USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 531 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 39 TYR OH : rot 16:sc= -1.41! USER MOD Set 1.2: A 49 ASN : amide:sc= -5.69! C(o=-7.1!,f=-11!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 CYS SG : rot 180:sc= -0.0356 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= -0.344 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -152:sc= 0.986 (180deg=-0.11) USER MOD Single : A 35 CYS SG : rot 133:sc= 0.021 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 41 TYR OH : rot 142:sc= -0.108 USER MOD Single : A 45 GLN : amide:sc= -0.407 K(o=-0.41,f=-2.6) USER MOD Single : A 48 ASN : amide:sc= 0.882 K(o=0.88,f=-0.88) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.0607 K(o=-0.061,f=-1.1) USER MOD Single : A 65 ASN : amide:sc= -3 K(o=-3,f=-7.1!) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.0649 X(o=-0.065,f=-0.07) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.347 -0.031 1.625 1.00 0.00 N ATOM 2 CA GLY A 1 -16.623 1.313 1.144 1.00 0.00 C ATOM 3 C GLY A 1 -18.130 1.566 1.060 1.00 0.00 C ATOM 4 O GLY A 1 -18.675 1.735 -0.029 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.319 -0.178 1.673 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.759 -0.152 2.572 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.766 -0.726 0.974 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.165 2.043 1.811 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.172 1.451 0.161 1.00 0.00 H new ATOM 8 N SER A 2 -18.760 1.585 2.226 1.00 0.00 N ATOM 9 CA SER A 2 -20.193 1.815 2.298 1.00 0.00 C ATOM 10 C SER A 2 -20.512 2.771 3.449 1.00 0.00 C ATOM 11 O SER A 2 -20.191 2.489 4.602 1.00 0.00 O ATOM 12 CB SER A 2 -20.954 0.500 2.474 1.00 0.00 C ATOM 13 OG SER A 2 -22.103 0.431 1.634 1.00 0.00 O ATOM 0 H SER A 2 -18.304 1.445 3.128 1.00 0.00 H new ATOM 0 HA SER A 2 -20.514 2.266 1.359 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.291 -0.335 2.250 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.259 0.394 3.515 1.00 0.00 H new ATOM 0 HG SER A 2 -22.560 -0.424 1.775 1.00 0.00 H new ATOM 19 N SER A 3 -21.140 3.883 3.095 1.00 0.00 N ATOM 20 CA SER A 3 -21.506 4.883 4.084 1.00 0.00 C ATOM 21 C SER A 3 -20.254 5.396 4.798 1.00 0.00 C ATOM 22 O SER A 3 -19.831 4.827 5.803 1.00 0.00 O ATOM 23 CB SER A 3 -22.501 4.315 5.099 1.00 0.00 C ATOM 24 OG SER A 3 -23.757 4.007 4.501 1.00 0.00 O ATOM 0 H SER A 3 -21.405 4.113 2.137 1.00 0.00 H new ATOM 0 HA SER A 3 -21.988 5.714 3.568 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.084 3.415 5.550 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.649 5.036 5.903 1.00 0.00 H new ATOM 0 HG SER A 3 -24.363 3.646 5.181 1.00 0.00 H new ATOM 30 N GLY A 4 -19.696 6.465 4.251 1.00 0.00 N ATOM 31 CA GLY A 4 -18.501 7.062 4.822 1.00 0.00 C ATOM 32 C GLY A 4 -17.915 8.121 3.887 1.00 0.00 C ATOM 33 O GLY A 4 -17.528 7.813 2.760 1.00 0.00 O ATOM 0 H GLY A 4 -20.050 6.934 3.417 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.741 7.514 5.784 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.758 6.287 5.010 1.00 0.00 H new ATOM 37 N SER A 5 -17.867 9.346 4.388 1.00 0.00 N ATOM 38 CA SER A 5 -17.335 10.452 3.611 1.00 0.00 C ATOM 39 C SER A 5 -16.734 11.506 4.544 1.00 0.00 C ATOM 40 O SER A 5 -17.006 11.505 5.743 1.00 0.00 O ATOM 41 CB SER A 5 -18.418 11.079 2.731 1.00 0.00 C ATOM 42 OG SER A 5 -19.454 11.679 3.505 1.00 0.00 O ATOM 0 H SER A 5 -18.188 9.597 5.323 1.00 0.00 H new ATOM 0 HA SER A 5 -16.553 10.065 2.958 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.968 11.831 2.083 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.846 10.314 2.083 1.00 0.00 H new ATOM 0 HG SER A 5 -20.125 12.069 2.907 1.00 0.00 H new ATOM 48 N SER A 6 -15.927 12.378 3.957 1.00 0.00 N ATOM 49 CA SER A 6 -15.285 13.434 4.721 1.00 0.00 C ATOM 50 C SER A 6 -14.420 12.828 5.828 1.00 0.00 C ATOM 51 O SER A 6 -14.937 12.380 6.850 1.00 0.00 O ATOM 52 CB SER A 6 -16.320 14.389 5.319 1.00 0.00 C ATOM 53 OG SER A 6 -16.307 15.661 4.677 1.00 0.00 O ATOM 0 H SER A 6 -15.703 12.375 2.962 1.00 0.00 H new ATOM 0 HA SER A 6 -14.650 14.007 4.045 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.313 13.949 5.231 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.122 14.518 6.383 1.00 0.00 H new ATOM 0 HG SER A 6 -16.983 16.241 5.086 1.00 0.00 H new ATOM 59 N GLY A 7 -13.117 12.833 5.587 1.00 0.00 N ATOM 60 CA GLY A 7 -12.175 12.289 6.551 1.00 0.00 C ATOM 61 C GLY A 7 -10.995 11.618 5.845 1.00 0.00 C ATOM 62 O GLY A 7 -10.369 12.215 4.971 1.00 0.00 O ATOM 0 H GLY A 7 -12.691 13.205 4.738 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.810 13.086 7.199 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.680 11.565 7.190 1.00 0.00 H new ATOM 66 N MET A 8 -10.728 10.386 6.252 1.00 0.00 N ATOM 67 CA MET A 8 -9.634 9.627 5.670 1.00 0.00 C ATOM 68 C MET A 8 -9.883 9.358 4.184 1.00 0.00 C ATOM 69 O MET A 8 -10.378 8.293 3.817 1.00 0.00 O ATOM 70 CB MET A 8 -9.484 8.297 6.411 1.00 0.00 C ATOM 71 CG MET A 8 -8.316 7.484 5.848 1.00 0.00 C ATOM 72 SD MET A 8 -8.115 5.976 6.782 1.00 0.00 S ATOM 73 CE MET A 8 -8.635 4.783 5.561 1.00 0.00 C ATOM 0 H MET A 8 -11.250 9.894 6.977 1.00 0.00 H new ATOM 0 HA MET A 8 -8.719 10.212 5.766 1.00 0.00 H new ATOM 0 HB2 MET A 8 -9.323 8.484 7.473 1.00 0.00 H new ATOM 0 HB3 MET A 8 -10.406 7.723 6.325 1.00 0.00 H new ATOM 0 HG2 MET A 8 -8.497 7.250 4.799 1.00 0.00 H new ATOM 0 HG3 MET A 8 -7.399 8.072 5.890 1.00 0.00 H new ATOM 0 HE1 MET A 8 -8.571 3.780 5.982 1.00 0.00 H new ATOM 0 HE2 MET A 8 -9.665 4.988 5.267 1.00 0.00 H new ATOM 0 HE3 MET A 8 -7.988 4.852 4.687 1.00 0.00 H new ATOM 83 N CYS A 9 -9.528 10.341 3.370 1.00 0.00 N ATOM 84 CA CYS A 9 -9.706 10.224 1.933 1.00 0.00 C ATOM 85 C CYS A 9 -9.170 11.497 1.277 1.00 0.00 C ATOM 86 O CYS A 9 -9.927 12.255 0.673 1.00 0.00 O ATOM 87 CB CYS A 9 -11.168 9.964 1.564 1.00 0.00 C ATOM 88 SG CYS A 9 -11.305 9.586 -0.222 1.00 0.00 S ATOM 0 H CYS A 9 -9.118 11.222 3.678 1.00 0.00 H new ATOM 0 HA CYS A 9 -9.148 9.364 1.564 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -11.557 9.132 2.151 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -11.774 10.837 1.807 1.00 0.00 H new ATOM 0 HG CYS A 9 -12.550 9.365 -0.525 1.00 0.00 H new ATOM 94 N GLY A 10 -7.867 11.693 1.417 1.00 0.00 N ATOM 95 CA GLY A 10 -7.220 12.862 0.845 1.00 0.00 C ATOM 96 C GLY A 10 -5.759 12.952 1.289 1.00 0.00 C ATOM 97 O GLY A 10 -4.866 12.458 0.603 1.00 0.00 O ATOM 0 H GLY A 10 -7.242 11.062 1.918 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.271 12.815 -0.243 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.753 13.763 1.150 1.00 0.00 H new ATOM 101 N VAL A 11 -5.560 13.588 2.435 1.00 0.00 N ATOM 102 CA VAL A 11 -4.222 13.749 2.979 1.00 0.00 C ATOM 103 C VAL A 11 -3.802 12.456 3.680 1.00 0.00 C ATOM 104 O VAL A 11 -2.835 11.813 3.276 1.00 0.00 O ATOM 105 CB VAL A 11 -4.176 14.971 3.899 1.00 0.00 C ATOM 106 CG1 VAL A 11 -2.991 14.885 4.864 1.00 0.00 C ATOM 107 CG2 VAL A 11 -4.129 16.267 3.088 1.00 0.00 C ATOM 0 H VAL A 11 -6.303 13.998 3.001 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.504 13.933 2.180 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.091 14.980 4.491 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.981 15.765 5.507 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.085 13.989 5.477 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.062 14.840 4.296 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.097 17.120 3.766 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.239 16.270 2.459 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.018 16.336 2.460 1.00 0.00 H new ATOM 117 N GLU A 12 -4.550 12.114 4.718 1.00 0.00 N ATOM 118 CA GLU A 12 -4.267 10.909 5.480 1.00 0.00 C ATOM 119 C GLU A 12 -3.853 9.773 4.541 1.00 0.00 C ATOM 120 O GLU A 12 -2.792 9.176 4.714 1.00 0.00 O ATOM 121 CB GLU A 12 -5.471 10.504 6.333 1.00 0.00 C ATOM 122 CG GLU A 12 -5.787 11.575 7.378 1.00 0.00 C ATOM 123 CD GLU A 12 -6.902 12.503 6.893 1.00 0.00 C ATOM 124 OE1 GLU A 12 -6.621 13.291 5.964 1.00 0.00 O ATOM 125 OE2 GLU A 12 -8.011 12.404 7.461 1.00 0.00 O ATOM 0 H GLU A 12 -5.352 12.650 5.050 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.438 11.116 6.156 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.339 10.348 5.693 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.267 9.555 6.829 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.086 11.099 8.312 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.890 12.158 7.589 1.00 0.00 H new ATOM 132 N LEU A 13 -4.713 9.509 3.568 1.00 0.00 N ATOM 133 CA LEU A 13 -4.450 8.456 2.603 1.00 0.00 C ATOM 134 C LEU A 13 -2.985 8.523 2.168 1.00 0.00 C ATOM 135 O LEU A 13 -2.233 7.568 2.358 1.00 0.00 O ATOM 136 CB LEU A 13 -5.441 8.535 1.440 1.00 0.00 C ATOM 137 CG LEU A 13 -5.748 7.216 0.729 1.00 0.00 C ATOM 138 CD1 LEU A 13 -7.171 7.214 0.167 1.00 0.00 C ATOM 139 CD2 LEU A 13 -4.705 6.919 -0.351 1.00 0.00 C ATOM 0 H LEU A 13 -5.592 10.006 3.428 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.604 7.477 3.057 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.377 8.949 1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.052 9.239 0.705 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.690 6.412 1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.363 6.265 -0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.884 7.346 0.981 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.281 8.030 -0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.947 5.976 -0.841 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.706 7.722 -1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.718 6.848 0.106 1.00 0.00 H new ATOM 151 N ASP A 14 -2.623 9.660 1.592 1.00 0.00 N ATOM 152 CA ASP A 14 -1.261 9.864 1.128 1.00 0.00 C ATOM 153 C ASP A 14 -0.284 9.423 2.220 1.00 0.00 C ATOM 154 O ASP A 14 0.694 8.731 1.939 1.00 0.00 O ATOM 155 CB ASP A 14 -0.997 11.341 0.827 1.00 0.00 C ATOM 156 CG ASP A 14 0.371 11.641 0.213 1.00 0.00 C ATOM 157 OD1 ASP A 14 1.133 10.669 0.023 1.00 0.00 O ATOM 158 OD2 ASP A 14 0.624 12.836 -0.053 1.00 0.00 O ATOM 0 H ASP A 14 -3.249 10.450 1.436 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.124 9.280 0.218 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.770 11.702 0.148 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.095 11.908 1.753 1.00 0.00 H new ATOM 163 N SER A 15 -0.582 9.841 3.441 1.00 0.00 N ATOM 164 CA SER A 15 0.258 9.497 4.576 1.00 0.00 C ATOM 165 C SER A 15 0.644 8.017 4.511 1.00 0.00 C ATOM 166 O SER A 15 1.827 7.681 4.491 1.00 0.00 O ATOM 167 CB SER A 15 -0.449 9.804 5.897 1.00 0.00 C ATOM 168 OG SER A 15 0.476 9.997 6.965 1.00 0.00 O ATOM 0 H SER A 15 -1.394 10.415 3.670 1.00 0.00 H new ATOM 0 HA SER A 15 1.162 10.104 4.530 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.061 10.698 5.781 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.124 8.985 6.146 1.00 0.00 H new ATOM 0 HG SER A 15 -0.014 10.192 7.791 1.00 0.00 H new ATOM 174 N LEU A 16 -0.377 7.173 4.482 1.00 0.00 N ATOM 175 CA LEU A 16 -0.159 5.738 4.421 1.00 0.00 C ATOM 176 C LEU A 16 0.766 5.416 3.245 1.00 0.00 C ATOM 177 O LEU A 16 1.825 4.819 3.429 1.00 0.00 O ATOM 178 CB LEU A 16 -1.496 4.995 4.373 1.00 0.00 C ATOM 179 CG LEU A 16 -2.479 5.310 5.502 1.00 0.00 C ATOM 180 CD1 LEU A 16 -3.896 4.863 5.136 1.00 0.00 C ATOM 181 CD2 LEU A 16 -2.009 4.700 6.824 1.00 0.00 C ATOM 0 H LEU A 16 -1.357 7.455 4.500 1.00 0.00 H new ATOM 0 HA LEU A 16 0.341 5.390 5.325 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.980 5.220 3.423 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.294 3.924 4.382 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.508 6.391 5.638 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.575 5.099 5.956 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.220 5.384 4.235 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.903 3.788 4.956 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.725 4.939 7.610 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.933 3.618 6.719 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.033 5.108 7.087 1.00 0.00 H new ATOM 193 N ILE A 17 0.331 5.827 2.062 1.00 0.00 N ATOM 194 CA ILE A 17 1.107 5.590 0.857 1.00 0.00 C ATOM 195 C ILE A 17 2.580 5.894 1.135 1.00 0.00 C ATOM 196 O ILE A 17 3.415 4.991 1.132 1.00 0.00 O ATOM 197 CB ILE A 17 0.527 6.381 -0.317 1.00 0.00 C ATOM 198 CG1 ILE A 17 -0.817 5.800 -0.760 1.00 0.00 C ATOM 199 CG2 ILE A 17 1.526 6.458 -1.473 1.00 0.00 C ATOM 200 CD1 ILE A 17 -1.455 6.661 -1.852 1.00 0.00 C ATOM 0 H ILE A 17 -0.548 6.322 1.913 1.00 0.00 H new ATOM 0 HA ILE A 17 1.048 4.541 0.566 1.00 0.00 H new ATOM 0 HB ILE A 17 0.342 7.402 0.018 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.674 4.785 -1.130 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.489 5.736 0.096 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.089 7.025 -2.295 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.437 6.952 -1.135 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.765 5.451 -1.815 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.409 6.225 -2.148 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.619 7.669 -1.471 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.792 6.703 -2.716 1.00 0.00 H new ATOM 212 N SER A 18 2.854 7.169 1.371 1.00 0.00 N ATOM 213 CA SER A 18 4.212 7.603 1.651 1.00 0.00 C ATOM 214 C SER A 18 4.801 6.775 2.794 1.00 0.00 C ATOM 215 O SER A 18 5.881 6.202 2.659 1.00 0.00 O ATOM 216 CB SER A 18 4.254 9.092 1.998 1.00 0.00 C ATOM 217 OG SER A 18 3.748 9.350 3.305 1.00 0.00 O ATOM 0 H SER A 18 2.159 7.915 1.374 1.00 0.00 H new ATOM 0 HA SER A 18 4.811 7.450 0.754 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.281 9.451 1.929 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.671 9.651 1.266 1.00 0.00 H new ATOM 0 HG SER A 18 3.793 10.311 3.489 1.00 0.00 H new ATOM 223 N GLN A 19 4.065 6.738 3.895 1.00 0.00 N ATOM 224 CA GLN A 19 4.501 5.989 5.062 1.00 0.00 C ATOM 225 C GLN A 19 5.160 4.677 4.635 1.00 0.00 C ATOM 226 O GLN A 19 6.311 4.414 4.983 1.00 0.00 O ATOM 227 CB GLN A 19 3.332 5.730 6.015 1.00 0.00 C ATOM 228 CG GLN A 19 3.017 6.975 6.847 1.00 0.00 C ATOM 229 CD GLN A 19 3.193 6.696 8.341 1.00 0.00 C ATOM 230 OE1 GLN A 19 4.190 7.047 8.951 1.00 0.00 O ATOM 231 NE2 GLN A 19 2.173 6.046 8.894 1.00 0.00 N ATOM 0 H GLN A 19 3.170 7.214 4.004 1.00 0.00 H new ATOM 0 HA GLN A 19 5.239 6.586 5.598 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.451 5.437 5.444 1.00 0.00 H new ATOM 0 HB3 GLN A 19 3.575 4.898 6.676 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.672 7.793 6.547 1.00 0.00 H new ATOM 0 HG3 GLN A 19 1.994 7.298 6.652 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.368 5.782 8.326 1.00 0.00 H new ATOM 0 HE22 GLN A 19 2.195 5.812 9.887 1.00 0.00 H new ATOM 240 N VAL A 20 4.404 3.887 3.886 1.00 0.00 N ATOM 241 CA VAL A 20 4.901 2.609 3.407 1.00 0.00 C ATOM 242 C VAL A 20 6.079 2.846 2.460 1.00 0.00 C ATOM 243 O VAL A 20 7.164 2.304 2.666 1.00 0.00 O ATOM 244 CB VAL A 20 3.765 1.815 2.760 1.00 0.00 C ATOM 245 CG1 VAL A 20 4.285 0.513 2.147 1.00 0.00 C ATOM 246 CG2 VAL A 20 2.647 1.537 3.767 1.00 0.00 C ATOM 0 H VAL A 20 3.450 4.108 3.599 1.00 0.00 H new ATOM 0 HA VAL A 20 5.268 2.007 4.238 1.00 0.00 H new ATOM 0 HB VAL A 20 3.349 2.422 1.956 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.457 -0.032 1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.029 0.742 1.384 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.740 -0.100 2.926 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.852 0.971 3.281 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.045 0.960 4.602 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.247 2.481 4.136 1.00 0.00 H new ATOM 256 N LYS A 21 5.826 3.657 1.444 1.00 0.00 N ATOM 257 CA LYS A 21 6.852 3.973 0.465 1.00 0.00 C ATOM 258 C LYS A 21 8.169 4.260 1.188 1.00 0.00 C ATOM 259 O LYS A 21 9.187 3.631 0.903 1.00 0.00 O ATOM 260 CB LYS A 21 6.390 5.112 -0.447 1.00 0.00 C ATOM 261 CG LYS A 21 7.095 5.049 -1.803 1.00 0.00 C ATOM 262 CD LYS A 21 6.347 5.878 -2.849 1.00 0.00 C ATOM 263 CE LYS A 21 7.017 7.238 -3.054 1.00 0.00 C ATOM 264 NZ LYS A 21 6.783 7.730 -4.430 1.00 0.00 N ATOM 0 H LYS A 21 4.925 4.105 1.277 1.00 0.00 H new ATOM 0 HA LYS A 21 7.027 3.121 -0.192 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.311 5.053 -0.591 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.596 6.070 0.030 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.116 5.418 -1.704 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.161 4.013 -2.135 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.319 5.337 -3.795 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.314 6.022 -2.533 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.624 7.955 -2.333 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.088 7.154 -2.