -12.728 2.854 1.00 0.00 N ATOM 1171 CA GLU A 77 18.241 -12.704 2.316 1.00 0.00 C ATOM 1172 C GLU A 77 19.061 -13.863 2.884 1.00 0.00 C ATOM 1173 O GLU A 77 18.748 -14.382 3.957 1.00 0.00 O ATOM 1174 CB GLU A 77 18.933 -11.365 2.616 1.00 0.00 C ATOM 1175 CG GLU A 77 18.732 -10.861 4.041 1.00 0.00 C ATOM 1176 CD GLU A 77 19.825 -9.906 4.499 1.00 0.00 C ATOM 1177 OE1 GLU A 77 20.467 -9.268 3.637 1.00 0.00 O ATOM 1178 OE2 GLU A 77 20.035 -9.794 5.725 1.00 0.00 O ATOM 0 H GLU A 77 16.704 -13.486 3.513 1.00 0.00 H new ATOM 0 HA GLU A 77 18.175 -12.816 1.234 1.00 0.00 H new ATOM 0 HB2 GLU A 77 20.001 -11.471 2.428 1.00 0.00 H new ATOM 0 HB3 GLU A 77 18.560 -10.613 1.921 1.00 0.00 H new ATOM 0 HG2 GLU A 77 17.767 -10.358 4.109 1.00 0.00 H new ATOM 0 HG3 GLU A 77 18.696 -11.713 4.719 1.00 0.00 H new ATOM 1185 N PRO A 78 20.121 -14.288 2.163 1.00 0.00 N ATOM 1186 CA PRO A 78 20.989 -15.398 2.593 1.00 0.00 C ATOM 1187 C PRO A 78 21.619 -15.153 3.967 1.00 0.00 C ATOM 1188 O PRO A 78 22.744 -14.658 4.067 1.00 0.00 O ATOM 1189 CB PRO A 78 22.069 -15.455 1.504 1.00 0.00 C ATOM 1190 CG PRO A 78 21.455 -14.795 0.319 1.00 0.00 C ATOM 1191 CD PRO A 78 20.553 -13.728 0.869 1.00 0.00 C ATOM 0 HA PRO A 78 20.431 -16.328 2.703 1.00 0.00 H new ATOM 0 HB2 PRO A 78 22.975 -14.937 1.819 1.00 0.00 H new ATOM 0 HB3 PRO A 78 22.351 -16.484 1.281 1.00 0.00 H new ATOM 0 HG2 PRO A 78 22.219 -14.366 -0.329 1.00 0.00 H new ATOM 0 HG3 PRO A 78 20.893 -15.511 -0.281 1.00 0.00 H new ATOM 0 HD2 PRO A 78 21.079 -12.782 0.995 1.00 0.00 H new ATOM 0 HD3 PRO A 78 19.706 -13.537 0.210 1.00 0.00 H new ATOM 1199 N ILE A 79 20.881 -15.502 5.023 1.00 0.00 N ATOM 1200 CA ILE A 79 21.354 -15.319 6.395 1.00 0.00 C ATOM 1201 C ILE A 79 21.081 -16.560 7.242 1.00 0.00 C ATOM 1202 O ILE A 79 19.936 -17.001 7.361 1.00 0.00 O ATOM 1203 CB ILE A 79 20.682 -14.105 7.075 1.00 0.00 C ATOM 1204 CG1 ILE A 79 20.769 -12.863 6.182 1.00 0.00 C ATOM 1205 CG2 ILE A 79 21.322 -13.835 8.432 1.00 0.00 C ATOM 1206 CD1 ILE A 79 22.181 -12.361 5.973 1.00 0.00 C ATOM 0 H ILE A 79 19.951 -15.914 4.953 1.00 0.00 H new ATOM 0 HA ILE A 79 22.428 -15.145 6.330 1.00 0.00 H new ATOM 0 HB ILE A 79 19.628 -14.339 7.228 1.00 0.00 H new ATOM 0 HG12 ILE A 79 20.327 -13.092 5.212 1.00 0.00 H new ATOM 0 HG13 ILE A 79 20.171 -12.066 6.624 1.00 0.00 H new ATOM 0 HG21 ILE A 79 20.838 -12.977 8.898 1.00 0.00 H new ATOM 0 HG22 ILE A 79 21.203 -14.710 9.071 1.00 0.00 H new ATOM 0 HG23 ILE A 79 22.383 -13.624 8.298 1.00 0.00 H new ATOM 0 