USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 680 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 46 THR OG1 : rot -26:sc= -4.11! USER MOD Set 1.2: A 49 ASN : amide:sc= -0.844 K(o=-5,f=-10!) USER MOD Single : A 3 LYS NZ :NH3+ 143:sc= -0.322 (180deg=-0.898) USER MOD Single : A 4 ASN : amide:sc= -0.624 K(o=-0.62,f=-2.8!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -1.56 K(o=-1.6,f=-4.1!) USER MOD Single : A 25 CYS SG : rot 76:sc= -0.626 USER MOD Single : A 26 GLN : amide:sc= -1.38 X(o=-1.4,f=-1.4) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -1.99! C(o=-2!,f=-2.1!) USER MOD Single : A 35 HIS : no HE2:sc= -0.927 K(o=-0.93,f=-1.9!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0.418 USER MOD Single : A 57 ASN : amide:sc= -1.68 K(o=-1.7,f=-4.7!) USER MOD Single : A 61 HIS : no HD1:sc= -9.73! C(o=-9.7!,f=-13!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -5.72! C(o=-5.7!,f=-8.4!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 8:sc=-0.00324 USER MOD Single : A 74 CYS SG : rot 160:sc= -1.06! USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -156:sc= -0.0204 (180deg=-0.994) USER MOD Single : A 85 THR OG1 : rot -150:sc= -0.581 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N LYS A 3 56.530 4.929 -1.236 1.00 0.00 N ATOM 28 CA LYS A 3 57.358 6.129 -1.078 1.00 0.00 C ATOM 29 C LYS A 3 58.846 5.790 -0.996 1.00 0.00 C ATOM 30 O LYS A 3 59.247 4.874 -0.280 1.00 0.00 O ATOM 31 CB LYS A 3 56.974 6.885 0.208 1.00 0.00 C ATOM 32 CG LYS A 3 56.802 5.890 1.369 1.00 0.00 C ATOM 33 CD LYS A 3 56.961 6.612 2.716 1.00 0.00 C ATOM 34 CE LYS A 3 56.082 7.867 2.757 1.00 0.00 C ATOM 35 NZ LYS A 3 54.691 7.518 2.355 1.00 0.00 N1+ ATOM 0 HA LYS A 3 57.178 6.748 -1.957 1.00 0.00 H new ATOM 0 HB2 LYS A 3 57.745 7.615 0.455 1.00 0.00 H new ATOM 0 HB3 LYS A 3 56.048 7.439 0.052 1.00 0.00 H new ATOM 0 HG2 LYS A 3 55.819 5.422 1.313 1.00 0.00 H new ATOM 0 HG3 LYS A 3 57.541 5.093 1.286 1.00 0.00 H new ATOM 0 HD2 LYS A 3 56.686 5.941 3.530 1.00 0.00 H new ATOM 0 HD3 LYS A 3 58.005 6.886 2.868 1.00 0.00 H new ATOM 0 HE2 LYS A 3 56.085 8.292 3.761 1.00 0.00 H new ATOM 0 HE3 LYS A 3 56.485 8.627 2.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 54.017 8.070 2.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 54.556 7.736 1.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 54.528 6.503 2.514 1.00 0.00 H new ATOM 49 N ASN A 4 59.666 6.580 -1.693 1.00 0.00 N ATOM 50 CA ASN A 4 61.113 6.430 -1.660 1.00 0.00 C ATOM 51 C ASN A 4 61.692 7.837 -1.720 1.00 0.00 C ATOM 52 O ASN A 4 61.610 8.498 -2.755 1.00 0.00 O ATOM 53 CB ASN A 4 61.610 5.587 -2.841 1.00 0.00 C ATOM 54 CG ASN A 4 60.726 5.813 -4.063 1.00 0.00 C ATOM 55 OD1 ASN A 4 60.121 6.878 -4.205 1.00 0.00 O ATOM 56 ND2 ASN A 4 60.612 4.865 -4.955 1.00 0.00 N ATOM 0 H ASN A 4 59.341 7.338 -2.293 1.00 0.00 H new ATOM 0 HA ASN A 4 61.429 5.911 -0.755 1.00 0.00 H new ATOM 0 HB2 ASN A 4 62.641 5.851 -3.076 1.00 0.00 H new ATOM 0 HB3 ASN A 4 61.605 4.531 -2.570 1.00 0.00 H new ATOM 0 HD21 ASN A 4 60.020 5.004 -5.774 1.00 0.00 H new ATOM 0 HD22 ASN A 4 61.115 3.986 -4.832 1.00 0.00 H new ATOM 63 N THR A 5 62.260 8.317 -0.611 1.00 0.00 N ATOM 64 CA THR A 5 62.818 9.674 -0.582 1.00 0.00 C ATOM 65 C THR A 5 64.141 9.688 0.180 1.00 0.00 C ATOM 66 O THR A 5 64.173 9.530 1.399 1.00 0.00 O ATOM 67 CB THR A 5 61.804 10.613 0.084 1.00 0.00 C ATOM 68 OG1 THR A 5 60.697 10.788 -0.792 1.00 0.00 O ATOM 69 CG2 THR A 5 62.443 11.977 0.375 1.00 0.00 C ATOM 0 H THR A 5 62.346 7.799 0.264 1.00 0.00 H new ATOM 0 HA THR A 5 63.013 10.012 -1.600 1.00 0.00 H new ATOM 0 HB THR A 5 61.476 10.175 1.027 1.00 0.00 H new ATOM 0 HG1 THR A 5 60.041 11.385 -0.375 1.00 0.00 H new ATOM 0 HG21 THR A 5 61.709 12.629 0.847 1.00 0.00 H new ATOM 0 HG22 THR A 5 63.294 11.845 1.043 1.00 0.00 H new ATOM 0 HG23 THR A 5 62.781 12.427 -0.558 1.00 0.00 H new ATOM 77 N VAL A 6 65.230 9.857 -0.559 1.00 0.00 N ATOM 78 CA VAL A 6 66.551 9.860 0.052 1.00 0.00 C ATOM 79 C VAL A 6 66.818 11.154 0.803 1.00 0.00 C ATOM 80 O VAL A 6 66.677 12.250 0.263 1.00 0.00 O ATOM 81 CB VAL A 6 67.628 9.662 -1.006 1.00 0.00 C ATOM 82 CG1 VAL A 6 67.650 10.872 -1.948 1.00 0.00 C ATOM 83 CG2 VAL A 6 68.989 9.521 -0.316 1.00 0.00 C ATOM 0 H VAL A 6 65.225 9.992 -1.570 1.00 0.00 H new ATOM 0 HA VAL A 6 66.579 9.035 0.764 1.00 0.00 H new ATOM 0 HB VAL A 6 67.416 8.762 -1.584 1.00 0.00 H new ATOM 0 HG11 VAL A 6 68.421 10.730 -2.705 1.00 0.00 H new ATOM 0 HG12 VAL A 6 66.679 10.973 -2.433 1.00 0.00 H new ATOM 0 HG13 VAL A 6 67.865 11.775 -1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 6 69.765 9.379 -1.068 1.00 0.00 H new ATOM 0 HG22 VAL A 6 69.201 10.423 0.258 1.00 0.00 H new ATOM 0 HG23 VAL A 6 68.970 8.661 0.353 1.00 0.00 H new ATOM 93 N VAL A 7 67.214 11.005 2.057 1.00 0.00 N ATOM 94 CA VAL A 7 67.522 12.142 2.903 1.00 0.00 C ATOM 95 C VAL A 7 68.944 12.593 2.630 1.00 0.00 C ATOM 96 O VAL A 7 69.223 13.777 2.456 1.00 0.00 O ATOM 97 CB VAL A 7 67.373 11.740 4.370 1.00 0.00 C ATOM 98 CG1 VAL A 7 67.507 12.976 5.269 1.00 0.00 C ATOM 99 CG2 VAL A 7 65.999 11.090 4.580 1.00 0.00 C ATOM 0 H VAL A 7 67.330 10.100 2.512 1.00 0.00 H new ATOM 0 HA VAL A 7 66.836 12.961 2.688 1.00 0.00 H new ATOM 0 HB VAL A 7 68.157 11.029 4.631 1.00 0.00 H new ATOM 0 HG11 VAL A 7 67.399 12.680 6.313 1.00 0.00 H new ATOM 0 HG12 VAL A 7 68.487 13.430 5.120 1.00 0.00 H new ATOM 0 HG13 VAL A 7 66.730 13.697 5.014 1.00 0.00 H new ATOM 0 HG21 VAL A 7 65.889 10.802 5.625 1.00 0.00 H new ATOM 0 HG22 VAL A 7 65.216 11.801 4.315 1.00 0.00 H new ATOM 0 HG23 VAL A 7 65.915 10.205 3.949 1.00 0.00 H new ATOM 109 N ARG A 8 69.840 11.611 2.584 1.00 0.00 N ATOM 110 CA ARG A 8 71.247 11.859 2.323 1.00 0.00 C ATOM 111 C ARG A 8 71.829 10.764 1.443 1.00 0.00 C ATOM 112 O ARG A 8 71.597 9.573 1.656 1.00 0.00 O ATOM 113 CB ARG A 8 72.026 11.941 3.644 1.00 0.00 C ATOM 114 CG ARG A 8 73.526 11.690 3.399 1.00 0.00 C ATOM 115 CD ARG A 8 74.317 12.127 4.625 1.00 0.00 C ATOM 116 NE ARG A 8 74.223 13.571 4.772 1.00 0.00 N ATOM 117 CZ ARG A 8 74.676 14.189 5.854 1.00 0.00 C ATOM 118 NH1 ARG A 8 74.610 13.604 7.020 1.00 0.00 N ATOM 119 NH2 ARG A 8 75.187 15.383 5.749 1.00 0.00 N1+ ATOM 0 H ARG A 8 69.609 10.628 2.726 1.00 0.00 H new ATOM 0 HA ARG A 8 71.337 12.811 1.799 1.00 0.00 H new ATOM 0 HB2 ARG A 8 71.884 12.922 4.097 1.00 0.00 H new ATOM 0 HB3 ARG A 8 71.638 11.206 4.349 1.00 0.00 H new ATOM 0 HG2 ARG A 8 73.701 10.633 3.197 1.00 0.00 H new ATOM 0 HG3 ARG A 8 73.860 12.242 2.521 1.00 0.00 H new ATOM 0 HD2 ARG A 8 73.929 11.634 5.516 1.00 0.00 H new ATOM 0 HD3 ARG A 8 75.360 11.828 4.524 1.00 0.00 H new ATOM 0 HE ARG A 8 73.799 14.121 4.025 1.00 0.00 H new ATOM 0 HH11 ARG A 8 74.209 12.669 7.100 1.00 0.00 H new ATOM 0 HH12 ARG A 8 74.959 14.082 7.851 1.00 0.00 H new ATOM 0 HH21 ARG A 8 75.237 15.838 4.837 1.00 0.00 H new ATOM 0 HH22 ARG A 8 75.537 15.863 6.578 1.00 0.00 H new ATOM 133 N GLY A 9 72.623 11.190 0.479 1.00 0.00 N ATOM 134 CA GLY A 9 73.296 10.276 -0.426 1.00 0.00 C ATOM 135 C GLY A 9 74.694 9.969 0.102 1.00 0.00 C ATOM 136 O GLY A 9 75.099 10.488 1.142 1.00 0.00 O ATOM 0 H GLY A 9 72.820 12.175 0.301 1.00 0.00 H new ATOM 0 HA2 GLY A 9 72.722 9.354 -0.521 1.00 0.00 H new ATOM 0 HA3 GLY A 9 73.361 10.716 -1.421 1.00 0.00 H new ATOM 140 N LEU A 10 75.422 9.122 -0.609 1.00 0.00 N ATOM 141 CA LEU A 10 76.767 8.750 -0.195 1.00 0.00 C ATOM 142 C LEU A 10 77.749 9.878 -0.507 1.00 0.00 C ATOM 143 O LEU A 10 77.523 10.675 -1.417 1.00 0.00 O ATOM 144 CB LEU A 10 77.188 7.472 -0.927 1.00 0.00 C ATOM 145 CG LEU A 10 76.263 6.317 -0.509 1.00 0.00 C ATOM 146 CD1 LEU A 10 76.466 5.130 -1.453 1.00 0.00 C ATOM 147 CD2 LEU A 10 76.559 5.881 0.937 1.00 0.00 C ATOM 0 H LEU A 10 75.106 8.680 -1.472 1.00 0.00 H new ATOM 0 HA LEU A 10 76.774 8.572 0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 10 77.135 7.623 -2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 10 78.223 7.228 -0.690 1.00 0.00 H new ATOM 0 HG LEU A 10 75.230 6.660 -0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 10 75.810 4.312 -1.155 1.00 0.00 H new ATOM 0 HD12 LEU A 10 76.230 5.432 -2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 10 77.503 4.799 -1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 10 75.894 5.063 1.214 1.00 0.00 H new ATOM 0 HD22 LEU A 10 77.594 5.548 1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 10 76.399 6.723 1.611 1.00 0.00 H new ATOM 159 N GLU A 11 78.843 9.939 0.252 1.00 0.00 N ATOM 160 CA GLU A 11 79.869 10.964 0.053 1.00 0.00 C ATOM 161 C GLU A 11 81.234 10.299 -0.036 1.00 0.00 C ATOM 162 O GLU A 11 81.346 9.079 0.085 1.00 0.00 O ATOM 163 CB GLU A 11 79.846 11.978 1.208 1.00 0.00 C ATOM 164 CG GLU A 11 80.207 11.289 2.528 1.00 0.00 C ATOM 165 CD GLU A 11 80.102 12.287 3.682 1.00 0.00 C ATOM 166 OE1 GLU A 11 80.477 13.431 3.487 1.00 0.00 O1- ATOM 167 OE2 GLU A 11 79.651 11.892 4.743 1.00 0.00 O ATOM 0 H GLU A 11 79.042 9.289 1.012 1.00 0.00 H new ATOM 0 HA GLU A 11 79.666 11.499 -0.875 1.00 0.00 H new ATOM 0 HB2 GLU A 11 80.551 12.785 1.007 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.857 12.430 1.284 1.00 0.00 H new ATOM 0 HG2 GLU A 11 79.539 10.446 2.703 1.00 0.00 H new ATOM 0 HG3 GLU A 11 81.219 10.888 2.474 1.00 0.00 H new ATOM 174 N ASN A 12 82.269 11.099 -0.233 1.00 0.00 N ATOM 175 CA ASN A 12 83.612 10.556 -0.319 1.00 0.00 C ATOM 176 C ASN A 12 83.996 9.957 1.025 1.00 0.00 C ATOM 177 O ASN A 12 83.489 10.379 2.064 1.00 0.00 O ATOM 178 CB ASN A 12 84.600 11.656 -0.710 1.00 0.00 C ATOM 179 CG ASN A 12 84.664 12.714 0.385 1.00 0.00 C ATOM 180 OD1 ASN A 12 