USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 835 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : X 1 MET CE :methyl 153:sc= -0.182 (180deg=-1.26) USER MOD Single : X 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 3 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.29) USER MOD Single : X 6 SER OG : rot 180:sc= -0.342 USER MOD Single : X 7 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : X 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : X 11 TYR OH : rot 180:sc= 0 USER MOD Single : X 14 GLN : amide:sc= -0.0259 K(o=-0.026,f=-1.7!) USER MOD Single : X 16 LYS NZ :NH3+ -136:sc= -2.24 (180deg=-3.72!) USER MOD Single : X 17 GLN : amide:sc=-0.00703 K(o=-0.007,f=-1.4!) USER MOD Single : X 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 21 THR OG1 : rot -43:sc= 0.827 USER MOD Single : X 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 27 LYS NZ :NH3+ -166:sc= -0.0129 (180deg=-0.22) USER MOD Single : X 28 TYR OH : rot 180:sc= 0 USER MOD Single : X 33 LYS NZ :NH3+ -178:sc= 0.612 (180deg=0.516) USER MOD Single : X 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 41 THR OG1 : rot 180:sc= -0.228 USER MOD Single : X 42 CYS SG : rot 180:sc= 0 USER MOD Single : X 47 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : X 50 THR OG1 : rot 180:sc= 0 USER MOD Single : X 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 62 CYS SG : rot 180:sc= 0 USER MOD Single : X 64 GLN : amide:sc=-0.00893 K(o=-0.0089,f=-1.7!) USER MOD Single : X 66 TYR OH : rot 180:sc= 0 USER MOD Single : X 67 TYR OH : rot 180:sc= 0 USER MOD Single : X 68 ASN : amide:sc= -1.56 K(o=-1.6,f=-5.6!) USER MOD Single : X 69 THR OG1 : rot 74:sc= 1.24 USER MOD Single : X 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 78 THR OG1 : rot 180:sc= 0 USER MOD Single : X 81 SER OG : rot 180:sc= 0 USER MOD Single : X 82 TYR OH : rot 124:sc= -0.752! USER MOD Single : X 84 ASN : amide:sc= -0.117 K(o=-0.12,f=-2.5!) USER MOD Single : X 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 96 ASN : amide:sc=-0.00334 X(o=-0.0033,f=0.12) USER MOD Single : X 98 GLN : amide:sc= 0.0148 K(o=0.015,f=-2.2!) USER MOD Single : X 100 MET CE :methyl 152:sc= -0.223 (180deg=-1.35!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 71.408 -4.975 -0.967 1.00 1.00 N ATOM 2 CA MET X 1 71.595 -6.430 -0.704 1.00 1.00 C ATOM 3 C MET X 1 71.206 -7.228 -1.951 1.00 1.00 C ATOM 4 O MET X 1 71.911 -7.232 -2.941 1.00 1.00 O ATOM 5 CB MET X 1 70.709 -6.854 0.468 1.00 1.00 C ATOM 6 CG MET X 1 71.043 -8.294 0.866 1.00 1.00 C ATOM 7 SD MET X 1 70.125 -8.735 2.362 1.00 1.00 S ATOM 8 CE MET X 1 68.465 -8.633 1.646 1.00 1.00 C ATOM 0 H1 MET X 1 71.672 -4.432 -0.120 1.00 1.00 H new ATOM 0 H2 MET X 1 72.010 -4.686 -1.765 1.00 1.00 H new ATOM 0 H3 MET X 1 70.412 -4.790 -1.200 1.00 1.00 H new ATOM 0 HA MET X 1 72.639 -6.624 -0.459 1.00 1.00 H new ATOM 0 HB2 MET X 1 70.864 -6.186 1.315 1.00 1.00 H new ATOM 0 HB3 MET X 1 69.658 -6.777 0.190 1.00 1.00 H new ATOM 0 HG2 MET X 1 70.787 -8.976 0.055 1.00 1.00 H new ATOM 0 HG3 MET X 1 72.114 -8.395 1.041 1.00 1.00 H new ATOM 0 HE1 MET X 1 67.792 -9.294 2.192 1.00 1.00 H new ATOM 0 HE2 MET X 1 68.101 -7.608 1.715 1.00 1.00 H new ATOM 0 HE3 MET X 1 68.501 -8.935 0.599 1.00 1.00 H new ATOM 20 N GLY X 2 70.091 -7.903 -1.911 1.00 1.00 N ATOM 21 CA GLY X 2 69.655 -8.694 -3.096 1.00 1.00 C ATOM 22 C GLY X 2 70.494 -9.969 -3.198 1.00 1.00 C ATOM 23 O GLY X 2 70.416 -10.700 -4.165 1.00 1.00 O ATOM 0 H GLY X 2 69.462 -7.941 -1.109 1.00 1.00 H new ATOM 0 HA2 GLY X 2 68.599 -8.948 -3.008 1.00 1.00 H new ATOM 0 HA3 GLY X 2 69.766 -8.100 -4.003 1.00 1.00 H new ATOM 27 N GLN X 3 71.298 -10.241 -2.207 1.00 1.00 N ATOM 28 CA GLN X 3 72.147 -11.465 -2.249 1.00 1.00 C ATOM 29 C GLN X 3 71.958 -12.263 -0.957 1.00 1.00 C ATOM 30 O GLN X 3 71.583 -11.726 0.066 1.00 1.00 O ATOM 31 CB GLN X 3 73.616 -11.062 -2.391 1.00 1.00 C ATOM 32 CG GLN X 3 73.828 -10.360 -3.734 1.00 1.00 C ATOM 33 CD GLN X 3 73.595 -11.354 -4.873 1.00 1.00 C ATOM 34 OE1 GLN X 3 74.177 -12.421 -4.893 1.00 1.00 O ATOM 35 NE2 GLN X 3 72.760 -11.048 -5.829 1.00 1.00 N ATOM 0 H GLN X 3 71.404 -9.668 -1.370 1.00 1.00 H new ATOM 0 HA GLN X 3 71.855 -12.080 -3.100 1.00 1.00 H new ATOM 0 HB2 GLN X 3 73.903 -10.400 -1.574 1.00 1.00 H new ATOM 0 HB3 GLN X 3 74.253 -11.944 -2.325 1.00 1.00 H new ATOM 0 HG2 GLN X 3 73.144 -9.517 -3.827 1.00 1.00 H new ATOM 0 HG3 GLN X 3 74.839 -9.957 -3.790 1.00 1.00 H new ATOM 0 HE21 GLN X 3 72.272 -10.153 -5.812 1.00 1.00 H new ATOM 0 HE22 GLN X 3 72.596 -11.704 -6.592 1.00 1.00 H new ATOM 44 N GLU X 4 72.214 -13.542 -0.996 1.00 1.00 N ATOM 45 CA GLU X 4 72.055 -14.372 0.232 1.00 1.00 C ATOM 46 C GLU X 4 72.994 -13.856 1.325 1.00 1.00 C ATOM 47 O GLU X 4 74.141 -13.544 1.074 1.00 1.00 O ATOM 48 CB GLU X 4 72.398 -15.828 -0.089 1.00 1.00 C ATOM 49 CG GLU X 4 71.335 -16.411 -1.022 1.00 1.00 C ATOM 50 CD GLU X 4 71.703 -17.852 -1.378 1.00 1.00 C ATOM 51 OE1 GLU X 4 72.709 -18.327 -0.878 1.00 1.00 O ATOM 52 OE2 GLU X 4 70.972 -18.456 -2.147 1.00 1.00 O ATOM 0 H GLU X 4 72.526 -14.048 -1.825 1.00 1.00 H new ATOM 0 HA GLU X 4 71.024 -14.309 0.581 1.00 1.00 H new ATOM 0 HB2 GLU X 4 73.380 -15.886 -0.559 1.00 1.00 H new ATOM 0 HB3 GLU X 4 72.449 -16.411 0.830 1.00 1.00 H new ATOM 0 HG2 GLU X 4 70.358 -16.383 -0.540 1.00 1.00 H new ATOM 0 HG3 GLU X 4 71.261 -15.809 -1.928 1.00 1.00 H new ATOM 59 N LEU X 5 72.515 -13.762 2.535 1.00 1.00 N ATOM 60 CA LEU X 5 73.379 -13.260 3.641 1.00 1.00 C ATOM 61 C LEU X 5 74.154 -14.429 4.254 1.00 1.00 C ATOM 62 O LEU X 5 73.629 -15.186 5.046 1.00 1.00 O ATOM 63 CB LEU X 5 72.507 -12.606 4.714 1.00 1.00 C ATOM 64 CG LEU X 5 71.919 -11.303 4.171 1.00 1.00 C ATOM 65 CD1 LEU X 5 70.881 -10.759 5.156 1.00 1.00 C ATOM 66 CD2 LEU X 5 73.039 -10.275 3.993 1.00 1.00 C ATOM 0 H LEU X 5 71.564 -14.011 2.806 1.00 1.00 H new ATOM 0 HA LEU X 5 74.082 -12.525 3.248 1.00 1.00 H new ATOM 0 HB2 LEU X 5 71.706 -13.284 5.009 1.00 1.00 H new ATOM 0 HB3 LEU X 5 73.100 -12.406 5.607 1.00 1.00 H new ATOM 0 HG LEU X 5 71.442 -11.494 3.210 1.00 1.00 H new ATOM 0 HD11 LEU X 5 70.463 -9.830 4.768 1.00 1.00 H new ATOM 0 HD12 LEU X 5 70.083 -11.490 5.285 1.00 1.00 H new ATOM 0 HD13 LEU X 5 71.357 -10.568 6.118 1.00 1.00 H new ATOM 0 HD21 LEU X 5 72.622 -9.345 3.606 1.00 1.00 H new ATOM 0 HD22 LEU X 5 73.516 -10.086 4.955 1.00 1.00 H new ATOM 0 HD23 LEU X 5 73.779 -10.661 3.291 1.00 1.00 H new ATOM 78 N SER X 6 75.400 -14.579 3.897 1.00 1.00 N ATOM 79 CA SER X 6 76.210 -15.695 4.462 1.00 1.00 C ATOM 80 C SER X 6 76.648 -15.341 5.885 1.00 1.00 C ATOM 81 O SER X 6 76.497 -14.221 6.330 1.00 1.00 O ATOM 82 CB SER X 6 77.446 -15.920 3.590 1.00 1.00 C ATOM 83 OG SER X 6 78.087 -14.673 3.354 1.00 1.00 O ATOM 0 H SER X 6 75.893 -13.976 3.238 1.00 1.00 H new ATOM 0 HA SER X 6 75.609 -16.604 4.483 1.00 1.00 H new ATOM 0 HB2 SER X 6 78.133 -16.608 4.083 1.00 1.00 H new ATOM 0 HB3 SER X 6 77.159 -16.380 2.644 1.00 1.00 H new ATOM 0 HG SER X 6 78.881 -14.814 2.797 1.00 1.00 H new ATOM 89 N GLN X 7 77.188 -16.288 6.602 1.00 1.00 N ATOM 90 CA GLN X 7 77.625 -16.006 7.999 1.00 1.00 C ATOM 91 C GLN X 7 78.538 -14.780 8.010 1.00 1.00 C ATOM 92 O GLN X 7 78.418 -13.912 8.851 1.00 1.00 O ATOM 93 CB GLN X 7 78.385 -17.215 8.551 1.00 1.00 C ATOM 94 CG GLN X 7 77.428 -18.402 8.692 1.00 1.00 C ATOM 95 CD GLN X 7 78.205 -19.629 9.174 1.00 1.00 C ATOM 96 OE1 GLN X 7 79.377 -19.539 9.480 1.00 1.00 O ATOM 97 NE2 GLN X 7 77.596 -20.780 9.256 1.00 1.00 N ATOM 0 H GLN X 7 77.345 -17.244 6.282 1.00 1.00 H new ATOM 0 HA GLN X 7 76.751 -15.813 8.621 1.00 1.00 H new ATOM 0 HB2 GLN X 7 79.208 -17.475 7.885 1.00 1.00 H new ATOM 0 HB3 GLN X 7 78.823 -16.971 9.519 1.00 1.00 H new ATOM 0 HG2 GLN X 7 76.634 -18.161 9.398 1.00 1.00 H new ATOM 0 HG3 GLN X 7 76.950 -18.613 7.735 1.00 1.00 H new ATOM 0 HE21 GLN X 7 76.612 -20.856 8.999 1.00 1.00 H new ATOM 0 HE22 GLN X 7 78.104 -21.604 9.577 1.00 1.00 H new ATOM 106 N HIS X 8 79.452 -14.702 7.081 1.00 1.00 N ATOM 107 CA HIS X 8 80.368 -13.527 7.034 1.00 1.00 C ATOM 108 C HIS X 8 79.568 -12.268 6.690 1.00 1.00 C ATOM 109 O HIS X 8 79.699 -11.245 7.333 1.00 1.00 O ATOM 110 CB HIS X 8 81.436 -13.757 5.962 1.00 1.00 C ATOM 111 CG HIS X 8 82.399 -12.601 5.957 1.00 1.00 C ATOM 112 ND1 HIS X 8 83.317 -12.398 6.978 1.00 1.00 N ATOM 113 CD2 HIS X 8 82.599 -11.578 5.064 1.00 1.00 C ATOM 114 CE1 HIS X 8 84.022 -11.292 6.677 1.00 1.00 C ATOM 115 NE2 HIS X 8 83.623 -10.757 5.522 1.00 1.00 N ATOM 0 H HIS X 8 79.604 -15.400 6.353 1.00 1.00 H new ATOM 0 HA HIS X 8 80.846 -13.401 8.006 1.00 1.00 H new ATOM 0 HB2 HIS X 8 81.969 -14.687 6.158 1.00 1.00 H new ATOM 0 HB3 HIS X 8 80.968 -13.858 4.983 1.00 1.00 H new ATOM 0 HD2 HIS X 8 82.046 -11.433 4.147 1.00 1.00 H new ATOM 0 HE1 HIS X 8 84.812 -10.888 7.293 1.00 1.00 H new ATOM 0 HE2 HIS X 8 83.992 -9.921 5.070 1.00 1.00 H new ATOM 123 N GLU X 9 78.741 -12.334 5.684 1.00 1.00 N ATOM 124 CA GLU X 9 77.938 -11.139 5.301 1.00 1.00 C ATOM 125 C GLU X 9 77.051 -10.723 6.476 1.00 1.00 C ATOM 126 O GLU X 9 76.831 -9.553 6.717 1.00 1.00 O ATOM 127 CB GLU X 9 77.062 -11.479 4.092 1.00 1.00 C ATOM 128 CG GLU X 9 77.943 -11.649 2.853 1.00 1.00 C ATOM 129 CD GLU X 9 77.074 -12.061 1.663 1.00 1.00 C ATOM 130 OE1 GLU X 9 75.866 -12.106 1.824 1.00 1.00 O ATOM 131 OE2 GLU X 9 77.633 -12.323 0.610 1.00 1.00 O ATOM 0 H GLU X 9 78.586 -13.163 5.111 1.00 1.00 H new ATOM 0 HA GLU X 9 78.607 -10.318 5.044 1.00 1.00 H new ATOM 0 HB2 GLU X 9 76.502 -12.395 4.281 1.00 1.00 H new ATOM 0 HB3 GLU X 9 76.331 -10.688 3.925 1.00 1.00 H new ATOM 0 HG2 GLU X 9 78.463 -10.717 2.632 1.00 1.00 H new ATOM 0 HG3 GLU X 9 78.707 -12.404 3.038 1.00 1.00 H new ATOM 138 N ARG X 10 76.540 -11.674 7.209 1.00 1.00 N ATOM 139 CA ARG X 10 75.673 -11.336 8.373 1.00 1.00 C ATOM 140 C ARG X 10 76.470 -10.511 9.385 1.00 1.00 C ATOM 141 O ARG X 10 75.983 -9.543 9.933 1.00 1.00 O ATOM 142 CB ARG X 10 75.186 -12.626 9.038 1.00 1.00 C ATOM 143 CG ARG X 10 74.105 -13.273 8.169 1.00 1.00 C ATOM 144 CD ARG X 10 73.643 -14.579 8.816 1.00 1.00 C ATOM 145 NE ARG X 10 72.619 -15.229 7.951 1.00 1.00 N ATOM 146 CZ ARG X 10 71.904 -16.218 8.414 1.00 1.00 C ATOM 147 NH1 ARG X 10 72.085 -16.637 9.637 1.00 1.00 N ATOM 148 NH2 ARG X 10 71.008 -16.787 7.655 1.00 1.00 N ATOM 0 H ARG X 10 76.686 -12.671 7.052 1.00 1.00 H new ATOM 0 HA ARG X 10 74.816 -10.757 8.029 1.00 1.00 H new ATOM 0 HB2 ARG X 10 76.020 -13.315 9.173 1.00 1.00 H new ATOM 0 HB3 ARG X 10 74.789 -12.409 10.029 1.00 1.00 H new ATOM 0 HG2 ARG X 10 73.261 -12.593 8.054 1.00 1.00 H new ATOM 0 HG3 ARG X 10 74.495 -13.468 7.170 1.00 1.00 H new ATOM 0 HD2 ARG X 10 74.492 -15.247 8.957 1.00 1.00 H new ATOM 0 HD3 ARG X 10 73.227 -14.380 9.804 1.00 1.00 H new ATOM 0 HE ARG X 10 72.476 -14.901 6.996 1.00 1.00 H new ATOM 0 HH11 ARG X 10 72.785 -16.192 10.230 1.00 1.00 H new ATOM 0 HH12 ARG X 10 71.526 -17.410 9.999 1.00 1.00 H new ATOM 0 HH21 ARG X 10 70.866 -16.459 6.700 1.00 1.00 H new ATOM 0 HH22 ARG X 10 70.449 -17.560 8.017 1.00 1.00 H new ATOM 162 N TYR X 11 77.694 -10.886 9.638 1.00 1.00 N ATOM 163 CA TYR X 11 78.525 -10.110 10.600 1.00 1.00 C ATOM 164 C TYR X 11 78.667 -8.670 10.104 1.00 1.00 C ATOM 165 O TYR X 11 78.699 -7.736 10.882 1.00 1.00 O ATOM 166 CB TYR X 11 79.912 -10.749 10.710 1.00 1.00 C ATOM 167 CG TYR X 11 80.751 -9.965 11.689 1.00 1.00 C ATOM 168 CD1 TYR X 11 80.496 -10.056 13.062 1.00 1.00 C ATOM 169 CD2 TYR X 11 81.786 -9.146 11.223 1.00 1.00 C ATOM 170 CE1 TYR X 11 81.275 -9.329 13.971 1.00 1.00 C ATOM 171 CE2 TYR X 11 82.566 -8.418 12.132 1.00 1.00 C ATOM 172 CZ TYR X 11 82.310 -8.510 13.505 1.00 1.00 C ATOM 173 OH TYR X 11 83.078 -7.793 14.399 1.00 1.00 O ATOM 0 H TYR X 11 78.154 -11.695 9.220 1.00 1.00 H new ATOM 0 HA TYR X 11 78.045 -10.113 11.579 