USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 542 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 21 MET CE :methyl 173:sc= -0.823 (180deg=-0.689) USER MOD Set 1.2: A 26 CYS SG : rot -5:sc= -4.78! USER MOD Single : A 1 MET CE :methyl -168:sc= -0.186 (180deg=-0.526) USER MOD Single : A 1 MET N :NH3+ -127:sc= 1.24 (180deg=0.974) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0103 USER MOD Single : A 6 ASN : amide:sc= -0.11 K(o=-0.11,f=-1.2) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 160:sc= 0.009 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 81:sc= 0.846 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 32:sc= 0.15 USER MOD Single : A 36 ASN : amide:sc= 0.306 K(o=0.31,f=-5.6!) USER MOD Single : A 37 TYR OH : rot 68:sc= 0.589 USER MOD Single : A 44 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.129) USER MOD Single : A 48 THR OG1 : rot 73:sc= 1.08 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 42:sc= 0.645 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 HIS : no HE2:sc= 0.161 K(o=0.16,f=-0.67) USER MOD Single : A 70 HIS : no HE2:sc= -2.08! C(o=-2.1!,f=-6.2!) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.0058) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.00078) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.083 10.852 -0.386 1.00 0.00 N ATOM 2 CA MET A 1 6.669 10.580 -1.715 1.00 0.00 C ATOM 3 C MET A 1 5.586 10.156 -2.721 1.00 0.00 C ATOM 4 O MET A 1 4.450 9.854 -2.331 1.00 0.00 O ATOM 5 CB MET A 1 7.769 9.497 -1.603 1.00 0.00 C ATOM 6 CG MET A 1 7.275 8.098 -1.201 1.00 0.00 C ATOM 7 SD MET A 1 6.470 8.061 0.413 1.00 0.00 S ATOM 8 CE MET A 1 6.224 6.300 0.611 1.00 0.00 C ATOM 0 H1 MET A 1 6.374 11.798 -0.065 1.00 0.00 H new ATOM 0 H2 MET A 1 5.046 10.812 -0.449 1.00 0.00 H new ATOM 0 H3 MET A 1 6.417 10.138 0.293 1.00 0.00 H new ATOM 0 HA MET A 1 7.122 11.500 -2.084 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.281 9.422 -2.562 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.508 9.827 -0.873 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.577 7.736 -1.956 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.121 7.410 -1.193 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.553 6.119 1.450 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.787 5.889 -0.299 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.183 5.818 0.803 1.00 0.00 H new ATOM 20 N LEU A 2 5.959 10.127 -4.017 1.00 0.00 N ATOM 21 CA LEU A 2 5.071 9.704 -5.107 1.00 0.00 C ATOM 22 C LEU A 2 5.151 8.173 -5.270 1.00 0.00 C ATOM 23 O LEU A 2 6.247 7.612 -5.383 1.00 0.00 O ATOM 24 CB LEU A 2 5.466 10.410 -6.440 1.00 0.00 C ATOM 25 CG LEU A 2 4.500 10.171 -7.643 1.00 0.00 C ATOM 26 CD1 LEU A 2 3.108 10.737 -7.341 1.00 0.00 C ATOM 27 CD2 LEU A 2 5.067 10.762 -8.945 1.00 0.00 C ATOM 0 H LEU A 2 6.890 10.399 -4.333 1.00 0.00 H new ATOM 0 HA LEU A 2 4.048 9.988 -4.862 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.530 11.483 -6.257 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.463 10.075 -6.726 1.00 0.00 H new ATOM 0 HG LEU A 2 4.406 9.095 -7.787 1.00 0.00 H new ATOM 0 HD11 LEU A 2 2.451 10.560 -8.192 1.00 0.00 H new ATOM 0 HD12 LEU A 2 2.699 10.246 -6.458 1.00 0.00 H new ATOM 0 HD13 LEU A 2 3.183 11.809 -7.157 1.00 0.00 H new ATOM 0 HD21 LEU A 2 4.370 10.578 -9.762 1.00 0.00 H new ATOM 0 HD22 LEU A 2 5.210 11.836 -8.825 1.00 0.00 H new ATOM 0 HD23 LEU A 2 6.024 10.292 -9.172 1.00 0.00 H new ATOM 39 N VAL A 3 3.985 7.517 -5.257 1.00 0.00 N ATOM 40 CA VAL A 3 3.844 6.048 -5.420 1.00 0.00 C ATOM 41 C VAL A 3 2.645 5.750 -6.356 1.00 0.00 C ATOM 42 O VAL A 3 1.607 6.398 -6.239 1.00 0.00 O ATOM 43 CB VAL A 3 3.639 5.336 -4.024 1.00 0.00 C ATOM 44 CG1 VAL A 3 4.919 5.386 -3.167 1.00 0.00 C ATOM 45 CG2 VAL A 3 2.449 5.949 -3.262 1.00 0.00 C ATOM 0 H VAL A 3 3.091 7.992 -5.131 1.00 0.00 H new ATOM 0 HA VAL A 3 4.760 5.655 -5.861 1.00 0.00 H new ATOM 0 HB VAL A 3 3.416 4.288 -4.223 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.739 4.887 -2.215 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.729 4.882 -3.694 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.195 6.425 -2.985 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.329 5.441 -2.305 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.634 7.009 -3.090 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.540 5.831 -3.851 1.00 0.00 H new ATOM 55 N THR A 4 2.788 4.784 -7.286 1.00 0.00 N ATOM 56 CA THR A 4 1.720 4.439 -8.239 1.00 0.00 C ATOM 57 C THR A 4 0.663 3.567 -7.545 1.00 0.00 C ATOM 58 O THR A 4 0.823 2.355 -7.440 1.00 0.00 O ATOM 59 CB THR A 4 2.304 3.699 -9.491 1.00 0.00 C ATOM 60 OG1 THR A 4 3.379 4.462 -10.056 1.00 0.00 O ATOM 61 CG2 THR A 4 1.245 3.458 -10.571 1.00 0.00 C ATOM 0 H THR A 4 3.637 4.229 -7.395 1.00 0.00 H new ATOM 0 HA THR A 4 1.251 5.361 -8.583 1.00 0.00 H new ATOM 0 HB THR A 4 2.664 2.729 -9.147 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.739 3.992 -10.837 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.699 2.943 -11.417 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.441 2.846 -10.162 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.840 4.414 -10.903 1.00 0.00 H new ATOM 69 N ILE A 5 -0.431 4.186 -7.093 1.00 0.00 N ATOM 70 CA ILE A 5 -1.502 3.473 -6.371 1.00 0.00 C ATOM 71 C ILE A 5 -2.596 3.052 -7.368 1.00 0.00 C ATOM 72 O ILE A 5 -3.371 3.890 -7.843 1.00 0.00 O ATOM 73 CB ILE A 5 -2.119 4.315 -5.177 1.00 0.00 C ATOM 74 CG1 ILE A 5 -0.994 4.697 -4.168 1.00 0.00 C ATOM 75 CG2 ILE A 5 -3.280 3.556 -4.460 1.00 0.00 C ATOM 76 CD1 ILE A 5 -1.443 5.487 -2.947 1.00 0.00 C ATOM 0 H ILE A 5 -0.604 5.184 -7.212 1.00 0.00 H new ATOM 0 HA ILE A 5 -1.056 2.590 -5.913 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.552 5.225 -5.594 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.510 3.781 -3.828 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.239 5.279 -4.697 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.671 4.171 -3.650 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.076 3.349 -5.175 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.904 2.617 -4.054 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.582 5.699 -2.314 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.897 6.425 -3.267 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.172 4.904 -2.385 1.00 0.00 H new ATOM 88 N ASN A 6 -2.605 1.739 -7.703 1.00 0.00 N ATOM 89 CA ASN A 6 -3.626 1.097 -8.559 1.00 0.00 C ATOM 90 C ASN A 6 -3.626 1.708 -9.983 1.00 0.00 C ATOM 91 O ASN A 6 -4.665 1.831 -10.632 1.00 0.00 O ATOM 92 CB ASN A 6 -5.024 1.185 -7.865 1.00 0.00 C ATOM 93 CG ASN A 6 -6.096 0.289 -8.495 1.00 0.00 C ATOM 94 OD1 ASN A 6 -5.807 -0.796 -9.004 1.00 0.00 O ATOM 95 ND2 ASN A 6 -7.344 0.729 -8.446 1.00 0.00 N ATOM 0 H ASN A 6 -1.890 1.088 -7.379 1.00 0.00 H new ATOM 0 HA ASN A 6 -3.383 0.042 -8.683 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -4.913 0.916 -6.815 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -5.367 2.219 -7.895 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -8.099 0.165 -8.836 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -7.550 1.632 -8.018 1.00 0.00 H new ATOM 102 N GLY A 7 -2.419 2.054 -10.465 1.00 0.00 N ATOM 103 CA GLY A 7 -2.246 2.673 -11.784 1.00 0.00 C ATOM 104 C GLY A 7 -2.475 4.175 -11.783 1.00 0.00 C ATOM 105 O GLY A 7 -2.557 4.793 -12.846 1.00 0.00 O ATOM 0 H GLY A 7 -1.547 1.913 -9.955 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.238 2.467 -12.144 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.937 2.209 -12.488 1.00 0.00 H new ATOM 109 N GLU A 8 -2.575 4.762 -10.581 1.00 0.00 N ATOM 110 CA GLU A 8 -2.735 6.206 -10.388 1.00 0.00 C ATOM 111 C GLU A 8 -1.700 6.691 -9.357 1.00 0.00 C ATOM 112 O GLU A 8 -1.814 6.382 -8.171 1.00 0.00 O ATOM 113 CB GLU A 8 -4.182 6.527 -9.919 1.00 0.00 C ATOM 114 CG GLU A 8 -4.429 8.017 -9.623 1.00 0.00 C ATOM 115 CD GLU A 8 -5.839 8.295 -9.103 1.00 0.00 C ATOM 116 OE1 GLU A 8 -6.774 8.410 -9.919 1.00 0.00 O ATOM 117 OE2 GLU A 8 -6.026 8.370 -7.867 1.00 0.00 O ATOM 0 H GLU A 8 -2.546 4.238 -9.706 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.567 6.727 -11.331 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.883 6.199 -10.687 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.399 5.948 -9.021 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.702 8.361 -8.888 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.262 