USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 714 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 79 THR OG1 : rot 21:sc= -1.98! USER MOD Set 1.2: A 82 THR OG1 : rot 84:sc= 1.76 USER MOD Set 2.1: A 68 ASN :FLIP amide:sc= -2.66 F(o=-12!,f=-4.3) USER MOD Set 2.2: A 78 MET CE :methyl 168:sc= -1.6 (180deg=-0.025) USER MOD Set 3.1: A 39 CYS SG : rot -107:sc= -0.907 USER MOD Set 3.2: A 45 CYS SG : rot 126:sc= -1.84! USER MOD Set 3.3: A 47 THR OG1 : rot 180:sc= 0.345 USER MOD Set 3.4: A 48 CYS SG : rot 178:sc= 0.244 USER MOD Set 3.5: A 86 CYS SG : rot 180:sc= 0.0534 USER MOD Single : A 9 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.13) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot -150:sc= -0.915 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 21 GLN :FLIP amide:sc= -3.39! C(o=-4.4!,f=-3.4!) USER MOD Single : A 22 SER OG : rot 155:sc= 0.735 USER MOD Single : A 24 MET CE :methyl -107:sc= -3.33! (180deg=-8.23!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN :FLIP amide:sc= -0.133 F(o=-0.79,f=-0.13) USER MOD Single : A 30 ASN : amide:sc= -33! C(o=-33!,f=-34!) USER MOD Single : A 42 SER OG : rot -4:sc= 1 USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -1.19 K(o=-1.2,f=-2.8!) USER MOD Single : A 72 GLN : amide:sc= -0.02 X(o=-0.02,f=0) USER MOD Single : A 73 SER OG : rot -38:sc= 0.547 USER MOD Single : A 74 THR OG1 : rot -47:sc= 1.3 USER MOD Single : A 85 SER OG : rot 150:sc= -1.19 USER MOD Single : A 87 GLN : amide:sc= -0.137 K(o=-0.14,f=-0.67) USER MOD Single : A 93 SER OG : rot -100:sc= 0.996 USER MOD Single : A 94 MET CE :methyl -156:sc= -11.1! (180deg=-12.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 3.683 13.871 -5.104 1.00 0.00 N ATOM 2 CA PRO A 1 4.238 13.977 -3.723 1.00 0.00 C ATOM 3 C PRO A 1 5.547 13.246 -3.547 1.00 0.00 C ATOM 4 O PRO A 1 6.220 12.877 -4.504 1.00 0.00 O ATOM 5 CB PRO A 1 3.218 13.345 -2.804 1.00 0.00 C ATOM 6 CG PRO A 1 1.974 13.493 -3.558 1.00 0.00 C ATOM 7 CD PRO A 1 2.387 13.165 -4.966 1.00 0.00 C ATOM 0 H2 PRO A 1 4.317 13.356 -5.715 1.00 0.00 H new ATOM 0 H3 PRO A 1 3.554 14.794 -5.518 1.00 0.00 H new ATOM 0 HA PRO A 1 4.432 15.027 -3.506 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.448 12.299 -2.602 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.171 13.853 -1.841 1.00 0.00 H new ATOM 0 HG2 PRO A 1 1.201 12.815 -3.197 1.00 0.00 H new ATOM 0 HG3 PRO A 1 1.574 14.504 -3.481 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.494 12.091 -5.116 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.656 13.517 -5.694 1.00 0.00 H new ATOM 17 N ARG A 2 5.852 13.018 -2.281 1.00 0.00 N ATOM 18 CA ARG A 2 7.047 12.288 -1.870 1.00 0.00 C ATOM 19 C ARG A 2 6.581 11.014 -1.188 1.00 0.00 C ATOM 20 O ARG A 2 5.425 10.946 -0.772 1.00 0.00 O ATOM 21 CB ARG A 2 7.887 13.151 -0.917 1.00 0.00 C ATOM 22 CG ARG A 2 9.007 12.405 -0.207 1.00 0.00 C ATOM 23 CD ARG A 2 10.350 12.644 -0.878 1.00 0.00 C ATOM 24 NE ARG A 2 11.419 12.842 0.095 1.00 0.00 N ATOM 25 CZ ARG A 2 11.623 13.986 0.740 1.00 0.00 C ATOM 26 NH1 ARG A 2 10.840 15.030 0.504 1.00 0.00 N ATOM 27 NH2 ARG A 2 12.611 14.088 1.619 1.00 0.00 N ATOM 0 H ARG A 2 5.276 13.335 -1.501 1.00 0.00 H new ATOM 0 HA ARG A 2 7.676 12.046 -2.727 1.00 0.00 H new ATOM 0 HB2 ARG A 2 8.319 13.977 -1.482 1.00 0.00 H new ATOM 0 HB3 ARG A 2 7.227 13.588 -0.167 1.00 0.00 H new ATOM 0 HG2 ARG A 2 9.057 12.726 0.833 1.00 0.00 H new ATOM 0 HG3 ARG A 2 8.787 11.337 -0.201 1.00 0.00 H new ATOM 0 HD2 ARG A 2 10.593 11.794 -1.516 1.00 0.00 H new ATOM 0 HD3 ARG A 2 10.282 13.519 -1.525 1.00 0.00 H new ATOM 0 HE ARG A 2 12.044 12.060 0.291 1.00 0.00 H new ATOM 0 HH11 ARG A 2 10.081 14.955 -0.173 1.00 0.00 H new ATOM 0 HH12 ARG A 2 10.997 15.908 0.999 1.00 0.00 H new ATOM 0 HH21 ARG A 2 13.216 13.287 1.801 1.00 0.00 H new ATOM 0 HH22 ARG A 2 12.766 14.967 2.113 1.00 0.00 H new ATOM 41 N VAL A 3 7.410 9.984 -1.080 1.00 0.00 N ATOM 42 CA VAL A 3 6.924 8.788 -0.455 1.00 0.00 C ATOM 43 C VAL A 3 8.035 7.918 0.086 1.00 0.00 C ATOM 44 O VAL A 3 9.205 8.078 -0.248 1.00 0.00 O ATOM 45 CB VAL A 3 6.026 8.034 -1.453 1.00 0.00 C ATOM 46 CG1 VAL A 3 6.138 6.544 -1.383 1.00 0.00 C ATOM 47 CG2 VAL A 3 4.606 8.382 -1.210 1.00 0.00 C ATOM 0 H VAL A 3 8.377 9.960 -1.404 1.00 0.00 H new ATOM 0 HA VAL A 3 6.334 9.066 0.418 1.00 0.00 H new ATOM 0 HB VAL A 3 6.370 8.346 -2.439 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.472 6.094 -2.119 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.165 6.246 -1.593 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.858 6.205 -0.386 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.974 7.846 -1.918 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.331 8.101 -0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.467 9.455 -1.339 1.00 0.00 H new ATOM 57 N VAL A 4 7.652 6.986 0.930 1.00 0.00 N ATOM 58 CA VAL A 4 8.617 6.080 1.512 1.00 0.00 C ATOM 59 C VAL A 4 7.999 4.737 1.809 1.00 0.00 C ATOM 60 O VAL A 4 7.203 4.590 2.724 1.00 0.00 O ATOM 61 CB VAL A 4 9.286 6.652 2.774 1.00 0.00 C ATOM 62 CG1 VAL A 4 9.906 5.542 3.612 1.00 0.00 C ATOM 63 CG2 VAL A 4 10.341 7.661 2.370 1.00 0.00 C ATOM 0 H VAL A 4 6.688 6.836 1.227 1.00 0.00 H new ATOM 0 HA VAL A 4 9.399 5.949 0.764 1.00 0.00 H new ATOM 0 HB VAL A 4 8.528 7.145 3.382 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.372 5.972 4.498 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.130 4.839 3.915 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.660 5.019 3.023 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.816 8.068 3.263 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.092 7.173 1.749 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.875 8.469 1.807 1.00 0.00 H new ATOM 73 N PHE A 5 8.415 3.766 1.032 1.00 0.00 N ATOM 74 CA PHE A 5 7.952 2.399 1.165 1.00 0.00 C ATOM 75 C PHE A 5 8.855 1.654 2.135 1.00 0.00 C ATOM 76 O PHE A 5 9.874 2.183 2.573 1.00 0.00 O ATOM 77 CB PHE A 5 8.044 1.704 -0.179 1.00 0.00 C ATOM 78 CG PHE A 5 6.987 2.056 -1.190 1.00 0.00 C ATOM 79 CD1 PHE A 5 6.383 3.316 -1.245 1.00 0.00 C ATOM 80 CD2 PHE A 5 6.613 1.104 -2.123 1.00 0.00 C ATOM 81 CE1 PHE A 5 5.437 3.594 -2.211 1.00 0.00 C ATOM 82 CE2 PHE A 5 5.673 1.375 -3.082 1.00 0.00 C ATOM 83 CZ PHE A 5 5.081 2.620 -3.133 1.00 0.00 C ATOM 0 H PHE A 5 9.092 3.901 0.281 1.00 0.00 H new ATOM 0 HA PHE A 5 6.923 2.405 1.525 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.019 1.927 -0.613 1.00 0.00 H new ATOM 0 HB3 PHE A 5 8.009 0.628 -0.010 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.658 4.075 -0.528 1.00 0.00 H new ATOM 0 HD2 PHE A 5 7.072 0.127 -2.094 1.00 0.00 H new ATOM 0 HE1 PHE A 5 4.974 4.569 -2.249 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.396 0.615 -3.797 1.00 0.00 H new ATOM 0 HZ PHE A 5 4.341 2.836 -3.890 1.00 0.00 H new ATOM 93 N ILE A 6 8.487 0.424 2.442 1.00 0.00 N ATOM 94 CA ILE A 6 9.244 -0.417 3.330 1.00 0.00 C ATOM 95 C ILE A 6 9.016 -1.882 2.981 1.00 0.00 C ATOM 96 O ILE A 6 8.036 -2.219 2.317 1.00 0.00 O ATOM 97 CB ILE A 6 8.830 -0.188 4.775 1.00 0.00 C ATOM 98 CG1 ILE A 6 8.807 1.308 5.092 1.00 0.00 C ATOM 99 CG2 ILE A 6 9.773 -0.928 5.682 1.00 0.00 C ATOM 100 CD1 ILE A 6 10.170 1.937 5.092 1.00 0.00 C ATOM 0 H ILE A 6 7.644 -0.017 2.074 1.00 0.00 H new ATOM 0 HA ILE A 6 10.298 -0.165 3.215 1.00 0.00 H new ATOM 0 HB ILE A 6 7.822 -0.570 4.934 1.00 0.00 H new ATOM 0 HG12 ILE A 6 8.180 1.817 4.361 1.00 0.00 H new ATOM 0 HG13 ILE A 6 8.345 1.458 6.068 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.481 -0.767 6.720 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.735 -1.993 5.455 1.00 0.00 H new ATOM 0 HG23 ILE A 6 10.788 -0.561 5.530 1.00 0.00 H new ATOM 0 HD11 ILE A 6 10.081 2.998 5.324 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.794 1.453 5.843 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.626 1.817 4.109 1.00 0.00 H new ATOM 112 N ASP A 7 9.915 -2.751 3.421 1.00 0.00 N ATOM 113 CA ASP A 7 9.782 -4.171 3.132 1.00 0.00 C ATOM 114 C ASP A 7 10.800 -4.991 3.909 1.00 0.00 C ATOM 115 O ASP A 7 11.490 -4.479 4.786 1.00 0.00 O ATOM 116 CB ASP A 7 9.936 -4.399 1.634 1.00 0.00 C ATOM 117 CG ASP A 7 9.135 -5.588 1.140 1.00 0.00 C ATOM 118 OD1 ASP A 7 8.792 -6.458 1.968 1.00 0.00 O ATOM 119 OD2 ASP A 7 8.852 -5.651 -0.075 1.00 0.00 O ATOM 0 H ASP A 7 10.735 -2.501 3.973 1.00 0.00 H new ATOM 0 HA ASP A 7 8.792 -4.501 3.447 1.00 0.00 H new ATOM 0 HB2 ASP A 7 9.618 -3.504 1.099 1.00 0.00 H new ATOM 0 HB3 ASP A 7 10.989 -4.553 1.400 1.00 0.00 H new ATOM 124 N GLU A 8 10.871 -6.273 3.589 1.00 0.00 N ATOM 125 CA GLU A 8 11.784 -7.180 4.258 1.00 0.00 C ATOM 126 C GLU A 8 12.973 -7.537 3.370 1.00 0.00 C ATOM 127 O GLU A 8 13.863 -8.282 3.780 1.00 0.00 O ATOM 128 CB GLU A 8 11.033 -8.443 4.661 1.00 0.00 C ATOM 129 CG GLU A 8 11.342 -8.906 6.069 1.00 0.00 C ATOM 130 CD GLU A 8 11.778 -10.357 6.125 1.00 0.00 C ATOM 131 OE1 GLU A 8 11.791 -11.014 5.063 1.00 0.00 O ATOM 132 OE2 GLU A 8 12.106 -10.837 7.231 1.00 0.00 O ATOM 0 H GLU A 8 10.302 -6.710 2.864 1.00 0.00 H new ATOM 0 HA GLU A 8 12.175 -6.682 5.145 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.962 -8.263 4.573 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.280 -9.242 3.962 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.128 -8.278 6.489 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.459 -8.772 6.693 1.00 0.00 H new ATOM 139 N GLN A 9 12.987 -7.001 2.155 1.00 0.00 N ATOM 140 CA GLN A 9 14.074 -7.265 1.219 1.00 0.00 C ATOM 141 C GLN A 9 15.187 -6.235 1.380 1.00 0.00 C ATOM 142 O GLN A 9 16.371 -6.569 1.324 1.00 0.00 O ATOM 143 CB GLN A 9 13.552 -7.251 -0.219 1.00 0.00 C ATOM 144 CG GLN A 9 12.896 -8.557 -0.640 1.00 0.00 C ATOM 145 CD GLN A 9 13.890 -9.696 -0.760 1.00 0.00 C ATOM 146 OE1 GLN A 9 13.852 -10.652 0.014 1.00 0.00 O ATOM 147 NE2 GLN A 9 14.787 -9.598 -1.734 1.00 0.00 N ATOM 0 H GLN A 9 12.260 -6.382 1.795 1.00 0.00 H new ATOM 0 HA GLN A 9 14.481 -8.252 1.439 1.00 0.00 H new ATOM 0 HB2 GLN A 9 12.831 -6.440 -0.327 1.00 0.00 H new ATOM 0 HB3 GLN A 9 14.379 -7.035 -0.895 1.00 0.00 H new ATOM 0 HG2 GLN A 9 12.128 -8.824 0.086 1.00 0.00 H new ATOM 0 HG3 GLN A 9 12.394 -8.415 -1.597 1.00 0.00 H new ATOM 0 HE21 GLN A 9 14.781 -8.787 -2.353 1.00 0.00 H new ATOM 0 HE22 GLN A 9 15.482 -10.334 -1.864 1.00 0.00 H new ATOM 156 N SER A 10 14.794 -4.983 1.588 1.00 0.00 N ATOM 157 CA SER A 10 15.750 -3.896 1.766 1.00 0.00 C ATOM 158 C SER A 10 15.441 -3.104 3.034 1.00 0.00 C ATOM 159 O SER A 10 16.168 -2.178 3.394 1.00 0.00 O ATOM 160 CB SER A 10 15.729 -2.965 0.552 1.00 0.00 C ATOM 161 OG SER A 10 16.985 -2.334 0.373 1.00 0.00 O ATOM 0 H SER A 10 13.817 -4.695 1.638 1.00 0.00 H new ATOM 0 HA SER A 10 16.744 -4.332 1.863 1.00 0.00 H new ATOM 0 HB2 SER A 10 15.473 -3.534 -0.342 1.00 0.00 H new ATOM 0 HB3 SER A 10 14.954 -2.210 0.682 1.00 0.00 H new ATOM 0 HG SER A 10 16.947 -1.745 -0.410 1.00 0.00 H new ATOM 167 N GLY A 11 14.358 -3.477 3.707 1.00 0.00 N ATOM 168 CA GLY A 11 13.964 -2.800 4.927 1.00 0.00 C ATOM 169 C GLY A 11 13.621 -1.344 4.708 1.00 0.00 