1.00 1.00 H new ATOM 0 HB2 TYR X 11 79.822 -11.784 11.039 1.00 1.00 H new ATOM 0 HB3 TYR X 11 80.395 -10.766 9.733 1.00 1.00 H new ATOM 0 HD1 TYR X 11 79.697 -10.688 13.421 1.00 1.00 H new ATOM 0 HD2 TYR X 11 81.984 -9.075 10.164 1.00 1.00 H new ATOM 0 HE1 TYR X 11 81.077 -9.400 15.030 1.00 1.00 H new ATOM 0 HE2 TYR X 11 83.365 -7.786 11.773 1.00 1.00 H new ATOM 0 HH TYR X 11 83.753 -7.277 13.910 1.00 1.00 H new ATOM 183 N VAL X 12 78.751 -8.480 8.816 1.00 1.00 N ATOM 184 CA VAL X 12 78.887 -7.098 8.275 1.00 1.00 C ATOM 185 C VAL X 12 77.668 -6.273 8.684 1.00 1.00 C ATOM 186 O VAL X 12 77.786 -5.141 9.108 1.00 1.00 O ATOM 187 CB VAL X 12 78.975 -7.152 6.750 1.00 1.00 C ATOM 188 CG1 VAL X 12 79.184 -5.740 6.201 1.00 1.00 C ATOM 189 CG2 VAL X 12 80.154 -8.036 6.339 1.00 1.00 C ATOM 0 H VAL X 12 78.731 -9.221 8.115 1.00 1.00 H new ATOM 0 HA VAL X 12 79.791 -6.638 8.674 1.00 1.00 H new ATOM 0 HB VAL X 12 78.051 -7.566 6.347 1.00 1.00 H new ATOM 0 HG11 VAL X 12 79.247 -5.778 5.113 1.00 1.00 H new ATOM 0 HG12 VAL X 12 78.346 -5.108 6.494 1.00 1.00 H new ATOM 0 HG13 VAL X 12 80.109 -5.326 6.604 1.00 1.00 H new ATOM 0 HG21 VAL X 12 80.218 -8.075 5.252 1.00 1.00 H new ATOM 0 HG22 VAL X 12 81.078 -7.621 6.742 1.00 1.00 H new ATOM 0 HG23 VAL X 12 80.008 -9.043 6.730 1.00 1.00 H new ATOM 199 N GLU X 13 76.496 -6.832 8.561 1.00 1.00 N ATOM 200 CA GLU X 13 75.270 -6.078 8.940 1.00 1.00 C ATOM 201 C GLU X 13 75.375 -5.639 10.401 1.00 1.00 C ATOM 202 O GLU X 13 75.143 -4.493 10.731 1.00 1.00 O ATOM 203 CB GLU X 13 74.043 -6.975 8.764 1.00 1.00 C ATOM 204 CG GLU X 13 72.776 -6.175 9.073 1.00 1.00 C ATOM 205 CD GLU X 13 71.544 -7.043 8.812 1.00 1.00 C ATOM 206 OE1 GLU X 13 71.705 -8.249 8.712 1.00 1.00 O ATOM 207 OE2 GLU X 13 70.462 -6.490 8.716 1.00 1.00 O ATOM 0 H GLU X 13 76.335 -7.778 8.215 1.00 1.00 H new ATOM 0 HA GLU X 13 75.171 -5.200 8.302 1.00 1.00 H new ATOM 0 HB2 GLU X 13 74.004 -7.359 7.745 1.00 1.00 H new ATOM 0 HB3 GLU X 13 74.112 -7.837 9.427 1.00 1.00 H new ATOM 0 HG2 GLU X 13 72.787 -5.844 10.112 1.00 1.00 H new ATOM 0 HG3 GLU X 13 72.740 -5.279 8.454 1.00 1.00 H new ATOM 214 N GLN X 14 75.725 -6.539 11.280 1.00 1.00 N ATOM 215 CA GLN X 14 75.853 -6.159 12.713 1.00 1.00 C ATOM 216 C GLN X 14 76.951 -5.106 12.850 1.00 1.00 C ATOM 217 O GLN X 14 76.847 -4.184 13.634 1.00 1.00 O ATOM 218 CB GLN X 14 76.224 -7.394 13.538 1.00 1.00 C ATOM 219 CG GLN X 14 76.283 -7.019 15.021 1.00 1.00 C ATOM 220 CD GLN X 14 76.495 -8.281 15.859 1.00 1.00 C ATOM 221 OE1 GLN X 14 76.246 -9.379 15.400 1.00 1.00 O ATOM 222 NE2 GLN X 14 76.947 -8.172 17.078 1.00 1.00 N ATOM 0 H GLN X 14 75.927 -7.516 11.068 1.00 1.00 H new ATOM 0 HA GLN X 14 74.907 -5.756 13.074 1.00 1.00 H new ATOM 0 HB2 GLN X 14 75.489 -8.184 13.381 1.00 1.00 H new ATOM 0 HB3 GLN X 14 77.188 -7.786 13.212 1.00 1.00 H new ATOM 0 HG2 GLN X 14 77.095 -6.313 15.196 1.00 1.00 H new ATOM 0 HG3 GLN X 14 75.359 -6.523 15.319 1.00 1.00 H new ATOM 0 HE21 GLN X 14 77.156 -7.251 17.464 1.00 1.00 H new ATOM 0 HE22 GLN X 14 77.091 -9.007 17.645 1.00 1.00 H new ATOM 231 N LEU X 15 78.010 -5.242 12.101 1.00 1.00 N ATOM 232 CA LEU X 15 79.119 -4.253 12.200 1.00 1.00 C ATOM 233 C LEU X 15 78.583 -2.873 11.817 1.00 1.00 C ATOM 234 O LEU X 15 78.877 -1.882 12.456 1.00 1.00 O ATOM 235 CB LEU X 15 80.245 -4.650 11.244 1.00 1.00 C ATOM 236 CG LEU X 15 81.374 -3.623 11.333 1.00 1.00 C ATOM 237 CD1 LEU X 15 81.924 -3.592 12.760 1.00 1.00 C ATOM 238 CD2 LEU X 15 82.493 -4.013 10.364 1.00 1.00 C ATOM 0 H LEU X 15 78.155 -5.993 11.426 1.00 1.00 H new ATOM 0 HA LEU X 15 79.507 -4.230 13.218 1.00 1.00 H new ATOM 0 HB2 LEU X 15 80.620 -5.641 11.498 1.00 1.00 H new ATOM 0 HB3 LEU X 15 79.868 -4.704 10.223 1.00 1.00 H new ATOM 0 HG LEU X 15 80.991 -2.637 11.070 1.00 1.00 H new ATOM 0 HD11 LEU X 15 82.729 -2.860 12.824 1.00 1.00 H new ATOM 0 HD12 LEU X 15 81.127 -3.317 13.451 1.00 1.00 H new ATOM 0 HD13 LEU X 15 82.308 -4.577 13.023 1.00 1.00 H new ATOM 0 HD21 LEU X 15 83.299 -3.282 10.426 1.00 1.00 H new ATOM 0 HD22 LEU X 15 82.876 -4.999 10.628 1.00 1.00 H new ATOM 0 HD23 LEU X 15 82.102 -4.036 9.347 1.00 1.00 H new ATOM 250 N LYS X 16 77.799 -2.805 10.774 1.00 1.00 N ATOM 251 CA LYS X 16 77.242 -1.494 10.339 1.00 1.00 C ATOM 252 C LYS X 16 76.384 -0.906 11.460 1.00 1.00 C ATOM 253 O LYS X 16 76.375 0.287 11.686 1.00 1.00 O ATOM 254 CB LYS X 16 76.382 -1.694 9.090 1.00 1.00 C ATOM 255 CG LYS X 16 75.878 -0.337 8.595 1.00 1.00 C ATOM 256 CD LYS X 16 75.094 -0.527 7.296 1.00 1.00 C ATOM 257 CE LYS X 16 74.599 0.830 6.794 1.00 1.00 C ATOM 258 NZ LYS X 16 73.847 0.644 5.522 1.00 1.00 N ATOM 0 H LYS X 16 77.521 -3.604 10.204 1.00 1.00 H new ATOM 0 HA LYS X 16 78.060 -0.810 10.111 1.00 1.00 H new ATOM 0 HB2 LYS X 16 76.964 -2.185 8.310 1.00 1.00 H new ATOM 0 HB3 LYS X 16 75.539 -2.346 9.317 1.00 1.00 H new ATOM 0 HG2 LYS X 16 75.243 0.125 9.351 1.00 1.00 H new ATOM 0 HG3 LYS X 16 76.719 0.337 8.430 1.00 1.00 H new ATOM 0 HD2 LYS X 16 75.727 -0.996 6.543 1.00 1.00 H new ATOM 0 HD3 LYS X 16 74.249 -1.195 7.463 1.00 1.00 H new ATOM 0 HE2 LYS X 16 73.958 1.295 7.543 1.00 1.00 H new ATOM 0 HE3 LYS X 16 75.443 1.501 6.635 1.00 1.00 H new ATOM 0 HZ1 LYS X 16 74.132 1.375 4.840 1.00 1.00 H new ATOM 0 HZ2 LYS X 16 74.056 -0.296 5.129 1.00 1.00 H new ATOM 0 HZ3 LYS X 16 72.827 0.723 5.707 1.00 1.00 H new ATOM 272 N GLN X 17 75.663 -1.734 12.165 1.00 1.00 N ATOM 273 CA GLN X 17 74.807 -1.215 13.268 1.00 1.00 C ATOM 274 C GLN X 17 75.683 -0.465 14.271 1.00 1.00 C ATOM 275 O GLN X 17 75.380 0.642 14.670 1.00 1.00 O ATOM 276 CB GLN X 17 74.112 -2.383 13.970 1.00 1.00 C ATOM 277 CG GLN X 17 73.117 -3.038 13.010 1.00 1.00 C ATOM 278 CD GLN X 17 72.537 -4.298 13.654 1.00 1.00 C ATOM 279 OE1 GLN X 17 72.803 -4.584 14.805 1.00 1.00 O ATOM 280 NE2 GLN X 17 71.748 -5.069 12.957 1.00 1.00 N ATOM 0 H GLN X 17 75.630 -2.744 12.026 1.00 1.00 H new ATOM 0 HA GLN X 17 74.054 -0.540 12.861 1.00 1.00 H new ATOM 0 HB2 GLN X 17 74.850 -3.114 14.300 1.00 1.00 H new ATOM 0 HB3 GLN X 17 73.594 -2.029 14.861 1.00 1.00 H new ATOM 0 HG2 GLN X 17 72.316 -2.339 12.768 1.00 1.00 H new ATOM 0 HG3 GLN X 17 73.613 -3.291 12.073 1.00 1.00 H new ATOM 0 HE21 GLN X 17 71.524 -4.830 11.991 1.00 1.00 H new ATOM 0 HE22 GLN X 17 71.355 -5.911 13.378 1.00 1.00 H new ATOM 289 N ALA X 18 76.771 -1.060 14.680 1.00 1.00 N ATOM 290 CA ALA X 18 77.671 -0.383 15.654 1.00 1.00 C ATOM 291 C ALA X 18 78.348 0.808 14.977 1.00 1.00 C ATOM 292 O ALA X 18 78.536 1.849 15.575 1.00 1.00 O ATOM 293 CB ALA X 18 78.736 -1.370 16.137 1.00 1.00 C ATOM 0 H ALA X 18 77.075 -1.987 14.381 1.00 1.00 H new ATOM 0 HA ALA X 18 77.088 -0.034 16.506 1.00 1.00 H new ATOM 0 HB1 ALA X 18 79.395 -0.874 16.850 1.00 1.00 H new ATOM 0 HB2 ALA X 18 78.253 -2.220 16.619 1.00 1.00 H new ATOM 0 HB3 ALA X 18 79.320 -1.720 15.286 1.00 1.00 H new ATOM 299 N LEU X 19 78.717 0.663 13.734 1.00 1.00 N ATOM 300 CA LEU X 19 79.384 1.789 13.024 1.00 1.00 C ATOM 301 C LEU X 19 78.407 2.960 12.903 1.00 1.00 C ATOM 302 O LEU X 19 78.773 4.107 13.064 1.00 1.00 O ATOM 303 CB LEU X 19 79.810 1.332 11.626 1.00 1.00 C ATOM 304 CG LEU X 19 80.735 2.379 11.005 1.00 1.00 C ATOM 305 CD1 LEU X 19 82.080 2.372 11.732 1.00 1.00 C ATOM 306 CD2 LEU X 19 80.956 2.048 9.526 1.00 1.00 C ATOM 0 H LEU X 19 78.586 -0.184 13.181 1.00 1.00 H new ATOM 0 HA LEU X 19 80.264 2.104 13.585 1.00 1.00 H new ATOM 0 HB2 LEU X 19 80.320 0.371 11.686 1.00 1.00 H new ATOM 0 HB3 LEU X 19 78.932 1.188 10.996 1.00 1.00 H new ATOM 0 HG LEU X 19 80.279 3.365 11.096 1.00 1.00 H new ATOM 0 HD11 LEU X 19 82.738 3.119 11.288 1.00 1.00 H new ATOM 0 HD12 LEU X 19 81.925 2.605 12.785 1.00 1.00 H new ATOM 0 HD13 LEU X 19 82.537 1.387 11.642 1.00 1.00 H new ATOM 0 HD21 LEU X 19 81.615 2.793 9.081 1.00 1.00 H new ATOM 0 HD22 LEU X 19 81.412 1.062 9.438 1.00 1.00 H new ATOM 0 HD23 LEU X 19 79.999 2.053 9.005 1.00 1.00 H new ATOM 318 N LYS X 20 77.163 2.679 12.622 1.00 1.00 N ATOM 319 CA LYS X 20 76.162 3.775 12.497 1.00 1.00 C ATOM 320 C LYS X 20 76.036 4.497 13.839 1.00 1.00 C ATOM 321 O LYS X 20 75.894 5.703 13.896 1.00 1.00 O ATOM 322 CB LYS X 20 74.807 3.184 12.105 1.00 1.00 C ATOM 323 CG LYS X 20 73.797 4.315 11.902 1.00 1.00 C ATOM 324 CD LYS X 20 72.464 3.732 11.428 1.00 1.00 C ATOM 325 CE LYS X 20 71.451 4.862 11.232 1.00 1.00 C ATOM 326 NZ LYS X 20 70.161 4.295 10.750 1.00 1.00 N ATOM 0 H LYS X 20 76.798 1.738 12.474 1.00 1.00 H new ATOM 0 HA LYS X 20 76.484 4.481 11.731 1.00 1.00 H new ATOM 0 HB2 LYS X 20 74.904 2.600 11.190 1.00 1.00 H new ATOM 0 HB3 LYS X 20 74.456 2.504 12.881 1.00 1.00 H new ATOM 0 HG2 LYS X 20 73.656 4.862 12.834 1.00 1.00 H new ATOM 0 HG3 LYS X 20 74.175 5.027 11.169 1.00 1.00 H new ATOM 0 HD2 LYS X 20 72.605 3.190 10.493 1.00 1.00 H new ATOM 0 HD3 LYS X 20 72.088 3.016 12.159 1.00 1.00 H new ATOM 0 HE2 LYS X 20 71.298 5.395 12.171 1.00 1.00 H new ATOM 0 HE3 LYS X 20 71.833 5.587 10.513 1.00 1.00 H new ATOM 0 HZ1 LYS X 20 69.472 5.063 10.617 1.00 1.00 H new ATOM 0 HZ2 LYS X 20 70.313 3.806 9.845 1.00 1.00 H new ATOM 0 HZ3 LYS X 20 69.795 3.620 11.451 1.00 1.00 H new ATOM 340 N THR X 21 76.089 3.769 14.920 1.00 1.00 N ATOM 341 CA THR X 21 75.968 4.411 16.258 1.00 1.00 C ATOM 342 C THR X 21 77.157 5.348 16.478 1.00 1.00 C ATOM 343 O THR X 21 77.158 6.164 17.379 1.00 1.00 O ATOM 344 CB THR X 21 75.960 3.332 17.343 1.00 1.00 C ATOM 345 OG1 THR X 21 77.212 2.659 17.347 1.00 1.00 O ATOM 346 CG2 THR X 21 74.841 2.328 17.057 1.00 1.00 C ATOM 0 H THR X 21 76.211 2.756 14.934 1.00 1.00 H new ATOM 0 HA THR X 21 75.040 4.981 16.308 1.00 1.00 H new ATOM 0 HB THR X 21 75.791 3.794 18.316 1.00 1.00 H new ATOM 0 HG1 THR X 21 77.488 2.477 16.425 1.00 1.00 H new ATOM 0 HG21 THR X 21 74.835 1.559 17.830 1.00 1.00 H new ATOM 0 HG22 THR X 21 73.881 2.845 17.052 1.00 1.00 H new ATOM 0 HG23 THR X 21 75.008 1.864 16.085 1.00 1.00 H new ATOM 354 N ARG X 22 78.170 5.239 15.662 1.00 1.00 N ATOM 355 CA ARG X 22 79.355 6.125 15.827 1.00 1.00 C ATOM 356 C ARG X 22 79.164 7.384 14.981 1.00 1.00 C ATOM 357 O ARG X 22 80.058 8.198 14.851 1.00 1.00 O ATOM 358 CB ARG X 22 80.612 5.386 15.362 1.00 1.00 C ATOM 359 CG ARG X 22 80.923 4.249 16.336 1.00 1.00 C ATOM 360 CD ARG X 22 82.157 3.485 15.852 1.00 1.00 C ATOM 361 NE ARG X 22 82.448 2.363 16.790 1.00 1.00 N ATOM 362 CZ ARG X 22 83.606 1.763 16.751 1.00 1.00 C ATOM 363 NH1 ARG X 22 84.511 2.140 15.889 1.00 1.00 N ATOM 364 NH2 ARG X 22 83.861 0.782 17.576 1.00 1.00 N ATOM 0 H ARG X 22 78.227 4.575 14.890 1.00 1.00 H new ATOM 0 HA ARG X 22 79.463 6.401 16.876 1.00 1.00 H new ATOM 0 HB2 ARG X 22 80.463 4.989 14.358 1.00 1.00 H new ATOM 0 HB3 ARG X 22 81.454 6.076 15.310 1.00 1.00 H new ATOM 0 HG2 ARG X 22 81.099 4.649 17.335 1.00 1.00 H new ATOM 0 HG3 ARG X 22 80.070 3.574 16.408 1.00 1.00 H new ATOM 0 HD2 ARG X 22 81.987 3.098 14.847 1.00 1.00 H new ATOM 0 HD3 ARG X 22 83.014 4.156 15.794 1.00 1.00 H new ATOM 0 HE ARG X 22 81.742 2.064 17.462 1.00 1.00 H new ATOM 0 HH11 ARG X 22 84.314 2.905 15.244 1.00 1.00 H new ATOM 0 HH12 ARG X 22 85.416 1.669 15.860 1.00 1.00 H new ATOM 0 HH21 ARG X 22 83.155 0.486 18.250 1.00 1.00 H new ATOM 0 HH22 ARG X 22 84.766 0.313 17.546 1.00 1.00 H new ATOM 378 N GLY X 23 78.008 7.551 14.401 1.00 1.00 N ATOM 379 CA GLY X 23 77.762 8.764 13.572 1.00 1.00 C ATOM 380 C GLY X 23 78.113 8.459 12.115 1.00 1.00 C ATOM 381 O GLY X 23 78.652 9.288 11.409 1.00 1.00 O ATOM 0 H GLY X 23 77.224 6.901 14.465 1.00 1.00 H new ATOM 0 HA2 GLY X 23 76.718 9.067 13.651 1.00 1.00 H new ATOM 0 HA3 GLY X 23 78.364 9.596 13.937 1.00 1.00 H new ATOM 385 N VAL X 24 77.811 7.274 11.659 1.00 1.00 N ATOM 386 CA VAL X 24 78.132 6.911 10.250 1.00 1.00 C ATOM 387 C VAL X 24 76.837 6.605 9.496 1.00 1.00 C ATOM 388 O VAL X 24 75.985 5.885 9.976 1.00 1.00 O ATOM 389 CB VAL