8.595 -10.532 1.00 0.00 H new ATOM 124 N GLN A 9 -0.690 7.436 -9.828 1.00 0.00 N ATOM 125 CA GLN A 9 0.383 7.983 -8.979 1.00 0.00 C ATOM 126 C GLN A 9 -0.193 9.014 -7.975 1.00 0.00 C ATOM 127 O GLN A 9 -0.786 10.015 -8.381 1.00 0.00 O ATOM 128 CB GLN A 9 1.473 8.632 -9.869 1.00 0.00 C ATOM 129 CG GLN A 9 2.232 7.642 -10.776 1.00 0.00 C ATOM 130 CD GLN A 9 3.235 8.323 -11.705 1.00 0.00 C ATOM 131 OE1 GLN A 9 3.033 9.459 -12.137 1.00 0.00 O ATOM 132 NE2 GLN A 9 4.316 7.637 -12.035 1.00 0.00 N ATOM 0 H GLN A 9 -0.592 7.679 -10.814 1.00 0.00 H new ATOM 0 HA GLN A 9 0.834 7.172 -8.407 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.007 9.394 -10.494 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.192 9.142 -9.227 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.757 6.918 -10.153 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.513 7.084 -11.375 1.00 0.00 H new ATOM 0 HE21 GLN A 9 4.458 6.698 -11.662 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.008 8.047 -12.662 1.00 0.00 H new ATOM 141 N ARG A 10 -0.029 8.739 -6.675 1.00 0.00 N ATOM 142 CA ARG A 10 -0.566 9.575 -5.584 1.00 0.00 C ATOM 143 C ARG A 10 0.551 9.956 -4.606 1.00 0.00 C ATOM 144 O ARG A 10 1.583 9.277 -4.527 1.00 0.00 O ATOM 145 CB ARG A 10 -1.703 8.838 -4.839 1.00 0.00 C ATOM 146 CG ARG A 10 -2.908 8.481 -5.729 1.00 0.00 C ATOM 147 CD ARG A 10 -4.042 7.822 -4.944 1.00 0.00 C ATOM 148 NE ARG A 10 -4.604 8.724 -3.924 1.00 0.00 N ATOM 149 CZ ARG A 10 -5.701 9.498 -4.083 1.00 0.00 C ATOM 150 NH1 ARG A 10 -6.369 9.521 -5.242 1.00 0.00 N ATOM 151 NH2 ARG A 10 -6.100 10.279 -3.084 1.00 0.00 N ATOM 0 H ARG A 10 0.485 7.923 -6.343 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.976 10.486 -6.020 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.303 7.923 -4.402 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.046 9.462 -4.014 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.281 9.385 -6.209 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.582 7.809 -6.523 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.830 7.517 -5.632 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.672 6.917 -4.463 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.126 8.768 -3.024 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.053 8.948 -6.024 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.195 10.111 -5.343 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.580 10.291 -2.207 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.926 10.866 -3.195 1.00 0.00 H new ATOM 165 N GLU A 11 0.318 11.042 -3.863 1.00 0.00 N ATOM 166 CA GLU A 11 1.269 11.594 -2.885 1.00 0.00 C ATOM 167 C GLU A 11 0.905 11.103 -1.471 1.00 0.00 C ATOM 168 O GLU A 11 -0.156 11.442 -0.934 1.00 0.00 O ATOM 169 CB GLU A 11 1.254 13.149 -2.969 1.00 0.00 C ATOM 170 CG GLU A 11 2.058 13.882 -1.867 1.00 0.00 C ATOM 171 CD GLU A 11 3.532 13.453 -1.795 1.00 0.00 C ATOM 172 OE1 GLU A 11 4.320 13.835 -2.677 1.00 0.00 O ATOM 173 OE2 GLU A 11 3.909 12.725 -0.859 1.00 0.00 O ATOM 0 H GLU A 11 -0.551 11.573 -3.923 1.00 0.00 H new ATOM 0 HA GLU A 11 2.278 11.249 -3.111 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.647 13.447 -3.941 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.219 13.488 -2.926 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.009 14.956 -2.046 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.587 13.698 -0.901 1.00 0.00 H new ATOM 180 N VAL A 12 1.792 10.287 -0.887 1.00 0.00 N ATOM 181 CA VAL A 12 1.623 9.723 0.468 1.00 0.00 C ATOM 182 C VAL A 12 2.785 10.155 1.393 1.00 0.00 C ATOM 183 O VAL A 12 3.910 10.325 0.937 1.00 0.00 O ATOM 184 CB VAL A 12 1.515 8.145 0.424 1.00 0.00 C ATOM 185 CG1 VAL A 12 0.314 7.686 -0.435 1.00 0.00 C ATOM 186 CG2 VAL A 12 2.822 7.488 -0.054 1.00 0.00 C ATOM 0 H VAL A 12 2.657 9.994 -1.342 1.00 0.00 H new ATOM 0 HA VAL A 12 0.691 10.116 0.874 1.00 0.00 H new ATOM 0 HB VAL A 12 1.343 7.811 1.447 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.268 6.597 -0.444 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.609 8.084 -0.013 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.434 8.053 -1.454 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.701 6.405 -0.068 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.060 7.840 -1.058 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.632 7.754 0.625 1.00 0.00 H new ATOM 196 N GLN A 13 2.498 10.331 2.687 1.00 0.00 N ATOM 197 CA GLN A 13 3.519 10.675 3.717 1.00 0.00 C ATOM 198 C GLN A 13 3.570 9.559 4.780 1.00 0.00 C ATOM 199 O GLN A 13 4.048 9.752 5.902 1.00 0.00 O ATOM 200 CB GLN A 13 3.187 12.055 4.351 1.00 0.00 C ATOM 201 CG GLN A 13 1.763 12.184 4.915 1.00 0.00 C ATOM 202 CD GLN A 13 1.469 13.556 5.517 1.00 0.00 C ATOM 203 OE1 GLN A 13 1.024 14.478 4.828 1.00 0.00 O ATOM 204 NE2 GLN A 13 1.704 13.701 6.808 1.00 0.00 N ATOM 0 H GLN A 13 1.554 10.242 3.063 1.00 0.00 H new ATOM 0 HA GLN A 13 4.503 10.751 3.255 1.00 0.00 H new ATOM 0 HB2 GLN A 13 3.899 12.250 5.153 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.335 12.829 3.598 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.046 11.984 4.119 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.613 11.421 5.679 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.072 12.919 7.350 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.517 14.595 7.263 1.00 0.00 H new ATOM 213 N SER A 14 3.107 8.380 4.369 1.00 0.00 N ATOM 214 CA SER A 14 2.990 7.193 5.205 1.00 0.00 C ATOM 215 C SER A 14 4.345 6.515 5.452 1.00 0.00 C ATOM 216 O SER A 14 4.670 6.169 6.596 1.00 0.00 O ATOM 217 CB SER A 14 2.011 6.238 4.508 1.00 0.00 C ATOM 218 OG SER A 14 2.390 5.966 3.160 1.00 0.00 O ATOM 0 H SER A 14 2.793 8.222 3.411 1.00 0.00 H new ATOM 0 HA SER A 14 2.620 7.476 6.191 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.960 5.302 5.065 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.011 6.672 4.522 1.00 0.00 H new ATOM 0 HG SER A 14 1.957 5.140 2.859 1.00 0.00 H new ATOM 224 N ALA A 15 5.096 6.281 4.351 1.00 0.00 N ATOM 225 CA ALA A 15 6.444 5.640 4.363 1.00 0.00 C ATOM 226 C ALA A 15 6.420 4.143 4.786 1.00 0.00 C ATOM 227 O ALA A 15 7.473 3.493 4.807 1.00 0.00 O ATOM 228 CB ALA A 15 7.437 6.445 5.227 1.00 0.00 C ATOM 0 H ALA A 15 4.784 6.533 3.413 1.00 0.00 H new ATOM 0 HA ALA A 15 6.789 5.654 3.329 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.410 5.954 5.216 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.535 7.453 4.824 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.068 6.498 6.251 1.00 0.00 H new ATOM 234 N SER A 16 5.213 3.610 5.077 1.00 0.00 N ATOM 235 CA SER A 16 4.981 2.216 5.513 1.00 0.00 C ATOM 236 C SER A 16 3.564 1.806 5.138 1.00 0.00 C ATOM 237 O SER A 16 2.688 2.665 5.059 1.00 0.00 O ATOM 238 CB SER A 16 5.172 2.057 7.035 1.00 0.00 C ATOM 239 OG SER A 16 6.456 2.474 7.449 1.00 0.00 O ATOM 0 H SER A 16 4.351 4.152 5.013 1.00 0.00 H new ATOM 0 HA SER A 16 5.710 1.577 5.014 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.414 2.639 7.559 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.021 1.014 7.313 1.00 0.00 H new ATOM 0 HG SER A 16 6.540 2.360 8.419 1.00 0.00 H new ATOM 245 N VAL A 17 3.356 0.494 4.947 1.00 0.00 N ATOM 246 CA VAL A 17 2.094 -0.074 4.435 1.00 0.00 C ATOM 247 C VAL A 17 0.933 0.039 5.459 1.00 0.00 C ATOM 248 O VAL A 17 -0.223 0.227 5.060 1.00 0.00 O ATOM 249 CB VAL A 17 2.289 -1.568 3.990 1.00 0.00 C ATOM 250 CG1 VAL A 17 0.986 -2.172 3.436 1.00 0.00 C ATOM 251 CG2 VAL A 17 3.425 -1.700 2.960 1.00 0.00 C ATOM 0 H VAL A 17 4.065 -0.212 5.145 1.00 0.00 H new ATOM 0 HA VAL A 17 1.816 0.520 3.564 1.00 0.00 H new ATOM 0 HB VAL A 17 2.567 -2.132 4.880 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.162 -3.206 3.139 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.215 -2.142 4.206 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.658 -1.597 2.570 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.535 -2.745 2.672 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.188 -1.104 2.079 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.357 -1.344 3.399 1.00 0.00 H new ATOM 261 N ALA A 18 1.239 -0.076 6.769 1.00 0.00 N ATOM 262 CA ALA A 18 0.227 0.091 7.838 1.00 0.00 C ATOM 263 C ALA A 18 -0.271 1.537 7.866 1.00 0.00 C ATOM 264 O ALA A 18 -1.476 1.785 7.760 1.00 0.00 O ATOM 265 CB ALA A 18 0.797 -0.321 9.199 1.00 0.00 C ATOM 0 H ALA A 18 2.177 -0.283 7.113 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.619 -0.562 7.623 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.035 -0.189 9.967 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.101 -1.367 9.165 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.661 0.300 9.435 1.00 0.00 H new ATOM 271 N ALA A 19 0.689 2.477 7.954 1.00 0.00 N ATOM 272 CA ALA A 19 0.422 3.919 7.917 1.00 0.00 C ATOM 273 C ALA A 19 -0.281 4.322 6.610 1.00 0.00 C ATOM 274 O ALA A 19 -1.115 5.217 6.608 1.00 0.00 O ATOM 275 CB ALA A 19 1.736 4.685 8.082 1.00 0.00 C ATOM 0 H ALA A 19 1.678 2.250 8.053 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.248 4.172 8.739 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.538 5.757 8.055 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.192 4.424 9.037 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.416 4.421 7.272 1.00 0.00 H new ATOM 281 N LEU A 20 0.065 3.605 5.525 1.00 0.00 N ATOM 282 CA LEU A 20 -0.465 3.812 4.166 1.00 0.00 C ATOM 283 C LEU A 20 -1.969 3.596 4.107 1.00 0.00 C ATOM 284 O LEU A 20 -2.702 4.517 3.796 1.00 0.00 O ATOM 285 CB LEU A 20 0.251 2.841 3.209 1.00 0.00 C ATOM 286 CG LEU A 20 -0.196 2.816 1.727 1.00 0.00 C ATOM 287 CD1 LEU A 20 0.210 4.104 0.981 1.00 0.00 C ATOM 288 CD2 LEU A 20 0.353 1.557 1.045 1.00 0.00 C ATOM 0 H LEU A 20 0.741 2.843 5.572 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.279 4.844 3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.316 3.074 3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.136 1.834 3.609 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.285 2.780 1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.123 4.045 -0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.254 4.965 1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.294 4.214 1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.037 1.541 0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.442 1.562 1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.029 0.672 1.553 1.00 0.00 H new ATOM 300 N MET A 21 -2.416 2.381 4.460 1.00 0.00 N ATOM 301 CA MET A 21 -3.827 1.993 4.330 1.00 0.00 C ATOM 302 C MET A 21 -4.692 2.670 5.404 1.00 0.00 C ATOM 303 O MET A 21 -5.896 2.785 5.230 1.00 0.00 O ATOM 304 CB MET A 21 -3.964 0.450 4.340 1.00 0.00 C ATOM 305 CG MET A 21 -3.179 -0.251 3.209 1.00 0.00 C ATOM 306 SD MET A 21 -3.665 -1.967 2.964 1.00 0.00 S ATOM 307 CE MET A 21 -5.357 -1.799 2.394 1.00 0.00 C ATOM 0 H MET A 21 -1.817 1.648 4.839 1.00 0.00 H new ATOM 0 HA MET A 21 -4.201 2.346 3.369 1.00 0.00 H new ATOM 0 HB2 MET A 21 -3.617 0.070 5.301 1.00 0.00 H new ATOM 0 HB3 MET A 21 -5.018 0.187 4.255 1.00 0.00 H new ATOM 0 HG2 MET A 21 -3.327 0.298 2.279 1.00 0.00 H new ATOM 0 HG3 MET A 21 -2.114 -0.211 3.437 1.00 0.00 H new ATOM 0 HE1 MET A 21 -5.736 -2.774 2.087 1.00 0.00 H new ATOM 0 HE2 MET A 21 -5.976 -1.407 3.201 1.00 0.00 H new ATOM 0 HE3 MET A 21 -5.389 -1.114 1.547 1.00 0.00 H new ATOM 317 N THR A 22 -4.061 3.136 6.495 1.00 0.00 N ATOM 318 CA THR A 22 -4.715 4.016 7.482 1.00 0.00 C ATOM 319 C THR A 22 -4.939 5.427 6.872 1.00 0.00 C ATOM 320 O THR A 22 -6.010 6.024 7.019 1.00 0.00 O ATOM 321 CB THR A 22 -3.849 4.122 8.783 1.00 0.00 C ATOM 322 OG1 THR A 22 -3.643 2.813 9.323 1.00 0.00 O ATOM 323 CG2 THR A 22 -4.486 4.996 9.872 1.00 0.00 C ATOM 0 H THR A 22 -3.090 2.916 6.718 1.00 0.00 H new ATOM 0 HA THR A 22 -5.681 3.586 7.744 1.00 0.00 H new ATOM 0 HB THR A 22 -2.910 4.593 8.491 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.910 2.373 8.844 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.832 5.025 10.744 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.627 6.007 9.491 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.452 4.577 10.156 1.00 0.00 H new ATOM 331 N GLU A 23 -3.915 5.905 6.143 1.00 0.00 N ATOM 332 CA GLU A 23 -3.874 7.255 5.540 1.00 0.00 C ATOM 333 C GLU A 23 -4.843 7.365 4.346 1.00 0.00 C ATOM 334 O GLU A 23 -5.465 8.405 4.135 1.00 0.00 O ATOM 335 CB GLU A 23 -2.424 7.540 5.098 1.00 0.00 C ATOM 336 CG GLU A 23 -2.158 8.940 4.537 1.00 0.00 C ATOM 337 CD GLU A 23 -0.677 9.139 4.209 1.00 0.00 C ATOM 338 OE1 GLU A 23 0.109 9.455 5.122 1.00 0.00 O ATOM 339 OE2 GLU A 23 -0.283 8.945 3.050 1.00 0.00 O ATOM 0 H GLU A 23 -3.077 5.357 5.951 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.193 7.994 6.275 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.766 7.381 5.953 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.145 6.807 4.341 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.755 9.092 3.638 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.476 9.690 5.261 1.00 0.00 H new ATOM 346 N LEU A 24 -4.964 6.266 3.587 1.00 0.00 N ATOM 347 CA LEU A 24 -5.878 6.169 2.434 1.00 0.00 C ATOM 348 C LEU A 24 -7.322 5.885 2.904 1.00 0.00 C ATOM 349 O LEU A 24 -8.247 5.872 2.091 1.00 0.00 O ATOM 350 CB LEU A 24 -5.392 5.052 1.461 1.00 0.00 C ATOM 351 CG LEU A 24 -3.925 5.175 0.926 1.00 0.00 C ATOM 352 CD1 LEU A 24 -3.569 3.996 -0.001 1.00 0.00 C ATOM 353 CD2 LEU A 24 -3.674 6.524 0.234 1.00 0.00 C ATOM 0 H LEU A 24 -4.429 5.414 3.755 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.874 7.123 1.906 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.490 4.092 1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.066 5.030 0.605 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.264 5.133 1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.545 4.109 -0.357 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.661 3.060 0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.249 3.984 -0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.644 6.565 -0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.354 6.631 -0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.846 7.334 0.943 1.00 0.00 H new ATOM 365 N ASP A 25 -7.470 5.654 4.234 1.00 0.00 N ATOM 366 CA ASP A 25 -8.746 5.311 4.909 1.00 0.00 C ATOM 367 C ASP A 25 -9.267 3.922 4.435 1.00 0.00 C ATOM 368 O ASP A 25 -10.440 3.586 4.567 1.00 0.00 O ATOM 369 CB ASP A 25 -9.804 6.453 4.719 1.00 0.00 C ATOM 370 CG ASP A 25 -11.044 6.310 5.624 1.00 0.00 C ATOM 371 OD1 ASP A 25 -10.903 6.426 6.861 1.00 0.00 O ATOM 372 OD2 ASP A 25 -12.157 6.050 5.115 1.00 0.00 O ATOM 0 H ASP A 25 -6.684 5.703 4.882 1.00 0.00 H new ATOM 0 HA ASP A 25 -8.564 5.229 5.981 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.328 7.413 4.919 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -10.126 6.468 3.678 1.00 0.00 H new ATOM 377 N CYS A 26 -8.328 3.090 3.971 1.00 0.00 N ATOM 378 CA CYS A 26 -8.598 1.766 3.391 1.00 0.00 C ATOM 379 C CYS A 26 -8.517 0.647 4.466 1.00 0.00 C ATOM 380 O CYS A 26 -8.111 -0.485 4.176 1.00 0.00 O ATOM 381 CB CYS A 26 -7.584 1.531 2.245 1.00 0.00 C ATOM 382 SG CYS A 26 -7.924 0.070 1.254 1.00 0.00 S ATOM 0 H CYS A 26 -7.335 3.322 3.988 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.614 1.734 2.996 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.578 2.405 1.594 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -6.584 1.444 2.671 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.929 -0.577 1.766 1.00 0.00 H new ATOM 388 N THR A 27 -8.932 0.959 5.705 1.00 0.00 N ATOM 389 CA THR A 27 -8.973 -0.012 6.834 1.00 0.00 C ATOM 390 C THR A 27 -10.419 -0.184 7.345 1.00 0.00 C ATOM 391 O THR A 27 -10.645 -0.769 8.408 1.00 0.00 O ATOM 392 CB THR A 27 -8.021 0.451 7.999 1.00 0.00 C ATOM 393 OG1 THR A 27 -8.290 1.830 8.318 1.00 0.00 O ATOM 394 CG2 THR A 27 -6.522 0.290 7.647 1.00 0.00 C ATOM 0 H THR A 27 -9.252 1.893 5.962 1.00 0.00 H new ATOM 0 HA THR A 27 -8.620 -0.978 6.471 1.00 0.00 H new ATOM 0 HB THR A 27 -8.224 -0.191 8.856 1.00 0.00 H new ATOM 0 HG1 THR A 27 -7.699 2.119 9.044 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.913 0.625 8.487 1.00 0.00 H new ATOM 0 HG22 THR A 27 -6.308 -0.758 7.438 1.00 0.00 H new ATOM 0 HG23 THR A 27 -6.288 0.890 6.768 1.00 0.00 H new ATOM 402 N ASP A 28 -11.394 0.270 6.539 1.00 0.00 N ATOM 403 CA ASP A 28 -12.829 0.275 6.906 1.00 0.00 C ATOM 404 C ASP A 28 -13.503 -1.108 6.706 1.00 0.00 C ATOM 405 O ASP A 28 -14.698 -1.252 6.989 1.00 0.00 O ATOM 406 CB ASP A 28 -13.582 1.392 6.118 1.00 0.00 C ATOM 407 CG ASP A 28 -13.472 1.275 4.585 1.00 0.00 C ATOM 408 OD1 ASP A 28 -12.347 1.393 4.059 1.00 0.00 O ATOM 409 OD2 ASP A 28 -14.499 1.078 3.896 1.00 0.00 O ATOM 0 H ASP A 28 -11.212 0.647 5.609 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.892 0.492 7.972 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -14.635 