C ATOM 170 O GLY A 11 13.581 -0.557 5.654 1.00 0.00 O ATOM 0 H GLY A 11 13.743 -4.241 3.427 1.00 0.00 H new ATOM 0 HA2 GLY A 11 13.102 -3.310 5.357 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.773 -2.872 5.654 1.00 0.00 H new ATOM 174 N GLU A 12 13.359 -0.989 3.462 1.00 0.00 N ATOM 175 CA GLU A 12 12.999 0.380 3.117 1.00 0.00 C ATOM 176 C GLU A 12 13.017 0.600 1.620 1.00 0.00 C ATOM 177 O GLU A 12 13.837 0.031 0.898 1.00 0.00 O ATOM 178 CB GLU A 12 13.933 1.377 3.796 1.00 0.00 C ATOM 179 CG GLU A 12 13.871 2.767 3.181 1.00 0.00 C ATOM 180 CD GLU A 12 14.722 3.776 3.927 1.00 0.00 C ATOM 181 OE1 GLU A 12 15.396 3.378 4.901 1.00 0.00 O ATOM 182 OE2 GLU A 12 14.713 4.963 3.539 1.00 0.00 O ATOM 0 H GLU A 12 13.388 -1.630 2.669 1.00 0.00 H new ATOM 0 HA GLU A 12 11.983 0.544 3.476 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.678 1.442 4.854 1.00 0.00 H new ATOM 0 HB3 GLU A 12 14.956 1.005 3.737 1.00 0.00 H new ATOM 0 HG2 GLU A 12 14.201 2.716 2.144 1.00 0.00 H new ATOM 0 HG3 GLU A 12 12.836 3.109 3.169 1.00 0.00 H new ATOM 189 N TYR A 13 12.096 1.428 1.165 1.00 0.00 N ATOM 190 CA TYR A 13 11.978 1.736 -0.243 1.00 0.00 C ATOM 191 C TYR A 13 11.498 3.169 -0.453 1.00 0.00 C ATOM 192 O TYR A 13 10.455 3.409 -1.059 1.00 0.00 O ATOM 193 CB TYR A 13 11.034 0.734 -0.881 1.00 0.00 C ATOM 194 CG TYR A 13 11.645 -0.632 -0.983 1.00 0.00 C ATOM 195 CD1 TYR A 13 11.710 -1.469 0.125 1.00 0.00 C ATOM 196 CD2 TYR A 13 12.158 -1.083 -2.185 1.00 0.00 C ATOM 197 CE1 TYR A 13 12.276 -2.731 0.032 1.00 0.00 C ATOM 198 CE2 TYR A 13 12.724 -2.333 -2.294 1.00 0.00 C ATOM 199 CZ TYR A 13 12.783 -3.159 -1.184 1.00 0.00 C ATOM 200 OH TYR A 13 13.349 -4.410 -1.288 1.00 0.00 O ATOM 0 H TYR A 13 11.414 1.902 1.758 1.00 0.00 H new ATOM 0 HA TYR A 13 12.956 1.661 -0.718 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.117 0.677 -0.295 1.00 0.00 H new ATOM 0 HB3 TYR A 13 10.756 1.081 -1.876 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.314 -1.131 1.071 1.00 0.00 H new ATOM 0 HD2 TYR A 13 12.114 -0.443 -3.054 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.321 -3.374 0.899 1.00 0.00 H new ATOM 0 HE2 TYR A 13 13.120 -2.668 -3.241 1.00 0.00 H new ATOM 0 HH TYR A 13 14.045 -4.398 -1.978 1.00 0.00 H new ATOM 210 N ALA A 14 12.285 4.114 0.056 1.00 0.00 N ATOM 211 CA ALA A 14 11.967 5.535 -0.065 1.00 0.00 C ATOM 212 C ALA A 14 11.638 5.890 -1.502 1.00 0.00 C ATOM 213 O ALA A 14 12.234 5.354 -2.437 1.00 0.00 O ATOM 214 CB ALA A 14 13.123 6.382 0.445 1.00 0.00 C ATOM 0 H ALA A 14 13.151 3.920 0.558 1.00 0.00 H new ATOM 0 HA ALA A 14 11.089 5.745 0.546 1.00 0.00 H new ATOM 0 HB1 ALA A 14 12.871 7.438 0.348 1.00 0.00 H new ATOM 0 HB2 ALA A 14 13.311 6.148 1.493 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.017 6.167 -0.140 1.00 0.00 H new ATOM 220 N VAL A 15 10.668 6.777 -1.678 1.00 0.00 N ATOM 221 CA VAL A 15 10.254 7.166 -3.009 1.00 0.00 C ATOM 222 C VAL A 15 9.379 8.404 -3.006 1.00 0.00 C ATOM 223 O VAL A 15 9.460 9.254 -2.123 1.00 0.00 O ATOM 224 CB VAL A 15 9.531 5.989 -3.692 1.00 0.00 C ATOM 225 CG1 VAL A 15 8.092 5.806 -3.184 1.00 0.00 C ATOM 226 CG2 VAL A 15 9.594 6.137 -5.208 1.00 0.00 C ATOM 0 H VAL A 15 10.160 7.234 -0.921 1.00 0.00 H new ATOM 0 HA VAL A 15 11.151 7.421 -3.573 1.00 0.00 H new ATOM 0 HB VAL A 15 10.056 5.074 -3.420 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.629 4.964 -3.698 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.107 5.613 -2.111 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.518 6.711 -3.382 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.079 5.299 -5.677 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.112 7.069 -5.503 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.635 6.149 -5.529 1.00 0.00 H new ATOM 236 N ASP A 16 8.570 8.500 -4.024 1.00 0.00 N ATOM 237 CA ASP A 16 7.675 9.596 -4.212 1.00 0.00 C ATOM 238 C ASP A 16 6.566 9.158 -5.119 1.00 0.00 C ATOM 239 O ASP A 16 6.668 8.143 -5.803 1.00 0.00 O ATOM 240 CB ASP A 16 8.370 10.755 -4.867 1.00 0.00 C ATOM 241 CG ASP A 16 9.823 10.887 -4.454 1.00 0.00 C ATOM 242 OD1 ASP A 16 10.675 10.197 -5.053 1.00 0.00 O ATOM 243 OD2 ASP A 16 10.109 11.681 -3.534 1.00 0.00 O ATOM 0 H ASP A 16 8.517 7.798 -4.762 1.00 0.00 H new ATOM 0 HA ASP A 16 7.300 9.905 -3.236 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.315 10.639 -5.949 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.842 11.676 -4.618 1.00 0.00 H new ATOM 248 N ALA A 17 5.513 9.914 -5.122 1.00 0.00 N ATOM 249 CA ALA A 17 4.380 9.590 -5.937 1.00 0.00 C ATOM 250 C ALA A 17 3.738 10.832 -6.524 1.00 0.00 C ATOM 251 O ALA A 17 4.264 11.936 -6.397 1.00 0.00 O ATOM 252 CB ALA A 17 3.420 8.836 -5.071 1.00 0.00 C ATOM 0 H ALA A 17 5.412 10.764 -4.567 1.00 0.00 H new ATOM 0 HA ALA A 17 4.687 8.983 -6.789 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.538 8.568 -5.653 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.899 7.930 -4.700 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.122 9.460 -4.228 1.00 0.00 H new ATOM 258 N GLN A 18 2.597 10.641 -7.161 1.00 0.00 N ATOM 259 CA GLN A 18 1.861 11.744 -7.766 1.00 0.00 C ATOM 260 C GLN A 18 0.362 11.544 -7.587 1.00 0.00 C ATOM 261 O GLN A 18 -0.171 10.479 -7.901 1.00 0.00 O ATOM 262 CB GLN A 18 2.201 11.867 -9.251 1.00 0.00 C ATOM 263 CG GLN A 18 3.690 11.786 -9.542 1.00 0.00 C ATOM 264 CD GLN A 18 4.035 12.238 -10.947 1.00 0.00 C ATOM 265 OE1 GLN A 18 3.177 12.267 -11.830 1.00 0.00 O ATOM 266 NE2 GLN A 18 5.295 12.595 -11.162 1.00 0.00 N ATOM 0 H GLN A 18 2.155 9.729 -7.275 1.00 0.00 H new ATOM 0 HA GLN A 18 2.154 12.666 -7.265 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.688 11.077 -9.799 1.00 0.00 H new ATOM 0 HB3 GLN A 18 1.817 12.816 -9.626 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.231 12.402 -8.823 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.029 10.760 -9.401 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.973 12.555 -10.401 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.585 12.909 -12.088 1.00 0.00 H new ATOM 275 N ASP A 19 -0.313 12.567 -7.073 1.00 0.00 N ATOM 276 CA ASP A 19 -1.751 12.492 -6.851 1.00 0.00 C ATOM 277 C ASP A 19 -2.423 11.702 -7.958 1.00 0.00 C ATOM 278 O ASP A 19 -2.499 12.144 -9.104 1.00 0.00 O ATOM 279 CB ASP A 19 -2.353 13.890 -6.732 1.00 0.00 C ATOM 280 CG ASP A 19 -1.507 14.811 -5.875 1.00 0.00 C ATOM 281 OD1 ASP A 19 -1.358 14.528 -4.668 1.00 0.00 O ATOM 282 OD2 ASP A 19 -0.992 15.814 -6.412 1.00 0.00 O ATOM 0 H ASP A 19 0.112 13.454 -6.803 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.926 11.970 -5.910 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.462 14.322 -7.727 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -3.353 13.817 -6.305 1.00 0.00 H new ATOM 287 N GLY A 20 -2.895 10.517 -7.598 1.00 0.00 N ATOM 288 CA GLY A 20 -3.542 9.652 -8.555 1.00 0.00 C ATOM 289 C GLY A 20 -2.840 8.315 -8.679 1.00 0.00 C ATOM 290 O GLY A 20 -3.283 7.446 -9.429 1.00 0.00 O ATOM 0 H GLY A 20 -2.839 10.140 -6.652 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.578 9.491 -8.256 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.564 10.141 -9.529 1.00 0.00 H new ATOM 294 N GLN A 21 -1.745 8.139 -7.934 1.00 0.00 N ATOM 295 CA GLN A 21 -1.008 6.886 -7.974 1.00 0.00 C ATOM 296 C GLN A 21 -1.043 6.210 -6.619 1.00 0.00 C ATOM 297 O GLN A 21 -1.184 6.867 -5.589 1.00 0.00 O ATOM 298 CB GLN A 21 0.442 7.124 -8.388 1.00 0.00 C ATOM 299 CG GLN A 21 0.597 7.757 -9.760 1.00 0.00 C ATOM 300 CD GLN A 21 1.896 8.529 -9.910 1.00 0.00 C ATOM 301 OE1 GLN A 21 2.824 8.328 -8.979 1.00 0.00 O flip ATOM 302 NE2 GLN A 21 2.067 9.295 -10.859 1.00 0.00 N flip ATOM 0 H GLN A 21 -1.358 8.843 -7.305 1.00 0.00 H new ATOM 0 HA GLN A 21 -1.484 6.239 -8.711 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.920 7.765 -7.647 1.00 0.00 H new ATOM 0 HB3 GLN A 21 0.973 6.172 -8.376 1.00 0.00 H new ATOM 0 HG2 GLN A 21 0.553 6.978 -10.521 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -0.242 8.428 -9.942 1.00 0.00 H new ATOM 0 HE21 GLN A 21 1.329 9.421 -11.552 1.00 0.00 H new ATOM 0 HE22 GLN A 21 2.946 9.803 -10.952 1.00 0.00 H new ATOM 311 N SER A 22 -0.918 4.894 -6.620 1.00 0.00 N ATOM 312 CA SER A 22 -0.946 4.144 -5.381 1.00 0.00 C ATOM 313 C SER A 22 0.452 3.730 -4.952 1.00 0.00 C ATOM 314 O SER A 22 1.442 4.077 -5.594 1.00 0.00 O ATOM 315 CB SER A 22 -1.827 2.902 -5.525 1.00 0.00 C ATOM 316 OG SER A 22 -1.368 2.073 -6.579 1.00 0.00 O ATOM 0 H SER A 22 -0.797 4.328 -7.460 1.00 0.00 H new ATOM 0 HA SER A 22 -1.364 4.796 -4.614 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.827 2.341 -4.590 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.857 3.203 -5.716 1.00 0.00 H new ATOM 0 HG SER A 22 -1.653 1.149 -6.417 1.00 0.00 H new ATOM 322 N LEU A 23 0.517 2.974 -3.863 1.00 0.00 N ATOM 323 CA LEU A 23 1.792 2.494 -3.347 1.00 0.00 C ATOM 324 C LEU A 23 2.179 1.187 -4.024 1.00 0.00 C ATOM 325 O LEU A 23 3.147 0.532 -3.638 1.00 0.00 O ATOM 326 CB LEU A 23 1.716 2.309 -1.834 1.00 0.00 C ATOM 327 CG LEU A 23 1.343 3.570 -1.052 1.00 0.00 C ATOM 328 CD1 LEU A 23 1.834 4.815 -1.771 1.00 0.00 C ATOM 329 CD2 LEU A 23 -0.161 3.636 -0.843 1.00 0.00 C ATOM 0 H LEU A 23 -0.296 2.681 -3.322 1.00 0.00 H new ATOM 0 HA LEU A 23 2.558 3.237 -3.567 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.984 1.532 -1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.681 1.949 -1.477 1.00 0.00 H new ATOM 0 HG LEU A 23 1.829 3.525 -0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.558 5.699 -1.197 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.918 4.773 -1.873 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.379 4.867 -2.760 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.412 4.538 -0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.662 3.657 -1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.489 2.760 -0.283 1.00 0.00 H new ATOM 341 N MET A 24 1.422 0.827 -5.055 1.00 0.00 N ATOM 342 CA MET A 24 1.686 -0.383 -5.812 1.00 0.00 C ATOM 343 C MET A 24 2.489 -0.037 -7.052 1.00 0.00 C ATOM 344 O MET A 24 3.302 -0.831 -7.526 1.00 0.00 O ATOM 345 CB MET A 24 0.377 -1.068 -6.213 1.00 0.00 C ATOM 346 CG MET A 24 0.582 -2.346 -7.011 1.00 0.00 C ATOM 347 SD MET A 24 -0.488 -2.443 -8.459 1.00 0.00 S ATOM 348 CE MET A 24 -0.258 -4.154 -8.934 1.00 0.00 C ATOM 0 H MET A 24 0.618 1.361 -5.384 1.00 0.00 H new ATOM 0 HA MET A 24 2.255 -1.071 -5.187 1.00 0.00 H new ATOM 0 HB2 MET A 24 -0.194 -1.298 -5.313 1.00 0.00 H new ATOM 0 HB3 MET A 24 -0.222 -0.373 -6.802 1.00 0.00 H new ATOM 0 HG2 MET A 24 1.623 -2.408 -7.329 1.00 0.00 H new ATOM 0 HG3 MET A 24 0.394 -3.205 -6.367 1.00 0.00 H new ATOM 0 HE1 MET A 24 0.353 -4.202 -9.835 1.00 0.00 H new ATOM 0 HE2 MET A 24 0.241 -4.692 -8.128 1.00 0.00 H new ATOM 0 HE3 MET A 24 -1.228 -4.611 -9.129 1.00 0.00 H new ATOM 358 N GLU A 25 2.254 1.164 -7.570 1.00 0.00 N ATOM 359 CA GLU A 25 2.954 1.629 -8.755 1.00 0.00 C ATOM 360 C GLU A 25 4.243 2.323 -8.388 1.00 0.00 C ATOM 361 O GLU A 25 5.260 2.114 -9.049 1.00 0.00 O ATOM 362 CB GLU A 25 2.063 2.550 -9.591 