X 24 79.035 5.677 10.234 1.00 1.00 C ATOM 390 CG1 VAL X 24 79.146 5.143 8.806 1.00 1.00 C ATOM 391 CG2 VAL X 24 80.427 6.059 10.744 1.00 1.00 C ATOM 0 H VAL X 24 77.355 6.541 12.202 1.00 1.00 H new ATOM 0 HA VAL X 24 78.646 7.743 9.768 1.00 1.00 H new ATOM 0 HB VAL X 24 78.609 4.907 10.877 1.00 1.00 H new ATOM 0 HG11 VAL X 24 79.790 4.263 8.795 1.00 1.00 H new ATOM 0 HG12 VAL X 24 78.155 4.872 8.441 1.00 1.00 H new ATOM 0 HG13 VAL X 24 79.572 5.912 8.162 1.00 1.00 H new ATOM 0 HG21 VAL X 24 81.072 5.180 10.733 1.00 1.00 H new ATOM 0 HG22 VAL X 24 80.852 6.829 10.100 1.00 1.00 H new ATOM 0 HG23 VAL X 24 80.350 6.440 11.762 1.00 1.00 H new ATOM 401 N LYS X 25 76.682 7.147 8.319 1.00 1.00 N ATOM 402 CA LYS X 25 75.435 6.890 7.545 1.00 1.00 C ATOM 403 C LYS X 25 75.804 6.505 6.112 1.00 1.00 C ATOM 404 O LYS X 25 76.045 7.352 5.273 1.00 1.00 O ATOM 405 CB LYS X 25 74.576 8.155 7.530 1.00 1.00 C ATOM 406 CG LYS X 25 74.108 8.473 8.952 1.00 1.00 C ATOM 407 CD LYS X 25 73.279 9.759 8.941 1.00 1.00 C ATOM 408 CE LYS X 25 72.802 10.070 10.361 1.00 1.00 C ATOM 409 NZ LYS X 25 71.995 11.323 10.351 1.00 1.00 N ATOM 0 H LYS X 25 77.362 7.754 7.862 1.00 1.00 H new ATOM 0 HA LYS X 25 74.875 6.078 8.009 1.00 1.00 H new ATOM 0 HB2 LYS X 25 75.149 8.991 7.129 1.00 1.00 H new ATOM 0 HB3 LYS X 25 73.716 8.015 6.876 1.00 1.00 H new ATOM 0 HG2 LYS X 25 73.513 7.648 9.344 1.00 1.00 H new ATOM 0 HG3 LYS X 25 74.968 8.588 9.612 1.00 1.00 H new ATOM 0 HD2 LYS X 25 73.876 10.586 8.557 1.00 1.00 H new ATOM 0 HD3 LYS X 25 72.424 9.647 8.275 1.00 1.00 H new ATOM 0 HE2 LYS X 25 72.204 9.243 10.745 1.00 1.00 H new ATOM 0 HE3 LYS X 25 73.657 10.181 11.027 1.00 1.00 H new ATOM 0 HZ1 LYS X 25 71.671 11.535 11.316 1.00 1.00 H new ATOM 0 HZ2 LYS X 25 72.579 12.109 10.002 1.00 1.00 H new ATOM 0 HZ3 LYS X 25 71.171 11.200 9.728 1.00 1.00 H new ATOM 423 N VAL X 26 75.853 5.233 5.824 1.00 1.00 N ATOM 424 CA VAL X 26 76.212 4.792 4.448 1.00 1.00 C ATOM 425 C VAL X 26 75.263 3.677 4.008 1.00 1.00 C ATOM 426 O VAL X 26 74.608 3.050 4.816 1.00 1.00 O ATOM 427 CB VAL X 26 77.653 4.275 4.437 1.00 1.00 C ATOM 428 CG1 VAL X 26 78.612 5.424 4.751 1.00 1.00 C ATOM 429 CG2 VAL X 26 77.805 3.179 5.494 1.00 1.00 C ATOM 0 H VAL X 26 75.659 4.480 6.484 1.00 1.00 H new ATOM 0 HA VAL X 26 76.125 5.634 3.761 1.00 1.00 H new ATOM 0 HB VAL X 26 77.887 3.869 3.453 1.00 1.00 H new ATOM 0 HG11 VAL X 26 79.637 5.055 4.743 1.00 1.00 H new ATOM 0 HG12 VAL X 26 78.502 6.206 3.999 1.00 1.00 H new ATOM 0 HG13 VAL X 26 78.381 5.832 5.735 1.00 1.00 H new ATOM 0 HG21 VAL X 26 78.830 2.808 5.489 1.00 1.00 H new ATOM 0 HG22 VAL X 26 77.571 3.587 6.477 1.00 1.00 H new ATOM 0 HG23 VAL X 26 77.122 2.360 5.270 1.00 1.00 H new ATOM 439 N LYS X 27 75.185 3.424 2.729 1.00 1.00 N ATOM 440 CA LYS X 27 74.277 2.351 2.236 1.00 1.00 C ATOM 441 C LYS X 27 74.893 0.984 2.537 1.00 1.00 C ATOM 442 O LYS X 27 76.094 0.810 2.491 1.00 1.00 O ATOM 443 CB LYS X 27 74.082 2.501 0.725 1.00 1.00 C ATOM 444 CG LYS X 27 73.348 3.812 0.432 1.00 1.00 C ATOM 445 CD LYS X 27 73.116 3.942 -1.075 1.00 1.00 C ATOM 446 CE LYS X 27 72.445 5.283 -1.375 1.00 1.00 C ATOM 447 NZ LYS X 27 71.050 5.268 -0.849 1.00 1.00 N ATOM 0 H LYS X 27 75.711 3.914 2.005 1.00 1.00 H new ATOM 0 HA LYS X 27 73.312 2.433 2.737 1.00 1.00 H new ATOM 0 HB2 LYS X 27 75.048 2.492 0.220 1.00 1.00 H new ATOM 0 HB3 LYS X 27 73.511 1.658 0.336 1.00 1.00 H new ATOM 0 HG2 LYS X 27 72.395 3.833 0.960 1.00 1.00 H new ATOM 0 HG3 LYS X 27 73.933 4.657 0.795 1.00 1.00 H new ATOM 0 HD2 LYS X 27 74.065 3.871 -1.607 1.00 1.00 H new ATOM 0 HD3 LYS X 27 72.490 3.123 -1.429 1.00 1.00 H new ATOM 0 HE2 LYS X 27 73.009 6.095 -0.917 1.00 1.00 H new ATOM 0 HE3 LYS X 27 72.438 5.466 -2.449 1.00 1.00 H new ATOM 0 HZ1 LYS X 27 70.519 6.067 -1.250 1.00 1.00 H new ATOM 0 HZ2 LYS X 27 70.588 4.376 -1.117 1.00 1.00 H new ATOM 0 HZ3 LYS X 27 71.069 5.351 0.188 1.00 1.00 H new ATOM 461 N TYR X 28 74.079 0.011 2.845 1.00 1.00 N ATOM 462 CA TYR X 28 74.623 -1.342 3.147 1.00 1.00 C ATOM 463 C TYR X 28 75.344 -1.884 1.912 1.00 1.00 C ATOM 464 O TYR X 28 76.364 -2.535 2.012 1.00 1.00 O ATOM 465 CB TYR X 28 73.474 -2.281 3.524 1.00 1.00 C ATOM 466 CG TYR X 28 74.012 -3.676 3.742 1.00 1.00 C ATOM 467 CD1 TYR X 28 74.700 -3.983 4.922 1.00 1.00 C ATOM 468 CD2 TYR X 28 73.822 -4.661 2.765 1.00 1.00 C ATOM 469 CE1 TYR X 28 75.199 -5.276 5.125 1.00 1.00 C ATOM 470 CE2 TYR X 28 74.321 -5.953 2.968 1.00 1.00 C ATOM 471 CZ TYR X 28 75.010 -6.261 4.147 1.00 1.00 C ATOM 472 OH TYR X 28 75.502 -7.535 4.347 1.00 1.00 O ATOM 0 H TYR X 28 73.064 0.095 2.900 1.00 1.00 H new ATOM 0 HA TYR X 28 75.324 -1.278 3.979 1.00 1.00 H new ATOM 0 HB2 TYR X 28 72.981 -1.925 4.429 1.00 1.00 H new ATOM 0 HB3 TYR X 28 72.723 -2.289 2.734 1.00 1.00 H new ATOM 0 HD1 TYR X 28 74.846 -3.223 5.675 1.00 1.00 H new ATOM 0 HD2 TYR X 28 73.291 -4.424 1.855 1.00 1.00 H new ATOM 0 HE1 TYR X 28 75.729 -5.514 6.035 1.00 1.00 H new ATOM 0 HE2 TYR X 28 74.174 -6.713 2.215 1.00 1.00 H new ATOM 0 HH TYR X 28 75.284 -8.095 3.573 1.00 1.00 H new ATOM 482 N ALA X 29 74.820 -1.617 0.746 1.00 1.00 N ATOM 483 CA ALA X 29 75.472 -2.118 -0.496 1.00 1.00 C ATOM 484 C ALA X 29 76.924 -1.641 -0.538 1.00 1.00 C ATOM 485 O ALA X 29 77.799 -2.325 -1.031 1.00 1.00 O ATOM 486 CB ALA X 29 74.725 -1.580 -1.718 1.00 1.00 C ATOM 0 H ALA X 29 73.969 -1.074 0.601 1.00 1.00 H new ATOM 0 HA ALA X 29 75.446 -3.208 -0.504 1.00 1.00 H new ATOM 0 HB1 ALA X 29 75.202 -1.947 -2.627 1.00 1.00 H new ATOM 0 HB2 ALA X 29 73.689 -1.919 -1.690 1.00 1.00 H new ATOM 0 HB3 ALA X 29 74.750 -0.490 -1.709 1.00 1.00 H new ATOM 492 N ASP X 30 77.188 -0.471 -0.024 1.00 1.00 N ATOM 493 CA ASP X 30 78.584 0.049 -0.037 1.00 1.00 C ATOM 494 C ASP X 30 79.477 -0.869 0.801 1.00 1.00 C ATOM 495 O ASP X 30 80.612 -1.129 0.457 1.00 1.00 O ATOM 496 CB ASP X 30 78.609 1.461 0.553 1.00 1.00 C ATOM 497 CG ASP X 30 77.942 2.433 -0.421 1.00 1.00 C ATOM 498 OD1 ASP X 30 77.631 2.014 -1.524 1.00 1.00 O ATOM 499 OD2 ASP X 30 77.754 3.579 -0.048 1.00 1.00 O ATOM 0 H ASP X 30 76.498 0.146 0.404 1.00 1.00 H new ATOM 0 HA ASP X 30 78.951 0.078 -1.063 1.00 1.00 H new ATOM 0 HB2 ASP X 30 78.089 1.476 1.511 1.00 1.00 H new ATOM 0 HB3 ASP X 30 79.637 1.769 0.744 1.00 1.00 H new ATOM 504 N LEU X 31 78.972 -1.362 1.898 1.00 1.00 N ATOM 505 CA LEU X 31 79.790 -2.266 2.752 1.00 1.00 C ATOM 506 C LEU X 31 80.174 -3.512 1.953 1.00 1.00 C ATOM 507 O LEU X 31 81.300 -3.965 1.992 1.00 1.00 O ATOM 508 CB LEU X 31 78.977 -2.679 3.982 1.00 1.00 C ATOM 509 CG LEU X 31 79.071 -1.584 5.046 1.00 1.00 C ATOM 510 CD1 LEU X 31 80.501 -1.514 5.584 1.00 1.00 C ATOM 511 CD2 LEU X 31 78.695 -0.238 4.424 1.00 1.00 C ATOM 0 H LEU X 31 78.029 -1.178 2.239 1.00 1.00 H new ATOM 0 HA LEU X 31 80.693 -1.746 3.071 1.00 1.00 H new ATOM 0 HB2 LEU X 31 77.936 -2.843 3.705 1.00 1.00 H new ATOM 0 HB3 LEU X 31 79.353 -3.621 4.380 1.00 1.00 H new ATOM 0 HG LEU X 31 78.387 -1.813 5.863 1.00 1.00 H new ATOM 0 HD11 LEU X 31 80.567 -0.733 6.342 1.00 1.00 H new ATOM 0 HD12 LEU X 31 80.771 -2.473 6.026 1.00 1.00 H new ATOM 0 HD13 LEU X 31 81.186 -1.286 4.768 1.00 1.00 H new ATOM 0 HD21 LEU X 31 78.761 0.544 5.181 1.00 1.00 H new ATOM 0 HD22 LEU X 31 79.380 -0.011 3.607 1.00 1.00 H new ATOM 0 HD23 LEU X 31 77.676 -0.286 4.041 1.00 1.00 H new ATOM 523 N LEU X 32 79.244 -4.072 1.228 1.00 1.00 N ATOM 524 CA LEU X 32 79.558 -5.279 0.413 1.00 1.00 C ATOM 525 C LEU X 32 80.583 -4.913 -0.663 1.00 1.00 C ATOM 526 O LEU X 32 81.513 -5.650 -0.924 1.00 1.00 O ATOM 527 CB LEU X 32 78.279 -5.793 -0.251 1.00 1.00 C ATOM 528 CG LEU X 32 77.317 -6.305 0.821 1.00 1.00 C ATOM 529 CD1 LEU X 32 75.979 -6.672 0.174 1.00 1.00 C ATOM 530 CD2 LEU X 32 77.914 -7.544 1.491 1.00 1.00 C ATOM 0 H LEU X 32 78.280 -3.745 1.165 1.00 1.00 H new ATOM 0 HA LEU X 32 79.969 -6.057 1.056 1.00 1.00 H new ATOM 0 HB2 LEU X 32 77.809 -4.995 -0.825 1.00 1.00 H new ATOM 0 HB3 LEU X 32 78.517 -6.592 -0.953 1.00 1.00 H new ATOM 0 HG LEU X 32 77.159 -5.527 1.568 1.00 1.00 H new ATOM 0 HD11 LEU X 32 75.293 -7.037 0.938 1.00 1.00 H new ATOM 0 HD12 LEU X 32 75.553 -5.791 -0.305 1.00 1.00 H new ATOM 0 HD13 LEU X 32 76.137 -7.450 -0.573 1.00 1.00 H new ATOM 0 HD21 LEU X 32 77.229 -7.910 2.256 1.00 1.00 H new ATOM 0 HD22 LEU X 32 78.072 -8.321 0.743 1.00 1.00 H new ATOM 0 HD23 LEU X 32 78.867 -7.285 1.952 1.00 1.00 H new ATOM 542 N LYS X 33 80.422 -3.781 -1.289 1.00 1.00 N ATOM 543 CA LYS X 33 81.390 -3.371 -2.345 1.00 1.00 C ATOM 544 C LYS X 33 82.778 -3.200 -1.724 1.00 1.00 C ATOM 545 O LYS X 33 83.780 -3.543 -2.318 1.00 1.00 O ATOM 546 CB LYS X 33 80.939 -2.046 -2.965 1.00 1.00 C ATOM 547 CG LYS X 33 79.643 -2.262 -3.748 1.00 1.00 C ATOM 548 CD LYS X 33 79.141 -0.921 -4.287 1.00 1.00 C ATOM 549 CE LYS X 33 77.900 -1.148 -5.151 1.00 1.00 C ATOM 550 NZ LYS X 33 77.381 0.164 -5.631 1.00 1.00 N ATOM 0 H LYS X 33 79.663 -3.122 -1.116 1.00 1.00 H new ATOM 0 HA LYS X 33 81.431 -4.137 -3.119 1.00 1.00 H new ATOM 0 HB2 LYS X 33 80.784 -1.301 -2.184 1.00 1.00 H new ATOM 0 HB3 LYS X 33 81.715 -1.659 -3.626 1.00 1.00 H new ATOM 0 HG2 LYS X 33 79.815 -2.955 -4.571 1.00 1.00 H new ATOM 0 HG3 LYS X 33 78.888 -2.713 -3.104 1.00 1.00 H new ATOM 0 HD2 LYS X 33 78.904 -0.251 -3.460 1.00 1.00 H new ATOM 0 HD3 LYS X 33 79.922 -0.438 -4.874 1.00 1.00 H new ATOM 0 HE2 LYS X 33 78.147 -1.786 -6.000 1.00 1.00 H new ATOM 0 HE3 LYS X 33 77.133 -1.666 -4.575 1.00 1.00 H new ATOM 0 HZ1 LYS X 33 76.518 0.012 -6.190 1.00 1.00 H new ATOM 0 HZ2 LYS X 33 77.163 0.771 -4.815 1.00 1.00 H new ATOM 0 HZ3 LYS X 33 78.100 0.626 -6.223 1.00 1.00 H new ATOM 564 N PHE X 34 82.844 -2.673 -0.532 1.00 1.00 N ATOM 565 CA PHE X 34 84.167 -2.475 0.123 1.00 1.00 C ATOM 566 C PHE X 34 84.882 -3.821 0.245 1.00 1.00 C ATOM 567 O PHE X 34 86.032 -3.960 -0.125 1.00 1.00 O ATOM 568 CB PHE X 34 83.963 -1.877 1.517 1.00 1.00 C ATOM 569 CG PHE X 34 85.270 -1.904 2.272 1.00 1.00 C ATOM 570 CD1 PHE X 34 86.373 -1.189 1.789 1.00 1.00 C ATOM 571 CD2 PHE X 34 85.380 -2.643 3.455 1.00 1.00 C ATOM 572 CE1 PHE X 34 87.586 -1.214 2.489 1.00 1.00 C ATOM 573 CE2 PHE X 34 86.591 -2.668 4.157 1.00 1.00 C ATOM 574 CZ PHE X 34 87.694 -1.953 3.673 1.00 1.00 C ATOM 0 H PHE X 34 82.039 -2.371 0.016 1.00 1.00 H new ATOM 0 HA PHE X 34 84.771 -1.796 -0.478 1.00 1.00 H new ATOM 0 HB2 PHE X 34 83.599 -0.853 1.435 1.00 1.00 H new ATOM 0 HB3 PHE X 34 83.205 -2.442 2.060 1.00 1.00 H new ATOM 0 HD1 PHE X 34 86.288 -0.618 0.876 1.00 1.00 H new ATOM 0 HD2 PHE X 34 84.530 -3.195 3.827 1.00 1.00 H new ATOM 0 HE1 PHE X 34 88.437 -0.664 2.116 1.00 1.00 H new ATOM 0 HE2 PHE X 34 86.675 -3.238 5.071 1.00 1.00 H new ATOM 0 HZ PHE X 34 88.629 -1.972 4.214 1.00 1.00 H new ATOM 584 N PHE X 35 84.212 -4.814 0.762 1.00 1.00 N ATOM 585 CA PHE X 35 84.860 -6.147 0.919 1.00 1.00 C ATOM 586 C PHE X 35 85.234 -6.695 -0.459 1.00 1.00 C ATOM 587 O PHE X 35 86.300 -7.249 -0.649 1.00 1.00 O ATOM 588 CB PHE X 35 83.886 -7.111 1.599 1.00 1.00 C ATOM 589 CG PHE X 35 83.860 -6.832 3.083 1.00 1.00 C ATOM 590 CD1 PHE X 35 84.966 -7.160 3.877 1.00 1.00 C ATOM 591 CD2 PHE X 35 82.730 -6.246 3.667 1.00 1.00 C ATOM 592 CE1 PHE X 35 84.943 -6.903 5.253 1.00 1.00 C ATOM 593 CE2 PHE X 35 82.707 -5.989 5.042 1.00 1.00 C ATOM 594 CZ PHE X 35 83.813 -6.317 5.836 1.00 1.00 C ATOM 0 H PHE X 35 83.245 -4.760 1.082 1.00 1.00 H new ATOM 0 HA PHE X 35 85.758 -6.045 1.529 1.00 1.00 H new ATOM 0 HB2 PHE X 35 82.887 -6.994 1.178 1.00 1.00 H new ATOM 0 HB3 PHE X 35 84.190 -8.142 1.417 1.00 1.00 H new ATOM 0 HD1 PHE X 35 85.838 -7.612 3.427 1.00 1.00 H new ATOM 0 HD2 PHE X 35 81.876 -5.993 3.056 1.00 1.00 H new ATOM 0 HE1 PHE X 35 85.796 -7.157 5.864 1.00 1.00 H new ATOM 0 HE2 PHE X 35 81.835 -5.537 5.492 1.00 1.00 H new ATOM 0 HZ PHE X 35 83.794 -6.118 6.897 1.00 1.00 H new ATOM 