1.369 6.397 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -13.192 2.362 6.425 1.00 0.00 H new ATOM 414 N GLY A 29 -12.737 -2.116 6.246 1.00 0.00 N ATOM 415 CA GLY A 29 -13.260 -3.476 6.037 1.00 0.00 C ATOM 416 C GLY A 29 -12.138 -4.497 5.878 1.00 0.00 C ATOM 417 O GLY A 29 -11.029 -4.284 6.383 1.00 0.00 O ATOM 0 H GLY A 29 -11.750 -2.011 6.012 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.890 -3.757 6.881 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -13.892 -3.490 5.149 1.00 0.00 H new ATOM 421 N HIS A 30 -12.413 -5.582 5.130 1.00 0.00 N ATOM 422 CA HIS A 30 -11.461 -6.699 4.932 1.00 0.00 C ATOM 423 C HIS A 30 -10.593 -6.423 3.679 1.00 0.00 C ATOM 424 O HIS A 30 -10.626 -7.174 2.698 1.00 0.00 O ATOM 425 CB HIS A 30 -12.220 -8.054 4.805 1.00 0.00 C ATOM 426 CG HIS A 30 -13.074 -8.416 5.997 1.00 0.00 C ATOM 427 ND1 HIS A 30 -12.753 -9.423 6.875 1.00 0.00 N ATOM 428 CD2 HIS A 30 -14.256 -7.918 6.431 1.00 0.00 C ATOM 429 CE1 HIS A 30 -13.691 -9.528 7.789 1.00 0.00 C ATOM 430 NE2 HIS A 30 -14.615 -8.625 7.543 1.00 0.00 N ATOM 0 H HIS A 30 -13.301 -5.712 4.645 1.00 0.00 H new ATOM 0 HA HIS A 30 -10.807 -6.771 5.801 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -12.854 -8.017 3.919 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -11.492 -8.849 4.643 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -14.813 -7.110 5.980 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -13.701 -10.236 8.604 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -15.461 -8.477 8.093 1.00 0.00 H new ATOM 439 N TYR A 31 -9.830 -5.323 3.726 1.00 0.00 N ATOM 440 CA TYR A 31 -8.986 -4.872 2.602 1.00 0.00 C ATOM 441 C TYR A 31 -7.573 -5.455 2.710 1.00 0.00 C ATOM 442 O TYR A 31 -7.109 -5.803 3.796 1.00 0.00 O ATOM 443 CB TYR A 31 -8.915 -3.320 2.566 1.00 0.00 C ATOM 444 CG TYR A 31 -10.245 -2.625 2.241 1.00 0.00 C ATOM 445 CD1 TYR A 31 -11.160 -2.315 3.242 1.00 0.00 C ATOM 446 CD2 TYR A 31 -10.577 -2.281 0.932 1.00 0.00 C ATOM 447 CE1 TYR A 31 -12.355 -1.694 2.957 1.00 0.00 C ATOM 448 CE2 TYR A 31 -11.772 -1.656 0.642 1.00 0.00 C ATOM 449 CZ TYR A 31 -12.662 -1.366 1.662 1.00 0.00 C ATOM 450 OH TYR A 31 -13.858 -0.733 1.383 1.00 0.00 O ATOM 0 H TYR A 31 -9.778 -4.717 4.545 1.00 0.00 H new ATOM 0 HA TYR A 31 -9.439 -5.230 1.677 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.561 -2.963 3.533 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.174 -3.021 1.825 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.927 -2.567 4.266 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -9.888 -2.507 0.132 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -13.049 -1.466 3.752 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -12.013 -1.394 -0.378 1.00 0.00 H new ATOM 0 HH TYR A 31 -14.106 -0.156 2.135 1.00 0.00 H new ATOM 460 N ALA A 32 -6.905 -5.538 1.566 1.00 0.00 N ATOM 461 CA ALA A 32 -5.525 -5.998 1.445 1.00 0.00 C ATOM 462 C ALA A 32 -4.775 -5.041 0.518 1.00 0.00 C ATOM 463 O ALA A 32 -5.364 -4.117 -0.049 1.00 0.00 O ATOM 464 CB ALA A 32 -5.481 -7.444 0.920 1.00 0.00 C ATOM 0 H ALA A 32 -7.319 -5.280 0.670 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.043 -6.000 2.423 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.444 -7.769 0.836 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.012 -8.098 1.611 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.956 -7.490 -0.060 1.00 0.00 H new ATOM 470 N VAL A 33 -3.479 -5.268 0.378 1.00 0.00 N ATOM 471 CA VAL A 33 -2.580 -4.426 -0.421 1.00 0.00 C ATOM 472 C VAL A 33 -1.677 -5.310 -1.281 1.00 0.00 C ATOM 473 O VAL A 33 -1.275 -6.388 -0.853 1.00 0.00 O ATOM 474 CB VAL A 33 -1.717 -3.529 0.533 1.00 0.00 C ATOM 475 CG1 VAL A 33 -0.961 -4.393 1.551 1.00 0.00 C ATOM 476 CG2 VAL A 33 -0.760 -2.587 -0.235 1.00 0.00 C ATOM 0 H VAL A 33 -3.006 -6.055 0.822 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.167 -3.782 -1.076 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.407 -2.882 1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.368 -3.752 2.203 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.675 -4.959 2.149 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.302 -5.083 1.024 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.188 -1.991 0.476 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.077 -3.180 -0.843 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.340 -1.926 -0.880 1.00 0.00 H new ATOM 486 N ALA A 34 -1.377 -4.849 -2.484 1.00 0.00 N ATOM 487 CA ALA A 34 -0.415 -5.487 -3.380 1.00 0.00 C ATOM 488 C ALA A 34 0.726 -4.503 -3.625 1.00 0.00 C ATOM 489 O ALA A 34 0.588 -3.567 -4.410 1.00 0.00 O ATOM 490 CB ALA A 34 -1.094 -5.927 -4.692 1.00 0.00 C ATOM 0 H ALA A 34 -1.800 -4.007 -2.876 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.015 -6.394 -2.926 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.358 -6.399 -5.342 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.890 -6.638 -4.469 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.515 -5.056 -5.194 1.00 0.00 H new ATOM 496 N LEU A 35 1.836 -4.705 -2.912 1.00 0.00 N ATOM 497 CA LEU A 35 3.024 -3.852 -3.004 1.00 0.00 C ATOM 498 C LEU A 35 4.033 -4.508 -3.957 1.00 0.00 C ATOM 499 O LEU A 35 4.570 -5.582 -3.641 1.00 0.00 O ATOM 500 CB LEU A 35 3.649 -3.626 -1.595 1.00 0.00 C ATOM 501 CG LEU A 35 4.826 -2.602 -1.532 1.00 0.00 C ATOM 502 CD1 LEU A 35 4.344 -1.186 -1.876 1.00 0.00 C ATOM 503 CD2 LEU A 35 5.515 -2.636 -0.160 1.00 0.00 C ATOM 0 H LEU A 35 1.937 -5.473 -2.248 1.00 0.00 H new ATOM 0 HA LEU A 35 2.744 -2.874 -3.396 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.863 -3.290 -0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.005 -4.585 -1.218 1.00 0.00 H new ATOM 0 HG LEU A 35 5.563 -2.893 -2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.184 -0.493 -1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.928 -1.178 -2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.577 -0.880 -1.165 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.331 -1.913 -0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.792 -2.385 0.616 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.912 -3.635 0.023 1.00 0.00 H new ATOM 515 N ASN A 36 4.250 -3.866 -5.128 1.00 0.00 N ATOM 516 CA ASN A 36 5.167 -4.336 -6.183 1.00 0.00 C ATOM 517 C ASN A 36 4.842 -5.774 -6.611 1.00 0.00 C ATOM 518 O ASN A 36 5.693 -6.670 -6.544 1.00 0.00 O ATOM 519 CB ASN A 36 6.657 -4.172 -5.747 1.00 0.00 C ATOM 520 CG ASN A 36 7.057 -2.711 -5.553 1.00 0.00 C ATOM 521 OD1 ASN A 36 6.547 -1.816 -6.227 1.00 0.00 O ATOM 522 ND2 ASN A 36 7.985 -2.458 -4.651 1.00 0.00 N ATOM 0 H ASN A 36 3.783 -2.991 -5.367 1.00 0.00 H new ATOM 0 HA ASN A 36 5.019 -3.707 -7.061 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.821 -4.716 -4.817 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.303 -4.625 -6.499 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.298 -1.500 -4.497 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.389 -3.221 -4.108 1.00 0.00 H new ATOM 529 N TYR A 37 3.571 -5.960 -7.024 1.00 0.00 N ATOM 530 CA TYR A 37 3.048 -7.218 -7.601 1.00 0.00 C ATOM 531 C TYR A 37 3.118 -8.378 -6.583 1.00 0.00 C ATOM 532 O TYR A 37 3.329 -9.536 -6.956 1.00 0.00 O ATOM 533 CB TYR A 37 3.791 -7.570 -8.930 1.00 0.00 C ATOM 534 CG TYR A 37 3.878 -6.413 -9.943 1.00 0.00 C ATOM 535 CD1 TYR A 37 2.811 -6.102 -10.782 1.00 0.00 C ATOM 536 CD2 TYR A 37 5.032 -5.623 -10.046 1.00 0.00 C ATOM 537 CE1 TYR A 37 2.888 -5.052 -11.675 1.00 0.00 C ATOM 538 CE2 TYR A 37 5.111 -4.576 -10.938 1.00 0.00 C ATOM 539 CZ TYR A 37 4.041 -4.293 -11.752 1.00 0.00 C ATOM 540 OH TYR A 37 4.113 -3.240 -12.644 1.00 0.00 O ATOM 0 H TYR A 37 2.865 -5.226 -6.965 1.00 0.00 H new ATOM 0 HA TYR A 37 1.995 -7.067 -7.840 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.801 -7.901 -8.689 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.284 -8.411 -9.402 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.908 -6.692 -10.733 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.878 -5.840 -9.411 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.047 -4.823 -12.314 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.010 -3.980 -10.997 1.00 0.00 H new ATOM 0 HH TYR A 37 3.503 -2.528 -12.359 1.00 0.00 H new ATOM 550 N ASP A 38 2.908 -8.056 -5.300 1.00 0.00 N ATOM 551 CA ASP A 38 2.895 -9.052 -4.213 1.00 0.00 C ATOM 552 C ASP A 38 1.997 -8.567 -3.073 1.00 0.00 C ATOM 553 O ASP A 38 2.190 -7.457 -2.572 1.00 0.00 O ATOM 554 CB ASP A 38 4.328 -9.304 -3.691 1.00 0.00 C ATOM 555 CG ASP A 38 4.358 -10.270 -2.491 1.00 0.00 C ATOM 556 OD1 ASP A 38 4.175 -11.485 -2.702 1.00 0.00 O ATOM 557 OD2 ASP A 38 4.553 -9.829 -1.338 1.00 0.00 O ATOM 0 H ASP A 38 2.742 -7.101 -4.984 1.00 0.00 H new ATOM 0 HA ASP A 38 2.500 -9.990 -4.604 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.938 -9.712 -4.497 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.777 -8.354 -3.400 1.00 0.00 H new ATOM 562 N VAL A 39 1.033 -9.407 -2.670 1.00 0.00 N ATOM 563 CA VAL A 39 0.105 -9.085 -1.585 1.00 0.00 C ATOM 564 C VAL A 39 0.817 -9.172 -0.230 1.00 0.00 C ATOM 565 O VAL A 39 1.420 -10.204 0.099 1.00 0.00 O ATOM 566 CB VAL A 39 -1.156 -10.025 -1.575 1.00 0.00 C ATOM 567 CG1 VAL A 39 -2.194 -9.572 -0.522 1.00 0.00 C ATOM 568 CG2 VAL A 39 -1.783 -10.106 -2.975 1.00 0.00 C ATOM 0 H VAL A 39 0.878 -10.325 -3.087 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.241 -8.066 -1.758 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.825 -11.024 -1.293 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.052 -10.245 -0.544 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.740 -9.594 0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.523 -8.558 -0.748 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.654 -10.761 -2.946 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.089 -9.110 -3.295 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.052 -10.505 -3.679 1.00 0.00 H new ATOM 578 N VAL A 40 0.733 -8.083 0.547 1.00 0.00 N ATOM 579 CA VAL A 40 1.266 -8.025 1.912 1.00 0.00 C ATOM 580 C VAL A 40 0.116 -8.354 2.891 1.00 0.00 C ATOM 581 O VAL A 40 -0.892 -7.636 2.901 1.00 0.00 O ATOM 582 CB VAL A 40 1.876 -6.608 2.248 1.00 0.00 C ATOM 583 CG1 VAL A 40 2.460 -6.548 3.678 1.00 0.00 C ATOM 584 CG2 VAL A 40 2.943 -6.212 1.214 1.00 0.00 C ATOM 0 H VAL A 40 0.291 -7.215 0.244 1.00 0.00 H new ATOM 0 HA VAL A 40 2.075 -8.749 2.007 1.00 0.00 H new ATOM 0 HB VAL A 40 1.057 -5.890 2.200 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.868 -5.554 3.863 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.672 -6.758 4.402 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.252 -7.290 3.779 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.349 -5.232 1.467 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.746 -6.949 1.219 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.492 -6.173 0.222 1.00 0.00 H new ATOM 594 N PRO A 41 0.217 -9.465 3.682 1.00 0.00 N ATOM 595 CA PRO A 41 -0.774 -9.789 4.729 1.00 0.00 C ATOM 596 C PRO A 41 -0.784 -8.713 5.835 1.00 0.00 C ATOM 597 O PRO A 41 0.236 -8.046 6.069 1.00 0.00 O ATOM 598 CB PRO A 41 -0.334 -11.178 5.263 1.00 0.00 C ATOM 599 CG PRO A 41 1.110 -11.293 4.882 1.00 0.00 C ATOM 600 CD PRO A 41 1.278 -10.498 3.600 1.00 0.00 C ATOM 0 HA PRO A 41 -1.795 -9.812 4.349 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.465 -11.247 6.343 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.926 -11.978 4.819 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.752 -10.900 5.670 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.391 -12.336 4.732 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.269 -10.049 3.535 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.155 -11.129 2.719 1.00 0.00 H new ATOM 608 N ARG A 42 -1.950 -8.564 6.496 1.00 0.00 N ATOM 609 CA ARG A 42 -2.242 -7.425 7.393 1.00 0.00 C ATOM 610 C ARG A 42 -1.285 -7.339 8.594 1.00 0.00 C ATOM 611 O ARG A 42 -0.849 -6.239 8.965 1.00 0.00 O ATOM 612 CB ARG A 42 -3.736 -7.421 7.845 1.00 0.00 C ATOM 613 CG ARG A 42 -4.108 -6.219 8.742 1.00 0.00 C ATOM 614 CD ARG A 42 -5.619 -5.993 8.851 1.00 0.00 C ATOM 615 NE ARG A 42 -5.919 -4.914 9.792 1.00 0.00 N ATOM 616 CZ ARG A 42 -6.890 -4.002 9.647 1.00 0.00 C ATOM 617 NH1 ARG A 42 -7.693 -3.989 8.576 1.00 0.00 N ATOM 618 NH2 ARG A 42 -7.072 -3.108 10.591 1.00 0.00 N ATOM 0 H ARG A 42 -2.718 -9.231 6.423 1.00 0.00 H new ATOM 0 HA ARG A 42 -2.068 -6.524 6.805 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -4.374 -7.415 6.961 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.946 -8.345 8.384 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.698 -6.377 9.739 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.640 -5.318 8.344 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.026 -5.749 7.870 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.106 -6.912 9.178 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.340 -4.850 10.629 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.575 -4.687 7.841 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.423 -3.282 8.495 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.478 -3.114 11.420 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.807 -2.407 10.495 1.00 0.00 H new ATOM 632 N GLY A 43 -0.926 -8.505 9.154 1.00 0.00 N ATOM 633 CA GLY A 43 0.019 -8.579 10.272 1.00 0.00 C ATOM 634 C GLY A 43 1.467 -8.232 9.894 1.00 0.00 C ATOM 635 O GLY A 43 2.347 -8.256 10.750 1.00 0.00 O ATOM 0 H GLY A 43 -1.279 -9.411 8.847 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.312 -7.901 11.059 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.005 -9.586 10.688 1.00 0.00 H new ATOM 639 N LYS A 44 1.721 -7.938 8.600 1.00 0.00 N ATOM 640 CA LYS A 44 3.055 -7.533 8.094 1.00 0.00 C ATOM 641 C LYS A 44 3.064 -6.082 7.576 1.00 0.00 C ATOM 642 O LYS A 44 4.139 -5.563 7.275 1.00 0.00 O ATOM 643 CB LYS A 44 3.524 -8.491 6.965 1.00 0.00 C ATOM 644 CG LYS A 44 3.758 -9.943 7.425 1.00 0.00 C ATOM 645 CD LYS A 44 4.439 -10.811 6.345 1.00 0.00 C ATOM 646 CE LYS A 44 4.693 -12.254 6.817 1.00 0.00 C ATOM 647 NZ LYS A 44 5.596 -12.295 8.005 1.00 0.00 N ATOM 0 H LYS A 44 1.006 -7.974 7.873 1.00 0.00 H new ATOM 0 HA LYS A 44 3.745 -7.594 8.936 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.779 -8.489 6.170 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.448 -8.104 6.536 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.375 -9.940 8.324 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.802 -10.392 7.696 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.814 -10.830 5.452 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.387 -10.354 6.061 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.743 -12.728 7.065 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.135 -12.830 6.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.880 -13.278 8.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.442 -11.719 7.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.096 -11.916 8.834 1.00 0.00 H new ATOM 661 N TRP A 45 1.869 -5.445 7.460 1.00 0.00 N ATOM 662 CA TRP A 45 1.729 -4.040 6.962 1.00 0.00 C ATOM 663 C TRP A 45 2.671 -3.072 7.726 1.00 0.00 C ATOM 664 O TRP A 45 3.291 -2.182 7.131 1.00 0.00 O ATOM 665 CB TRP A 45 0.259 -3.522 7.094 1.00 0.00 C ATOM 666 CG TRP A 45 -0.775 -4.140 6.175 1.00 0.00 C ATOM 667 CD1 TRP A 45 -0.590 -5.073 5.200 1.00 0.00 C ATOM 668 CD2 TRP A 45 -2.181 -3.827 6.155 1.00 0.00 C ATOM 669 NE1 TRP A 45 -1.787 -5.378 4.598 1.00 0.00 N ATOM 670 CE2 TRP A 45 -2.779 -4.622 5.165 1.00 0.00 C ATOM 671 CE3 TRP A 45 -2.985 -2.953 6.893 1.00 0.00 C ATOM 672 CZ2 TRP A 45 -4.147 -4.566 4.891 1.00 0.00 C ATOM 673 CZ3 TRP A 45 -4.342 -2.905 6.627 1.00 0.00 C ATOM 674 CH2 TRP A 45 -4.911 -3.708 5.634 1.00 0.00 C ATOM 0 H TRP A 45 0.980 -5.881 7.705 1.00 0.00 H new ATOM 0 HA TRP A 45 2.006 -4.059 5.908 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.065 -3.681 8.123 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.263 -2.445 6.924 1.00 0.00 H new ATOM 0 HD1 TRP A 45 0.362 -5.511 4.937 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.916 -6.058 3.849 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -2.554 -2.325 7.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -4.587 -5.179 4.