83.877 12.680 1.331 1.00 0.00 O ATOM 181 ND2 ASN A 12 85.560 13.660 0.310 1.00 0.00 N ATOM 0 H ASN A 12 82.206 12.112 -0.335 1.00 0.00 H new ATOM 0 HA ASN A 12 83.642 9.779 -1.083 1.00 0.00 H new ATOM 0 HB2 ASN A 12 85.589 11.227 -0.871 1.00 0.00 H new ATOM 0 HB3 ASN A 12 84.294 12.113 -1.651 1.00 0.00 H new ATOM 0 HD21 ASN A 12 85.610 14.374 1.037 1.00 0.00 H new ATOM 0 HD22 ASN A 12 86.211 13.685 -0.475 1.00 0.00 H new ATOM 188 N VAL A 13 84.901 8.982 1.013 1.00 0.00 N ATOM 189 CA VAL A 13 85.344 8.354 2.265 1.00 0.00 C ATOM 190 C VAL A 13 86.863 8.230 2.292 1.00 0.00 C ATOM 191 O VAL A 13 87.484 7.809 1.316 1.00 0.00 O ATOM 192 CB VAL A 13 84.715 6.967 2.438 1.00 0.00 C ATOM 193 CG1 VAL A 13 85.345 6.270 3.655 1.00 0.00 C ATOM 194 CG2 VAL A 13 83.195 7.092 2.650 1.00 0.00 C ATOM 0 H VAL A 13 85.338 8.611 0.169 1.00 0.00 H new ATOM 0 HA VAL A 13 85.020 8.991 3.088 1.00 0.00 H new ATOM 0 HB VAL A 13 84.899 6.380 1.538 1.00 0.00 H new ATOM 0 HG11 VAL A 13 84.899 5.283 3.780 1.00 0.00 H new ATOM 0 HG12 VAL A 13 86.419 6.166 3.499 1.00 0.00 H new ATOM 0 HG13 VAL A 13 85.164 6.866 4.550 1.00 0.00 H new ATOM 0 HG21 VAL A 13 82.762 6.099 2.771 1.00 0.00 H new ATOM 0 HG22 VAL A 13 83.000 7.685 3.544 1.00 0.00 H new ATOM 0 HG23 VAL A 13 82.746 7.581 1.785 1.00 0.00 H new ATOM 204 N GLU A 14 87.448 8.600 3.426 1.00 0.00 N ATOM 205 CA GLU A 14 88.897 8.534 3.609 1.00 0.00 C ATOM 206 C GLU A 14 89.234 7.529 4.706 1.00 0.00 C ATOM 207 O GLU A 14 88.744 7.641 5.829 1.00 0.00 O ATOM 208 CB GLU A 14 89.422 9.915 3.998 1.00 0.00 C ATOM 209 CG GLU A 14 90.946 9.888 4.072 1.00 0.00 C ATOM 210 CD GLU A 14 91.463 11.289 4.378 1.00 0.00 C ATOM 211 OE1 GLU A 14 90.645 12.155 4.638 1.00 0.00 O ATOM 212 OE2 GLU A 14 92.669 11.474 4.353 1.00 0.00 O1- ATOM 0 H GLU A 14 86.939 8.951 4.238 1.00 0.00 H new ATOM 0 HA GLU A 14 89.365 8.215 2.678 1.00 0.00 H new ATOM 0 HB2 GLU A 14 89.098 10.656 3.268 1.00 0.00 H new ATOM 0 HB3 GLU A 14 89.007 10.214 4.961 1.00 0.00 H new ATOM 0 HG2 GLU A 14 91.271 9.192 4.845 1.00 0.00 H new ATOM 0 HG3 GLU A 14 91.361 9.533 3.128 1.00 0.00 H new ATOM 219 N ALA A 15 90.067 6.542 4.378 1.00 0.00 N ATOM 220 CA ALA A 15 90.451 5.517 5.353 1.00 0.00 C ATOM 221 C ALA A 15 91.893 5.053 5.118 1.00 0.00 C ATOM 222 O ALA A 15 92.270 4.699 4.006 1.00 0.00 O ATOM 223 CB ALA A 15 89.491 4.324 5.242 1.00 0.00 C ATOM 0 H ALA A 15 90.486 6.429 3.455 1.00 0.00 H new ATOM 0 HA ALA A 15 90.391 5.945 6.354 1.00 0.00 H new ATOM 0 HB1 ALA A 15 89.775 3.560 5.966 1.00 0.00 H new ATOM 0 HB2 ALA A 15 88.473 4.656 5.445 1.00 0.00 H new ATOM 0 HB3 ALA A 15 89.543 3.907 4.236 1.00 0.00 H new ATOM 229 N LEU A 16 92.702 5.083 6.170 1.00 0.00 N ATOM 230 CA LEU A 16 94.105 4.685 6.058 1.00 0.00 C ATOM 231 C LEU A 16 94.224 3.174 5.890 1.00 0.00 C ATOM 232 O LEU A 16 93.288 2.433 6.187 1.00 0.00 O ATOM 233 CB LEU A 16 94.868 5.137 7.309 1.00 0.00 C ATOM 234 CG LEU A 16 95.155 6.642 7.222 1.00 0.00 C ATOM 235 CD1 LEU A 16 93.842 7.416 7.092 1.00 0.00 C ATOM 236 CD2 LEU A 16 95.890 7.097 8.485 1.00 0.00 C ATOM 0 H LEU A 16 92.416 5.376 7.104 1.00 0.00 H new ATOM 0 HA LEU A 16 94.537 5.162 5.178 1.00 0.00 H new ATOM 0 HB2 LEU A 16 94.283 4.919 8.202 1.00 0.00 H new ATOM 0 HB3 LEU A 16 95.803 4.583 7.397 1.00 0.00 H new ATOM 0 HG LEU A 16 95.775 6.837 6.347 1.00 0.00 H new ATOM 0 HD11 LEU A 16 94.053 8.484 7.031 1.00 0.00 H new ATOM 0 HD12 LEU A 16 93.320 7.097 6.190 1.00 0.00 H new ATOM 0 HD13 LEU A 16 93.216 7.219 7.962 1.00 0.00 H new ATOM 0 HD21 LEU A 16 96.093 8.166 8.422 1.00 0.00 H new ATOM 0 HD22 LEU A 16 95.270 6.896 9.359 1.00 0.00 H new ATOM 0 HD23 LEU A 16 96.830 6.553 8.574 1.00 0.00 H new ATOM 248 N GLU A 17 95.382 2.717 5.416 1.00 0.00 N ATOM 249 CA GLU A 17 95.589 1.288 5.227 1.00 0.00 C ATOM 250 C GLU A 17 95.219 0.549 6.505 1.00 0.00 C ATOM 251 O GLU A 17 95.548 0.986 7.607 1.00 0.00 O ATOM 252 CB GLU A 17 97.048 1.007 4.849 1.00 0.00 C ATOM 253 CG GLU A 17 97.260 -0.499 4.659 1.00 0.00 C ATOM 254 CD GLU A 17 98.705 -0.769 4.255 1.00 0.00 C ATOM 255 OE1 GLU A 17 99.501 0.152 4.332 1.00 0.00 O ATOM 256 OE2 GLU A 17 98.997 -1.895 3.885 1.00 0.00 O1- ATOM 0 H GLU A 17 96.176 3.305 5.161 1.00 0.00 H new ATOM 0 HA GLU A 17 94.953 0.937 4.415 1.00 0.00 H new ATOM 0 HB2 GLU A 17 97.303 1.537 3.931 1.00 0.00 H new ATOM 0 HB3 GLU A 17 97.712 1.381 5.628 1.00 0.00 H new ATOM 0 HG2 GLU A 17 97.026 -1.028 5.583 1.00 0.00 H new ATOM 0 HG3 GLU A 17 96.582 -0.878 3.894 1.00 0.00 H new ATOM 263 N GLY A 18 94.510 -0.560 6.349 1.00 0.00 N ATOM 264 CA GLY A 18 94.073 -1.342 7.487 1.00 0.00 C ATOM 265 C GLY A 18 93.065 -0.549 8.305 1.00 0.00 C ATOM 266 O GLY A 18 92.813 -0.850 9.471 1.00 0.00 O ATOM 0 H GLY A 18 94.227 -0.935 5.444 1.00 0.00 H new ATOM 0 HA2 GLY A 18 93.624 -2.275 7.147 1.00 0.00 H new ATOM 0 HA3 GLY A 18 94.929 -1.607 8.107 1.00 0.00 H new ATOM 270 N GLY A 19 92.499 0.481 7.679 1.00 0.00 N ATOM 271 CA GLY A 19 91.520 1.337 8.344 1.00 0.00 C ATOM 272 C GLY A 19 90.111 0.767 8.224 1.00 0.00 C ATOM 273 O GLY A 19 89.926 -0.414 7.924 1.00 0.00 O ATOM 0 H GLY A 19 92.701 0.742 6.714 1.00 0.00 H new ATOM 0 HA2 GLY A 19 91.783 1.443 9.396 1.00 0.00 H new ATOM 0 HA3 GLY A 19 91.549 2.335 7.906 1.00 0.00 H new ATOM 277 N GLU A 20 89.119 1.622 8.463 1.00 0.00 N ATOM 278 CA GLU A 20 87.711 1.227 8.384 1.00 0.00 C ATOM 279 C GLU A 20 86.933 2.262 7.577 1.00 0.00 C ATOM 280 O GLU A 20 87.215 3.456 7.657 1.00 0.00 O ATOM 281 CB GLU A 20 87.133 1.123 9.799 1.00 0.00 C ATOM 282 CG GLU A 20 85.685 0.638 9.745 1.00 0.00 C ATOM 283 CD GLU A 20 85.132 0.512 11.159 1.00 0.00 C ATOM 284 OE1 GLU A 20 85.807 0.945 12.081 1.00 0.00 O ATOM 285 OE2 GLU A 20 84.036 -0.005 11.298 1.00 0.00 O1- ATOM 0 H GLU A 20 89.264 2.600 8.715 1.00 0.00 H new ATOM 0 HA GLU A 20 87.629 0.259 7.890 1.00 0.00 H new ATOM 0 HB2 GLU A 20 87.732 0.434 10.395 1.00 0.00 H new ATOM 0 HB3 GLU A 20 87.180 2.094 10.291 1.00 0.00 H new ATOM 0 HG2 GLU A 20 85.079 1.336 9.168 1.00 0.00 H new ATOM 0 HG3 GLU A 20 85.633 -0.325 9.237 1.00 0.00 H new ATOM 292 N ALA A 21 85.967 1.798 6.782 1.00 0.00 N ATOM 293 CA ALA A 21 85.165 2.697 5.943 1.00 0.00 C ATOM 294 C ALA A 21 83.685 2.328 6.032 1.00 0.00 C ATOM 295 O ALA A 21 83.324 1.155 5.905 1.00 0.00 O ATOM 296 CB ALA A 21 85.652 2.575 4.499 1.00 0.00 C ATOM 0 H ALA A 21 85.720 0.812 6.700 1.00 0.00 H new ATOM 0 HA ALA A 21 85.279 3.724 6.289 1.00 0.00 H new ATOM 0 HB1 ALA A 21 85.067 3.237 3.860 1.00 0.00 H new ATOM 0 HB2 ALA A 21 86.704 2.855 4.445 1.00 0.00 H new ATOM 0 HB3 ALA A 21 85.533 1.546 4.161 1.00 0.00 H new ATOM 302 N LEU A 22 82.824 3.338 6.253 1.00 0.00 N ATOM 303 CA LEU A 22 81.376 3.102 6.365 1.00 0.00 C ATOM 304 C LEU A 22 80.609 3.869 5.291 1.00 0.00 C ATOM 305 O LEU A 22 80.619 5.100 5.278 1.00 0.00 O ATOM 306 CB LEU A 22 80.837 3.558 7.741 1.00 0.00 C ATOM 307 CG LEU A 22 81.704 3.036 8.906 1.00 0.00 C ATOM 308 CD1 LEU A 22 81.855 1.508 8.817 1.00 0.00 C ATOM 309 CD2 LEU A 22 83.091 3.722 8.911 1.00 0.00 C ATOM 0 H LEU A 22 83.103 4.314 6.356 1.00 0.00 H new ATOM 0 HA LEU A 22 81.227 2.029 6.242 1.00 0.00 H new ATOM 0 HB2 LEU A 22 80.804 4.647 7.774 1.00 0.00 H new ATOM 0 HB3 LEU A 22 79.814 3.204 7.864 1.00 0.00 H new ATOM 0 HG LEU A 22 81.203 3.281 9.843 1.00 0.00 H new ATOM 0 HD11 LEU A 22 82.469 1.154 9.645 1.00 0.00 H new ATOM 0 HD12 LEU A 22 80.871 1.042 8.869 1.00 0.00 H new ATOM 0 HD13 LEU A 22 82.332 1.244 7.873 1.00 0.00 H new ATOM 0 HD21 LEU A 22 83.684 3.338 9.741 1.00 0.00 H new ATOM 0 HD22 LEU A 22 83.603 3.513 7.972 1.00 0.00 H new ATOM 0 HD23 LEU A 22 82.964 4.799 9.024 1.00 0.00 H new ATOM 321 N PHE A 23 79.933 3.143 4.394 1.00 0.00 N ATOM 322 CA PHE A 23 79.150 3.774 3.328 1.00 0.00 C ATOM 323 C PHE A 23 77.664 3.583 3.614 1.00 0.00 C ATOM 324 O PHE A 23 77.104 2.530 3.303 1.00 0.00 O ATOM 325 CB PHE A 23 79.483 3.114 1.974 1.00 0.00 C ATOM 326 CG PHE A 23 80.733 3.724 1.371 1.00 0.00 C ATOM 327 CD1 PHE A 23 81.992 3.445 1.922 1.00 0.00 C ATOM 328 CD2 PHE A 23 80.630 4.558 0.250 1.00 0.00 C ATOM 329 CE1 PHE A 23 83.144 4.003 1.348 1.00 0.00 C ATOM 330 CE2 PHE A 23 81.778 5.114 -0.318 1.00 0.00 C ATOM 331 CZ PHE A 23 83.036 4.838 0.230 1.00 0.00 C ATOM 0 H PHE A 23 79.913 2.123 4.385 1.00 0.00 H new ATOM 0 HA PHE A 23 79.392 4.836 3.288 1.00 0.00 H new ATOM 0 HB2 PHE A 23 79.626 2.042 2.112 1.00 0.00 H new ATOM 0 HB3 PHE A 23 78.645 3.238 1.288 1.00 0.00 H new ATOM 0 HD1 PHE A 23 82.075 2.802 2.786 1.00 0.00 H new ATOM 0 HD2 PHE A 23 79.661 4.771 -0.176 1.00 0.00 H new ATOM 0 HE1 PHE A 23 84.115 3.788 1.769 1.00 0.00 H new ATOM 0 HE2 PHE A 23 81.695 5.758 -1.181 1.00 0.00 H new ATOM 0 HZ PHE A 23 83.923 5.269 -0.210 1.00 0.00 H new ATOM 341 N GLU A 24 77.027 4.591 4.223 1.00 0.00 N ATOM 342 CA GLU A 24 75.599 4.498 4.554 1.00 0.00 C ATOM 343 C GLU A 24 74.815 5.688 4.014 1.00 0.00 C ATOM 344 O GLU A 24 75.355 6.773 3.803 1.00 0.00 O ATOM 345 CB GLU A 24 75.413 4.371 6.091 1.00 0.00 C ATOM 346 CG GLU A 24 75.186 5.743 6.758 1.00 0.00 C ATOM 347 CD GLU A 24 73.737 6.197 6.577 1.00 0.00 C ATOM 348 OE1 GLU A 24 72.857 5.352 6.634 1.00 0.00 O1- ATOM 349 OE2 GLU A 24 73.531 7.382 6.377 1.00 0.00 O ATOM 0 H GLU A 24 77.470 5.469 4.494 1.00 0.00 H new ATOM 0 HA GLU A 24 75.202 3.604 4.073 1.00 0.00 H new ATOM 0 HB2 GLU A 24 74.564 3.720 6.301 1.00 0.00 H new ATOM 0 HB3 GLU A 24 76.293 3.897 6.525 1.00 0.00 H new ATOM 0 HG2 GLU A 24 75.423 5.681 7.820 1.00 0.00 H new ATOM 0 HG3 GLU A 24 75.861 6.481 6.324 1.00 0.00 H new ATOM 356 N CYS A 25 73.520 5.461 3.838 1.00 0.00 N ATOM 357 CA CYS A 25 72.605 6.489 3.359 1.00 0.00 C ATOM 358 C CYS A 25 71.287 