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.569 8.349 -4.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.724 6.922 -5.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.892 8.265 -4.460 1.00 0.00 H new ATOM 278 N ASP A 22 8.107 5.210 2.109 1.00 0.00 N ATOM 279 CA ASP A 22 9.283 5.588 2.874 1.00 0.00 C ATOM 280 C ASP A 22 10.066 4.329 3.253 1.00 0.00 C ATOM 281 O ASP A 22 11.293 4.354 3.323 1.00 0.00 O ATOM 282 CB ASP A 22 8.891 6.308 4.166 1.00 0.00 C ATOM 283 CG ASP A 22 8.889 7.835 4.080 1.00 0.00 C ATOM 284 OD1 ASP A 22 9.856 8.372 3.496 1.00 0.00 O ATOM 285 OD2 ASP A 22 7.922 8.432 4.600 1.00 0.00 O ATOM 0 H ASP A 22 7.261 5.729 2.343 1.00 0.00 H new ATOM 0 HA ASP A 22 9.886 6.255 2.258 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.897 5.975 4.463 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.578 6.004 4.956 1.00 0.00 H new ATOM 290 N LEU A 23 9.323 3.258 3.489 1.00 0.00 N ATOM 291 CA LEU A 23 9.931 1.991 3.860 1.00 0.00 C ATOM 292 C LEU A 23 10.208 1.175 2.596 1.00 0.00 C ATOM 293 O LEU A 23 11.239 0.511 2.495 1.00 0.00 O ATOM 294 CB LEU A 23 9.064 1.260 4.887 1.00 0.00 C ATOM 295 CG LEU A 23 9.059 1.848 6.299 1.00 0.00 C ATOM 296 CD1 LEU A 23 8.155 1.034 7.228 1.00 0.00 C ATOM 297 CD2 LEU A 23 10.482 1.971 6.848 1.00 0.00 C ATOM 0 H LEU A 23 8.305 3.241 3.431 1.00 0.00 H new ATOM 0 HA LEU A 23 10.890 2.157 4.350 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.038 1.241 4.519 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.401 0.225 4.947 1.00 0.00 H new ATOM 0 HG LEU A 23 8.646 2.855 6.248 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.169 1.473 8.226 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.136 1.042 6.842 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.516 0.007 7.278 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.449 2.392 7.853 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.945 0.985 6.882 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.067 2.624 6.200 1.00 0.00 H new ATOM 309 N LEU A 24 9.270 1.251 1.663 1.00 0.00 N ATOM 310 CA LEU A 24 9.401 0.527 0.410 1.00 0.00 C ATOM 311 C LEU A 24 9.212 1.498 -0.757 1.00 0.00 C ATOM 312 O LEU A 24 8.184 1.471 -1.432 1.00 0.00 O ATOM 313 CB LEU A 24 8.443 -0.666 0.378 1.00 0.00 C ATOM 314 CG LEU A 24 8.653 -1.724 1.463 1.00 0.00 C ATOM 315 CD1 LEU A 24 7.533 -2.766 1.438 1.00 0.00 C ATOM 316 CD2 LEU A 24 10.036 -2.367 1.342 1.00 0.00 C ATOM 0 H LEU A 24 8.416 1.803 1.750 1.00 0.00 H new ATOM 0 HA LEU A 24 10.402 0.106 0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.423 -0.290 0.458 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.529 -1.150 -0.595 1.00 0.00 H new ATOM 0 HG LEU A 24 8.611 -1.230 2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.707 -3.506 2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.575 -2.275 1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.518 -3.261 0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.159 -3.115 2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.132 -2.844 0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.804 -1.601 1.448 1.00 0.00 H new ATOM 328 N PRO A 25 10.248 2.355 -0.964 1.00 0.00 N ATOM 329 CA PRO A 25 10.206 3.333 -2.038 1.00 0.00 C ATOM 330 C PRO A 25 10.440 2.667 -3.396 1.00 0.00 C ATOM 331 O PRO A 25 9.970 3.158 -4.421 1.00 0.00 O ATOM 332 CB PRO A 25 11.277 4.352 -1.684 1.00 0.00 C ATOM 333 CG PRO A 25 12.189 3.667 -0.680 1.00 0.00 C ATOM 334 CD PRO A 25 11.481 2.416 -0.185 1.00 0.00 C ATOM 0 HA PRO A 25 9.232 3.814 -2.131 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.832 4.659 -2.570 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.834 5.252 -1.258 1.00 0.00 H new ATOM 0 HG2 PRO A 25 13.141 3.409 -1.143 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.410 4.335 0.152 1.00 0.00 H new ATOM 0 HD2 PRO A 25 12.092 1.527 -0.341 1.00 0.00 H new ATOM 0 HD3 PRO A 25 11.272 2.476 0.883 1.00 0.00 H new ATOM 342 N ASP A 26 11.167 1.560 -3.358 1.00 0.00 N ATOM 343 CA ASP A 26 11.469 0.822 -4.573 1.00 0.00 C ATOM 344 C ASP A 26 10.185 0.635 -5.384 1.00 0.00 C ATOM 345 O ASP A 26 10.139 0.972 -6.566 1.00 0.00 O ATOM 346 CB ASP A 26 12.030 -0.564 -4.250 1.00 0.00 C ATOM 347 CG ASP A 26 13.549 -0.695 -4.386 1.00 0.00 C ATOM 348 OD1 ASP A 26 14.105 0.022 -5.246 1.00 0.00 O ATOM 349 OD2 ASP A 26 14.118 -1.509 -3.628 1.00 0.00 O ATOM 0 H ASP A 26 11.556 1.156 -2.506 1.00 0.00 H new ATOM 0 HA ASP A 26 12.210 1.389 -5.136 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.748 -0.825 -3.230 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.557 -1.293 -4.908 1.00 0.00 H new ATOM 354 N LEU A 27 9.175 0.099 -4.716 1.00 0.00 N ATOM 355 CA LEU A 27 7.893 -0.137 -5.360 1.00 0.00 C ATOM 356 C LEU A 27 7.287 1.202 -5.785 1.00 0.00 C ATOM 357 O LEU A 27 7.765 2.261 -5.380 1.00 0.00 O ATOM 358 CB LEU A 27 6.982 -0.965 -4.452 1.00 0.00 C ATOM 359 CG LEU A 27 7.540 -2.313 -3.991 1.00 0.00 C ATOM 360 CD1 LEU A 27 6.760 -2.846 -2.788 1.00 0.00 C ATOM 361 CD2 LEU A 27 7.571 -3.317 -5.145 1.00 0.00 C ATOM 0 H LEU A 27 9.217 -0.179 -3.735 1.00 0.00 H new ATOM 0 HA LEU A 27 8.024 -0.729 -6.266 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.745 -0.371 -3.569 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.044 -1.143 -4.977 1.00 0.00 H new ATOM 0 HG LEU A 27 8.570 -2.164 -3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.177 -3.805 -2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.834 -2.137 -1.963 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.713 -2.976 -3.062 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.972 -4.267 -4.790 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.560 -3.468 -5.523 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.204 -2.932 -5.945 1.00 0.00 H new ATOM 373 N GLY A 28 6.242 1.112 -6.595 1.00 0.00 N ATOM 374 CA GLY A 28 5.565 2.303 -7.078 1.00 0.00 C ATOM 375 C GLY A 28 4.284 2.566 -6.285 1.00 0.00 C ATOM 376 O GLY A 28 3.573 1.631 -5.919 1.00 0.00 O ATOM 0 H GLY A 28 5.848 0.232 -6.929 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.231 3.162 -6.996 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.325 2.186 -8.135 1.00 0.00 H new ATOM 380 N GLU A 29 4.028 3.843 -6.041 1.00 0.00 N ATOM 381 CA GLU A 29 2.845 4.241 -5.297 1.00 0.00 C ATOM 382 C GLU A 29 1.623 3.465 -5.790 1.00 0.00 C ATOM 383 O GLU A 29 0.904 2.861 -4.995 1.00 0.00 O ATOM 384 CB GLU A 29 2.615 5.750 -5.400 1.00 0.00 C ATOM 385 CG GLU A 29 3.428 6.502 -4.344 1.00 0.00 C ATOM 386 CD GLU A 29 3.431 8.006 -4.623 1.00 0.00 C ATOM 387 OE1 GLU A 29 2.658 8.420 -5.515 1.00 0.00 O ATOM 388 OE2 GLU A 29 4.206 8.709 -3.940 1.00 0.00 O ATOM 0 H GLU A 29 4.620 4.616 -6.346 1.00 0.00 H new ATOM 0 HA GLU A 29 3.003 4.002 -4.245 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.895 6.097 -6.395 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.555 5.969 -5.272 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.010 6.313 -3.355 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.452 6.128 -4.334 1.00 0.00 H new ATOM 395 N GLY A 30 1.424 3.506 -7.099 1.00 0.00 N ATOM 396 CA GLY A 30 0.300 2.813 -7.708 1.00 0.00 C ATOM 397 C GLY A 30 0.078 1.448 -7.054 1.00 0.00 C ATOM 398 O GLY A 30 -1.056 1.073 -6.761 1.00 0.00 O ATOM 0 H GLY A 30 2.022 4.008 -7.755 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.601 3.418 -7.610 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.483 2.684 -8.775 1.00 0.00 H new ATOM 402 N PHE A 31 1.179 0.742 -6.844 1.00 0.00 N ATOM 403 CA PHE A 31 1.119 -0.573 -6.230 1.00 0.00 C ATOM 404 C PHE A 31 