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -4.972 -2.237 7.195 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -5.974 -3.650 5.450 1.00 0.00 H new ATOM 685 N ASP A 46 2.756 -3.279 9.046 1.00 0.00 N ATOM 686 CA ASP A 46 3.596 -2.483 9.965 1.00 0.00 C ATOM 687 C ASP A 46 5.095 -2.769 9.762 1.00 0.00 C ATOM 688 O ASP A 46 5.931 -1.863 9.834 1.00 0.00 O ATOM 689 CB ASP A 46 3.157 -2.757 11.430 1.00 0.00 C ATOM 690 CG ASP A 46 3.244 -4.244 11.853 1.00 0.00 C ATOM 691 OD1 ASP A 46 2.502 -5.081 11.282 1.00 0.00 O ATOM 692 OD2 ASP A 46 4.051 -4.580 12.748 1.00 0.00 O ATOM 0 H ASP A 46 2.235 -4.017 9.519 1.00 0.00 H new ATOM 0 HA ASP A 46 3.452 -1.426 9.743 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.779 -2.164 12.100 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.131 -2.414 11.560 1.00 0.00 H new ATOM 697 N GLU A 47 5.416 -4.039 9.510 1.00 0.00 N ATOM 698 CA GLU A 47 6.799 -4.496 9.266 1.00 0.00 C ATOM 699 C GLU A 47 7.303 -4.167 7.851 1.00 0.00 C ATOM 700 O GLU A 47 8.510 -4.242 7.592 1.00 0.00 O ATOM 701 CB GLU A 47 6.880 -6.018 9.519 1.00 0.00 C ATOM 702 CG GLU A 47 6.635 -6.433 10.982 1.00 0.00 C ATOM 703 CD GLU A 47 7.691 -5.862 11.944 1.00 0.00 C ATOM 704 OE1 GLU A 47 8.848 -6.329 11.908 1.00 0.00 O ATOM 705 OE2 GLU A 47 7.388 -4.935 12.710 1.00 0.00 O ATOM 0 H GLU A 47 4.726 -4.789 9.468 1.00 0.00 H new ATOM 0 HA GLU A 47 7.448 -3.957 9.956 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.149 -6.519 8.885 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.864 -6.373 9.213 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.646 -6.094 11.291 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.635 -7.521 11.052 1.00 0.00 H new ATOM 712 N THR A 48 6.391 -3.811 6.939 1.00 0.00 N ATOM 713 CA THR A 48 6.740 -3.538 5.540 1.00 0.00 C ATOM 714 C THR A 48 6.682 -2.020 5.280 1.00 0.00 C ATOM 715 O THR A 48 5.627 -1.411 5.503 1.00 0.00 O ATOM 716 CB THR A 48 5.772 -4.285 4.570 1.00 0.00 C ATOM 717 OG1 THR A 48 5.691 -5.666 4.957 1.00 0.00 O ATOM 718 CG2 THR A 48 6.247 -4.194 3.098 1.00 0.00 C ATOM 0 H THR A 48 5.398 -3.705 7.147 1.00 0.00 H new ATOM 0 HA THR A 48 7.752 -3.900 5.356 1.00 0.00 H new ATOM 0 HB THR A 48 4.794 -3.809 4.636 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.173 -5.744 5.785 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.546 -4.727 2.456 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.294 -3.148 2.795 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.236 -4.643 3.006 1.00 0.00 H new ATOM 726 N PRO A 49 7.815 -1.369 4.872 1.00 0.00 N ATOM 727 CA PRO A 49 7.806 0.049 4.450 1.00 0.00 C ATOM 728 C PRO A 49 7.347 0.223 2.975 1.00 0.00 C ATOM 729 O PRO A 49 7.238 -0.755 2.224 1.00 0.00 O ATOM 730 CB PRO A 49 9.285 0.469 4.648 1.00 0.00 C ATOM 731 CG PRO A 49 10.062 -0.780 4.345 1.00 0.00 C ATOM 732 CD PRO A 49 9.196 -1.941 4.818 1.00 0.00 C ATOM 0 HA PRO A 49 7.102 0.658 5.017 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.562 1.283 3.978 1.00 0.00 H new ATOM 0 HB3 PRO A 49 9.468 0.816 5.665 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.272 -0.859 3.278 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.023 -0.776 4.859 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.251 -2.785 4.131 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.515 -2.304 5.795 1.00 0.00 H new ATOM 740 N VAL A 50 7.065 1.477 2.587 1.00 0.00 N ATOM 741 CA VAL A 50 6.779 1.876 1.193 1.00 0.00 C ATOM 742 C VAL A 50 7.848 2.893 0.753 1.00 0.00 C ATOM 743 O VAL A 50 8.256 3.751 1.544 1.00 0.00 O ATOM 744 CB VAL A 50 5.341 2.509 1.038 1.00 0.00 C ATOM 745 CG1 VAL A 50 5.069 2.916 -0.420 1.00 0.00 C ATOM 746 CG2 VAL A 50 4.242 1.550 1.537 1.00 0.00 C ATOM 0 H VAL A 50 7.028 2.258 3.242 1.00 0.00 H new ATOM 0 HA VAL A 50 6.805 0.986 0.564 1.00 0.00 H new ATOM 0 HB VAL A 50 5.316 3.404 1.659 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.072 3.349 -0.497 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.809 3.651 -0.737 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.133 2.037 -1.061 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.266 2.020 1.415 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.275 0.626 0.959 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.407 1.325 2.591 1.00 0.00 H new ATOM 756 N THR A 51 8.291 2.781 -0.499 1.00 0.00 N ATOM 757 CA THR A 51 9.329 3.628 -1.088 1.00 0.00 C ATOM 758 C THR A 51 8.760 4.306 -2.353 1.00 0.00 C ATOM 759 O THR A 51 7.803 3.798 -2.949 1.00 0.00 O ATOM 760 CB THR A 51 10.573 2.745 -1.436 1.00 0.00 C ATOM 761 OG1 THR A 51 10.946 1.988 -0.268 1.00 0.00 O ATOM 762 CG2 THR A 51 11.780 3.572 -1.928 1.00 0.00 C ATOM 0 H THR A 51 7.930 2.082 -1.148 1.00 0.00 H new ATOM 0 HA THR A 51 9.640 4.401 -0.386 1.00 0.00 H new ATOM 0 HB THR A 51 10.291 2.085 -2.256 1.00 0.00 H new ATOM 0 HG1 THR A 51 11.724 1.429 -0.475 1.00 0.00 H new ATOM 0 HG21 THR A 51 12.611 2.904 -2.153 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.502 4.122 -2.827 1.00 0.00 H new ATOM 0 HG23 THR A 51 12.080 4.275 -1.151 1.00 0.00 H new ATOM 770 N ALA A 52 9.317 5.470 -2.721 1.00 0.00 N ATOM 771 CA ALA A 52 8.954 6.191 -3.955 1.00 0.00 C ATOM 772 C ALA A 52 9.178 5.299 -5.192 1.00 0.00 C ATOM 773 O ALA A 52 10.273 4.741 -5.368 1.00 0.00 O ATOM 774 CB ALA A 52 9.766 7.493 -4.057 1.00 0.00 C ATOM 0 H ALA A 52 10.035 5.941 -2.170 1.00 0.00 H new ATOM 0 HA ALA A 52 7.895 6.446 -3.918 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.493 8.021 -4.971 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.551 8.124 -3.195 1.00 0.00 H new ATOM 0 HB3 ALA A 52 10.830 7.258 -4.078 1.00 0.00 H new ATOM 780 N GLY A 53 8.133 5.161 -6.026 1.00 0.00 N ATOM 781 CA GLY A 53 8.176 4.302 -7.220 1.00 0.00 C ATOM 782 C GLY A 53 7.475 2.965 -7.044 1.00 0.00 C ATOM 783 O GLY A 53 7.405 2.182 -8.001 1.00 0.00 O ATOM 0 H GLY A 53 7.241 5.638 -5.892 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.718 4.834 -8.054 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.217 4.122 -7.489 1.00 0.00 H new ATOM 787 N ASP A 54 6.959 2.690 -5.832 1.00 0.00 N ATOM 788 CA ASP A 54 6.238 1.435 -5.538 1.00 0.00 C ATOM 789 C ASP A 54 4.824 1.462 -6.115 1.00 0.00 C ATOM 790 O ASP A 54 4.134 2.489 -6.051 1.00 0.00 O ATOM 791 CB ASP A 54 6.173 1.161 -4.001 1.00 0.00 C ATOM 792 CG ASP A 54 7.488 0.669 -3.374 1.00 0.00 C ATOM 793 OD1 ASP A 54 8.513 0.577 -4.080 1.00 0.00 O ATOM 794 OD2 ASP A 54 7.503 0.354 -2.163 1.00 0.00 O ATOM 0 H ASP A 54 7.028 3.323 -5.035 1.00 0.00 H new ATOM 0 HA ASP A 54 6.797 0.628 -6.012 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.867 2.077 -3.496 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.397 0.419 -3.812 1.00 0.00 H new ATOM 799 N GLU A 55 4.407 0.323 -6.688 1.00 0.00 N ATOM 800 CA GLU A 55 3.056 0.122 -7.196 1.00 0.00 C ATOM 801 C GLU A 55 2.191 -0.505 -6.091 1.00 0.00 C ATOM 802 O GLU A 55 2.402 -1.650 -5.692 1.00 0.00 O ATOM 803 CB GLU A 55 3.048 -0.760 -8.468 1.00 0.00 C ATOM 804 CG GLU A 55 1.684 -0.773 -9.185 1.00 0.00 C ATOM 805 CD GLU A 55 1.626 -1.716 -10.390 1.00 0.00 C ATOM 806 OE1 GLU A 55 2.184 -1.369 -11.449 1.00 0.00 O ATOM 807 OE2 GLU A 55 0.981 -2.785 -10.300 1.00 0.00 O ATOM 0 H GLU A 55 5.011 -0.490 -6.810 1.00 0.00 H new ATOM 0 HA GLU A 55 2.642 1.090 -7.479 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.811 -0.400 -9.158 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.319 -1.780 -8.197 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.912 -1.063 -8.472 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.449 0.239 -9.516 1.00 0.00 H new ATOM 814 N ILE A 56 1.252 0.278 -5.578 1.00 0.00 N ATOM 815 CA ILE A 56 0.336 -0.131 -4.515 1.00 0.00 C ATOM 816 C ILE A 56 -1.071 -0.344 -5.093 1.00 0.00 C ATOM 817 O ILE A 56 -1.817 0.607 -5.290 1.00 0.00 O ATOM 818 CB ILE A 56 0.289 0.976 -3.412 1.00 0.00 C ATOM 819 CG1 ILE A 56 1.728 1.303 -2.920 1.00 0.00 C ATOM 820 CG2 ILE A 56 -0.654 0.572 -2.255 1.00 0.00 C ATOM 821 CD1 ILE A 56 1.822 2.542 -2.063 1.00 0.00 C ATOM 0 H ILE A 56 1.100 1.236 -5.894 1.00 0.00 H new ATOM 0 HA ILE A 56 0.687 -1.065 -4.077 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.126 1.887 -3.843 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.108 0.453 -2.353 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.378 1.424 -3.787 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.666 1.361 -1.503 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.662 0.424 -2.642 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.299 -0.354 -1.803 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.858 2.699 -1.762 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.475 3.405 -2.631 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.201 2.419 -1.176 1.00 0.00 H new ATOM 833 N GLU A 57 -1.422 -1.592 -5.375 1.00 0.00 N ATOM 834 CA GLU A 57 -2.781 -1.958 -5.795 1.00 0.00 C ATOM 835 C GLU A 57 -3.564 -2.450 -4.574 1.00 0.00 C ATOM 836 O GLU A 57 -3.208 -3.454 -3.976 1.00 0.00 O ATOM 837 CB GLU A 57 -2.735 -3.040 -6.898 1.00 0.00 C ATOM 