604 N ASP X 36 84.367 -6.551 -1.423 1.00 1.00 N ATOM 605 CA ASP X 36 84.676 -7.067 -2.785 1.00 1.00 C ATOM 606 C ASP X 36 85.886 -6.318 -3.346 1.00 1.00 C ATOM 607 O ASP X 36 86.743 -6.894 -3.987 1.00 1.00 O ATOM 608 CB ASP X 36 83.470 -6.848 -3.702 1.00 1.00 C ATOM 609 CG ASP X 36 83.725 -7.521 -5.051 1.00 1.00 C ATOM 610 OD1 ASP X 36 84.827 -8.004 -5.253 1.00 1.00 O ATOM 611 OD2 ASP X 36 82.812 -7.544 -5.861 1.00 1.00 O ATOM 0 H ASP X 36 83.458 -6.098 -1.326 1.00 1.00 H new ATOM 0 HA ASP X 36 84.898 -8.133 -2.729 1.00 1.00 H new ATOM 0 HB2 ASP X 36 82.571 -7.259 -3.243 1.00 1.00 H new ATOM 0 HB3 ASP X 36 83.296 -5.781 -3.843 1.00 1.00 H new ATOM 616 N PHE X 37 85.962 -5.037 -3.110 1.00 1.00 N ATOM 617 CA PHE X 37 87.112 -4.248 -3.634 1.00 1.00 C ATOM 618 C PHE X 37 88.407 -4.734 -2.977 1.00 1.00 C ATOM 619 O PHE X 37 89.410 -4.932 -3.633 1.00 1.00 O ATOM 620 CB PHE X 37 86.903 -2.766 -3.314 1.00 1.00 C ATOM 621 CG PHE X 37 88.108 -1.976 -3.767 1.00 1.00 C ATOM 622 CD1 PHE X 37 88.422 -1.898 -5.129 1.00 1.00 C ATOM 623 CD2 PHE X 37 88.913 -1.323 -2.824 1.00 1.00 C ATOM 624 CE1 PHE X 37 89.539 -1.166 -5.549 1.00 1.00 C ATOM 625 CE2 PHE X 37 90.030 -0.592 -3.244 1.00 1.00 C ATOM 626 CZ PHE X 37 90.343 -0.513 -4.606 1.00 1.00 C ATOM 0 H PHE X 37 85.277 -4.502 -2.576 1.00 1.00 H new ATOM 0 HA PHE X 37 87.180 -4.380 -4.714 1.00 1.00 H new ATOM 0 HB2 PHE X 37 86.006 -2.399 -3.813 1.00 1.00 H new ATOM 0 HB3 PHE X 37 86.750 -2.633 -2.243 1.00 1.00 H new ATOM 0 HD1 PHE X 37 87.803 -2.403 -5.856 1.00 1.00 H new ATOM 0 HD2 PHE X 37 88.671 -1.384 -1.773 1.00 1.00 H new ATOM 0 HE1 PHE X 37 89.781 -1.105 -6.600 1.00 1.00 H new ATOM 0 HE2 PHE X 37 90.651 -0.089 -2.517 1.00 1.00 H new ATOM 0 HZ PHE X 37 91.205 0.052 -4.930 1.00 1.00 H new ATOM 636 N VAL X 38 88.392 -4.925 -1.687 1.00 1.00 N ATOM 637 CA VAL X 38 89.620 -5.400 -0.990 1.00 1.00 C ATOM 638 C VAL X 38 90.018 -6.775 -1.535 1.00 1.00 C ATOM 639 O VAL X 38 91.164 -7.017 -1.857 1.00 1.00 O ATOM 640 CB VAL X 38 89.346 -5.507 0.510 1.00 1.00 C ATOM 641 CG1 VAL X 38 90.583 -6.063 1.217 1.00 1.00 C ATOM 642 CG2 VAL X 38 89.022 -4.119 1.068 1.00 1.00 C ATOM 0 H VAL X 38 87.583 -4.773 -1.085 1.00 1.00 H new ATOM 0 HA VAL X 38 90.431 -4.692 -1.162 1.00 1.00 H new ATOM 0 HB VAL X 38 88.501 -6.175 0.678 1.00 1.00 H new ATOM 0 HG11 VAL X 38 90.387 -6.139 2.287 1.00 1.00 H new ATOM 0 HG12 VAL X 38 90.816 -7.051 0.819 1.00 1.00 H new ATOM 0 HG13 VAL X 38 91.428 -5.396 1.049 1.00 1.00 H new ATOM 0 HG21 VAL X 38 88.826 -4.193 2.138 1.00 1.00 H new ATOM 0 HG22 VAL X 38 89.868 -3.453 0.899 1.00 1.00 H new ATOM 0 HG23 VAL X 38 88.141 -3.721 0.565 1.00 1.00 H new ATOM 652 N LYS X 39 89.080 -7.677 -1.640 1.00 1.00 N ATOM 653 CA LYS X 39 89.405 -9.029 -2.176 1.00 1.00 C ATOM 654 C LYS X 39 89.834 -8.905 -3.639 1.00 1.00 C ATOM 655 O LYS X 39 90.670 -9.646 -4.117 1.00 1.00 O ATOM 656 CB LYS X 39 88.169 -9.926 -2.081 1.00 1.00 C ATOM 657 CG LYS X 39 87.817 -10.156 -0.609 1.00 1.00 C ATOM 658 CD LYS X 39 86.588 -11.062 -0.514 1.00 1.00 C ATOM 659 CE LYS X 39 86.226 -11.279 0.957 1.00 1.00 C ATOM 660 NZ LYS X 39 84.960 -12.061 1.046 1.00 1.00 N ATOM 0 H LYS X 39 88.104 -7.536 -1.378 1.00 1.00 H new ATOM 0 HA LYS X 39 90.216 -9.467 -1.594 1.00 1.00 H new ATOM 0 HB2 LYS X 39 87.329 -9.462 -2.599 1.00 1.00 H new ATOM 0 HB3 LYS X 39 88.360 -10.879 -2.574 1.00 1.00 H new ATOM 0 HG2 LYS X 39 88.660 -10.613 -0.090 1.00 1.00 H new ATOM 0 HG3 LYS X 39 87.618 -9.203 -0.118 1.00 1.00 H new ATOM 0 HD2 LYS X 39 85.749 -10.611 -1.043 1.00 1.00 H new ATOM 0 HD3 LYS X 39 86.791 -12.019 -0.995 1.00 1.00 H new ATOM 0 HE2 LYS X 39 87.030 -11.810 1.466 1.00 1.00 H new ATOM 0 HE3 LYS X 39 86.109 -10.319 1.460 1.00 1.00 H new ATOM 0 HZ1 LYS X 39 84.713 -12.209 2.045 1.00 1.00 H new ATOM 0 HZ2 LYS X 39 84.195 -11.538 0.574 1.00 1.00 H new ATOM 0 HZ3 LYS X 39 85.088 -12.982 0.581 1.00 1.00 H new ATOM 674 N ASP X 40 89.267 -7.973 -4.353 1.00 1.00 N ATOM 675 CA ASP X 40 89.643 -7.794 -5.784 1.00 1.00 C ATOM 676 C ASP X 40 91.067 -7.240 -5.878 1.00 1.00 C ATOM 677 O ASP X 40 91.716 -7.343 -6.900 1.00 1.00 O ATOM 678 CB ASP X 40 88.671 -6.815 -6.446 1.00 1.00 C ATOM 679 CG ASP X 40 87.285 -7.456 -6.539 1.00 1.00 C ATOM 680 OD1 ASP X 40 87.218 -8.674 -6.567 1.00 1.00 O ATOM 681 OD2 ASP X 40 86.315 -6.717 -6.580 1.00 1.00 O ATOM 0 H ASP X 40 88.558 -7.326 -4.007 1.00 1.00 H new ATOM 0 HA ASP X 40 89.596 -8.757 -6.293 1.00 1.00 H new ATOM 0 HB2 ASP X 40 88.618 -5.892 -5.869 1.00 1.00 H new ATOM 0 HB3 ASP X 40 89.028 -6.549 -7.441 1.00 1.00 H new ATOM 686 N THR X 41 91.558 -6.651 -4.822 1.00 1.00 N ATOM 687 CA THR X 41 92.920 -6.049 -4.873 1.00 1.00 C ATOM 688 C THR X 41 93.929 -7.107 -5.325 1.00 1.00 C ATOM 689 O THR X 41 94.576 -6.966 -6.343 1.00 1.00 O ATOM 690 CB THR X 41 93.305 -5.538 -3.482 1.00 1.00 C ATOM 691 OG1 THR X 41 92.214 -4.821 -2.923 1.00 1.00 O ATOM 692 CG2 THR X 41 94.521 -4.617 -3.592 1.00 1.00 C ATOM 0 H THR X 41 91.076 -6.561 -3.928 1.00 1.00 H new ATOM 0 HA THR X 41 92.924 -5.218 -5.579 1.00 1.00 H new ATOM 0 HB THR X 41 93.551 -6.384 -2.840 1.00 1.00 H new ATOM 0 HG1 THR X 41 92.459 -4.495 -2.032 1.00 1.00 H new ATOM 0 HG21 THR X 41 94.794 -4.254 -2.601 1.00 1.00 H new ATOM 0 HG22 THR X 41 95.358 -5.169 -4.019 1.00 1.00 H new ATOM 0 HG23 THR X 41 94.279 -3.770 -4.234 1.00 1.00 H new ATOM 700 N CYS X 42 94.067 -8.166 -4.576 1.00 1.00 N ATOM 701 CA CYS X 42 95.077 -9.203 -4.930 1.00 1.00 C ATOM 702 C CYS X 42 94.376 -10.405 -5.564 1.00 1.00 C ATOM 703 O CYS X 42 94.603 -10.735 -6.711 1.00 1.00 O ATOM 704 CB CYS X 42 95.815 -9.649 -3.666 1.00 1.00 C ATOM 705 SG CYS X 42 97.476 -8.931 -3.651 1.00 1.00 S ATOM 0 H CYS X 42 93.524 -8.358 -3.734 1.00 1.00 H new ATOM 0 HA CYS X 42 95.792 -8.786 -5.639 1.00 1.00 H new ATOM 0 HB2 CYS X 42 95.263 -9.334 -2.780 1.00 1.00 H new ATOM 0 HB3 CYS X 42 95.877 -10.737 -3.633 1.00 1.00 H new ATOM 0 HG CYS X 42 98.102 -9.308 -2.576 1.00 1.00 H new ATOM 711 N PRO X 43 93.525 -11.053 -4.815 1.00 1.00 N ATOM 712 CA PRO X 43 92.795 -12.265 -5.283 1.00 1.00 C ATOM 713 C PRO X 43 92.307 -12.124 -6.729 1.00 1.00 C ATOM 714 O PRO X 43 92.526 -12.987 -7.555 1.00 1.00 O ATOM 715 CB PRO X 43 91.609 -12.364 -4.324 1.00 1.00 C ATOM 716 CG PRO X 43 92.064 -11.710 -3.059 1.00 1.00 C ATOM 717 CD PRO X 43 93.168 -10.696 -3.434 1.00 1.00 C ATOM 0 HA PRO X 43 93.431 -13.150 -5.281 1.00 1.00 H new ATOM 0 HB2 PRO X 43 90.731 -11.862 -4.732 1.00 1.00 H new ATOM 0 HB3 PRO X 43 91.330 -13.403 -4.150 1.00 1.00 H new ATOM 0 HG2 PRO X 43 91.232 -11.207 -2.566 1.00 1.00 H new ATOM 0 HG3 PRO X 43 92.447 -12.453 -2.359 1.00 1.00 H new ATOM 0 HD2 PRO X 43 92.807 -9.670 -3.368 1.00 1.00 H new ATOM 0 HD3 PRO X 43 94.026 -10.775 -2.767 1.00 1.00 H new ATOM 725 N TRP X 44 91.648 -11.041 -7.040 1.00 1.00 N ATOM 726 CA TRP X 44 91.160 -10.838 -8.434 1.00 1.00 C ATOM 727 C TRP X 44 91.466 -9.405 -8.879 1.00 1.00 C ATOM 728 O TRP X 44 92.456 -8.821 -8.486 1.00 1.00 O ATOM 729 CB TRP X 44 89.650 -11.075 -8.484 1.00 1.00 C ATOM 730 CG TRP X 44 89.338 -12.410 -7.886 1.00 1.00 C ATOM 731 CD1 TRP X 44 89.729 -13.601 -8.397 1.00 1.00 C ATOM 732 CD2 TRP X 44 88.580 -12.711 -6.681 1.00 1.00 C ATOM 733 NE1 TRP X 44 89.258 -14.612 -7.581 1.00 1.00 N ATOM 734 CE2 TRP X 44 88.544 -14.114 -6.508 1.00 1.00 C ATOM 735 CE3 TRP X 44 87.925 -11.909 -5.727 1.00 1.00 C ATOM 736 CZ2 TRP X 44 87.881 -14.702 -5.430 1.00 1.00 C ATOM 737 CZ3 TRP X 44 87.258 -12.497 -4.641 1.00 1.00 C ATOM 738 CH2 TRP X 44 87.237 -13.892 -4.492 1.00 1.00 C ATOM 0 H TRP X 44 91.426 -10.288 -6.389 1.00 1.00 H new ATOM 0 HA TRP X 44 91.661 -11.540 -9.100 1.00 1.00 H new ATOM 0 HB2 TRP X 44 89.129 -10.289 -7.938 1.00 1.00 H new ATOM 0 HB3 TRP X 44 89.298 -11.034 -9.515 1.00 1.00 H new ATOM 0 HD1 TRP X 44 90.313 -13.739 -9.295 1.00 1.00 H new ATOM 0 HE1 TRP X 44 89.418 -15.605 -7.750 1.00 1.00 H new ATOM 0 HE3 TRP X 44 87.936 -10.834 -5.832 1.00 1.00 H new ATOM 0 HZ2 TRP X 44 87.866 -15.776 -5.322 1.00 1.00 H new ATOM 0 HZ3 TRP X 44 86.758 -11.872 -3.916 1.00 1.00 H new ATOM 0 HH2 TRP X 44 86.724 -14.339 -3.653 1.00 1.00 H new ATOM 749 N PHE X 45 90.623 -8.837 -9.697 1.00 1.00 N ATOM 750 CA PHE X 45 90.856 -7.439 -10.162 1.00 1.00 C ATOM 751 C PHE X 45 89.798 -7.053 -11.200 1.00 1.00 C ATOM 752 O PHE X 45 89.244 -5.972 -11.158 1.00 1.00 O ATOM 753 CB PHE X 45 92.246 -7.336 -10.793 1.00 1.00 C ATOM 754 CG PHE X 45 93.049 -6.277 -10.077 1.00 1.00 C ATOM 755 CD1 PHE X 45 92.564 -4.966 -9.995 1.00 1.00 C ATOM 756 CD2 PHE X 45 94.279 -6.606 -9.493 1.00 1.00 C ATOM 757 CE1 PHE X 45 93.307 -3.984 -9.330 1.00 1.00 C ATOM 758 CE2 PHE X 45 95.023 -5.623 -8.828 1.00 1.00 C ATOM 759 CZ PHE X 45 94.537 -4.313 -8.746 1.00 1.00 C ATOM 0 H PHE X 45 89.781 -9.281 -10.064 1.00 1.00 H new ATOM 0 HA PHE X 45 90.789 -6.763 -9.310 1.00 1.00 H new ATOM 0 HB2 PHE X 45 92.756 -8.297 -10.732 1.00 1.00 H new ATOM 0 HB3 PHE X 45 92.159 -7.088 -11.851 1.00 1.00 H new ATOM 0 HD1 PHE X 45 91.616 -4.712 -10.445 1.00 1.00 H new ATOM 0 HD2 PHE X 45 94.653 -7.617 -9.555 1.00 1.00 H new ATOM 0 HE1 PHE X 45 92.932 -2.973 -9.267 1.00 1.00 H new ATOM 0 HE2 PHE X 45 95.972 -5.876 -8.378 1.00 1.00 H new ATOM 0 HZ PHE X 45 95.110 -3.556 -8.232 1.00 1.00 H new ATOM 769 N PRO X 46 89.525 -7.931 -12.126 1.00 1.00 N ATOM 770 CA PRO X 46 88.527 -7.679 -13.208 1.00 1.00 C ATOM 771 C PRO X 46 87.134 -7.362 -12.654 1.00 1.00 C ATOM 772 O PRO X 46 86.383 -6.604 -13.235 1.00 1.00 O ATOM 773 CB PRO X 46 88.499 -8.988 -14.007 1.00 1.00 C ATOM 774 CG PRO X 46 89.770 -9.696 -13.670 1.00 1.00 C ATOM 775 CD PRO X 46 90.137 -9.261 -12.242 1.00 1.00 C ATOM 0 HA PRO X 46 88.802 -6.812 -13.809 1.00 1.00 H new ATOM 0 HB2 PRO X 46 87.632 -9.592 -13.739 1.00 1.00 H new ATOM 0 HB3 PRO X 46 88.432 -8.792 -15.077 1.00 1.00 H new ATOM 0 HG2 PRO X 46 89.640 -10.777 -13.727 1.00 1.00 H new ATOM 0 HG3 PRO X 46 90.561 -9.433 -14.373 1.00 1.00 H new ATOM 0 HD2 PRO X 46 89.742 -9.952 -11.497 1.00 1.00 H new ATOM 0 HD3 PRO X 46 91.217 -9.221 -12.099 1.00 1.00 H new ATOM 783 N GLN X 47 86.782 -7.940 -11.539 1.00 1.00 N ATOM 784 CA GLN X 47 85.438 -7.677 -10.954 1.00 1.00 C ATOM 785 C GLN X 47 85.279 -6.179 -10.676 1.00 1.00 C ATOM 786 O GLN X 47 86.076 -5.581 -9.981 1.00 1.00 O ATOM 787 CB GLN X 47 85.290 -8.457 -9.646 1.00 1.00 C ATOM 788 CG GLN X 47 85.273 -9.957 -9.946 1.00 1.00 C ATOM 789 CD GLN X 47 85.097 -10.736 -8.642 1.00 1.00 C ATOM 790 OE1 GLN X 47 84.926 -10.153 -7.590 1.00 1.00 O ATOM 791 NE2 GLN X 47 85.131 -12.041 -8.666 1.00 1.00 N ATOM 0 H GLN X 47 87.368 -8.584 -11.007 1.00 1.00 H new ATOM 0 HA GLN X 47 84.670 -7.996 -11.658 1.00 1.00 H new ATOM 0 HB2 GLN X 47 86.114 -8.219 -8.973 1.00 1.00 H new ATOM 0 HB3 GLN X 47 84.370 -8.166 -9.139 1.00 1.00 H new ATOM 0 HG2 GLN X 47 84.461 -10.192 -10.635 1.00 1.00 H new ATOM 0 HG3 GLN X 47 86.201 -10.251 -10.435 1.00 1.00 H new ATOM 0 HE21 GLN X 47 85.275 -12.531 -9.549 1.00 1.00 H new ATOM 0 HE22 GLN X 47 85.014 -12.570 -7.802 1.00 1.00 H new ATOM 800 N GLU X 48 84.260 -5.570 -11.217 1.00 1.00 N ATOM 801 CA GLU X 48 84.053 -4.112 -10.986 1.00 1.00 C ATOM 802 C GLU X 48 82.560 -3.821 -10.817 1.00 1.00 C ATOM 803 O GLU X 48 81.717 -4.613 -11.189 1.00 1.00 O ATOM 804 CB GLU X 48 84.594 -3.323 -12.180 1.00 1.00 C ATOM 805 CG GLU X 48 86.123 -3.362 -12.169 1.00 1.00 C ATOM 806 CD GLU X 48 86.661 -2.629 -13.399 1.00 1.00 C ATOM 807 OE1 GLU X 48 85.855 -2.189 -14.202 1.00 1.00 O ATOM 808 OE2 GLU X 48 87.871 -2.521 -13.517 1.00 1.00 O ATOM 0 H GLU X 48 83.561 -6.019 -11.809 1.00 1.00 H new ATOM 0 HA GLU X 48 84.583 -3.813 -10.081 1.00 1.00 H new ATOM 0 HB2 GLU X 48 84.216 -3.747 -13.110 1.00 1.00 H new ATOM 0 HB3 GLU X 48 84.246 -2.291 -12.135 1.00 1.00 H new ATOM 0 HG2 GLU X 48 86.503 -2.896 -11.260 1.00 1.00 H new ATOM 0 HG3 GLU X 48 