1.00 0.00 C ATOM 363 CG GLU A 25 0.580 2.403 -9.286 1.00 0.00 C ATOM 364 CD GLU A 25 -0.298 2.806 -10.454 1.00 0.00 C ATOM 365 OE1 GLU A 25 0.247 3.301 -11.464 1.00 0.00 O ATOM 366 OE2 GLU A 25 -1.531 2.630 -10.358 1.00 0.00 O ATOM 0 H GLU A 25 1.584 1.830 -7.186 1.00 0.00 H new ATOM 0 HA GLU A 25 3.201 0.756 -9.358 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.360 3.584 -9.418 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.230 2.343 -10.648 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.369 1.368 -9.018 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.329 3.014 -8.419 1.00 0.00 H new ATOM 373 N VAL A 26 4.242 3.119 -7.326 1.00 0.00 N ATOM 374 CA VAL A 26 5.484 3.753 -6.942 1.00 0.00 C ATOM 375 C VAL A 26 6.545 2.679 -6.894 1.00 0.00 C ATOM 376 O VAL A 26 7.547 2.728 -7.594 1.00 0.00 O ATOM 377 CB VAL A 26 5.469 4.426 -5.563 1.00 0.00 C ATOM 378 CG1 VAL A 26 6.314 5.654 -5.601 1.00 0.00 C ATOM 379 CG2 VAL A 26 4.104 4.782 -5.084 1.00 0.00 C ATOM 0 H VAL A 26 3.433 3.331 -6.742 1.00 0.00 H new ATOM 0 HA VAL A 26 5.667 4.538 -7.676 1.00 0.00 H new ATOM 0 HB VAL A 26 5.867 3.696 -4.858 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.304 6.133 -4.622 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.337 5.384 -5.862 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.919 6.344 -6.347 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.174 5.253 -4.104 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.641 5.474 -5.787 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.497 3.879 -5.010 1.00 0.00 H new ATOM 389 N ALA A 27 6.275 1.695 -6.051 1.00 0.00 N ATOM 390 CA ALA A 27 7.161 0.567 -5.853 1.00 0.00 C ATOM 391 C ALA A 27 7.996 0.263 -7.082 1.00 0.00 C ATOM 392 O ALA A 27 9.197 0.531 -7.116 1.00 0.00 O ATOM 393 CB ALA A 27 6.365 -0.672 -5.483 1.00 0.00 C ATOM 0 H ALA A 27 5.429 1.660 -5.483 1.00 0.00 H new ATOM 0 HA ALA A 27 7.836 0.841 -5.042 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.045 -1.511 -5.337 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.813 -0.488 -4.561 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.665 -0.907 -6.284 1.00 0.00 H new ATOM 399 N THR A 28 7.354 -0.321 -8.081 1.00 0.00 N ATOM 400 CA THR A 28 8.047 -0.687 -9.304 1.00 0.00 C ATOM 401 C THR A 28 8.880 0.486 -9.798 1.00 0.00 C ATOM 402 O THR A 28 9.937 0.302 -10.400 1.00 0.00 O ATOM 403 CB THR A 28 7.063 -1.132 -10.390 1.00 0.00 C ATOM 404 OG1 THR A 28 6.859 -0.098 -11.336 1.00 0.00 O ATOM 405 CG2 THR A 28 5.705 -1.545 -9.866 1.00 0.00 C ATOM 0 H THR A 28 6.360 -0.550 -8.069 1.00 0.00 H new ATOM 0 HA THR A 28 8.704 -1.528 -9.084 1.00 0.00 H new ATOM 0 HB THR A 28 7.530 -2.007 -10.843 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.229 -0.402 -12.022 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.070 -1.845 -10.699 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.820 -2.382 -9.177 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.246 -0.706 -9.344 1.00 0.00 H new ATOM 413 N GLN A 29 8.408 1.693 -9.516 1.00 0.00 N ATOM 414 CA GLN A 29 9.124 2.902 -9.909 1.00 0.00 C ATOM 415 C GLN A 29 10.299 3.159 -8.969 1.00 0.00 C ATOM 416 O GLN A 29 11.329 3.699 -9.373 1.00 0.00 O ATOM 417 CB GLN A 29 8.183 4.107 -9.923 1.00 0.00 C ATOM 418 CG GLN A 29 6.925 3.888 -10.748 1.00 0.00 C ATOM 419 CD GLN A 29 6.896 4.736 -12.004 1.00 0.00 C ATOM 420 OE1 GLN A 29 8.065 4.975 -12.586 1.00 0.00 O flip ATOM 421 NE2 GLN A 29 5.833 5.173 -12.447 1.00 0.00 N flip ATOM 0 H GLN A 29 7.534 1.862 -9.018 1.00 0.00 H new ATOM 0 HA GLN A 29 9.511 2.755 -10.917 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.898 4.347 -8.899 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.719 4.971 -10.316 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.854 2.836 -11.023 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.051 4.118 -10.139 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.957 4.965 -11.968 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.829 5.743 -13.293 1.00 0.00 H new ATOM 430 N ASN A 30 10.130 2.766 -7.712 1.00 0.00 N ATOM 431 CA ASN A 30 11.166 2.945 -6.693 1.00 0.00 C ATOM 432 C ASN A 30 12.110 1.747 -6.659 1.00 0.00 C ATOM 433 O ASN A 30 12.959 1.640 -5.774 1.00 0.00 O ATOM 434 CB ASN A 30 10.518 3.112 -5.314 1.00 0.00 C ATOM 435 CG ASN A 30 9.037 3.410 -5.421 1.00 0.00 C ATOM 436 OD1 ASN A 30 8.618 4.115 -6.333 1.00 0.00 O ATOM 437 ND2 ASN A 30 8.247 2.893 -4.494 1.00 0.00 N ATOM 0 H ASN A 30 9.280 2.318 -7.369 1.00 0.00 H new ATOM 0 HA ASN A 30 11.738 3.838 -6.946 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.665 2.203 -4.731 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.013 3.920 -4.775 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.244 3.075 -4.519 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.641 2.312 -3.754 1.00 0.00 H new ATOM 444 N GLY A 31 11.934 0.831 -7.605 1.00 0.00 N ATOM 445 CA GLY A 31 12.757 -0.362 -7.638 1.00 0.00 C ATOM 446 C GLY A 31 12.292 -1.376 -6.609 1.00 0.00 C ATOM 447 O GLY A 31 12.907 -2.427 -6.428 1.00 0.00 O ATOM 0 H GLY A 31 11.238 0.894 -8.348 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.720 -0.806 -8.633 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.796 -0.096 -7.447 1.00 0.00 H new ATOM 451 N VAL A 32 11.198 -1.039 -5.933 1.00 0.00 N ATOM 452 CA VAL A 32 10.611 -1.879 -4.907 1.00 0.00 C ATOM 453 C VAL A 32 10.230 -3.252 -5.451 1.00 0.00 C ATOM 454 O VAL A 32 9.816 -3.374 -6.598 1.00 0.00 O ATOM 455 CB VAL A 32 9.368 -1.183 -4.340 1.00 0.00 C ATOM 456 CG1 VAL A 32 8.865 -1.831 -3.074 1.00 0.00 C ATOM 457 CG2 VAL A 32 9.649 0.280 -4.090 1.00 0.00 C ATOM 0 H VAL A 32 10.693 -0.166 -6.087 1.00 0.00 H new ATOM 0 HA VAL A 32 11.352 -2.029 -4.122 1.00 0.00 H new ATOM 0 HB VAL A 32 8.584 -1.284 -5.091 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.984 -1.297 -2.717 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.603 -2.870 -3.276 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.644 -1.795 -2.313 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.756 0.758 -3.688 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.466 0.377 -3.375 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.928 0.762 -5.027 1.00 0.00 H new ATOM 467 N PRO A 33 10.394 -4.283 -4.600 1.00 0.00 N ATOM 468 CA PRO A 33 10.119 -5.698 -4.874 1.00 0.00 C ATOM 469 C PRO A 33 9.049 -5.967 -5.933 1.00 0.00 C ATOM 470 O PRO A 33 8.028 -6.596 -5.659 1.00 0.00 O ATOM 471 CB PRO A 33 9.669 -6.212 -3.501 1.00 0.00 C ATOM 472 CG PRO A 33 10.169 -5.208 -2.496 1.00 0.00 C ATOM 473 CD PRO A 33 10.902 -4.143 -3.248 1.00 0.00 C ATOM 0 HA PRO A 33 10.994 -6.191 -5.297 1.00 0.00 H new ATOM 0 HB2 PRO A 33 8.584 -6.302 -3.455 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.080 -7.202 -3.301 1.00 0.00 H new ATOM 0 HG2 PRO A 33 9.337 -4.779 -1.937 1.00 0.00 H new ATOM 0 HG3 PRO A 33 10.827 -5.687 -1.771 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.700 -3.152 -2.842 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.981 -4.290 -3.206 1.00 0.00 H new ATOM 481 N GLY A 34 9.327 -5.504 -7.141 1.00 0.00 N ATOM 482 CA GLY A 34 8.440 -5.689 -8.282 1.00 0.00 C ATOM 483 C GLY A 34 7.011 -6.037 -7.917 1.00 0.00 C ATOM 484 O GLY A 34 6.425 -6.946 -8.503 1.00 0.00 O ATOM 0 H GLY A 34 10.178 -4.986 -7.360 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.438 -4.775 -8.876 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.843 -6.480 -8.915 1.00 0.00 H new ATOM 488 N ILE A 35 6.439 -5.312 -6.963 1.00 0.00 N ATOM 489 CA ILE A 35 5.063 -5.560 -6.549 1.00 0.00 C ATOM 490 C ILE A 35 4.852 -7.036 -6.203 1.00 0.00 C ATOM 491 O ILE A 35 5.684 -7.884 -6.526 1.00 0.00 O ATOM 492 CB ILE A 35 4.083 -5.154 -7.669 1.00 0.00 C ATOM 493 CG1 ILE A 35 4.005 -3.631 -7.787 1.00 0.00 C ATOM 494 CG2 ILE A 35 2.698 -5.738 -7.427 1.00 0.00 C ATOM 495 CD1 ILE A 35 3.454 -3.161 -9.115 1.00 0.00 C ATOM 0 H ILE A 35 6.903 -4.553 -6.464 1.00 0.00 H new ATOM 0 HA ILE A 35 4.870 -4.958 -5.661 1.00 0.00 H new ATOM 0 HB ILE A 35 4.461 -5.559 -8.608 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.379 -3.243 -6.984 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.001 -3.211 -7.646 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.029 -5.435 -8.233 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.762 -6.826 -7.398 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.310 -5.372 -6.476 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.426 -2.072 -9.132 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.093 -3.520 -9.922 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.446 -3.552 -9.250 1.00 0.00 H new ATOM 507 N VAL A 36 3.737 -7.337 -5.545 1.00 0.00 N ATOM 508 CA VAL A 36 3.426 -8.710 -5.164 1.00 0.00 C ATOM 509 C VAL A 36 2.194 -9.223 -5.907 1.00 0.00 C ATOM 510 O VAL A 36 2.032 -10.429 -6.096 1.00 0.00 O ATOM 511 CB VAL A 36 3.187 -8.834 -3.649 1.00 0.00 C ATOM 512 CG1 VAL A 36 3.636 -10.199 -3.150 1.00 0.00 C ATOM 513 CG2 VAL A 36 3.908 -7.724 -2.900 1.00 0.00 C ATOM 0 H VAL A 36 3.036 -6.651 -5.265 1.00 0.00 H new ATOM 0 HA VAL A 36 4.290 -9.316 -5.437 1.00 0.00 H new ATOM 0 HB VAL A 36 2.118 -8.734 -3.459 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.460 -10.270 -2.077 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.071 -10.978 -3.663 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.699 -10.329 -3.353 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.726 -7.829 -1.830 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.978 -7.790 -3.095 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.536 -6.756 -3.237 1.00 0.00 H new ATOM 523 N ALA A 37 1.331 -8.303 -6.328 1.00 0.00 N ATOM 524 CA ALA A 37 0.116 -8.666 -7.050 1.00 0.00 C ATOM 525 C ALA A 37 0.399 -8.875 -8.535 1.00 0.00 C ATOM 526 O ALA A 37 1.124 -8.097 -9.154 1.00 0.00 O ATOM 527 CB ALA A 37 -0.950 -7.598 -6.859 1.00 0.00 C ATOM 0 H ALA A 37 1.451 -7.301 -6.182 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.251 -9.608 -6.642 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.851 -7.882 -7.403 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.182 -7.501 -5.798 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.582 -6.645 -7.239 1.00 0.00 H new ATOM 533 N GLU A 38 -0.175 -9.935 -9.100 1.00 0.00 N ATOM 534 CA GLU A 38 0.021 -10.249 -10.511 1.00 0.00 C ATOM 535 C GLU A 38 -1.112 -9.692 -11.372 1.00 0.00 C ATOM 536 O GLU A 38 -1.049 -9.743 -12.600 1.00 0.00 O ATOM 537 CB GLU A 38 0.125 -11.763 -10.706 1.00 0.00 C ATOM 538 CG GLU A 38 -1.105 -12.522 -10.238 1.00 0.00 C ATOM 539 CD GLU A 38 -2.242 -12.463 -11.239 1.00 0.00 C ATOM 540 OE1 GLU A 38 -2.115 -13.077 -12.320 1.00 0.00 O ATOM 541 OE2 GLU A 38 -3.260 -11.802 -10.944 1.00 0.00 O ATOM 0 H GLU A 38 -0.779 -10.589 -8.602 1.00 0.00 H new ATOM 0 HA GLU A 38 0.951 -9.777 -10.829 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.292 -11.974 -11.762 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.997 -12.132 -10.165 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.838 -13.563 -10.058 