838 CG GLU A 57 -4.126 -3.521 -7.359 1.00 0.00 C ATOM 839 CD GLU A 57 -4.051 -4.645 -8.391 1.00 0.00 C ATOM 840 OE1 GLU A 57 -3.823 -5.806 -8.000 1.00 0.00 O ATOM 841 OE2 GLU A 57 -4.207 -4.373 -9.597 1.00 0.00 O ATOM 0 H GLU A 57 -0.779 -2.382 -5.321 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.283 -1.085 -6.213 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.194 -2.645 -7.758 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.169 -3.896 -6.531 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.692 -3.866 -6.493 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.674 -2.680 -7.784 1.00 0.00 H new ATOM 848 N ILE A 58 -4.635 -1.743 -4.206 1.00 0.00 N ATOM 849 CA ILE A 58 -5.493 -2.151 -3.083 1.00 0.00 C ATOM 850 C ILE A 58 -6.382 -3.321 -3.551 1.00 0.00 C ATOM 851 O ILE A 58 -6.814 -3.358 -4.707 1.00 0.00 O ATOM 852 CB ILE A 58 -6.358 -0.941 -2.571 1.00 0.00 C ATOM 853 CG1 ILE A 58 -5.419 0.182 -2.018 1.00 0.00 C ATOM 854 CG2 ILE A 58 -7.402 -1.391 -1.524 1.00 0.00 C ATOM 855 CD1 ILE A 58 -6.129 1.431 -1.535 1.00 0.00 C ATOM 0 H ILE A 58 -4.932 -0.883 -4.668 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.878 -2.477 -2.244 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.922 -0.533 -3.410 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.835 -0.227 -1.194 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.714 0.463 -2.800 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.981 -0.529 -1.193 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.071 -2.127 -1.970 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.892 -1.835 -0.669 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.394 2.149 -1.171 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.691 1.872 -2.359 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.813 1.171 -0.727 1.00 0.00 H new ATOM 867 N LEU A 59 -6.604 -4.295 -2.673 1.00 0.00 N ATOM 868 CA LEU A 59 -7.386 -5.501 -2.981 1.00 0.00 C ATOM 869 C LEU A 59 -8.516 -5.676 -1.975 1.00 0.00 C ATOM 870 O LEU A 59 -8.436 -5.202 -0.847 1.00 0.00 O ATOM 871 CB LEU A 59 -6.450 -6.748 -3.007 1.00 0.00 C ATOM 872 CG LEU A 59 -5.462 -6.804 -4.212 1.00 0.00 C ATOM 873 CD1 LEU A 59 -4.524 -8.015 -4.122 1.00 0.00 C ATOM 874 CD2 LEU A 59 -6.234 -6.785 -5.539 1.00 0.00 C ATOM 0 H LEU A 59 -6.246 -4.275 -1.718 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.837 -5.392 -3.967 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.873 -6.770 -2.082 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.067 -7.647 -3.020 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.832 -5.915 -4.173 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.851 -8.019 -4.980 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.941 -7.956 -3.203 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.113 -8.932 -4.119 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.530 -6.825 -6.370 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.899 -7.647 -5.585 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.822 -5.870 -5.605 1.00 0.00 H new ATOM 886 N THR A 60 -9.597 -6.315 -2.423 1.00 0.00 N ATOM 887 CA THR A 60 -10.673 -6.803 -1.565 1.00 0.00 C ATOM 888 C THR A 60 -10.796 -8.317 -1.825 1.00 0.00 C ATOM 889 O THR A 60 -11.573 -8.736 -2.687 1.00 0.00 O ATOM 890 CB THR A 60 -12.023 -6.057 -1.850 1.00 0.00 C ATOM 891 OG1 THR A 60 -12.396 -6.190 -3.238 1.00 0.00 O ATOM 892 CG2 THR A 60 -11.924 -4.563 -1.501 1.00 0.00 C ATOM 0 H THR A 60 -9.751 -6.511 -3.412 1.00 0.00 H new ATOM 0 HA THR A 60 -10.445 -6.610 -0.517 1.00 0.00 H new ATOM 0 HB THR A 60 -12.783 -6.518 -1.219 1.00 0.00 H new ATOM 0 HG1 THR A 60 -12.226 -7.108 -3.536 1.00 0.00 H new ATOM 0 HG21 THR A 60 -12.877 -4.076 -1.711 1.00 0.00 H new ATOM 0 HG22 THR A 60 -11.685 -4.451 -0.443 1.00 0.00 H new ATOM 0 HG23 THR A 60 -11.141 -4.100 -2.101 1.00 0.00 H new ATOM 900 N PRO A 61 -9.966 -9.172 -1.134 1.00 0.00 N ATOM 901 CA PRO A 61 -9.909 -10.619 -1.425 1.00 0.00 C ATOM 902 C PRO A 61 -11.248 -11.312 -1.097 1.00 0.00 C ATOM 903 O PRO A 61 -11.663 -11.368 0.066 1.00 0.00 O ATOM 904 CB PRO A 61 -8.747 -11.141 -0.527 1.00 0.00 C ATOM 905 CG PRO A 61 -8.022 -9.914 -0.056 1.00 0.00 C ATOM 906 CD PRO A 61 -9.057 -8.815 -0.013 1.00 0.00 C ATOM 0 HA PRO A 61 -9.737 -10.828 -2.481 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.130 -11.718 0.315 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.083 -11.798 -1.088 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.581 -10.074 0.928 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.207 -9.657 -0.733 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -9.582 -8.792 0.942 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.608 -7.832 -0.154 1.00 0.00 H new ATOM 914 N ARG A 62 -11.910 -11.828 -2.129 1.00 0.00 N ATOM 915 CA ARG A 62 -13.244 -12.406 -2.022 1.00 0.00 C ATOM 916 C ARG A 62 -13.435 -13.382 -3.191 1.00 0.00 C ATOM 917 O ARG A 62 -13.425 -12.967 -4.360 1.00 0.00 O ATOM 918 CB ARG A 62 -14.316 -11.279 -2.038 1.00 0.00 C ATOM 919 CG ARG A 62 -15.781 -11.773 -2.014 1.00 0.00 C ATOM 920 CD ARG A 62 -16.799 -10.620 -1.996 1.00 0.00 C ATOM 921 NE ARG A 62 -16.591 -9.683 -3.119 1.00 0.00 N ATOM 922 CZ ARG A 62 -17.136 -8.455 -3.224 1.00 0.00 C ATOM 923 NH1 ARG A 62 -17.950 -7.971 -2.289 1.00 0.00 N ATOM 924 NH2 ARG A 62 -16.876 -7.705 -4.290 1.00 0.00 N ATOM 0 H ARG A 62 -11.529 -11.856 -3.075 1.00 0.00 H new ATOM 0 HA ARG A 62 -13.357 -12.946 -1.082 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -14.153 -10.630 -1.178 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -14.168 -10.670 -2.930 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -15.963 -12.399 -2.888 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -15.934 -12.400 -1.136 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -17.809 -11.027 -2.045 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -16.719 -10.080 -1.053 1.00 0.00 H new ATOM 0 HE ARG A 62 -15.984 -9.991 -3.879 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -18.175 -8.533 -1.468 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -18.349 -7.038 -2.393 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -16.265 -8.059 -5.026 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -17.287 -6.775 -4.372 1.00 0.00 H new ATOM 938 N GLN A 63 -13.499 -14.682 -2.854 1.00 0.00 N ATOM 939 CA GLN A 63 -13.823 -15.795 -3.779 1.00 0.00 C ATOM 940 C GLN A 63 -12.741 -16.005 -4.886 1.00 0.00 C ATOM 941 O GLN A 63 -12.903 -16.834 -5.780 1.00 0.00 O ATOM 942 CB GLN A 63 -15.274 -15.604 -4.350 1.00 0.00 C ATOM 943 CG GLN A 63 -15.877 -16.832 -5.067 1.00 0.00 C ATOM 944 CD GLN A 63 -17.327 -16.618 -5.513 1.00 0.00 C ATOM 945 OE1 GLN A 63 -18.273 -16.929 -4.789 1.00 0.00 O ATOM 946 NE2 GLN A 63 -17.517 -16.053 -6.692 1.00 0.00 N ATOM 0 H GLN A 63 -13.322 -15.003 -1.902 1.00 0.00 H new ATOM 0 HA GLN A 63 -13.807 -16.726 -3.213 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -15.934 -15.325 -3.529 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -15.263 -14.767 -5.049 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -15.267 -17.072 -5.938 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -15.832 -17.693 -4.400 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -16.717 -15.805 -7.273 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -18.464 -15.865 -7.021 1.00 0.00 H new ATOM 955 N GLY A 64 -11.602 -15.296 -4.771 1.00 0.00 N ATOM 956 CA GLY A 64 -10.487 -15.436 -5.712 1.00 0.00 C ATOM 957 C GLY A 64 -10.354 -14.290 -6.706 1.00 0.00 C ATOM 958 O GLY A 64 -9.573 -14.391 -7.660 1.00 0.00 O ATOM 0 H GLY A 64 -11.435 -14.617 -4.028 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.559 -15.520 -5.147 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.609 -16.368 -6.265 1.00 0.00 H new ATOM 962 N GLY A 65 -11.106 -13.198 -6.476 1.00 0.00 N ATOM 963 CA GLY A 65 -10.972 -11.976 -7.263 1.00 0.00 C ATOM 964 C GLY A 65 -11.414 -12.115 -8.717 1.00 0.00 C ATOM 965 O GLY A 65 -12.588 -12.405 -8.975 1.00 0.00 O ATOM 0 H GLY A 65 -11.815 -13.146 -5.745 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.558 -11.187 -6.791 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.930 -11.656 -7.241 1.00 0.00 H new ATOM 969 N LEU A 66 -10.465 -11.912 -9.653 1.00 0.00 N ATOM 970 CA LEU A 66 -10.744 -11.901 -11.110 1.00 0.00 C ATOM 971 C LEU A 66 -10.980 -13.329 -11.608 1.00 0.00 C ATOM 972 O LEU A 66 -11.995 -13.618 -12.261 1.00 0.00 