USER MOD reduce.3.24.130724 H: found=0, std=0, add=943, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 942 hydrogens (6 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 NoAdj-H: A 126 HC4HO4' : A 126 HC4 O4' : A 126 HC4 C4' :(short bond) USER MOD Set 1.1: A 98 TYR OH : rot -55:sc= -4.22! USER MOD Set 1.2: A 100 MET CE :methyl -133:sc= -0.876 (180deg=-4.5!) USER MOD Set 2.1: A 72 SER OG : rot 180:sc= 0.241 USER MOD Set 2.2: A 94 TYR OH : rot 169:sc= 1.18 USER MOD Set 3.1: A 38 ASN : amide:sc= -3.05! K(o=-3.5!,f=-2) USER MOD Set 3.2: A 61 ASN : amide:sc= -0.399 K(o=-3.5,f=-2) USER MOD Set 4.1: A 32 GLN : amide:sc= -0.757 K(o=-12,f=-8.7!) USER MOD Set 4.2: A 41 GLN : amide:sc= -10.9! C(o=-12!,f=-8.2!) USER MOD Set 4.3: A 114 SER OG : rot 180:sc= 0.0965 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -159:sc=-0.00487 (180deg=-0.129) USER MOD Single : A 3 HIS : no HD1:sc= -0.283 X(o=-0.28,f=-0.46) USER MOD Single : A 8 SER OG : rot 81:sc= 0.89 USER MOD Single : A 13 ASN : amide:sc= -0.0366 K(o=-0.037,f=-1.9!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 176:sc= -4.56 (180deg=-4.89) USER MOD Single : A 22 GLN : amide:sc= -1.61 K(o=-1.6,f=-0.73) USER MOD Single : A 42 TYR OH : rot -133:sc= -3.89! USER MOD Single : A 43 ASN : amide:sc= -8.74! C(o=-8.7!,f=-13!) USER MOD Single : A 50 THR OG1 : rot -60:sc= -1.45! USER MOD Single : A 55 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.287) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot -61:sc= 0.238 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 163:sc=-0.00101 (180deg=-0.0599) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.154 X(o=-0.15,f=-0.13) USER MOD Single : A 89 ASN : amide:sc= -2.1! C(o=-2.1!,f=-9!) USER MOD Single : A 90 THR OG1 : rot -130:sc= -0.0177 USER MOD Single : A 91 MET CE :methyl 139:sc= -0.5 (180deg=-2.18!) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.0203 USER MOD Single : A 99 GLN : amide:sc= -1.38 K(o=-1.4,f=0.44) USER MOD Single : A 101 THR OG1 : rot 180:sc= -1.85! USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= -2.18! X(o=-2.2!,f=-2.6) USER MOD Single : A 109 MET CE :methyl -121:sc= -1.77 (180deg=-5.67!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 153:sc= -1.23 (180deg=-2.21) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 0:sc= -3.35! USER MOD Single : A 123 LYS NZ :NH3+ -176:sc= -0.833 (180deg=-1.08!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.365 -5.124 11.480 1.00 0.00 N ATOM 2 CA MET A 1 14.573 -5.209 12.349 1.00 0.00 C ATOM 3 C MET A 1 14.782 -3.874 13.065 1.00 0.00 C ATOM 4 O MET A 1 14.431 -3.711 14.217 1.00 0.00 O ATOM 5 CB MET A 1 15.799 -5.520 11.488 1.00 0.00 C ATOM 6 CG MET A 1 15.725 -6.968 10.997 1.00 0.00 C ATOM 7 SD MET A 1 17.003 -7.953 11.819 1.00 0.00 S ATOM 8 CE MET A 1 16.044 -9.478 11.986 1.00 0.00 C ATOM 0 H1 MET A 1 13.014 -6.082 11.279 1.00 0.00 H new ATOM 0 H2 MET A 1 12.625 -4.579 11.967 1.00 0.00 H new ATOM 0 H3 MET A 1 13.612 -4.651 10.587 1.00 0.00 H new ATOM 0 HA MET A 1 14.434 -6.000 13.086 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.842 -4.839 10.638 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.711 -5.367 12.066 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.740 -7.384 11.207 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.863 -7.004 9.916 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.651 -10.238 12.478 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.153 -9.284 12.583 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.749 -9.832 10.998 1.00 0.00 H new ATOM 20 N GLU A 2 15.354 -2.915 12.389 1.00 0.00 N ATOM 21 CA GLU A 2 15.589 -1.591 13.027 1.00 0.00 C ATOM 22 C GLU A 2 14.439 -0.640 12.679 1.00 0.00 C ATOM 23 O GLU A 2 14.570 0.564 12.771 1.00 0.00 O ATOM 24 CB GLU A 2 16.909 -1.011 12.515 1.00 0.00 C ATOM 25 CG GLU A 2 17.292 0.207 13.357 1.00 0.00 C ATOM 26 CD GLU A 2 18.552 -0.109 14.166 1.00 0.00 C ATOM 27 OE1 GLU A 2 19.597 -0.274 13.558 1.00 0.00 O ATOM 28 OE2 GLU A 2 18.450 -0.181 15.380 1.00 0.00 O ATOM 0 H GLU A 2 15.669 -2.992 11.422 1.00 0.00 H new ATOM 0 HA GLU A 2 15.639 -1.711 14.109 1.00 0.00 H new ATOM 0 HB2 GLU A 2 17.695 -1.765 12.568 1.00 0.00 H new ATOM 0 HB3 GLU A 2 16.811 -0.726 11.467 1.00 0.00 H new ATOM 0 HG2 GLU A 2 17.467 1.068 12.712 1.00 0.00 H new ATOM 0 HG3 GLU A 2 16.474 0.472 14.027 1.00 0.00 H new ATOM 35 N HIS A 3 13.312 -1.168 12.282 1.00 0.00 N ATOM 36 CA HIS A 3 12.160 -0.291 11.932 1.00 0.00 C ATOM 37 C HIS A 3 12.587 0.699 10.847 1.00 0.00 C ATOM 38 O HIS A 3 12.306 1.879 10.919 1.00 0.00 O ATOM 39 CB HIS A 3 11.706 0.473 13.180 1.00 0.00 C ATOM 40 CG HIS A 3 10.266 0.146 13.473 1.00 0.00 C ATOM 41 ND1 HIS A 3 9.766 -1.143 13.373 1.00 0.00 N ATOM 42 CD2 HIS A 3 9.209 0.930 13.859 1.00 0.00 C ATOM 43 CE1 HIS A 3 8.460 -1.096 13.692 1.00 0.00 C ATOM 44 NE2 HIS A 3 8.068 0.144 13.997 1.00 0.00 N ATOM 0 H HIS A 3 13.141 -2.169 12.185 1.00 0.00 H new ATOM 0 HA HIS A 3 11.335 -0.899 11.561 1.00 0.00 H new ATOM 0 HB2 HIS A 3 12.331 0.204 14.031 1.00 0.00 H new ATOM 0 HB3 HIS A 3 11.822 1.546 13.025 1.00 0.00 H new ATOM 0 HD2 HIS A 3 9.255 1.995 14.030 1.00 0.00 H new ATOM 0 HE1 HIS A 3 7.807 -1.957 13.700 1.00 0.00 H new ATOM 0 HE2 HIS A 3 7.134 0.449 14.272 1.00 0.00 H new ATOM 52 N VAL A 4 13.262 0.224 9.837 1.00 0.00 N ATOM 53 CA VAL A 4 13.706 1.131 8.741 1.00 0.00 C ATOM 54 C VAL A 4 12.483 1.709 8.030 1.00 0.00 C ATOM 55 O VAL A 4 11.863 1.047 7.240 1.00 0.00 O ATOM 56 CB VAL A 4 14.544 0.336 7.725 1.00 0.00 C ATOM 57 CG1 VAL A 4 13.721 -0.841 7.188 1.00 0.00 C ATOM 58 CG2 VAL A 4 14.937 1.239 6.548 1.00 0.00 C ATOM 0 H VAL A 4 13.526 -0.755 9.723 1.00 0.00 H new ATOM 0 HA VAL A 4 14.304 1.939 9.163 1.00 0.00 H new ATOM 0 HB VAL A 4 15.442 -0.031 8.222 1.00 0.00 H new ATOM 0 HG11 VAL A 4 14.316 -1.403 6.468 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.438 -1.494 8.014 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.822 -0.464 6.700 1.00 0.00 H new ATOM 0 HG21 VAL A 4 15.530 0.668 5.834 1.00 0.00 H new ATOM 0 HG22 VAL A 4 14.037 1.610 6.058 1.00 0.00 H new ATOM 0 HG23 VAL A 4 15.524 2.081 6.915 1.00 0.00 H new ATOM 68 N ALA A 5 12.136 2.942 8.277 1.00 0.00 N ATOM 69 CA ALA A 5 10.961 3.524 7.557 1.00 0.00 C ATOM 70 C ALA A 5 9.745 2.607 7.675 1.00 0.00 C ATOM 71 O ALA A 5 9.273 2.130 6.675 1.00 0.00 O ATOM 72 CB ALA A 5 11.306 3.604 6.063 1.00 0.00 C ATOM 0 H ALA A 5 12.604 3.566 8.934 1.00 0.00 H new ATOM 0 HA ALA A 5 10.738 4.500 7.989 1.00 0.00 H new ATOM 0 HB1 ALA A 5 10.462 4.026 5.517 1.00 0.00 H new ATOM 0 HB2 ALA A 5 12.182 4.238 5.925 1.00 0.00 H new ATOM 0 HB3 ALA A 5 11.519 2.604 5.685 1.00 0.00 H new ATOM 78 N PHE A 6 9.224 2.326 8.849 1.00 0.00 N ATOM 79 CA PHE A 6 8.046 1.397 8.890 1.00 0.00 C ATOM 80 C PHE A 6 8.528 0.043 8.347 1.00 0.00 C ATOM 81 O PHE A 6 7.746 -0.773 7.919 1.00 0.00 O ATOM 82 CB PHE A 6 6.934 2.007 7.998 1.00 0.00 C ATOM 83 CG PHE A 6 5.795 1.051 7.735 1.00 0.00 C ATOM 84 CD1 PHE A 6 4.776 0.933 8.681 1.00 0.00 C ATOM 85 CD2 PHE A 6 5.710 0.333 6.521 1.00 0.00 C ATOM 86 CE1 PHE A 6 3.687 0.101 8.433 1.00 0.00 C ATOM 87 CE2 PHE A 6 4.613 -0.488 6.278 1.00 0.00 C ATOM 88 CZ PHE A 6 3.606 -0.606 7.228 1.00 0.00 C ATOM 0 H PHE A 6 9.547 2.683 9.748 1.00 0.00 H new ATOM 0 HA PHE A 6 7.645 1.259 9.894 1.00 0.00 H new ATOM 0 HB2 PHE A 6 6.544 2.905 8.477 1.00 0.00 H new ATOM 0 HB3 PHE A 6 7.368 2.316 7.047 1.00 0.00 H new ATOM 0 HD1 PHE A 6 4.832 1.487 9.606 1.00 0.00 H new ATOM 0 HD2 PHE A 6 6.494 0.421 5.784 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.905 0.001 9.171 1.00 0.00 H new ATOM 0 HE2 PHE A 6 4.544 -1.035 5.349 1.00 0.00 H new ATOM 0 HZ PHE A 6 2.757 -1.246 7.036 1.00 0.00 H new ATOM 98 N GLY A 7 9.833 -0.184 8.370 1.00 0.00 N ATOM 99 CA GLY A 7 10.414 -1.463 7.850 1.00 0.00 C ATOM 100 C GLY A 7 10.895 -1.251 6.399 1.00 0.00 C ATOM 101 O GLY A 7 11.701 -1.994 5.874 1.00 0.00 O ATOM 0 H GLY A 7 10.521 0.476 8.733 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.246 -1.780 8.479 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.667 -2.256 7.886 1.00 0.00 H new ATOM 105 N SER A 8 10.346 -0.255 5.751 1.00 0.00 N ATOM 106 CA SER A 8 10.672 0.041 4.323 1.00 0.00 C ATOM 107 C SER A 8 12.046 0.695 4.142 1.00 0.00 C ATOM 108 O SER A 8 12.671 1.167 5.063 1.00 0.00 O ATOM 109 CB SER A 8 9.599 0.975 3.738 1.00 0.00 C ATOM 110 OG SER A 8 8.528 1.130 4.659 1.00 0.00 O ATOM 0 H SER A 8 9.666 0.383 6.165 1.00 0.00 H new ATOM 0 HA SER A 8 10.694 -0.915 3.800 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.037 1.947 3.512 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.225 0.567 2.799 1.00 0.00 H new ATOM 0 HG SER A 8 8.772 1.795 5.336 1.00 0.00 H new ATOM 116 N GLU A 9 12.507 0.717 2.920 1.00 0.00 N ATOM 117 CA GLU A 9 13.828 1.326 2.603 1.00 0.00 C ATOM 118 C GLU A 9 13.609 2.578 1.754 1.00 0.00 C ATOM 119 O GLU A 9 13.976 2.613 0.594 1.00 0.00 O ATOM 120 CB GLU A 9 14.641 0.325 1.784 1.00 0.00 C ATOM 121 CG GLU A 9 15.397 -0.615 2.724 1.00 0.00 C ATOM 122 CD GLU A 9 14.506 -1.807 3.078 1.00 0.00 C ATOM 123 OE1 GLU A 9 14.182 -2.566 2.178 1.00 0.00 O ATOM 124 OE2 GLU A 9 14.162 -1.942 4.240 1.00 0.00 O ATOM 0 H GLU A 9 12.013 0.331 2.115 1.00 0.00 H new ATOM 0 HA GLU A 9 14.351 1.583 3.524 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.981 -0.249 1.133 1.00 0.00 H new ATOM 0 HB3 GLU A 9 15.344 0.853 1.139 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.314 -0.962 2.248 1.00 0.00 H new ATOM 0 HG3 GLU A 9 15.689 -0.084 3.630 1.00 0.00 H new ATOM 131 N ASP A 10 12.992 3.601 2.291 1.00 0.00 N ATOM 132 CA ASP A 10 12.742 4.819 1.461 1.00 0.00 C ATOM 133 C ASP A 10 12.005 4.369 0.200 1.00 0.00 C ATOM 134 O ASP A 10 12.604 4.134 -0.830 1.00 0.00 O ATOM 135 CB ASP A 10 14.076 5.462 1.076 1.00 0.00 C ATOM 136 CG ASP A 10 14.834 5.865 2.342 1.00 0.00 C ATOM 137 OD1 ASP A 10 15.270 4.975 3.054 1.00 0.00 O ATOM 138 OD2 ASP A 10 14.963 7.054 2.579 1.00 0.00 O ATOM 0 H ASP A 10 12.655 3.646 3.253 1.00 0.00 H new ATOM 0 HA ASP A 10 12.152 5.550 2.014 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.672 4.763 0.489 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.902 6.337 0.450 1.00 0.00 H new ATOM 143 N ILE A 11 10.719 4.191 0.288 1.00 0.00 N ATOM 144 CA ILE A 11 9.964 3.695 -0.883 1.00 0.00 C ATOM 145 C ILE A 11 9.627 4.816 -1.839 1.00 0.00 C ATOM 146 O ILE A 11 9.928 4.732 -2.995 1.00 0.00 O ATOM 147 CB ILE A 11 8.668 3.053 -0.430 1.00 0.00 C ATOM 148 CG1 ILE A 11 8.825 2.353 0.921 1.00 0.00 C ATOM 149 CG2 ILE A 11 8.227 2.030 -1.460 1.00 0.00 C ATOM 150 CD1 ILE A 11 10.031 1.421 0.874 1.00 0.00 C ATOM 0 H ILE A 11 10.161 4.369 1.123 1.00 0.00 H new ATOM 0 HA ILE A 11 10.596 2.968 -1.393 1.00 0.00 H new ATOM 0 HB ILE A 11 7.924 3.843 -0.325 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.953 3.091 1.712 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.924 1.787 1.156 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.295 1.567 -1.137 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.073 2.523 -2.420 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.996 1.264 -1.565 1.00 0.00 H new ATOM 0 HD11 ILE A 11 10.143 0.922 1.837 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.884 0.675 0.093 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.929 1.999 0.658 1.00 0.00 H new ATOM 162 N GLU A 12 8.965 5.842 -1.381 1.00 0.00 N ATOM 163 CA GLU A 12 8.560 6.950 -2.302 1.00 0.00 C ATOM 164 C GLU A 12 9.676 7.284 -3.309 1.00 0.00 C ATOM 165 O GLU A 12 9.411 7.729 -4.409 1.00 0.00 O ATOM 166 CB GLU A 12 8.212 8.196 -1.486 1.00 0.00 C ATOM 167 CG GLU A 12 7.683 9.288 -2.417 1.00 0.00 C ATOM 168 CD GLU A 12 8.492 10.569 -2.212 1.00 0.00 C ATOM 169 OE1 GLU A 12 8.381 11.151 -1.145 1.00 0.00 O ATOM 170 OE2 GLU A 12 9.209 10.946 -3.124 1.00 0.00 O ATOM 0 H GLU A 12 8.685 5.964 -0.408 1.00 0.00 H new ATOM 0 HA GLU A 12 7.687 6.619 -2.865 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.463 7.952 -0.733 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.094 8.553 -0.955 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.755 8.962 -3.455 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.629 9.475 -2.214 1.00 0.00 H new ATOM 177 N ASN A 13 10.911 7.055 -2.954 1.00 0.00 N ATOM 178 CA ASN A 13 12.023 7.340 -3.905 1.00 0.00 C ATOM 179 C ASN A 13 12.242 6.112 -4.801 1.00 0.00 C ATOM 180 O ASN A 13 12.438 6.226 -5.994 1.00 0.00 O ATOM 181 CB ASN A 13 13.302 7.636 -3.117 1.00 0.00 C ATOM 182 CG ASN A 13 13.155 8.975 -2.391 1.00 0.00 C ATOM 183 OD1 ASN A 13 12.284 9.760 -2.710 1.00 0.00 O ATOM 184 ND2 ASN A 13 13.977 9.272 -1.422 1.00 0.00 N ATOM 0 H ASN A 13 11.198 6.684 -2.048 1.00 0.00 H new ATOM 0 HA ASN A 13 11.772 8.203 -4.521 1.00 0.00 H new ATOM 0 HB2 ASN A 13 13.492 6.839 -2.398 1.00 0.00 H new ATOM 0 HB3 ASN A 13 14.158 7.668 -3.791 1.00 0.00 H new ATOM 0 HD21 ASN A 13 13.888 10.163 -0.933 1.00 0.00 H new ATOM 0 HD22 ASN A 13 14.708 8.613 -1.154 1.00 0.00 H new ATOM 191 N THR A 14 12.210 4.938 -4.226 1.00 0.00 N ATOM 192 CA THR A 14 12.412 3.689 -5.023 1.00 0.00 C ATOM 193 C THR A 14 11.198 3.436 -5.930 1.00 0.00 C ATOM 194 O THR A 14 11.254 2.626 -6.832 1.00 0.00 O ATOM 195 CB THR A 14 12.584 2.504 -4.046 1.00 0.00 C ATOM 196 OG1 THR A 14 13.908 2.510 -3.531 1.00 0.00 O ATOM 197 CG2 THR A 14 12.322 1.165 -4.756 1.00 0.00 C ATOM 0 H THR A 14 12.051 4.789 -3.230 1.00 0.00 H new ATOM 0 HA THR A 14 13.298 3.794 -5.649 1.00 0.00 H new ATOM 0 HB THR A 14 11.863 2.614 -3.236 1.00 0.00 H new ATOM 0 HG1 THR A 14 14.021 1.761 -2.909 1.00 0.00 H new ATOM 0 HG21 THR A 14 12.449 0.346 -4.048 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.304 1.153 -5.146 1.00 0.00 H new ATOM 0 HG23 THR A 14 13.027 1.045 -5.579 1.00 0.00 H new ATOM 205 N LEU A 15 10.109 4.102 -5.696 1.00 0.00 N ATOM 206 CA LEU A 15 8.906 3.873 -6.536 1.00 0.00 C ATOM 207 C LEU A 15 8.893 4.891 -7.679 1.00 0.00 C ATOM 208 O LEU A 15 8.237 4.702 -8.682 1.00 0.00 O ATOM 209 CB LEU A 15 7.646 4.023 -5.672 1.00 0.00 C ATOM 210 CG LEU A 15 7.791 3.226 -4.376 1.00 0.00 C ATOM 211 CD1 LEU A 15 6.842 3.795 -3.317 1.00 0.00 C ATOM 212 CD2 LEU A 15 7.441 1.759 -4.631 1.00 0.00 C ATOM 0 H LEU A 15 9.998 4.797 -4.958 1.00 0.00 H new ATOM 0 HA LEU A 15 8.927 2.867 -6.955 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.478 5.075 -5.442 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.774 3.674 -6.225 1.00 0.00 H new ATOM 0 HG LEU A 15 8.820 3.298 -4.023 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.945 3.227 -2.393 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.090 4.840 -3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.814 3.724 -3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.545 1.194 -3.705 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.413 1.687 -4.986 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.115 1.350 -5.384 1.00 0.00 H new ATOM 224 N ALA A 16 9.630 5.962 -7.540 1.00 0.00 N ATOM 225 CA ALA A 16 9.676 6.982 -8.623 1.00 0.00 C ATOM 226 C ALA A 16 10.789 6.609 -9.606 1.00 0.00 C ATOM 227 O ALA A 16 10.631 6.706 -10.807 1.00 0.00 O ATOM 228 CB ALA A 16 9.965 8.356 -8.017 1.00 0.00 C ATOM 0 H ALA A 16 10.202 6.172 -6.722 1.00 0.00 H new ATOM 0 HA ALA A 16 8.719 7.015 -9.144 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.999 9.103 -8.810 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.178 8.614 -7.308 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.925 8.331 -7.500 1.00 0.00 H new ATOM 234 N LYS A 17 11.912 6.172 -9.100 1.00 0.00 N ATOM 235 CA LYS A 17 13.037 5.779 -9.996 1.00 0.00 C ATOM 236 C LYS A 17 13.131 4.252 -10.027 1.00 0.00 C ATOM 237 O LYS A 17 14.145 3.672 -9.694 1.00 0.00 O ATOM 238 CB LYS A 17 14.347 6.365 -9.456 1.00 0.00 C ATOM 239 CG LYS A 17 15.139 7.000 -10.603 1.00 0.00 C ATOM 240 CD LYS A 17 16.550 6.404 -10.651 1.00 0.00 C ATOM 241 CE LYS A 17 17.585 7.520 -10.488 1.00 0.00 C ATOM 242 NZ LYS A 17 18.897 6.929 -10.102 1.00 0.00 N ATOM 0 H LYS A 17 12.098 6.070 -8.102 1.00 0.00 H new ATOM 0 HA LYS A 17 12.863 6.159 -11.003 1.00 0.00 H new ATOM 0 HB2 LYS A 17 14.135 7.112 -8.691 1.00 0.00 H new ATOM 0 HB3 LYS A 17 14.939 5.582 -8.982 1.00 0.00 H new ATOM 0 HG2 LYS A 17 14.628 6.826 -11.550 1.00 0.00 H new ATOM 0 HG3 LYS A 17 15.195 8.080 -10.465 1.00 0.00 H new ATOM 0 HD2 LYS A 17 16.670 5.664 -9.859 1.00 0.00 H new ATOM 0 HD3 LYS A 17 16.705 5.886 -11.598 1.00 0.00 H new ATOM 0 HE2 LYS A 17 17.685 8.077 -11.420 1.00 0.00 H new ATOM 0 HE3 LYS A 17 17.255 8.228 -9.