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.442 -12.110 -9.287 1.00 0.00 H new ATOM 548 N CYS A 39 -2.150 -9.165 -10.727 1.00 0.00 N ATOM 549 CA CYS A 39 -3.289 -8.609 -11.451 1.00 0.00 C ATOM 550 C CYS A 39 -3.032 -7.156 -11.848 1.00 0.00 C ATOM 551 O CYS A 39 -3.953 -6.437 -12.235 1.00 0.00 O ATOM 552 CB CYS A 39 -4.572 -8.733 -10.611 1.00 0.00 C ATOM 553 SG CYS A 39 -5.125 -7.192 -9.801 1.00 0.00 S ATOM 0 H CYS A 39 -2.226 -9.112 -9.711 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.423 -9.183 -12.368 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.374 -9.094 -11.254 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.413 -9.491 -9.844 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.886 -7.262 -8.525 1.00 0.00 H new ATOM 558 N GLY A 40 -1.776 -6.734 -11.755 1.00 0.00 N ATOM 559 CA GLY A 40 -1.421 -5.372 -12.112 1.00 0.00 C ATOM 560 C GLY A 40 -2.431 -4.354 -11.619 1.00 0.00 C ATOM 561 O GLY A 40 -2.633 -3.317 -12.251 1.00 0.00 O ATOM 0 H GLY A 40 -0.996 -7.311 -11.439 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.441 -5.136 -11.697 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.334 -5.296 -13.196 1.00 0.00 H new ATOM 565 N GLY A 41 -3.064 -4.646 -10.489 1.00 0.00 N ATOM 566 CA GLY A 41 -4.049 -3.736 -9.932 1.00 0.00 C ATOM 567 C GLY A 41 -5.341 -3.714 -10.725 1.00 0.00 C ATOM 568 O GLY A 41 -6.137 -2.783 -10.602 1.00 0.00 O ATOM 0 H GLY A 41 -2.913 -5.497 -9.948 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -4.264 -4.025 -8.903 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.631 -2.730 -9.899 1.00 0.00 H new ATOM 572 N SER A 42 -5.551 -4.743 -11.541 1.00 0.00 N ATOM 573 CA SER A 42 -6.756 -4.838 -12.358 1.00 0.00 C ATOM 574 C SER A 42 -7.967 -5.225 -11.512 1.00 0.00 C ATOM 575 O SER A 42 -9.076 -5.364 -12.028 1.00 0.00 O ATOM 576 CB SER A 42 -6.557 -5.860 -13.479 1.00 0.00 C ATOM 577 OG SER A 42 -7.778 -6.132 -14.145 1.00 0.00 O ATOM 0 H SER A 42 -4.903 -5.522 -11.654 1.00 0.00 H new ATOM 0 HA SER A 42 -6.943 -3.857 -12.795 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.826 -5.482 -14.194 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.151 -6.783 -13.066 1.00 0.00 H new ATOM 0 HG SER A 42 -8.508 -5.658 -13.696 1.00 0.00 H new ATOM 583 N CYS A 43 -7.751 -5.396 -10.211 1.00 0.00 N ATOM 584 CA CYS A 43 -8.828 -5.764 -9.300 1.00 0.00 C ATOM 585 C CYS A 43 -9.283 -7.198 -9.546 1.00 0.00 C ATOM 586 O CYS A 43 -10.447 -7.444 -9.863 1.00 0.00 O ATOM 587 CB CYS A 43 -10.010 -4.807 -9.462 1.00 0.00 C ATOM 588 SG CYS A 43 -10.958 -4.541 -7.945 1.00 0.00 S ATOM 0 H CYS A 43 -6.840 -5.286 -9.765 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.448 -5.693 -8.281 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -9.639 -3.846 -9.819 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -10.677 -5.197 -10.231 1.00 0.00 H new ATOM 0 HG CYS A 43 -11.934 -3.716 -8.182 1.00 0.00 H new ATOM 594 N VAL A 44 -8.358 -8.142 -9.397 1.00 0.00 N ATOM 595 CA VAL A 44 -8.667 -9.551 -9.603 1.00 0.00 C ATOM 596 C VAL A 44 -7.787 -10.443 -8.734 1.00 0.00 C ATOM 597 O VAL A 44 -7.665 -11.642 -8.984 1.00 0.00 O ATOM 598 CB VAL A 44 -8.488 -9.957 -11.078 1.00 0.00 C ATOM 599 CG1 VAL A 44 -9.146 -11.301 -11.344 1.00 0.00 C ATOM 600 CG2 VAL A 44 -9.053 -8.887 -12.000 1.00 0.00 C ATOM 0 H VAL A 44 -7.390 -7.956 -9.135 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.710 -9.687 -9.319 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.422 -10.053 -11.282 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.010 -11.572 -12.391 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.690 -12.061 -10.710 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.211 -11.235 -11.122 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.917 -9.192 -13.038 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.116 -8.756 -11.797 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.531 -7.946 -11.827 1.00 0.00 H new ATOM 610 N CYS A 45 -7.175 -9.851 -7.713 1.00 0.00 N ATOM 611 CA CYS A 45 -6.310 -10.599 -6.807 1.00 0.00 C ATOM 612 C CYS A 45 -6.394 -10.050 -5.388 1.00 0.00 C ATOM 613 O CYS A 45 -7.123 -9.096 -5.118 1.00 0.00 O ATOM 614 CB CYS A 45 -4.858 -10.560 -7.297 1.00 0.00 C ATOM 615 SG CYS A 45 -3.902 -9.121 -6.710 1.00 0.00 S ATOM 0 H CYS A 45 -7.261 -8.859 -7.493 1.00 0.00 H new ATOM 0 HA CYS A 45 -6.654 -11.633 -6.796 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.354 -11.471 -6.975 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.855 -10.562 -8.387 1.00 0.00 H new ATOM 0 HG CYS A 45 -2.819 -9.531 -6.119 1.00 0.00 H new ATOM 620 N ALA A 46 -5.636 -10.662 -4.485 1.00 0.00 N ATOM 621 CA ALA A 46 -5.612 -10.240 -3.091 1.00 0.00 C ATOM 622 C ALA A 46 -4.194 -10.294 -2.535 1.00 0.00 C ATOM 623 O ALA A 46 -3.987 -10.256 -1.323 1.00 0.00 O ATOM 624 CB ALA A 46 -6.543 -11.110 -2.260 1.00 0.00 C ATOM 0 H ALA A 46 -5.029 -11.454 -4.695 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.959 -9.208 -3.038 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.515 -10.783 -1.220 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.560 -11.021 -2.641 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.222 -12.150 -2.322 1.00 0.00 H new ATOM 630 N THR A 47 -3.220 -10.383 -3.436 1.00 0.00 N ATOM 631 CA THR A 47 -1.816 -10.443 -3.044 1.00 0.00 C ATOM 632 C THR A 47 -1.275 -9.049 -2.748 1.00 0.00 C ATOM 633 O THR A 47 -0.197 -8.901 -2.173 1.00 0.00 O ATOM 634 CB THR A 47 -0.985 -11.101 -4.147 1.00 0.00 C ATOM 635 OG1 THR A 47 -1.707 -11.138 -5.365 1.00 0.00 O ATOM 636 CG2 THR A 47 -0.568 -12.519 -3.817 1.00 0.00 C ATOM 0 H THR A 47 -3.378 -10.415 -4.443 1.00 0.00 H new ATOM 0 HA THR A 47 -1.743 -11.042 -2.137 1.00 0.00 H new ATOM 0 HB THR A 47 -0.089 -10.487 -4.238 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.158 -11.561 -6.058 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.018 -12.927 -4.641 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.034 -12.519 -2.908 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.456 -13.133 -3.664 1.00 0.00 H new ATOM 644 N CYS A 48 -2.028 -8.028 -3.145 1.00 0.00 N ATOM 645 CA CYS A 48 -1.621 -6.647 -2.921 1.00 0.00 C ATOM 646 C CYS A 48 -1.922 -6.216 -1.491 1.00 0.00 C ATOM 647 O CYS A 48 -2.549 -5.181 -1.264 1.00 0.00 O ATOM 648 CB CYS A 48 -2.328 -5.712 -3.903 1.00 0.00 C ATOM 649 SG CYS A 48 -4.134 -5.939 -3.979 1.00 0.00 S ATOM 0 H CYS A 48 -2.923 -8.132 -3.623 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.545 -6.586 -3.084 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.114 -4.680 -3.624 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.911 -5.866 -4.898 1.00 0.00 H new ATOM 0 HG CYS A 48 -4.646 -5.071 -4.801 1.00 0.00 H new ATOM 654 N ARG A 49 -1.471 -7.012 -0.529 1.00 0.00 N ATOM 655 CA ARG A 49 -1.692 -6.704 0.878 1.00 0.00 C ATOM 656 C ARG A 49 -0.638 -5.728 1.387 1.00 0.00 C ATOM 657 O ARG A 49 0.097 -6.028 2.329 1.00 0.00 O ATOM 658 CB ARG A 49 -1.669 -7.983 1.716 1.00 0.00 C ATOM 659 CG ARG A 49 -2.925 -8.188 2.549 1.00 0.00 C ATOM 660 CD ARG A 49 -4.175 -8.172 1.684 1.00 0.00 C ATOM 661 NE ARG A 49 -4.998 -6.992 1.934 1.00 0.00 N ATOM 662 CZ ARG A 49 -5.833 -6.880 2.962 1.00 0.00 C ATOM 663 NH1 ARG A 49 -5.946 -7.870 3.837 1.00 0.00 N ATOM 664 NH2 ARG A 49 -6.552 -5.778 3.117 1.00 0.00 N ATOM 0 H ARG A 49 -0.951 -7.873 -0.697 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.673 -6.238 0.974 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.539 -8.839 1.054 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.804 -7.958 2.379 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.860 -9.138 3.079 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.994 -7.405 3.304 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.889 -8.198 0.633 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.761 -9.070 1.877 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.928 -6.210 1.283 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.392 -8.718 3.721 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.587 -7.783 4.626 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.465 -5.014 2.447 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.192 -5.694 3.906 1.00 0.00 H new ATOM 678 N ILE A 50 -0.573 -4.557 0.764 1.00 0.00 N ATOM 679 CA ILE A 50 0.387 -3.536 1.162 1.00 0.00 C ATOM 680 C ILE A 50 -0.095 -2.822 2.414 1.00 0.00 C ATOM 681 O ILE A 50 -1.298 -2.724 2.656 1.00 0.00 O ATOM 682 CB ILE A 50 0.615 -2.506 0.040 1.00 0.00 C ATOM 683 CG1 ILE A 50 1.263 -3.184 -1.173 1.00 0.00 C ATOM 684 CG2 ILE A 50 1.477 -1.357 0.542 1.00 0.00 C ATOM 685 CD1 ILE A 50 2.055 -2.239 -2.052 1.00 0.00 C ATOM 0 H ILE A 50 -1.173 -4.292 -0.017 1.00 0.00 H new ATOM 0 HA ILE A 50 1.334 -4.037 1.365 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.348 -2.098 -0.266 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.922 -3.979 -0.824 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.484 -3.656 -1.772 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.629 -0.638 -0.263 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.978 -0.866 1.378 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.442 -1.743 0.871 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.483 -2.792 -2.888 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.397 -1.458 -2.432 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.857 -1.786 -1.469 1.00 0.00 H new ATOM 697 N GLU A 51 0.840 -2.338 3.220 1.00 0.00 N ATOM 698 CA GLU A 51 0.479 -1.656 4.451 1.00 0.00 C ATOM 699 C GLU A 51 1.150 -0.293 4.564 1.00 0.00 C ATOM 700 O GLU A 51 2.376 -0.186 4.558 1.00 0.00 O ATOM 701 CB GLU A 51 0.855 -2.516 5.660 1.00 0.00 C ATOM 702 CG GLU A 51 -0.198 -3.550 6.022 1.00 0.00 C ATOM 703 CD GLU A 51 0.309 -4.572 7.021 1.00 0.00 C ATOM 704 OE1 GLU A 51 0.704 -4.166 8.135 1.00 0.00 O ATOM 705 OE2 GLU A 51 0.310 -5.776 6.691 1.00 0.00 O ATOM 0 H GLU A 51 1.843 -2.404 3.045 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.599 -1.498 4.432 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.797 -3.025 5.454 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.025 -1.866 6.519 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.071 -3.045 6.435 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.525 -4.063 5.117 1.00 0.00 H new ATOM 712 N ILE A 52 0.330 0.741 4.707 1.00 0.00 N ATOM 713 CA ILE A 52 0.826 2.098 4.869 1.00 0.00 C ATOM 714 C ILE A 52 1.493 2.199 6.227 1.00 0.00 C ATOM 715 O ILE A 52 1.064 1.526 7.164 1.00 0.00 O ATOM 716 CB ILE A 52 -0.335 3.109 4.799 1.00 0.00 C ATOM 717 CG1 ILE A 52 -1.052 2.991 3.461 1.00 0.00 C ATOM 718 CG2 ILE A 52 0.163 4.530 5.017 1.00 0.00 C ATOM 719 CD1 ILE A 52 -0.360 3.739 2.352 1.00 0.00 C ATOM 0 H ILE A 52 -0.687 0.662 4.714 1.00 0.00 H new ATOM 0 HA ILE A 52 1.533 2.326 4.071 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.040 2.877 5.597 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.129 1.938 3.188 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.069 3.368 3.566 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.677 5.222 4.962 