O ATOM 973 CB LEU A 66 -9.567 -11.216 -11.884 1.00 0.00 C ATOM 974 CG LEU A 66 -9.748 -10.888 -13.425 1.00 0.00 C ATOM 975 CD1 LEU A 66 -8.747 -9.803 -13.879 1.00 0.00 C ATOM 976 CD2 LEU A 66 -9.602 -12.132 -14.343 1.00 0.00 C ATOM 0 H LEU A 66 -9.484 -11.751 -9.424 1.00 0.00 H new ATOM 0 HA LEU A 66 -11.648 -11.322 -11.297 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.338 -10.281 -11.373 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.691 -11.857 -11.785 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.770 -10.524 -13.528 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.891 -9.596 -14.939 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.913 -8.891 -13.305 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.729 -10.155 -13.713 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.738 -11.835 -15.383 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.609 -12.564 -14.215 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.357 -12.872 -14.076 1.00 0.00 H new ATOM 988 N GLU A 67 -10.022 -14.213 -11.290 1.00 0.00 N ATOM 989 CA GLU A 67 -10.047 -15.611 -11.715 1.00 0.00 C ATOM 990 C GLU A 67 -11.094 -16.392 -10.907 1.00 0.00 C ATOM 991 O GLU A 67 -11.267 -16.155 -9.705 1.00 0.00 O ATOM 992 CB GLU A 67 -8.635 -16.241 -11.555 1.00 0.00 C ATOM 993 CG GLU A 67 -8.528 -17.731 -11.947 1.00 0.00 C ATOM 994 CD GLU A 67 -8.794 -18.015 -13.441 1.00 0.00 C ATOM 995 OE1 GLU A 67 -9.984 -18.109 -13.850 1.00 0.00 O ATOM 996 OE2 GLU A 67 -7.823 -18.133 -14.217 1.00 0.00 O ATOM 0 H GLU A 67 -9.206 -13.972 -10.728 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.326 -15.660 -12.768 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.930 -15.672 -12.161 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.322 -16.132 -10.516 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.531 -18.091 -11.693 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.236 -18.304 -11.348 1.00 0.00 H new ATOM 1003 N HIS A 68 -11.804 -17.291 -11.594 1.00 0.00 N ATOM 1004 CA HIS A 68 -12.817 -18.168 -10.977 1.00 0.00 C ATOM 1005 C HIS A 68 -12.377 -19.640 -11.040 1.00 0.00 C ATOM 1006 O HIS A 68 -12.998 -20.502 -10.420 1.00 0.00 O ATOM 1007 CB HIS A 68 -14.199 -17.947 -11.668 1.00 0.00 C ATOM 1008 CG HIS A 68 -15.370 -18.416 -10.846 1.00 0.00 C ATOM 1009 ND1 HIS A 68 -15.826 -17.732 -9.742 1.00 0.00 N ATOM 1010 CD2 HIS A 68 -16.174 -19.494 -10.968 1.00 0.00 C ATOM 1011 CE1 HIS A 68 -16.846 -18.376 -9.217 1.00 0.00 C ATOM 1012 NE2 HIS A 68 -17.084 -19.448 -9.946 1.00 0.00 N ATOM 0 H HIS A 68 -11.696 -17.436 -12.598 1.00 0.00 H new ATOM 0 HA HIS A 68 -12.919 -17.910 -9.923 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -14.321 -16.886 -11.885 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -14.205 -18.471 -12.624 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -16.111 -20.254 -11.733 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -17.396 -18.077 -8.337 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -17.823 -20.130 -9.777 1.00 0.00 H new ATOM 1021 N HIS A 69 -11.298 -19.915 -11.791 1.00 0.00 N ATOM 1022 CA HIS A 69 -10.769 -21.275 -12.006 1.00 0.00 C ATOM 1023 C HIS A 69 -9.381 -21.371 -11.354 1.00 0.00 C ATOM 1024 O HIS A 69 -8.359 -21.143 -12.012 1.00 0.00 O ATOM 1025 CB HIS A 69 -10.688 -21.587 -13.533 1.00 0.00 C ATOM 1026 CG HIS A 69 -11.881 -21.102 -14.310 1.00 0.00 C ATOM 1027 ND1 HIS A 69 -11.844 -19.977 -15.107 1.00 0.00 N ATOM 1028 CD2 HIS A 69 -13.149 -21.563 -14.383 1.00 0.00 C ATOM 1029 CE1 HIS A 69 -13.030 -19.761 -15.625 1.00 0.00 C ATOM 1030 NE2 HIS A 69 -13.836 -20.714 -15.207 1.00 0.00 N ATOM 0 H HIS A 69 -10.762 -19.193 -12.272 1.00 0.00 H new ATOM 0 HA HIS A 69 -11.433 -22.010 -11.551 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -9.788 -21.129 -13.942 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -10.588 -22.664 -13.671 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -11.019 -19.400 -15.269 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -13.545 -22.436 -13.885 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -13.298 -18.945 -16.279 1.00 0.00 H new ATOM 1039 N HIS A 70 -9.357 -21.648 -10.052 1.00 0.00 N ATOM 1040 CA HIS A 70 -8.119 -21.642 -9.245 1.00 0.00 C ATOM 1041 C HIS A 70 -7.515 -23.049 -9.176 1.00 0.00 C ATOM 1042 O HIS A 70 -8.241 -24.045 -9.162 1.00 0.00 O ATOM 1043 CB HIS A 70 -8.426 -21.123 -7.818 1.00 0.00 C ATOM 1044 CG HIS A 70 -8.959 -19.725 -7.793 1.00 0.00 C ATOM 1045 ND1 HIS A 70 -8.143 -18.624 -7.908 1.00 0.00 N ATOM 1046 CD2 HIS A 70 -10.223 -19.243 -7.717 1.00 0.00 C ATOM 1047 CE1 HIS A 70 -8.871 -17.543 -7.911 1.00 0.00 C ATOM 1048 NE2 HIS A 70 -10.137 -17.885 -7.796 1.00 0.00 N ATOM 0 H HIS A 70 -10.193 -21.885 -9.517 1.00 0.00 H new ATOM 0 HA HIS A 70 -7.395 -20.980 -9.719 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -9.150 -21.788 -7.346 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.516 -21.167 -7.220 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -7.126 -18.649 -7.980 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -11.127 -19.825 -7.613 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -8.497 -16.533 -7.994 1.00 0.00 H new ATOM 1057 N HIS A 71 -6.175 -23.119 -9.161 1.00 0.00 N ATOM 1058 CA HIS A 71 -5.416 -24.363 -8.929 1.00 0.00 C ATOM 1059 C HIS A 71 -4.511 -24.142 -7.715 1.00 0.00 C ATOM 1060 O HIS A 71 -4.636 -24.818 -6.690 1.00 0.00 O ATOM 1061 CB HIS A 71 -4.588 -24.757 -10.188 1.00 0.00 C ATOM 1062 CG HIS A 71 -5.419 -25.192 -11.374 1.00 0.00 C ATOM 1063 ND1 HIS A 71 -5.468 -26.496 -11.824 1.00 0.00 N ATOM 1064 CD2 HIS A 71 -6.235 -24.490 -12.200 1.00 0.00 C ATOM 1065 CE1 HIS A 71 -6.267 -26.571 -12.869 1.00 0.00 C ATOM 1066 NE2 HIS A 71 -6.740 -25.373 -13.110 1.00 0.00 N ATOM 0 H HIS A 71 -5.579 -22.305 -9.311 1.00 0.00 H new ATOM 0 HA HIS A 71 -6.100 -25.189 -8.735 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -3.973 -23.907 -10.483 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -3.907 -25.565 -9.921 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -6.445 -23.432 -12.147 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -6.493 -27.466 -13.430 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -7.387 -25.137 -13.863 1.00 0.00 H new ATOM 1075 N HIS A 72 -3.593 -23.176 -7.852 1.00 0.00 N ATOM 1076 CA HIS A 72 -2.772 -22.647 -6.753 1.00 0.00 C ATOM 1077 C HIS A 72 -2.685 -21.128 -6.943 1.00 0.00 C ATOM 1078 O HIS A 72 -1.748 -20.628 -7.572 1.00 0.00 O ATOM 1079 CB HIS A 72 -1.359 -23.306 -6.740 1.00 0.00 C ATOM 1080 CG HIS A 72 -1.376 -24.762 -6.377 1.00 0.00 C ATOM 1081 ND1 HIS A 72 -1.176 -25.774 -7.292 1.00 0.00 N ATOM 1082 CD2 HIS A 72 -1.589 -25.372 -5.192 1.00 0.00 C ATOM 1083 CE1 HIS A 72 -1.277 -26.935 -6.688 1.00 0.00 C ATOM 1084 NE2 HIS A 72 -1.525 -26.717 -5.414 1.00 0.00 N ATOM 0 H HIS A 72 -3.396 -22.731 -8.748 1.00 0.00 H new ATOM 0 HA HIS A 72 -3.224 -22.880 -5.789 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.905 -23.191 -7.724 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.725 -22.772 -6.033 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -1.775 -24.887 -4.245 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -1.174 -27.903 -7.156 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -1.650 -27.439 -4.705 1.00 0.00 H new ATOM 1093 N HIS A 73 -3.725 -20.432 -6.439 1.00 0.00 N ATOM 1094 CA HIS A 73 -3.964 -18.995 -6.660 1.00 0.00 C ATOM 1095 C HIS A 73 -4.172 -18.722 -8.173 1.00 0.00 C ATOM 1096 O HIS A 73 -5.268 -19.037 -8.690 1.00 0.00 O ATOM 1097 CB HIS A 73 -2.831 -18.117 -6.035 1.00 0.00 C ATOM 1098 CG HIS A 73 -2.793 -18.138 -4.531 1.00 0.00 C ATOM 1099 ND1 HIS A 73 -1.810 -18.768 -3.797 1.00 0.00 N ATOM 1100 CD2 HIS A 73 -3.638 -17.598 -3.621 1.00 0.00 C ATOM 1101 CE1 HIS A 73 -2.061 -18.628 -2.515 1.00 0.00 C ATOM 1102 NE2 HIS A 73 -3.162 -17.921 -2.381 1.00 0.00 N ATOM 1103 OXT HIS A 73 -3.237 -18.227 -8.843 1.00 0.00 O ATOM 0 H HIS A 73 -4.438 -20.867 -5.853 1.00 0.00 H new ATOM 0 HA HIS A 73 -4.879 -18.706 -6.143 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.869 -18.460 -6.416 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -2.958 -17.087 -6.370 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.524 -17.019 -3.835 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -1.464 -19.026 -1.708 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -3.591 -17.656 -1.494 1.00 0.00 H new TER 1112 HIS A 73