86.471 -4.395 -12.167 1.00 1.00 H new ATOM 815 N GLY X 49 82.226 -2.691 -10.253 1.00 1.00 N ATOM 816 CA GLY X 49 80.789 -2.350 -10.061 1.00 1.00 C ATOM 817 C GLY X 49 80.654 -0.878 -9.664 1.00 1.00 C ATOM 818 O GLY X 49 81.626 -0.218 -9.357 1.00 1.00 O ATOM 0 H GLY X 49 82.887 -1.990 -9.917 1.00 1.00 H new ATOM 0 HA2 GLY X 49 80.235 -2.541 -10.980 1.00 1.00 H new ATOM 0 HA3 GLY X 49 80.355 -2.986 -9.289 1.00 1.00 H new ATOM 822 N THR X 50 79.458 -0.356 -9.667 1.00 1.00 N ATOM 823 CA THR X 50 79.271 1.072 -9.288 1.00 1.00 C ATOM 824 C THR X 50 79.671 1.264 -7.824 1.00 1.00 C ATOM 825 O THR X 50 79.364 0.452 -6.975 1.00 1.00 O ATOM 826 CB THR X 50 77.803 1.464 -9.473 1.00 1.00 C ATOM 827 OG1 THR X 50 77.392 1.146 -10.795 1.00 1.00 O ATOM 828 CG2 THR X 50 77.638 2.965 -9.232 1.00 1.00 C ATOM 0 H THR X 50 78.604 -0.856 -9.915 1.00 1.00 H new ATOM 0 HA THR X 50 79.895 1.702 -9.922 1.00 1.00 H new ATOM 0 HB THR X 50 77.188 0.915 -8.759 1.00 1.00 H new ATOM 0 HG1 THR X 50 76.452 1.395 -10.914 1.00 1.00 H new ATOM 0 HG21 THR X 50 76.592 3.242 -9.364 1.00 1.00 H new ATOM 0 HG22 THR X 50 77.952 3.207 -8.217 1.00 1.00 H new ATOM 0 HG23 THR X 50 78.252 3.517 -9.943 1.00 1.00 H new ATOM 836 N ILE X 51 80.354 2.335 -7.521 1.00 1.00 N ATOM 837 CA ILE X 51 80.769 2.580 -6.111 1.00 1.00 C ATOM 838 C ILE X 51 80.297 3.969 -5.674 1.00 1.00 C ATOM 839 O ILE X 51 80.425 4.936 -6.399 1.00 1.00 O ATOM 840 CB ILE X 51 82.293 2.502 -6.011 1.00 1.00 C ATOM 841 CG1 ILE X 51 82.685 1.914 -4.653 1.00 1.00 C ATOM 842 CG2 ILE X 51 82.887 3.905 -6.147 1.00 1.00 C ATOM 843 CD1 ILE X 51 82.027 2.724 -3.536 1.00 1.00 C ATOM 0 H ILE X 51 80.642 3.050 -8.189 1.00 1.00 H new ATOM 0 HA ILE X 51 80.323 1.826 -5.462 1.00 1.00 H new ATOM 0 HB ILE X 51 82.676 1.866 -6.809 1.00 1.00 H new ATOM 0 HG12 ILE X 51 82.373 0.871 -4.593 1.00 1.00 H new ATOM 0 HG13 ILE X 51 83.769 1.929 -4.538 1.00 1.00 H new ATOM 0 HG21 ILE X 51 83.973 3.849 -6.076 1.00 1.00 H new ATOM 0 HG22 ILE X 51 82.608 4.326 -7.113 1.00 1.00 H new ATOM 0 HG23 ILE X 51 82.503 4.541 -5.349 1.00 1.00 H new ATOM 0 HD11 ILE X 51 82.306 2.305 -2.569 1.00 1.00 H new ATOM 0 HD12 ILE X 51 82.361 3.760 -3.593 1.00 1.00 H new ATOM 0 HD13 ILE X 51 80.943 2.686 -3.648 1.00 1.00 H new ATOM 855 N ASP X 52 79.753 4.074 -4.492 1.00 1.00 N ATOM 856 CA ASP X 52 79.268 5.397 -4.007 1.00 1.00 C ATOM 857 C ASP X 52 80.462 6.298 -3.680 1.00 1.00 C ATOM 858 O ASP X 52 81.425 5.871 -3.075 1.00 1.00 O ATOM 859 CB ASP X 52 78.421 5.199 -2.748 1.00 1.00 C ATOM 860 CG ASP X 52 77.032 4.695 -3.141 1.00 1.00 C ATOM 861 OD1 ASP X 52 76.740 4.679 -4.326 1.00 1.00 O ATOM 862 OD2 ASP X 52 76.282 4.330 -2.250 1.00 1.00 O ATOM 0 H ASP X 52 79.624 3.300 -3.841 1.00 1.00 H new ATOM 0 HA ASP X 52 78.665 5.866 -4.784 1.00 1.00 H new ATOM 0 HB2 ASP X 52 78.903 4.484 -2.081 1.00 1.00 H new ATOM 0 HB3 ASP X 52 78.337 6.139 -2.202 1.00 1.00 H new ATOM 867 N ILE X 53 80.410 7.541 -4.076 1.00 1.00 N ATOM 868 CA ILE X 53 81.547 8.461 -3.792 1.00 1.00 C ATOM 869 C ILE X 53 81.605 8.752 -2.290 1.00 1.00 C ATOM 870 O ILE X 53 82.641 9.089 -1.754 1.00 1.00 O ATOM 871 CB ILE X 53 81.349 9.772 -4.557 1.00 1.00 C ATOM 872 CG1 ILE X 53 81.168 9.469 -6.047 1.00 1.00 C ATOM 873 CG2 ILE X 53 82.574 10.666 -4.366 1.00 1.00 C ATOM 874 CD1 ILE X 53 80.761 10.748 -6.781 1.00 1.00 C ATOM 0 H ILE X 53 79.630 7.958 -4.583 1.00 1.00 H new ATOM 0 HA ILE X 53 82.479 7.993 -4.109 1.00 1.00 H new ATOM 0 HB ILE X 53 80.464 10.283 -4.178 1.00 1.00 H new ATOM 0 HG12 ILE X 53 82.095 9.077 -6.465 1.00 1.00 H new ATOM 0 HG13 ILE X 53 80.407 8.701 -6.183 1.00 1.00 H new ATOM 0 HG21 ILE X 53 82.432 11.599 -4.911 1.00 1.00 H new ATOM 0 HG22 ILE X 53 82.705 10.882 -3.306 1.00 1.00 H new ATOM 0 HG23 ILE X 53 83.460 10.156 -4.745 1.00 1.00 H new ATOM 0 HD11 ILE X 53 80.632 10.533 -7.842 1.00 1.00 H new ATOM 0 HD12 ILE X 53 79.823 11.121 -6.369 1.00 1.00 H new ATOM 0 HD13 ILE X 53 81.538 11.502 -6.655 1.00 1.00 H new ATOM 886 N LYS X 54 80.499 8.623 -1.608 1.00 1.00 N ATOM 887 CA LYS X 54 80.493 8.898 -0.142 1.00 1.00 C ATOM 888 C LYS X 54 81.372 7.868 0.571 1.00 1.00 C ATOM 889 O LYS X 54 82.087 8.186 1.501 1.00 1.00 O ATOM 890 CB LYS X 54 79.062 8.805 0.389 1.00 1.00 C ATOM 891 CG LYS X 54 78.201 9.884 -0.270 1.00 1.00 C ATOM 892 CD LYS X 54 78.384 11.207 0.476 1.00 1.00 C ATOM 893 CE LYS X 54 77.448 12.261 -0.119 1.00 1.00 C ATOM 894 NZ LYS X 54 77.684 13.571 0.553 1.00 1.00 N ATOM 0 H LYS X 54 79.601 8.340 -2.001 1.00 1.00 H new ATOM 0 HA LYS X 54 80.883 9.899 0.043 1.00 1.00 H new ATOM 0 HB2 LYS X 54 78.649 7.818 0.181 1.00 1.00 H new ATOM 0 HB3 LYS X 54 79.056 8.931 1.472 1.00 1.00 H new ATOM 0 HG2 LYS X 54 78.484 10.002 -1.316 1.00 1.00 H new ATOM 0 HG3 LYS X 54 77.152 9.587 -0.255 1.00 1.00 H new ATOM 0 HD2 LYS X 54 78.170 11.072 1.536 1.00 1.00 H new ATOM 0 HD3 LYS X 54 79.419 11.540 0.400 1.00 1.00 H new ATOM 0 HE2 LYS X 54 77.622 12.354 -1.191 1.00 1.00 H new ATOM 0 HE3 LYS X 54 76.410 11.956 0.010 1.00 1.00 H new ATOM 0 HZ1 LYS X 54 77.048 14.288 0.149 1.00 1.00 H new ATOM 0 HZ2 LYS X 54 77.497 13.477 1.572 1.00 1.00 H new ATOM 0 HZ3 LYS X 54 78.672 13.863 0.408 1.00 1.00 H new ATOM 908 N PHE X 55 81.327 6.637 0.141 1.00 1.00 N ATOM 909 CA PHE X 55 82.139 5.582 0.811 1.00 1.00 C ATOM 910 C PHE X 55 83.580 5.656 0.303 1.00 1.00 C ATOM 911 O PHE X 55 84.490 5.130 0.915 1.00 1.00 O ATOM 912 CB PHE X 55 81.551 4.205 0.495 1.00 1.00 C ATOM 913 CG PHE X 55 82.020 3.204 1.525 1.00 1.00 C ATOM 914 CD1 PHE X 55 83.253 2.563 1.367 1.00 1.00 C ATOM 915 CD2 PHE X 55 81.218 2.918 2.637 1.00 1.00 C ATOM 916 CE1 PHE X 55 83.686 1.634 2.321 1.00 1.00 C ATOM 917 CE2 PHE X 55 81.652 1.990 3.591 1.00 1.00 C ATOM 918 CZ PHE X 55 82.886 1.348 3.434 1.00 1.00 C ATOM 0 H PHE X 55 80.763 6.316 -0.646 1.00 1.00 H new ATOM 0 HA PHE X 55 82.125 5.739 1.890 1.00 1.00 H new ATOM 0 HB2 PHE X 55 80.462 4.256 0.492 1.00 1.00 H new ATOM 0 HB3 PHE X 55 81.858 3.887 -0.501 1.00 1.00 H new ATOM 0 HD1 PHE X 55 83.871 2.785 0.509 1.00 1.00 H new ATOM 0 HD2 PHE X 55 80.266 3.413 2.758 1.00 1.00 H new ATOM 0 HE1 PHE X 55 84.637 1.138 2.198 1.00 1.00 H new ATOM 0 HE2 PHE X 55 81.034 1.769 4.449 1.00 1.00 H new ATOM 0 HZ PHE X 55 83.221 0.633 4.171 1.00 1.00 H new ATOM 928 N TRP X 56 83.800 6.302 -0.808 1.00 1.00 N ATOM 929 CA TRP X 56 85.186 6.392 -1.352 1.00 1.00 C ATOM 930 C TRP X 56 86.124 6.951 -0.281 1.00 1.00 C ATOM 931 O TRP X 56 87.261 6.539 -0.163 1.00 1.00 O ATOM 932 CB TRP X 56 85.195 7.317 -2.571 1.00 1.00 C ATOM 933 CG TRP X 56 86.608 7.633 -2.944 1.00 1.00 C ATOM 934 CD1 TRP X 56 87.621 6.737 -2.973 1.00 1.00 C ATOM 935 CD2 TRP X 56 87.179 8.912 -3.340 1.00 1.00 C ATOM 936 NE1 TRP X 56 88.778 7.387 -3.363 1.00 1.00 N ATOM 937 CE2 TRP X 56 88.557 8.729 -3.601 1.00 1.00 C ATOM 938 CE3 TRP X 56 86.640 10.202 -3.498 1.00 1.00 C ATOM 939 CZ2 TRP X 56 89.372 9.788 -4.004 1.00 1.00 C ATOM 940 CZ3 TRP X 56 87.458 11.270 -3.904 1.00 1.00 C ATOM 941 CH2 TRP X 56 88.821 11.062 -4.156 1.00 1.00 C ATOM 0 H TRP X 56 83.083 6.771 -1.362 1.00 1.00 H new ATOM 0 HA TRP X 56 85.525 5.398 -1.645 1.00 1.00 H new ATOM 0 HB2 TRP X 56 84.685 6.840 -3.407 1.00 1.00 H new ATOM 0 HB3 TRP X 56 84.652 8.235 -2.348 1.00 1.00 H new ATOM 0 HD1 TRP X 56 87.540 5.687 -2.732 1.00 1.00 H new ATOM 0 HE1 TRP X 56 89.685 6.930 -3.463 1.00 1.00 H new ATOM 0 HE3 TRP X 56 85.591 10.372 -3.306 1.00 1.00 H new ATOM 0 HZ2 TRP X 56 90.422 9.623 -4.197 1.00 1.00 H new ATOM 0 HZ3 TRP X 56 87.034 12.256 -4.022 1.00 1.00 H new ATOM 0 HH2 TRP X 56 89.445 11.887 -4.468 1.00 1.00 H new ATOM 952 N ARG X 57 85.660 7.885 0.502 1.00 1.00 N ATOM 953 CA ARG X 57 86.532 8.474 1.556 1.00 1.00 C ATOM 954 C ARG X 57 86.951 7.381 2.541 1.00 1.00 C ATOM 955 O ARG X 57 88.079 7.336 2.990 1.00 1.00 O ATOM 956 CB ARG X 57 85.765 9.568 2.303 1.00 1.00 C ATOM 957 CG ARG X 57 85.560 10.770 1.379 1.00 1.00 C ATOM 958 CD ARG X 57 84.104 11.232 1.458 1.00 1.00 C ATOM 959 NE ARG X 57 83.795 11.670 2.849 1.00 1.00 N ATOM 960 CZ ARG X 57 82.562 11.913 3.199 1.00 1.00 C ATOM 961 NH1 ARG X 57 81.597 11.769 2.332 1.00 1.00 N ATOM 962 NH2 ARG X 57 82.294 12.299 4.416 1.00 1.00 N ATOM 0 H ARG X 57 84.715 8.266 0.457 1.00 1.00 H new ATOM 0 HA ARG X 57 87.419 8.906 1.093 1.00 1.00 H new ATOM 0 HB2 ARG X 57 84.801 9.186 2.639 1.00 1.00 H new ATOM 0 HB3 ARG X 57 86.316 9.870 3.193 1.00 1.00 H new ATOM 0 HG2 ARG X 57 86.227 11.582 1.668 1.00 1.00 H new ATOM 0 HG3 ARG X 57 85.812 10.501 0.353 1.00 1.00 H new ATOM 0 HD2 ARG X 57 83.934 12.052 0.761 1.00 1.00 H new ATOM 0 HD3 ARG X 57 83.438 10.421 1.165 1.00 1.00 H new ATOM 0 HE ARG X 57 84.548 11.780 3.528 1.00 1.00 H new ATOM 0 HH11 ARG X 57 81.807 11.466 1.381 1.00 1.00 H new ATOM 0 HH12 ARG X 57 80.633 11.959 2.606 1.00 1.00 H new ATOM 0 HH21 ARG X 57 83.048 12.411 5.093 1.00 1.00 H new ATOM 0 HH22 ARG X 57 81.330 12.489 4.690 1.00 1.00 H new ATOM 976 N ARG X 58 86.053 6.497 2.879 1.00 1.00 N ATOM 977 CA ARG X 58 86.404 5.409 3.835 1.00 1.00 C ATOM 978 C ARG X 58 87.435 4.480 3.193 1.00 1.00 C ATOM 979 O ARG X 58 88.365 4.032 3.834 1.00 1.00 O ATOM 980 CB ARG X 58 85.145 4.613 4.184 1.00 1.00 C ATOM 981 CG ARG X 58 84.222 5.469 5.053 1.00 1.00 C ATOM 982 CD ARG X 58 82.939 4.692 5.356 1.00 1.00 C ATOM 983 NE ARG X 58 83.277 3.447 6.102 1.00 1.00 N ATOM 984 CZ ARG X 58 83.442 3.485 7.396 1.00 1.00 C ATOM 985 NH1 ARG X 58 83.311 4.615 8.037 1.00 1.00 N ATOM 986 NH2 ARG X 58 83.738 2.395 8.049 1.00 1.00 N ATOM 0 H ARG X 58 85.093 6.481 2.535 1.00 1.00 H new ATOM 0 HA ARG X 58 86.823 5.843 4.743 1.00 1.00 H new ATOM 0 HB2 ARG X 58 84.628 4.313 3.273 1.00 1.00 H new ATOM 0 HB3 ARG X 58 85.415 3.699 4.713 1.00 1.00 H new ATOM 0 HG2 ARG X 58 84.725 5.737 5.982 1.00 1.00 H new ATOM 0 HG3 ARG X 58 83.983 6.400 4.540 1.00 1.00 H new ATOM 0 HD2 ARG X 58 82.259 5.308 5.944 1.00 1.00 H new ATOM 0 HD3 ARG X 58 82.423 4.444 4.428 1.00 1.00 H new ATOM 0 HE ARG X 58 83.379 2.565 5.601 1.00 1.00 H new ATOM 0 HH11 ARG X 58 83.080 5.467 7.526 1.00 1.00 H new ATOM 0 HH12 ARG X 58 83.440 4.646 9.048 1.00 1.00 H new ATOM 0 HH21 ARG X 58 83.841 1.512 7.548 1.00 1.00 H new ATOM 0 HH22 ARG X 58 83.867 2.425 9.060 1.00 1.00 H new ATOM 1000 N VAL X 59 87.278 4.185 1.932 1.00 1.00 N ATOM 1001 CA VAL X 59 88.250 3.285 1.250 1.00 1.00 C ATOM 1002 C VAL X 59 89.640 3.921 1.285 1.00 1.00 C ATOM 1003 O VAL X 59 90.622 3.274 1.591 1.00 1.00 O ATOM 1004 CB VAL X 59 87.819 3.076 -0.203 1.00 1.00 C ATOM 1005 CG1 VAL X 59 88.915 2.323 -0.958 1.00 1.00 C ATOM 1006 CG2 VAL X 59 86.524 2.260 -0.238 1.00 1.00 C ATOM 0 H VAL X 59 86.518 4.528 1.344 1.00 1.00 H new ATOM 0 HA VAL X 59 88.277 2.323 1.761 1.00 1.00 H new ATOM 0 HB VAL X 59 87.653 4.044 -0.675 1.00 1.00 H new ATOM 0 HG11 VAL X 59 88.607 2.174 -1.993 1.00 1.00 H new ATOM 0 HG12 VAL X 59 89.838 2.903 -0.933 1.00 1.00 H new ATOM 0 HG13 VAL X 59 89.082 1.355 -0.487 1.00 1.00 H new ATOM 0 HG21 VAL X 59 86.216 2.111 -1.273 1.00 1.00 H new ATOM 0 HG22 VAL X 59 86.691 1.292 0.234 1.00 1.00 H new ATOM 0 HG23 VAL X 59 85.742 2.796 0.300 1.00 1.00 H new ATOM 1016 N GLY X 60 89.731 5.184 0.973 1.00 1.00 N ATOM 1017 CA GLY X 60 91.059 5.861 0.984 1.00 1.00 C ATOM 1018 C GLY X 60 91.646 5.815 2.396 1.00 1.00 C ATOM 1019 O GLY X 60 92.812 5.534 2.584 1.00 1.00 O ATOM 0 H GLY X 60 88.944 5.777 0.711 1.00 1.00 H new ATOM 0 HA2 GLY X 60 91.734 5.371 0.282 1.00 1.00 H new ATOM 0 HA3 GLY X 60 90.954 6.895 0.656 1.00 1.00 H new ATOM 1023 N ASP X 61 90.847 6.088 3.391 1.00 1.00 N ATOM 1024 CA ASP X 61 91.359 6.054 4.789 1.00 1.00 C ATOM 1025 C ASP X 61 91.746 4.621 5.155 1.00 1.00 C ATOM 1026 O ASP X 61 92.747 4.384 5.804 1.00 1.00 O ATOM 1027 CB ASP X 61 90.270 6.549 5.744 1.00 1.00 C ATOM 1028 CG ASP X 61 90.308 8.076 5.815 1.00 1.00 C ATOM 1029 OD1 ASP X 61 91.186 8.656 5.199 