0.969 -0.463 -4.711 1.00 0.00 C ATOM 405 O PHE A 31 0.359 -1.325 -4.080 1.00 0.00 O ATOM 406 CB PHE A 31 2.439 -1.277 -6.550 1.00 0.00 C ATOM 407 CG PHE A 31 2.617 -2.620 -5.839 1.00 0.00 C ATOM 408 CD1 PHE A 31 2.044 -3.742 -6.351 1.00 0.00 C ATOM 409 CD2 PHE A 31 3.348 -2.692 -4.695 1.00 0.00 C ATOM 410 CE1 PHE A 31 2.209 -4.989 -5.691 1.00 0.00 C ATOM 411 CE2 PHE A 31 3.513 -3.938 -4.034 1.00 0.00 C ATOM 412 CZ PHE A 31 2.940 -5.060 -4.547 1.00 0.00 C ATOM 0 H PHE A 31 2.118 1.056 -7.088 1.00 0.00 H new ATOM 0 HA PHE A 31 0.260 -1.124 -6.614 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.502 -1.436 -7.626 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.265 -0.620 -6.276 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.463 -3.685 -7.260 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.804 -1.801 -4.289 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.754 -5.880 -6.098 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.093 -3.995 -3.125 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.066 -6.008 -4.045 1.00 0.00 H new ATOM 422 N ILE A 32 1.536 0.604 -4.168 1.00 0.00 N ATOM 423 CA ILE A 32 1.473 0.838 -2.736 1.00 0.00 C ATOM 424 C ILE A 32 0.042 1.212 -2.347 1.00 0.00 C ATOM 425 O ILE A 32 -0.435 0.831 -1.279 1.00 0.00 O ATOM 426 CB ILE A 32 2.516 1.876 -2.316 1.00 0.00 C ATOM 427 CG1 ILE A 32 3.927 1.419 -2.692 1.00 0.00 C ATOM 428 CG2 ILE A 32 2.397 2.201 -0.826 1.00 0.00 C ATOM 429 CD1 ILE A 32 4.945 2.539 -2.465 1.00 0.00 C ATOM 0 H ILE A 32 2.041 1.316 -4.695 1.00 0.00 H new ATOM 0 HA ILE A 32 1.725 -0.071 -2.190 1.00 0.00 H new ATOM 0 HB ILE A 32 2.320 2.798 -2.863 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.201 0.547 -2.098 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.947 1.111 -3.737 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.150 2.941 -0.554 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.404 2.600 -0.619 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.552 1.294 -0.242 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.940 2.188 -2.740 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.682 3.400 -3.079 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.940 2.828 -1.414 1.00 0.00 H new ATOM 441 N LEU A 33 -0.604 1.954 -3.235 1.00 0.00 N ATOM 442 CA LEU A 33 -1.972 2.384 -2.998 1.00 0.00 C ATOM 443 C LEU A 33 -2.903 1.173 -3.077 1.00 0.00 C ATOM 444 O LEU A 33 -3.678 0.919 -2.156 1.00 0.00 O ATOM 445 CB LEU A 33 -2.351 3.515 -3.955 1.00 0.00 C ATOM 446 CG LEU A 33 -3.832 3.898 -3.987 1.00 0.00 C ATOM 447 CD1 LEU A 33 -4.612 2.991 -4.941 1.00 0.00 C ATOM 448 CD2 LEU A 33 -4.430 3.898 -2.579 1.00 0.00 C ATOM 0 H LEU A 33 -0.205 2.268 -4.120 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.073 2.799 -1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.773 4.400 -3.688 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.048 3.229 -4.962 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.913 4.915 -4.370 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.662 3.284 -4.945 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.205 3.086 -5.948 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.526 1.956 -4.611 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.483 4.174 -2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.336 2.903 -2.144 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.897 4.617 -1.957 1.00 0.00 H new ATOM 460 N ALA A 34 -2.798 0.457 -4.187 1.00 0.00 N ATOM 461 CA ALA A 34 -3.621 -0.721 -4.399 1.00 0.00 C ATOM 462 C ALA A 34 -3.575 -1.602 -3.149 1.00 0.00 C ATOM 463 O ALA A 34 -4.613 -1.920 -2.570 1.00 0.00 O ATOM 464 CB ALA A 34 -3.143 -1.460 -5.650 1.00 0.00 C ATOM 0 H ALA A 34 -2.155 0.670 -4.949 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.660 -0.437 -4.565 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.761 -2.344 -5.809 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.223 -0.801 -6.515 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.104 -1.762 -5.519 1.00 0.00 H new ATOM 470 N CYS A 35 -2.361 -1.971 -2.768 1.00 0.00 N ATOM 471 CA CYS A 35 -2.166 -2.809 -1.597 1.00 0.00 C ATOM 472 C CYS A 35 -2.987 -2.223 -0.446 1.00 0.00 C ATOM 473 O CYS A 35 -3.928 -2.853 0.033 1.00 0.00 O ATOM 474 CB CYS A 35 -0.685 -2.938 -1.234 1.00 0.00 C ATOM 475 SG CYS A 35 0.074 -4.307 -2.182 1.00 0.00 S ATOM 0 H CYS A 35 -1.502 -1.705 -3.250 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.510 -3.821 -1.809 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.166 -2.004 -1.450 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.579 -3.122 -0.165 1.00 0.00 H new ATOM 0 HG CYS A 35 1.203 -3.910 -2.690 1.00 0.00 H new ATOM 481 N LEU A 36 -2.599 -1.025 -0.035 1.00 0.00 N ATOM 482 CA LEU A 36 -3.287 -0.348 1.051 1.00 0.00 C ATOM 483 C LEU A 36 -4.795 -0.572 0.913 1.00 0.00 C ATOM 484 O LEU A 36 -5.412 -1.210 1.764 1.00 0.00 O ATOM 485 CB LEU A 36 -2.887 1.128 1.101 1.00 0.00 C ATOM 486 CG LEU A 36 -1.608 1.450 1.877 1.00 0.00 C ATOM 487 CD1 LEU A 36 -1.078 2.837 1.508 1.00 0.00 C ATOM 488 CD2 LEU A 36 -1.828 1.303 3.384 1.00 0.00 C ATOM 0 H LEU A 36 -1.817 -0.506 -0.434 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.989 -0.768 2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.768 1.487 0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.708 1.692 1.543 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.844 0.726 1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.169 3.041 2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.857 2.870 0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.830 3.589 1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.903 1.538 3.911 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.613 1.988 3.706 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.125 0.279 3.610 1.00 0.00 H new ATOM 500 N GLU A 37 -5.344 -0.034 -0.167 1.00 0.00 N ATOM 501 CA GLU A 37 -6.767 -0.167 -0.428 1.00 0.00 C ATOM 502 C GLU A 37 -7.251 -1.564 -0.032 1.00 0.00 C ATOM 503 O GLU A 37 -8.117 -1.704 0.830 1.00 0.00 O ATOM 504 CB GLU A 37 -7.085 0.129 -1.895 1.00 0.00 C ATOM 505 CG GLU A 37 -7.237 1.633 -2.130 1.00 0.00 C ATOM 506 CD GLU A 37 -8.578 1.951 -2.794 1.00 0.00 C ATOM 507 OE1 GLU A 37 -9.610 1.739 -2.120 1.00 0.00 O ATOM 508 OE2 GLU A 37 -8.542 2.399 -3.961 1.00 0.00 O ATOM 0 H GLU A 37 -4.829 0.495 -0.871 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.298 0.566 0.179 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.290 -0.263 -2.529 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.004 -0.382 -2.182 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.163 2.162 -1.180 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.422 1.991 -2.759 1.00 0.00 H new ATOM 515 N TYR A 38 -6.670 -2.562 -0.682 1.00 0.00 N ATOM 516 CA TYR A 38 -7.031 -3.943 -0.409 1.00 0.00 C ATOM 517 C TYR A 38 -6.764 -4.300 1.054 1.00 0.00 C ATOM 518 O TYR A 38 -7.548 -5.017 1.675 1.00 0.00 O ATOM 519 CB TYR A 38 -6.131 -4.798 -1.303 1.00 0.00 C ATOM 520 CG TYR A 38 -6.383 -6.303 -1.181 1.00 0.00 C ATOM 521 CD1 TYR A 38 -5.836 -7.011 -0.131 1.00 0.00 C ATOM 522 CD2 TYR A 38 -7.157 -6.951 -2.122 1.00 0.00 C ATOM 523 CE1 TYR A 38 -6.072 -8.427 -0.017 1.00 0.00 C ATOM 524 CE2 TYR A 38 -7.394 -8.367 -2.008 1.00 0.00 C ATOM 525 CZ TYR A 38 -6.840 -9.035 -0.961 1.00 0.00 C ATOM 526 OH TYR A 38 -7.063 -10.372 -0.852 1.00 0.00 O ATOM 0 H TYR A 38 -5.952 -2.442 -1.397 1.00 0.00 H new ATOM 0 HA TYR A 38 -8.091 -4.109 -0.602 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -6.277 -4.498 -2.341 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -5.090 -4.593 -1.055 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.231 -6.503 0.606 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -7.585 -6.396 -2.944 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.649 -8.993 0.799 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.998 -8.886 -2.737 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.629 -10.671 -1.594 1.00 0.00 H new ATOM 536 N TYR A 39 -5.654 -3.785 1.563 1.00 0.00 N ATOM 537 CA TYR A 39 -5.273 -4.041 2.942 1.00 0.00 C ATOM 538 C TYR A 39 -5.900 -3.011 3.884 1.00 0.00 C ATOM 