6.377 4.126 1.00 0.00 C ATOM 359 O CYS A 25 70.876 5.284 4.516 1.00 0.00 O ATOM 360 CB CYS A 25 72.381 6.314 1.846 1.00 0.00 C ATOM 361 SG CYS A 25 70.781 7.013 1.353 1.00 0.00 S ATOM 0 H CYS A 25 73.075 4.562 4.023 1.00 0.00 H new ATOM 0 HA CYS A 25 73.026 7.480 3.528 1.00 0.00 H new ATOM 0 HB2 CYS A 25 73.184 6.804 1.295 1.00 0.00 H new ATOM 0 HB3 CYS A 25 72.417 5.256 1.587 1.00 0.00 H new ATOM 0 HG CYS A 25 70.867 8.310 1.316 1.00 0.00 H new ATOM 367 N GLN A 26 70.628 7.515 4.345 1.00 0.00 N ATOM 368 CA GLN A 26 69.354 7.534 5.071 1.00 0.00 C ATOM 369 C GLN A 26 68.216 7.852 4.107 1.00 0.00 C ATOM 370 O GLN A 26 68.218 8.901 3.461 1.00 0.00 O ATOM 371 CB GLN A 26 69.384 8.607 6.169 1.00 0.00 C ATOM 372 CG GLN A 26 70.354 8.206 7.286 1.00 0.00 C ATOM 373 CD GLN A 26 70.368 9.291 8.363 1.00 0.00 C ATOM 374 OE1 GLN A 26 69.311 9.702 8.841 1.00 0.00 O ATOM 375 NE2 GLN A 26 71.505 9.788 8.772 1.00 0.00 N ATOM 0 H GLN A 26 70.951 8.431 4.033 1.00 0.00 H new ATOM 0 HA GLN A 26 69.198 6.554 5.523 1.00 0.00 H new ATOM 0 HB2 GLN A 26 69.687 9.563 5.743 1.00 0.00 H new ATOM 0 HB3 GLN A 26 68.384 8.743 6.580 1.00 0.00 H new ATOM 0 HG2 GLN A 26 70.052 7.252 7.719 1.00 0.00 H new ATOM 0 HG3 GLN A 26 71.356 8.069 6.880 1.00 0.00 H new ATOM 0 HE21 GLN A 26 72.382 9.448 8.377 1.00 0.00 H new ATOM 0 HE22 GLN A 26 71.516 10.516 9.487 1.00 0.00 H new ATOM 384 N LEU A 27 67.243 6.941 4.002 1.00 0.00 N ATOM 385 CA LEU A 27 66.110 7.154 3.092 1.00 0.00 C ATOM 386 C LEU A 27 64.786 6.831 3.763 1.00 0.00 C ATOM 387 O LEU A 27 64.738 6.411 4.919 1.00 0.00 O ATOM 388 CB LEU A 27 66.262 6.267 1.850 1.00 0.00 C ATOM 389 CG LEU A 27 66.840 4.899 2.249 1.00 0.00 C ATOM 390 CD1 LEU A 27 65.975 4.245 3.336 1.00 0.00 C ATOM 391 CD2 LEU A 27 66.870 3.989 1.020 1.00 0.00 C ATOM 0 H LEU A 27 67.215 6.065 4.524 1.00 0.00 H new ATOM 0 HA LEU A 27 66.111 8.207 2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 27 65.294 6.135 1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 27 66.917 6.751 1.125 1.00 0.00 H new ATOM 0 HG LEU A 27 67.848 5.043 2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 27 66.399 3.278 3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 27 65.949 4.888 4.216 1.00 0.00 H new ATOM 0 HD13 LEU A 27 64.962 4.104 2.959 1.00 0.00 H new ATOM 0 HD21 LEU A 27 67.279 3.017 1.297 1.00 0.00 H new ATOM 0 HD22 LEU A 27 65.857 3.861 0.637 1.00 0.00 H new ATOM 0 HD23 LEU A 27 67.495 4.439 0.249 1.00 0.00 H new ATOM 403 N SER A 28 63.706 7.019 3.003 1.00 0.00 N ATOM 404 CA SER A 28 62.364 6.727 3.493 1.00 0.00 C ATOM 405 C SER A 28 61.679 5.692 2.608 1.00 0.00 C ATOM 406 O SER A 28 61.223 6.002 1.515 1.00 0.00 O ATOM 407 CB SER A 28 61.527 8.002 3.541 1.00 0.00 C ATOM 408 OG SER A 28 60.213 7.684 3.975 1.00 0.00 O ATOM 0 H SER A 28 63.738 7.372 2.047 1.00 0.00 H new ATOM 0 HA SER A 28 62.452 6.321 4.501 1.00 0.00 H new ATOM 0 HB2 SER A 28 61.982 8.724 4.219 1.00 0.00 H new ATOM 0 HB3 SER A 28 61.495 8.467 2.556 1.00 0.00 H new ATOM 0 HG SER A 28 59.673 8.501 4.009 1.00 0.00 H new ATOM 414 N GLN A 29 61.600 4.466 3.105 1.00 0.00 N ATOM 415 CA GLN A 29 60.961 3.373 2.377 1.00 0.00 C ATOM 416 C GLN A 29 61.030 2.067 3.190 1.00 0.00 C ATOM 417 O GLN A 29 62.021 1.342 3.111 1.00 0.00 O ATOM 418 CB GLN A 29 61.656 3.157 1.023 1.00 0.00 C ATOM 419 CG GLN A 29 63.178 3.278 1.184 1.00 0.00 C ATOM 420 CD GLN A 29 63.875 2.606 0.004 1.00 0.00 C ATOM 421 OE1 GLN A 29 63.540 2.879 -1.149 1.00 0.00 O ATOM 422 NE2 GLN A 29 64.831 1.741 0.223 1.00 0.00 N ATOM 0 H GLN A 29 61.973 4.200 4.016 1.00 0.00 H new ATOM 0 HA GLN A 29 59.917 3.641 2.214 1.00 0.00 H new ATOM 0 HB2 GLN A 29 61.402 2.173 0.628 1.00 0.00 H new ATOM 0 HB3 GLN A 29 61.300 3.892 0.301 1.00 0.00 H new ATOM 0 HG2 GLN A 29 63.465 4.328 1.239 1.00 0.00 H new ATOM 0 HG3 GLN A 29 63.493 2.812 2.118 1.00 0.00 H new ATOM 0 HE21 GLN A 29 65.107 1.517 1.179 1.00 0.00 H new ATOM 0 HE22 GLN A 29 65.301 1.291 -0.562 1.00 0.00 H new ATOM 431 N PRO A 30 60.009 1.732 3.948 1.00 0.00 N ATOM 432 CA PRO A 30 60.017 0.470 4.735 1.00 0.00 C ATOM 433 C PRO A 30 59.988 -0.744 3.802 1.00 0.00 C ATOM 434 O PRO A 30 60.303 -1.862 4.209 1.00 0.00 O ATOM 435 CB PRO A 30 58.765 0.543 5.643 1.00 0.00 C ATOM 436 CG PRO A 30 58.072 1.851 5.340 1.00 0.00 C ATOM 437 CD PRO A 30 58.769 2.499 4.132 1.00 0.00 C ATOM 0 HA PRO A 30 60.921 0.358 5.334 1.00 0.00 H new ATOM 0 HB2 PRO A 30 58.100 -0.299 5.450 1.00 0.00 H new ATOM 0 HB3 PRO A 30 59.048 0.492 6.694 1.00 0.00 H new ATOM 0 HG2 PRO A 30 57.017 1.681 5.123 1.00 0.00 H new ATOM 0 HG3 PRO A 30 58.117 2.513 6.204 1.00 0.00 H new ATOM 0 HD2 PRO A 30 58.141 2.452 3.243 1.00 0.00 H new ATOM 0 HD3 PRO A 30 58.981 3.552 4.317 1.00 0.00 H new ATOM 445 N GLU A 31 59.641 -0.501 2.536 1.00 0.00 N ATOM 446 CA GLU A 31 59.610 -1.556 1.527 1.00 0.00 C ATOM 447 C GLU A 31 59.935 -0.941 0.176 1.00 0.00 C ATOM 448 O GLU A 31 59.432 0.133 -0.157 1.00 0.00 O ATOM 449 CB GLU A 31 58.232 -2.233 1.495 1.00 0.00 C ATOM 450 CG GLU A 31 57.140 -1.199 1.210 1.00 0.00 C ATOM 451 CD GLU A 31 55.767 -1.869 1.248 1.00 0.00 C ATOM 452 OE1 GLU A 31 55.681 -3.025 0.871 1.00 0.00 O1- ATOM 453 OE2 GLU A 31 54.822 -1.217 1.654 1.00 0.00 O ATOM 0 H GLU A 31 59.377 0.420 2.187 1.00 0.00 H new ATOM 0 HA GLU A 31 60.348 -2.321 1.771 1.00 0.00 H new ATOM 0 HB2 GLU A 31 58.218 -3.008 0.729 1.00 0.00 H new ATOM 0 HB3 GLU A 31 58.038 -2.724 2.449 1.00 0.00 H new ATOM 0 HG2 GLU A 31 57.184 -0.398 1.948 1.00 0.00 H new ATOM 0 HG3 GLU A 31 57.305 -0.743 0.234 1.00 0.00 H new ATOM 496 N HIS A 35 66.005 -2.249 -6.439 1.00 0.00 N ATOM 497 CA HIS A 35 67.295 -1.737 -5.988 1.00 0.00 C ATOM 498 C HIS A 35 68.450 -2.682 -6.324 1.00 0.00 C ATOM 499 O HIS A 35 68.386 -3.883 -6.060 1.00 0.00 O ATOM 500 CB HIS A 35 67.238 -1.531 -4.477 1.00 0.00 C ATOM 501 CG HIS A 35 66.875 -2.832 -3.810 1.00 0.00 C ATOM 502 ND1 HIS A 35 65.625 -3.419 -3.947 1.00 0.00 N ATOM 503 CD2 HIS A 35 67.589 -3.668 -2.990 1.00 0.00 C ATOM 504 CE1 HIS A 35 65.628 -4.555 -3.224 1.00 0.00 C ATOM 505 NE2 HIS A 35 66.803 -4.753 -2.621 1.00 0.00 N ATOM 0 HA HIS A 35 67.482 -0.798 -6.508 1.00 0.00 H new ATOM 0 HB2 HIS A 35 68.202 -1.178 -4.110 1.00 0.00 H new ATOM 0 HB3 HIS A 35 66.503 -0.765 -4.230 1.00 0.00 H new ATOM 0 HD1 HIS A 35 64.846 -3.056 -4.496 1.00 0.00 H new ATOM 0 HD2 HIS A 35 68.610 -3.507 -2.678 1.00 0.00 H new ATOM 0 HE1 HIS A 35 64.784 -5.224 -3.142 1.00 0.00 H new ATOM 513 N THR A 36 69.522 -2.109 -6.878 1.00 0.00 N ATOM 514 CA THR A 36 70.728 -2.861 -7.224 1.00 0.00 C ATOM 515 C THR A 36 71.935 -2.190 -6.581 1.00 0.00 C ATOM 516 O THR A 36 72.143 -0.995 -6.757 1.00 0.00 O ATOM 517 CB THR A 36 70.922 -2.887 -8.743 1.00 0.00 C ATOM 518 OG1 THR A 36 69.806 -3.521 -9.350 1.00 0.00 O ATOM 519 CG2 THR A 36 72.211 -3.653 -9.087 1.00 0.00 C ATOM 0 H THR A 36 69.577 -1.115 -7.098 1.00 0.00 H new ATOM 0 HA THR A 36 70.625 -3.883 -6.861 1.00 0.00 H new ATOM 0 HB THR A 36 71.004 -1.867 -9.118 1.00 0.00 H new ATOM 0 HG1 THR A 36 69.928 -3.537 -10.322 1.00 0.00 H new ATOM 0 HG21 THR A 36 72.347 -3.670 -10.168 1.00 0.00 H new ATOM 0 HG22 THR A 36 73.064 -3.158 -8.622 1.00 0.00 H new ATOM 0 HG23 THR A 36 72.137 -4.675 -8.715 1.00 0.00 H new ATOM 527 N TRP A 37 72.726 -2.953 -5.827 1.00 0.00 N ATOM 528 CA TRP A 37 73.907 -2.399 -5.144 1.00 0.00 C ATOM 529 C TRP A 37 75.188 -3.071 -5.632 1.00 0.00 C ATOM 530 O TRP A 37 75.542 -4.159 -5.180 1.00 0.00 O ATOM 531 CB TRP A 37 73.749 -2.620 -3.636 1.00 0.00 C ATOM 532 CG TRP A 37 74.633 -1.693 -2.847 1.00 0.00 C ATOM 533 CD1 TRP A 37 75.710 -1.017 -3.322 1.00 0.00 C ATOM 534 CD2 TRP A 37 74.514 -1.327 -1.439 1.00 0.00 C ATOM 535 NE1 TRP A 37 76.254 -0.265 -2.291 1.00 0.00 N ATOM 536 CE2 TRP A 37 75.552 -0.422 -1.114 1.00 0.00 C ATOM 537 CE3 TRP A 37 73.612 -1.691 -0.425 1.00 0.00 C ATOM 538 CZ2 TRP A 37 75.691 0.103 0.172 1.00 0.00 C ATOM 539 CZ3 TRP A 37 73.746 -1.162 0.871 1.00 0.00 C ATOM 540 CH2 TRP A 37 74.783 -0.266 1.170 1.00 0.00 C ATOM 0 H TRP A 37 72.577 -3.950 -5.671 1.00 0.00 H new ATOM 0 HA TRP A 37 73.980 -1.334 -5.366 1.00 0.00 H new ATOM 0 HB2 TRP A 37 72.709 -2.462 -3.351 1.00 0.00 H new ATOM 0 HB3 TRP A 37 73.993 -3.654 -3.391 1.00 0.00 H new ATOM 0 HD1 TRP A 37 76.082 -1.058 -4.335 1.00 0.00 H new ATOM 0 HE1 TRP A 37 77.075 0.332 -2.391 1.00 0.00 H new ATOM 0 HE3 TRP A 37 72.811 -2.382 -0.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 76.494 0.790 0.