1.00 1.00 O ATOM 1030 OD2 ASP X 61 89.458 8.639 6.486 1.00 1.00 O ATOM 0 H ASP X 61 89.862 6.333 3.296 1.00 1.00 H new ATOM 0 HA ASP X 61 92.234 6.699 4.871 1.00 1.00 H new ATOM 0 HB2 ASP X 61 89.291 6.215 5.400 1.00 1.00 H new ATOM 0 HB3 ASP X 61 90.422 6.124 6.736 1.00 1.00 H new ATOM 1035 N CYS X 62 90.964 3.662 4.744 1.00 1.00 N ATOM 1036 CA CYS X 62 91.286 2.246 5.073 1.00 1.00 C ATOM 1037 C CYS X 62 92.549 1.820 4.320 1.00 1.00 C ATOM 1038 O CYS X 62 93.500 1.341 4.905 1.00 1.00 O ATOM 1039 CB CYS X 62 90.119 1.347 4.658 1.00 1.00 C ATOM 1040 SG CYS X 62 88.954 1.198 6.035 1.00 1.00 S ATOM 0 H CYS X 62 90.116 3.798 4.194 1.00 1.00 H new ATOM 0 HA CYS X 62 91.454 2.153 6.146 1.00 1.00 H new ATOM 0 HB2 CYS X 62 89.616 1.765 3.786 1.00 1.00 H new ATOM 0 HB3 CYS X 62 90.488 0.362 4.372 1.00 1.00 H new ATOM 0 HG CYS X 62 87.961 0.436 5.683 1.00 1.00 H new ATOM 1046 N PHE X 63 92.566 1.991 3.027 1.00 1.00 N ATOM 1047 CA PHE X 63 93.763 1.587 2.238 1.00 1.00 C ATOM 1048 C PHE X 63 94.978 2.391 2.706 1.00 1.00 C ATOM 1049 O PHE X 63 96.062 1.864 2.861 1.00 1.00 O ATOM 1050 CB PHE X 63 93.512 1.858 0.753 1.00 1.00 C ATOM 1051 CG PHE X 63 93.011 0.598 0.089 1.00 1.00 C ATOM 1052 CD1 PHE X 63 91.921 -0.094 0.631 1.00 1.00 C ATOM 1053 CD2 PHE X 63 93.636 0.122 -1.069 1.00 1.00 C ATOM 1054 CE1 PHE X 63 91.457 -1.262 0.015 1.00 1.00 C ATOM 1055 CE2 PHE X 63 93.172 -1.046 -1.686 1.00 1.00 C ATOM 1056 CZ PHE X 63 92.083 -1.739 -1.143 1.00 1.00 C ATOM 0 H PHE X 63 91.803 2.393 2.483 1.00 1.00 H new ATOM 0 HA PHE X 63 93.953 0.524 2.385 1.00 1.00 H new ATOM 0 HB2 PHE X 63 92.781 2.658 0.637 1.00 1.00 H new ATOM 0 HB3 PHE X 63 94.431 2.194 0.273 1.00 1.00 H new ATOM 0 HD1 PHE X 63 91.438 0.274 1.524 1.00 1.00 H new ATOM 0 HD2 PHE X 63 94.477 0.656 -1.487 1.00 1.00 H new ATOM 0 HE1 PHE X 63 90.616 -1.795 0.433 1.00 1.00 H new ATOM 0 HE2 PHE X 63 93.654 -1.412 -2.580 1.00 1.00 H new ATOM 0 HZ PHE X 63 91.726 -2.641 -1.617 1.00 1.00 H new ATOM 1066 N GLN X 64 94.806 3.666 2.931 1.00 1.00 N ATOM 1067 CA GLN X 64 95.949 4.501 3.396 1.00 1.00 C ATOM 1068 C GLN X 64 96.478 3.950 4.721 1.00 1.00 C ATOM 1069 O GLN X 64 97.667 3.953 4.976 1.00 1.00 O ATOM 1070 CB GLN X 64 95.478 5.943 3.597 1.00 1.00 C ATOM 1071 CG GLN X 64 96.644 6.796 4.099 1.00 1.00 C ATOM 1072 CD GLN X 64 96.227 8.268 4.126 1.00 1.00 C ATOM 1073 OE1 GLN X 64 95.239 8.643 3.527 1.00 1.00 O ATOM 1074 NE2 GLN X 64 96.945 9.125 4.800 1.00 1.00 N ATOM 0 H GLN X 64 93.924 4.164 2.813 1.00 1.00 H new ATOM 0 HA GLN X 64 96.743 4.477 2.649 1.00 1.00 H new ATOM 0 HB2 GLN X 64 95.096 6.346 2.659 1.00 1.00 H new ATOM 0 HB3 GLN X 64 94.657 5.972 4.314 1.00 1.00 H new ATOM 0 HG2 GLN X 64 96.941 6.473 5.097 1.00 1.00 H new ATOM 0 HG3 GLN X 64 97.510 6.664 3.450 1.00 1.00 H new ATOM 0 HE21 GLN X 64 97.775 8.811 5.303 1.00 1.00 H new ATOM 0 HE22 GLN X 64 96.676 10.109 4.823 1.00 1.00 H new ATOM 1083 N ASP X 65 95.606 3.475 5.568 1.00 1.00 N ATOM 1084 CA ASP X 65 96.064 2.924 6.875 1.00 1.00 C ATOM 1085 C ASP X 65 96.959 1.708 6.625 1.00 1.00 C ATOM 1086 O ASP X 65 98.007 1.562 7.223 1.00 1.00 O ATOM 1087 CB ASP X 65 94.850 2.505 7.704 1.00 1.00 C ATOM 1088 CG ASP X 65 94.082 3.750 8.154 1.00 1.00 C ATOM 1089 OD1 ASP X 65 94.579 4.841 7.927 1.00 1.00 O ATOM 1090 OD2 ASP X 65 93.013 3.591 8.718 1.00 1.00 O ATOM 0 H ASP X 65 94.598 3.445 5.412 1.00 1.00 H new ATOM 0 HA ASP X 65 96.626 3.685 7.417 1.00 1.00 H new ATOM 0 HB2 ASP X 65 94.200 1.858 7.115 1.00 1.00 H new ATOM 0 HB3 ASP X 65 95.171 1.929 8.572 1.00 1.00 H new ATOM 1095 N TYR X 66 96.552 0.833 5.746 1.00 1.00 N ATOM 1096 CA TYR X 66 97.379 -0.373 5.457 1.00 1.00 C ATOM 1097 C TYR X 66 98.697 0.057 4.811 1.00 1.00 C ATOM 1098 O TYR X 66 99.740 -0.503 5.079 1.00 1.00 O ATOM 1099 CB TYR X 66 96.619 -1.294 4.501 1.00 1.00 C ATOM 1100 CG TYR X 66 95.493 -1.974 5.242 1.00 1.00 C ATOM 1101 CD1 TYR X 66 95.777 -2.962 6.192 1.00 1.00 C ATOM 1102 CD2 TYR X 66 94.164 -1.615 4.981 1.00 1.00 C ATOM 1103 CE1 TYR X 66 94.733 -3.592 6.880 1.00 1.00 C ATOM 1104 CE2 TYR X 66 93.120 -2.246 5.670 1.00 1.00 C ATOM 1105 CZ TYR X 66 93.406 -3.234 6.619 1.00 1.00 C ATOM 1106 OH TYR X 66 92.377 -3.856 7.298 1.00 1.00 O ATOM 0 H TYR X 66 95.683 0.901 5.216 1.00 1.00 H new ATOM 0 HA TYR X 66 97.586 -0.904 6.386 1.00 1.00 H new ATOM 0 HB2 TYR X 66 96.222 -0.719 3.664 1.00 1.00 H new ATOM 0 HB3 TYR X 66 97.296 -2.040 4.083 1.00 1.00 H new ATOM 0 HD1 TYR X 66 96.801 -3.238 6.394 1.00 1.00 H new ATOM 0 HD2 TYR X 66 93.944 -0.852 4.249 1.00 1.00 H new ATOM 0 HE1 TYR X 66 94.952 -4.355 7.613 1.00 1.00 H new ATOM 0 HE2 TYR X 66 92.095 -1.970 5.469 1.00 1.00 H new ATOM 0 HH TYR X 66 91.519 -3.490 6.999 1.00 1.00 H new ATOM 1116 N TYR X 67 98.658 1.047 3.963 1.00 1.00 N ATOM 1117 CA TYR X 67 99.909 1.508 3.299 1.00 1.00 C ATOM 1118 C TYR X 67 100.906 1.972 4.362 1.00 1.00 C ATOM 1119 O TYR X 67 102.036 1.527 4.404 1.00 1.00 O ATOM 1120 CB TYR X 67 99.590 2.669 2.357 1.00 1.00 C ATOM 1121 CG TYR X 67 100.830 3.503 2.149 1.00 1.00 C ATOM 1122 CD1 TYR X 67 101.826 3.069 1.265 1.00 1.00 C ATOM 1123 CD2 TYR X 67 100.986 4.711 2.839 1.00 1.00 C ATOM 1124 CE1 TYR X 67 102.977 3.841 1.072 1.00 1.00 C ATOM 1125 CE2 TYR X 67 102.137 5.485 2.645 1.00 1.00 C ATOM 1126 CZ TYR X 67 103.133 5.049 1.762 1.00 1.00 C ATOM 1127 OH TYR X 67 104.267 5.812 1.572 1.00 1.00 O ATOM 0 H TYR X 67 97.814 1.557 3.701 1.00 1.00 H new ATOM 0 HA TYR X 67 100.341 0.687 2.727 1.00 1.00 H new ATOM 0 HB2 TYR X 67 99.231 2.288 1.401 1.00 1.00 H new ATOM 0 HB3 TYR X 67 98.792 3.282 2.776 1.00 1.00 H new ATOM 0 HD1 TYR X 67 101.706 2.138 0.732 1.00 1.00 H new ATOM 0 HD2 TYR X 67 100.219 5.046 3.521 1.00 1.00 H new ATOM 0 HE1 TYR X 67 103.745 3.505 0.391 1.00 1.00 H new ATOM 0 HE2 TYR X 67 102.257 6.418 3.176 1.00 1.00 H new ATOM 0 HH TYR X 67 104.215 6.619 2.126 1.00 1.00 H new ATOM 1137 N ASN X 68 100.497 2.865 5.223 1.00 1.00 N ATOM 1138 CA ASN X 68 101.426 3.364 6.275 1.00 1.00 C ATOM 1139 C ASN X 68 101.819 2.205 7.193 1.00 1.00 C ATOM 1140 O ASN X 68 102.952 2.095 7.619 1.00 1.00 O ATOM 1141 CB ASN X 68 100.732 4.453 7.095 1.00 1.00 C ATOM 1142 CG ASN X 68 100.686 5.749 6.284 1.00 1.00 C ATOM 1143 OD1 ASN X 68 101.494 5.958 5.402 1.00 1.00 O ATOM 1144 ND2 ASN X 68 99.766 6.637 6.549 1.00 1.00 N ATOM 0 H ASN X 68 99.561 3.269 5.243 1.00 1.00 H new ATOM 0 HA ASN X 68 102.319 3.778 5.807 1.00 1.00 H new ATOM 0 HB2 ASN X 68 99.722 4.139 7.356 1.00 1.00 H new ATOM 0 HB3 ASN X 68 101.267 4.615 8.031 1.00 1.00 H new ATOM 0 HD21 ASN X 68 99.727 7.505 6.015 1.00 1.00 H new ATOM 0 HD22 ASN X 68 99.087 6.462 7.290 1.00 1.00 H new ATOM 1151 N THR X 69 100.892 1.338 7.499 1.00 1.00 N ATOM 1152 CA THR X 69 101.209 0.199 8.406 1.00 1.00 C ATOM 1153 C THR X 69 102.248 -0.705 7.738 1.00 1.00 C ATOM 1154 O THR X 69 103.251 -1.054 8.328 1.00 1.00 O ATOM 1155 CB THR X 69 99.935 -0.604 8.683 1.00 1.00 C ATOM 1156 OG1 THR X 69 98.979 0.235 9.317 1.00 1.00 O ATOM 1157 CG2 THR X 69 100.263 -1.787 9.594 1.00 1.00 C ATOM 0 H THR X 69 99.930 1.369 7.160 1.00 1.00 H new ATOM 0 HA THR X 69 101.607 0.580 9.346 1.00 1.00 H new ATOM 0 HB THR X 69 99.527 -0.976 7.743 1.00 1.00 H new ATOM 0 HG1 THR X 69 98.605 0.859 8.660 1.00 1.00 H new ATOM 0 HG21 THR X 69 99.355 -2.358 9.790 1.00 1.00 H new ATOM 0 HG22 THR X 69 100.997 -2.429 9.107 1.00 1.00 H new ATOM 0 HG23 THR X 69 100.671 -1.419 10.535 1.00 1.00 H new ATOM 1165 N PHE X 70 102.016 -1.084 6.511 1.00 1.00 N ATOM 1166 CA PHE X 70 102.966 -2.003 5.824 1.00 1.00 C ATOM 1167 C PHE X 70 103.601 -1.279 4.636 1.00 1.00 C ATOM 1168 O PHE X 70 104.806 -1.235 4.494 1.00 1.00 O ATOM 1169 CB PHE X 70 102.212 -3.238 5.325 1.00 1.00 C ATOM 1170 CG PHE X 70 101.968 -4.179 6.481 1.00 1.00 C ATOM 1171 CD1 PHE X 70 103.037 -4.883 7.048 1.00 1.00 C ATOM 1172 CD2 PHE X 70 100.672 -4.349 6.984 1.00 1.00 C ATOM 1173 CE1 PHE X 70 102.811 -5.757 8.117 1.00 1.00 C ATOM 1174 CE2 PHE X 70 100.446 -5.223 8.054 1.00 1.00 C ATOM 1175 CZ PHE X 70 101.515 -5.926 8.621 1.00 1.00 C ATOM 0 H PHE X 70 101.210 -0.797 5.955 1.00 1.00 H new ATOM 0 HA PHE X 70 103.744 -2.311 6.522 1.00 1.00 H new ATOM 0 HB2 PHE X 70 101.264 -2.942 4.877 1.00 1.00 H new ATOM 0 HB3 PHE X 70 102.789 -3.740 4.548 1.00 1.00 H new ATOM 0 HD1 PHE X 70 104.036 -4.751 6.660 1.00 1.00 H new ATOM 0 HD2 PHE X 70 99.847 -3.806 6.547 1.00 1.00 H new ATOM 0 HE1 PHE X 70 103.636 -6.301 8.553 1.00 1.00 H new ATOM 0 HE2 PHE X 70 99.447 -5.355 8.442 1.00 1.00 H new ATOM 0 HZ PHE X 70 101.341 -6.599 9.447 1.00 1.00 H new ATOM 1185 N GLY X 71 102.796 -0.708 3.781 1.00 1.00 N ATOM 1186 CA GLY X 71 103.348 -0.018 2.583 1.00 1.00 C ATOM 1187 C GLY X 71 102.519 -0.389 1.354 1.00 1.00 C ATOM 1188 O GLY X 71 101.429 -0.915 1.464 1.00 1.00 O ATOM 0 H GLY X 71 101.779 -0.690 3.862 1.00 1.00 H new ATOM 0 HA2 GLY X 71 103.333 1.062 2.733 1.00 1.00 H new ATOM 0 HA3 GLY X 71 104.389 -0.304 2.433 1.00 1.00 H new ATOM 1192 N PRO X 72 103.038 -0.115 0.189 1.00 1.00 N ATOM 1193 CA PRO X 72 102.345 -0.412 -1.096 1.00 1.00 C ATOM 1194 C PRO X 72 102.172 -1.917 -1.319 1.00 1.00 C ATOM 1195 O PRO X 72 101.340 -2.348 -2.093 1.00 1.00 O ATOM 1196 CB PRO X 72 103.259 0.188 -2.176 1.00 1.00 C ATOM 1197 CG PRO X 72 104.266 1.034 -1.460 1.00 1.00 C ATOM 1198 CD PRO X 72 104.343 0.508 -0.032 1.00 1.00 C ATOM 0 HA PRO X 72 101.338 0.006 -1.111 1.00 1.00 H new ATOM 0 HB2 PRO X 72 103.750 -0.598 -2.749 1.00 1.00 H new ATOM 0 HB3 PRO X 72 102.683 0.785 -2.883 1.00 1.00 H new ATOM 0 HG2 PRO X 72 105.239 0.974 -1.948 1.00 1.00 H new ATOM 0 HG3 PRO X 72 103.968 2.083 -1.471 1.00 1.00 H new ATOM 0 HD2 PRO X 72 105.153 -0.212 0.085 1.00 1.00 H new ATOM 0 HD3 PRO X 72 104.526 1.313 0.680 1.00 1.00 H new ATOM 1206 N GLU X 73 102.948 -2.720 -0.643 1.00 1.00 N ATOM 1207 CA GLU X 73 102.831 -4.193 -0.824 1.00 1.00 C ATOM 1208 C GLU X 73 101.388 -4.621 -0.548 1.00 1.00 C ATOM 1209 O GLU X 73 100.750 -5.252 -1.366 1.00 1.00 O ATOM 1210 CB GLU X 73 103.770 -4.906 0.151 1.00 1.00 C ATOM 1211 CG GLU X 73 105.222 -4.584 -0.209 1.00 1.00 C ATOM 1212 CD GLU X 73 106.162 -5.347 0.726 1.00 1.00 C ATOM 1213 OE1 GLU X 73 105.664 -6.033 1.602 1.00 1.00 O ATOM 1214 OE2 GLU X 73 107.363 -5.231 0.549 1.00 1.00 O ATOM 0 H GLU X 73 103.657 -2.419 0.026 1.00 1.00 H new ATOM 0 HA GLU X 73 103.104 -4.458 -1.846 1.00 1.00 H new ATOM 0 HB2 GLU X 73 103.559 -4.590 1.172 1.00 1.00 H new ATOM 0 HB3 GLU X 73 103.604 -5.983 0.110 1.00 1.00 H new ATOM 0 HG2 GLU X 73 105.420 -4.859 -1.245 1.00 1.00 H new ATOM 0 HG3 GLU X 73 105.399 -3.512 -0.124 1.00 1.00 H new ATOM 1221 N LYS X 74 100.870 -4.282 0.601 1.00 1.00 N ATOM 1222 CA LYS X 74 99.470 -4.669 0.931 1.00 1.00 C ATOM 1223 C LYS X 74 98.507 -3.942 -0.009 1.00 1.00 C ATOM 1224 O LYS X 74 97.506 -4.485 -0.431 1.00 1.00 O ATOM 1225 CB LYS X 74 99.160 -4.281 2.378 1.00 1.00 C ATOM 1226 CG LYS X 74 100.093 -5.042 3.322 1.00 1.00 C ATOM 1227 CD LYS X 74 99.798 -6.541 3.235 1.00 1.00 C ATOM 1228 CE LYS X 74 100.269 -7.229 4.517 1.00 1.00 C ATOM 1229 NZ LYS X 74 99.973 -8.688 4.434 1.00 1.00 N ATOM 0 H LYS X 74 101.356 -3.754 1.325 1.00 1.00 H new ATOM 0 HA LYS X 74 99.353 -5.746 0.811 1.00 1.00 H new ATOM 0 HB2 LYS X 74 99.286 -3.207 2.513 1.00 1.00 H new ATOM 0 HB3 LYS X 74 98.121 -4.512 2.613 1.00 1.00 H new ATOM 0 HG2 LYS X 74 101.132 -4.849 3.056 1.00 1.00 H new ATOM 0 HG3 LYS X 74 99.956 -4.693 4.345 1.00 1.00 H new ATOM 0 HD2 LYS X 74 98.730 -6.705 3.093 1.00 1.00 H new ATOM 0 HD3 LYS X 74 100.304 -6.972 2.371 1.00 1.00 H new ATOM 0 HE2 LYS X 74 101.339 -7.071 4.656 1.00 1.00 H new ATOM 0 HE3 LYS X 74 99.768 -6.794 5.382 1.00 1.00 H new ATOM 0 HZ1 LYS X 74 100.293 -9.157 5.305 1.00 1.00 H new ATOM 0 HZ2 LYS X 74 98.949 -8.829 4.321 1.00 1.00 H new ATOM 0 HZ3 LYS X 74 100.471 -9.097 3.618 1.00 1.00 H new ATOM 1243 N