539 O TYR A 39 -5.218 -2.457 4.745 1.00 0.00 O ATOM 540 CB TYR A 39 -3.751 -3.901 2.992 1.00 0.00 C ATOM 541 CG TYR A 39 -2.995 -5.138 2.501 1.00 0.00 C ATOM 542 CD1 TYR A 39 -3.041 -6.309 3.230 1.00 0.00 C ATOM 543 CD2 TYR A 39 -2.269 -5.082 1.329 1.00 0.00 C ATOM 544 CE1 TYR A 39 -2.330 -7.472 2.767 1.00 0.00 C ATOM 545 CE2 TYR A 39 -1.558 -6.246 0.867 1.00 0.00 C ATOM 546 CZ TYR A 39 -1.623 -7.384 1.609 1.00 0.00 C ATOM 547 OH TYR A 39 -0.952 -8.483 1.172 1.00 0.00 O ATOM 0 H TYR A 39 -5.006 -3.191 1.045 1.00 0.00 H new ATOM 0 HA TYR A 39 -5.612 -5.028 3.257 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -3.455 -3.044 2.387 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.450 -3.687 4.017 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.610 -6.353 4.147 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.234 -4.166 0.758 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.358 -8.395 3.328 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.986 -6.216 -0.048 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.283 -9.277 1.642 1.00 0.00 H new ATOM 557 N HIS A 40 -7.191 -2.786 3.688 1.00 0.00 N ATOM 558 CA HIS A 40 -7.917 -1.832 4.510 1.00 0.00 C ATOM 559 C HIS A 40 -7.022 -0.628 4.811 1.00 0.00 C ATOM 560 O HIS A 40 -6.854 -0.249 5.969 1.00 0.00 O ATOM 561 CB HIS A 40 -8.453 -2.503 5.775 1.00 0.00 C ATOM 562 CG HIS A 40 -9.750 -3.251 5.572 1.00 0.00 C ATOM 563 ND1 HIS A 40 -10.827 -3.130 6.432 1.00 0.00 N ATOM 564 CD2 HIS A 40 -10.129 -4.127 4.598 1.00 0.00 C ATOM 565 CE1 HIS A 40 -11.806 -3.905 5.987 1.00 0.00 C ATOM 566 NE2 HIS A 40 -11.371 -4.522 4.851 1.00 0.00 N ATOM 0 H HIS A 40 -7.753 -3.247 2.973 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.788 -1.466 3.966 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -7.701 -3.196 6.153 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -8.600 -1.743 6.542 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -9.522 -4.445 3.763 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -12.777 -4.027 6.444 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -11.911 -5.179 4.288 1.00 0.00 H new ATOM 574 N TYR A 41 -6.471 -0.061 3.748 1.00 0.00 N ATOM 575 CA TYR A 41 -5.597 1.092 3.884 1.00 0.00 C ATOM 576 C TYR A 41 -4.722 0.973 5.133 1.00 0.00 C ATOM 577 O TYR A 41 -4.746 1.847 5.998 1.00 0.00 O ATOM 578 CB TYR A 41 -6.519 2.304 4.035 1.00 0.00 C ATOM 579 CG TYR A 41 -7.147 2.776 2.723 1.00 0.00 C ATOM 580 CD1 TYR A 41 -6.356 3.346 1.745 1.00 0.00 C ATOM 581 CD2 TYR A 41 -8.504 2.633 2.516 1.00 0.00 C ATOM 582 CE1 TYR A 41 -6.948 3.791 0.510 1.00 0.00 C ATOM 583 CE2 TYR A 41 -9.095 3.077 1.280 1.00 0.00 C ATOM 584 CZ TYR A 41 -8.288 3.634 0.338 1.00 0.00 C ATOM 585 OH TYR A 41 -8.846 4.054 -0.829 1.00 0.00 O ATOM 0 H TYR A 41 -6.613 -0.378 2.789 1.00 0.00 H new ATOM 0 HA TYR A 41 -4.934 1.175 3.022 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.314 2.057 4.738 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.952 3.127 4.471 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.294 3.458 1.906 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -9.123 2.188 3.281 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -6.341 4.240 -0.263 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -10.155 2.970 1.105 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.544 3.424 -1.103 1.00 0.00 H new ATOM 595 N ASP A 42 -3.968 -0.116 5.187 1.00 0.00 N ATOM 596 CA ASP A 42 -3.087 -0.361 6.316 1.00 0.00 C ATOM 597 C ASP A 42 -1.660 -0.574 5.806 1.00 0.00 C ATOM 598 O ASP A 42 -1.432 -1.385 4.910 1.00 0.00 O ATOM 599 CB ASP A 42 -3.508 -1.617 7.081 1.00 0.00 C ATOM 600 CG ASP A 42 -3.551 -1.463 8.602 1.00 0.00 C ATOM 601 OD1 ASP A 42 -2.563 -0.926 9.147 1.00 0.00 O ATOM 602 OD2 ASP A 42 -4.571 -1.887 9.187 1.00 0.00 O ATOM 0 H ASP A 42 -3.949 -0.838 4.467 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.142 0.501 6.981 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.495 -1.922 6.734 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.819 -2.424 6.832 1.00 0.00 H new ATOM 607 N PRO A 43 -0.713 0.189 6.414 1.00 0.00 N ATOM 608 CA PRO A 43 0.686 0.092 6.032 1.00 0.00 C ATOM 609 C PRO A 43 1.316 -1.190 6.580 1.00 0.00 C ATOM 610 O PRO A 43 1.874 -1.984 5.824 1.00 0.00 O ATOM 611 CB PRO A 43 1.332 1.354 6.580 1.00 0.00 C ATOM 612 CG PRO A 43 0.382 1.881 7.643 1.00 0.00 C ATOM 613 CD PRO A 43 -0.947 1.161 7.479 1.00 0.00 C ATOM 0 HA PRO A 43 0.824 0.027 4.953 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.312 1.138 7.005 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.482 2.090 5.791 1.00 0.00 H new ATOM 0 HG2 PRO A 43 0.790 1.708 8.639 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.249 2.958 7.536 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.248 0.670 8.404 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.744 1.856 7.213 1.00 0.00 H new ATOM 621 N GLU A 44 1.207 -1.352 7.890 1.00 0.00 N ATOM 622 CA GLU A 44 1.759 -2.523 8.548 1.00 0.00 C ATOM 623 C GLU A 44 1.409 -3.788 7.762 1.00 0.00 C ATOM 624 O GLU A 44 2.266 -4.643 7.541 1.00 0.00 O ATOM 625 CB GLU A 44 1.268 -2.623 9.994 1.00 0.00 C ATOM 626 CG GLU A 44 2.320 -2.090 10.968 1.00 0.00 C ATOM 627 CD GLU A 44 1.684 -1.705 12.306 1.00 0.00 C ATOM 628 OE1 GLU A 44 0.859 -2.507 12.793 1.00 0.00 O ATOM 629 OE2 GLU A 44 2.038 -0.618 12.810 1.00 0.00 O ATOM 0 H GLU A 44 0.744 -0.691 8.514 1.00 0.00 H new ATOM 0 HA GLU A 44 2.844 -2.423 8.574 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.343 -2.058 10.108 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.039 -3.661 10.233 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.087 -2.847 11.130 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.816 -1.222 10.534 1.00 0.00 H new ATOM 636 N GLN A 45 0.149 -3.867 7.361 1.00 0.00 N ATOM 637 CA GLN A 45 -0.325 -5.014 6.604 1.00 0.00 C ATOM 638 C GLN A 45 0.519 -5.201 5.341 1.00 0.00 C ATOM 639 O GLN A 45 1.140 -6.246 5.155 1.00 0.00 O ATOM 640 CB GLN A 45 -1.807 -4.866 6.256 1.00 0.00 C ATOM 641 CG GLN A 45 -2.679 -4.992 7.507 1.00 0.00 C ATOM 642 CD GLN A 45 -4.091 -5.460 7.146 1.00 0.00 C ATOM 643 OE1 GLN A 45 -4.298 -6.253 6.243 1.00 0.00 O ATOM 644 NE2 GLN A 45 -5.047 -4.926 7.901 1.00 0.00 N ATOM 0 H GLN A 45 -0.558 -3.156 7.546 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.218 -5.904 7.224 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -1.979 -3.898 5.785 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.092 -5.629 5.531 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.224 -5.698 8.202 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.730 -4.030 8.018 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.804 -4.268 8.641 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.023 -5.175 7.740 1.00 0.00 H new ATOM 653 N VAL A 46 0.513 -4.173 4.506 1.00 0.00 N ATOM 654 CA VAL A 46 1.270 -4.211 3.266 1.00 0.00 C ATOM 655 C VAL A 46 2.692 -4.695 3.557 1.00 0.00 C ATOM 656 O VAL A 46 3.093 -5.765 3.100 1.00 0.00 O ATOM 657 CB VAL A 46 1.232 -2.840 2.587 1.00 0.00 C ATOM 658 CG1 VAL A 46 2.226 -2.776 1.425 1.00 0.00 C ATOM 659 CG2 VAL A 46 -0.184 -2.500 2.118 1.00 0.00 C ATOM 0 H VAL A 46 -0.004 -3.308 4.663 1.00 0.00 H new ATOM 0 HA VAL A 46 0.823 -4.917 2.567 1.00 0.00 H new ATOM 0 HB VAL A 46 1.529 -2.093 3.323 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.179 -1.791 0.960 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.235 -2.953 1.799 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.973 -3.538 0.688 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.183 -1.521 1.639 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.522 -3.252 1.405 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.857 -2.484 2.975 1.00 0.00 H new ATOM 669 N ILE A 47 3.416 -3.884 4.315 1.00 0.00 N ATOM 670 CA ILE A 47 4.785 -4.217 4.671 1.00 0.00 C ATOM 671 C ILE A 47 4.847 -5.675 5.131 1.00 0.00 C ATOM 672 O ILE A 47 5.499 -6.502 4.496 1.00 0.00 O ATOM 673 CB ILE A 47 5.326 -3.223 5.701 1.00 0.00 C ATOM 674 CG1 ILE A 47 5.368 -1.806 5.126 1.00 0.00 C ATOM 675 CG2 ILE A 47 6.692 -3.668 6.227 1.00 0.00 C ATOM 676 CD1 ILE A 47 5.356 -0.760 6.243 1.00 0.00 C ATOM 0 