HD11 ILE A 79 22.163 -11.480 5.331 1.00 0.00 H new ATOM 0 HD12 ILE A 79 22.620 -12.099 6.936 1.00 0.00 H new ATOM 0 HD13 ILE A 79 22.779 -13.141 5.502 1.00 0.00 H new ATOM 1218 N ALA A 80 22.138 -17.112 7.836 1.00 0.00 N ATOM 1219 CA ALA A 80 22.013 -18.297 8.683 1.00 0.00 C ATOM 1220 C ALA A 80 22.485 -18.016 10.109 1.00 0.00 C ATOM 1221 O ALA A 80 21.852 -18.446 11.074 1.00 0.00 O ATOM 1222 CB ALA A 80 22.797 -19.461 8.094 1.00 0.00 C ATOM 0 H ALA A 80 23.090 -16.758 7.746 1.00 0.00 H new ATOM 0 HA ALA A 80 20.957 -18.564 8.722 1.00 0.00 H new ATOM 0 HB1 ALA A 80 22.692 -20.334 8.738 1.00 0.00 H new ATOM 0 HB2 ALA A 80 22.411 -19.694 7.102 1.00 0.00 H new ATOM 0 HB3 ALA A 80 23.850 -19.190 8.020 1.00 0.00 H new ATOM 1228 N ALA A 81 23.606 -17.302 10.234 1.00 0.00 N ATOM 1229 CA ALA A 81 24.171 -16.974 11.543 1.00 0.00 C ATOM 1230 C ALA A 81 23.203 -16.143 12.385 1.00 0.00 C ATOM 1231 O ALA A 81 22.901 -16.500 13.524 1.00 0.00 O ATOM 1232 CB ALA A 81 25.496 -16.240 11.382 1.00 0.00 C ATOM 0 H ALA A 81 24.140 -16.940 9.444 1.00 0.00 H new ATOM 0 HA ALA A 81 24.346 -17.912 12.069 1.00 0.00 H new ATOM 0 HB1 ALA A 81 25.903 -16.003 12.365 1.00 0.00 H new ATOM 0 HB2 ALA A 81 26.199 -16.873 10.841 1.00 0.00 H new ATOM 0 HB3 ALA A 81 25.335 -15.317 10.824 1.00 0.00 H new ATOM 1238 N ALA A 82 22.725 -15.033 11.822 1.00 0.00 N ATOM 1239 CA ALA A 82 21.796 -14.158 12.531 1.00 0.00 C ATOM 1240 C ALA A 82 20.441 -14.835 12.720 1.00 0.00 C ATOM 1241 O ALA A 82 19.630 -14.894 11.794 1.00 0.00 O ATOM 1242 CB ALA A 82 21.635 -12.836 11.793 1.00 0.00 C ATOM 0 H ALA A 82 22.965 -14.721 10.881 1.00 0.00 H new ATOM 0 HA ALA A 82 22.212 -13.955 13.518 1.00 0.00 H new ATOM 0 HB1 ALA A 82 20.939 -12.198 12.337 1.00 0.00 H new ATOM 0 HB2 ALA A 82 22.603 -12.339 11.721 1.00 0.00 H new ATOM 0 HB3 ALA A 82 21.248 -13.023 10.791 1.00 0.00 H new ATOM 1248 N ALA A 83 20.207 -15.345 13.926 1.00 0.00 N ATOM 1249 CA ALA A 83 18.955 -16.022 14.246 1.00 0.00 C ATOM 1250 C ALA A 83 17.931 -15.043 14.814 1.00 0.00 C ATOM 1251 O ALA A 83 17.595 -14.043 14.179 1.00 0.00 O ATOM 1252 CB ALA A 83 19.206 -17.157 15.229 1.00 0.00 C ATOM 0 H ALA A 83 20.871 -15.302 14.699 1.00 0.00 H new ATOM 0 HA ALA A 83 18.548 -16.438 13.324 1.00 0.00 H new ATOM 0 HB1 ALA A 83 18.264 -17.654 15.459 1.00 0.00 H new ATOM 0 HB2 ALA A 83 19.896 -17.875 14.787 1.00 0.00 H new ATOM 0 HB3 ALA A 83 19.638 -16.756 16.146 1.00 0.00 H new TER 1258 ALA A 83 HETATM 1259 ZN ZN A 84 -0.645 14.263 3.778 1.00 0.00 ZN