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 19.600 7.687 -9.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 18.796 6.417 -9.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 19.212 6.270 -10.842 1.00 0.00 H new ATOM 256 N MET A 18 12.069 3.594 -10.411 1.00 0.00 N ATOM 257 CA MET A 18 12.090 2.106 -10.448 1.00 0.00 C ATOM 258 C MET A 18 12.101 1.614 -11.898 1.00 0.00 C ATOM 259 O MET A 18 12.112 2.394 -12.829 1.00 0.00 O ATOM 260 CB MET A 18 10.846 1.565 -9.738 1.00 0.00 C ATOM 261 CG MET A 18 11.190 0.239 -9.060 1.00 0.00 C ATOM 262 SD MET A 18 10.262 0.064 -7.511 1.00 0.00 S ATOM 263 CE MET A 18 8.643 0.584 -8.130 1.00 0.00 C ATOM 0 H MET A 18 11.190 4.024 -10.700 1.00 0.00 H new ATOM 0 HA MET A 18 12.989 1.750 -9.945 1.00 0.00 H new ATOM 0 HB2 MET A 18 10.493 2.284 -8.999 1.00 0.00 H new ATOM 0 HB3 MET A 18 10.037 1.422 -10.455 1.00 0.00 H new ATOM 0 HG2 MET A 18 10.956 -0.590 -9.728 1.00 0.00 H new ATOM 0 HG3 MET A 18 12.260 0.193 -8.858 1.00 0.00 H new ATOM 0 HE1 MET A 18 7.900 0.480 -7.339 1.00 0.00 H new ATOM 0 HE2 MET A 18 8.692 1.626 -8.447 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.360 -0.040 -8.978 1.00 0.00 H new ATOM 273 N ASP A 19 12.101 0.322 -12.089 1.00 0.00 N ATOM 274 CA ASP A 19 12.113 -0.235 -13.470 1.00 0.00 C ATOM 275 C ASP A 19 11.133 -1.409 -13.551 1.00 0.00 C ATOM 276 O ASP A 19 10.222 -1.416 -14.356 1.00 0.00 O ATOM 277 CB ASP A 19 13.524 -0.723 -13.805 1.00 0.00 C ATOM 278 CG ASP A 19 14.158 0.208 -14.839 1.00 0.00 C ATOM 279 OD1 ASP A 19 14.755 1.192 -14.434 1.00 0.00 O ATOM 280 OD2 ASP A 19 14.036 -0.077 -16.019 1.00 0.00 O ATOM 0 H ASP A 19 12.093 -0.374 -11.343 1.00 0.00 H new ATOM 0 HA ASP A 19 11.816 0.536 -14.181 1.00 0.00 H new ATOM 0 HB2 ASP A 19 14.134 -0.749 -12.902 1.00 0.00 H new ATOM 0 HB3 ASP A 19 13.485 -1.741 -14.193 1.00 0.00 H new ATOM 285 N ASP A 20 11.308 -2.400 -12.719 1.00 0.00 N ATOM 286 CA ASP A 20 10.385 -3.571 -12.744 1.00 0.00 C ATOM 287 C ASP A 20 10.774 -4.554 -11.637 1.00 0.00 C ATOM 288 O ASP A 20 9.955 -4.951 -10.831 1.00 0.00 O ATOM 289 CB ASP A 20 10.481 -4.272 -14.102 1.00 0.00 C ATOM 290 CG ASP A 20 9.117 -4.860 -14.470 1.00 0.00 C ATOM 291 OD1 ASP A 20 8.721 -5.825 -13.839 1.00 0.00 O ATOM 292 OD2 ASP A 20 8.494 -4.333 -15.377 1.00 0.00 O ATOM 0 H ASP A 20 12.051 -2.449 -12.022 1.00 0.00 H new ATOM 0 HA ASP A 20 9.363 -3.227 -12.584 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.802 -3.565 -14.867 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.231 -5.062 -14.063 1.00 0.00 H new ATOM 297 N GLY A 21 12.017 -4.952 -11.591 1.00 0.00 N ATOM 298 CA GLY A 21 12.455 -5.911 -10.538 1.00 0.00 C ATOM 299 C GLY A 21 13.054 -5.141 -9.359 1.00 0.00 C ATOM 300 O GLY A 21 14.128 -5.453 -8.884 1.00 0.00 O ATOM 0 H GLY A 21 12.748 -4.654 -12.237 1.00 0.00 H new ATOM 0 HA2 GLY A 21 11.608 -6.509 -10.202 1.00 0.00 H new ATOM 0 HA3 GLY A 21 13.192 -6.603 -10.946 1.00 0.00 H new ATOM 304 N GLN A 22 12.370 -4.137 -8.882 1.00 0.00 N ATOM 305 CA GLN A 22 12.902 -3.351 -7.733 1.00 0.00 C ATOM 306 C GLN A 22 11.903 -3.398 -6.577 1.00 0.00 C ATOM 307 O GLN A 22 12.232 -3.785 -5.474 1.00 0.00 O ATOM 308 CB GLN A 22 13.112 -1.900 -8.159 1.00 0.00 C ATOM 309 CG GLN A 22 14.608 -1.604 -8.265 1.00 0.00 C ATOM 310 CD GLN A 22 14.811 -0.307 -9.052 1.00 0.00 C ATOM 311 OE1 GLN A 22 15.358 0.649 -8.538 1.00 0.00 O ATOM 312 NE2 GLN A 22 14.392 -0.234 -10.285 1.00 0.00 N ATOM 0 H GLN A 22 11.466 -3.827 -9.238 1.00 0.00 H new ATOM 0 HA GLN A 22 13.852 -3.778 -7.413 1.00 0.00 H new ATOM 0 HB2 GLN A 22 12.627 -1.719 -9.118 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.649 -1.228 -7.436 1.00 0.00 H new ATOM 0 HG2 GLN A 22 15.044 -1.512 -7.270 1.00 0.00 H new ATOM 0 HG3 GLN A 22 15.120 -2.428 -8.762 1.00 0.00 H new ATOM 0 HE21 GLN A 22 13.933 -1.036 -10.716 1.00 0.00 H new ATOM 0 HE22 GLN A 22 14.523 0.626 -10.818 1.00 0.00 H new ATOM 321 N LEU A 23 10.684 -2.997 -6.819 1.00 0.00 N ATOM 322 CA LEU A 23 9.663 -3.012 -5.727 1.00 0.00 C ATOM 323 C LEU A 23 9.332 -4.455 -5.322 1.00 0.00 C ATOM 324 O LEU A 23 8.651 -4.685 -4.344 1.00 0.00 O ATOM 325 CB LEU A 23 8.370 -2.301 -6.177 1.00 0.00 C ATOM 326 CG LEU A 23 8.052 -2.584 -7.658 1.00 0.00 C ATOM 327 CD1 LEU A 23 8.136 -4.084 -7.950 1.00 0.00 C ATOM 328 CD2 LEU A 23 6.635 -2.097 -7.969 1.00 0.00 C ATOM 0 H LEU A 23 10.350 -2.660 -7.722 1.00 0.00 H new ATOM 0 HA LEU A 23 10.082 -2.482 -4.871 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.537 -2.632 -5.556 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.473 -1.227 -6.026 1.00 0.00 H new ATOM 0 HG LEU A 23 8.779 -2.061 -8.279 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.908 -4.263 -9.001 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.142 -4.442 -7.731 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.418 -4.617 -7.327 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.404 -2.294 -9.016 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.922 -2.623 -7.334 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.568 -1.026 -7.779 1.00 0.00 H new ATOM 340 N ASP A 24 9.795 -5.429 -6.060 1.00 0.00 N ATOM 341 CA ASP A 24 9.480 -6.842 -5.698 1.00 0.00 C ATOM 342 C ASP A 24 10.478 -7.360 -4.651 1.00 0.00 C ATOM 343 O ASP A 24 10.365 -8.474 -4.178 1.00 0.00 O ATOM 344 CB ASP A 24 9.560 -7.720 -6.951 1.00 0.00 C ATOM 345 CG ASP A 24 8.842 -7.026 -8.111 1.00 0.00 C ATOM 346 OD1 ASP A 24 7.626 -6.940 -8.064 1.00 0.00 O ATOM 347 OD2 ASP A 24 9.522 -6.591 -9.026 1.00 0.00 O ATOM 0 H ASP A 24 10.373 -5.309 -6.892 1.00 0.00 H new ATOM 0 HA ASP A 24 8.474 -6.882 -5.280 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.602 -7.904 -7.213 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.104 -8.691 -6.757 1.00 0.00 H new ATOM 352 N GLY A 25 11.448 -6.569 -4.281 1.00 0.00 N ATOM 353 CA GLY A 25 12.439 -7.024 -3.265 1.00 0.00 C ATOM 354 C GLY A 25 12.073 -6.422 -1.912 1.00 0.00 C ATOM 355 O GLY A 25 12.926 -6.073 -1.121 1.00 0.00 O ATOM 0 H GLY A 25 11.597 -5.626 -4.639 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.444 -8.112 -3.204 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.444 -6.717 -3.555 1.00 0.00 H new ATOM 359 N LEU A 26 10.806 -6.293 -1.646 1.00 0.00 N ATOM 360 CA LEU A 26 10.363 -5.711 -0.362 1.00 0.00 C ATOM 361 C LEU A 26 9.489 -6.723 0.378 1.00 0.00 C ATOM 362 O LEU A 26 8.787 -7.515 -0.219 1.00 0.00 O ATOM 363 CB LEU A 26 9.543 -4.450 -0.644 1.00 0.00 C ATOM 364 CG LEU A 26 10.378 -3.460 -1.459 1.00 0.00 C ATOM 365 CD1 LEU A 26 9.445 -2.509 -2.212 1.00 0.00 C ATOM 366 CD2 LEU A 26 11.274 -2.653 -0.519 1.00 0.00 C ATOM 0 H LEU A 26 10.052 -6.571 -2.275 1.00 0.00 H new ATOM 0 HA LEU A 26 11.231 -5.462 0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.636 -4.710 -1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.231 -3.991 0.294 1.00 0.00 H new ATOM 0 HG LEU A 26 10.997 -4.006 -2.171 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.037 -1.803 -2.793 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.804 -3.083 -2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.828 -1.964 -1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.869 -1.948 -1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.656 -2.106 0.193 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.937 -3.329 0.021 1.00 0.00 H new ATOM 378 N ALA A 27 9.512 -6.680 1.677 1.00 0.00 N ATOM 379 CA ALA A 27 8.669 -7.613 2.488 1.00 0.00 C ATOM 380 C ALA A 27 7.345 -6.915 2.830 1.00 0.00 C ATOM 381 O ALA A 27 6.679 -7.229 3.809 1.00 0.00 O ATOM 382 CB ALA A 27 9.402 -7.981 3.779 1.00 0.00 C ATOM 0 H ALA A 27 10.083 -6.034 2.222 1.00 0.00 H new ATOM 0 HA ALA A 27 8.473 -8.522 1.919 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.785 -8.661 4.367 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.346 -8.468 3.535 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.598 -7.077 4.356 1.00 0.00 H new ATOM 388 N PHE A 28 6.964 -5.961 2.025 1.00 0.00 N ATOM 389 CA PHE A 28 5.706 -5.221 2.264 1.00 0.00 C ATOM 390 C PHE A 28 5.203 -4.699 0.923 1.00 0.00 C ATOM 391 O PHE A 28 5.954 -4.174 0.126 1.00 0.00 O ATOM 392 CB PHE A 28 5.957 -4.049 3.216 1.00 0.00 C ATOM 393 CG PHE A 28 7.182 -3.274 2.800 1.00 0.00 C ATOM 394 CD1 PHE A 28 8.454 -3.856 2.883 1.00 0.00 C ATOM 395 CD2 PHE A 28 7.041 -1.972 2.329 1.00 0.00 C ATOM 396 CE1 PHE A 28 9.583 -3.130 2.496 1.00 0.00 C ATOM 397 CE2 PHE A 28 8.163 -1.250 1.936 1.00 0.00 C ATOM 398 CZ PHE A 28 9.440 -1.826 2.020 1.00 0.00 C ATOM 0 H PHE A 28 7.484 -5.663 1.200 1.00 0.00 H new ATOM 0 HA PHE A 28 4.965 -5.879 2.718 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.089 -3.389 3.225 1.00 0.00 H new ATOM 0 HB3 PHE A 28 6.084 -4.421 4.233 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.562 -4.867 3.247 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.061 -1.522 2.269 1.00 0.00 H new ATOM 0 HE1 PHE A 28 10.564 -3.577 2.565 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.051 -0.242 1.565 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.310 -1.262 1.717 1.00 0.00 H new ATOM 408 N GLY A 29 3.944 -4.861 0.658 1.00 0.00 N ATOM 409 CA GLY A 29 3.395 -4.401 -0.642 1.00 0.00 C ATOM 410 C GLY A 29 3.411 -2.878 -0.730 1.00 0.00 C ATOM 411 O GLY A 29 2.841 -2.195 0.092 1.00 0.00 O ATOM 0 H GLY A 29 3.267 -5.294 1.287 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.981 -4.823 -1.459 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.375 -4.766 -0.760 1.00 0.00 H new ATOM 415 N ALA A 30 4.017 -2.338 -1.752 1.00 0.00 N ATOM 416 CA ALA A 30 4.006 -0.861 -1.909 1.00 0.00 C ATOM 417 C ALA A 30 3.040 -0.562 -3.043 1.00 0.00 C ATOM 418 O ALA A 30 3.293 -0.899 -4.180 1.00 0.00 O ATOM 419 CB ALA A 30 5.408 -0.323 -2.252 1.00 0.00 C ATOM 0 H ALA A 30 4.515 -2.853 -2.478 1.00 0.00 H new ATOM 0 HA ALA A 30 3.703 -0.379 -0.980 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.365 0.761 -2.360 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.102 -0.581 -1.452 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.750 -0.768 -3.187 1.00 0.00 H new ATOM 425 N ILE A 31 1.913 0.020 -2.746 1.00 0.00 N ATOM 426 CA ILE A 31 0.927 0.287 -3.826 1.00 0.00 C ATOM 427 C ILE A 31 0.711 1.793 -3.974 1.00 0.00 C ATOM 428 O ILE A 31 0.838 2.545 -3.035 1.00 0.00 O ATOM 429 CB ILE A 31 -0.403 -0.423 -3.503 1.00 0.00 C ATOM 430 CG1 ILE A 31 -1.182 0.338 -2.425 1.00 0.00 C ATOM 431 CG2 ILE A 31 -0.112 -1.834 -2.995 1.00 0.00 C ATOM 432 CD1 ILE A 31 -2.100 1.366 -3.090 1.00 0.00 C ATOM 0 H ILE A 31 1.634 0.320 -1.812 1.00 0.00 H new ATOM 0 HA ILE A 31 1.310 -0.101 -4.770 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.002 -0.460 -4.413 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.770 -0.358 -1.827 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.491 0.837 -1.746 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.050 -2.339 -2.766 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.423 -2.394 -3.762 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.499 -1.778 -2.094 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.655 1.908 -2.324 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.500 2.068 -3.669 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.800 0.855 -3.751 1.00 0.00 H new ATOM 444 N GLN A 32 0.371 2.232 -5.148 1.00 0.00 N ATOM 445 CA GLN A 32 0.127 3.681 -5.356 1.00 0.00 C ATOM 446 C GLN A 32 -1.356 3.866 -5.659 1.00 0.00 C ATOM 447 O GLN A 32 -2.061 2.912 -5.906 1.00 0.00 O ATOM 448 CB GLN A 32 0.963 4.179 -6.536 1.00 0.00 C ATOM 449 CG GLN A 32 2.207 4.898 -6.013 1.00 0.00 C ATOM 450 CD GLN A 32 3.397 4.579 -6.918 1.00 0.00 C ATOM 451 OE1 GLN A 32 3.942 3.494 -6.865 1.00 0.00 O ATOM 452 NE2 GLN A 32 3.826 5.485 -7.754 1.00 0.00 N ATOM 0 H GLN A 32 0.251 1.648 -5.976 1.00 0.00 H new ATOM 0 HA GLN A 32 0.407 4.248 -4.468 1.00 0.00 H new ATOM 0 HB2 GLN A 32 1.254 3.340 -7.169 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.372 4.855 -7.154 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.034 5.974 -5.987 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.419 4.584 -4.991 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.368 6.396 -7.798 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.619 5.282 -8.363 1.00 0.00 H new ATOM 461 N LEU A 33 -1.845 5.072 -5.641 1.00 0.00 N ATOM 462 CA LEU A 33 -3.286 5.278 -5.931 1.00 0.00 C ATOM 463 C LEU A 33 -3.500 6.647 -6.573 1.00 0.00 C ATOM 464 O LEU A 33 -2.925 7.634 -6.160 1.00 0.00 O ATOM 465 CB LEU A 33 -4.092 5.223 -4.631 1.00 0.00 C ATOM 466 CG LEU A 33 -4.477 3.777 -4.323 1.00 0.00 C ATOM 467 CD1 LEU A 33 -5.286 3.732 -3.023 1.00 0.00 C ATOM 468 CD2 LEU A 33 -5.331 3.213 -5.462 1.00 0.00 C ATOM 0 H LEU A 33 -1.312 5.918 -5.439 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.617 