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 73.045 -1.448 1.642 1.00 0.00 H new ATOM 0 HH2 TRP A 37 74.880 0.137 2.167 1.00 0.00 H new ATOM 551 N LEU A 38 75.880 -2.403 -6.556 1.00 0.00 N ATOM 552 CA LEU A 38 77.132 -2.929 -7.106 1.00 0.00 C ATOM 553 C LEU A 38 78.255 -1.906 -6.989 1.00 0.00 C ATOM 554 O LEU A 38 78.234 -0.858 -7.639 1.00 0.00 O ATOM 555 CB LEU A 38 76.950 -3.298 -8.582 1.00 0.00 C ATOM 556 CG LEU A 38 75.845 -4.348 -8.732 1.00 0.00 C ATOM 557 CD1 LEU A 38 75.599 -4.594 -10.224 1.00 0.00 C ATOM 558 CD2 LEU A 38 76.266 -5.671 -8.067 1.00 0.00 C ATOM 0 H LEU A 38 75.597 -1.501 -6.938 1.00 0.00 H new ATOM 0 HA LEU A 38 77.397 -3.816 -6.532 1.00 0.00 H new ATOM 0 HB2 LEU A 38 76.697 -2.408 -9.158 1.00 0.00 H new ATOM 0 HB3 LEU A 38 77.886 -3.684 -8.986 1.00 0.00 H new ATOM 0 HG LEU A 38 74.938 -3.984 -8.249 1.00 0.00 H new ATOM 0 HD11 LEU A 38 74.814 -5.340 -10.345 1.00 0.00 H new ATOM 0 HD12 LEU A 38 75.291 -3.663 -10.700 1.00 0.00 H new ATOM 0 HD13 LEU A 38 76.517 -4.954 -10.690 1.00 0.00 H new ATOM 0 HD21 LEU A 38 75.469 -6.406 -8.183 1.00 0.00 H new ATOM 0 HD22 LEU A 38 77.175 -6.043 -8.540 1.00 0.00 H new ATOM 0 HD23 LEU A 38 76.452 -5.502 -7.006 1.00 0.00 H new ATOM 570 N LEU A 39 79.254 -2.239 -6.181 1.00 0.00 N ATOM 571 CA LEU A 39 80.413 -1.385 -6.006 1.00 0.00 C ATOM 572 C LEU A 39 81.437 -1.948 -6.954 1.00 0.00 C ATOM 573 O LEU A 39 81.272 -1.836 -8.168 1.00 0.00 O ATOM 574 CB LEU A 39 80.904 -1.406 -4.536 1.00 0.00 C ATOM 575 CG LEU A 39 80.338 -2.613 -3.778 1.00 0.00 C ATOM 576 CD1 LEU A 39 80.979 -3.907 -4.286 1.00 0.00 C ATOM 577 CD2 LEU A 39 80.659 -2.454 -2.295 1.00 0.00 C ATOM 0 H LEU A 39 79.281 -3.100 -5.635 1.00 0.00 H new ATOM 0 HA LEU A 39 80.200 -0.337 -6.218 1.00 0.00 H new ATOM 0 HB2 LEU A 39 81.993 -1.438 -4.514 1.00 0.00 H new ATOM 0 HB3 LEU A 39 80.602 -0.486 -4.036 1.00 0.00 H new ATOM 0 HG LEU A 39 79.261 -2.663 -3.935 1.00 0.00 H new ATOM 0 HD11 LEU A 39 80.568 -4.756 -3.739 1.00 0.00 H new ATOM 0 HD12 LEU A 39 80.769 -4.024 -5.349 1.00 0.00 H new ATOM 0 HD13 LEU A 39 82.057 -3.864 -4.132 1.00 0.00 H new ATOM 0 HD21 LEU A 39 80.262 -3.306 -1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 39 81.739 -2.406 -2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 39 80.205 -1.536 -1.921 1.00 0.00 H new ATOM 589 N ASP A 40 82.443 -2.633 -6.438 1.00 0.00 N ATOM 590 CA ASP A 40 83.374 -3.269 -7.320 1.00 0.00 C ATOM 591 C ASP A 40 82.550 -4.232 -8.157 1.00 0.00 C ATOM 592 O ASP A 40 81.391 -4.500 -7.838 1.00 0.00 O ATOM 593 CB ASP A 40 84.474 -4.017 -6.551 1.00 0.00 C ATOM 594 CG ASP A 40 83.872 -5.149 -5.719 1.00 0.00 C ATOM 595 OD1 ASP A 40 82.671 -5.352 -5.804 1.00 0.00 O1- ATOM 596 OD2 ASP A 40 84.623 -5.800 -5.013 1.00 0.00 O ATOM 0 H ASP A 40 82.624 -2.755 -5.442 1.00 0.00 H new ATOM 0 HA ASP A 40 83.893 -2.533 -7.935 1.00 0.00 H new ATOM 0 HB2 ASP A 40 85.204 -4.422 -7.252 1.00 0.00 H new ATOM 0 HB3 ASP A 40 85.007 -3.323 -5.900 1.00 0.00 H new ATOM 601 N ASP A 41 83.110 -4.697 -9.228 1.00 0.00 N ATOM 602 CA ASP A 41 82.384 -5.583 -10.120 1.00 0.00 C ATOM 603 C ASP A 41 82.090 -6.934 -9.461 1.00 0.00 C ATOM 604 O ASP A 41 82.103 -7.970 -10.125 1.00 0.00 O ATOM 605 CB ASP A 41 83.193 -5.779 -11.405 1.00 0.00 C ATOM 606 CG ASP A 41 84.528 -6.453 -11.097 1.00 0.00 C ATOM 607 OD1 ASP A 41 84.642 -7.046 -10.038 1.00 0.00 O ATOM 608 OD2 ASP A 41 85.421 -6.357 -11.924 1.00 0.00 O1- ATOM 0 H ASP A 41 84.065 -4.486 -9.517 1.00 0.00 H new ATOM 0 HA ASP A 41 81.424 -5.124 -10.356 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.626 -6.387 -12.110 1.00 0.00 H new ATOM 0 HB3 ASP A 41 83.367 -4.815 -11.883 1.00 0.00 H new ATOM 613 N GLU A 42 81.784 -6.912 -8.151 1.00 0.00 N ATOM 614 CA GLU A 42 81.440 -8.140 -7.416 1.00 0.00 C ATOM 615 C GLU A 42 80.202 -7.863 -6.550 1.00 0.00 C ATOM 616 O GLU A 42 80.088 -6.777 -5.989 1.00 0.00 O ATOM 617 CB GLU A 42 82.610 -8.572 -6.509 1.00 0.00 C ATOM 618 CG GLU A 42 83.745 -9.138 -7.369 1.00 0.00 C ATOM 619 CD GLU A 42 84.927 -9.536 -6.487 1.00 0.00 C ATOM 620 OE1 GLU A 42 85.249 -8.785 -5.581 1.00 0.00 O ATOM 621 OE2 GLU A 42 85.493 -10.589 -6.734 1.00 0.00 O1- ATOM 0 H GLU A 42 81.768 -6.064 -7.585 1.00 0.00 H new ATOM 0 HA GLU A 42 81.237 -8.941 -8.127 1.00 0.00 H new ATOM 0 HB2 GLU A 42 82.968 -7.721 -5.930 1.00 0.00 H new ATOM 0 HB3 GLU A 42 82.272 -9.323 -5.795 1.00 0.00 H new ATOM 0 HG2 GLU A 42 83.391 -10.004 -7.927 1.00 0.00 H new ATOM 0 HG3 GLU A 42 84.062 -8.395 -8.101 1.00 0.00 H new ATOM 628 N PRO A 43 79.271 -8.787 -6.413 1.00 0.00 N ATOM 629 CA PRO A 43 78.072 -8.523 -5.576 1.00 0.00 C ATOM 630 C PRO A 43 78.503 -8.115 -4.168 1.00 0.00 C ATOM 631 O PRO A 43 79.416 -8.713 -3.597 1.00 0.00 O ATOM 632 CB PRO A 43 77.269 -9.846 -5.568 1.00 0.00 C ATOM 633 CG PRO A 43 78.017 -10.830 -6.439 1.00 0.00 C ATOM 634 CD PRO A 43 79.262 -10.128 -7.021 1.00 0.00 C ATOM 0 HA PRO A 43 77.464 -7.706 -5.964 1.00 0.00 H new ATOM 0 HB2 PRO A 43 77.170 -10.229 -4.552 1.00 0.00 H new ATOM 0 HB3 PRO A 43 76.260 -9.686 -5.948 1.00 0.00 H new ATOM 0 HG2 PRO A 43 78.313 -11.702 -5.856 1.00 0.00 H new ATOM 0 HG3 PRO A 43 77.374 -11.188 -7.243 1.00 0.00 H new ATOM 0 HD2 PRO A 43 80.172 -10.676 -6.778 1.00 0.00 H new ATOM 0 HD3 PRO A 43 79.207 -10.067 -8.108 1.00 0.00 H new ATOM 642 N VAL A 44 77.885 -7.066 -3.633 1.00 0.00 N ATOM 643 CA VAL A 44 78.269 -6.569 -2.316 1.00 0.00 C ATOM 644 C VAL A 44 77.664 -7.394 -1.182 1.00 0.00 C ATOM 645 O VAL A 44 76.637 -7.047 -0.605 1.00 0.00 O ATOM 646 CB VAL A 44 77.856 -5.098 -2.182 1.00 0.00 C ATOM 647 CG1 VAL A 44 76.352 -4.926 -2.446 1.00 0.00 C ATOM 648 CG2 VAL A 44 78.198 -4.586 -0.778 1.00 0.00 C ATOM 0 H VAL A 44 77.128 -6.551 -4.082 1.00 0.00 H new ATOM 0 HA VAL A 44 79.352 -6.660 -2.231 1.00 0.00 H new ATOM 0 HB VAL A 44 78.405 -4.518 -2.924 1.00 0.00 H new ATOM 0 HG11 VAL A 44 76.083 -3.875 -2.345 1.00 0.00 H new ATOM 0 HG12 VAL A 44 76.119 -5.265 -3.455 1.00 0.00 H new ATOM 0 HG13 VAL A 44 75.786 -5.516 -1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 44 77.902 -3.541 -0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 44 77.664 -5.178 -0.035 1.00 0.00 H new ATOM 0 HG23 VAL A 44 79.271 -4.675 -0.610 1.00 0.00 H new ATOM 658 N ARG A 45 78.344 -8.475 -0.843 1.00 0.00 N ATOM 659 CA ARG A 45 77.924 -9.334 0.255 1.00 0.00 C ATOM 660 C ARG A 45 79.159 -9.934 0.891 1.00 0.00 C ATOM 661 O ARG A 45 79.715 -9.371 1.815 1.00 0.00 O ATOM 662 CB ARG A 45 76.977 -10.430 -0.223 1.00 0.00 C ATOM 663 CG ARG A 45 76.560 -11.278 0.978 1.00 0.00 C ATOM 664 CD ARG A 45 75.430 -12.213 0.572 1.00 0.00 C ATOM 665 NE ARG A 45 75.916 -13.203 -0.385 1.00 0.00 N ATOM 666 CZ ARG A 45 75.087 -14.063 -0.972 1.00 0.00 C ATOM 667 NH1 ARG A 45 73.885 -14.243 -0.492 1.00 0.00 N1+ ATOM 668 NH2 ARG A 45 75.473 -14.728 -2.025 1.00 0.00 N ATOM 0 H ARG A 45 79.195 -8.782 -1.314 1.00 0.00 H new ATOM 0 HA ARG A 45 77.377 -8.740 0.987 1.00 0.00 H new ATOM 0 HB2 ARG A 45 76.100 -9.990 -0.698 1.00 0.00 H new ATOM 0 HB3 ARG A 45 77.467 -11.052 -0.972 1.00 0.00 H new ATOM 0 HG2 ARG A 45 77.410 -11.855 1.342 1.00 0.00 H new ATOM 0 HG3 ARG A 45 76.237 -10.634 1.796 1.00 0.00 H new ATOM 0 HD2 ARG A 45 75.028 -12.714 1.453 1.00 0.00 H new ATOM 0 HD3 ARG A 45 74.614 -11.640 0.131 1.00 0.00 H new ATOM 0 HE ARG A 45 76.911 -13.236 -0.608 1.00 0.00 H new ATOM 0 HH11 ARG A 45 73.582 -13.724 0.332 1.00 0.00 H new ATOM 0 HH12 ARG A 45 73.250 -14.902 -0.942 1.00 0.00 H new ATOM 0 HH21 ARG A 45 76.411 -14.589 -2.400 1.00 0.00 H new ATOM 0 HH22 ARG A 45 74.837 -15.387 -2.474 1.00 0.00 H new ATOM 682 N THR A 46 79.604 -11.059 0.352 1.00 0.00 N ATOM 683 CA THR A 46 80.813 -11.716 0.841 1.00 0.00 C ATOM 684 C THR A 46 80.688 -12.122 2.316 1.00 0.00 C ATOM 685 O THR A 46 79.679 -12.707 2.713 1.00 0.00 O ATOM 686 CB THR A 46 82.013 -10.783 0.621 1.00 0.00 C ATOM 687 OG1 THR A 46 82.122 -9.888 1.716 1.00 0.00 O ATOM 688 CG2 THR A 46 81.819 -9.985 -0.678 1.00 0.00 C ATOM 0 H THR A 46 79.148 -11.538 -0.424 1.00 0.00 H new ATOM 0 HA THR A 46 80.962 -12.638 0.279 1.00 0.00 H new ATOM 0 HB THR A 46 82.923 -11.378 0.544 1.00 0.00 H new ATOM 0 HG1 THR A 46 81.240 -9.762 2.124 1.00 0.00 H new ATOM 0 HG21 THR A 46 82.673 -9.324 -0.830 1.00 0.00 H new ATOM 0 HG22 THR A 46 81.738 -10.673 -1.519 1.00 0.00 H new ATOM 0 HG23 THR A 46 80.908 -9.390 -0.607 1.00 0.00 H new ATOM 696 N SER A 47 81.732 -11.864 3.124 1.00 0.00 N ATOM 697 CA SER A 47 81.725 -12.271 4.545 1.00 0.00 C ATOM 698 C SER A 47 82.236 -11.163 5.480 1.00 0.00 C ATOM 699 O SER A 47 81.989 -9.987 5.268 1.00 0.00 O ATOM 700 CB SER A 47 82.608 -13.507 4.706 1.00 0.00 C ATOM 701 OG SER A 47 82.416 -14.064 6.000 1.00 0.00 O ATOM 0 H SER A 47 82.580 -11.383 2.826 1.00 0.00 H new ATOM 0 HA SER A 47 80.693 -12.482 4.824 1.00 0.00 H new ATOM 0 HB2 SER A 47 82.362 -14.244 3.941 1.00 0.00 H new ATOM 0 HB3 SER A 47 83.655 -13.239 4.566 1.00 0.00 H new ATOM 0 HG SER A 47 82.982 -14.858 6.102 1.00 0.00 H new ATOM 707 N GLU A 48 82.940 -11.549 6.539 1.00 0.00 N ATOM 708 CA GLU A 48 83.451 -10.564 7.495 1.00 0.00 C ATOM 709 C GLU A 48 84.091 -9.379 6.760 1.00 0.00 C ATOM 710 O GLU A 48 83.765 -8.223 7.025 1.00 0.00 O ATOM 711 CB GLU A 48 84.481 -11.230 8.418 1.00 0.00 C ATOM 712 CG GLU A 48 83.794 -12.312 9.261 1.00 0.00 C ATOM 713 CD GLU A 48 82.812 -11.681 10.245 1.00 0.00 C ATOM 714 OE1 GLU A 48 82.993 -10.520 10.576 1.00 0.00 O ATOM 715 OE2 GLU A 48 81.880 -12.364 10.641 1.00 0.00 O1- ATOM 0 H GLU A 48 83.169 -12.519 6.758 1.00 0.00 H new ATOM 0 HA GLU A 48 82.620 -10.188 8.092 1.00 0.00 H new ATOM 0 HB2 GLU A 48 85.283 -11.671 7.826 1.00 0.00 H new ATOM 0 HB3 GLU A 48 84.938 -10.484 9.068 1.00 0.00 H new ATOM 0 HG2 GLU A 48 83.267 -13.009 8.609 1.00 0.00 H new ATOM 0 HG3 GLU A 48 84.543 -12.888 9.805 1.00 0.00 H new ATOM 722 N ASN A 49 85.001 -9.684 5.848 1.00 0.00 N ATOM 723 CA ASN A 49 85.695 -8.646 5.077 1.00 0.00 C ATOM 724 C ASN A 49 84.720 -7.821 4.226 1.00 0.00 C ATOM 725 O ASN A 49 85.143 -6.964 3.450 1.00 0.00 O ATOM 726 CB ASN A 49 86.739 -9.288 4.162 1.00 0.00 C ATOM 727 CG ASN A 49 86.053 -10.173 3.127 1.00 0.00 C ATOM 728 OD1 ASN A 49 84.833 -10.338 3.161 1.00 0.00 O ATOM 729 ND2 ASN A 49 86.766 -10.750 2.200 1.00 0.00 N ATOM 0 H ASN A 49 85.281 -10.638 5.619 1.00 0.00 H new ATOM 0 HA ASN A 49 86.178 -7.977 5.789 1.00 0.00 H new ATOM 0 HB2 ASN A 49 87.321 -8.514 3.662 1.00 0.00 H new ATOM 0 HB3 ASN A 49 87.437 -9.880 4.753 1.00 0.00 H new ATOM 0 HD21 ASN A 49 86.313 -11.339 1.501 1.00 0.00 H new ATOM 0 HD22 ASN A 49 87.776 -10.612 2.174 1.00 0.00 H new ATOM 736 N ALA A 50 83.420 -8.076 4.370 1.00 0.00 N ATOM 737 CA ALA A 50 82.419 -7.332 3.601 1.00 0.00 C ATOM 738 C ALA A 50 81.041 -7.975 3.764 1.00 0.00 C ATOM 739 O ALA A 50 80.900 -9.176 3.595 1.00 0.00 O ATOM 740 CB ALA A 50 