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.632 4.605 5.998 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.892 4.782 4.247 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.920 3.616 1.425 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.307 4.798 2.605 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.648 3.346 2.222 1.00 0.00 H new ATOM 731 N GLU A 53 2.528 3.021 6.376 1.00 0.00 N ATOM 732 CA GLU A 53 3.150 3.101 7.702 1.00 0.00 C ATOM 733 C GLU A 53 2.060 3.418 8.735 1.00 0.00 C ATOM 734 O GLU A 53 0.888 3.518 8.378 1.00 0.00 O ATOM 735 CB GLU A 53 4.260 4.145 7.743 1.00 0.00 C ATOM 736 CG GLU A 53 3.721 5.533 7.700 1.00 0.00 C ATOM 737 CD GLU A 53 2.578 5.648 6.711 1.00 0.00 C ATOM 738 OE1 GLU A 53 1.452 5.257 7.066 1.00 0.00 O ATOM 739 OE2 GLU A 53 2.802 6.163 5.598 1.00 0.00 O ATOM 0 H GLU A 53 2.936 3.608 5.649 1.00 0.00 H new ATOM 0 HA GLU A 53 3.615 2.143 7.936 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.849 4.013 8.650 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.934 3.991 6.900 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.377 5.823 8.693 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.516 6.226 7.423 1.00 0.00 H new ATOM 746 N ASP A 54 2.415 3.551 10.007 1.00 0.00 N ATOM 747 CA ASP A 54 1.408 3.839 11.032 1.00 0.00 C ATOM 748 C ASP A 54 1.268 5.335 11.296 1.00 0.00 C ATOM 749 O ASP A 54 0.804 5.750 12.358 1.00 0.00 O ATOM 750 CB ASP A 54 1.729 3.098 12.330 1.00 0.00 C ATOM 751 CG ASP A 54 1.767 1.594 12.140 1.00 0.00 C ATOM 752 OD1 ASP A 54 1.437 1.127 11.030 1.00 0.00 O ATOM 753 OD2 ASP A 54 2.128 0.883 13.102 1.00 0.00 O ATOM 0 H ASP A 54 3.371 3.467 10.353 1.00 0.00 H new ATOM 0 HA ASP A 54 0.452 3.483 10.649 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.692 3.438 12.711 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.982 3.348 13.083 1.00 0.00 H new ATOM 758 N ALA A 55 1.662 6.128 10.322 1.00 0.00 N ATOM 759 CA ALA A 55 1.580 7.576 10.420 1.00 0.00 C ATOM 760 C ALA A 55 0.597 8.125 9.412 1.00 0.00 C ATOM 761 O ALA A 55 0.024 9.200 9.593 1.00 0.00 O ATOM 762 CB ALA A 55 2.946 8.196 10.170 1.00 0.00 C ATOM 0 H ALA A 55 2.048 5.791 9.440 1.00 0.00 H new ATOM 0 HA ALA A 55 1.240 7.828 11.425 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.873 9.281 10.246 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.654 7.827 10.912 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.292 7.925 9.173 1.00 0.00 H new ATOM 768 N TRP A 56 0.480 7.409 8.308 1.00 0.00 N ATOM 769 CA TRP A 56 -0.348 7.842 7.204 1.00 0.00 C ATOM 770 C TRP A 56 -1.614 7.056 7.016 1.00 0.00 C ATOM 771 O TRP A 56 -2.409 7.386 6.149 1.00 0.00 O ATOM 772 CB TRP A 56 0.477 7.754 5.956 1.00 0.00 C ATOM 773 CG TRP A 56 1.701 8.561 6.099 1.00 0.00 C ATOM 774 CD1 TRP A 56 2.723 8.333 6.967 1.00 0.00 C ATOM 775 CD2 TRP A 56 2.014 9.750 5.404 1.00 0.00 C ATOM 776 NE1 TRP A 56 3.676 9.286 6.838 1.00 0.00 N ATOM 777 CE2 TRP A 56 3.269 10.178 5.882 1.00 0.00 C ATOM 778 CE3 TRP A 56 1.364 10.494 4.408 1.00 0.00 C ATOM 779 CZ2 TRP A 56 3.887 11.315 5.404 1.00 0.00 C ATOM 780 CZ3 TRP A 56 1.990 11.629 3.931 1.00 0.00 C ATOM 781 CH2 TRP A 56 3.238 12.028 4.428 1.00 0.00 C ATOM 0 H TRP A 56 0.953 6.519 8.155 1.00 0.00 H new ATOM 0 HA TRP A 56 -0.671 8.859 7.428 1.00 0.00 H new ATOM 0 HB2 TRP A 56 0.739 6.715 5.757 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -0.102 8.106 5.102 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.768 7.507 7.662 1.00 0.00 H new ATOM 0 HE1 TRP A 56 4.549 9.332 7.364 1.00 0.00 H new ATOM 0 HE3 TRP A 56 0.402 10.188 4.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 4.847 11.632 5.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 1.510 12.218 3.163 1.00 0.00 H new ATOM 0 HH2 TRP A 56 3.701 12.920 4.032 1.00 0.00 H new ATOM 792 N VAL A 57 -1.839 6.044 7.804 1.00 0.00 N ATOM 793 CA VAL A 57 -3.056 5.298 7.649 1.00 0.00 C ATOM 794 C VAL A 57 -4.233 6.223 7.819 1.00 0.00 C ATOM 795 O VAL A 57 -5.219 6.153 7.086 1.00 0.00 O ATOM 796 CB VAL A 57 -3.149 4.180 8.659 1.00 0.00 C ATOM 797 CG1 VAL A 57 -4.379 3.356 8.379 1.00 0.00 C ATOM 798 CG2 VAL A 57 -1.883 3.374 8.586 1.00 0.00 C ATOM 0 H VAL A 57 -1.214 5.722 8.543 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.061 4.858 6.652 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.248 4.565 9.674 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.449 2.548 9.107 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.264 3.988 8.452 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.315 2.936 7.375 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.928 2.559 9.309 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.770 2.963 7.583 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.031 4.014 8.814 1.00 0.00 H new ATOM 808 N GLU A 58 -4.095 7.122 8.779 1.00 0.00 N ATOM 809 CA GLU A 58 -5.125 8.107 9.032 1.00 0.00 C ATOM 810 C GLU A 58 -5.025 9.210 7.989 1.00 0.00 C ATOM 811 O GLU A 58 -5.859 10.113 7.931 1.00 0.00 O ATOM 812 CB GLU A 58 -4.993 8.686 10.442 1.00 0.00 C ATOM 813 CG GLU A 58 -4.540 7.669 11.477 1.00 0.00 C ATOM 814 CD GLU A 58 -5.679 7.180 12.351 1.00 0.00 C ATOM 815 OE1 GLU A 58 -6.257 8.004 13.090 1.00 0.00 O ATOM 816 OE2 GLU A 58 -5.991 5.971 12.297 1.00 0.00 O ATOM 0 H GLU A 58 -3.282 7.188 9.392 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.102 7.629 8.963 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.282 9.512 10.421 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.954 9.100 10.747 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.085 6.818 10.970 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.770 8.115 12.106 1.00 0.00 H new ATOM 823 N ILE A 59 -3.998 9.103 7.148 1.00 0.00 N ATOM 824 CA ILE A 59 -3.776 10.064 6.076 1.00 0.00 C ATOM 825 C ILE A 59 -4.238 9.471 4.760 1.00 0.00 C ATOM 826 O ILE A 59 -4.804 10.155 3.907 1.00 0.00 O ATOM 827 CB ILE A 59 -2.283 10.434 5.938 1.00 0.00 C ATOM 828 CG1 ILE A 59 -1.903 11.472 6.977 1.00 0.00 C ATOM 829 CG2 ILE A 59 -1.966 10.959 4.541 1.00 0.00 C ATOM 830 CD1 ILE A 59 -0.490 11.329 7.472 1.00 0.00 C ATOM 0 H ILE A 59 -3.305 8.356 7.191 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.341 10.963 6.322 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.699 9.528 6.100 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.032 12.467 6.551 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.586 11.396 7.823 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.907 11.210 4.478 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.202 10.193 3.802 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.562 11.850 4.343 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.284 12.102 8.212 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.362 10.347 7.927 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.201 11.434 6.636 1.00 0.00 H new ATOM 842 N VAL A 60 -3.956 8.189 4.604 1.00 0.00 N ATOM 843 CA VAL A 60 -4.295 7.471 3.399 1.00 0.00 C ATOM 844 C VAL A 60 -5.659 6.796 3.523 1.00 0.00 C ATOM 845 O VAL A 60 -6.651 7.313 3.011 1.00 0.00 O ATOM 846 CB VAL A 60 -3.201 6.440 3.059 1.00 0.00 C ATOM 847 CG1 VAL A 60 -3.411 5.879 1.663 1.00 0.00 C ATOM 848 CG2 VAL A 60 -1.810 7.070 3.194 1.00 0.00 C ATOM 0 H VAL A 60 -3.487 7.622 5.310 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.355 8.191 2.583 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.270 5.615 3.768 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.629 5.153 1.441 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.384 5.391 1.609 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.371 6.689 0.935 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.049 6.328 2.950 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.725 7.915 2.510 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.665 7.416 4.218 1.00 0.00 H new ATOM 858 N GLY A 61 -5.695 5.650 4.217 1.00 0.00 N ATOM 859 CA GLY A 61 -6.942 4.913 4.417 1.00 0.00 C ATOM 860 C GLY A 61 -8.024 5.286 3.420 1.00 0.00 C ATOM 861 O GLY A 61 -9.134 5.654 3.805 1.00 0.00 O ATOM 0 H GLY A 61 -4.877 5.218 4.646 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.741 3.844 4.342 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.308 5.098 5.427 1.00 0.00 H new ATOM 865 N GLU A 62 -7.690 5.217 2.136 1.00 0.00 N ATOM 866 CA GLU A 62 -8.629 5.575 1.078 1.00 0.00 C ATOM 867 C GLU A 62 -9.668 4.487 0.842 1.00 0.00 C ATOM 868 O GLU A 62 -10.734 4.748 0.283 1.00 0.00 O ATOM 869 CB GLU A 62 -7.870 5.852 -0.218 1.00 0.00 C ATOM 870 CG GLU A 62 -6.922 7.036 -0.126 1.00 0.00 C ATOM 871 CD GLU A 62 -7.643 8.338 0.166 1.00 0.00 C ATOM 872 OE1 GLU A 62 -8.098 8.521 1.314 1.00 0.00 O ATOM 873 OE2 GLU A 62 -7.753 9.175 -0.756 1.00 0.00 O ATOM 0 H GLU A 62 -6.775 4.916 1.802 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.157 6.473 1.399 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.302 4.963 -0.494 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.588 6.033 -1.018 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.187 6.848 0.657 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.373 7.131 -1.063 1.00 0.00 H new ATOM 880 N ALA A 63 -9.355 3.272 1.256 1.00 0.00 N ATOM 881 CA ALA A 63 -10.273 2.153 1.068 1.00 0.00 C ATOM 882 C ALA A 63 -11.635 2.434 1.672 1.00 0.00 C ATOM 883 O ALA A 63 -11.756 3.092 2.705 1.00 0.00 O ATOM 884 CB ALA A 63 -9.731 0.868 1.673 1.00 0.00 C ATOM 0 H ALA A 63 -8.480 3.032 1.722 1.00 0.00 H new ATOM 0 HA ALA A 63 -10.375 2.029 -0.010 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.445 0.060 1.511 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.783 0.615 1.199 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.577 1.007 2.743 1.00 0.00 H new ATOM 890 N ASN A 64 -12.650 1.880 1.036 1.00 0.00 N ATOM 891 CA ASN A 64 -14.003 1.994 1.494 1.00 0.00 C ATOM 892 C ASN A 64 -14.290 0.819 2.409 1.00 0.00 C ATOM 893 O ASN A 64 -13.427 -0.028 2.643 1.00 0.00 O ATOM 894 CB ASN A 64 -14.973 1.995 0.299 1.00 0.00 C ATOM 895 CG ASN A 64 -14.358 1.450 -0.975 1.00 0.00 C ATOM 896 OD1 ASN A 64 -14.107 0.251 -1.094 1.00 0.00 O ATOM 897 ND2 ASN A 64 -14.113 2.331 -1.938 1.00 0.00 N ATOM 0 H ASN A 64 -12.547 1.335 0.180 1.00 0.00 H new ATOM 0 HA ASN A 64 -14.140 2.931 2.035 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -15.851 1.401 0.553 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -15.317 3.014 0.121 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -13.701 2.023 -2.819 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -14.337 3.316 -1.797 1.00 0.00 H new ATOM 904 N PRO A 65 -15.506 0.746 2.922 1.00 0.00 N ATOM 905 CA PRO A 65 -15.939 -0.334 3.804 1.00 0.00 C ATOM 906 C PRO A 65 -16.040 -1.669 3.061 1.00 0.00 C ATOM 907 O PRO A 65 -16.488 -2.669 3.623 1.00 0.00 O ATOM 908 CB PRO A 65 -17.326 0.127 4.286 1.00 0.00 C ATOM 909 CG PRO A 65 -17.428 1.566 3.887 1.00 0.00 C ATOM 910 CD PRO A 65 -16.561 1.714 2.672 1.00 0.00 C ATOM 0 HA PRO A 65 -15.236 -0.510 4.618 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -18.118 -0.465 3.827 