4.493 -6.610 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.505 5.636 -3.810 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.988 5.836 -4.722 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.571 3.181 -4.218 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.562 2.701 -2.802 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.684 4.130 -2.206 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.189 4.333 -3.135 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.603 2.182 -5.237 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.236 3.811 -5.569 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.763 3.244 -6.392 1.00 0.00 H new ATOM 480 N ASP A 34 -4.360 6.722 -7.547 1.00 0.00 N ATOM 481 CA ASP A 34 -4.652 8.029 -8.173 1.00 0.00 C ATOM 482 C ASP A 34 -5.841 8.602 -7.425 1.00 0.00 C ATOM 483 O ASP A 34 -6.455 7.903 -6.658 1.00 0.00 O ATOM 484 CB ASP A 34 -4.995 7.843 -9.653 1.00 0.00 C ATOM 485 CG ASP A 34 -5.134 9.211 -10.322 1.00 0.00 C ATOM 486 OD1 ASP A 34 -4.142 9.918 -10.391 1.00 0.00 O ATOM 487 OD2 ASP A 34 -6.231 9.531 -10.752 1.00 0.00 O ATOM 0 H ASP A 34 -4.872 5.930 -7.935 1.00 0.00 H new ATOM 0 HA ASP A 34 -3.791 8.696 -8.119 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.216 7.262 -10.147 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.924 7.281 -9.754 1.00 0.00 H new ATOM 492 N GLY A 35 -6.148 9.857 -7.616 1.00 0.00 N ATOM 493 CA GLY A 35 -7.286 10.491 -6.878 1.00 0.00 C ATOM 494 C GLY A 35 -8.569 9.647 -6.942 1.00 0.00 C ATOM 495 O GLY A 35 -9.454 9.808 -6.124 1.00 0.00 O ATOM 0 H GLY A 35 -5.656 10.479 -8.258 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.003 10.638 -5.836 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.482 11.478 -7.297 1.00 0.00 H new ATOM 499 N ASP A 36 -8.702 8.766 -7.896 1.00 0.00 N ATOM 500 CA ASP A 36 -9.956 7.952 -7.976 1.00 0.00 C ATOM 501 C ASP A 36 -9.788 6.630 -7.215 1.00 0.00 C ATOM 502 O ASP A 36 -10.592 5.727 -7.339 1.00 0.00 O ATOM 503 CB ASP A 36 -10.270 7.654 -9.444 1.00 0.00 C ATOM 504 CG ASP A 36 -11.232 8.712 -9.984 1.00 0.00 C ATOM 505 OD1 ASP A 36 -11.090 9.862 -9.604 1.00 0.00 O ATOM 506 OD2 ASP A 36 -12.096 8.354 -10.768 1.00 0.00 O ATOM 0 H ASP A 36 -8.007 8.573 -8.617 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.772 8.516 -7.525 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.351 7.650 -10.030 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.713 6.662 -9.538 1.00 0.00 H new ATOM 511 N GLY A 37 -8.754 6.509 -6.434 1.00 0.00 N ATOM 512 CA GLY A 37 -8.531 5.253 -5.668 1.00 0.00 C ATOM 513 C GLY A 37 -8.019 4.181 -6.629 1.00 0.00 C ATOM 514 O GLY A 37 -8.251 3.009 -6.430 1.00 0.00 O ATOM 0 H GLY A 37 -8.048 7.231 -6.292 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.809 5.420 -4.869 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.458 4.927 -5.197 1.00 0.00 H new ATOM 518 N ASN A 38 -7.367 4.568 -7.697 1.00 0.00 N ATOM 519 CA ASN A 38 -6.908 3.526 -8.684 1.00 0.00 C ATOM 520 C ASN A 38 -5.444 3.138 -8.464 1.00 0.00 C ATOM 521 O ASN A 38 -4.567 3.968 -8.421 1.00 0.00 O ATOM 522 CB ASN A 38 -7.072 4.062 -10.106 1.00 0.00 C ATOM 523 CG ASN A 38 -8.516 4.517 -10.318 1.00 0.00 C ATOM 524 OD1 ASN A 38 -9.443 3.851 -9.903 1.00 0.00 O ATOM 525 ND2 ASN A 38 -8.748 5.635 -10.950 1.00 0.00 N ATOM 0 H ASN A 38 -7.134 5.533 -7.930 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.522 2.637 -8.536 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.389 4.895 -10.273 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.814 3.289 -10.829 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -9.707 5.949 -11.095 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.970 6.195 -11.299 1.00 0.00 H new ATOM 532 N ILE A 39 -5.170 1.868 -8.344 1.00 0.00 N ATOM 533 CA ILE A 39 -3.762 1.424 -8.130 1.00 0.00 C ATOM 534 C ILE A 39 -2.872 1.877 -9.295 1.00 0.00 C ATOM 535 O ILE A 39 -3.198 1.713 -10.454 1.00 0.00 O ATOM 536 CB ILE A 39 -3.724 -0.124 -7.961 1.00 0.00 C ATOM 537 CG1 ILE A 39 -3.244 -0.458 -6.545 1.00 0.00 C ATOM 538 CG2 ILE A 39 -2.773 -0.805 -8.965 1.00 0.00 C ATOM 539 CD1 ILE A 39 -4.392 -0.257 -5.554 1.00 0.00 C ATOM 0 H ILE A 39 -5.860 1.118 -8.385 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.373 1.883 -7.221 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.732 -0.496 -8.144 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.890 -1.488 -6.503 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.402 0.179 -6.276 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.785 -1.883 -8.803 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.100 -0.587 -9.982 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.761 -0.427 -8.821 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.049 -0.495 -4.547 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.725 0.780 -5.588 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.221 -0.913 -5.820 1.00 0.00 H new ATOM 551 N LEU A 40 -1.726 2.401 -8.973 1.00 0.00 N ATOM 552 CA LEU A 40 -0.762 2.823 -10.026 1.00 0.00 C ATOM 553 C LEU A 40 0.376 1.797 -10.034 1.00 0.00 C ATOM 554 O LEU A 40 0.999 1.538 -11.045 1.00 0.00 O ATOM 555 CB LEU A 40 -0.189 4.212 -9.709 1.00 0.00 C ATOM 556 CG LEU A 40 -1.222 5.062 -8.963 1.00 0.00 C ATOM 557 CD1 LEU A 40 -0.628 6.436 -8.663 1.00 0.00 C ATOM 558 CD2 LEU A 40 -2.470 5.226 -9.829 1.00 0.00 C ATOM 0 H LEU A 40 -1.411 2.557 -8.015 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.261 2.875 -10.994 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.712 4.111 -9.104 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.102 4.711 -10.633 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.491 4.569 -8.029 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.362 7.042 -8.132 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.262 6.320 -8.045 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.359 6.928 -9.598 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.205 5.831 -9.298 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.202 5.719 -10.764 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.895 4.246 -10.044 1.00 0.00 H new ATOM 570 N GLN A 41 0.637 1.211 -8.893 1.00 0.00 N ATOM 571 CA GLN A 41 1.718 0.190 -8.779 1.00 0.00 C ATOM 572 C GLN A 41 1.374 -0.717 -7.570 1.00 0.00 C ATOM 573 O GLN A 41 0.550 -0.367 -6.752 1.00 0.00 O ATOM 574 CB GLN A 41 3.067 0.936 -8.626 1.00 0.00 C ATOM 575 CG GLN A 41 4.112 0.092 -7.889 1.00 0.00 C ATOM 576 CD GLN A 41 4.041 0.363 -6.384 1.00 0.00 C ATOM 577 OE1 GLN A 41 4.965 0.044 -5.662 1.00 0.00 O ATOM 578 NE2 GLN A 41 2.985 0.942 -5.866 1.00 0.00 N ATOM 0 H GLN A 41 0.138 1.401 -8.024 1.00 0.00 H new ATOM 0 HA GLN A 41 1.801 -0.447 -9.659 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.447 1.203 -9.612 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.906 1.868 -8.084 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.939 -0.966 -8.084 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.109 0.327 -8.262 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.206 1.212 -6.466 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.943 1.122 -4.863 1.00 0.00 H new ATOM 587 N TYR A 42 1.948 -1.892 -7.477 1.00 0.00 N ATOM 588 CA TYR A 42 1.598 -2.822 -6.348 1.00 0.00 C ATOM 589 C TYR A 42 2.852 -3.594 -5.894 1.00 0.00 C ATOM 590 O TYR A 42 3.267 -3.502 -4.751 1.00 0.00 O ATOM 591 CB TYR A 42 0.552 -3.817 -6.881 1.00 0.00 C ATOM 592 CG TYR A 42 -0.409 -4.290 -5.800 1.00 0.00 C ATOM 593 CD1 TYR A 42 -1.287 -3.391 -5.183 1.00 0.00 C ATOM 594 CD2 TYR A 42 -0.446 -5.648 -5.447 1.00 0.00 C ATOM 595 CE1 TYR A 42 -2.196 -3.848 -4.212 1.00 0.00 C ATOM 596 CE2 TYR A 42 -1.351 -6.102 -4.478 1.00 0.00 C ATOM 597 CZ TYR A 42 -2.225 -5.208 -3.860 1.00 0.00 C ATOM 598 OH TYR A 42 -3.119 -5.662 -2.899 1.00 0.00 O ATOM 0 H TYR A 42 2.643 -2.250 -8.131 1.00 0.00 H new ATOM 0 HA TYR A 42 1.209 -2.261 -5.498 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.014 -3.347 -7.685 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.062 -4.679 -7.311 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.266 -2.345 -5.453 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.226 -6.346 -5.924 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -2.872 -3.153 -3.737 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.372 -7.148 -4.209 1.00 0.00 H new ATOM 0 HH TYR A 42 -2.647 -6.234 -2.258 1.00 0.00 H new ATOM 608 N ASN A 43 3.422 -4.359 -6.806 1.00 0.00 N ATOM 609 CA ASN A 43 4.646 -5.204 -6.546 1.00 0.00 C ATOM 610 C ASN A 43 4.204 -6.660 -6.303 1.00 0.00 C ATOM 611 O ASN A 43 3.026 -6.954 -6.256 1.00 0.00 O ATOM 612 CB ASN A 43 5.518 -4.649 -5.388 1.00 0.00 C ATOM 613 CG ASN A 43 5.107 -5.221 -4.025 1.00 0.00 C ATOM 614 OD1 ASN A 43 4.014 -5.707 -3.862 1.00 0.00 O ATOM 615 ND2 ASN A 43 5.950 -5.170 -3.031 1.00 0.00 N ATOM 0 H ASN A 43 3.073 -4.435 -7.761 1.00 0.00 H new ATOM 0 HA ASN A 43 5.290 -5.171 -7.425 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.565 -4.886 -5.578 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.437 -3.562 -5.363 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.685 -5.540 -2.118 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.874 -4.760 -3.166 1.00 0.00 H new ATOM 622 N ALA A 44 5.128 -7.579 -6.188 1.00 0.00 N ATOM 623 CA ALA A 44 4.731 -9.010 -5.998 1.00 0.00 C ATOM 624 C ALA A 44 4.698 -9.401 -4.515 1.00 0.00 C ATOM 625 O ALA A 44 4.171 -10.439 -4.161 1.00 0.00 O ATOM 626 CB ALA A 44 5.729 -9.909 -6.733 1.00 0.00 C ATOM 0 H ALA A 44 6.133 -7.405 -6.217 1.00 0.00 H new ATOM 0 HA ALA A 44 3.727 -9.138 -6.402 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.446 -10.953 -6.599 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.724 -9.665 -7.795 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.729 -9.749 -6.329 1.00 0.00 H new ATOM 632 N ALA A 45 5.252 -8.607 -3.642 1.00 0.00 N ATOM 633 CA ALA A 45 5.236 -8.981 -2.194 1.00 0.00 C ATOM 634 C ALA A 45 3.793 -9.143 -1.714 1.00 0.00 C ATOM 635 O ALA A 45 3.371 -10.219 -1.340 1.00 0.00 O ATOM 636 CB ALA A 45 5.932 -7.895 -1.368 1.00 0.00 C ATOM 0 H ALA A 45 5.712 -7.723 -3.862 1.00 0.00 H new ATOM 0 HA ALA A 45 5.766 -9.925 -2.067 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.917 -8.174 -0.314 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.965 -7.790 -1.701 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.410 -6.947 -1.500 1.00 0.00 H new ATOM 642 N GLU A 46 3.037 -8.085 -1.709 1.00 0.00 N ATOM 643 CA GLU A 46 1.621 -8.188 -1.249 1.00 0.00 C ATOM 644 C GLU A 46 0.866 -9.165 -2.130 1.00 0.00 C ATOM 645 O GLU A 46 0.199 -10.049 -1.658 1.00 0.00 O ATOM 646 CB GLU A 46 0.924 -6.829 -1.331 1.00 0.00 C ATOM 647 CG GLU A 46 1.236 -6.144 -2.659 1.00 0.00 C ATOM 648 CD GLU A 46 0.864 -4.664 -2.575 1.00 0.00 C ATOM 649 OE1 GLU A 46 1.709 -3.846 -2.896 1.00 0.00 O ATOM 650 OE2 GLU A 46 -0.400 -4.348 -2.123 1.00 0.00 O ATOM 0 H GLU A 46 3.334 -7.154 -2.002 1.00 0.00 H new ATOM 0 HA GLU A 46 1.626 -8.532 -0.215 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.153 -6.960 -1.228 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.249 -6.197 -0.505 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.295 -6.250 -2.894 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.681 -6.623 -3.466 1.00 0.00 H new ATOM 658 N GLY A 47 0.960 -9.005 -3.410 1.00 0.00 N ATOM 659 CA GLY A 47 0.233 -9.932 -4.322 1.00 0.00 C ATOM 660 C GLY A 47 0.649 -11.375 -4.030 1.00 0.00 C ATOM 661 O GLY A 47 -0.037 -12.307 -4.392 1.00 0.00 O ATOM 0 H GLY A 47 1.506 -8.276 -3.870 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.843 -9.819 -4.188 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.453 -9.683 -5.360 1.00 0.00 H new ATOM 665 N ASP A 48 1.761 -11.577 -3.374 1.00 0.00 N ATOM 666 CA ASP A 48 2.182 -12.972 -3.063 1.00 0.00 C ATOM 667 C ASP A 48 1.327 -13.488 -1.905 1.00 0.00 C ATOM 668 O ASP A 48 0.928 -14.634 -1.871 1.00 0.00 O ATOM 669 CB ASP A 48 3.660 -12.994 -2.667 1.00 0.00 C ATOM 670 CG ASP A 48 4.489 -13.552 -3.825 1.00 0.00 C ATOM 671 OD1 ASP A 48 3.971 -14.384 -4.552 1.00 0.00 O ATOM 672 OD2 ASP A 48 5.626 -13.137 -3.966 1.00 0.00 O ATOM 0 H ASP A 48 2.389 -10.844 -3.044 1.00 0.00 H new ATOM 0 HA ASP A 48 2.047 -13.606 -3.939 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.996 -11.988 -2.417 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.800 -13.607 -1.777 1.00 0.00 H new ATOM 677 N ILE A 49 1.042 -12.639 -0.955 1.00 0.00 N ATOM 678 CA ILE A 49 0.212 -13.057 0.208 1.00 0.00 C ATOM 679 C ILE A 49 -1.274 -13.058 -0.201 1.00 0.00 C ATOM 680 O ILE A 49 -1.948 -14.067 -0.130 1.00 0.00 O ATOM 681 CB ILE A 49 0.508 -12.091 1.378 1.00 0.00 C ATOM 682 CG1 ILE A 49 1.161 -12.870 2.523 1.00 0.00 C ATOM 683 CG2 ILE A 49 -0.746 -11.375 1.905 1.00 0.00 C ATOM 684 CD1 ILE A 49 0.159 -13.871 3.106 1.00 0.00 C ATOM 0 H ILE A 49 1.351 -11.667 -0.936 1.00 0.00 H new ATOM 0 HA ILE A 49 0.453 -14.069 0.532 1.00 0.00 H new ATOM 0 HB ILE A 49 1.177 -11.321 0.993 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.045 -13.395 2.160 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.495 -12.182 3.299 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.469 -10.712 2.725 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.196 -10.791 1.102 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.464 -12.114 2.262 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.628 -14.423 3.920 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.712 -13.336 3.485 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.154 -14.568 2.328 1.00 0.00 H new ATOM 696 N THR A 50 -1.784 -11.930 -0.616 1.00 0.00 N ATOM 697 CA THR A 50 -3.223 -11.853 -1.022 1.00 0.00 C ATOM 698 C THR A 50 -3.415 -12.432 -2.427 1.00 0.00 C ATOM 699 O THR A 50 -4.529 -12.596 -2.884 1.00 0.00 O ATOM 700 CB THR A 50 -3.683 -10.388 -1.050 1.00 0.00 C ATOM 701 OG1 THR A 50 -3.131 -9.746 -2.182 1.00 0.00 O ATOM 702 CG2 THR A 50 -3.223 -9.649 0.197 1.00 0.00 C ATOM 0 H THR A 50 -1.267 -11.054 -0.693 1.00 0.00 H new ATOM 0 HA THR A 50 -3.806 -12.424 -0.299 1.00 0.00 H new ATOM 0 HB THR A 50 -4.772 -10.373 -1.091 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.153 -9.775 -2.130 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.562 -8.614 0.152 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.642 -10.130 1.081 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.135 -9.673 0.253 1.00 0.00 H new ATOM 710 N GLY A 51 -2.354 -12.715 -3.133 1.00 0.00 N ATOM 711 CA GLY A 51 -2.514 -13.243 -4.515 1.00 0.00 C ATOM 712 C GLY A 51 -2.779 -12.072 -5.478 1.00 0.00 C ATOM 713 O GLY A 51 -2.909 -12.256 -6.671 1.00 0.00 O ATOM 0 H GLY A 51 -1.391 -12.604 -2.815 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.616 -13.782 -4.817 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.340 -13.954 -4.552 1.00 0.00 H new ATOM 717 N ARG A 52 -2.868 -10.869 -4.963 1.00 0.00 N ATOM 718 CA ARG A 52 -3.133 -9.686 -5.827 1.00 0.00 C ATOM 719 C ARG A 52 -1.881 -9.334 -6.625 1.00 0.00 C ATOM 720 O ARG A 52 -1.104 -8.485 -6.238 1.00 0.00 O ATOM 721 CB ARG A 52 -3.519 -8.498 -4.944 1.00 0.00 C ATOM 722 CG ARG A 52 -5.042 -8.437 -4.813 1.00 0.00 C ATOM 723 CD ARG A 52 -5.486 -7.045 -4.361 1.00 0.00 C ATOM 724 NE ARG A 52 -6.284 -7.158 -3.097 1.00 0.00 N ATOM 725 CZ ARG A 52 -7.399 -7.868 -3.089 1.00 0.00 C ATOM 726 NH1 ARG A 52 -7.913 -8.322 -4.209 1.00 0.00 N ATOM 727 NH2 ARG A 52 -8.019 -8.118 -1.968 1.00 0.00 N ATOM 0 H ARG A 52 -2.767 -10.659 -3.970 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.944 -9.917 -6.517 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.062 -8.599 -3.960 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.143 -7.571 -5.377 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.505 -8.680 -5.769 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.381 -9.184 -4.096 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.615 -6.410 -4.198 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.084 -6.572 -5.140 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.968 -6.690 -2.248 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.451 -8.128 -5.098 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.774 -8.869 -4.190 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.644 -7.765 -1.088 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.879 -8.667 -1.972 1.00 0.00 H new ATOM 741 N ASP A 53 -1.685 -9.975 -7.740 1.00 0.00 N ATOM 742 CA ASP A 53 -0.485 -9.672 -8.571 1.00 0.00 C ATOM 743 C ASP A 53 -0.441 -8.166 -8.869 1.00 0.00 C ATOM 744 O ASP A 53 -1.361 -7.451 -8.529 1.00 0.00 O ATOM 745 CB ASP A 53 -0.559 -10.450 -9.886 1.00 0.00 C ATOM 746 CG ASP A 53 0.607 -11.440 -9.957 1.00 0.00 C ATOM 747 OD1 ASP A 53 1.006 -11.931 -8.914 1.00 0.00 O ATOM 748 OD2 ASP A 53 1.081 -11.687 -11.054 1.00 0.00 O ATOM 0 H ASP A 53 -2.302 -10.696 -8.114 1.00 0.00 H new ATOM 0 HA ASP A 53 0.415 -9.965 -8.030 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.508 -10.983 -9.953 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.519 -9.763 -10.731 1.00 0.00 H new ATOM 753 N PRO A 54 0.629 -7.719 -9.487 1.00 0.00 N ATOM 754 CA PRO A 54 0.800 -6.293 -9.822 1.00 0.00 C ATOM 755 C PRO A 54 -0.026 -5.920 -11.058 1.00 0.00 C ATOM 756 O PRO A 54 -0.497 -4.808 -11.186 1.00 0.00 O ATOM 757 CB PRO A 54 2.299 -6.168 -10.107 1.00 0.00 C ATOM 758 CG PRO A 54 2.795 -7.587 -10.476 1.00 0.00 C ATOM 759 CD PRO A 54 1.761 -8.577 -9.910 1.00 0.00 C ATOM 0 HA PRO A 54 0.463 -5.627 -9.028 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.482 -5.469 -10.923 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.829 -5.786 -9.235 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.885 -7.697 -11.557 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.782 -7.774 -10.053 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.451 -9.303 -10.662 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.168 -9.142 -9.071 1.00 0.00 H new ATOM 767 N LYS A 55 -0.197 -6.835 -11.971 1.00 0.00 N ATOM 768 CA LYS A 55 -0.982 -6.526 -13.197 1.00 0.00 C ATOM 769 C LYS A 55 -2.479 -6.636 -12.901 1.00 0.00 C ATOM 770 O LYS A 55 -3.284 -5.919 -13.462 1.00 0.00 O ATOM 771 CB LYS A 55 -0.610 -7.518 -14.300 1.00 0.00 C ATOM 772 CG LYS A 55 -0.890 -6.893 -15.668 1.00 0.00 C ATOM 773 CD LYS A 55 -0.005 -7.559 -16.723 1.00 0.00 C ATOM 774 CE LYS A 55 -0.743 -7.588 -18.064 1.00 0.00 C ATOM 775 NZ LYS A 55 -1.133 -6.201 -18.444 1.00 0.00 N ATOM 0 H LYS A 55 0.174 -7.784 -11.920 1.00 0.00 H new ATOM 0 HA LYS A 55 -0.755 -5.510 -13.521 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.443 -7.787 -14.221 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.184 -8.438 -14.185 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.941 -7.017 -15.928 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.694 -5.821 -15.637 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.933 -7.013 -16.824 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.248 -8.573 -16.413 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.105 -8.022 -18.834 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.628 -8.219 -17.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.400 -6.178 -19.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.941 -5.896 -17.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.331 -5.559 -18.284 1.00 0.00 H new ATOM 789 N GLN A 56 -2.863 -7.530 -12.036 1.00 0.00 N ATOM 790 CA GLN A 56 -4.310 -7.683 -11.720 1.00 0.00 C ATOM 791 C GLN A 56 -4.787 -6.484 -10.901 1.00 0.00 C ATOM 792 O GLN A 56 -5.850 -5.946 -11.137 1.00 0.00 O ATOM 793 CB GLN A 56 -4.529 -8.967 -10.922 1.00 0.00 C ATOM 794 CG GLN A 56 -5.819 -9.643 -11.388 1.00 0.00 C ATOM 795 CD GLN A 56 -6.046 -10.922 -10.583 1.00 0.00 C ATOM 796 OE1 GLN A 56 -6.204 -10.877 -9.381 1.00 0.00 O ATOM 797 NE2 GLN A 56 -6.067 -12.072 -11.201 1.00 0.00 N ATOM 0 H GLN A 56 -2.239 -8.161 -11.534 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.877 -7.734 -12.649 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -3.683 -9.641 -11.058 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.589 -8.741 -9.857 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.663 -8.966 -11.260 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.756 -9.876 -12.451 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.934 -12.110 -12.212 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -6.216 -12.932 -10.673 1.00 0.00 H new ATOM 806 N VAL A 57 -4.009 -6.057 -9.945 1.00 0.00 N ATOM 807 CA VAL A 57 -4.424 -4.888 -9.118 1.00 0.00 C ATOM 808 C VAL A 57 -4.406 -3.619 -9.964 1.00 0.00 C ATOM 809 O VAL A 57 -4.862 -2.581 -9.536 1.00 0.00 O ATOM 810 CB VAL A 57 -3.465 -4.712 -7.947 1.00 0.00 C ATOM 811 CG1 VAL A 57 -3.595 -5.906 -7.011 1.00 0.00 C ATOM 812 CG2 VAL A 57 -2.032 -4.613 -8.475 1.00 0.00 C ATOM 0 H VAL A 57 -3.107 -6.465 -9.701 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.432 -5.067 -8.744 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.707 -3.800 -7.402 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.911 -5.786 -6.171 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.618 -5.968 -6.640 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.349 -6.820 -7.551 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.344 -4.487 -7.639 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.780 -5.524 -9.018 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.949 -3.757 -9.145 1.00 0.00 H new ATOM 822 N ILE A 58 -3.884 -3.684 -11.158 1.00 0.00 N ATOM 823 CA ILE A 58 -3.859 -2.469 -12.009 1.00 0.00 C ATOM 824 C ILE A 58 -5.296 -2.163 -12.435 1.00 0.00 C ATOM 825 O ILE A 58 -5.983 -2.992 -12.999 1.00 0.00 O ATOM 826 CB ILE A 58 -2.919 -2.714 -13.212 1.00 0.00 C ATOM 827 CG1 ILE A 58 -1.602 -2.000 -12.927 1.00 0.00 C ATOM 828 CG2 ILE A 58 -3.502 -2.173 -14.529 1.00 0.00 C ATOM 829 CD1 ILE A 58 -0.521 -2.527 -13.871 1.00 0.00 C ATOM 0 H ILE A 58 -3.477 -4.521 -11.576 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.471 -1.604 -11.471 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.784 -3.789 -13.332 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.723 -0.925 -13.060 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.305 -2.162 -11.891 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.805 -2.369 -15.343 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.451 -2.667 -14.737 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.664 -1.099 -14.441 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.420 -2.017 -13.667 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.394 -3.598 -13.716 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.818 -2.342 -14.903 1.00 0.00 H new ATOM 841 N GLY A 59 -5.758 -0.986 -12.135 1.00 0.00 N ATOM 842 CA GLY A 59 -7.163 -0.625 -12.481 1.00 0.00 C ATOM 843 C GLY A 59 -8.084 -1.035 -11.322 1.00 0.00 C ATOM 844 O GLY A 59 -9.220 -0.613 -11.239 1.00 0.00 O ATOM 0 H GLY A 59 -5.225 -0.254 -11.664 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.242 0.447 -12.664 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.466 -1.128 -13.399 1.00 0.00 H new ATOM 848 N LYS A 60 -7.594 -1.853 -10.421 1.00 0.00 N ATOM 849 CA LYS A 60 -8.419 -2.293 -9.264 1.00 0.00 C ATOM 850 C LYS A 60 -8.433 -1.192 -8.212 1.00 0.00 C ATOM 851 O LYS A 60 -7.400 -0.713 -7.786 1.00 0.00 O ATOM 852 CB LYS A 60 -7.804 -3.554 -8.643 1.00 0.00 C ATOM 853 CG LYS A 60 -7.781 -4.676 -9.681 1.00 0.00 C ATOM 854 CD LYS A 60 -9.213 -4.993 -10.116 1.00 0.00 C ATOM 855 CE LYS A 60 -9.258 -6.377 -10.766 1.00 0.00 C ATOM 856 NZ LYS A 60 -10.604 -6.595 -11.369 1.00 0.00 N ATOM 0 H LYS A 60 -6.648 -2.235 -10.443 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.433 -2.504 -9.604 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.792 -3.345 -8.296 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.382 -3.862 -7.772 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.185 -4.377 -10.543 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.311 -5.565 -9.261 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.880 -4.963 -9.255 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.566 -4.238 -10.819 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.487 -6.457 -11.532 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.051 -7.147 -10.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.638 -7.535 -11.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.331 -6.535 -10.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.784 -5.867 -12.089 1.00 0.00 H new ATOM 870 N ASN A 61 -9.591 -0.790 -7.780 1.00 0.00 N ATOM 871 CA ASN A 61 -9.658 0.272 -6.747 1.00 0.00 C ATOM 872 C ASN A 61 -9.092 -0.282 -5.438 1.00 0.00 C ATOM 873 O ASN A 61 -9.499 -1.328 -4.974 1.00 0.00 O ATOM 874 CB ASN A 61 -11.115 0.688 -6.539 1.00 0.00 C ATOM 875 CG ASN A 61 -11.259 2.195 -6.765 1.00 0.00 C ATOM 876 OD1 ASN A 61 -11.682 2.914 -5.882 1.00 0.00 O ATOM 877 ND2 ASN A 61 -10.926 2.707 -7.919 1.00 0.00 N ATOM 0 H ASN A 61 -10.491 -1.150 -8.097 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.080 1.140 -7.065 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.761 0.144 -7.228 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.437 0.430 -5.530 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.021 3.710 -8.078 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.571 2.104 -8.661 1.00 0.00 H new ATOM 884 N PHE A 62 -8.159 0.401 -4.833 1.00 0.00 N ATOM 885 CA PHE A 62 -7.588 -0.108 -3.551 1.00 0.00 C ATOM 886 C PHE A 62 -8.682 -0.181 -2.483 1.00 0.00 C ATOM 887 O PHE A 62 -8.498 -0.776 -1.438 1.00 0.00 O ATOM 888 CB PHE A 62 -6.491 0.826 -3.050 1.00 0.00 C ATOM 889 CG PHE A 62 -5.921 0.241 -1.781 1.00 0.00 C ATOM 890 CD1 PHE A 62 -4.919 -0.729 -1.853 1.00 0.00 C ATOM 891 CD2 PHE A 62 -6.412 0.653 -0.538 1.00 0.00 C ATOM 892 CE1 PHE A 62 -4.402 -1.289 -0.678 1.00 0.00 C ATOM 893 CE2 PHE A 62 -5.896 0.096 0.637 1.00 0.00 C ATOM 894 CZ PHE A 62 -4.890 -0.876 0.568 1.00 0.00 C ATOM 0 H PHE A 62 -7.769 1.283 -5.166 1.00 0.00 H new ATOM 0 HA PHE A 62 -7.174 -1.100 -3.734 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.711 0.935 -3.803 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.894 1.821 -2.863 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -4.543 -1.047 -2.814 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.189 1.401 -0.485 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.627 -2.039 -0.733 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.273 0.415 1.597 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.491 -1.307 1.475 1.00 0.00 H new ATOM 904 N PHE A 63 -9.802 0.439 -2.714 1.00 0.00 N ATOM 905 CA PHE A 63 -10.879 0.425 -1.682 1.00 0.00 C ATOM 906 C PHE A 63 -12.157 -0.230 -2.225 1.00 0.00 C ATOM 907 O PHE A 63 -13.178 -0.240 -1.566 1.00 0.00 O ATOM 908 CB PHE A 63 -11.182 1.866 -1.265 1.00 0.00 C ATOM 909 CG PHE A 63 -9.927 2.499 -0.712 1.00 0.00 C ATOM 910 CD1 PHE A 63 -9.544 2.249 0.611 1.00 0.00 C ATOM 911 CD2 PHE A 63 -9.142 3.328 -1.523 1.00 0.00 C ATOM 912 CE1 PHE A 63 -8.379 2.828 1.123 1.00 0.00 C ATOM 913 CE2 PHE A 63 -7.973 3.906 -1.010 1.00 0.00 C ATOM 914 CZ PHE A 63 -7.592 3.656 0.313 1.00 0.00 C ATOM 0 H PHE A 63 -10.021 0.953 -3.567 1.00 0.00 H new ATOM 0 HA PHE A 63 -10.537 -0.156 -0.825 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -11.544 2.436 -2.121 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -11.972 1.881 -0.514 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -10.149 1.609 1.236 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -9.437 3.522 -2.544 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.086 2.636 2.145 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.366 4.544 -1.635 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.691 4.101 0.709 1.00 0.00 H new ATOM 924 N LYS A 64 -12.122 -0.774 -3.411 1.00 0.00 N ATOM 925 CA LYS A 64 -13.350 -1.416 -3.965 1.00 0.00 C ATOM 926 C LYS A 64 -12.959 -2.536 -4.932 1.00 0.00 C ATOM 927 O LYS A 64 -13.486 -2.634 -6.024 1.00 0.00 O ATOM 928 CB LYS A 64 -14.182 -0.367 -4.705 1.00 0.00 C ATOM 929 CG LYS A 64 -15.317 0.111 -3.798 1.00 0.00 C ATOM 930 CD LYS A 64 -15.781 1.498 -4.246 1.00 0.00 C ATOM 931 CE LYS A 64 -17.178 1.772 -3.687 1.00 0.00 C ATOM 932 NZ LYS A 64 -17.163 3.045 -2.912 1.00 0.00 N ATOM 0 H LYS A 64 -11.302 -0.802 -4.018 1.00 0.00 H new ATOM 0 HA LYS A 64 -13.936 -1.837 -3.148 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -13.553 0.475 -4.994 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.589 -0.791 -5.623 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -16.149 -0.592 -3.838 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -14.978 0.146 -2.762 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.082 2.258 -3.896 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.795 1.555 -5.334 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -17.900 1.838 -4.501 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -17.493 0.948 -3.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.113 3.231 -2.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.485 2.966 -2.