82.823 -7.298 2.109 1.00 0.00 C ATOM 0 H ALA A 50 83.038 -8.780 5.001 1.00 0.00 H new ATOM 0 HA ALA A 50 82.370 -6.310 3.977 1.00 0.00 H new ATOM 0 HB1 ALA A 50 82.075 -6.744 1.542 1.00 0.00 H new ATOM 0 HB2 ALA A 50 83.792 -6.810 2.006 1.00 0.00 H new ATOM 0 HB3 ALA A 50 82.887 -8.317 1.726 1.00 0.00 H new ATOM 746 N GLU A 51 80.026 -7.162 4.077 1.00 0.00 N ATOM 747 CA GLU A 51 78.661 -7.681 4.246 1.00 0.00 C ATOM 748 C GLU A 51 77.695 -6.534 4.537 1.00 0.00 C ATOM 749 O GLU A 51 78.023 -5.636 5.318 1.00 0.00 O ATOM 750 CB GLU A 51 78.626 -8.677 5.417 1.00 0.00 C ATOM 751 CG GLU A 51 77.242 -9.335 5.530 1.00 0.00 C ATOM 752 CD GLU A 51 77.006 -10.281 4.360 1.00 0.00 C ATOM 753 OE1 GLU A 51 77.977 -10.672 3.734 1.00 0.00 O ATOM 754 OE2 GLU A 51 75.857 -10.608 4.112 1.00 0.00 O1- ATOM 0 H GLU A 51 80.119 -6.156 4.217 1.00 0.00 H new ATOM 0 HA GLU A 51 78.361 -8.182 3.326 1.00 0.00 H new ATOM 0 HB2 GLU A 51 79.388 -9.443 5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 51 78.866 -8.161 6.347 1.00 0.00 H new ATOM 0 HG2 GLU A 51 77.169 -9.883 6.469 1.00 0.00 H new ATOM 0 HG3 GLU A 51 76.468 -8.568 5.547 1.00 0.00 H new ATOM 761 N VAL A 52 76.507 -6.538 3.911 1.00 0.00 N ATOM 762 CA VAL A 52 75.533 -5.469 4.138 1.00 0.00 C ATOM 763 C VAL A 52 74.593 -5.821 5.288 1.00 0.00 C ATOM 764 O VAL A 52 74.149 -6.960 5.432 1.00 0.00 O ATOM 765 CB VAL A 52 74.687 -5.238 2.873 1.00 0.00 C ATOM 766 CG1 VAL A 52 73.866 -3.953 3.024 1.00 0.00 C ATOM 767 CG2 VAL A 52 75.593 -5.099 1.648 1.00 0.00 C ATOM 0 H VAL A 52 76.205 -7.259 3.255 1.00 0.00 H new ATOM 0 HA VAL A 52 76.090 -4.566 4.387 1.00 0.00 H new ATOM 0 HB VAL A 52 74.023 -6.092 2.742 1.00 0.00 H new ATOM 0 HG11 VAL A 52 73.269 -3.795 2.126 1.00 0.00 H new ATOM 0 HG12 VAL A 52 73.206 -4.042 3.887 1.00 0.00 H new ATOM 0 HG13 VAL A 52 74.538 -3.107 3.167 1.00 0.00 H new ATOM 0 HG21 VAL A 52 74.982 -4.936 0.760 1.00 0.00 H new ATOM 0 HG22 VAL A 52 76.265 -4.252 1.787 1.00 0.00 H new ATOM 0 HG23 VAL A 52 76.179 -6.010 1.523 1.00 0.00 H new ATOM 777 N VAL A 53 74.267 -4.803 6.071 1.00 0.00 N ATOM 778 CA VAL A 53 73.344 -4.925 7.197 1.00 0.00 C ATOM 779 C VAL A 53 72.321 -3.792 7.084 1.00 0.00 C ATOM 780 O VAL A 53 72.691 -2.660 6.773 1.00 0.00 O ATOM 781 CB VAL A 53 74.117 -4.835 8.517 1.00 0.00 C ATOM 782 CG1 VAL A 53 74.909 -6.129 8.739 1.00 0.00 C ATOM 783 CG2 VAL A 53 75.087 -3.656 8.453 1.00 0.00 C ATOM 0 H VAL A 53 74.637 -3.861 5.944 1.00 0.00 H new ATOM 0 HA VAL A 53 72.833 -5.888 7.179 1.00 0.00 H new ATOM 0 HB VAL A 53 73.416 -4.693 9.339 1.00 0.00 H new ATOM 0 HG11 VAL A 53 75.458 -6.063 9.678 1.00 0.00 H new ATOM 0 HG12 VAL A 53 74.222 -6.974 8.779 1.00 0.00 H new ATOM 0 HG13 VAL A 53 75.611 -6.271 7.918 1.00 0.00 H new ATOM 0 HG21 VAL A 53 75.639 -3.588 9.390 1.00 0.00 H new ATOM 0 HG22 VAL A 53 75.786 -3.804 7.630 1.00 0.00 H new ATOM 0 HG23 VAL A 53 74.529 -2.734 8.293 1.00 0.00 H new ATOM 793 N PHE A 54 71.036 -4.092 7.299 1.00 0.00 N ATOM 794 CA PHE A 54 69.981 -3.065 7.172 1.00 0.00 C ATOM 795 C PHE A 54 69.175 -2.960 8.478 1.00 0.00 C ATOM 796 O PHE A 54 68.560 -3.939 8.899 1.00 0.00 O ATOM 797 CB PHE A 54 69.046 -3.495 6.013 1.00 0.00 C ATOM 798 CG PHE A 54 68.435 -2.325 5.245 1.00 0.00 C ATOM 799 CD1 PHE A 54 68.377 -1.018 5.771 1.00 0.00 C ATOM 800 CD2 PHE A 54 67.924 -2.570 3.958 1.00 0.00 C ATOM 801 CE1 PHE A 54 67.813 0.019 5.010 1.00 0.00 C ATOM 802 CE2 PHE A 54 67.355 -1.532 3.212 1.00 0.00 C ATOM 803 CZ PHE A 54 67.301 -0.242 3.738 1.00 0.00 C ATOM 0 H PHE A 54 70.699 -5.019 7.558 1.00 0.00 H new ATOM 0 HA PHE A 54 70.426 -2.091 6.970 1.00 0.00 H new ATOM 0 HB2 PHE A 54 69.608 -4.119 5.318 1.00 0.00 H new ATOM 0 HB3 PHE A 54 68.243 -4.111 6.417 1.00 0.00 H new ATOM 0 HD1 PHE A 54 68.766 -0.815 6.758 1.00 0.00 H new ATOM 0 HD2 PHE A 54 67.971 -3.566 3.543 1.00 0.00 H new ATOM 0 HE1 PHE A 54 67.775 1.021 5.410 1.00 0.00 H new ATOM 0 HE2 PHE A 54 66.957 -1.730 2.228 1.00 0.00 H new ATOM 0 HZ PHE A 54 66.862 0.557 3.160 1.00 0.00 H new ATOM 813 N PHE A 55 69.212 -1.796 9.145 1.00 0.00 N ATOM 814 CA PHE A 55 68.506 -1.623 10.430 1.00 0.00 C ATOM 815 C PHE A 55 67.343 -0.628 10.334 1.00 0.00 C ATOM 816 O PHE A 55 67.173 0.065 9.330 1.00 0.00 O ATOM 817 CB PHE A 55 69.504 -1.135 11.483 1.00 0.00 C ATOM 818 CG PHE A 55 70.568 -2.184 11.692 1.00 0.00 C ATOM 819 CD1 PHE A 55 70.283 -3.334 12.439 1.00 0.00 C ATOM 820 CD2 PHE A 55 71.843 -2.009 11.132 1.00 0.00 C ATOM 821 CE1 PHE A 55 71.271 -4.307 12.626 1.00 0.00 C ATOM 822 CE2 PHE A 55 72.828 -2.984 11.319 1.00 0.00 C ATOM 823 CZ PHE A 55 72.543 -4.130 12.065 1.00 0.00 C ATOM 0 H PHE A 55 69.715 -0.969 8.824 1.00 0.00 H new ATOM 0 HA PHE A 55 68.084 -2.589 10.708 1.00 0.00 H new ATOM 0 HB2 PHE A 55 69.960 -0.199 11.161 1.00 0.00 H new ATOM 0 HB3 PHE A 55 68.989 -0.933 12.422 1.00 0.00 H new ATOM 0 HD1 PHE A 55 69.302 -3.470 12.870 1.00 0.00 H new ATOM 0 HD2 PHE A 55 72.063 -1.122 10.557 1.00 0.00 H new ATOM 0 HE1 PHE A 55 71.053 -5.194 13.202 1.00 0.00 H new ATOM 0 HE2 PHE A 55 73.809 -2.851 10.887 1.00 0.00 H new ATOM 0 HZ PHE A 55 73.305 -4.882 12.210 1.00 0.00 H new ATOM 833 N GLU A 56 66.547 -0.585 11.407 1.00 0.00 N ATOM 834 CA GLU A 56 65.379 0.301 11.505 1.00 0.00 C ATOM 835 C GLU A 56 64.311 -0.028 10.458 1.00 0.00 C ATOM 836 O GLU A 56 63.641 0.867 9.947 1.00 0.00 O ATOM 837 CB GLU A 56 65.782 1.781 11.411 1.00 0.00 C ATOM 838 CG GLU A 56 66.463 2.261 12.713 1.00 0.00 C ATOM 839 CD GLU A 56 67.946 1.923 12.701 1.00 0.00 C ATOM 840 OE1 GLU A 56 68.372 1.273 11.770 1.00 0.00 O ATOM 841 OE2 GLU A 56 68.635 2.329 13.625 1.00 0.00 O1- ATOM 0 H GLU A 56 66.693 -1.164 12.234 1.00 0.00 H new ATOM 0 HA GLU A 56 64.943 0.125 12.488 1.00 0.00 H new ATOM 0 HB2 GLU A 56 66.460 1.923 10.570 1.00 0.00 H new ATOM 0 HB3 GLU A 56 64.899 2.389 11.214 1.00 0.00 H new ATOM 0 HG2 GLU A 56 66.331 3.337 12.823 1.00 0.00 H new ATOM 0 HG3 GLU A 56 65.985 1.792 13.573 1.00 0.00 H new ATOM 848 N ASN A 57 64.133 -1.316 10.176 1.00 0.00 N ATOM 849 CA ASN A 57 63.113 -1.762 9.222 1.00 0.00 C ATOM 850 C ASN A 57 63.349 -1.209 7.826 1.00 0.00 C ATOM 851 O ASN A 57 62.421 -0.731 7.175 1.00 0.00 O ATOM 852 CB ASN A 57 61.730 -1.330 9.704 1.00 0.00 C ATOM 853 CG ASN A 57 60.651 -2.033 8.892 1.00 0.00 C ATOM 854 OD1 ASN A 57 60.919 -2.542 7.803 1.00 0.00 O ATOM 855 ND2 ASN A 57 59.436 -2.088 9.363 1.00 0.00 N ATOM 0 H ASN A 57 64.679 -2.070 10.592 1.00 0.00 H new ATOM 0 HA ASN A 57 63.176 -2.849 9.167 1.00 0.00 H new ATOM 0 HB2 ASN A 57 61.614 -1.568 10.761 1.00 0.00 H new ATOM 0 HB3 ASN A 57 61.623 -0.250 9.607 1.00 0.00 H new ATOM 0 HD21 ASN A 57 58.703 -2.554 8.829 1.00 0.00 H new ATOM 0 HD22 ASN A 57 59.219 -1.665 10.265 1.00 0.00 H new ATOM 862 N GLY A 58 64.580 -1.315 7.359 1.00 0.00 N ATOM 863 CA GLY A 58 64.913 -0.862 6.020 1.00 0.00 C ATOM 864 C GLY A 58 65.054 0.663 5.937 1.00 0.00 C ATOM 865 O GLY A 58 65.030 1.227 4.842 1.00 0.00 O ATOM 0 H GLY A 58 65.362 -1.708 7.883 1.00 0.00 H new ATOM 0 HA2 GLY A 58 65.846 -1.328 5.703 1.00 0.00 H new ATOM 0 HA3 GLY A 58 64.140 -1.191 5.325 1.00 0.00 H new ATOM 869 N LEU A 59 65.169 1.338 7.087 1.00 0.00 N ATOM 870 CA LEU A 59 65.275 2.808 7.088 1.00 0.00 C ATOM 871 C LEU A 59 66.724 3.318 7.012 1.00 0.00 C ATOM 872 O LEU A 59 66.943 4.500 6.720 1.00 0.00 O ATOM 873 CB LEU A 59 64.599 3.386 8.347 1.00 0.00 C ATOM 874 CG LEU A 59 64.128 4.836 8.080 1.00 0.00 C ATOM 875 CD1 LEU A 59 62.724 4.824 7.463 1.00 0.00 C ATOM 876 CD2 LEU A 59 64.096 5.634 9.393 1.00 0.00 C ATOM 0 H LEU A 59 65.191 0.905 8.010 1.00 0.00 H new ATOM 0 HA LEU A 59 64.767 3.150 6.186 1.00 0.00 H new ATOM 0 HB2 LEU A 59 63.749 2.766 8.630 1.00 0.00 H new ATOM 0 HB3 LEU A 59 65.297 3.371 9.184 1.00 0.00 H new ATOM 0 HG LEU A 59 64.827 5.307 7.389 1.00 0.00 H new ATOM 0 HD11 LEU A 59 62.399 5.848 7.278 1.00 0.00 H new ATOM 0 HD12 LEU A 59 62.745 4.274 6.522 1.00 0.00 H new ATOM 0 HD13 LEU A 59 62.029 4.341 8.150 1.00 0.00 H new ATOM 0 HD21 LEU A 59 63.763 6.652 9.192 1.00 0.00 H new ATOM 0 HD22 LEU A 59 63.407 5.158 10.091 1.00 0.00 H new ATOM 0 HD23 LEU A 59 65.095 5.658 9.829 1.00 0.00 H new ATOM 888 N ARG A 60 67.714 2.449 7.252 1.00 0.00 N ATOM 889 CA ARG A 60 69.124 2.877 7.183 1.00 0.00 C ATOM 890 C ARG A 60 70.008 1.835 6.498 1.00 0.00 C ATOM 891 O ARG A 60 70.355 0.812 7.088 1.00 0.00 O ATOM 892 CB ARG A 60 69.674 3.153 8.587 1.00 0.00 C ATOM 893 CG ARG A 60 68.979 4.376 9.192 1.00 0.00 C ATOM 894 CD ARG A 60 69.495 4.599 10.614 1.00 0.00 C ATOM 895 NE ARG A 60 70.928 4.874 10.597 1.00 0.00 N ATOM 896 CZ ARG A 60 71.405 6.104 10.414 1.00 0.00 C ATOM 897 NH1 ARG A 60 70.609 7.139 10.457 1.00 0.00 N ATOM 898 NH2 ARG A 60 72.679 6.273 10.192 1.00 0.00 N1+ ATOM 0 H ARG A 60 67.575 1.467 7.491 1.00 0.00 H new ATOM 0 HA ARG A 60 69.146 3.791 6.589 1.00 0.00 H new ATOM 0 HB2 ARG A 60 69.518 2.283 9.225 1.00 0.00 H new ATOM 0 HB3 ARG A 60 70.750 3.323 8.538 1.00 0.00 H new ATOM 0 HG2 ARG A 60 69.172 5.258 8.581 1.00 0.00 H new ATOM 0 HG3 ARG A 60 67.899 4.226 9.204 1.00 0.00 H new ATOM 0 HD2 ARG A 60 68.964 5.432 11.074 1.00 0.00 H new ATOM 0 HD3 ARG A 60 69.294 3.718 11.223 1.00 0.00 H new ATOM 0 HE ARG A 60 71.582 4.103 10.729 1.00 0.00 H new ATOM 0 HH11 ARG A 60 69.613 7.009 10.632 1.00 0.00 H new ATOM 0 HH12 ARG A 60 70.984 8.077 10.316 1.00 0.00 H new ATOM 0 HH21 ARG A 60 73.302 5.466 10.159 1.00 0.00 H new ATOM 0 HH22 ARG A 60 73.052 7.212 10.051 1.00 0.00 H new ATOM 912 N HIS A 61 70.397 2.132 5.259 1.00 0.00 N ATOM 913 CA HIS A 61 71.271 1.245 4.491 1.00 0.00 C ATOM 914 C HIS A 61 72.717 1.428 4.951 1.00 0.00 C ATOM 915 O HIS A 61 73.318 2.458 