H ILE A 47 3.080 -2.998 4.692 1.00 0.00 H new ATOM 0 HA ILE A 47 5.438 -4.129 3.803 1.00 0.00 H new ATOM 0 HB ILE A 47 4.643 -3.206 6.550 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.264 -1.683 4.518 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.512 -1.651 4.469 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.054 -2.944 6.957 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.599 -4.646 6.700 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.398 -3.732 5.399 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.386 0.238 5.807 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.447 -0.870 6.835 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.226 -0.902 6.884 1.00 0.00 H new ATOM 688 N ASN A 48 4.162 -5.944 6.233 1.00 0.00 N ATOM 689 CA ASN A 48 4.131 -7.288 6.785 1.00 0.00 C ATOM 690 C ASN A 48 4.020 -8.301 5.645 1.00 0.00 C ATOM 691 O ASN A 48 4.910 -9.130 5.457 1.00 0.00 O ATOM 692 CB ASN A 48 2.924 -7.478 7.706 1.00 0.00 C ATOM 693 CG ASN A 48 3.287 -7.162 9.158 1.00 0.00 C ATOM 694 OD1 ASN A 48 3.481 -8.041 9.982 1.00 0.00 O ATOM 695 ND2 ASN A 48 3.368 -5.861 9.425 1.00 0.00 N ATOM 0 H ASN A 48 3.624 -5.254 6.758 1.00 0.00 H new ATOM 0 HA ASN A 48 5.047 -7.439 7.356 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.109 -6.830 7.382 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.564 -8.504 7.633 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.605 -5.547 10.366 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.193 -5.177 8.688 1.00 0.00 H new ATOM 702 N ASN A 49 2.920 -8.202 4.912 1.00 0.00 N ATOM 703 CA ASN A 49 2.681 -9.100 3.795 1.00 0.00 C ATOM 704 C ASN A 49 3.945 -9.186 2.937 1.00 0.00 C ATOM 705 O ASN A 49 4.532 -10.258 2.796 1.00 0.00 O ATOM 706 CB ASN A 49 1.543 -8.587 2.911 1.00 0.00 C ATOM 707 CG ASN A 49 0.183 -9.020 3.462 1.00 0.00 C ATOM 708 OD1 ASN A 49 -0.411 -9.993 3.026 1.00 0.00 O ATOM 709 ND2 ASN A 49 -0.275 -8.246 4.442 1.00 0.00 N ATOM 0 H ASN A 49 2.184 -7.513 5.070 1.00 0.00 H new ATOM 0 HA ASN A 49 2.413 -10.077 4.198 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.586 -7.499 2.852 1.00 0.00 H new ATOM 0 HB3 ASN A 49 1.666 -8.967 1.897 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.175 -8.452 4.876 1.00 0.00 H new ATOM 0 HD22 ASN A 49 0.273 -7.447 4.759 1.00 0.00 H new ATOM 716 N ILE A 50 4.327 -8.044 2.385 1.00 0.00 N ATOM 717 CA ILE A 50 5.510 -7.977 1.545 1.00 0.00 C ATOM 718 C ILE A 50 6.665 -8.700 2.239 1.00 0.00 C ATOM 719 O ILE A 50 7.234 -9.641 1.689 1.00 0.00 O ATOM 720 CB ILE A 50 5.825 -6.526 1.177 1.00 0.00 C ATOM 721 CG1 ILE A 50 4.662 -5.889 0.413 1.00 0.00 C ATOM 722 CG2 ILE A 50 7.140 -6.429 0.402 1.00 0.00 C ATOM 723 CD1 ILE A 50 4.616 -4.377 0.644 1.00 0.00 C ATOM 0 H ILE A 50 3.838 -7.157 2.503 1.00 0.00 H new ATOM 0 HA ILE A 50 5.335 -8.490 0.599 1.00 0.00 H new ATOM 0 HB ILE A 50 5.953 -5.961 2.100 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.766 -6.095 -0.652 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.722 -6.338 0.734 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.340 -5.387 0.153 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.953 -6.818 1.015 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.066 -7.013 -0.515 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.780 -3.950 0.090 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.487 -4.175 1.707 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.548 -3.928 0.300 1.00 0.00 H new ATOM 735 N LEU A 51 6.978 -8.231 3.439 1.00 0.00 N ATOM 736 CA LEU A 51 8.056 -8.821 4.214 1.00 0.00 C ATOM 737 C LEU A 51 7.893 -10.342 4.232 1.00 0.00 C ATOM 738 O LEU A 51 8.851 -11.076 3.994 1.00 0.00 O ATOM 739 CB LEU A 51 8.118 -8.194 5.608 1.00 0.00 C ATOM 740 CG LEU A 51 9.122 -7.052 5.786 1.00 0.00 C ATOM 741 CD1 LEU A 51 8.743 -6.169 6.977 1.00 0.00 C ATOM 742 CD2 LEU A 51 10.549 -7.590 5.902 1.00 0.00 C ATOM 0 H LEU A 51 6.504 -7.450 3.893 1.00 0.00 H new ATOM 0 HA LEU A 51 9.019 -8.609 3.750 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.126 -7.822 5.862 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.358 -8.978 6.327 1.00 0.00 H new ATOM 0 HG LEU A 51 9.086 -6.424 4.896 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.472 -5.366 7.081 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.754 -5.742 6.813 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.733 -6.770 7.887 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.242 -6.758 6.028 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.619 -8.254 6.764 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.804 -8.142 4.997 1.00 0.00 H new ATOM 754 N GLU A 52 6.672 -10.771 4.515 1.00 0.00 N ATOM 755 CA GLU A 52 6.371 -12.192 4.566 1.00 0.00 C ATOM 756 C GLU A 52 5.959 -12.698 3.182 1.00 0.00 C ATOM 757 O GLU A 52 5.356 -13.763 3.061 1.00 0.00 O ATOM 758 CB GLU A 52 5.284 -12.485 5.603 1.00 0.00 C ATOM 759 CG GLU A 52 5.766 -12.143 7.014 1.00 0.00 C ATOM 760 CD GLU A 52 6.061 -13.412 7.816 1.00 0.00 C ATOM 761 OE1 GLU A 52 5.078 -14.076 8.209 1.00 0.00 O ATOM 762 OE2 GLU A 52 7.263 -13.690 8.017 1.00 0.00 O ATOM 0 H GLU A 52 5.879 -10.160 4.711 1.00 0.00 H new ATOM 0 HA GLU A 52 7.272 -12.724 4.872 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.389 -11.907 5.370 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.005 -13.538 5.555 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.664 -11.528 6.956 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.008 -11.552 7.528 1.00 0.00 H new ATOM 769 N GLU A 53 6.301 -11.910 2.174 1.00 0.00 N ATOM 770 CA GLU A 53 5.975 -12.264 0.803 1.00 0.00 C ATOM 771 C GLU A 53 4.585 -12.901 0.736 1.00 0.00 C ATOM 772 O GLU A 53 4.372 -13.858 -0.007 1.00 0.00 O ATOM 773 CB GLU A 53 7.034 -13.195 0.210 1.00 0.00 C ATOM 774 CG GLU A 53 8.309 -12.424 -0.138 1.00 0.00 C ATOM 775 CD GLU A 53 8.308 -11.998 -1.608 1.00 0.00 C ATOM 776 OE1 GLU A 53 8.569 -12.880 -2.454 1.00 0.00 O ATOM 777 OE2 GLU A 53 8.047 -10.800 -1.851 1.00 0.00 O ATOM 0 H GLU A 53 6.801 -11.027 2.279 1.00 0.00 H new ATOM 0 HA GLU A 53 5.965 -11.352 0.205 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.267 -13.987 0.922 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.640 -13.676 -0.685 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.391 -11.544 0.499 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.181 -13.046 0.064 1.00 0.00 H new ATOM 784 N ARG A 54 3.676 -12.345 1.523 1.00 0.00 N ATOM 785 CA ARG A 54 2.313 -12.848 1.562 1.00 0.00 C ATOM 786 C ARG A 54 1.388 -11.938 0.751 1.00 0.00 C ATOM 787 O ARG A 54 0.192 -11.859 1.026 1.00 0.00 O ATOM 788 CB ARG A 54 1.799 -12.933 3.001 1.00 0.00 C ATOM 789 CG ARG A 54 2.447 -14.101 3.747 1.00 0.00 C ATOM 790 CD ARG A 54 1.453 -14.759 4.705 1.00 0.00 C ATOM 791 NE ARG A 54 0.464 -15.554 3.942 1.00 0.00 N ATOM 792 CZ ARG A 54 -0.684 -16.017 4.455 1.00 0.00 C ATOM 793 NH1 ARG A 54 -0.995 -15.767 5.734 1.00 0.00 N ATOM 794 NH2 ARG A 54 -1.521 -16.729 3.688 1.00 0.00 N ATOM 0 H ARG A 54 3.856 -11.552 2.138 1.00 0.00 H new ATOM 0 HA ARG A 54 2.316 -13.848 1.129 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.013 -12.000 3.523 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.716 -13.055 2.997 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.810 -14.838 3.031 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.314 -13.745 4.304 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.984 -15.401 5.408 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.943 -13.996 5.293 1.00 0.00 H new ATOM 0 HE ARG A 54 0.669 -15.762 2.965 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.358 -15.224 6.317 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.869 -16.119 6.125 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.284 -16.918 2.714 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.395 -17.082 4.078 1.00 0.00 H new ATOM 808 N LEU A 55 1.978 -11.274 -0.233 1.00 0.00 N ATOM 809 CA LEU A 55 1.222 -10.373 -1.086 1.00 0.00 C ATOM 810 C LEU A 55 0.209 -11.180 -1.901 1.00 0.00 C ATOM 811 O LEU A 55 0.580 -12.112 -2.612 1.00 0.00 O ATOM 812 CB LEU A 55 2.167 -9.528 -1.943 1.00 0.00 C ATOM 813 CG LEU A 55 2.757 -8.289 -1.266 1.00 0.00 C ATOM 814 CD1 LEU A 55 3.653 -7.511 -2.233 1.00 0.00 C ATOM 815 CD2 LEU A 55 1.654 -7.410 -0.674 1.00 0.00 C ATOM 0 H LEU A 55 2.971 -11.342 -0.458 1.00 0.00 H new ATOM 0 HA LEU A 55 0.655 -9.664 -0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.989 -10.162 -2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.629 -9.209 -2.836 1.00 0.00 H new ATOM 0 HG LEU A 55 3.385 -8.618 -0.438 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.060 -6.635 -1.727 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.471 -8.150 -2.566 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.067 -7.193 -3.095 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.101 -6.536 -0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.981 -7.087 -1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.094 -7.979 0.067 1.00 0.00 H new ATOM 827 N ALA A 56 -1.051 -10.791 -1.771 1.00 0.00 N ATOM 828 CA ALA A 56 -2.120 -11.466 -2.486 1.00 0.00 C ATOM 829 C ALA A 56 -1.695 -11.689 -3.939 1.00 0.00 C ATOM 830 O ALA A 56 -0.696 -11.130 -4.390 1.00 0.00 O ATOM 831 CB ALA A 56 -3.407 -10.646 -2.375 1.00 0.00 C ATOM 0 H ALA A 56 -1.355 -10.017 -1.181 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.317 -12.444 -2.046 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.209 -11.153 -2.912 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.682 -10.541 -1.326 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.248 -9.659 -2.809 1.00 0.00 H new ATOM 837 N PRO A 57 -2.494 -12.529 -4.649 1.00 0.00 N ATOM 838 CA PRO A 57 -2.210 -12.833 -6.042 1.00 0.00 C ATOM 839 C PRO A 57 -2.583 -11.657 -6.946 1.00 0.00 C ATOM 840 O PRO A 57 -1.836 -11.311 -7.860 1.00 0.00 O ATOM 841 CB PRO A 57 -3.011 -14.090 -6.341 1.00 0.00 C ATOM 842 CG PRO A 57 -4.070 -14.179 -5.254 1.00 0.00 C ATOM 843 CD PRO A 57 -3.685 -13.210 -4.148 1.00 0.00 C ATOM 0 HA PRO A 57 -1.149 -12.999 -6.229 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.469 -14.035 -7.329 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.370 -14.972 -6.335 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.052 -13.929 -5.656 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.134 -15.196 -4.866 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.489 -12.503 -3.944 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.478 -13.735 -3.216 1.00 0.00 H new ATOM 851 N THR A 58 -3.739 -11.075 -6.660 1.00 0.00 N ATOM 852 CA THR A 58 -4.220 -9.945 -7.437 1.00 0.00 C ATOM 853 C THR A 58 -3.258 -8.762 -7.310 1.00 0.00 C ATOM 854 O THR A 58 -2.873 -8.160 -8.311 1.00 0.00 O ATOM 855 CB THR A 58 -5.642 -9.624 -6.973 1.00 0.00 C ATOM 856 OG1 THR A 58 -6.428 -10.689 -7.499 1.00 0.00 O ATOM 857 CG2 THR A 58 -6.210 -8.373 -7.647 1.00 0.00 C ATOM 0 H THR A 58 -4.356 -11.365 -5.901 1.00 0.00 H new ATOM 0 HA THR A 58 -4.255 -10.182 -8.500 1.00 0.00 H new ATOM 0 HB THR A 58 -5.648 -9.488 -5.892 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.365 -10.561 -7.244 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.221 -8.190 -7.282 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.579 -7.515 -7.413 1.00 0.00 H new ATOM 0 HG23 THR A 58 -6.235 -8.521 -8.727 1.00 0.00 H new ATOM 865 N LEU A 59 -2.896 -8.465 -6.071 1.00 0.00 N ATOM 866 CA LEU A 59 -1.986 -7.365 -5.800 1.00 0.00 C ATOM 867 C LEU A 59 -0.601 -7.706 -6.354 1.00 0.00 C ATOM 868 O LEU A 59 0.022 -6.886 -7.026 1.00 0.00 O ATOM 869 CB LEU A 59 -1.985 -7.025 -4.308 1.00 0.00 C ATOM 870 CG LEU A 59 -3.359 -6.896 -3.648 1.00 0.00 C ATOM 871 CD1 LEU A 59 -3.228 -6.765 -2.130 1.00 0.00 C ATOM 872 CD2 LEU A 59 -4.153 -5.738 -4.257 1.00 0.00 C ATOM 0 H LEU A 59 -3.216 -8.967 -5.243 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.320 -6.461 -6.309 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.422 -7.795 -3.781 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.448 -6.086 -4.170 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.920 -7.810 -3.845 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.219 -6.675 -1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.730 -7.648 -1.730 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.641 -5.878 -1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.126 -5.668 -3.770 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.607 -4.806 -4.112 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.293 -5.914 -5.324 1.00 0.00 H new ATOM 884 N SER A 60 -0.161 -8.919 -6.052 1.00 0.00 N ATOM 885 CA SER A 60 1.139 -9.379 -6.512 1.00 0.00 C ATOM 886 C SER A 60 1.239 -9.230 -8.032 1.00 0.00 C ATOM 887 O SER A 60 2.328 -9.038 -8.569 1.00 0.00 O ATOM 888 CB SER A 60 1.384 -10.833 -6.104 1.00 0.00 C ATOM 889 OG SER A 60 2.447 -11.424 -6.847 1.00 0.00 O ATOM 0 H SER A 60 -0.681 -9.597 -5.495 1.00 0.00 H new ATOM 0 HA SER A 60 1.906 -8.764 -6.042 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.617 -10.877 -5.040 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.472 -11.410 -6.254 1.00 0.00 H new ATOM 0 HG SER A 60 2.573 -12.351 -6.556 1.00 0.00 H new ATOM 895 N GLN A 61 0.088 -9.324 -8.681 1.00 0.00 N ATOM 896 CA GLN A 61 0.032 -9.203 -10.127 1.00 0.00 C ATOM 897 C GLN A 61 0.266 -7.750 -10.547 1.00 0.00 C ATOM 898 O GLN A 61 0.975 -7.487 -11.518 1.00 0.00 O ATOM 899 CB GLN A 61 -1.300 -9.723 -10.671 1.00 0.00 C ATOM 900 CG GLN A 61 -1.328 -11.252 -10.682 1.00 0.00 C ATOM 901 CD GLN A 61 -0.641 -11.804 -11.933 1.00 0.00 C ATOM 902 OE1 GLN A 61 0.572 -11.791 -12.063 1.00 0.00 O ATOM 903 NE2 GLN A 61 -1.482 -12.288 -12.843 1.00 0.00 N ATOM 0 H GLN A 61 -0.814 -9.483 -8.231 1.00 0.00 H new ATOM 0 HA GLN A 61 0.825 -9.817 -10.554 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.119 -9.345 -10.059 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -1.456 -9.346 -11.682 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.831 -11.635 -9.791 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.360 -11.601 -10.646 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -2.487 -12.268 -12.670 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.122 -12.679 -13.713 1.00 0.00 H new ATOM 912 N LEU A 62 -0.343 -6.845 -9.796 1.00 0.00 N ATOM 913 CA LEU A 62 -0.210 -5.426 -10.078 1.00 0.00 C ATOM 914 C LEU A 62 1.275 -5.066 -10.172 1.00 0.00 C ATOM 915 O LEU A 62 2.068 -5.462 -9.321 1.00 0.00 O ATOM 916 CB LEU A 62 -0.978 -4.600 -9.044 1.00 0.00 C ATOM 917 CG LEU A 62 -2.414 -5.046 -8.762 1.00 0.00 C ATOM 918 CD1 LEU A 62 -3.111 -4.078 -7.804 1.00 0.00 C ATOM 919 CD2 LEU A 62 -3.197 -5.229 -10.063 1.00 0.00 C ATOM 0 H LEU A 62 -0.930 -7.067 -8.992 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.659 -5.186 -11.042 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.422 -4.620 -8.107 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.000 -3.563 -9.380 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.379 -6.017 -8.269 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.130 -4.418 -7.620 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.565 -4.043 -6.861 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.135 -3.082 -8.247 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.214 -5.546 -9.834 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.225 -4.285 -10.607 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.710 -5.987 -10.677 1.00 0.00 H new ATOM 931 N ASP A 63 1.604 -4.319 -11.216 1.00 0.00 N ATOM 932 CA ASP A 63 2.979 -3.902 -11.433 1.00 0.00 C ATOM 933 C ASP A 63 3.589 -3.458 -10.102 1.00 0.00 C ATOM 934 O ASP A 63 3.018 -2.624 -9.401 1.00 0.00 O ATOM 935 CB ASP A 63 3.049 -2.720 -12.402 1.00 0.00 C ATOM 936 CG ASP A 63 3.958 -2.932 -13.615 1.00 0.00 C ATOM 937 OD1 ASP A 63 3.435 -3.428 -14.636 1.00 0.00 O ATOM 938 OD2 ASP A 63 5.155 -2.592 -13.493 1.00 0.00 O ATOM 0 H ASP A 63 0.943 -3.992 -11.920 1.00 0.00 H new ATOM 0 HA ASP A 63 3.525 -4.747 -11.853 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.042 -2.499 -12.756 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.395 -1.842 -11.856 1.00 0.00 H new ATOM 943 N ARG A 64 4.740 -4.036 -9.793 1.00 0.00 N ATOM 944 CA ARG A 64 5.434 -3.710 -8.559 1.00 0.00 C ATOM 945 C ARG A 64 5.742 -2.213 -8.502 1.00 0.00 C ATOM 946 