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -17.426 0.011 5.365 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -18.460 1.839 3.667 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -17.090 2.220 4.691 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -17.106 1.493 1.754 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -16.169 2.726 2.574 1.00 0.00 H new ATOM 918 N ASP A 66 -15.612 -1.680 1.795 1.00 0.00 N ATOM 919 CA ASP A 66 -15.646 -2.886 0.983 1.00 0.00 C ATOM 920 C ASP A 66 -14.331 -3.643 1.101 1.00 0.00 C ATOM 921 O ASP A 66 -14.313 -4.842 1.375 1.00 0.00 O ATOM 922 CB ASP A 66 -15.921 -2.536 -0.481 1.00 0.00 C ATOM 923 CG ASP A 66 -17.403 -2.429 -0.781 1.00 0.00 C ATOM 924 OD1 ASP A 66 -18.207 -2.469 0.174 1.00 0.00 O ATOM 925 OD2 ASP A 66 -17.761 -2.306 -1.972 1.00 0.00 O ATOM 0 H ASP A 66 -15.238 -0.861 1.315 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.451 -3.524 1.348 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.435 -1.591 -0.723 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.477 -3.297 -1.123 1.00 0.00 H new ATOM 930 N GLU A 67 -13.229 -2.927 0.896 1.00 0.00 N ATOM 931 CA GLU A 67 -11.904 -3.530 0.986 1.00 0.00 C ATOM 932 C GLU A 67 -11.754 -4.281 2.304 1.00 0.00 C ATOM 933 O GLU A 67 -11.105 -5.325 2.368 1.00 0.00 O ATOM 934 CB GLU A 67 -10.818 -2.460 0.866 1.00 0.00 C ATOM 935 CG GLU A 67 -9.441 -2.945 1.290 1.00 0.00 C ATOM 936 CD GLU A 67 -9.157 -4.361 0.829 1.00 0.00 C ATOM 937 OE1 GLU A 67 -9.544 -4.704 -0.308 1.00 0.00 O ATOM 938 OE2 GLU A 67 -8.548 -5.128 1.605 1.00 0.00 O ATOM 0 H GLU A 67 -13.227 -1.933 0.667 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.790 -4.235 0.163 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.771 -2.115 -0.167 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.096 -1.601 1.477 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.683 -2.275 0.884 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.361 -2.897 2.376 1.00 0.00 H new ATOM 945 N ASN A 68 -12.368 -3.741 3.351 1.00 0.00 N ATOM 946 CA ASN A 68 -12.316 -4.359 4.670 1.00 0.00 C ATOM 947 C ASN A 68 -13.373 -5.450 4.789 1.00 0.00 C ATOM 948 O ASN A 68 -13.211 -6.408 5.546 1.00 0.00 O ATOM 949 CB ASN A 68 -12.530 -3.304 5.758 1.00 0.00 C ATOM 950 CG ASN A 68 -12.621 -3.911 7.145 1.00 0.00 C ATOM 951 OD1 ASN A 68 -12.005 -5.073 7.327 1.00 0.00 O flip ATOM 952 ND2 ASN A 68 -13.240 -3.342 8.044 1.00 0.00 N flip ATOM 0 H ASN A 68 -12.908 -2.876 3.311 1.00 0.00 H new ATOM 0 HA ASN A 68 -11.332 -4.809 4.801 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.709 -2.588 5.732 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -13.444 -2.749 5.547 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.699 -2.450 7.861 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.294 -3.763 8.972 1.00 0.00 H new ATOM 959 N ASP A 69 -14.456 -5.298 4.032 1.00 0.00 N ATOM 960 CA ASP A 69 -15.544 -6.266 4.046 1.00 0.00 C ATOM 961 C ASP A 69 -15.215 -7.470 3.168 1.00 0.00 C ATOM 962 O ASP A 69 -15.359 -8.617 3.591 1.00 0.00 O ATOM 963 CB ASP A 69 -16.842 -5.611 3.567 1.00 0.00 C ATOM 964 CG ASP A 69 -18.055 -6.489 3.804 1.00 0.00 C ATOM 965 OD1 ASP A 69 -18.575 -6.488 4.939 1.00 0.00 O ATOM 966 OD2 ASP A 69 -18.484 -7.179 2.855 1.00 0.00 O ATOM 0 H ASP A 69 -14.602 -4.511 3.400 1.00 0.00 H new ATOM 0 HA ASP A 69 -15.675 -6.613 5.071 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -16.978 -4.661 4.084 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -16.762 -5.387 2.503 1.00 0.00 H new ATOM 971 N LEU A 70 -14.773 -7.202 1.942 1.00 0.00 N ATOM 972 CA LEU A 70 -14.426 -8.268 1.009 1.00 0.00 C ATOM 973 C LEU A 70 -13.478 -9.271 1.657 1.00 0.00 C ATOM 974 O LEU A 70 -13.574 -10.474 1.420 1.00 0.00 O ATOM 975 CB LEU A 70 -13.786 -7.687 -0.253 1.00 0.00 C ATOM 976 CG LEU A 70 -13.952 -8.539 -1.512 1.00 0.00 C ATOM 977 CD1 LEU A 70 -14.469 -7.693 -2.665 1.00 0.00 C ATOM 978 CD2 LEU A 70 -12.635 -9.203 -1.883 1.00 0.00 C ATOM 0 H LEU A 70 -14.647 -6.259 1.573 1.00 0.00 H new ATOM 0 HA LEU A 70 -15.345 -8.787 0.735 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -14.215 -6.702 -0.440 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.722 -7.541 -0.069 1.00 0.00 H new ATOM 0 HG LEU A 70 -14.684 -9.320 -1.306 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -14.581 -8.316 -3.552 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -15.435 -7.265 -2.398 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.762 -6.890 -2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.772 -9.805 -2.781 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.882 -8.438 -2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.306 -9.843 -1.064 1.00 0.00 H new ATOM 990 N LEU A 71 -12.562 -8.767 2.477 1.00 0.00 N ATOM 991 CA LEU A 71 -11.598 -9.620 3.161 1.00 0.00 C ATOM 992 C LEU A 71 -12.226 -10.271 4.388 1.00 0.00 C ATOM 993 O LEU A 71 -12.014 -11.455 4.653 1.00 0.00 O ATOM 994 CB LEU A 71 -10.368 -8.808 3.571 1.00 0.00 C ATOM 995 CG LEU A 71 -9.238 -8.783 2.543 1.00 0.00 C ATOM 996 CD1 LEU A 71 -8.751 -10.195 2.254 1.00 0.00 C ATOM 997 CD2 LEU A 71 -9.700 -8.104 1.263 1.00 0.00 C ATOM 0 H LEU A 71 -12.467 -7.773 2.684 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.291 -10.407 2.472 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.679 -7.783 3.772 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.980 -9.212 4.506 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.407 -8.211 2.955 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.946 -10.159 1.520 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.383 -10.648 3.174 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.575 -10.791 1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.883 -8.094 0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.546 -8.650 0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -10.002 -7.080 1.483 1.00 0.00 H new ATOM 1009 N GLN A 72 -12.999 -9.490 5.133 1.00 0.00 N ATOM 1010 CA GLN A 72 -13.660 -9.988 6.334 1.00 0.00 C ATOM 1011 C GLN A 72 -14.749 -10.996 5.977 1.00 0.00 C ATOM 1012 O GLN A 72 -15.112 -11.846 6.790 1.00 0.00 O ATOM 1013 CB GLN A 72 -14.260 -8.827 7.128 1.00 0.00 C ATOM 1014 CG GLN A 72 -13.225 -8.003 7.877 1.00 0.00 C ATOM 1015 CD GLN A 72 -13.167 -8.344 9.354 1.00 0.00 C ATOM 1016 OE1 GLN A 72 -12.177 -8.891 9.839 1.00 0.00 O ATOM 1017 NE2 GLN A 72 -14.234 -8.023 10.076 1.00 0.00 N ATOM 0 H GLN A 72 -13.184 -8.508 4.927 1.00 0.00 H new ATOM 0 HA GLN A 72 -12.914 -10.491 6.949 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -14.807 -8.176 6.446 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -14.984 -9.221 7.841 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -12.244 -8.166 7.431 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -13.456 -6.944 7.761 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -15.033 -7.570 9.632 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -14.255 -8.229 11.075 1.00 0.00 H new ATOM 1026 N SER A 73 -15.265 -10.896 4.755 1.00 0.00 N ATOM 1027 CA SER A 73 -16.310 -11.800 4.290 1.00 0.00 C ATOM 1028 C SER A 73 -15.721 -13.145 3.877 1.00 0.00 C ATOM 1029 O SER A 73 -16.431 -14.147 3.796 1.00 0.00 O ATOM 1030 CB SER A 73 -17.066 -11.179 3.113 1.00 0.00 C ATOM 1031 OG SER A 73 -16.271 -11.181 1.939 1.00 0.00 O ATOM 0 H SER A 73 -14.976 -10.198 4.070 1.00 0.00 H new ATOM 0 HA SER A 73 -17.005 -11.964 5.113 1.00 0.00 H new ATOM 0 HB2 SER A 73 -17.986 -11.735 2.934 1.00 0.00 H new ATOM 0 HB3 SER A 73 -17.354 -10.157 3.360 1.00 0.00 H new ATOM 0 HG SER A 73 -15.340 -10.987 2.174 1.00 0.00 H new ATOM 1037 N THR A 74 -14.418 -13.159 3.618 1.00 0.00 N ATOM 1038 CA THR A 74 -13.731 -14.380 3.213 1.00 0.00 C ATOM 1039 C THR A 74 -13.257 -15.166 4.432 1.00 0.00 C ATOM 1040 O THR A 74 -13.273 -16.397 4.434 1.00 0.00 O ATOM 1041 CB THR A 74 -12.540 -14.045 2.314 1.00 0.00 C ATOM 1042 OG1 THR A 74 -11.496 -13.451 3.065 1.00 0.00 O ATOM 1043 CG2 THR A 74 -12.892 -13.099 1.187 1.00 0.00 C ATOM 0 H THR A 74 -13.816 -12.338 3.681 1.00 0.00 H new ATOM 0 HA THR A 74 -14.436 -14.997 2.656 1.00 0.00 H new ATOM 0 HB THR A 74 -12.224 -14.996 1.884 1.00 0.00 H new ATOM 0 HG1 THR A 74 -11.866 -12.750 3.642 1.00 0.00 H new ATOM 0 HG21 THR A 74 -12.004 -12.902 0.587 1.00 0.00 H new ATOM 0 HG22 THR A 74 -13.661 -13.550 0.560 1.00 0.00 H new ATOM 0 HG23 THR A 74 -13.265 -12.162 1.601 1.00 0.00 H new ATOM 1051 N GLY A 75 -12.838 -14.446 5.468 1.00 0.00 N ATOM 1052 CA GLY A 75 -12.367 -15.094 6.678 1.00 0.00 C ATOM 1053 C GLY A 75 -10.899 -14.827 6.948 1.00 0.00 C ATOM 1054 O GLY A 75 -10.319 -15.390 7.876 1.00 0.00 O ATOM 0 H GLY A 75 -12.816 -13.426 5.491 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.958 -14.746 7.526 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.528 -16.169 6.597 1.00 0.00 H new ATOM 1058 N GLU A 76 -10.297 -13.964 6.134 1.00 0.00 N ATOM 1059 CA GLU A 76 -8.887 -13.623 6.289 1.00 0.00 C ATOM 1060 C GLU A 76 -8.728 -12.283 7.002 1.00 0.00 C ATOM 1061 O GLU A 76 -9.237 -11.261 6.544 1.00 0.00 O ATOM 1062 CB GLU A 76 -8.201 -13.573 4.923 1.00 0.00 C ATOM 1063 CG GLU A 76 -7.460 -14.850 4.565 1.00 0.00 C ATOM 1064 CD GLU A 76 -6.375 -14.625 3.530 1.00 0.00 C ATOM 1065 OE1 GLU A 76 -6.708 -14.207 2.402 1.00 0.00 O ATOM 1066 OE2 GLU A 76 -5.192 -14.870 3.848 1.00 0.00 O ATOM 0 H GLU A 76 -10.763 -13.489 5.361 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.415 -14.395 6.896 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.950 -13.371 4.157 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.499 -12.740 4.909 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.015 -15.272 5.466 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.171 -15.584 4.187 1.00 0.00 H new ATOM 1073 N PRO A 77 -8.014 -12.274 8.139 1.00 0.00 N ATOM 1074 CA PRO A 77 -7.786 -11.055 8.921 1.00 0.00 C ATOM 1075 C PRO A 77 -6.793 -10.113 8.249 1.00 0.00 C ATOM 1076 O PRO A 77 -6.256 -10.417 7.183 1.00 0.00 O ATOM 1077 CB PRO A 77 -7.214 -11.584 10.236 1.00 0.00 C ATOM 1078 CG PRO A 77 -6.559 -12.872 9.872 1.00 0.00 C ATOM 1079 CD PRO A 77 -7.376 -13.455 8.750 1.00 0.00 C ATOM 0 HA PRO A 77 -8.697 -10.469 9.040 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.498 -10.884 10.667 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -7.999 -11.734 10.977 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.528 -12.710 9.559 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -6.530 -13.549 10.726 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.751 -13.989 8.034 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.116 -14.165 9.119 1.00 0.00 H new ATOM 1087 N MET A 78 -6.556 -8.967 8.879 1.00 0.00 N ATOM 1088 CA MET A 78 -5.627 -7.978 8.343 1.00 0.00 C ATOM 1089 C MET A 78 -4.751 -7.402 9.450 1.00 0.00 C ATOM 1090 O MET A 78 -4.583 -8.014 10.504 1.00 0.00 O ATOM 1091 CB MET A 78 -6.393 -6.850 7.648 1.00 0.00 C ATOM 1092 CG MET A 78 -7.736 -7.285 7.082 1.00 0.00 C ATOM 1093 SD MET A 78 -8.753 -5.890 6.560 1.00 0.00 S ATOM 1094 CE MET A 78 -9.393 -5.328 8.136 1.00 0.00 C ATOM 0 H MET A 