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -16.880 3.828 -3.536 1.00 0.00 H new ATOM 946 N ASP A 65 -12.042 -3.382 -4.534 1.00 0.00 N ATOM 947 CA ASP A 65 -11.599 -4.511 -5.417 1.00 0.00 C ATOM 948 C ASP A 65 -10.271 -5.079 -4.902 1.00 0.00 C ATOM 949 O ASP A 65 -9.916 -6.205 -5.188 1.00 0.00 O ATOM 950 CB ASP A 65 -11.393 -4.014 -6.856 1.00 0.00 C ATOM 951 CG ASP A 65 -12.429 -4.665 -7.773 1.00 0.00 C ATOM 952 OD1 ASP A 65 -12.464 -5.883 -7.826 1.00 0.00 O ATOM 953 OD2 ASP A 65 -13.170 -3.932 -8.409 1.00 0.00 O ATOM 0 H ASP A 65 -11.576 -3.340 -3.628 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.369 -5.282 -5.404 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -11.488 -2.929 -6.895 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -10.386 -4.258 -7.196 1.00 0.00 H new ATOM 958 N VAL A 66 -9.529 -4.304 -4.159 1.00 0.00 N ATOM 959 CA VAL A 66 -8.222 -4.777 -3.638 1.00 0.00 C ATOM 960 C VAL A 66 -8.323 -4.906 -2.131 1.00 0.00 C ATOM 961 O VAL A 66 -7.637 -5.682 -1.510 1.00 0.00 O ATOM 962 CB VAL A 66 -7.179 -3.721 -3.964 1.00 0.00 C ATOM 963 CG1 VAL A 66 -5.771 -4.215 -3.650 1.00 0.00 C ATOM 964 CG2 VAL A 66 -7.260 -3.390 -5.441 1.00 0.00 C ATOM 0 H VAL A 66 -9.779 -3.352 -3.889 1.00 0.00 H new ATOM 0 HA VAL A 66 -7.953 -5.736 -4.081 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.381 -2.840 -3.354 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.049 -3.436 -3.895 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.698 -4.457 -2.590 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.558 -5.106 -4.241 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.515 -2.633 -5.686 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.069 -4.289 -6.026 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -8.254 -3.010 -5.675 1.00 0.00 H new ATOM 974 N ALA A 67 -9.157 -4.120 -1.532 1.00 0.00 N ATOM 975 CA ALA A 67 -9.273 -4.179 -0.063 1.00 0.00 C ATOM 976 C ALA A 67 -10.610 -3.573 0.381 1.00 0.00 C ATOM 977 O ALA A 67 -10.706 -2.375 0.558 1.00 0.00 O ATOM 978 CB ALA A 67 -8.116 -3.385 0.522 1.00 0.00 C ATOM 0 H ALA A 67 -9.762 -3.441 -1.995 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.238 -5.212 0.284 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.172 -3.408 1.610 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.173 -3.824 0.198 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.173 -2.352 0.178 1.00 0.00 H new ATOM 984 N PRO A 68 -11.606 -4.416 0.567 1.00 0.00 N ATOM 985 CA PRO A 68 -12.935 -3.963 1.009 1.00 0.00 C ATOM 986 C PRO A 68 -12.886 -3.639 2.504 1.00 0.00 C ATOM 987 O PRO A 68 -13.728 -2.938 3.031 1.00 0.00 O ATOM 988 CB PRO A 68 -13.844 -5.162 0.728 1.00 0.00 C ATOM 989 CG PRO A 68 -12.923 -6.403 0.677 1.00 0.00 C ATOM 990 CD PRO A 68 -11.508 -5.883 0.365 1.00 0.00 C ATOM 0 HA PRO A 68 -13.284 -3.062 0.504 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -14.598 -5.269 1.508 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.376 -5.034 -0.215 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -12.939 -6.938 1.627 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -13.257 -7.103 -0.089 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.765 -6.327 1.028 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.211 -6.125 -0.655 1.00 0.00 H new ATOM 998 N CYS A 69 -11.891 -4.142 3.186 1.00 0.00 N ATOM 999 CA CYS A 69 -11.758 -3.871 4.640 1.00 0.00 C ATOM 1000 C CYS A 69 -11.151 -2.473 4.845 1.00 0.00 C ATOM 1001 O CYS A 69 -11.269 -1.881 5.898 1.00 0.00 O ATOM 1002 CB CYS A 69 -10.843 -4.939 5.256 1.00 0.00 C ATOM 1003 SG CYS A 69 -9.130 -4.692 4.702 1.00 0.00 S ATOM 0 H CYS A 69 -11.160 -4.734 2.791 1.00 0.00 H new ATOM 0 HA CYS A 69 -12.735 -3.905 5.122 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -10.892 -4.887 6.344 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -11.186 -5.933 4.968 1.00 0.00 H new ATOM 1008 N THR A 70 -10.495 -1.951 3.839 1.00 0.00 N ATOM 1009 CA THR A 70 -9.869 -0.605 3.967 1.00 0.00 C ATOM 1010 C THR A 70 -10.923 0.486 3.756 1.00 0.00 C ATOM 1011 O THR A 70 -10.608 1.659 3.722 1.00 0.00 O ATOM 1012 CB THR A 70 -8.760 -0.455 2.922 1.00 0.00 C ATOM 1013 OG1 THR A 70 -9.293 -0.701 1.626 1.00 0.00 O ATOM 1014 CG2 THR A 70 -7.643 -1.457 3.216 1.00 0.00 C ATOM 0 H THR A 70 -10.367 -2.402 2.933 1.00 0.00 H new ATOM 0 HA THR A 70 -9.446 -0.502 4.966 1.00 0.00 H new ATOM 0 HB THR A 70 -8.357 0.557 2.962 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.636 -1.618 1.582 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.853 -1.350 2.472 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.235 -1.266 4.208 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.043 -2.470 3.177 1.00 0.00 H new ATOM 1022 N ASP A 71 -12.172 0.121 3.623 1.00 0.00 N ATOM 1023 CA ASP A 71 -13.227 1.151 3.434 1.00 0.00 C ATOM 1024 C ASP A 71 -13.734 1.581 4.811 1.00 0.00 C ATOM 1025 O ASP A 71 -14.916 1.562 5.089 1.00 0.00 O ATOM 1026 CB ASP A 71 -14.381 0.564 2.614 1.00 0.00 C ATOM 1027 CG ASP A 71 -14.933 1.625 1.656 1.00 0.00 C ATOM 1028 OD1 ASP A 71 -14.423 2.734 1.664 1.00 0.00 O ATOM 1029 OD2 ASP A 71 -15.859 1.309 0.928 1.00 0.00 O ATOM 0 H ASP A 71 -12.503 -0.844 3.638 1.00 0.00 H new ATOM 0 HA ASP A 71 -12.821 2.011 2.901 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -14.034 -0.302 2.050 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -15.171 0.216 3.279 1.00 0.00 H new ATOM 1034 N SER A 72 -12.834 1.959 5.674 1.00 0.00 N ATOM 1035 CA SER A 72 -13.227 2.386 7.043 1.00 0.00 C ATOM 1036 C SER A 72 -12.652 3.790 7.304 1.00 0.00 C ATOM 1037 O SER A 72 -12.026 4.352 6.429 1.00 0.00 O ATOM 1038 CB SER A 72 -12.677 1.368 8.050 1.00 0.00 C ATOM 1039 OG SER A 72 -11.400 1.788 8.510 1.00 0.00 O ATOM 0 H SER A 72 -11.832 1.990 5.486 1.00 0.00 H new ATOM 0 HA SER A 72 -14.311 2.428 7.146 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.362 1.269 8.892 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.601 0.386 7.583 1.00 0.00 H new ATOM 0 HG SER A 72 -11.053 1.136 9.154 1.00 0.00 H new ATOM 1045 N PRO A 73 -12.892 4.331 8.485 1.00 0.00 N ATOM 1046 CA PRO A 73 -12.415 5.684 8.842 1.00 0.00 C ATOM 1047 C PRO A 73 -10.928 5.676 9.226 1.00 0.00 C ATOM 1048 O PRO A 73 -10.304 6.713 9.329 1.00 0.00 O ATOM 1049 CB PRO A 73 -13.286 6.065 10.043 1.00 0.00 C ATOM 1050 CG PRO A 73 -13.797 4.741 10.656 1.00 0.00 C ATOM 1051 CD PRO A 73 -13.652 3.662 9.565 1.00 0.00 C ATOM 0 HA PRO A 73 -12.495 6.387 8.013 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -12.711 6.634 10.774 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.119 6.695 9.733 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.219 4.476 11.541 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -14.836 4.836 10.971 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.122 2.786 9.940 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -14.625 3.319 9.213 1.00 0.00 H new ATOM 1059 N GLU A 74 -10.354 4.527 9.443 1.00 0.00 N ATOM 1060 CA GLU A 74 -8.916 4.482 9.816 1.00 0.00 C ATOM 1061 C GLU A 74 -8.068 4.224 8.572 1.00 0.00 C ATOM 1062 O GLU A 74 -6.916 4.603 8.501 1.00 0.00 O ATOM 1063 CB GLU A 74 -8.680 3.362 10.822 1.00 0.00 C ATOM 1064 CG GLU A 74 -9.711 3.457 11.948 1.00 0.00 C ATOM 1065 CD GLU A 74 -10.471 2.134 12.057 1.00 0.00 C ATOM 1066 OE1 GLU A 74 -9.866 1.104 11.805 1.00 0.00 O ATOM 1067 OE2 GLU A 74 -11.643 2.173 12.390 1.00 0.00 O ATOM 0 H GLU A 74 -10.817 3.621 9.378 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.634 5.437 10.259 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.755 2.394 10.327 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.672 3.434 11.231 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.215 3.682 12.892 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.406 4.273 11.751 1.00 0.00 H new ATOM 1074 N PHE A 75 -8.630 3.582 7.589 1.00 0.00 N ATOM 1075 CA PHE A 75 -7.864 3.302 6.346 1.00 0.00 C ATOM 1076 C PHE A 75 -8.271 4.325 5.280 1.00 0.00 C ATOM 1077 O PHE A 75 -7.530 5.239 4.963 1.00 0.00 O ATOM 1078 CB PHE A 75 -8.180 1.886 5.859 1.00 0.00 C ATOM 1079 CG PHE A 75 -6.918 1.236 5.348 1.00 0.00 C ATOM 1080 CD1 PHE A 75 -6.353 1.667 4.144 1.00 0.00 C ATOM 1081 CD2 PHE A 75 -6.312 0.203 6.075 1.00 0.00 C ATOM 1082 CE1 PHE A 75 -5.185 1.066 3.664 1.00 0.00 C ATOM 1083 CE2 PHE A 75 -5.142 -0.397 5.595 1.00 0.00 C ATOM 1084 CZ PHE A 75 -4.579 0.034 4.389 1.00 0.00 C ATOM 0 H PHE A 75 -9.590 3.238 7.593 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.794 3.377 6.539 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.602 1.296 6.673 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.930 1.921 5.068 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.819 2.465 3.584 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.747 -0.130 7.005 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.750 1.399 2.733 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.674 -1.193 6.156 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.677 -0.430 4.018 1.00 0.00 H new ATOM 1094 N TYR A 76 -9.455 4.199 4.740 1.00 0.00 N ATOM 1095 CA TYR A 76 -9.894 5.183 3.716 1.00 0.00 C ATOM 1096 C TYR A 76 -10.192 6.514 4.400 1.00 0.00 C ATOM 1097 O TYR A 76 -10.232 7.540 3.768 1.00 0.00 O ATOM 1098 CB TYR A 76 -11.150 4.682 2.998 1.00 0.00 C ATOM 1099 CG TYR A 76 -11.316 5.432 1.693 1.00 0.00 C ATOM 1100 CD1 TYR A 76 -10.223 5.595 0.832 1.00 0.00 C ATOM 1101 CD2 TYR A 76 -12.564 5.963 1.345 1.00 0.00 C ATOM 1102 CE1 TYR A 76 -10.376 6.288 -0.377 1.00 0.00 C ATOM 1103 CE2 TYR A 76 -12.717 6.657 0.137 1.00 0.00 C ATOM 1104 CZ TYR A 76 -11.624 6.819 -0.724 1.00 0.00 C ATOM 1105 OH TYR A 76 -11.777 7.501 -1.913 1.00 0.00 O ATOM 0 H TYR A 76 -10.128 3.465 4.962 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.100 5.312 2.980 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.071 3.612 2.808 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -12.026 4.830 3.629 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.260 5.186 1.100 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -13.408 5.838 2.007 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.532 6.412 -1.040 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -13.679 7.068 -0.131 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.705 7.803 -2.000 1.00 0.00 H new ATOM 1115 N GLY A 77 -10.399 6.506 5.689 1.00 0.00 N ATOM 1116 CA GLY A 77 -10.674 7.778 6.412 1.00 0.00 C ATOM 1117 C GLY A 77 -9.452 8.685 6.332 1.00 0.00 C ATOM 1118 O GLY A 77 -9.512 9.791 5.831 1.00 0.00 O ATOM 0 H GLY A 77 -10.389 5.670 6.273 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.539 8.277 5.975 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.918 7.571 7.454 1.00 0.00 H new ATOM 1122 N LYS A 78 -8.342 8.222 6.837 1.00 0.00 N ATOM 1123 CA LYS A 78 -7.106 9.054 6.810 1.00 0.00 C ATOM 1124 C LYS A 78 -6.662 9.281 5.369 1.00 0.00 C ATOM 1125 O LYS A 78 -5.853 10.138 5.087 1.00 0.00 O ATOM 1126 CB LYS A 78 -6.002 8.355 7.611 1.00 0.00 C ATOM 1127 CG LYS A 78 -6.592 7.713 8.882 1.00 0.00 C ATOM 1128 CD LYS A 78 -7.674 8.617 9.497 1.00 0.00 C ATOM 1129 CE LYS A 78 -7.554 8.598 11.022 1.00 0.00 C ATOM 1130 NZ LYS A 78 -6.392 9.435 11.437 1.00 0.00 N ATOM 0 H LYS A 78 -8.237 7.303 7.267 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.310 10.024 7.263 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.525 7.591 6.997 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.229 9.074 7.883 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.019 6.740 8.639 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.799 7.540 9.610 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.564 9.636 9.126 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.664 8.273 9.196 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.470 8.978 11.475 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.424 7.575 11.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.471 9.662 12.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.509 8.912 11.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.384 10.316 10.884 1.00 0.00 H new ATOM 1144 N PHE A 79 -7.193 8.527 4.457 1.00 0.00 N ATOM 1145 CA PHE A 79 -6.830 8.699 3.035 1.00 0.00 C ATOM 1146 C PHE A 79 -7.694 9.795 2.421 1.00 0.00 C ATOM 1147 O PHE A 79 -7.244 10.549 1.598 1.00 0.00 O ATOM 1148 CB PHE A 79 -7.082 7.378 2.324 1.00 0.00 C ATOM 1149 CG PHE A 79 -6.963 7.520 0.817 1.00 0.00 C ATOM 1150 CD1 PHE A 79 -8.015 8.094 0.091 1.00 0.00 C ATOM 1151 CD2 PHE A 79 -5.823 7.056 0.143 1.00 0.00 C ATOM 1152 CE1 PHE A 79 -7.930 8.202 -1.301 1.00 0.00 C ATOM 1153 CE2 PHE A 79 -5.743 7.168 -1.245 1.00 0.00 C ATOM 1154 CZ PHE A 79 -6.794 7.736 -1.967 1.00 0.00 C ATOM 0 H PHE A 79 -7.873 7.789 4.641 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.783 8.984 2.936 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.369 6.633 2.677 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -8.077 7.012 2.578 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.893 8.454 0.607 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.009 6.613 0.698 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.741 8.645 -1.860 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.864 6.814 -1.763 1.00 0.00 H new ATOM 0 HZ PHE A 79 -6.729 7.815 -3.042 1.00 0.00 H new ATOM 1164 N LYS A 80 -8.929 9.891 2.816 1.00 0.00 N ATOM 1165 CA LYS A 80 -9.801 10.939 2.253 1.00 0.00 C ATOM 1166 C LYS A 80 -9.436 12.276 2.887 1.00 0.00 C ATOM 1167 O LYS A 80 -9.834 13.326 2.423 1.00 0.00 O ATOM 1168 CB LYS A 80 -11.264 10.611 2.554 1.00 0.00 C ATOM 1169 CG LYS A 80 -11.947 10.093 1.286 1.00 0.00 C ATOM 1170 CD LYS A 80 -13.454 10.354 1.372 1.00 0.00 C ATOM 1171 CE LYS A 80 -14.125 9.232 2.167 1.00 0.00 C ATOM 1172 NZ LYS A 80 -15.557 9.130 1.765 1.00 0.00 N ATOM 0 H LYS A 80 -9.369 9.284 3.508 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.664 10.991 1.173 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.324 9.862 3.343 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.779 11.500 2.919 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.531 10.588 0.408 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.758 9.026 1.169 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.640 11.315 1.852 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.881 10.410 0.371 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.616 8.286 1.983 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.049 9.433 3.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -16.015 8.368 2.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -16.038 10.031 1.