O ARG A 64 5.588 -1.583 -7.457 1.00 0.00 O ATOM 947 CB ARG A 64 6.740 -4.498 -8.436 1.00 0.00 C ATOM 948 CG ARG A 64 6.464 -5.976 -8.149 1.00 0.00 C ATOM 949 CD ARG A 64 7.289 -6.466 -6.957 1.00 0.00 C ATOM 950 NE ARG A 64 8.704 -6.634 -7.356 1.00 0.00 N ATOM 951 CZ ARG A 64 9.190 -7.729 -7.958 1.00 0.00 C ATOM 952 NH1 ARG A 64 8.378 -8.758 -8.232 1.00 0.00 N ATOM 953 NH2 ARG A 64 10.488 -7.794 -8.284 1.00 0.00 N ATOM 0 H ARG A 64 5.210 -4.729 -10.376 1.00 0.00 H new ATOM 0 HA ARG A 64 4.780 -3.981 -7.730 1.00 0.00 H new ATOM 0 HB2 ARG A 64 7.314 -4.404 -9.358 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.349 -4.076 -7.637 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.403 -6.119 -7.945 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.702 -6.572 -9.030 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.216 -5.753 -6.136 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.890 -7.413 -6.593 1.00 0.00 H new ATOM 0 HE ARG A 64 9.350 -5.869 -7.161 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.390 -8.709 -7.983 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.747 -9.591 -8.690 1.00 0.00 H new ATOM 0 HH21 ARG A 64 11.106 -7.010 -8.074 1.00 0.00 H new ATOM 0 HH22 ARG A 64 10.858 -8.627 -8.742 1.00 0.00 H new ATOM 967 N ASN A 65 6.174 -1.687 -9.639 1.00 0.00 N ATOM 968 CA ASN A 65 6.505 -0.275 -9.732 1.00 0.00 C ATOM 969 C ASN A 65 5.380 0.462 -10.462 1.00 0.00 C ATOM 970 O ASN A 65 5.629 1.179 -11.429 1.00 0.00 O ATOM 971 CB ASN A 65 7.799 -0.064 -10.521 1.00 0.00 C ATOM 972 CG ASN A 65 7.639 -0.529 -11.970 1.00 0.00 C ATOM 973 OD1 ASN A 65 6.615 -1.058 -12.370 1.00 0.00 O ATOM 974 ND2 ASN A 65 8.706 -0.302 -12.731 1.00 0.00 N ATOM 0 H ASN A 65 6.302 -2.213 -10.503 1.00 0.00 H new ATOM 0 HA ASN A 65 6.633 0.109 -8.720 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.073 0.991 -10.502 1.00 0.00 H new ATOM 0 HB3 ASN A 65 8.612 -0.613 -10.047 1.00 0.00 H new ATOM 0 HD21 ASN A 65 8.699 -0.575 -13.714 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.531 0.145 -12.332 1.00 0.00 H new ATOM 981 N LEU A 66 4.167 0.259 -9.970 1.00 0.00 N ATOM 982 CA LEU A 66 3.003 0.895 -10.563 1.00 0.00 C ATOM 983 C LEU A 66 2.935 2.353 -10.105 1.00 0.00 C ATOM 984 O LEU A 66 3.206 2.655 -8.943 1.00 0.00 O ATOM 985 CB LEU A 66 1.738 0.093 -10.253 1.00 0.00 C ATOM 986 CG LEU A 66 0.483 0.492 -11.033 1.00 0.00 C ATOM 987 CD1 LEU A 66 0.175 -0.524 -12.134 1.00 0.00 C ATOM 988 CD2 LEU A 66 -0.706 0.695 -10.091 1.00 0.00 C ATOM 0 H LEU A 66 3.965 -0.337 -9.167 1.00 0.00 H new ATOM 0 HA LEU A 66 3.087 0.906 -11.650 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.943 -0.960 -10.447 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.525 0.186 -9.188 1.00 0.00 H new ATOM 0 HG LEU A 66 0.674 1.447 -11.522 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.721 -0.216 -12.673 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.015 -0.576 -12.827 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.012 -1.505 -11.688 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.585 0.978 -10.670 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.908 -0.232 -9.555 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.473 1.484 -9.376 1.00 0.00 H new ATOM 1000 N ASP A 67 2.571 3.218 -11.040 1.00 0.00 N ATOM 1001 CA ASP A 67 2.464 4.637 -10.746 1.00 0.00 C ATOM 1002 C ASP A 67 0.990 5.004 -10.556 1.00 0.00 C ATOM 1003 O ASP A 67 0.105 4.204 -10.853 1.00 0.00 O ATOM 1004 CB ASP A 67 3.017 5.481 -11.896 1.00 0.00 C ATOM 1005 CG ASP A 67 2.882 6.994 -11.711 1.00 0.00 C ATOM 1006 OD1 ASP A 67 3.333 7.478 -10.651 1.00 0.00 O ATOM 1007 OD2 ASP A 67 2.331 7.631 -12.634 1.00 0.00 O ATOM 0 H ASP A 67 2.346 2.964 -12.002 1.00 0.00 H new ATOM 0 HA ASP A 67 3.039 4.839 -9.842 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.071 5.239 -12.030 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.505 5.195 -12.815 1.00 0.00 H new ATOM 1012 N ARG A 68 0.774 6.214 -10.062 1.00 0.00 N ATOM 1013 CA ARG A 68 -0.576 6.697 -9.829 1.00 0.00 C ATOM 1014 C ARG A 68 -0.985 7.681 -10.927 1.00 0.00 C ATOM 1015 O ARG A 68 -2.013 7.498 -11.578 1.00 0.00 O ATOM 1016 CB ARG A 68 -0.687 7.387 -8.468 1.00 0.00 C ATOM 1017 CG ARG A 68 -0.615 6.368 -7.329 1.00 0.00 C ATOM 1018 CD ARG A 68 -1.466 6.816 -6.139 1.00 0.00 C ATOM 1019 NE ARG A 68 -0.605 7.430 -5.104 1.00 0.00 N ATOM 1020 CZ ARG A 68 -0.242 8.720 -5.097 1.00 0.00 C ATOM 1021 NH1 ARG A 68 -0.663 9.539 -6.070 1.00 0.00 N ATOM 1022 NH2 ARG A 68 0.542 9.191 -4.118 1.00 0.00 N ATOM 0 H ARG A 68 1.512 6.874 -9.817 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.243 5.835 -9.842 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.116 8.116 -8.360 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.627 7.936 -8.410 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.961 5.397 -7.683 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.421 6.242 -7.013 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.219 7.532 -6.469 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.999 5.962 -5.721 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.267 6.834 -4.349 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.260 9.181 -6.816 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -0.387 10.521 -6.065 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.863 8.568 -3.377 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.818 10.173 -4.113 1.00 0.00 H new ATOM 1036 N GLU A 69 -0.159 8.702 -11.100 1.00 0.00 N ATOM 1037 CA GLU A 69 -0.422 9.715 -12.108 1.00 0.00 C ATOM 1038 C GLU A 69 0.644 9.662 -13.204 1.00 0.00 C ATOM 1039 O GLU A 69 1.802 10.003 -12.966 1.00 0.00 O ATOM 1040 CB GLU A 69 -0.494 11.108 -11.480 1.00 0.00 C ATOM 1041 CG GLU A 69 -1.051 12.129 -12.474 1.00 0.00 C ATOM 1042 CD GLU A 69 -1.783 13.259 -11.747 1.00 0.00 C ATOM 1043 OE1 GLU A 69 -2.532 12.934 -10.800 1.00 0.00 O ATOM 1044 OE2 GLU A 69 -1.577 14.423 -12.154 1.00 0.00 O ATOM 0 H GLU A 69 0.693 8.850 -10.559 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.391 9.506 -12.561 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.125 11.078 -10.592 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.500 11.416 -11.155 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.238 12.542 -13.070 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.733 11.634 -13.165 1.00 0.00 H new ATOM 1051 N MET A 70 0.215 9.232 -14.382 1.00 0.00 N ATOM 1052 CA MET A 70 1.119 9.130 -15.515 1.00 0.00 C ATOM 1053 C MET A 70 0.682 10.059 -16.650 1.00 0.00 C ATOM 1054 O MET A 70 0.215 9.598 -17.690 1.00 0.00 O ATOM 1055 CB MET A 70 1.145 7.686 -16.019 1.00 0.00 C ATOM 1056 CG MET A 70 2.556 7.282 -16.453 1.00 0.00 C ATOM 1057 SD MET A 70 2.486 6.375 -17.989 1.00 0.00 S ATOM 1058 CE MET A 70 3.085 4.786 -17.438 1.00 0.00 C ATOM 0 H MET A 70 -0.746 8.950 -14.576 1.00 0.00 H new ATOM 0 HA MET A 70 2.115 9.428 -15.189 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.797 7.016 -15.233 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.458 7.577 -16.858 1.00 0.00 H new ATOM 0 HG2 MET A 70 3.177 8.170 -16.573 1.00 0.00 H new ATOM 0 HG3 MET A 70 3.022 6.670 -15.681 1.00 0.00 H new ATOM 0 HE1 MET A 70 3.105 4.093 -18.279 1.00 0.00 H new ATOM 0 HE2 MET A 70 4.091 4.897 -17.034 1.00 0.00 H new ATOM 0 HE3 MET A 70 2.424 4.397 -16.663 1.00 0.00 H new ATOM 1068 N ASN A 71 0.850 11.352 -16.411 1.00 0.00 N ATOM 1069 CA ASN A 71 0.478 12.350 -17.400 1.00 0.00 C ATOM 1070 C ASN A 71 -0.842 11.944 -18.057 1.00 0.00 C ATOM 1071 O ASN A 71 -1.606 12.798 -18.503 1.00 0.00 O ATOM 1072 CB ASN A 71 1.539 12.459 -18.497 1.00 0.00 C ATOM 1073 CG ASN A 71 1.003 13.234 -19.703 1.00 0.00 C ATOM 1074 OD1 ASN A 71 0.601 12.669 -20.706 1.00 0.00 O ATOM 1075 ND2 ASN A 71 1.020 14.554 -19.548 1.00 0.00 N ATOM 0 H ASN A 71 1.238 11.731 -15.547 1.00 0.00 H new ATOM 0 HA ASN A 71 0.384 13.310 -16.892 1.00 0.00 H new ATOM 0 HB2 ASN A 71 2.424 12.959 -18.103 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.848 11.462 -18.809 1.00 0.00 H new ATOM 0 HD21 ASN A 71 0.683 15.160 -20.296 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.370 14.961 -18.681 1.00 0.00 H new TER 1082 ASN A 71