78 -6.994 -8.700 9.761 1.00 0.00 H new ATOM 0 HA MET A 78 -4.986 -8.476 7.615 1.00 0.00 H new ATOM 0 HB2 MET A 78 -6.553 -6.039 8.359 1.00 0.00 H new ATOM 0 HB3 MET A 78 -5.780 -6.450 6.840 1.00 0.00 H new ATOM 0 HG2 MET A 78 -7.571 -7.947 6.232 1.00 0.00 H new ATOM 0 HG3 MET A 78 -8.274 -7.861 7.835 1.00 0.00 H new ATOM 0 HE1 MET A 78 -9.863 -4.353 8.011 1.00 0.00 H new ATOM 0 HE2 MET A 78 -10.130 -6.041 8.505 1.00 0.00 H new ATOM 0 HE3 MET A 78 -8.576 -5.248 8.853 1.00 0.00 H new ATOM 1104 N THR A 79 -4.196 -6.221 9.201 1.00 0.00 N ATOM 1105 CA THR A 79 -3.338 -5.558 10.175 1.00 0.00 C ATOM 1106 C THR A 79 -3.698 -4.081 10.292 1.00 0.00 C ATOM 1107 O THR A 79 -4.667 -3.620 9.690 1.00 0.00 O ATOM 1108 CB THR A 79 -1.869 -5.707 9.776 1.00 0.00 C ATOM 1109 OG1 THR A 79 -1.695 -5.439 8.396 1.00 0.00 O ATOM 1110 CG2 THR A 79 -1.313 -7.089 10.048 1.00 0.00 C ATOM 0 H THR A 79 -4.325 -5.703 8.332 1.00 0.00 H new ATOM 0 HA THR A 79 -3.492 -6.032 11.145 1.00 0.00 H new ATOM 0 HB THR A 79 -1.328 -4.987 10.390 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.447 -4.903 8.070 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.267 -7.127 9.742 1.00 0.00 H new ATOM 0 HG22 THR A 79 -1.388 -7.308 11.113 1.00 0.00 H new ATOM 0 HG23 THR A 79 -1.883 -7.828 9.485 1.00 0.00 H new ATOM 1118 N ALA A 80 -2.913 -3.344 11.070 1.00 0.00 N ATOM 1119 CA ALA A 80 -3.156 -1.919 11.259 1.00 0.00 C ATOM 1120 C ALA A 80 -2.512 -1.100 10.150 1.00 0.00 C ATOM 1121 O ALA A 80 -1.287 -1.056 10.027 1.00 0.00 O ATOM 1122 CB ALA A 80 -2.639 -1.462 12.612 1.00 0.00 C ATOM 0 H ALA A 80 -2.107 -3.708 11.578 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.234 -1.759 11.222 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.830 -0.396 12.733 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.149 -2.014 13.402 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.567 -1.648 12.673 1.00 0.00 H new ATOM 1128 N GLY A 81 -3.343 -0.450 9.349 1.00 0.00 N ATOM 1129 CA GLY A 81 -2.838 0.365 8.264 1.00 0.00 C ATOM 1130 C GLY A 81 -2.842 -0.362 6.934 1.00 0.00 C ATOM 1131 O GLY A 81 -2.285 0.124 5.950 1.00 0.00 O ATOM 0 H GLY A 81 -4.359 -0.473 9.431 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.443 1.268 8.181 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.822 0.683 8.497 1.00 0.00 H new ATOM 1135 N THR A 82 -3.472 -1.530 6.907 1.00 0.00 N ATOM 1136 CA THR A 82 -3.552 -2.333 5.691 1.00 0.00 C ATOM 1137 C THR A 82 -4.483 -1.684 4.672 1.00 0.00 C ATOM 1138 O THR A 82 -5.522 -1.132 5.032 1.00 0.00 O ATOM 1139 CB THR A 82 -4.046 -3.744 6.021 1.00 0.00 C ATOM 1140 OG1 THR A 82 -3.921 -4.007 7.407 1.00 0.00 O ATOM 1141 CG2 THR A 82 -3.301 -4.831 5.277 1.00 0.00 C ATOM 0 H THR A 82 -3.936 -1.944 7.715 1.00 0.00 H new ATOM 0 HA THR A 82 -2.553 -2.394 5.258 1.00 0.00 H new ATOM 0 HB THR A 82 -5.090 -3.764 5.707 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.698 -3.643 7.880 1.00 0.00 H new ATOM 0 HG21 THR A 82 -3.702 -5.805 5.558 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.421 -4.685 4.204 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.242 -4.787 5.533 1.00 0.00 H new ATOM 1149 N ARG A 83 -4.105 -1.755 3.398 1.00 0.00 N ATOM 1150 CA ARG A 83 -4.913 -1.173 2.332 1.00 0.00 C ATOM 1151 C ARG A 83 -4.390 -1.590 0.962 1.00 0.00 C ATOM 1152 O ARG A 83 -3.184 -1.576 0.717 1.00 0.00 O ATOM 1153 CB ARG A 83 -4.926 0.353 2.443 1.00 0.00 C ATOM 1154 CG ARG A 83 -6.261 0.981 2.073 1.00 0.00 C ATOM 1155 CD ARG A 83 -6.745 0.500 0.713 1.00 0.00 C ATOM 1156 NE ARG A 83 -7.501 1.531 0.006 1.00 0.00 N ATOM 1157 CZ ARG A 83 -8.298 1.280 -1.029 1.00 0.00 C ATOM 1158 NH1 ARG A 83 -8.454 0.037 -1.461 1.00 0.00 N ATOM 1159 NH2 ARG A 83 -8.943 2.271 -1.628 1.00 0.00 N ATOM 0 H ARG A 83 -3.248 -2.208 3.081 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.932 -1.545 2.441 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.672 0.636 3.464 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.150 0.762 1.796 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.003 0.735 2.832 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.163 2.067 2.063 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.889 0.199 0.109 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.370 -0.384 0.842 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.413 2.496 0.323 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.963 -0.729 -1.000 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.065 -0.154 -2.255 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.829 3.228 -1.295 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.554 2.076 -2.421 1.00 0.00 H new ATOM 1173 N LEU A 84 -5.305 -1.958 0.072 1.00 0.00 N ATOM 1174 CA LEU A 84 -4.935 -2.374 -1.275 1.00 0.00 C ATOM 1175 C LEU A 84 -4.048 -1.326 -1.938 1.00 0.00 C ATOM 1176 O LEU A 84 -4.426 -0.158 -2.046 1.00 0.00 O ATOM 1177 CB LEU A 84 -6.188 -2.614 -2.116 1.00 0.00 C ATOM 1178 CG LEU A 84 -7.192 -3.593 -1.509 1.00 0.00 C ATOM 1179 CD1 LEU A 84 -8.204 -4.038 -2.553 1.00 0.00 C ATOM 1180 CD2 LEU A 84 -6.471 -4.794 -0.915 1.00 0.00 C ATOM 0 H LEU A 84 -6.308 -1.977 0.259 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.373 -3.305 -1.205 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.687 -1.659 -2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.885 -2.987 -3.095 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.729 -3.084 -0.709 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.910 -4.735 -2.101 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.743 -3.169 -2.931 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.685 -4.530 -3.376 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.201 -5.481 -0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.908 -5.303 -1.697 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.787 -4.459 -0.135 1.00 0.00 H new ATOM 1192 N SER A 85 -2.865 -1.745 -2.372 1.00 0.00 N ATOM 1193 CA SER A 85 -1.921 -0.839 -3.016 1.00 0.00 C ATOM 1194 C SER A 85 -2.342 -0.518 -4.446 1.00 0.00 C ATOM 1195 O SER A 85 -1.715 0.302 -5.113 1.00 0.00 O ATOM 1196 CB SER A 85 -0.517 -1.443 -3.011 1.00 0.00 C ATOM 1197 OG SER A 85 -0.510 -2.727 -3.611 1.00 0.00 O ATOM 0 H SER A 85 -2.536 -2.707 -2.290 1.00 0.00 H new ATOM 0 HA SER A 85 -1.915 0.091 -2.447 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.167 -0.785 -3.546 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.153 -1.515 -1.986 1.00 0.00 H new ATOM 0 HG SER A 85 0.362 -2.888 -4.028 1.00 0.00 H new ATOM 1203 N CYS A 86 -3.406 -1.162 -4.912 1.00 0.00 N ATOM 1204 CA CYS A 86 -3.899 -0.928 -6.264 1.00 0.00 C ATOM 1205 C CYS A 86 -5.207 -0.148 -6.236 1.00 0.00 C ATOM 1206 O CYS A 86 -5.892 -0.027 -7.253 1.00 0.00 O ATOM 1207 CB CYS A 86 -4.094 -2.254 -7.007 1.00 0.00 C ATOM 1208 SG CYS A 86 -5.523 -3.231 -6.435 1.00 0.00 S ATOM 0 H CYS A 86 -3.941 -1.846 -4.377 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.153 -0.336 -6.795 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -4.212 -2.047 -8.071 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -3.191 -2.855 -6.898 1.00 0.00 H new ATOM 0 HG CYS A 86 -5.602 -4.330 -7.126 1.00 0.00 H new ATOM 1213 N GLN A 87 -5.556 0.377 -5.064 1.00 0.00 N ATOM 1214 CA GLN A 87 -6.789 1.138 -4.912 1.00 0.00 C ATOM 1215 C GLN A 87 -6.563 2.456 -4.170 1.00 0.00 C ATOM 1216 O GLN A 87 -7.451 3.309 -4.136 1.00 0.00 O ATOM 1217 CB GLN A 87 -7.837 0.303 -4.177 1.00 0.00 C ATOM 1218 CG GLN A 87 -8.623 -0.624 -5.089 1.00 0.00 C ATOM 1219 CD GLN A 87 -9.518 0.130 -6.053 1.00 0.00 C ATOM 1220 OE1 GLN A 87 -10.106 1.153 -5.701 1.00 0.00 O ATOM 1221 NE2 GLN A 87 -9.627 -0.373 -7.277 1.00 0.00 N ATOM 0 H GLN A 87 -5.004 0.289 -4.211 1.00 0.00 H new ATOM 0 HA GLN A 87 -7.147 1.378 -5.913 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -7.343 -0.290 -3.408 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -8.530 0.972 -3.667 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -7.929 -1.246 -5.654 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -9.232 -1.295 -4.482 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -9.122 -1.223 -7.526 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -10.216 0.091 -7.968 1.00 0.00 H new ATOM 1230 N VAL A 88 -5.383 2.630 -3.576 1.00 0.00 N ATOM 1231 CA VAL A 88 -5.077 3.850 -2.849 1.00 0.00 C ATOM 1232 C VAL A 88 -4.253 4.782 -3.713 1.00 0.00 C ATOM 1233 O VAL A 88 -3.108 4.488 -4.002 1.00 0.00 O ATOM 1234 CB VAL A 88 -4.295 3.532 -1.561 1.00 0.00 C ATOM 1235 CG1 VAL A 88 -3.602 4.772 -1.029 1.00 0.00 C ATOM 1236 CG2 VAL A 88 -5.213 2.924 -0.517 1.00 0.00 C ATOM 0 H VAL A 88 -4.630 1.942 -3.587 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.019 4.332 -2.587 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.524 2.799 -1.799 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.056 4.522 -0.119 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.905 5.149 -1.778 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.346 5.538 -0.807 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.643 2.706 0.386 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.012 3.627 -0.281 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.645 2.001 -0.905 1.00 0.00 H new ATOM 1246 N PHE A 89 -4.837 5.893 -4.148 1.00 0.00 N ATOM 1247 CA PHE A 89 -4.120 6.828 -5.009 1.00 0.00 C ATOM 1248 C PHE A 89 -3.787 8.141 -4.317 1.00 0.00 C ATOM 1249 O PHE A 89 -4.623 8.756 -3.654 1.00 0.00 O ATOM 1250 CB PHE A 89 -4.929 7.094 -6.271 1.00 0.00 C ATOM 1251 CG PHE A 89 -5.406 5.830 -6.908 1.00 0.00 C ATOM 1252 CD1 PHE A 89 -4.764 4.642 -6.617 1.00 0.00 C ATOM 1253 CD2 PHE A 89 -6.486 5.821 -7.779 1.00 0.00 C ATOM 1254 CE1 PHE A 89 -5.188 3.450 -7.179 1.00 0.00 C ATOM 1255 CE2 PHE A 89 -6.922 4.633 -8.348 1.00 0.00 C ATOM 1256 CZ PHE A 89 -6.270 3.445 -8.048 1.00 0.00 C ATOM 0 H PHE A 89 -5.793 6.167 -3.922 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.170 6.359 -5.264 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.786 7.722 -6.027 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.318 7.650 -6.982 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.921 4.643 -5.942 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.991 6.746 -8.016 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.679 2.528 -6.942 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.766 4.633 -9.022 1.00 0.00 H new ATOM 0 HZ PHE A 89 -6.604 2.518 -8.490 1.00 0.00 H new ATOM 1266 N ILE A 90 -2.545 8.554 -4.508 1.00 0.00 N ATOM 1267 CA ILE A 90 -2.015 9.784 -3.956 1.00 0.00 C ATOM 1268 C ILE A 90 -2.959 10.967 -4.169 1.00 0.00 C ATOM 1269 O ILE A 90 -3.866 10.919 -4.999 1.00 0.00 O ATOM 1270 CB ILE A 90 -0.655 10.063 -4.618 1.00 0.00 C ATOM 1271 CG1 ILE A 90 0.350 8.997 -4.194 1.00 0.00 C ATOM 1272 CG2 ILE A 90 -0.119 11.431 -4.268 1.00 0.00 C ATOM 1273 CD1 ILE A 90 1.221 9.437 -3.037 1.00 0.00 C ATOM 0 H ILE A 90 -1.866 8.032 -5.062 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.902 9.664 -2.879 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.804 10.034 -5.697 