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.618 8.920 0.748 1.00 0.00 H new ATOM 1186 N GLU A 81 -8.657 12.249 3.934 1.00 0.00 N ATOM 1187 CA GLU A 81 -8.248 13.533 4.571 1.00 0.00 C ATOM 1188 C GLU A 81 -6.871 13.893 4.035 1.00 0.00 C ATOM 1189 O GLU A 81 -6.594 15.027 3.701 1.00 0.00 O ATOM 1190 CB GLU A 81 -8.217 13.399 6.098 1.00 0.00 C ATOM 1191 CG GLU A 81 -7.122 12.424 6.518 1.00 0.00 C ATOM 1192 CD GLU A 81 -7.117 12.289 8.042 1.00 0.00 C ATOM 1193 OE1 GLU A 81 -8.154 12.523 8.641 1.00 0.00 O ATOM 1194 OE2 GLU A 81 -6.077 11.955 8.584 1.00 0.00 O ATOM 0 H GLU A 81 -8.290 11.404 4.372 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.966 14.318 4.333 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -8.040 14.374 6.553 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.184 13.049 6.460 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.290 11.451 6.057 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -6.152 12.778 6.170 1.00 0.00 H new ATOM 1201 N GLY A 82 -6.017 12.915 3.919 1.00 0.00 N ATOM 1202 CA GLY A 82 -4.658 13.168 3.367 1.00 0.00 C ATOM 1203 C GLY A 82 -4.833 13.724 1.955 1.00 0.00 C ATOM 1204 O GLY A 82 -4.138 14.624 1.529 1.00 0.00 O ATOM 0 H GLY A 82 -6.203 11.948 4.184 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.115 13.876 3.993 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.075 12.247 3.347 1.00 0.00 H new ATOM 1208 N VAL A 83 -5.778 13.184 1.237 1.00 0.00 N ATOM 1209 CA VAL A 83 -6.046 13.654 -0.154 1.00 0.00 C ATOM 1210 C VAL A 83 -6.517 15.113 -0.136 1.00 0.00 C ATOM 1211 O VAL A 83 -6.084 15.922 -0.932 1.00 0.00 O ATOM 1212 CB VAL A 83 -7.142 12.775 -0.765 1.00 0.00 C ATOM 1213 CG1 VAL A 83 -7.474 13.245 -2.182 1.00 0.00 C ATOM 1214 CG2 VAL A 83 -6.657 11.329 -0.816 1.00 0.00 C ATOM 0 H VAL A 83 -6.384 12.428 1.557 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.132 13.586 -0.745 1.00 0.00 H new ATOM 0 HB VAL A 83 -8.038 12.848 -0.149 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -8.254 12.610 -2.602 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.823 14.277 -2.151 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.581 13.183 -2.804 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.434 10.700 -1.250 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.757 11.268 -1.428 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.433 10.984 0.194 1.00 0.00 H new ATOM 1224 N ALA A 84 -7.410 15.451 0.752 1.00 0.00 N ATOM 1225 CA ALA A 84 -7.919 16.854 0.804 1.00 0.00 C ATOM 1226 C ALA A 84 -7.068 17.705 1.753 1.00 0.00 C ATOM 1227 O ALA A 84 -7.367 18.857 1.998 1.00 0.00 O ATOM 1228 CB ALA A 84 -9.360 16.841 1.305 1.00 0.00 C ATOM 0 H ALA A 84 -7.810 14.818 1.445 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.866 17.284 -0.196 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.740 17.862 1.346 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.976 16.252 0.626 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.395 16.400 2.301 1.00 0.00 H new ATOM 1234 N SER A 85 -6.016 17.157 2.292 1.00 0.00 N ATOM 1235 CA SER A 85 -5.164 17.948 3.226 1.00 0.00 C ATOM 1236 C SER A 85 -3.855 18.336 2.534 1.00 0.00 C ATOM 1237 O SER A 85 -3.226 19.315 2.882 1.00 0.00 O ATOM 1238 CB SER A 85 -4.856 17.113 4.469 1.00 0.00 C ATOM 1239 OG SER A 85 -3.871 17.779 5.248 1.00 0.00 O ATOM 0 H SER A 85 -5.709 16.198 2.128 1.00 0.00 H new ATOM 0 HA SER A 85 -5.697 18.853 3.518 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.762 16.965 5.056 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.500 16.125 4.179 1.00 0.00 H new ATOM 0 HG SER A 85 -3.672 17.248 6.047 1.00 0.00 H new ATOM 1245 N GLY A 86 -3.438 17.579 1.556 1.00 0.00 N ATOM 1246 CA GLY A 86 -2.169 17.913 0.846 1.00 0.00 C ATOM 1247 C GLY A 86 -0.983 17.350 1.631 1.00 0.00 C ATOM 1248 O GLY A 86 0.108 17.886 1.596 1.00 0.00 O ATOM 0 H GLY A 86 -3.919 16.746 1.218 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.183 17.497 -0.161 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.071 18.994 0.743 1.00 0.00 H new ATOM 1252 N ASN A 87 -1.185 16.274 2.340 1.00 0.00 N ATOM 1253 CA ASN A 87 -0.070 15.678 3.127 1.00 0.00 C ATOM 1254 C ASN A 87 -0.518 14.330 3.693 1.00 0.00 C ATOM 1255 O ASN A 87 -0.548 14.126 4.891 1.00 0.00 O ATOM 1256 CB ASN A 87 0.300 16.619 4.276 1.00 0.00 C ATOM 1257 CG ASN A 87 1.597 16.142 4.935 1.00 0.00 C ATOM 1258 OD1 ASN A 87 1.605 15.785 6.096 1.00 0.00 O ATOM 1259 ND2 ASN A 87 2.699 16.123 4.237 1.00 0.00 N ATOM 0 H ASN A 87 -2.076 15.781 2.408 1.00 0.00 H new ATOM 0 HA ASN A 87 0.798 15.533 2.484 1.00 0.00 H new ATOM 0 HB2 ASN A 87 0.423 17.635 3.902 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -0.505 16.645 5.011 1.00 0.00 H new ATOM 0 HD21 ASN A 87 3.569 15.808 4.666 1.00 0.00 H new ATOM 0 HD22 ASN A 87 2.690 16.423 3.262 1.00 0.00 H new ATOM 1266 N LEU A 88 -0.870 13.408 2.841 1.00 0.00 N ATOM 1267 CA LEU A 88 -1.320 12.075 3.330 1.00 0.00 C ATOM 1268 C LEU A 88 -0.202 11.418 4.137 1.00 0.00 C ATOM 1269 O LEU A 88 0.874 11.165 3.633 1.00 0.00 O ATOM 1270 CB LEU A 88 -1.677 11.187 2.139 1.00 0.00 C ATOM 1271 CG LEU A 88 -2.564 10.037 2.615 1.00 0.00 C ATOM 1272 CD1 LEU A 88 -3.508 9.620 1.484 1.00 0.00 C ATOM 1273 CD2 LEU A 88 -1.689 8.845 3.010 1.00 0.00 C ATOM 0 H LEU A 88 -0.866 13.520 1.827 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.197 12.203 3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.195 11.770 1.378 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.770 10.795 1.678 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.147 10.362 3.477 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.141 8.800 1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.132 10.467 1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.923 9.296 0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.322 8.025 3.349 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.106 8.520 2.148 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.015 9.139 3.814 1.00 0.00 H new ATOM 1285 N ASN A 89 -0.450 11.138 5.386 1.00 0.00 N ATOM 1286 CA ASN A 89 0.594 10.493 6.228 1.00 0.00 C ATOM 1287 C ASN A 89 -0.068 9.842 7.440 1.00 0.00 C ATOM 1288 O ASN A 89 -0.149 10.428 8.502 1.00 0.00 O ATOM 1289 CB ASN A 89 1.596 11.550 6.702 1.00 0.00 C ATOM 1290 CG ASN A 89 0.854 12.672 7.433 1.00 0.00 C ATOM 1291 OD1 ASN A 89 -0.313 12.906 7.188 1.00 0.00 O ATOM 1292 ND2 ASN A 89 1.488 13.383 8.326 1.00 0.00 N ATOM 0 H ASN A 89 -1.333 11.329 5.860 1.00 0.00 H new ATOM 0 HA ASN A 89 1.117 9.735 5.644 1.00 0.00 H new ATOM 0 HB2 ASN A 89 2.332 11.096 7.365 1.00 0.00 H new ATOM 0 HB3 ASN A 89 2.141 11.956 5.850 1.00 0.00 H new ATOM 0 HD21 ASN A 89 1.004 14.134 8.817 1.00 0.00 H new ATOM 0 HD22 ASN A 89 2.468 13.187 8.532 1.00 0.00 H new ATOM 1299 N THR A 90 -0.546 8.635 7.299 1.00 0.00 N ATOM 1300 CA THR A 90 -1.202 7.968 8.457 1.00 0.00 C ATOM 1301 C THR A 90 -0.700 6.531 8.585 1.00 0.00 C ATOM 1302 O THR A 90 -0.359 5.888 7.611 1.00 0.00 O ATOM 1303 CB THR A 90 -2.717 7.958 8.252 1.00 0.00 C ATOM 1304 OG1 THR A 90 -3.322 7.183 9.282 1.00 0.00 O ATOM 1305 CG2 THR A 90 -3.041 7.352 6.885 1.00 0.00 C ATOM 0 H THR A 90 -0.511 8.087 6.439 1.00 0.00 H new ATOM 0 HA THR A 90 -0.958 8.517 9.367 1.00 0.00 H new ATOM 0 HB THR A 90 -3.103 8.976 8.291 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.939 6.535 8.884 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.121 7.344 6.737 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.572 7.948 6.102 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.661 6.331 6.840 1.00 0.00 H new ATOM 1313 N MET A 91 -0.658 6.022 9.784 1.00 0.00 N ATOM 1314 CA MET A 91 -0.189 4.626 9.992 1.00 0.00 C ATOM 1315 C MET A 91 -1.061 3.962 11.057 1.00 0.00 C ATOM 1316 O MET A 91 -1.796 4.619 11.766 1.00 0.00 O ATOM 1317 CB MET A 91 1.268 4.636 10.454 1.00 0.00 C ATOM 1318 CG MET A 91 1.394 5.478 11.724 1.00 0.00 C ATOM 1319 SD MET A 91 3.053 6.194 11.812 1.00 0.00 S ATOM 1320 CE MET A 91 2.929 7.239 10.340 1.00 0.00 C ATOM 0 H MET A 91 -0.930 6.517 10.633 1.00 0.00 H new ATOM 0 HA MET A 91 -0.262 4.070 9.057 1.00 0.00 H new ATOM 0 HB2 MET A 91 1.607 3.618 10.645 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.907 5.043 9.670 1.00 0.00 H new ATOM 0 HG2 MET A 91 0.644 6.269 11.724 1.00 0.00 H new ATOM 0 HG3 MET A 91 1.206 4.861 12.602 1.00 0.00 H new ATOM 0 HE1 MET A 91 3.390 8.206 10.541 1.00 0.00 H new ATOM 0 HE2 MET A 91 3.443 6.758 9.508 1.00 0.00 H new ATOM 0 HE3 MET A 91 1.879 7.383 10.084 1.00 0.00 H new ATOM 1330 N PHE A 92 -0.987 2.667 11.178 1.00 0.00 N ATOM 1331 CA PHE A 92 -1.816 1.971 12.201 1.00 0.00 C ATOM 1332 C PHE A 92 -1.620 0.461 12.086 1.00 0.00 C ATOM 1333 O PHE A 92 -0.916 -0.024 11.225 1.00 0.00 O ATOM 1334 CB PHE A 92 -3.298 2.305 11.987 1.00 0.00 C ATOM 1335 CG PHE A 92 -3.663 2.163 10.525 1.00 0.00 C ATOM 1336 CD1 PHE A 92 -4.093 0.929 10.021 1.00 0.00 C ATOM 1337 CD2 PHE A 92 -3.587 3.271 9.676 1.00 0.00 C ATOM 1338 CE1 PHE A 92 -4.443 0.804 8.671 1.00 0.00 C ATOM 1339 CE2 PHE A 92 -3.934 3.144 8.326 1.00 0.00 C ATOM 1340 CZ PHE A 92 -4.364 1.912 7.823 1.00 0.00 C ATOM 0 H PHE A 92 -0.390 2.061 10.615 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.507 2.305 13.192 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.918 1.641 12.590 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.501 3.322 12.322 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.155 0.072 10.675 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.260 4.225 10.062 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.774 -0.149 8.285 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.869 4.000 7.671 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.634 1.817 6.782 1.00 0.00 H new ATOM 1350 N GLU A 93 -2.252 -0.291 12.940 1.00 0.00 N ATOM 1351 CA GLU A 93 -2.122 -1.769 12.861 1.00 0.00 C ATOM 1352 C GLU A 93 -3.420 -2.312 12.272 1.00 0.00 C ATOM 1353 O GLU A 93 -4.477 -2.181 12.857 1.00 0.00 O ATOM 1354 CB GLU A 93 -1.901 -2.350 14.259 1.00 0.00 C ATOM 1355 CG GLU A 93 -0.757 -1.603 14.946 1.00 0.00 C ATOM 1356 CD GLU A 93 0.551 -1.872 14.200 1.00 0.00 C ATOM 1357 OE1 GLU A 93 0.777 -3.013 13.830 1.00 0.00 O ATOM 1358 OE2 GLU A 93 1.308 -0.934 14.013 1.00 0.00 O ATOM 0 H GLU A 93 -2.853 0.054 13.689 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.271 -2.047 12.239 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.813 -2.262 14.849 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -1.667 -3.412 14.190 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.965 -0.533 14.962 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.669 -1.926 15.983 1.00 0.00 H new ATOM 1365 N TYR A 94 -3.360 -2.892 11.110 1.00 0.00 N ATOM 1366 CA TYR A 94 -4.606 -3.404 10.484 1.00 0.00 C ATOM 1367 C TYR A 94 -4.574 -4.926 10.412 1.00 0.00 C ATOM 1368 O TYR A 94 -3.583 -5.559 10.720 1.00 0.00 O ATOM 1369 CB TYR A 94 -4.724 -2.831 9.072 1.00 0.00 C ATOM 1370 CG TYR A 94 -6.153 -2.433 8.800 1.00 0.00 C ATOM 1371 CD1 TYR A 94 -6.728 -1.366 9.502 1.00 0.00 C ATOM 1372 CD2 TYR A 94 -6.902 -3.127 7.844 1.00 0.00 C ATOM 1373 CE1 TYR A 94 -8.053 -0.994 9.247 1.00 0.00 C ATOM 1374 CE2 TYR A 94 -8.226 -2.756 7.589 1.00 0.00 C ATOM 1375 CZ TYR A 94 -8.803 -1.689 8.289 1.00 0.00 C ATOM 1376 OH TYR A 94 -10.110 -1.323 8.037 1.00 0.00 O ATOM 0 H TYR A 94 -2.507 -3.033 10.569 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.462 -3.099 11.085 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.069 -1.966 8.965 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.397 -3.571 8.341 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.149 -0.830 10.240 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -6.458 -3.949 7.303 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -8.497 -0.172 9.788 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.804 -3.293 6.851 1.00 0.00 H new ATOM 0 HH TYR A 94 -10.428 -1.781 7.231 1.00 0.00 H new ATOM 1386 N THR A 95 -5.658 -5.511 9.997 1.00 0.00 N ATOM 1387 CA THR A 95 -5.721 -6.989 9.880 1.00 0.00 C ATOM 1388 C THR A 95 -6.617 -7.341 8.697 1.00 0.00 C ATOM 1389 O THR A 95 -7.820 -7.173 8.742 1.00 0.00 O ATOM 1390 CB THR A 95 -6.301 -7.590 11.165 1.00 0.00 C ATOM 1391 OG1 THR A 95 -5.421 -7.321 12.247 1.00 0.00 O ATOM 1392 CG2 THR A 95 -6.461 -9.102 10.997 1.00 0.00 C ATOM 0 H THR A 95 -6.513 -5.022 9.731 1.00 0.00 H new ATOM 0 HA THR A 95 -4.720 -7.393 9.727 1.00 0.00 H new ATOM 0 HB THR A 95 -7.276 -7.146 11.368 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.790 -7.703 13.071 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.874 -9.528 11.912 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.135 -9.306 10.165 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.488 -9.551 10.794 1.00 0.00 H new ATOM 1400 N PHE A 96 -6.041 -7.822 7.636 1.00 0.00 N ATOM 1401 CA PHE A 96 -6.860 -8.178 6.449 1.00 0.00 C ATOM 1402 C PHE A 96 -7.486 -9.557 6.667 1.00 0.00 C ATOM 1403 O PHE A 96 -6.799 -10.538 6.862 1.00 0.00 O ATOM 1404 CB PHE A 96 -5.973 -8.190 5.198 1.00 0.00 C ATOM 1405 CG PHE A 96 -5.257 -6.857 5.051 1.00 0.00 C ATOM 1406 CD1 PHE A 96 -5.897 -5.660 5.411 1.00 0.00 C ATOM 1407 CD2 PHE A 96 -3.951 -6.822 4.546 1.00 0.00 C ATOM 1408 CE1 PHE A 96 -5.228 -4.434 5.267 1.00 0.00 C ATOM 1409 CE2 PHE A 96 -3.285 -5.596 4.404 1.00 0.00 C ATOM 1410 CZ PHE A 96 -3.921 -4.403 4.763 1.00 0.00 C ATOM 0 H PHE A 96 -5.039 -7.984 7.539 1.00 0.00 H new ATOM 0 HA PHE A 96 -7.652 -7.442 6.311 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -5.244 -8.997 5.268 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -6.580 -8.385 4.314 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -6.905 -5.682 5.799 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -3.456 -7.740 4.266 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.721 -3.514 5.545 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -2.277 -5.573 4.016 1.00 0.00 H new ATOM 0 HZ PHE A 96 -3.406 -3.460 4.652 1.00 0.00 H new ATOM 1420 N ASP A 97 -8.788 -9.636 6.640 1.00 0.00 N ATOM 1421 CA ASP A 97 -9.466 -10.945 6.851 1.00 0.00 C ATOM 1422 C ASP A 97 -10.597 -11.082 5.833 1.00 0.00 C ATOM 1423 O ASP A 97 -11.715 -11.422 6.166 1.00 0.00 O ATOM 1424 CB ASP A 97 -10.039 -11.003 8.267 1.00 0.00 C ATOM 1425 CG ASP A 97 -10.573 -12.410 8.544 1.00 0.00 C ATOM 1426 OD1 ASP A 97 -9.788 -13.343 8.487 1.00 0.00 O ATOM 1427 OD2 ASP A 97 -11.758 -12.531 8.807 1.00 0.00 O ATOM 0 H ASP A 97 -9.414 -8.846 6.480 1.00 0.00 H new ATOM 0 HA ASP A 97 -8.752 -11.758 6.723 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -9.268 -10.745 8.993 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -10.839 -10.271 8.377 1.00 0.00 H new ATOM 1432 N TYR A 98 -10.302 -10.792 4.600 1.00 0.00 N ATOM 1433 CA TYR A 98 -11.335 -10.868 3.521 1.00 0.00 C ATOM 1434 C TYR A 98 -11.563 -12.320 