4.685 1.00 0.00 O ATOM 916 CB HIS A 61 71.176 1.607 2.991 1.00 0.00 C ATOM 917 CG HIS A 61 70.173 0.737 2.285 1.00 0.00 C ATOM 918 ND1 HIS A 61 69.041 1.257 1.677 1.00 0.00 N ATOM 919 CD2 HIS A 61 70.148 -0.610 2.041 1.00 0.00 C ATOM 920 CE1 HIS A 61 68.394 0.231 1.093 1.00 0.00 C ATOM 921 NE2 HIS A 61 69.027 -0.928 1.284 1.00 0.00 N ATOM 0 H HIS A 61 70.121 2.980 4.765 1.00 0.00 H new ATOM 0 HA HIS A 61 70.962 0.211 4.646 1.00 0.00 H new ATOM 0 HB2 HIS A 61 70.893 2.654 2.884 1.00 0.00 H new ATOM 0 HB3 HIS A 61 72.154 1.492 2.524 1.00 0.00 H new ATOM 0 HD2 HIS A 61 70.887 -1.318 2.385 1.00 0.00 H new ATOM 0 HE1 HIS A 61 67.474 0.334 0.537 1.00 0.00 H new ATOM 0 HE2 HIS A 61 68.748 -1.849 0.947 1.00 0.00 H new ATOM 929 N LEU A 62 73.271 0.442 5.648 1.00 0.00 N ATOM 930 CA LEU A 62 74.650 0.531 6.141 1.00 0.00 C ATOM 931 C LEU A 62 75.493 -0.617 5.588 1.00 0.00 C ATOM 932 O LEU A 62 75.107 -1.778 5.675 1.00 0.00 O ATOM 933 CB LEU A 62 74.621 0.495 7.675 1.00 0.00 C ATOM 934 CG LEU A 62 76.054 0.651 8.255 1.00 0.00 C ATOM 935 CD1 LEU A 62 76.020 1.516 9.524 1.00 0.00 C ATOM 936 CD2 LEU A 62 76.626 -0.730 8.619 1.00 0.00 C ATOM 0 H LEU A 62 72.793 -0.427 5.886 1.00 0.00 H new ATOM 0 HA LEU A 62 75.104 1.463 5.805 1.00 0.00 H new ATOM 0 HB2 LEU A 62 73.982 1.294 8.050 1.00 0.00 H new ATOM 0 HB3 LEU A 62 74.187 -0.446 8.014 1.00 0.00 H new ATOM 0 HG LEU A 62 76.681 1.127 7.501 1.00 0.00 H new ATOM 0 HD11 LEU A 62 77.030 1.618 9.922 1.00 0.00 H new ATOM 0 HD12 LEU A 62 75.624 2.502 9.282 1.00 0.00 H new ATOM 0 HD13 LEU A 62 75.382 1.042 10.270 1.00 0.00 H new ATOM 0 HD21 LEU A 62 77.631 -0.612 9.025 1.00 0.00 H new ATOM 0 HD22 LEU A 62 75.987 -1.204 9.364 1.00 0.00 H new ATOM 0 HD23 LEU A 62 76.666 -1.354 7.726 1.00 0.00 H new ATOM 948 N LEU A 63 76.644 -0.273 5.007 1.00 0.00 N ATOM 949 CA LEU A 63 77.557 -1.267 4.419 1.00 0.00 C ATOM 950 C LEU A 63 78.913 -1.221 5.125 1.00 0.00 C ATOM 951 O LEU A 63 79.600 -0.201 5.080 1.00 0.00 O ATOM 952 CB LEU A 63 77.704 -0.953 2.909 1.00 0.00 C ATOM 953 CG LEU A 63 78.984 -1.559 2.285 1.00 0.00 C ATOM 954 CD1 LEU A 63 78.970 -3.087 2.359 1.00 0.00 C ATOM 955 CD2 LEU A 63 79.056 -1.147 0.815 1.00 0.00 C ATOM 0 H LEU A 63 76.971 0.690 4.929 1.00 0.00 H new ATOM 0 HA LEU A 63 77.157 -2.273 4.545 1.00 0.00 H new ATOM 0 HB2 LEU A 63 76.832 -1.335 2.378 1.00 0.00 H new ATOM 0 HB3 LEU A 63 77.715 0.128 2.768 1.00 0.00 H new ATOM 0 HG LEU A 63 79.845 -1.190 2.842 1.00 0.00 H new ATOM 0 HD11 LEU A 63 79.883 -3.481 1.912 1.00 0.00 H new ATOM 0 HD12 LEU A 63 78.911 -3.400 3.401 1.00 0.00 H new ATOM 0 HD13 LEU A 63 78.106 -3.470 1.816 1.00 0.00 H new ATOM 0 HD21 LEU A 63 79.954 -1.568 0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 63 78.177 -1.519 0.289 1.00 0.00 H new ATOM 0 HD23 LEU A 63 79.089 -0.060 0.743 1.00 0.00 H new ATOM 967 N LEU A 64 79.305 -2.319 5.784 1.00 0.00 N ATOM 968 CA LEU A 64 80.590 -2.351 6.489 1.00 0.00 C ATOM 969 C LEU A 64 81.676 -2.982 5.613 1.00 0.00 C ATOM 970 O LEU A 64 81.454 -3.988 4.933 1.00 0.00 O ATOM 971 CB LEU A 64 80.454 -3.127 7.816 1.00 0.00 C ATOM 972 CG LEU A 64 80.374 -4.656 7.563 1.00 0.00 C ATOM 973 CD1 LEU A 64 81.740 -5.318 7.807 1.00 0.00 C ATOM 974 CD2 LEU A 64 79.348 -5.292 8.511 1.00 0.00 C ATOM 0 H LEU A 64 78.762 -3.181 5.843 1.00 0.00 H new ATOM 0 HA LEU A 64 80.883 -1.325 6.711 1.00 0.00 H new ATOM 0 HB2 LEU A 64 81.306 -2.906 8.459 1.00 0.00 H new ATOM 0 HB3 LEU A 64 79.560 -2.795 8.345 1.00 0.00 H new ATOM 0 HG LEU A 64 80.074 -4.811 6.527 1.00 0.00 H new ATOM 0 HD11 LEU A 64 81.663 -6.390 7.624 1.00 0.00 H new ATOM 0 HD12 LEU A 64 82.479 -4.887 7.131 1.00 0.00 H new ATOM 0 HD13 LEU A 64 82.048 -5.147 8.838 1.00 0.00 H new ATOM 0 HD21 LEU A 64 79.298 -6.365 8.326 1.00 0.00 H new ATOM 0 HD22 LEU A 64 79.648 -5.115 9.544 1.00 0.00 H new ATOM 0 HD23 LEU A 64 78.368 -4.848 8.337 1.00 0.00 H new ATOM 986 N LEU A 65 82.852 -2.370 5.648 1.00 0.00 N ATOM 987 CA LEU A 65 84.010 -2.841 4.880 1.00 0.00 C ATOM 988 C LEU A 65 85.282 -2.608 5.690 1.00 0.00 C ATOM 989 O LEU A 65 85.574 -1.466 6.024 1.00 0.00 O ATOM 990 CB LEU A 65 84.156 -2.035 3.585 1.00 0.00 C ATOM 991 CG LEU A 65 82.952 -2.211 2.657 1.00 0.00 C ATOM 992 CD1 LEU A 65 83.091 -1.217 1.498 1.00 0.00 C ATOM 993 CD2 LEU A 65 82.911 -3.639 2.099 1.00 0.00 C ATOM 0 H LEU A 65 83.036 -1.536 6.205 1.00 0.00 H new ATOM 0 HA LEU A 65 83.862 -3.898 4.659 1.00 0.00 H new ATOM 0 HB2 LEU A 65 84.275 -0.979 3.828 1.00 0.00 H new ATOM 0 HB3 LEU A 65 85.062 -2.346 3.065 1.00 0.00 H new ATOM 0 HG LEU A 65 82.032 -2.030 3.212 1.00 0.00 H new ATOM 0 HD11 LEU A 65 82.242 -1.325 0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 65 83.115 -0.201 1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 65 84.015 -1.418 0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 65 82.049 -3.748 1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 65 83.824 -3.836 1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 65 82.831 -4.349 2.922 1.00 0.00 H new ATOM 1005 N LYS A 66 86.012 -3.663 6.068 1.00 0.00 N ATOM 1006 CA LYS A 66 87.213 -3.495 6.895 1.00 0.00 C ATOM 1007 C LYS A 66 88.515 -3.659 6.088 1.00 0.00 C ATOM 1008 O LYS A 66 88.505 -3.743 4.859 1.00 0.00 O ATOM 1009 CB LYS A 66 87.172 -4.560 7.998 1.00 0.00 C ATOM 1010 CG LYS A 66 86.104 -4.192 9.030 1.00 0.00 C ATOM 1011 CD LYS A 66 85.807 -5.400 9.922 1.00 0.00 C ATOM 1012 CE LYS A 66 87.094 -5.904 10.578 1.00 0.00 C ATOM 1013 NZ LYS A 66 86.746 -6.753 11.752 1.00 0.00 N1+ ATOM 0 H LYS A 66 85.797 -4.629 5.819 1.00 0.00 H new ATOM 0 HA LYS A 66 87.213 -2.484 7.302 1.00 0.00 H new ATOM 0 HB2 LYS A 66 86.953 -5.537 7.566 1.00 0.00 H new ATOM 0 HB3 LYS A 66 88.147 -4.636 8.480 1.00 0.00 H new ATOM 0 HG2 LYS A 66 86.446 -3.355 9.638 1.00 0.00 H new ATOM 0 HG3 LYS A 66 85.194 -3.868 8.525 1.00 0.00 H new ATOM 0 HD2 LYS A 66 85.083 -5.125 10.689 1.00 0.00 H new ATOM 0 HD3 LYS A 66 85.357 -6.196 9.329 1.00 0.00 H new ATOM 0 HE2 LYS A 66 87.681 -6.477 9.861 1.00 0.00 H new ATOM 0 HE3 LYS A 66 87.710 -5.062 10.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 87.618 -7.098 12.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 86.202 -6.191 12.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 86.175 -7.563 11.437 1.00 0.00 H new ATOM 1027 N ASN A 67 89.624 -3.744 6.825 1.00 0.00 N ATOM 1028 CA ASN A 67 90.955 -3.945 6.236 1.00 0.00 C ATOM 1029 C ASN A 67 91.107 -3.162 4.941 1.00 0.00 C ATOM 1030 O ASN A 67 91.406 -3.735 3.897 1.00 0.00 O ATOM 1031 CB ASN A 67 91.176 -5.431 5.956 1.00 0.00 C ATOM 1032 CG ASN A 67 92.648 -5.701 5.654 1.00 0.00 C ATOM 1033 OD1 ASN A 67 92.962 -6.420 4.706 1.00 0.00 O ATOM 1034 ND2 ASN A 67 93.573 -5.176 6.409 1.00 0.00 N ATOM 0 H ASN A 67 89.628 -3.676 7.843 1.00 0.00 H new ATOM 0 HA ASN A 67 91.698 -3.585 6.948 1.00 0.00 H new ATOM 0 HB2 ASN A 67 90.860 -6.021 6.817 1.00 0.00 H new ATOM 0 HB3 ASN A 67 90.561 -5.744 5.112 1.00 0.00 H new ATOM 0 HD21 ASN A 67 94.557 -5.361 6.214 1.00 0.00 H new ATOM 0 HD22 ASN A 67 93.313 -4.580 7.195 1.00 0.00 H new ATOM 1041 N LEU A 68 90.849 -1.870 4.998 1.00 0.00 N ATOM 1042 CA LEU A 68 90.918 -1.058 3.792 1.00 0.00 C ATOM 1043 C LEU A 68 92.317 -1.077 3.178 1.00 0.00 C ATOM 1044 O LEU A 68 93.240 -0.459 3.689 1.00 0.00 O ATOM 1045 CB LEU A 68 90.513 0.390 4.121 1.00 0.00 C ATOM 1046 CG LEU A 68 88.979 0.554 4.165 1.00 0.00 C ATOM 1047 CD1 LEU A 68 88.403 0.636 2.743 1.00 0.00 C ATOM 1048 CD2 LEU A 68 88.325 -0.610 4.910 1.00 0.00 C ATOM 0 H LEU A 68 90.594 -1.365 5.847 1.00 0.00 H new ATOM 0 HA LEU A 68 90.228 -1.480 3.062 1.00 0.00 H new ATOM 0 HB2 LEU A 68 90.938 0.678 5.082 1.00 0.00 H new ATOM 0 HB3 LEU A 68 90.930 1.064 3.373 1.00 0.00 H new ATOM 0 HG LEU A 68 88.761 1.481 4.696 1.00 0.00 H new ATOM 0 HD11 LEU A 68 87.320 0.751 2.795 1.00 0.00 H new ATOM 0 HD12 LEU A 68 88.835 1.492 2.224 1.00 0.00 H new ATOM 0 HD13 LEU A 68 88.645 -0.277 2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 68 87.244 -0.470 4.927 1.00 0.00 H new ATOM 0 HD22 LEU A 68 88.562 -1.545 4.403 1.00 0.00 H new ATOM 0 HD23 LEU A 68 88.702 -0.646 5.932 1.00 0.00 H new ATOM 1060 N ARG A 69 92.449 -1.785 2.057 1.00 0.00 N ATOM 1061 CA ARG A 69 93.728 -1.882 1.345 1.00 0.00 C ATOM 1062 C ARG A 69 93.693 -0.990 0.106 1.00 0.00 C ATOM 1063 O ARG A 69 92.618 -0.672 -0.399 1.00 0.00 O ATOM 1064 CB ARG A 69 93.976 -3.351 0.908 1.00 0.00 C ATOM 1065 CG ARG A 69 94.900 -4.065 1.897 1.00 0.00 C ATOM 1066 CD ARG A 69 94.163 -4.235 3.218 1.00 0.00 C ATOM 1067 NE ARG A 69 95.017 -4.890 4.197 1.00 0.00 N ATOM 1068 CZ ARG A 69 96.237 -4.436 4.447 1.00 0.00 C ATOM 1069 NH1 ARG A 69 97.214 -4.711 3.626 1.00 0.00 N ATOM 1070 NH2 ARG A 69 96.463 -3.715 5.510 1.00 0.00 N1+ ATOM 0 H ARG A 69 91.686 -2.302 1.620 1.00 0.00 H new ATOM 0 HA ARG A 69 94.530 -1.559 2.008 1.00 0.00 H new ATOM 0 HB2 ARG A 69 93.026 -3.881 0.844 1.00 0.00 H new ATOM 0 HB3 ARG A 69 94.419 -3.369 -0.088 1.00 0.00 H new ATOM 0 HG2 ARG A 69 95.197 -5.037 1.502 1.00 0.00 H new ATOM 0 HG3 ARG A 69 95.813 -3.488 2.045 1.00 0.00 H new ATOM 0 HD2 ARG A 69 93.849 -3.261 3.594 1.00 0.00 H new ATOM 0 HD3 ARG A 69 93.259 -4.824 3.064 1.00 0.00 H new ATOM 0 HE ARG A 69 94.672 -5.709 4.698 1.00 0.00 H new ATOM 0 HH11 ARG A 69 97.038 -5.274 2.794 1.00 0.00 H new ATOM 0 HH12 ARG A 69 98.154 -4.363 3.816 1.00 0.00 H new ATOM 0 HH21 ARG A 69 95.700 -3.499 6.152 1.00 0.00 H new ATOM 0 HH22 ARG A 69 97.403 -3.367 5.700 1.00 0.00 H new ATOM 1084 N PRO A 70 94.833 -0.610 -0.411 1.00 0.00 N ATOM 1085 CA PRO A 70 94.871 0.224 -1.634 1.00 0.00 C ATOM 1086 C PRO A 70 94.120 -0.492 -2.756 1.00 0.00 C