VAL X 75 98.804 -2.715 -0.340 1.00 1.00 N ATOM 1244 CA VAL X 75 97.907 -1.953 -1.253 1.00 1.00 C ATOM 1245 C VAL X 75 98.752 -1.096 -2.198 1.00 1.00 C ATOM 1246 O VAL X 75 98.923 0.089 -1.990 1.00 1.00 O ATOM 1247 CB VAL X 75 96.992 -1.047 -0.427 1.00 1.00 C ATOM 1248 CG1 VAL X 75 95.813 -1.864 0.107 1.00 1.00 C ATOM 1249 CG2 VAL X 75 97.779 -0.462 0.748 1.00 1.00 C ATOM 0 H VAL X 75 99.628 -2.208 -0.018 1.00 1.00 H new ATOM 0 HA VAL X 75 97.303 -2.649 -1.835 1.00 1.00 H new ATOM 0 HB VAL X 75 96.620 -0.237 -1.055 1.00 1.00 H new ATOM 0 HG11 VAL X 75 95.160 -1.219 0.696 1.00 1.00 H new ATOM 0 HG12 VAL X 75 95.252 -2.282 -0.729 1.00 1.00 H new ATOM 0 HG13 VAL X 75 96.186 -2.673 0.735 1.00 1.00 H new ATOM 0 HG21 VAL X 75 97.127 0.184 1.337 1.00 1.00 H new ATOM 0 HG22 VAL X 75 98.151 -1.272 1.376 1.00 1.00 H new ATOM 0 HG23 VAL X 75 98.620 0.119 0.369 1.00 1.00 H new ATOM 1259 N PRO X 76 99.277 -1.698 -3.230 1.00 1.00 N ATOM 1260 CA PRO X 76 100.124 -0.995 -4.231 1.00 1.00 C ATOM 1261 C PRO X 76 99.390 0.179 -4.889 1.00 1.00 C ATOM 1262 O PRO X 76 98.177 0.230 -4.913 1.00 1.00 O ATOM 1263 CB PRO X 76 100.435 -2.080 -5.260 1.00 1.00 C ATOM 1264 CG PRO X 76 100.222 -3.376 -4.547 1.00 1.00 C ATOM 1265 CD PRO X 76 99.115 -3.124 -3.557 1.00 1.00 C ATOM 0 HA PRO X 76 101.013 -0.556 -3.778 1.00 1.00 H new ATOM 0 HB2 PRO X 76 99.781 -1.997 -6.128 1.00 1.00 H new ATOM 0 HB3 PRO X 76 101.459 -1.995 -5.623 1.00 1.00 H new ATOM 0 HG2 PRO X 76 99.949 -4.166 -5.246 1.00 1.00 H new ATOM 0 HG3 PRO X 76 101.132 -3.698 -4.042 1.00 1.00 H new ATOM 0 HD2 PRO X 76 98.135 -3.330 -3.987 1.00 1.00 H new ATOM 0 HD3 PRO X 76 99.214 -3.754 -2.673 1.00 1.00 H new ATOM 1273 N VAL X 77 100.119 1.120 -5.423 1.00 1.00 N ATOM 1274 CA VAL X 77 99.464 2.283 -6.088 1.00 1.00 C ATOM 1275 C VAL X 77 98.440 1.778 -7.105 1.00 1.00 C ATOM 1276 O VAL X 77 97.703 2.545 -7.691 1.00 1.00 O ATOM 1277 CB VAL X 77 100.523 3.124 -6.805 1.00 1.00 C ATOM 1278 CG1 VAL X 77 101.581 3.581 -5.799 1.00 1.00 C ATOM 1279 CG2 VAL X 77 101.189 2.282 -7.895 1.00 1.00 C ATOM 0 H VAL X 77 101.139 1.134 -5.428 1.00 1.00 H new ATOM 0 HA VAL X 77 98.961 2.894 -5.339 1.00 1.00 H new ATOM 0 HB VAL X 77 100.049 3.996 -7.255 1.00 1.00 H new ATOM 0 HG11 VAL X 77 102.335 4.180 -6.310 1.00 1.00 H new ATOM 0 HG12 VAL X 77 101.108 4.180 -5.021 1.00 1.00 H new ATOM 0 HG13 VAL X 77 102.055 2.709 -5.348 1.00 1.00 H new ATOM 0 HG21 VAL X 77 101.943 2.880 -8.406 1.00 1.00 H new ATOM 0 HG22 VAL X 77 101.662 1.410 -7.443 1.00 1.00 H new ATOM 0 HG23 VAL X 77 100.437 1.955 -8.613 1.00 1.00 H new ATOM 1289 N THR X 78 98.390 0.492 -7.321 1.00 1.00 N ATOM 1290 CA THR X 78 97.414 -0.061 -8.303 1.00 1.00 C ATOM 1291 C THR X 78 95.992 0.259 -7.840 1.00 1.00 C ATOM 1292 O THR X 78 95.100 0.468 -8.639 1.00 1.00 O ATOM 1293 CB THR X 78 97.591 -1.578 -8.401 1.00 1.00 C ATOM 1294 OG1 THR X 78 97.400 -2.159 -7.118 1.00 1.00 O ATOM 1295 CG2 THR X 78 98.998 -1.901 -8.905 1.00 1.00 C ATOM 0 H THR X 78 98.982 -0.199 -6.861 1.00 1.00 H new ATOM 0 HA THR X 78 97.588 0.387 -9.281 1.00 1.00 H new ATOM 0 HB THR X 78 96.858 -1.984 -9.098 1.00 1.00 H new ATOM 0 HG1 THR X 78 97.511 -3.131 -7.179 1.00 1.00 H new ATOM 0 HG21 THR X 78 99.121 -2.982 -8.974 1.00 1.00 H new ATOM 0 HG22 THR X 78 99.143 -1.456 -9.889 1.00 1.00 H new ATOM 0 HG23 THR X 78 99.735 -1.496 -8.212 1.00 1.00 H new ATOM 1303 N ALA X 79 95.771 0.297 -6.554 1.00 1.00 N ATOM 1304 CA ALA X 79 94.404 0.593 -6.040 1.00 1.00 C ATOM 1305 C ALA X 79 94.006 2.013 -6.448 1.00 1.00 C ATOM 1306 O ALA X 79 92.891 2.260 -6.864 1.00 1.00 O ATOM 1307 CB ALA X 79 94.396 0.480 -4.514 1.00 1.00 C ATOM 0 H ALA X 79 96.478 0.136 -5.837 1.00 1.00 H new ATOM 0 HA ALA X 79 93.695 -0.120 -6.460 1.00 1.00 H new ATOM 0 HB1 ALA X 79 93.396 0.697 -4.138 1.00 1.00 H new ATOM 0 HB2 ALA X 79 94.682 -0.531 -4.222 1.00 1.00 H new ATOM 0 HB3 ALA X 79 95.104 1.193 -4.093 1.00 1.00 H new ATOM 1313 N PHE X 80 94.907 2.948 -6.330 1.00 1.00 N ATOM 1314 CA PHE X 80 94.577 4.353 -6.701 1.00 1.00 C ATOM 1315 C PHE X 80 94.227 4.417 -8.189 1.00 1.00 C ATOM 1316 O PHE X 80 93.216 4.968 -8.576 1.00 1.00 O ATOM 1317 CB PHE X 80 95.784 5.251 -6.422 1.00 1.00 C ATOM 1318 CG PHE X 80 95.949 5.419 -4.931 1.00 1.00 C ATOM 1319 CD1 PHE X 80 96.527 4.396 -4.171 1.00 1.00 C ATOM 1320 CD2 PHE X 80 95.526 6.600 -4.309 1.00 1.00 C ATOM 1321 CE1 PHE X 80 96.681 4.553 -2.788 1.00 1.00 C ATOM 1322 CE2 PHE X 80 95.680 6.757 -2.927 1.00 1.00 C ATOM 1323 CZ PHE X 80 96.257 5.734 -2.166 1.00 1.00 C ATOM 0 H PHE X 80 95.858 2.800 -5.993 1.00 1.00 H new ATOM 0 HA PHE X 80 93.726 4.695 -6.112 1.00 1.00 H new ATOM 0 HB2 PHE X 80 96.685 4.812 -6.852 1.00 1.00 H new ATOM 0 HB3 PHE X 80 95.645 6.223 -6.896 1.00 1.00 H new ATOM 0 HD1 PHE X 80 96.854 3.486 -4.651 1.00 1.00 H new ATOM 0 HD2 PHE X 80 95.081 7.390 -4.896 1.00 1.00 H new ATOM 0 HE1 PHE X 80 97.127 3.763 -2.201 1.00 1.00 H new ATOM 0 HE2 PHE X 80 95.353 7.668 -2.448 1.00 1.00 H new ATOM 0 HZ PHE X 80 96.375 5.855 -1.099 1.00 1.00 H new ATOM 1333 N SER X 81 95.057 3.857 -9.027 1.00 1.00 N ATOM 1334 CA SER X 81 94.776 3.890 -10.489 1.00 1.00 C ATOM 1335 C SER X 81 93.441 3.195 -10.767 1.00 1.00 C ATOM 1336 O SER X 81 92.627 3.674 -11.531 1.00 1.00 O ATOM 1337 CB SER X 81 95.895 3.166 -11.240 1.00 1.00 C ATOM 1338 OG SER X 81 97.101 3.909 -11.114 1.00 1.00 O ATOM 0 H SER X 81 95.918 3.378 -8.761 1.00 1.00 H new ATOM 0 HA SER X 81 94.724 4.925 -10.826 1.00 1.00 H new ATOM 0 HB2 SER X 81 96.029 2.162 -10.837 1.00 1.00 H new ATOM 0 HB3 SER X 81 95.631 3.055 -12.292 1.00 1.00 H new ATOM 0 HG SER X 81 97.821 3.447 -11.592 1.00 1.00 H new ATOM 1344 N TYR X 82 93.208 2.069 -10.148 1.00 1.00 N ATOM 1345 CA TYR X 82 91.924 1.348 -10.373 1.00 1.00 C ATOM 1346 C TYR X 82 90.757 2.232 -9.927 1.00 1.00 C ATOM 1347 O TYR X 82 89.749 2.331 -10.598 1.00 1.00 O ATOM 1348 CB TYR X 82 91.921 0.047 -9.565 1.00 1.00 C ATOM 1349 CG TYR X 82 91.253 -1.046 -10.364 1.00 1.00 C ATOM 1350 CD1 TYR X 82 91.796 -1.452 -11.590 1.00 1.00 C ATOM 1351 CD2 TYR X 82 90.088 -1.654 -9.880 1.00 1.00 C ATOM 1352 CE1 TYR X 82 91.174 -2.464 -12.331 1.00 1.00 C ATOM 1353 CE2 TYR X 82 89.468 -2.667 -10.619 1.00 1.00 C ATOM 1354 CZ TYR X 82 90.010 -3.072 -11.844 1.00 1.00 C ATOM 1355 OH TYR X 82 89.397 -4.071 -12.574 1.00 1.00 O ATOM 0 H TYR X 82 93.851 1.618 -9.497 1.00 1.00 H new ATOM 0 HA TYR X 82 91.818 1.116 -11.433 1.00 1.00 H new ATOM 0 HB2 TYR X 82 92.943 -0.242 -9.319 1.00 1.00 H new ATOM 0 HB3 TYR X 82 91.395 0.195 -8.622 1.00 1.00 H new ATOM 0 HD1 TYR X 82 92.695 -0.984 -11.964 1.00 1.00 H new ATOM 0 HD2 TYR X 82 89.668 -1.341 -8.936 1.00 1.00 H new ATOM 0 HE1 TYR X 82 91.591 -2.776 -13.277 1.00 1.00 H new ATOM 0 HE2 TYR X 82 88.571 -3.137 -10.244 1.00 1.00 H new ATOM 0 HH TYR X 82 89.315 -4.876 -12.022 1.00 1.00 H new ATOM 1365 N TRP X 83 90.885 2.877 -8.801 1.00 1.00 N ATOM 1366 CA TRP X 83 89.780 3.749 -8.313 1.00 1.00 C ATOM 1367 C TRP X 83 89.607 4.931 -9.268 1.00 1.00 C ATOM 1368 O TRP X 83 88.509 5.386 -9.518 1.00 1.00 O ATOM 1369 CB TRP X 83 90.120 4.270 -6.915 1.00 1.00 C ATOM 1370 CG TRP X 83 88.857 4.511 -6.152 1.00 1.00 C ATOM 1371 CD1 TRP X 83 88.196 5.691 -6.096 1.00 1.00 C ATOM 1372 CD2 TRP X 83 88.091 3.574 -5.341 1.00 1.00 C ATOM 1373 NE1 TRP X 83 87.074 5.537 -5.301 1.00 1.00 N ATOM 1374 CE2 TRP X 83 86.966 4.250 -4.813 1.00 1.00 C ATOM 1375 CE3 TRP X 83 88.262 2.217 -5.014 1.00 1.00 C ATOM 1376 CZ2 TRP X 83 86.043 3.604 -3.991 1.00 1.00 C ATOM 1377 CZ3 TRP X 83 87.334 1.563 -4.187 1.00 1.00 C ATOM 1378 CH2 TRP X 83 86.227 2.254 -3.677 1.00 1.00 C ATOM 0 H TRP X 83 91.707 2.838 -8.198 1.00 1.00 H new ATOM 0 HA TRP X 83 88.855 3.175 -8.271 1.00 1.00 H new ATOM 0 HB2 TRP X 83 90.744 3.548 -6.388 1.00 1.00 H new ATOM 0 HB3 TRP X 83 90.694 5.193 -6.989 1.00 1.00 H new ATOM 0 HD1 TRP X 83 88.495 6.603 -6.591 1.00 1.00 H new ATOM 0 HE1 TRP X 83 86.408 6.283 -5.100 1.00 1.00 H new ATOM 0 HE3 TRP X 83 89.112 1.675 -5.401 1.00 1.00 H new ATOM 0 HZ2 TRP X 83 85.192 4.142 -3.600 1.00 1.00 H new ATOM 0 HZ3 TRP X 83 87.475 0.520 -3.943 1.00 1.00 H new ATOM 0 HH2 TRP X 83 85.517 1.745 -3.042 1.00 1.00 H new ATOM 1389 N ASN X 84 90.685 5.429 -9.808 1.00 1.00 N ATOM 1390 CA ASN X 84 90.584 6.580 -10.749 1.00 1.00 C ATOM 1391 C ASN X 84 89.654 6.207 -11.905 1.00 1.00 C ATOM 1392 O ASN X 84 88.829 6.990 -12.331 1.00 1.00 O ATOM 1393 CB ASN X 84 91.973 6.919 -11.295 1.00 1.00 C ATOM 1394 CG ASN X 84 92.755 7.714 -10.249 1.00 1.00 C ATOM 1395 OD1 ASN X 84 92.180 8.250 -9.322 1.00 1.00 O ATOM 1396 ND2 ASN X 84 94.051 7.815 -10.358 1.00 1.00 N ATOM 0 H ASN X 84 91.631 5.089 -9.638 1.00 1.00 H new ATOM 0 HA ASN X 84 90.183 7.447 -10.224 1.00 1.00 H new ATOM 0 HB2 ASN X 84 92.509 6.004 -11.547 1.00 1.00 H new ATOM 0 HB3 ASN X 84 91.882 7.498 -12.214 1.00 1.00 H new ATOM 0 HD21 ASN X 84 94.581 8.344 -9.665 1.00 1.00 H new ATOM 0 HD22 ASN X 84 94.534 7.365 -11.136 1.00 1.00 H new ATOM 1403 N LEU X 85 89.783 5.013 -12.416 1.00 1.00 N ATOM 1404 CA LEU X 85 88.893 4.575 -13.528 1.00 1.00 C ATOM 1405 C LEU X 85 87.445 4.526 -13.037 1.00 1.00 C ATOM 1406 O LEU X 85 86.534 4.947 -13.721 1.00 1.00 O ATOM 1407 CB LEU X 85 89.319 3.185 -14.005 1.00 1.00 C ATOM 1408 CG LEU X 85 90.682 3.276 -14.692 1.00 1.00 C ATOM 1409 CD1 LEU X 85 91.177 1.869 -15.034 1.00 1.00 C ATOM 1410 CD2 LEU X 85 90.549 4.095 -15.977 1.00 1.00 C ATOM 0 H LEU X 85 90.467 4.321 -12.111 1.00 1.00 H new ATOM 0 HA LEU X 85 88.970 5.282 -14.354 1.00 1.00 H new ATOM 0 HB2 LEU X 85 89.371 2.499 -13.159 1.00 1.00 H new ATOM 0 HB3 LEU X 85 88.578 2.783 -14.696 1.00 1.00 H new ATOM 0 HG LEU X 85 91.395 3.759 -14.023 1.00 1.00 H new ATOM 0 HD11 LEU X 85 92.149 1.934 -15.524 1.00 1.00 H new ATOM 0 HD12 LEU X 85 91.270 1.284 -14.119 1.00 1.00 H new ATOM 0 HD13 LEU X 85 90.465 1.385 -15.703 1.00 1.00 H new ATOM 0 HD21 LEU X 85 91.520 4.161 -16.468 1.00 1.00 H new ATOM 0 HD22 LEU X 85 89.836 3.611 -16.645 1.00 1.00 H new ATOM 0 HD23 LEU X 85 90.196 5.097 -15.735 1.00 1.00 H new ATOM 1422 N ILE X 86 87.226 4.016 -11.856 1.00 1.00 N ATOM 1423 CA ILE X 86 85.838 3.952 -11.319 1.00 1.00 C ATOM 1424 C ILE X 86 85.283 5.370 -11.175 1.00 1.00 C ATOM 1425 O ILE X 86 84.141 5.637 -11.491 1.00 1.00 O ATOM 1426 CB ILE X 86 85.851 3.270 -9.950 1.00 1.00 C ATOM 1427 CG1 ILE X 86 85.923 1.752 -10.137 1.00 1.00 C ATOM 1428 CG2 ILE X 86 84.574 3.628 -9.189 1.00 1.00 C ATOM 1429 CD1 ILE X 86 84.510 1.192 -10.314 1.00 1.00 C ATOM 0 H ILE X 86 87.948 3.641 -11.240 1.00 1.00 H new ATOM 0 HA ILE X 86 85.210 3.382 -12.003 1.00 1.00 H new ATOM 0 HB ILE X 86 86.719 3.609 -9.384 1.00 1.00 H new ATOM 0 HG12 ILE X 86 86.533 1.511 -11.008 1.00 1.00 H new ATOM 0 HG13 ILE X 86 86.403 1.291 -9.274 1.00 1.00 H new ATOM 0 HG21 ILE X 86 84.583 3.142 -8.213 1.00 1.00 H new ATOM 0 HG22 ILE X 86 84.521 4.708 -9.056 1.00 1.00 H new ATOM 0 HG23 ILE X 86 83.706 3.289 -9.755 1.00 1.00 H new ATOM 0 HD11 ILE X 86 84.561 0.111 -10.447 1.00 1.00 H new ATOM 0 HD12 ILE X 86 83.914 1.421 -9.430 1.00 1.00 H new ATOM 0 HD13 ILE X 86 84.047 1.644 -11.191 1.00 1.00 H new ATOM 1441 N LYS X 87 86.086 6.284 -10.701 1.00 1.00 N ATOM 1442 CA LYS X 87 85.606 7.685 -10.536 1.00 1.00 C ATOM 1443 C LYS X 87 85.091 8.207 -11.879 1.00 1.00 C ATOM 1444 O LYS X 87 84.098 8.906 -11.944 1.00 1.00 O ATOM 1445 CB LYS X 87 86.762 8.565 -10.055 1.00 1.00 C ATOM 1446 CG LYS X 87 86.243 9.975 -9.767 1.00 1.00 C ATOM 1447 CD LYS X 87 87.363 10.815 -9.149 1.00 1.00 C ATOM 1448 CE LYS X 87 86.841 12.223 -8.855 1.00 1.00 C ATOM 1449 NZ LYS X 87 87.931 13.040 -8.250 1.00 1.00 N ATOM 0 H LYS X 87 87.053 6.121 -10.421 1.00 1.00 H new ATOM 0 HA LYS X 87 84.800 7.711 -9.803 1.00 1.00 H new ATOM 0 HB2 LYS X 87 87.208 8.139 -9.156 1.00 1.00 H new ATOM 0 HB3 LYS X 87 87.545 8.602 -10.812 1.00 1.00 H