3.068 1.00 0.00 C ATOM 1435 O TYR A 98 -11.155 -12.701 1.995 1.00 0.00 O ATOM 1436 CB TYR A 98 -10.859 -10.038 2.317 1.00 0.00 C ATOM 1437 CG TYR A 98 -9.462 -10.453 1.848 1.00 0.00 C ATOM 1438 CD1 TYR A 98 -8.800 -11.582 2.376 1.00 0.00 C ATOM 1439 CD2 TYR A 98 -8.829 -9.690 0.858 1.00 0.00 C ATOM 1440 CE1 TYR A 98 -7.529 -11.931 1.917 1.00 0.00 C ATOM 1441 CE2 TYR A 98 -7.553 -10.045 0.400 1.00 0.00 C ATOM 1442 CZ TYR A 98 -6.906 -11.166 0.929 1.00 0.00 C ATOM 1443 OH TYR A 98 -5.650 -11.516 0.481 1.00 0.00 O ATOM 0 H TYR A 98 -9.377 -10.501 4.284 1.00 0.00 H new ATOM 0 HA TYR A 98 -12.274 -10.478 3.914 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -11.566 -10.153 1.495 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -10.852 -8.982 2.585 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -9.279 -12.178 3.138 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -9.327 -8.824 0.446 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -7.026 -12.795 2.327 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -7.069 -9.452 -0.362 1.00 0.00 H new ATOM 0 HH TYR A 98 -5.036 -11.574 1.242 1.00 0.00 H new ATOM 1453 N GLN A 99 -12.209 -13.122 3.873 1.00 0.00 N ATOM 1454 CA GLN A 99 -12.470 -14.549 3.498 1.00 0.00 C ATOM 1455 C GLN A 99 -11.142 -15.310 3.382 1.00 0.00 C ATOM 1456 O GLN A 99 -11.008 -16.232 2.602 1.00 0.00 O ATOM 1457 CB GLN A 99 -13.298 -14.613 2.184 1.00 0.00 C ATOM 1458 CG GLN A 99 -12.424 -14.725 0.914 1.00 0.00 C ATOM 1459 CD GLN A 99 -12.675 -16.077 0.245 1.00 0.00 C ATOM 1460 OE1 GLN A 99 -12.440 -17.113 0.834 1.00 0.00 O ATOM 1461 NE2 GLN A 99 -13.148 -16.110 -0.970 1.00 0.00 N ATOM 0 H GLN A 99 -12.572 -12.848 4.786 1.00 0.00 H new ATOM 0 HA GLN A 99 -13.059 -15.032 4.278 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -13.972 -15.468 2.229 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -13.920 -13.721 2.111 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -12.660 -13.915 0.224 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -11.370 -14.625 1.174 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -13.345 -15.240 -1.464 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -13.321 -17.006 -1.426 1.00 0.00 H new ATOM 1470 N MET A 100 -10.164 -14.932 4.156 1.00 0.00 N ATOM 1471 CA MET A 100 -8.852 -15.628 4.094 1.00 0.00 C ATOM 1472 C MET A 100 -8.197 -15.570 5.473 1.00 0.00 C ATOM 1473 O MET A 100 -8.760 -15.050 6.416 1.00 0.00 O ATOM 1474 CB MET A 100 -7.955 -14.925 3.070 1.00 0.00 C ATOM 1475 CG MET A 100 -7.314 -15.966 2.145 1.00 0.00 C ATOM 1476 SD MET A 100 -5.511 -15.855 2.258 1.00 0.00 S ATOM 1477 CE MET A 100 -5.313 -14.340 1.288 1.00 0.00 C ATOM 0 H MET A 100 -10.218 -14.169 4.830 1.00 0.00 H new ATOM 0 HA MET A 100 -8.994 -16.667 3.797 1.00 0.00 H new ATOM 0 HB2 MET A 100 -8.541 -14.216 2.485 1.00 0.00 H new ATOM 0 HB3 MET A 100 -7.181 -14.353 3.582 1.00 0.00 H new ATOM 0 HG2 MET A 100 -7.645 -16.967 2.424 1.00 0.00 H new ATOM 0 HG3 MET A 100 -7.634 -15.799 1.117 1.00 0.00 H new ATOM 0 HE1 MET A 100 -4.515 -14.477 0.558 1.00 0.00 H new ATOM 0 HE2 MET A 100 -6.245 -14.116 0.769 1.00 0.00 H new ATOM 0 HE3 MET A 100 -5.060 -13.513 1.952 1.00 0.00 H new ATOM 1487 N THR A 101 -7.013 -16.094 5.602 1.00 0.00 N ATOM 1488 CA THR A 101 -6.325 -16.061 6.924 1.00 0.00 C ATOM 1489 C THR A 101 -6.248 -14.611 7.418 1.00 0.00 C ATOM 1490 O THR A 101 -6.227 -13.698 6.617 1.00 0.00 O ATOM 1491 CB THR A 101 -4.906 -16.628 6.773 1.00 0.00 C ATOM 1492 OG1 THR A 101 -4.116 -16.244 7.889 1.00 0.00 O ATOM 1493 CG2 THR A 101 -4.264 -16.083 5.495 1.00 0.00 C ATOM 0 H THR A 101 -6.490 -16.544 4.851 1.00 0.00 H new ATOM 0 HA THR A 101 -6.881 -16.662 7.643 1.00 0.00 H new ATOM 0 HB THR A 101 -4.962 -17.715 6.719 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.212 -16.609 7.791 1.00 0.00 H new ATOM 0 HG21 THR A 101 -3.257 -16.488 5.392 1.00 0.00 H new ATOM 0 HG22 THR A 101 -4.863 -16.377 4.633 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.214 -14.995 5.548 1.00 0.00 H new ATOM 1501 N PRO A 102 -6.201 -14.429 8.724 1.00 0.00 N ATOM 1502 CA PRO A 102 -6.117 -13.082 9.316 1.00 0.00 C ATOM 1503 C PRO A 102 -4.714 -12.510 9.110 1.00 0.00 C ATOM 1504 O PRO A 102 -3.863 -12.583 9.974 1.00 0.00 O ATOM 1505 CB PRO A 102 -6.424 -13.312 10.799 1.00 0.00 C ATOM 1506 CG PRO A 102 -6.126 -14.802 11.079 1.00 0.00 C ATOM 1507 CD PRO A 102 -6.222 -15.527 9.723 1.00 0.00 C ATOM 0 HA PRO A 102 -6.804 -12.364 8.867 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.809 -12.668 11.428 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -7.464 -13.075 11.022 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.135 -14.924 11.516 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.841 -15.214 11.791 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -5.388 -16.214 9.578 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.136 -16.116 9.649 1.00 0.00 H new ATOM 1515 N THR A 103 -4.472 -11.952 7.957 1.00 0.00 N ATOM 1516 CA THR A 103 -3.133 -11.379 7.659 1.00 0.00 C ATOM 1517 C THR A 103 -2.906 -10.122 8.503 1.00 0.00 C ATOM 1518 O THR A 103 -3.253 -9.032 8.099 1.00 0.00 O ATOM 1519 CB THR A 103 -3.064 -11.029 6.156 1.00 0.00 C ATOM 1520 OG1 THR A 103 -2.788 -12.209 5.416 1.00 0.00 O ATOM 1521 CG2 THR A 103 -1.965 -9.987 5.873 1.00 0.00 C ATOM 0 H THR A 103 -5.153 -11.868 7.202 1.00 0.00 H new ATOM 0 HA THR A 103 -2.357 -12.105 7.902 1.00 0.00 H new ATOM 0 HB THR A 103 -4.023 -10.605 5.858 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.745 -11.994 4.461 1.00 0.00 H new ATOM 0 HG21 THR A 103 -1.942 -9.762 4.807 1.00 0.00 H new ATOM 0 HG22 THR A 103 -2.176 -9.075 6.432 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.998 -10.385 6.180 1.00 0.00 H new ATOM 1529 N LYS A 104 -2.288 -10.251 9.643 1.00 0.00 N ATOM 1530 CA LYS A 104 -2.005 -9.037 10.451 1.00 0.00 C ATOM 1531 C LYS A 104 -0.902 -8.285 9.723 1.00 0.00 C ATOM 1532 O LYS A 104 0.034 -8.889 9.234 1.00 0.00 O ATOM 1533 CB LYS A 104 -1.518 -9.432 11.846 1.00 0.00 C ATOM 1534 CG LYS A 104 -2.081 -8.451 12.878 1.00 0.00 C ATOM 1535 CD LYS A 104 -2.335 -9.186 14.196 1.00 0.00 C ATOM 1536 CE LYS A 104 -1.828 -8.334 15.362 1.00 0.00 C ATOM 1537 NZ LYS A 104 -2.438 -8.818 16.632 1.00 0.00 N ATOM 0 H LYS A 104 -1.971 -11.133 10.045 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.901 -8.427 10.567 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -1.838 -10.447 12.081 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -0.428 -9.425 11.878 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.380 -7.631 13.036 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.008 -8.012 12.510 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -3.400 -9.386 14.314 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.829 -10.151 14.190 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.741 -8.391 15.423 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -2.083 -7.287 15.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -2.094 -8.240 17.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -3.473 -8.741 16.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -2.173 -9.812 16.788 1.00 0.00 H new ATOM 1551 N VAL A 105 -0.990 -6.989 9.609 1.00 0.00 N ATOM 1552 CA VAL A 105 0.080 -6.270 8.868 1.00 0.00 C ATOM 1553 C VAL A 105 0.335 -4.894 9.456 1.00 0.00 C ATOM 1554 O VAL A 105 -0.572 -4.187 9.851 1.00 0.00 O ATOM 1555 CB VAL A 105 -0.352 -6.077 7.398 1.00 0.00 C ATOM 1556 CG1 VAL A 105 -0.885 -7.394 6.838 1.00 0.00 C ATOM 1557 CG2 VAL A 105 -1.450 -4.997 7.298 1.00 0.00 C ATOM 0 H VAL A 105 -1.739 -6.409 9.988 1.00 0.00 H new ATOM 0 HA VAL A 105 0.988 -6.869 8.940 1.00 0.00 H new ATOM 0 HB VAL A 105 0.515 -5.758 6.820 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -1.188 -7.252 5.801 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -0.104 -8.153 6.887 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.744 -7.718 7.426 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.744 -4.872 6.256 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.316 -5.303 7.885 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.067 -4.052 7.682 1.00 0.00 H new ATOM 1567 N LYS A 106 1.550 -4.473 9.392 1.00 0.00 N ATOM 1568 CA LYS A 106 1.869 -3.103 9.806 1.00 0.00 C ATOM 1569 C LYS A 106 1.382 -2.286 8.619 1.00 0.00 C ATOM 1570 O LYS A 106 1.380 -2.790 7.520 1.00 0.00 O ATOM 1571 CB LYS A 106 3.395 -2.946 9.915 1.00 0.00 C ATOM 1572 CG LYS A 106 3.869 -3.018 11.364 1.00 0.00 C ATOM 1573 CD LYS A 106 4.382 -4.432 11.649 1.00 0.00 C ATOM 1574 CE LYS A 106 5.646 -4.353 12.508 1.00 0.00 C ATOM 1575 NZ LYS A 106 5.272 -4.306 13.950 1.00 0.00 N ATOM 0 H LYS A 106 2.343 -5.026 9.067 1.00 0.00 H new ATOM 0 HA LYS A 106 1.431 -2.818 10.763 1.00 0.00 H new ATOM 0 HB2 LYS A 106 3.883 -3.728 9.333 1.00 0.00 H new ATOM 0 HB3 LYS A 106 3.694 -1.992 9.481 1.00 0.00 H new ATOM 0 HG2 LYS A 106 4.659 -2.288 11.539 1.00 0.00 H new ATOM 0 HG3 LYS A 106 3.051 -2.770 12.041 1.00 0.00 H new ATOM 0 HD2 LYS A 106 3.616 -5.012 12.163 1.00 0.00 H new ATOM 0 HD3 LYS A 106 4.597 -4.948 10.713 1.00 0.00 H new ATOM 0 HE2 LYS A 106 6.283 -5.217 12.316 1.00 0.00 H new ATOM 0 HE3 LYS A 106 6.223 -3.467 12.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 6.133 -4.252 14.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 4.682 -3.469 14.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 4.740 -5.164 14.199 1.00 0.00 H new ATOM 1589 N VAL A 107 0.964 -1.075 8.773 1.00 0.00 N ATOM 1590 CA VAL A 107 0.521 -0.328 7.556 1.00 0.00 C ATOM 1591 C VAL A 107 1.049 1.102 7.620 1.00 0.00 C ATOM 1592 O VAL A 107 1.193 1.678 8.681 1.00 0.00 O ATOM 1593 CB VAL A 107 -1.007 -0.277 7.469 1.00 0.00 C ATOM 1594 CG1 VAL A 107 -1.590 -1.676 7.423 1.00 0.00 C ATOM 1595 CG2 VAL A 107 -1.542 0.472 8.680 1.00 0.00 C ATOM 0 H VAL A 107 0.906 -0.570 9.657 1.00 0.00 H new ATOM 0 HA VAL A 107 0.911 -0.845 6.679 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.298 0.239 6.554 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.677 -1.616 7.361 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.206 -2.202 6.549 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.307 -2.218 8.326 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.630 0.515 8.630 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.241 -0.046 9.590 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.139 1.485 8.689 1.00 0.00 H new ATOM 1605 N HIS A 108 1.311 1.686 6.494 1.00 0.00 N ATOM 1606 CA HIS A 108 1.799 3.094 6.486 1.00 0.00 C ATOM 1607 C HIS A 108 1.554 3.668 5.105 1.00 0.00 C ATOM 1608 O HIS A 108 2.267 3.374 4.180 1.00 0.00 O ATOM 1609 CB HIS A 108 3.291 3.134 6.808 1.00 0.00 C ATOM 1610 CG HIS A 108 3.774 4.558 6.788 1.00 0.00 C ATOM 1611 ND1 HIS A 108 5.074 4.901 7.122 1.00 0.00 N ATOM 1612 CD2 HIS A 108 3.142 5.738 6.482 1.00 0.00 C ATOM 1613 CE1 HIS A 108 5.182 6.237 7.011 1.00 0.00 C ATOM 1614 NE2 HIS A 108 4.034 6.796 6.623 1.00 0.00 N ATOM 0 H HIS A 108 1.210 1.254 5.575 1.00 0.00 H new ATOM 0 HA HIS A 108 1.270 3.679 7.239 1.00 0.00 H new ATOM 0 HB2 HIS A 108 3.474 2.691 7.787 1.00 0.00 H new ATOM 0 HB3 HIS A 108 3.846 2.541 6.081 1.00 0.00 H new ATOM 0 HD2 HIS A 108 2.110 5.831 6.178 1.00 0.00 H new ATOM 0 HE1 HIS A 108 6.088 6.790 7.211 1.00 0.00 H new ATOM 0 HE2 HIS A 108 3.850 7.787 6.464 1.00 0.00 H new ATOM 1622 N MET A 109 0.534 4.458 4.946 1.00 0.00 N ATOM 1623 CA MET A 109 0.239 5.012 3.592 1.00 0.00 C ATOM 1624 C MET A 109 0.562 6.512 3.578 1.00 0.00 C ATOM 1625 O MET A 109 0.309 7.209 4.541 1.00 0.00 O ATOM 1626 CB MET A 109 -1.252 4.791 3.230 1.00 0.00 C ATOM 1627 CG MET A 109 -1.931 3.754 4.165 1.00 0.00 C ATOM 1628 SD MET A 109 -2.928 4.640 5.383 1.00 0.00 S ATOM 1629 CE MET A 109 -4.543 4.347 4.620 1.00 0.00 C ATOM 0 H MET A 109 -0.106 4.745 5.686 1.00 0.00 H new ATOM 0 HA MET A 109 0.854 4.497 2.854 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.785 5.740 3.294 1.00 0.00 H new ATOM 0 HB3 MET A 109 -1.328 4.452 2.197 1.00 0.00 H new ATOM 0 HG2 MET A 109 -2.557 3.075 3.586 1.00 0.00 H new ATOM 0 HG3 MET A 109 -1.178 3.145 4.664 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.014 5.302 4.387 1.00 0.00 H new ATOM 0 HE2 MET A 109 -4.413 3.773 3.702 1.00 0.00 H new ATOM 0 HE3 MET A 109 -5.176 3.789 5.310 1.00 0.00 H new ATOM 1639 N LYS A 110 1.133 7.029 2.507 1.00 0.00 N ATOM 1640 CA LYS A 110 1.463 8.488 2.498 1.00 0.00 C ATOM 1641 C LYS A 110 1.045 9.108 1.163 1.00 0.00 C ATOM 1642 O LYS A 110 0.264 8.545 0.427 1.00 0.00 O ATOM 1643 CB LYS A 110 2.972 8.653 2.694 1.00 0.00 C ATOM 1644 CG LYS A 110 3.262 9.840 3.614 1.00 0.00 C ATOM 1645 CD LYS A 110 4.609 9.624 4.306 1.00 0.00 C ATOM 1646 CE LYS A 110 5.148 10.965 4.807 1.00 0.00 C ATOM 1647 NZ LYS A 110 6.210 10.725 5.824 1.00 0.00 N ATOM 0 H LYS A 110 1.378 6.514 1.661 1.00 0.00 H new ATOM 0 HA LYS A 110 0.927 8.992 3.302 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.392 7.742 3.121 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.456 8.805 1.729 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.280 10.765 3.038 1.00 0.00 H new ATOM 0 HG3 LYS A 110 2.471 9.942 4.357 1.00 0.00 H new ATOM 0 HD2 LYS A 110 4.494 8.932 5.140 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.318 9.172 3.612 1.00 0.00 H new ATOM 0 HE2 LYS A 110 5.551 11.541 3.974 1.00 0.00 H new ATOM 0 HE3 LYS A 110 4.340 11.554 5.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 6.577 11.637 6.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 5.811 10.192 6.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 6.984 10.179 5.395 1.00 0.00 H new ATOM 1661 N LYS A 111 1.561 10.262 0.845 1.00 0.00 N ATOM 1662 CA LYS A 111 1.198 10.910 -0.445 1.00 0.00 C ATOM 1663 C LYS A 111 2.395 10.833 -1.389 1.00 0.00 C ATOM 1664 O LYS A 111 3.357 11.564 -1.255 1.00 0.00 O ATOM 1665 CB LYS A 111 0.816 12.372 -0.206 1.00 0.00 C ATOM 1666 CG LYS A 111 0.180 12.947 -1.475 1.00 0.00 C ATOM 1667 CD LYS A 111 0.214 14.476 -1.417 1.00 0.00 C ATOM 1668 CE LYS A 111 -1.177 15.029 -1.731 1.00 0.00 C ATOM 1669 NZ LYS A 111 -2.018 14.986 -0.502 1.00 0.00 N ATOM 0 H LYS A 111 2.219 10.785 1.423 1.00 0.00 H new ATOM 0 HA LYS A 111 0.345 10.395 -0.888 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.119 12.445 0.628 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.699 12.950 0.065 1.00 0.00 H new ATOM 0 HG2 LYS A 111 0.717 12.594 -2.355 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -0.849 12.599 -1.568 1.00 0.00 H new ATOM 0 HD2 LYS A 111 0.534 14.806 -0.429 1.00 0.00 H new ATOM 0 HD3 LYS A 111 0.940 14.862 -2.132 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -1.099 16.053 -2.095 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -1.642 14.443 -2.