ATOM 1087 O PRO A 70 93.512 0.138 -3.622 1.00 0.00 O ATOM 1088 CB PRO A 70 96.374 0.391 -1.970 1.00 0.00 C ATOM 1089 CG PRO A 70 97.153 -0.390 -0.933 1.00 0.00 C ATOM 1090 CD PRO A 70 96.167 -0.918 0.123 1.00 0.00 C ATOM 0 HA PRO A 70 94.395 1.195 -1.502 1.00 0.00 H new ATOM 0 HB2 PRO A 70 96.588 0.020 -2.972 1.00 0.00 H new ATOM 0 HB3 PRO A 70 96.658 1.443 -1.953 1.00 0.00 H new ATOM 0 HG2 PRO A 70 97.684 -1.218 -1.403 1.00 0.00 H new ATOM 0 HG3 PRO A 70 97.904 0.246 -0.465 1.00 0.00 H new ATOM 0 HD2 PRO A 70 96.292 -1.990 0.278 1.00 0.00 H new ATOM 0 HD3 PRO A 70 96.327 -0.436 1.087 1.00 0.00 H new ATOM 1098 N GLN A 71 94.167 -1.823 -2.717 1.00 0.00 N ATOM 1099 CA GLN A 71 93.489 -2.632 -3.718 1.00 0.00 C ATOM 1100 C GLN A 71 91.990 -2.362 -3.676 1.00 0.00 C ATOM 1101 O GLN A 71 91.417 -1.866 -4.646 1.00 0.00 O ATOM 1102 CB GLN A 71 93.749 -4.124 -3.463 1.00 0.00 C ATOM 1103 CG GLN A 71 93.111 -4.973 -4.571 1.00 0.00 C ATOM 1104 CD GLN A 71 93.347 -6.456 -4.285 1.00 0.00 C ATOM 1105 OE1 GLN A 71 92.885 -6.972 -3.268 1.00 0.00 O ATOM 1106 NE2 GLN A 71 94.045 -7.175 -5.122 1.00 0.00 N ATOM 0 H GLN A 71 94.666 -2.358 -2.006 1.00 0.00 H new ATOM 0 HA GLN A 71 93.878 -2.366 -4.701 1.00 0.00 H new ATOM 0 HB2 GLN A 71 94.822 -4.312 -3.424 1.00 0.00 H new ATOM 0 HB3 GLN A 71 93.340 -4.411 -2.494 1.00 0.00 H new ATOM 0 HG2 GLN A 71 92.042 -4.770 -4.628 1.00 0.00 H new ATOM 0 HG3 GLN A 71 93.538 -4.707 -5.538 1.00 0.00 H new ATOM 0 HE21 GLN A 71 94.428 -6.748 -5.965 1.00 0.00 H new ATOM 0 HE22 GLN A 71 94.207 -8.164 -4.933 1.00 0.00 H new ATOM 1115 N ASP A 72 91.350 -2.734 -2.566 1.00 0.00 N ATOM 1116 CA ASP A 72 89.909 -2.577 -2.423 1.00 0.00 C ATOM 1117 C ASP A 72 89.425 -1.186 -2.839 1.00 0.00 C ATOM 1118 O ASP A 72 88.366 -1.069 -3.462 1.00 0.00 O ATOM 1119 CB ASP A 72 89.507 -2.858 -0.970 1.00 0.00 C ATOM 1120 CG ASP A 72 89.694 -4.342 -0.658 1.00 0.00 C ATOM 1121 OD1 ASP A 72 89.828 -5.114 -1.594 1.00 0.00 O1- ATOM 1122 OD2 ASP A 72 89.699 -4.685 0.510 1.00 0.00 O ATOM 0 H ASP A 72 91.811 -3.146 -1.755 1.00 0.00 H new ATOM 0 HA ASP A 72 89.433 -3.293 -3.092 1.00 0.00 H new ATOM 0 HB2 ASP A 72 90.112 -2.256 -0.293 1.00 0.00 H new ATOM 0 HB3 ASP A 72 88.468 -2.571 -0.809 1.00 0.00 H new ATOM 1127 N SER A 73 90.171 -0.128 -2.516 1.00 0.00 N ATOM 1128 CA SER A 73 89.752 1.220 -2.889 1.00 0.00 C ATOM 1129 C SER A 73 89.302 1.277 -4.342 1.00 0.00 C ATOM 1130 O SER A 73 90.024 0.857 -5.248 1.00 0.00 O ATOM 1131 CB SER A 73 90.919 2.189 -2.686 1.00 0.00 C ATOM 1132 OG SER A 73 90.474 3.520 -2.903 1.00 0.00 O ATOM 0 H SER A 73 91.053 -0.178 -2.006 1.00 0.00 H new ATOM 0 HA SER A 73 88.910 1.502 -2.257 1.00 0.00 H new ATOM 0 HB2 SER A 73 91.318 2.088 -1.677 1.00 0.00 H new ATOM 0 HB3 SER A 73 91.729 1.948 -3.375 1.00 0.00 H new ATOM 0 HG SER A 73 89.500 3.526 -3.011 1.00 0.00 H new ATOM 1138 N CYS A 74 88.101 1.798 -4.549 1.00 0.00 N ATOM 1139 CA CYS A 74 87.549 1.903 -5.894 1.00 0.00 C ATOM 1140 C CYS A 74 86.258 2.722 -5.911 1.00 0.00 C ATOM 1141 O CYS A 74 86.082 3.652 -5.125 1.00 0.00 O ATOM 1142 CB CYS A 74 87.280 0.504 -6.461 1.00 0.00 C ATOM 1143 SG CYS A 74 85.759 -0.173 -5.745 1.00 0.00 S ATOM 0 H CYS A 74 87.494 2.152 -3.810 1.00 0.00 H new ATOM 0 HA CYS A 74 88.283 2.417 -6.514 1.00 0.00 H new ATOM 0 HB2 CYS A 74 87.190 0.554 -7.546 1.00 0.00 H new ATOM 0 HB3 CYS A 74 88.120 -0.155 -6.240 1.00 0.00 H new ATOM 0 HG CYS A 74 85.308 -1.126 -6.506 1.00 0.00 H new ATOM 1149 N ARG A 75 85.375 2.371 -6.844 1.00 0.00 N ATOM 1150 CA ARG A 75 84.101 3.066 -7.019 1.00 0.00 C ATOM 1151 C ARG A 75 82.959 2.342 -6.305 1.00 0.00 C ATOM 1152 O ARG A 75 82.854 1.117 -6.351 1.00 0.00 O ATOM 1153 CB ARG A 75 83.779 3.149 -8.519 1.00 0.00 C ATOM 1154 CG ARG A 75 82.488 3.950 -8.747 1.00 0.00 C ATOM 1155 CD ARG A 75 82.102 3.916 -10.231 1.00 0.00 C ATOM 1156 NE ARG A 75 83.120 4.584 -11.039 1.00 0.00 N ATOM 1157 CZ ARG A 75 83.051 4.624 -12.373 1.00 0.00 C ATOM 1158 NH1 ARG A 75 82.044 4.085 -13.010 1.00 0.00 N1+ ATOM 1159 NH2 ARG A 75 84.003 5.209 -13.046 1.00 0.00 N ATOM 0 H ARG A 75 85.521 1.601 -7.497 1.00 0.00 H new ATOM 0 HA ARG A 75 84.195 4.062 -6.586 1.00 0.00 H new ATOM 0 HB2 ARG A 75 84.606 3.622 -9.049 1.00 0.00 H new ATOM 0 HB3 ARG A 75 83.669 2.145 -8.930 1.00 0.00 H new ATOM 0 HG2 ARG A 75 81.681 3.534 -8.144 1.00 0.00 H new ATOM 0 HG3 ARG A 75 82.629 4.981 -8.423 1.00 0.00 H new ATOM 0 HD2 ARG A 75 81.988 2.883 -10.560 1.00 0.00 H new ATOM 0 HD3 ARG A 75 81.138 4.404 -10.374 1.00 0.00 H new ATOM 0 HE ARG A 75 83.907 5.033 -10.571 1.00 0.00 H new ATOM 0 HH11 ARG A 75 81.297 3.626 -12.488 1.00 0.00 H new ATOM 0 HH12 ARG A 75 82.005 4.124 -14.029 1.00 0.00 H new ATOM 0 HH21 ARG A 75 84.791 5.631 -12.554 1.00 0.00 H new ATOM 0 HH22 ARG A 75 83.960 5.245 -14.064 1.00 0.00 H new ATOM 1173 N VAL A 76 82.082 3.127 -5.678 1.00 0.00 N ATOM 1174 CA VAL A 76 80.908 2.591 -4.983 1.00 0.00 C ATOM 1175 C VAL A 76 79.639 3.173 -5.612 1.00 0.00 C ATOM 1176 O VAL A 76 79.511 4.391 -5.745 1.00 0.00 O ATOM 1177 CB VAL A 76 80.980 2.963 -3.492 1.00 0.00 C ATOM 1178 CG1 VAL A 76 79.628 2.708 -2.815 1.00 0.00 C ATOM 1179 CG2 VAL A 76 82.063 2.123 -2.802 1.00 0.00 C ATOM 0 H VAL A 76 82.163 4.143 -5.637 1.00 0.00 H new ATOM 0 HA VAL A 76 80.887 1.505 -5.076 1.00 0.00 H new ATOM 0 HB VAL A 76 81.227 4.021 -3.406 1.00 0.00 H new ATOM 0 HG11 VAL A 76 79.693 2.975 -1.760 1.00 0.00 H new ATOM 0 HG12 VAL A 76 78.860 3.314 -3.296 1.00 0.00 H new ATOM 0 HG13 VAL A 76 79.368 1.653 -2.907 1.00 0.00 H new ATOM 0 HG21 VAL A 76 82.112 2.389 -1.746 1.00 0.00 H new ATOM 0 HG22 VAL A 76 81.820 1.065 -2.899 1.00 0.00 H new ATOM 0 HG23 VAL A 76 83.028 2.318 -3.270 1.00 0.00 H new ATOM 1189 N THR A 77 78.700 2.298 -5.999 1.00 0.00 N ATOM 1190 CA THR A 77 77.446 2.748 -6.614 1.00 0.00 C ATOM 1191 C THR A 77 76.242 2.092 -5.943 1.00 0.00 C ATOM 1192 O THR A 77 76.164 0.868 -5.835 1.00 0.00 O ATOM 1193 CB THR A 77 77.445 2.412 -8.109 1.00 0.00 C ATOM 1194 OG1 THR A 77 78.498 3.117 -8.749 1.00 0.00 O ATOM 1195 CG2 THR A 77 76.104 2.809 -8.735 1.00 0.00 C ATOM 0 H THR A 77 78.784 1.286 -5.898 1.00 0.00 H new ATOM 0 HA THR A 77 77.372 3.827 -6.482 1.00 0.00 H new ATOM 0 HB THR A 77 77.591 1.339 -8.237 1.00 0.00 H new ATOM 0 HG1 THR A 77 78.501 2.903 -9.705 1.00 0.00 H new ATOM 0 HG21 THR A 77 76.113 2.566 -9.798 1.00 0.00 H new ATOM 0 HG22 THR A 77 75.298 2.263 -8.245 1.00 0.00 H new ATOM 0 HG23 THR A 77 75.946 3.880 -8.609 1.00 0.00 H new ATOM 1203 N PHE A 78 75.298 2.927 -5.509 1.00 0.00 N ATOM 1204 CA PHE A 78 74.078 2.454 -4.860 1.00 0.00 C ATOM 1205 C PHE A 78 72.872 2.948 -5.650 1.00 0.00 C ATOM 1206 O PHE A 78 72.671 4.151 -5.778 1.00 0.00 O ATOM 1207 CB PHE A 78 74.031 2.998 -3.431 1.00 0.00 C ATOM 1208 CG PHE A 78 72.751 2.570 -2.755 1.00 0.00 C ATOM 1209 CD1 PHE A 78 72.519 1.215 -2.508 1.00 0.00 C ATOM 1210 CD2 PHE A 78 71.805 3.526 -2.360 1.00 0.00 C ATOM 1211 CE1 PHE A 78 71.343 0.807 -1.866 1.00 0.00 C ATOM 1212 CE2 PHE A 78 70.630 3.121 -1.716 1.00 0.00 C ATOM 1213 CZ PHE A 78 70.400 1.759 -1.470 1.00 0.00 C ATOM 0 H PHE A 78 75.357 3.941 -5.597 1.00 0.00 H new ATOM 0 HA PHE A 78 74.064 1.365 -4.829 1.00 0.00 H new ATOM 0 HB2 PHE A 78 74.889 2.633 -2.866 1.00 0.00 H new ATOM 0 HB3 PHE A 78 74.098 4.086 -3.445 1.00 0.00 H new ATOM 0 HD1 PHE A 78 73.249 0.480 -2.813 1.00 0.00 H new ATOM 0 HD2 PHE A 78 71.982 4.574 -2.552 1.00 0.00 H new ATOM 0 HE1 PHE A 78 71.165 -0.241 -1.677 1.00 0.00 H new ATOM 0 HE2 PHE A 78 69.901 3.856 -1.409 1.00 0.00 H new ATOM 0 HZ PHE A 78 69.493 1.446 -0.974 1.00 0.00 H new ATOM 1223 N LEU A 79 72.091 2.025 -6.207 1.00 0.00 N ATOM 1224 CA LEU A 79 70.924 2.402 -7.022 1.00 0.00 C ATOM 1225 C LEU A 79 69.600 2.034 -6.341 1.00 0.00 C ATOM 1226 O LEU A 79 69.046 0.968 -6.595 1.00 0.00 O ATOM 1227 CB LEU A 79 71.010 1.674 -8.370 1.00 0.00 C ATOM 1228 CG LEU A 79 69.997 2.267 -9.374 1.00 0.00 C ATOM 1229 CD1 LEU A 79 70.613 3.469 -10.102 1.00 0.00 C ATOM 1230 CD2 LEU A 79 69.615 1.198 -10.405 1.00 0.00 C ATOM 0 H LEU A 79 72.237 1.020 -6.114 1.00 0.00 H new ATOM 0 HA LEU A 79 70.940 3.484 -7.155 1.00 0.00 H new ATOM 0 HB2 LEU A 79 72.020 1.759 -8.771 1.00 0.00 H new ATOM 0 HB3 LEU A 79 70.811 0.612 -8.229 1.00 0.00 H new ATOM 0 HG LEU A 79 69.111 2.593 -8.829 1.00 0.00 H new ATOM 0 HD11 LEU A 79 69.889 3.878 -10.807 1.00 0.00 H new ATOM 0 HD12 LEU A 79 70.884 4.235 -9.375 1.00 0.00 H new ATOM 0 HD13 LEU A 79 71.504 3.150 -10.642 1.00 0.00 H new ATOM 0 HD21 LEU A 79 68.900 1.615 -11.114 1.00 0.00 H new ATOM 0 HD22 LEU A 79 70.508 0.872 -10.939 1.00 0.00 H new ATOM 0 HD23 LEU A 79 69.165 0.346 -9.896 1.00 0.00 H new ATOM 1242 N ALA A 80 69.070 2.932 -5.506 1.00 0.00 N ATOM 1243 CA ALA A 80 67.788 2.683 -4.832 1.00 0.00 C ATOM 1244 C ALA A 80 66.674 3.420 -5.569 1.00 0.00 C ATOM 1245 O ALA A 80 66.400 4.587 -5.285 1.00 0.00 O ATOM 1246 CB ALA A 80 67.844 3.151 -3.366 1.00 0.00 C ATOM 0 H ALA A 80 69.501 3.829 -5.281 1.00 0.00 H new ATOM 0 HA ALA A 80 67.588 1.612 -4.844 1.00 0.00 H new ATOM 0 HB1 ALA A 80 66.885 2.958 -2.885 1.00 0.00 H new ATOM 0 HB2 ALA A 80 68.629 2.608 -2.840 1.00 0.00 H new ATOM 0 HB3 ALA A 80 68.057 4.219 -3.333 1.00 0.00 H new ATOM 1252 N GLY A 81 66.032 2.733 -6.505 1.00 0.00 N ATOM 1253 CA GLY A 81 64.947 3.336 -7.270 1.00 0.00 C ATOM 1254 C GLY A 81 65.348 4.719 -7.770 1.00 0.00 C ATOM 1255 O GLY A 81 66.529 5.064 -7.781 1.00 0.00 O ATOM 0 H GLY A 81 66.241 1.766 -6.752 1.00 0.00 H new ATOM 0 HA2 GLY A 81 64.692 2.697 -8.116 1.00 0.00 H new ATOM 0 HA3 GLY A 81 64.055 3.413 -6.648 1.00 0.00 H new ATOM 1259 N ASP A 82 64.357 5.509 -8.189 1.00 