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.186 8.090 -3.915 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.984 8.744 -5.044 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.843 11.582 -4.759 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -0.821 12.194 -4.604 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.009 11.506 -3.188 1.00 0.00 H new ATOM 0 HD11 ILE A 90 1.916 8.637 -2.780 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.782 10.327 -3.322 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.594 9.663 -2.175 1.00 0.00 H new ATOM 1285 N ASP A 91 -2.728 12.026 -3.399 1.00 0.00 N ATOM 1286 CA ASP A 91 -3.513 13.235 -3.453 1.00 0.00 C ATOM 1287 C ASP A 91 -2.875 14.200 -2.464 1.00 0.00 C ATOM 1288 O ASP A 91 -2.032 13.781 -1.671 1.00 0.00 O ATOM 1289 CB ASP A 91 -4.972 12.916 -3.076 1.00 0.00 C ATOM 1290 CG ASP A 91 -5.329 13.306 -1.651 1.00 0.00 C ATOM 1291 OD1 ASP A 91 -5.553 14.509 -1.404 1.00 0.00 O ATOM 1292 OD2 ASP A 91 -5.385 12.408 -0.785 1.00 0.00 O ATOM 0 H ASP A 91 -1.975 12.059 -2.711 1.00 0.00 H new ATOM 0 HA ASP A 91 -3.530 13.675 -4.450 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.639 13.435 -3.764 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.148 11.848 -3.207 1.00 0.00 H new ATOM 1297 N PRO A 92 -3.238 15.484 -2.463 1.00 0.00 N ATOM 1298 CA PRO A 92 -2.671 16.462 -1.526 1.00 0.00 C ATOM 1299 C PRO A 92 -3.071 16.140 -0.087 1.00 0.00 C ATOM 1300 O PRO A 92 -3.481 17.010 0.680 1.00 0.00 O ATOM 1301 CB PRO A 92 -3.270 17.797 -1.994 1.00 0.00 C ATOM 1302 CG PRO A 92 -3.781 17.522 -3.372 1.00 0.00 C ATOM 1303 CD PRO A 92 -4.213 16.086 -3.359 1.00 0.00 C ATOM 0 HA PRO A 92 -1.581 16.470 -1.525 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.072 18.125 -1.332 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -2.519 18.587 -2.001 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -4.614 18.180 -3.621 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -3.006 17.692 -4.119 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.232 15.970 -2.990 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.182 15.642 -4.354 1.00 0.00 H new ATOM 1311 N SER A 93 -2.947 14.861 0.242 1.00 0.00 N ATOM 1312 CA SER A 93 -3.280 14.328 1.552 1.00 0.00 C ATOM 1313 C SER A 93 -2.264 13.253 1.945 1.00 0.00 C ATOM 1314 O SER A 93 -1.898 13.117 3.111 1.00 0.00 O ATOM 1315 CB SER A 93 -4.672 13.704 1.497 1.00 0.00 C ATOM 1316 OG SER A 93 -4.590 12.291 1.423 1.00 0.00 O ATOM 0 H SER A 93 -2.605 14.153 -0.408 1.00 0.00 H new ATOM 0 HA SER A 93 -3.260 15.132 2.288 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.240 13.994 2.381 1.00 0.00 H new ATOM 0 HB3 SER A 93 -5.213 14.087 0.631 1.00 0.00 H new ATOM 0 HG SER A 93 -4.712 12.004 0.494 1.00 0.00 H new ATOM 1322 N MET A 94 -1.825 12.493 0.941 1.00 0.00 N ATOM 1323 CA MET A 94 -0.866 11.420 1.120 1.00 0.00 C ATOM 1324 C MET A 94 0.444 11.787 0.447 1.00 0.00 C ATOM 1325 O MET A 94 1.059 10.969 -0.235 1.00 0.00 O ATOM 1326 CB MET A 94 -1.419 10.139 0.501 1.00 0.00 C ATOM 1327 CG MET A 94 -2.653 9.609 1.206 1.00 0.00 C ATOM 1328 SD MET A 94 -4.100 9.567 0.132 1.00 0.00 S ATOM 1329 CE MET A 94 -3.843 8.009 -0.710 1.00 0.00 C ATOM 0 H MET A 94 -2.132 12.612 -0.024 1.00 0.00 H new ATOM 0 HA MET A 94 -0.690 11.264 2.184 1.00 0.00 H new ATOM 0 HB2 MET A 94 -1.660 10.326 -0.545 1.00 0.00 H new ATOM 0 HB3 MET A 94 -0.644 9.373 0.518 1.00 0.00 H new ATOM 0 HG2 MET A 94 -2.451 8.604 1.577 1.00 0.00 H new ATOM 0 HG3 MET A 94 -2.867 10.233 2.074 1.00 0.00 H new ATOM 0 HE1 MET A 94 -4.367 8.021 -1.666 1.00 0.00 H new ATOM 0 HE2 MET A 94 -2.777 7.860 -0.882 1.00 0.00 H new ATOM 0 HE3 MET A 94 -4.228 7.195 -0.095 1.00 0.00 H new ATOM 1339 N ASP A 95 0.857 13.030 0.635 1.00 0.00 N ATOM 1340 CA ASP A 95 2.066 13.521 0.053 1.00 0.00 C ATOM 1341 C ASP A 95 3.211 13.279 1.012 1.00 0.00 C ATOM 1342 O ASP A 95 3.126 13.633 2.185 1.00 0.00 O ATOM 1343 CB ASP A 95 1.910 15.006 -0.288 1.00 0.00 C ATOM 1344 CG ASP A 95 0.462 15.397 -0.508 1.00 0.00 C ATOM 1345 OD1 ASP A 95 -0.086 15.053 -1.575 1.00 0.00 O ATOM 1346 OD2 ASP A 95 -0.122 16.045 0.385 1.00 0.00 O ATOM 0 H ASP A 95 0.354 13.716 1.198 1.00 0.00 H new ATOM 0 HA ASP A 95 2.283 12.993 -0.875 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.328 15.608 0.519 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.486 15.233 -1.185 1.00 0.00 H new ATOM 1351 N GLY A 96 4.247 12.612 0.533 1.00 0.00 N ATOM 1352 CA GLY A 96 5.339 12.269 1.410 1.00 0.00 C ATOM 1353 C GLY A 96 4.915 11.094 2.252 1.00 0.00 C ATOM 1354 O GLY A 96 5.370 10.920 3.378 1.00 0.00 O ATOM 0 H GLY A 96 4.350 12.306 -0.435 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.228 12.020 0.831 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.598 13.117 2.044 1.00 0.00 H new ATOM 1358 N LEU A 97 3.989 10.306 1.689 1.00 0.00 N ATOM 1359 CA LEU A 97 3.425 9.155 2.371 1.00 0.00 C ATOM 1360 C LEU A 97 4.409 8.014 2.487 1.00 0.00 C ATOM 1361 O LEU A 97 5.325 7.869 1.682 1.00 0.00 O ATOM 1362 CB LEU A 97 2.144 8.690 1.672 1.00 0.00 C ATOM 1363 CG LEU A 97 2.307 7.529 0.691 1.00 0.00 C ATOM 1364 CD1 LEU A 97 1.686 6.261 1.257 1.00 0.00 C ATOM 1365 CD2 LEU A 97 1.677 7.882 -0.647 1.00 0.00 C ATOM 0 H LEU A 97 3.617 10.456 0.751 1.00 0.00 H new ATOM 0 HA LEU A 97 3.182 9.472 3.385 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.422 8.398 2.434 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.717 9.537 1.136 1.00 0.00 H new ATOM 0 HG LEU A 97 3.371 7.348 0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.812 5.445 0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.177 6.003 2.195 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.624 6.425 1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.799 7.048 -1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.615 8.085 -0.507 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.164 8.767 -1.057 1.00 0.00 H new ATOM 1377 N ILE A 98 4.217 7.219 3.519 1.00 0.00 N ATOM 1378 CA ILE A 98 5.095 6.097 3.783 1.00 0.00 C ATOM 1379 C ILE A 98 4.381 4.771 3.600 1.00 0.00 C ATOM 1380 O ILE A 98 3.241 4.600 4.027 1.00 0.00 O ATOM 1381 CB ILE A 98 5.682 6.162 5.195 1.00 0.00 C ATOM 1382 CG1 ILE A 98 6.457 7.456 5.382 1.00 0.00 C ATOM 1383 CG2 ILE A 98 6.558 4.960 5.487 1.00 0.00 C ATOM 1384 CD1 ILE A 98 5.582 8.657 5.187 1.00 0.00 C ATOM 0 H ILE A 98 3.458 7.329 4.191 1.00 0.00 H new ATOM 0 HA ILE A 98 5.906 6.164 3.058 1.00 0.00 H new ATOM 0 HB ILE A 98 4.856 6.143 5.906 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.891 7.480 6.382 1.00 0.00 H new ATOM 0 HG13 ILE A 98 7.285 7.490 4.674 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.958 5.039 6.498 1.00 0.00 H new ATOM 0 HG22 ILE A 98 5.966 4.049 5.401 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.381 4.927 4.773 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.171 9.563 5.329 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.169 8.647 4.178 1.00 0.00 H new ATOM 0 HD13 ILE A 98 4.768 8.636 5.912 1.00 0.00 H new ATOM 1396 N VAL A 99 5.048 3.825 2.966 1.00 0.00 N ATOM 1397 CA VAL A 99 4.451 2.532 2.752 1.00 0.00 C ATOM 1398 C VAL A 99 5.305 1.395 3.285 1.00 0.00 C ATOM 1399 O VAL A 99 6.516 1.522 3.395 1.00 0.00 O ATOM 1400 CB VAL A 99 4.153 2.268 1.292 1.00 0.00 C ATOM 1401 CG1 VAL A 99 2.860 1.505 1.226 1.00 0.00 C ATOM 1402 CG2 VAL A 99 4.081 3.562 0.496 1.00 0.00 C ATOM 0 H VAL A 99 5.993 3.931 2.596 1.00 0.00 H new ATOM 0 HA VAL A 99 3.515 2.562 3.310 1.00 0.00 H new ATOM 0 HB VAL A 99 4.956 1.683 0.843 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.613 1.297 0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.964 0.566 1.769 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.064 2.098 1.676 1.00 0.00 H new ATOM 0 HG21 VAL A 99 3.866 3.335 -0.548 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.291 4.195 0.901 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.035 4.085 0.564 1.00 0.00 H new ATOM 1412 N ARG A 100 4.660 0.276 3.609 1.00 0.00 N ATOM 1413 CA ARG A 100 5.373 -0.883 4.131 1.00 0.00 C ATOM 1414 C ARG A 100 4.827 -2.186 3.562 1.00 0.00 C ATOM 1415 O ARG A 100 3.721 -2.233 3.023 1.00 0.00 O ATOM 1416 CB ARG A 100 5.285 -0.916 5.657 1.00 0.00 C ATOM 1417 CG ARG A 100 5.769 0.359 6.323 1.00 0.00 C ATOM 1418 CD ARG A 100 5.779 0.226 7.838 1.00 0.00 C ATOM 1419 NE ARG A 100 6.757 1.114 8.459 1.00 0.00 N ATOM 1420 CZ ARG A 100 7.120 1.031 9.735 1.00 0.00 C ATOM 1421 NH1 ARG A 100 6.588 0.103 10.518 1.00 0.00 N ATOM 1422 NH2 ARG A 100 8.015 1.875 10.228 1.00 0.00 N ATOM 0 H ARG A 100 3.652 0.150 3.519 1.00 0.00 H new ATOM 0 HA ARG A 100 6.415 -0.789 3.824 1.00 0.00 H new ATOM 0 HB2 ARG A 100 4.251 -1.098 5.949 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.873 -1.755 6.028 1.00 0.00 H new ATOM 0 HG2 ARG A 100 6.773 0.597 5.971 1.00 0.00 H new ATOM 0 HG3 ARG A 100 5.125 1.189 6.034 1.00 0.00 H new ATOM 0 HD2 ARG A 100 4.786 0.451 8.228 1.00 0.00 H new ATOM 0 HD3 ARG A 100 6.002 -0.806 8.110 1.00 0.00 H new ATOM 0 HE ARG A 100 7.185 1.838 7.882 1.00 0.00 H new ATOM 0 HH11 ARG A 100 5.899 -0.548 10.141 1.00 0.00 H new ATOM 0 HH12 ARG A 100 6.867 0.040 11.497 1.00 0.00 H new ATOM 0 HH21 ARG A 100 8.427 2.590 9.628 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.292 1.810 11.207 1.00 0.00 H new ATOM 1436 N VAL A 101 5.618 -3.245 3.697 1.00 0.00 N ATOM 1437 CA VAL A 101 5.236 -4.562 3.213 1.00 0.00 C ATOM 1438 C VAL A 101 5.201 -5.568 4.356 1.00 0.00 C ATOM 1439 O VAL A 101 6.057 -5.545 5.240 1.00 0.00 O ATOM 1440 CB VAL A 101 6.208 -5.066 2.133 1.00 0.00 C ATOM 1441 CG1 VAL A 101 5.841 -6.476 1.698 1.00 0.00 C ATOM 1442 CG2 VAL A 101 6.223 -4.115 0.948 1.00 0.00 C ATOM 0 H VAL A 101 6.535 -3.213 4.142 1.00 0.00 H new ATOM 0 HA VAL A 101 4.241 -4.468 2.778 1.00 0.00 H new ATOM 0 HB VAL A 101 7.212 -5.097 2.556 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.540 -6.815 0.934 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.890 -7.146 2.557 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.830 -6.480 1.292 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.916 -4.486 0.193 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.222 -4.049 0.521 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.542 -3.127 1.279 1.00 0.00 H new ATOM 1452 N PRO A 102 4.213 -6.471 4.346 1.00 0.00 N ATOM 1453 CA PRO A 102 4.066 -7.499 5.379 1.00 0.00 C ATOM 1454 C PRO A 102 5.326 -8.333 5.548 1.00 0.00 C ATOM 1455 O PRO A 102 6.379 -8.016 4.993 1.00 0.00 O ATOM 1456 CB PRO A 102 2.911 -8.373 4.871 1.00 0.00 C ATOM 1457 CG PRO A 102 2.745 -8.010 3.436 1.00 0.00 C ATOM 1458 CD PRO A 102 3.163 -6.572 3.326 1.00 0.00 C ATOM 0 HA PRO A 102 3.879 -7.058 6.358 1.00 0.00 H new ATOM 0 HB2 PRO A 102 3.140 -9.433 4.985 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.997 -8.182 5.433 1.00 0.00 H new ATOM 0 HG2 PRO A 102 3.360 -8.646 2.798 1.00 0.00 H new ATOM 0 HG3 PRO A 102 1.711 -8.142 3.116 1.00 0.00 H new ATOM 0 HD2 PRO A 102 3.539 -6.333 2.331 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.335 -5.892 3.526 1.00 0.00 H new