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -2.744 15.729 -0.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -2.478 14.056 -0.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -1.419 15.143 0.334 1.00 0.00 H new ATOM 1683 N ALA A 112 2.344 9.940 -2.333 1.00 0.00 N ATOM 1684 CA ALA A 112 3.476 9.784 -3.288 1.00 0.00 C ATOM 1685 C ALA A 112 3.855 11.137 -3.893 1.00 0.00 C ATOM 1686 O ALA A 112 3.023 12.001 -4.085 1.00 0.00 O ATOM 1687 CB ALA A 112 3.057 8.815 -4.392 1.00 0.00 C ATOM 0 H ALA A 112 1.561 9.305 -2.487 1.00 0.00 H new ATOM 0 HA ALA A 112 4.346 9.392 -2.761 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.878 8.692 -5.099 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.808 7.849 -3.953 1.00 0.00 H new ATOM 0 HB3 ALA A 112 2.186 9.212 -4.913 1.00 0.00 H new ATOM 1693 N LEU A 113 5.112 11.323 -4.193 1.00 0.00 N ATOM 1694 CA LEU A 113 5.561 12.614 -4.786 1.00 0.00 C ATOM 1695 C LEU A 113 5.257 12.636 -6.290 1.00 0.00 C ATOM 1696 O LEU A 113 5.371 13.658 -6.935 1.00 0.00 O ATOM 1697 CB LEU A 113 7.068 12.775 -4.572 1.00 0.00 C ATOM 1698 CG LEU A 113 7.350 14.118 -3.899 1.00 0.00 C ATOM 1699 CD1 LEU A 113 6.923 14.055 -2.431 1.00 0.00 C ATOM 1700 CD2 LEU A 113 8.847 14.422 -3.977 1.00 0.00 C ATOM 0 H LEU A 113 5.850 10.633 -4.052 1.00 0.00 H new ATOM 0 HA LEU A 113 5.029 13.433 -4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 113 7.447 11.961 -3.954 1.00 0.00 H new ATOM 0 HB3 LEU A 113 7.589 12.719 -5.528 1.00 0.00 H new ATOM 0 HG LEU A 113 6.790 14.902 -4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 113 7.125 15.013 -1.952 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.857 13.837 -2.371 1.00 0.00 H new ATOM 0 HD13 LEU A 113 7.483 13.270 -1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 113 9.049 15.380 -3.497 1.00 0.00 H new ATOM 0 HD22 LEU A 113 9.405 13.636 -3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 113 9.155 14.467 -5.022 1.00 0.00 H new ATOM 1712 N SER A 114 4.873 11.519 -6.855 1.00 0.00 N ATOM 1713 CA SER A 114 4.565 11.489 -8.318 1.00 0.00 C ATOM 1714 C SER A 114 3.593 12.622 -8.665 1.00 0.00 C ATOM 1715 O SER A 114 3.536 13.081 -9.788 1.00 0.00 O ATOM 1716 CB SER A 114 3.929 10.146 -8.689 1.00 0.00 C ATOM 1717 OG SER A 114 4.288 9.163 -7.727 1.00 0.00 O ATOM 0 H SER A 114 4.760 10.629 -6.369 1.00 0.00 H new ATOM 0 HA SER A 114 5.491 11.618 -8.878 1.00 0.00 H new ATOM 0 HB2 SER A 114 2.845 10.246 -8.733 1.00 0.00 H new ATOM 0 HB3 SER A 114 4.261 9.837 -9.680 1.00 0.00 H new ATOM 0 HG SER A 114 3.878 8.306 -7.967 1.00 0.00 H new ATOM 1723 N GLY A 115 2.829 13.074 -7.708 1.00 0.00 N ATOM 1724 CA GLY A 115 1.862 14.174 -7.979 1.00 0.00 C ATOM 1725 C GLY A 115 0.536 13.864 -7.286 1.00 0.00 C ATOM 1726 O GLY A 115 -0.256 13.086 -7.777 1.00 0.00 O ATOM 0 H GLY A 115 2.833 12.728 -6.749 1.00 0.00 H new ATOM 0 HA2 GLY A 115 2.261 15.122 -7.618 1.00 0.00 H new ATOM 0 HA3 GLY A 115 1.708 14.282 -9.053 1.00 0.00 H new ATOM 1730 N ASP A 116 0.298 14.466 -6.144 1.00 0.00 N ATOM 1731 CA ASP A 116 -0.973 14.226 -5.385 1.00 0.00 C ATOM 1732 C ASP A 116 -1.339 12.735 -5.404 1.00 0.00 C ATOM 1733 O ASP A 116 -2.493 12.370 -5.498 1.00 0.00 O ATOM 1734 CB ASP A 116 -2.110 15.051 -6.005 1.00 0.00 C ATOM 1735 CG ASP A 116 -2.429 14.542 -7.413 1.00 0.00 C ATOM 1736 OD1 ASP A 116 -3.123 13.545 -7.520 1.00 0.00 O ATOM 1737 OD2 ASP A 116 -1.972 15.160 -8.362 1.00 0.00 O ATOM 0 H ASP A 116 0.939 15.123 -5.699 1.00 0.00 H new ATOM 0 HA ASP A 116 -0.826 14.533 -4.350 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -2.999 14.987 -5.378 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -1.825 16.102 -6.047 1.00 0.00 H new ATOM 1742 N SER A 117 -0.361 11.875 -5.319 1.00 0.00 N ATOM 1743 CA SER A 117 -0.651 10.415 -5.338 1.00 0.00 C ATOM 1744 C SER A 117 -0.891 9.915 -3.911 1.00 0.00 C ATOM 1745 O SER A 117 -0.892 10.679 -2.966 1.00 0.00 O ATOM 1746 CB SER A 117 0.532 9.672 -5.954 1.00 0.00 C ATOM 1747 OG SER A 117 0.179 9.225 -7.257 1.00 0.00 O ATOM 0 H SER A 117 0.625 12.121 -5.237 1.00 0.00 H new ATOM 0 HA SER A 117 -1.545 10.231 -5.933 1.00 0.00 H new ATOM 0 HB2 SER A 117 1.401 10.328 -6.005 1.00 0.00 H new ATOM 0 HB3 SER A 117 0.809 8.823 -5.328 1.00 0.00 H new ATOM 0 HG SER A 117 0.937 8.749 -7.656 1.00 0.00 H new ATOM 1753 N TYR A 118 -1.110 8.637 -3.753 1.00 0.00 N ATOM 1754 CA TYR A 118 -1.372 8.075 -2.392 1.00 0.00 C ATOM 1755 C TYR A 118 -0.909 6.620 -2.365 1.00 0.00 C ATOM 1756 O TYR A 118 -1.440 5.791 -3.081 1.00 0.00 O ATOM 1757 CB TYR A 118 -2.881 8.121 -2.115 1.00 0.00 C ATOM 1758 CG TYR A 118 -3.438 9.437 -2.563 1.00 0.00 C ATOM 1759 CD1 TYR A 118 -3.277 10.574 -1.769 1.00 0.00 C ATOM 1760 CD2 TYR A 118 -4.118 9.515 -3.779 1.00 0.00 C ATOM 1761 CE1 TYR A 118 -3.798 11.794 -2.194 1.00 0.00 C ATOM 1762 CE2 TYR A 118 -4.641 10.731 -4.205 1.00 0.00 C ATOM 1763 CZ TYR A 118 -4.483 11.878 -3.413 1.00 0.00 C ATOM 1764 OH TYR A 118 -4.999 13.091 -3.831 1.00 0.00 O ATOM 0 H TYR A 118 -1.119 7.954 -4.510 1.00 0.00 H new ATOM 0 HA TYR A 118 -0.838 8.654 -1.639 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.381 7.306 -2.639 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -3.069 7.979 -1.051 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -2.750 10.508 -0.828 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -4.238 8.632 -4.389 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -3.674 12.676 -1.583 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -5.169 10.792 -5.145 1.00 0.00 H new ATOM 0 HH TYR A 118 -4.799 13.779 -3.163 1.00 0.00 H new ATOM 1774 N TRP A 119 0.070 6.286 -1.561 1.00 0.00 N ATOM 1775 CA TRP A 119 0.522 4.871 -1.540 1.00 0.00 C ATOM 1776 C TRP A 119 0.341 4.233 -0.169 1.00 0.00 C ATOM 1777 O TRP A 119 0.302 4.889 0.843 1.00 0.00 O ATOM 1778 CB TRP A 119 1.964 4.749 -2.036 1.00 0.00 C ATOM 1779 CG TRP A 119 2.882 5.730 -1.392 1.00 0.00 C ATOM 1780 CD1 TRP A 119 3.430 6.799 -1.986 1.00 0.00 C ATOM 1781 CD2 TRP A 119 3.412 5.694 -0.066 1.00 0.00 C ATOM 1782 NE1 TRP A 119 4.274 7.432 -1.087 1.00 0.00 N ATOM 1783 CE2 TRP A 119 4.295 6.773 0.121 1.00 0.00 C ATOM 1784 CE3 TRP A 119 3.195 4.821 0.972 1.00 0.00 C ATOM 1785 CZ2 TRP A 119 4.957 6.967 1.329 1.00 0.00 C ATOM 1786 CZ3 TRP A 119 3.854 4.993 2.197 1.00 0.00 C ATOM 1787 CH2 TRP A 119 4.740 6.066 2.374 1.00 0.00 C ATOM 0 H TRP A 119 0.564 6.920 -0.933 1.00 0.00 H new ATOM 0 HA TRP A 119 -0.114 4.315 -2.228 1.00 0.00 H new ATOM 0 HB2 TRP A 119 2.326 3.739 -1.843 1.00 0.00 H new ATOM 0 HB3 TRP A 119 1.985 4.894 -3.116 1.00 0.00 H new ATOM 0 HD1 TRP A 119 3.244 7.116 -3.001 1.00 0.00 H new ATOM 0 HE1 TRP A 119 4.809 8.275 -1.294 1.00 0.00 H new ATOM 0 HE3 TRP A 119 2.511 3.995 0.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 5.629 7.803 1.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.679 4.299 3.006 1.00 0.00 H new ATOM 0 HH2 TRP A 119 5.253 6.195 3.316 1.00 0.00 H new ATOM 1798 N VAL A 120 0.192 2.934 -0.157 1.00 0.00 N ATOM 1799 CA VAL A 120 -0.019 2.195 1.115 1.00 0.00 C ATOM 1800 C VAL A 120 1.000 1.060 1.213 1.00 0.00 C ATOM 1801 O VAL A 120 0.961 0.109 0.457 1.00 0.00 O ATOM 1802 CB VAL A 120 -1.432 1.603 1.124 1.00 0.00 C ATOM 1803 CG1 VAL A 120 -1.726 0.991 2.494 1.00 0.00 C ATOM 1804 CG2 VAL A 120 -2.448 2.707 0.831 1.00 0.00 C ATOM 0 H VAL A 120 0.209 2.348 -0.991 1.00 0.00 H new ATOM 0 HA VAL A 120 0.103 2.874 1.959 1.00 0.00 H new ATOM 0 HB VAL A 120 -1.504 0.829 0.360 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -2.732 0.571 2.497 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -1.003 0.203 2.703 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -1.653 1.763 3.260 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -3.454 2.287 0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -2.374 3.482 1.594 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -2.242 3.141 -0.148 1.00 0.00 H new ATOM 1814 N PHE A 121 1.909 1.152 2.136 1.00 0.00 N ATOM 1815 CA PHE A 121 2.931 0.085 2.291 1.00 0.00 C ATOM 1816 C PHE A 121 2.491 -0.883 3.376 1.00 0.00 C ATOM 1817 O PHE A 121 2.572 -0.589 4.552 1.00 0.00 O ATOM 1818 CB PHE A 121 4.270 0.712 2.690 1.00 0.00 C ATOM 1819 CG PHE A 121 4.711 1.735 1.663 1.00 0.00 C ATOM 1820 CD1 PHE A 121 4.100 1.801 0.399 1.00 0.00 C ATOM 1821 CD2 PHE A 121 5.723 2.639 1.993 1.00 0.00 C ATOM 1822 CE1 PHE A 121 4.509 2.762 -0.528 1.00 0.00 C ATOM 1823 CE2 PHE A 121 6.123 3.606 1.069 1.00 0.00 C ATOM 1824 CZ PHE A 121 5.520 3.665 -0.194 1.00 0.00 C ATOM 0 H PHE A 121 1.989 1.926 2.795 1.00 0.00 H new ATOM 0 HA PHE A 121 3.043 -0.447 1.346 1.00 0.00 H new ATOM 0 HB2 PHE A 121 4.178 1.187 3.667 1.00 0.00 H new ATOM 0 HB3 PHE A 121 5.028 -0.066 2.784 1.00 0.00 H new ATOM 0 HD1 PHE A 121 3.313 1.107 0.144 1.00 0.00 H new ATOM 0 HD2 PHE A 121 6.196 2.590 2.963 1.00 0.00 H new ATOM 0 HE1 PHE A 121 4.044 2.807 -1.502 1.00 0.00 H new ATOM 0 HE2 PHE A 121 6.899 4.310 1.329 1.00 0.00 H new ATOM 0 HZ PHE A 121 5.837 4.409 -0.910 1.00 0.00 H new ATOM 1834 N VAL A 122 2.022 -2.034 2.996 1.00 0.00 N ATOM 1835 CA VAL A 122 1.584 -3.007 4.015 1.00 0.00 C ATOM 1836 C VAL A 122 2.745 -3.937 4.358 1.00 0.00 C ATOM 1837 O VAL A 122 3.195 -4.729 3.554 1.00 0.00 O ATOM 1838 CB VAL A 122 0.366 -3.802 3.488 1.00 0.00 C ATOM 1839 CG1 VAL A 122 0.455 -5.294 3.852 1.00 0.00 C ATOM 1840 CG2 VAL A 122 -0.899 -3.229 4.120 1.00 0.00 C ATOM 0 H VAL A 122 1.925 -2.338 2.027 1.00 0.00 H new ATOM 0 HA VAL A 122 1.280 -2.485 4.923 1.00 0.00 H new ATOM 0 HB VAL A 122 0.348 -3.714 2.402 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -0.419 -5.816 3.463 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.357 -5.722 3.415 1.00 0.00 H new ATOM 0 HG13 VAL A 122 0.490 -5.403 4.936 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.768 -3.779 3.758 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -0.837 -3.320 5.204 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -0.997 -2.178 3.849 1.00 0.00 H new ATOM 1850 N LYS A 123 3.196 -3.866 5.563 1.00 0.00 N ATOM 1851 CA LYS A 123 4.286 -4.767 6.005 1.00 0.00 C ATOM 1852 C LYS A 123 3.630 -6.016 6.582 1.00 0.00 C ATOM 1853 O LYS A 123 2.597 -5.938 7.202 1.00 0.00 O ATOM 1854 CB LYS A 123 5.141 -4.055 7.063 1.00 0.00 C ATOM 1855 CG LYS A 123 6.595 -3.980 6.594 1.00 0.00 C ATOM 1856 CD LYS A 123 6.799 -2.618 5.925 1.00 0.00 C ATOM 1857 CE LYS A 123 8.266 -2.355 5.554 1.00 0.00 C ATOM 1858 NZ LYS A 123 9.090 -3.597 5.680 1.00 0.00 N ATOM 0 H LYS A 123 2.856 -3.217 6.273 1.00 0.00 H new ATOM 0 HA LYS A 123 4.941 -5.039 5.177 1.00 0.00 H new ATOM 0 HB2 LYS A 123 4.755 -3.051 7.240 1.00 0.00 H new ATOM 0 HB3 LYS A 123 5.083 -4.590 8.011 1.00 0.00 H new ATOM 0 HG2 LYS A 123 7.275 -4.097 7.437 1.00 0.00 H new ATOM 0 HG3 LYS A 123 6.813 -4.786 5.894 1.00 0.00 H new ATOM 0 HD2 LYS A 123 6.186 -2.564 5.026 1.00 0.00 H new ATOM 0 HD3 LYS A 123 6.451 -1.832 6.596 1.00 0.00 H new ATOM 0 HE2 LYS A 123 8.323 -1.980 4.532 1.00 0.00 H new ATOM 0 HE3 LYS A 123 8.673 -1.579 6.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 10.087 -3.373 5.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 8.999 -3.978 6.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 8.757 -4.305 4.995 1.00 0.00 H new ATOM 1872 N ARG A 124 4.186 -7.173 6.367 1.00 0.00 N ATOM 1873 CA ARG A 124 3.525 -8.396 6.915 1.00 0.00 C ATOM 1874 C ARG A 124 4.054 -8.657 8.324 1.00 0.00 C ATOM 1875 O ARG A 124 5.235 -8.852 8.531 1.00 0.00 O ATOM 1876 CB ARG A 124 3.801 -9.597 5.998 1.00 0.00 C ATOM 1877 CG ARG A 124 3.259 -10.875 6.645 1.00 0.00 C ATOM 1878 CD ARG A 124 2.837 -11.859 5.554 1.00 0.00 C ATOM 1879 NE ARG A 124 3.265 -13.233 5.937 1.00 0.00 N ATOM 1880 CZ ARG A 124 3.201 -14.203 5.065 1.00 0.00 C ATOM 1881 NH1 ARG A 124 3.998 -14.204 4.033 1.00 0.00 N ATOM 1882 NH2 ARG A 124 2.339 -15.168 5.227 1.00 0.00 N ATOM 0 H ARG A 124 5.050 -7.328 5.848 1.00 0.00 H new ATOM 0 HA ARG A 124 2.446 -8.246 6.961 1.00 0.00 H new ATOM 0 HB2 ARG A 124 3.330 -9.441 5.027 1.00 0.00 H new ATOM 0 HB3 ARG A 124 4.872 -9.693 5.821 1.00 0.00 H new ATOM 0 HG2 ARG A 124 4.022 -11.325 7.281 1.00 0.00 H new ATOM 0 HG3 ARG A 124 2.409 -10.639 7.285 1.00 0.00 H new ATOM 0 HD2 ARG A 124 1.756 -11.827 5.418 1.00 0.00 H new ATOM 0 HD3 ARG A 124 3.286 -11.578 4.601 1.00 0.00 H new ATOM 0 HE ARG A 124 3.608 -13.416 6.880 1.00 0.00 H new ATOM 0 HH11 ARG A 124 4.671 -13.448 3.907 1.00 0.00 H new ATOM 0 HH12 ARG A 124 3.949 -14.961 3.351 1.00 0.00 H new ATOM 0 HH21 ARG A 124 1.716 -15.165 6.034 1.00 0.00 H new ATOM 0 HH22 ARG A 124 2.288 -15.926 4.546 1.00 0.00 H new ATOM 1896 N VAL A 125 3.183 -8.645 9.296 1.00 0.00 N ATOM 1897 CA VAL A 125 3.627 -8.871 10.698 1.00 0.00 C ATOM 1898 C VAL A 125 3.692 -10.375 10.972 1.00 0.00 C ATOM 1899 O VAL A 125 2.857 -11.090 10.442 1.00 0.00 O ATOM 1900 CB VAL A 125 2.645 -8.219 11.687 1.00 0.00 C ATOM 1901 CG1 VAL A 125 3.409 -7.776 12.921 1.00 0.00 C ATOM 1902 CG2 VAL A 125 1.971 -6.984 11.079 1.00 0.00 C ATOM 1903 OXT VAL A 125 4.575 -10.786 11.706 1.00 0.00 O ATOM 0 H VAL A 125 2.182 -8.488 9.178 1.00 0.00 H new ATOM 0 HA VAL A 125 4.612 -8.423 10.831 1.00 0.00 H new ATOM 0 HB VAL A 125 1.879 -8.954 11.934 1.00 0.00 H new ATOM 0 HG11 VAL A 125 2.721 -7.312 13.628 1.00 0.00 H new ATOM 0 HG12 VAL A 125 3.880 -8.641 13.387 1.00 0.00 H new ATOM 0 HG13 VAL A 125 4.175 -7.056 12.635 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.284 -6.550 11.806 1.00 0.00 H new ATOM 0 HG22 VAL A 125 2.731 -6.249 10.813 1.00 0.00 H new ATOM 0 HG23 VAL A 125 1.418 -7.274 10.186 1.00 0.00 H new TER 1913 VAL A 125 HETATM 1914 C1 HC4 A 126 -8.775 -5.797 3.314 1.00 0.00 C HETATM 1915 O1 HC4 A 126 -9.533 -6.705 3.041 1.00 0.00 O HETATM 1916 C2 HC4 A 126 -7.452 -5.552 2.630 1.00 0.00 C HETATM 1917 C3 HC4 A 126 -7.086 -6.369 1.676 1.00 0.00 C HETATM 1918 C1' HC4 A 126 -5.749 -6.219 1.002 1.00 0.00 C HETATM 1919 C2' HC4 A 126 -5.370 -7.135 0.011 1.00 0.00 C HETATM 1920 C3' HC4 A 126 -4.115 -7.014 -0.605 1.00 0.00 C HETATM 1921 C4' HC4 A 126 -3.241 -5.968 -0.221 1.00 0.00 C HETATM 1922 C5' HC4 A 126 -3.629 -5.053 0.774 1.00 0.00 C HETATM 1923 C6' HC4 A 126 -4.884 -5.182 1.382 1.00 0.00 C HETATM 1924 O4' HC4 A 126 -2.143 -5.863 -0.741 1.00 0.00 O HETATM 0 H6' HC4 A 126 -5.190 -4.475 2.153 1.00 0.00 H new HETATM 0 H5' HC4 A 126 -2.957 -4.248 1.070 1.00 0.00 H new HETATM 0 H3' HC4 A 126 -3.814 -7.723 -1.376 1.00 0.00 H new HETATM 0 H3 HC4 A 126 -7.758 -7.169 1.365 1.00 0.00 H new HETATM 0 H2' HC4 A 126 -6.047 -7.938 -0.280 1.00 0.00 H new HETATM 0 H2 HC4 A 126 -6.818 -4.716 2.923 1.00 0.00 H new