0.00 N ATOM 1260 CA ASP A 82 64.609 6.862 -8.698 1.00 0.00 C ATOM 1261 C ASP A 82 65.727 7.549 -7.919 1.00 0.00 C ATOM 1262 O ASP A 82 66.390 8.455 -8.425 1.00 0.00 O ATOM 1263 CB ASP A 82 63.330 7.703 -8.585 1.00 0.00 C ATOM 1264 CG ASP A 82 63.492 9.003 -9.372 1.00 0.00 C ATOM 1265 OD1 ASP A 82 63.712 8.924 -10.571 1.00 0.00 O1- ATOM 1266 OD2 ASP A 82 63.401 10.058 -8.765 1.00 0.00 O ATOM 0 H ASP A 82 63.374 5.237 -8.187 1.00 0.00 H new ATOM 0 HA ASP A 82 64.914 6.777 -9.741 1.00 0.00 H new ATOM 0 HB2 ASP A 82 62.479 7.140 -8.967 1.00 0.00 H new ATOM 0 HB3 ASP A 82 63.121 7.925 -7.538 1.00 0.00 H new ATOM 1271 N MET A 83 65.918 7.116 -6.682 1.00 0.00 N ATOM 1272 CA MET A 83 66.943 7.696 -5.824 1.00 0.00 C ATOM 1273 C MET A 83 68.284 6.989 -6.037 1.00 0.00 C ATOM 1274 O MET A 83 68.414 5.805 -5.731 1.00 0.00 O ATOM 1275 CB MET A 83 66.503 7.555 -4.359 1.00 0.00 C ATOM 1276 CG MET A 83 64.985 7.734 -4.262 1.00 0.00 C ATOM 1277 SD MET A 83 64.517 8.133 -2.559 1.00 0.00 S ATOM 1278 CE MET A 83 65.096 6.627 -1.740 1.00 0.00 C ATOM 0 H MET A 83 65.378 6.366 -6.249 1.00 0.00 H new ATOM 0 HA MET A 83 67.069 8.749 -6.074 1.00 0.00 H new ATOM 0 HB2 MET A 83 66.790 6.576 -3.975 1.00 0.00 H new ATOM 0 HB3 MET A 83 67.008 8.299 -3.743 1.00 0.00 H new ATOM 0 HG2 MET A 83 64.661 8.529 -4.933 1.00 0.00 H new ATOM 0 HG3 MET A 83 64.482 6.822 -4.582 1.00 0.00 H new ATOM 0 HE1 MET A 83 64.544 6.483 -0.811 1.00 0.00 H new ATOM 0 HE2 MET A 83 64.933 5.771 -2.395 1.00 0.00 H new ATOM 0 HE3 MET A 83 66.160 6.718 -1.520 1.00 0.00 H new ATOM 1288 N VAL A 84 69.284 7.721 -6.553 1.00 0.00 N ATOM 1289 CA VAL A 84 70.615 7.144 -6.787 1.00 0.00 C ATOM 1290 C VAL A 84 71.688 7.952 -6.049 1.00 0.00 C ATOM 1291 O VAL A 84 71.749 9.176 -6.165 1.00 0.00 O ATOM 1292 CB VAL A 84 70.930 7.116 -8.295 1.00 0.00 C ATOM 1293 CG1 VAL A 84 69.738 6.545 -9.067 1.00 0.00 C ATOM 1294 CG2 VAL A 84 71.233 8.528 -8.808 1.00 0.00 C ATOM 0 H VAL A 84 69.197 8.703 -6.813 1.00 0.00 H new ATOM 0 HA VAL A 84 70.616 6.123 -6.404 1.00 0.00 H new ATOM 0 HB VAL A 84 71.805 6.485 -8.451 1.00 0.00 H new ATOM 0 HG11 VAL A 84 69.969 6.529 -10.132 1.00 0.00 H new ATOM 0 HG12 VAL A 84 69.535 5.531 -8.724 1.00 0.00 H new ATOM 0 HG13 VAL A 84 68.861 7.169 -8.895 1.00 0.00 H new ATOM 0 HG21 VAL A 84 71.453 8.488 -9.875 1.00 0.00 H new ATOM 0 HG22 VAL A 84 70.368 9.170 -8.640 1.00 0.00 H new ATOM 0 HG23 VAL A 84 72.094 8.932 -8.275 1.00 0.00 H new ATOM 1304 N THR A 85 72.524 7.250 -5.283 1.00 0.00 N ATOM 1305 CA THR A 85 73.599 7.885 -4.515 1.00 0.00 C ATOM 1306 C THR A 85 74.913 7.148 -4.761 1.00 0.00 C ATOM 1307 O THR A 85 74.963 5.920 -4.671 1.00 0.00 O ATOM 1308 CB THR A 85 73.260 7.841 -3.013 1.00 0.00 C ATOM 1309 OG1 THR A 85 73.842 6.683 -2.435 1.00 0.00 O ATOM 1310 CG2 THR A 85 71.743 7.774 -2.831 1.00 0.00 C ATOM 0 H THR A 85 72.478 6.237 -5.177 1.00 0.00 H new ATOM 0 HA THR A 85 73.701 8.922 -4.833 1.00 0.00 H new ATOM 0 HB THR A 85 73.650 8.737 -2.529 1.00 0.00 H new ATOM 0 HG1 THR A 85 73.292 6.382 -1.682 1.00 0.00 H new ATOM 0 HG21 THR A 85 71.505 7.743 -1.768 1.00 0.00 H new ATOM 0 HG22 THR A 85 71.283 8.654 -3.280 1.00 0.00 H new ATOM 0 HG23 THR A 85 71.358 6.877 -3.315 1.00 0.00 H new ATOM 1318 N SER A 86 75.982 7.884 -5.066 1.00 0.00 N ATOM 1319 CA SER A 86 77.275 7.243 -5.309 1.00 0.00 C ATOM 1320 C SER A 86 78.436 8.192 -5.020 1.00 0.00 C ATOM 1321 O SER A 86 78.316 9.410 -5.167 1.00 0.00 O ATOM 1322 CB SER A 86 77.349 6.765 -6.757 1.00 0.00 C ATOM 1323 OG SER A 86 77.359 7.890 -7.625 1.00 0.00 O ATOM 0 H SER A 86 75.981 8.901 -5.149 1.00 0.00 H new ATOM 0 HA SER A 86 77.360 6.392 -4.633 1.00 0.00 H new ATOM 0 HB2 SER A 86 78.247 6.167 -6.909 1.00 0.00 H new ATOM 0 HB3 SER A 86 76.497 6.124 -6.984 1.00 0.00 H new ATOM 0 HG SER A 86 77.408 7.585 -8.555 1.00 0.00 H new ATOM 1329 N ALA A 87 79.555 7.615 -4.583 1.00 0.00 N ATOM 1330 CA ALA A 87 80.742 8.400 -4.242 1.00 0.00 C ATOM 1331 C ALA A 87 82.008 7.574 -4.414 1.00 0.00 C ATOM 1332 O ALA A 87 81.953 6.348 -4.521 1.00 0.00 O ATOM 1333 CB ALA A 87 80.662 8.866 -2.788 1.00 0.00 C ATOM 0 H ALA A 87 79.665 6.609 -4.457 1.00 0.00 H new ATOM 0 HA ALA A 87 80.777 9.259 -4.913 1.00 0.00 H new ATOM 0 HB1 ALA A 87 81.550 9.449 -2.544 1.00 0.00 H new ATOM 0 HB2 ALA A 87 79.774 9.483 -2.652 1.00 0.00 H new ATOM 0 HB3 ALA A 87 80.606 7.998 -2.130 1.00 0.00 H new ATOM 1339 N PHE A 88 83.149 8.257 -4.442 1.00 0.00 N ATOM 1340 CA PHE A 88 84.434 7.582 -4.601 1.00 0.00 C ATOM 1341 C PHE A 88 84.974 7.110 -3.255 1.00 0.00 C ATOM 1342 O PHE A 88 84.419 7.421 -2.195 1.00 0.00 O ATOM 1343 CB PHE A 88 85.442 8.532 -5.246 1.00 0.00 C ATOM 1344 CG PHE A 88 84.905 8.973 -6.580 1.00 0.00 C ATOM 1345 CD1 PHE A 88 85.176 8.222 -7.726 1.00 0.00 C ATOM 1346 CD2 PHE A 88 84.124 10.132 -6.666 1.00 0.00 C ATOM 1347 CE1 PHE A 88 84.667 8.628 -8.961 1.00 0.00 C ATOM 1348 CE2 PHE A 88 83.613 10.538 -7.904 1.00 0.00 C ATOM 1349 CZ PHE A 88 83.885 9.785 -9.051 1.00 0.00 C ATOM 0 H PHE A 88 83.211 9.272 -4.357 1.00 0.00 H new ATOM 0 HA PHE A 88 84.284 6.712 -5.240 1.00 0.00 H new ATOM 0 HB2 PHE A 88 85.612 9.396 -4.603 1.00 0.00 H new ATOM 0 HB3 PHE A 88 86.403 8.034 -5.372 1.00 0.00 H new ATOM 0 HD1 PHE A 88 85.779 7.328 -7.657 1.00 0.00 H new ATOM 0 HD2 PHE A 88 83.916 10.712 -5.779 1.00 0.00 H new ATOM 0 HE1 PHE A 88 84.877 8.049 -9.848 1.00 0.00 H new ATOM 0 HE2 PHE A 88 83.010 11.431 -7.974 1.00 0.00 H new ATOM 0 HZ PHE A 88 83.491 10.097 -10.007 1.00 0.00 H new ATOM 1359 N LEU A 89 86.083 6.377 -3.312 1.00 0.00 N ATOM 1360 CA LEU A 89 86.738 5.863 -2.112 1.00 0.00 C ATOM 1361 C LEU A 89 88.251 6.015 -2.280 1.00 0.00 C ATOM 1362 O LEU A 89 88.768 5.917 -3.392 1.00 0.00 O ATOM 1363 CB LEU A 89 86.356 4.384 -1.907 1.00 0.00 C ATOM 1364 CG LEU A 89 86.601 3.952 -0.442 1.00 0.00 C ATOM 1365 CD1 LEU A 89 85.848 2.644 -0.169 1.00 0.00 C ATOM 1366 CD2 LEU A 89 88.113 3.760 -0.158 1.00 0.00 C ATOM 0 H LEU A 89 86.550 6.124 -4.183 1.00 0.00 H new ATOM 0 HA LEU A 89 86.416 6.422 -1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 89 85.307 4.235 -2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 89 86.941 3.756 -2.579 1.00 0.00 H new ATOM 0 HG LEU A 89 86.234 4.738 0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 89 86.017 2.335 0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 89 84.781 2.798 -0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 89 86.210 1.868 -0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 89 88.253 3.457 0.880 1.00 0.00 H new ATOM 0 HD22 LEU A 89 88.512 2.990 -0.818 1.00 0.00 H new ATOM 0 HD23 LEU A 89 88.639 4.698 -0.335 1.00 0.00 H new ATOM 1378 N THR A 90 88.959 6.263 -1.178 1.00 0.00 N ATOM 1379 CA THR A 90 90.416 6.431 -1.232 1.00 0.00 C ATOM 1380 C THR A 90 91.088 5.798 -0.019 1.00 0.00 C ATOM 1381 O THR A 90 90.677 6.035 1.117 1.00 0.00 O ATOM 1382 CB THR A 90 90.773 7.920 -1.279 1.00 0.00 C ATOM 1383 OG1 THR A 90 90.198 8.511 -2.435 1.00 0.00 O ATOM 1384 CG2 THR A 90 92.296 8.077 -1.325 1.00 0.00 C ATOM 0 H THR A 90 88.555 6.352 -0.246 1.00 0.00 H new ATOM 0 HA THR A 90 90.774 5.934 -2.133 1.00 0.00 H new ATOM 0 HB THR A 90 90.383 8.416 -0.390 1.00 0.00 H new ATOM 0 HG1 THR A 90 90.426 9.464 -2.463 1.00 0.00 H new ATOM 0 HG21 THR A 90 92.552 9.136 -1.359 1.00 0.00 H new ATOM 0 HG22 THR A 90 92.735 7.626 -0.435 1.00 0.00 H new ATOM 0 HG23 THR A 90 92.686 7.581 -2.214 1.00 0.00 H new ATOM 1392 N VAL A 91 92.144 5.012 -0.257 1.00 0.00 N ATOM 1393 CA VAL A 91 92.880 4.382 0.852 1.00 0.00 C ATOM 1394 C VAL A 91 94.383 4.611 0.715 1.00 0.00 C ATOM 1395 O VAL A 91 95.004 4.165 -0.249 1.00 0.00 O ATOM 1396 CB VAL A 91 92.617 2.874 0.886 1.00 0.00 C ATOM 1397 CG1 VAL A 91 93.344 2.247 2.076 1.00 0.00 C ATOM 1398 CG2 VAL A 91 91.125 2.608 1.037 1.00 0.00 C ATOM 0 H VAL A 91 92.505 4.798 -1.187 1.00 0.00 H new ATOM 0 HA VAL A 91 92.528 4.840 1.776 1.00 0.00 H new ATOM 0 HB VAL A 91 92.979 2.438 -0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 91 93.153 1.174 2.095 1.00 0.00 H new ATOM 0 HG12 VAL A 91 94.416 2.423 1.982 1.00 0.00 H new ATOM 0 HG13 VAL A 91 92.982 2.696 3.001 1.00 0.00 H new ATOM 0 HG21 VAL A 91 90.948 1.533 1.060 1.00 0.00 H new ATOM 0 HG22 VAL A 91 90.768 3.055 1.965 1.00 0.00 H new ATOM 0 HG23 VAL A 91 90.590 3.046 0.194 1.00 0.00 H new ATOM 1408 N ARG A 92 94.960 5.331 1.686 1.00 0.00 N ATOM 1409 CA ARG A 92 96.392 5.644 1.666 1.00 0.00 C ATOM 1410 C ARG A 92 97.137 4.939 2.797 1.00 0.00 C ATOM 1411 O ARG A 92 96.583 4.694 3.868 1.00 0.00 O ATOM 1412 CB ARG A 92 96.581 7.158 1.808 1.00 0.00 C ATOM 1413 CG ARG A 92 95.948 7.633 3.121 1.00 0.00 C ATOM 1414 CD ARG A 92 96.118 9.146 3.256 1.00 0.00 C ATOM 1415 NE ARG A 92 97.522 9.481 3.476 1.00 0.00 N ATOM 1416 CZ ARG A 92 97.914 10.745 3.618 1.00 0.00 C ATOM 1417 NH1 ARG A 92 98.230 11.454 2.568 1.00 0.00 N ATOM 1418 NH2 ARG A 92 97.986 11.277 4.808 1.00 0.00 N1+ ATOM 0 H ARG A 92 94.458 5.706 2.491 1.00 0.00 H new ATOM 0 HA ARG A 92 96.801 5.294 0.718 1.00 0.00 H new ATOM 0 HB2 ARG A 92 97.642 7.405 1.794 1.00 0.00 H new ATOM 0 HB3 ARG A 92 96.122 7.673 0.964 1.00 0.00 H new ATOM 0 HG2 ARG A 92 94.890 7.373 3.141 1.00 0.00 H new ATOM 0 HG3 ARG A 92 96.416 7.128 3.966 1.00 0.00 H new ATOM 0 HD2 ARG A 92 95.756 9.641 2.355 1.00 0.00 H new ATOM 0 HD3 ARG A 92 95.515 9.514 4.086 1.00 0.00 H new ATOM 0 HE ARG A 92 98.214 8.733 3.522 1.00 0.00 H new ATOM 0 HH11 ARG A 92 98.177 11.039 1.638 1.00 0.00 H new ATOM 0 HH12 ARG A 92 98.530 12.423 2.678 1.00 0.00 H new ATOM 0 HH21 ARG A 92 97.742 10.724 5.630 1.00 0.00 H new ATOM 0 HH22 ARG A 92 98.286 12.246 4.916 1.00 0.00 H new