new ATOM 0 HG2 LYS X 87 85.891 10.440 -10.688 1.00 1.00 H new ATOM 0 HG3 LYS X 87 85.392 9.929 -9.088 1.00 1.00 H new ATOM 0 HD2 LYS X 87 87.718 10.348 -8.230 1.00 1.00 H new ATOM 0 HD3 LYS X 87 88.213 10.865 -9.830 1.00 1.00 H new ATOM 0 HE2 LYS X 87 86.488 12.691 -9.774 1.00 1.00 H new ATOM 0 HE3 LYS X 87 85.990 12.173 -8.176 1.00 1.00 H new ATOM 0 HZ1 LYS X 87 87.577 13.997 -8.050 1.00 1.00 H new ATOM 0 HZ2 LYS X 87 88.247 12.596 -7.365 1.00 1.00 H new ATOM 0 HZ3 LYS X 87 88.730 13.098 -8.913 1.00 1.00 H new ATOM 1463 N GLU X 88 85.756 7.876 -12.952 1.00 1.00 N ATOM 1464 CA GLU X 88 85.302 8.355 -14.288 1.00 1.00 C ATOM 1465 C GLU X 88 84.014 7.627 -14.678 1.00 1.00 C ATOM 1466 O GLU X 88 83.121 8.198 -15.271 1.00 1.00 O ATOM 1467 CB GLU X 88 86.386 8.071 -15.330 1.00 1.00 C ATOM 1468 CG GLU X 88 87.623 8.918 -15.025 1.00 1.00 C ATOM 1469 CD GLU X 88 88.717 8.611 -16.051 1.00 1.00 C ATOM 1470 OE1 GLU X 88 88.425 7.912 -17.007 1.00 1.00 O ATOM 1471 OE2 GLU X 88 89.827 9.081 -15.861 1.00 1.00 O ATOM 0 H GLU X 88 86.594 7.295 -12.961 1.00 1.00 H new ATOM 0 HA GLU X 88 85.115 9.428 -14.245 1.00 1.00 H new ATOM 0 HB2 GLU X 88 86.646 7.012 -15.320 1.00 1.00 H new ATOM 0 HB3 GLU X 88 86.014 8.299 -16.329 1.00 1.00 H new ATOM 0 HG2 GLU X 88 87.368 9.977 -15.055 1.00 1.00 H new ATOM 0 HG3 GLU X 88 87.983 8.705 -14.019 1.00 1.00 H new ATOM 1478 N LEU X 89 83.912 6.367 -14.349 1.00 1.00 N ATOM 1479 CA LEU X 89 82.695 5.596 -14.725 1.00 1.00 C ATOM 1480 C LEU X 89 81.482 6.174 -13.996 1.00 1.00 C ATOM 1481 O LEU X 89 80.439 6.391 -14.581 1.00 1.00 O ATOM 1482 CB LEU X 89 82.877 4.129 -14.328 1.00 1.00 C ATOM 1483 CG LEU X 89 83.424 3.341 -15.519 1.00 1.00 C ATOM 1484 CD1 LEU X 89 84.862 3.778 -15.807 1.00 1.00 C ATOM 1485 CD2 LEU X 89 83.403 1.845 -15.194 1.00 1.00 C ATOM 0 H LEU X 89 84.619 5.840 -13.836 1.00 1.00 H new ATOM 0 HA LEU X 89 82.540 5.664 -15.802 1.00 1.00 H new ATOM 0 HB2 LEU X 89 83.561 4.052 -13.483 1.00 1.00 H new ATOM 0 HB3 LEU X 89 81.925 3.708 -14.006 1.00 1.00 H new ATOM 0 HG LEU X 89 82.804 3.533 -16.395 1.00 1.00 H new ATOM 0 HD11 LEU X 89 85.250 3.215 -16.656 1.00 1.00 H new ATOM 0 HD12 LEU X 89 84.879 4.843 -16.039 1.00 1.00 H new ATOM 0 HD13 LEU X 89 85.482 3.587 -14.931 1.00 1.00 H new ATOM 0 HD21 LEU X 89 83.793 1.283 -16.043 1.00 1.00 H new ATOM 0 HD22 LEU X 89 84.022 1.654 -14.317 1.00 1.00 H new ATOM 0 HD23 LEU X 89 82.379 1.531 -14.990 1.00 1.00 H new ATOM 1497 N ILE X 90 81.609 6.427 -12.723 1.00 1.00 N ATOM 1498 CA ILE X 90 80.458 6.976 -11.953 1.00 1.00 C ATOM 1499 C ILE X 90 80.268 8.453 -12.305 1.00 1.00 C ATOM 1500 O ILE X 90 79.160 8.934 -12.436 1.00 1.00 O ATOM 1501 CB ILE X 90 80.734 6.839 -10.455 1.00 1.00 C ATOM 1502 CG1 ILE X 90 81.976 7.655 -10.089 1.00 1.00 C ATOM 1503 CG2 ILE X 90 80.974 5.368 -10.112 1.00 1.00 C ATOM 1504 CD1 ILE X 90 82.423 7.296 -8.671 1.00 1.00 C ATOM 0 H ILE X 90 82.461 6.277 -12.182 1.00 1.00 H new ATOM 0 HA ILE X 90 79.554 6.423 -12.207 1.00 1.00 H new ATOM 0 HB ILE X 90 79.876 7.208 -9.893 1.00 1.00 H new ATOM 0 HG12 ILE X 90 82.779 7.452 -10.797 1.00 1.00 H new ATOM 0 HG13 ILE X 90 81.756 8.721 -10.154 1.00 1.00 H new ATOM 0 HG21 ILE X 90 81.171 5.271 -9.044 1.00 1.00 H new ATOM 0 HG22 ILE X 90 80.091 4.785 -10.373 1.00 1.00 H new ATOM 0 HG23 ILE X 90 81.832 4.999 -10.674 1.00 1.00 H new ATOM 0 HD11 ILE X 90 83.308 7.877 -8.410 1.00 1.00 H new ATOM 0 HD12 ILE X 90 81.621 7.521 -7.969 1.00 1.00 H new ATOM 0 HD13 ILE X 90 82.660 6.233 -8.622 1.00 1.00 H new ATOM 1516 N ASP X 91 81.343 9.178 -12.458 1.00 1.00 N ATOM 1517 CA ASP X 91 81.224 10.627 -12.784 1.00 1.00 C ATOM 1518 C ASP X 91 80.501 10.792 -14.122 1.00 1.00 C ATOM 1519 O ASP X 91 79.571 11.565 -14.247 1.00 1.00 O ATOM 1520 CB ASP X 91 82.621 11.245 -12.878 1.00 1.00 C ATOM 1521 CG ASP X 91 83.122 11.594 -11.476 1.00 1.00 C ATOM 1522 OD1 ASP X 91 82.345 11.473 -10.543 1.00 1.00 O ATOM 1523 OD2 ASP X 91 84.274 11.977 -11.358 1.00 1.00 O ATOM 0 H ASP X 91 82.298 8.829 -12.371 1.00 1.00 H new ATOM 0 HA ASP X 91 80.656 11.130 -12.001 1.00 1.00 H new ATOM 0 HB2 ASP X 91 83.307 10.547 -13.357 1.00 1.00 H new ATOM 0 HB3 ASP X 91 82.593 12.141 -13.499 1.00 1.00 H new ATOM 1528 N LYS X 92 80.920 10.071 -15.126 1.00 1.00 N ATOM 1529 CA LYS X 92 80.251 10.180 -16.454 1.00 1.00 C ATOM 1530 C LYS X 92 78.824 9.636 -16.356 1.00 1.00 C ATOM 1531 O LYS X 92 77.888 10.231 -16.850 1.00 1.00 O ATOM 1532 CB LYS X 92 81.037 9.370 -17.487 1.00 1.00 C ATOM 1533 CG LYS X 92 82.400 10.023 -17.722 1.00 1.00 C ATOM 1534 CD LYS X 92 83.195 9.199 -18.736 1.00 1.00 C ATOM 1535 CE LYS X 92 84.556 9.855 -18.973 1.00 1.00 C ATOM 1536 NZ LYS X 92 85.318 9.067 -19.984 1.00 1.00 N ATOM 0 H LYS X 92 81.697 9.411 -15.084 1.00 1.00 H new ATOM 0 HA LYS X 92 80.218 11.226 -16.759 1.00 1.00 H new ATOM 0 HB2 LYS X 92 81.169 8.346 -17.137 1.00 1.00 H new ATOM 0 HB3 LYS X 92 80.481 9.318 -18.423 1.00 1.00 H new ATOM 0 HG2 LYS X 92 82.269 11.041 -18.089 1.00 1.00 H new ATOM 0 HG3 LYS X 92 82.949 10.091 -16.783 1.00 1.00 H new ATOM 0 HD2 LYS X 92 83.329 8.182 -18.368 1.00 1.00 H new ATOM 0 HD3 LYS X 92 82.645 9.129 -19.674 1.00 1.00 H new ATOM 0 HE2 LYS X 92 84.422 10.880 -19.320 1.00 1.00 H new ATOM 0 HE3 LYS X 92 85.115 9.905 -18.039 1.00 1.00 H new ATOM 0 HZ1 LYS X 92 86.244 9.513 -20.146 1.00 1.00 H new ATOM 0 HZ2 LYS X 92 85.457 8.097 -19.635 1.00 1.00 H new ATOM 0 HZ3 LYS X 92 84.786 9.041 -20.877 1.00 1.00 H new ATOM 1550 N LYS X 93 78.652 8.507 -15.722 1.00 1.00 N ATOM 1551 CA LYS X 93 77.287 7.923 -15.598 1.00 1.00 C ATOM 1552 C LYS X 93 76.492 8.700 -14.547 1.00 1.00 C ATOM 1553 O LYS X 93 76.932 8.878 -13.428 1.00 1.00 O ATOM 1554 CB LYS X 93 77.395 6.456 -15.175 1.00 1.00 C ATOM 1555 CG LYS X 93 76.002 5.824 -15.163 1.00 1.00 C ATOM 1556 CD LYS X 93 76.120 4.341 -14.804 1.00 1.00 C ATOM 1557 CE LYS X 93 74.728 3.703 -14.811 1.00 1.00 C ATOM 1558 NZ LYS X 93 74.844 2.256 -14.474 1.00 1.00 N ATOM 0 H LYS X 93 79.398 7.965 -15.285 1.00 1.00 H new ATOM 0 HA LYS X 93 76.777 7.987 -16.559 1.00 1.00 H new ATOM 0 HB2 LYS X 93 78.045 5.915 -15.863 1.00 1.00 H new ATOM 0 HB3 LYS X 93 77.847 6.384 -14.186 1.00 1.00 H new ATOM 0 HG2 LYS X 93 75.365 6.335 -14.441 1.00 1.00 H new ATOM 0 HG3 LYS X 93 75.531 5.937 -16.139 1.00 1.00 H new ATOM 0 HD2 LYS X 93 76.768 3.833 -15.518 1.00 1.00 H new ATOM 0 HD3 LYS X 93 76.578 4.229 -13.821 1.00 1.00 H new ATOM 0 HE2 LYS X 93 74.082 4.205 -14.090 1.00 1.00 H new ATOM 0 HE3 LYS X 93 74.266 3.823 -15.791 1.00 1.00 H new ATOM 0 HZ1 LYS X 93 73.899 1.822 -14.478 1.00 1.00 H new ATOM 0 HZ2 LYS X 93 75.446 1.783 -15.178 1.00 1.00 H new ATOM 0 HZ3 LYS X 93 75.268 2.152 -13.530 1.00 1.00 H new ATOM 1572 N GLU X 94 75.323 9.164 -14.897 1.00 1.00 N ATOM 1573 CA GLU X 94 74.495 9.919 -13.913 1.00 1.00 C ATOM 1574 C GLU X 94 74.140 9.009 -12.736 1.00 1.00 C ATOM 1575 O GLU X 94 73.709 7.887 -12.915 1.00 1.00 O ATOM 1576 CB GLU X 94 73.211 10.399 -14.593 1.00 1.00 C ATOM 1577 CG GLU X 94 73.550 11.469 -15.633 1.00 1.00 C ATOM 1578 CD GLU X 94 74.120 12.703 -14.929 1.00 1.00 C ATOM 1579 OE1 GLU X 94 73.873 12.850 -13.744 1.00 1.00 O ATOM 1580 OE2 GLU X 94 74.792 13.478 -15.589 1.00 1.00 O ATOM 0 H GLU X 94 74.906 9.053 -15.821 1.00 1.00 H new ATOM 0 HA GLU X 94 75.058 10.778 -13.548 1.00 1.00 H new ATOM 0 HB2 GLU X 94 72.705 9.560 -15.071 1.00 1.00 H new ATOM 0 HB3 GLU X 94 72.524 10.804 -13.850 1.00 1.00 H new ATOM 0 HG2 GLU X 94 74.273 11.079 -16.349 1.00 1.00 H new ATOM 0 HG3 GLU X 94 72.657 11.739 -16.197 1.00 1.00 H new ATOM 1587 N VAL X 95 74.318 9.482 -11.533 1.00 1.00 N ATOM 1588 CA VAL X 95 73.993 8.643 -10.346 1.00 1.00 C ATOM 1589 C VAL X 95 73.187 9.468 -9.339 1.00 1.00 C ATOM 1590 O VAL X 95 73.097 10.675 -9.444 1.00 1.00 O ATOM 1591 CB VAL X 95 75.289 8.165 -9.690 1.00 1.00 C ATOM 1592 CG1 VAL X 95 76.078 9.373 -9.178 1.00 1.00 C ATOM 1593 CG2 VAL X 95 74.954 7.241 -8.517 1.00 1.00 C ATOM 0 H VAL X 95 74.675 10.414 -11.321 1.00 1.00 H new ATOM 0 HA VAL X 95 73.405 7.782 -10.662 1.00 1.00 H new ATOM 0 HB VAL X 95 75.889 7.623 -10.421 1.00 1.00 H new ATOM 0 HG11 VAL X 95 77.002 9.033 -8.710 1.00 1.00 H new ATOM 0 HG12 VAL X 95 76.315 10.033 -10.013 1.00 1.00 H new ATOM 0 HG13 VAL X 95 75.479 9.915 -8.446 1.00 1.00 H new ATOM 0 HG21 VAL X 95 75.877 6.899 -8.048 1.00 1.00 H new ATOM 0 HG22 VAL X 95 74.355 7.784 -7.786 1.00 1.00 H new ATOM 0 HG23 VAL X 95 74.392 6.381 -8.880 1.00 1.00 H new ATOM 1603 N ASN X 96 72.599 8.827 -8.367 1.00 1.00 N ATOM 1604 CA ASN X 96 71.800 9.576 -7.356 1.00 1.00 C ATOM 1605 C ASN X 96 72.286 9.218 -5.950 1.00 1.00 C ATOM 1606 O ASN X 96 71.728 8.366 -5.288 1.00 1.00 O ATOM 1607 CB ASN X 96 70.322 9.202 -7.495 1.00 1.00 C ATOM 1608 CG ASN X 96 69.475 10.140 -6.633 1.00 1.00 C ATOM 1609 OD1 ASN X 96 69.351 9.942 -5.440 1.00 1.00 O ATOM 1610 ND2 ASN X 96 68.881 11.160 -7.190 1.00 1.00 N ATOM 0 H ASN X 96 72.637 7.817 -8.229 1.00 1.00 H new ATOM 0 HA ASN X 96 71.922 10.647 -7.520 1.00 1.00 H new ATOM 0 HB2 ASN X 96 70.015 9.273 -8.538 1.00 1.00 H new ATOM 0 HB3 ASN X 96 70.167 8.168 -7.187 1.00 1.00 H new ATOM 0 HD21 ASN X 96 68.313 11.791 -6.624 1.00 1.00 H new ATOM 0 HD22 ASN X 96 68.985 11.326 -8.191 1.00 1.00 H new ATOM 1617 N PRO X 97 73.327 9.867 -5.503 1.00 1.00 N ATOM 1618 CA PRO X 97 73.918 9.620 -4.157 1.00 1.00 C ATOM 1619 C PRO X 97 72.909 9.855 -3.028 1.00 1.00 C ATOM 1620 O PRO X 97 71.715 9.732 -3.214 1.00 1.00 O ATOM 1621 CB PRO X 97 75.059 10.633 -4.073 1.00 1.00 C ATOM 1622 CG PRO X 97 75.367 11.000 -5.488 1.00 1.00 C ATOM 1623 CD PRO X 97 74.056 10.913 -6.238 1.00 1.00 C ATOM 0 HA PRO X 97 74.243 8.586 -4.040 1.00 1.00 H new ATOM 0 HB2 PRO X 97 74.765 11.509 -3.495 1.00 1.00 H new ATOM 0 HB3 PRO X 97 75.931 10.203 -3.580 1.00 1.00 H new ATOM 0 HG2 PRO X 97 75.785 12.005 -5.548 1.00 1.00 H new ATOM 0 HG3 PRO X 97 76.106 10.322 -5.915 1.00 1.00 H new ATOM 0 HD2 PRO X 97 73.521 11.862 -6.227 1.00 1.00 H new ATOM 0 HD3 PRO X 97 74.205 10.643 -7.283 1.00 1.00 H new ATOM 1631 N GLN X 98 73.381 10.192 -1.859 1.00 1.00 N ATOM 1632 CA GLN X 98 72.449 10.436 -0.722 1.00 1.00 C ATOM 1633 C GLN X 98 71.586 11.663 -1.024 1.00 1.00 C ATOM 1634 O GLN X 98 70.404 11.687 -0.747 1.00 1.00 O ATOM 1635 CB GLN X 98 73.254 10.678 0.556 1.00 1.00 C ATOM 1636 CG GLN X 98 73.948 9.382 0.978 1.00 1.00 C ATOM 1637 CD GLN X 98 74.830 9.646 2.200 1.00 1.00 C ATOM 1638 OE1 GLN X 98 75.752 10.436 2.139 1.00 1.00 O ATOM 1639 NE2 GLN X 98 74.583 9.017 3.316 1.00 1.00 N ATOM 0 H GLN X 98 74.371 10.309 -1.642 1.00 1.00 H new ATOM 0 HA GLN X 98 71.807 9.566 -0.586 1.00 1.00 H new ATOM 0 HB2 GLN X 98 73.994 11.461 0.389 1.00 1.00 H new ATOM 0 HB3 GLN X 98 72.596 11.026 1.352 1.00 1.00 H new ATOM 0 HG2 GLN X 98 73.205 8.619 1.211 1.00 1.00 H new ATOM 0 HG3 GLN X 98 74.553 8.997 0.157 1.00 1.00 H new ATOM 0 HE21 GLN X 98 73.809 8.354 3.367 1.00 1.00 H new ATOM 0 HE22 GLN X 98 75.163 9.188 4.137 1.00 1.00 H new ATOM 1648 N VAL X 99 72.170 12.684 -1.591 1.00 1.00 N ATOM 1649 CA VAL X 99 71.381 13.904 -1.924 1.00 1.00 C ATOM 1650 C VAL X 99 71.605 14.273 -3.392 1.00 1.00 C ATOM 1651 O VAL X 99 72.723 14.329 -3.863 1.00 1.00 O ATOM 1652 CB VAL X 99 71.833 15.063 -1.032 1.00 1.00 C ATOM 1653 CG1 VAL X 99 71.236 16.371 -1.553 1.00 1.00 C ATOM 1654 CG2 VAL X 99 71.353 14.819 0.401 1.00 1.00 C ATOM 0 H VAL X 99 73.159 12.726 -1.838 1.00 1.00 H new ATOM 0 HA VAL X 99 70.322 13.708 -1.757 1.00 1.00 H new ATOM 0 HB VAL X 99 72.921 15.130 -1.046 1.00 1.00 H new ATOM 0 HG11 VAL X 99 71.558 17.196 -0.918 1.00 1.00 H new ATOM 0 HG12 VAL X 99 71.576 16.545 -2.574 1.00 1.00 H new ATOM 0 HG13 VAL X 99 70.148 16.305 -1.539 1.00 1.00 H new ATOM 0 HG21 VAL X 99 71.674 15.643 1.038 1.00 1.00 H new ATOM 0 HG22 VAL X 99 70.265 14.753 0.414 1.00 1.00 H new ATOM 0 HG23 VAL X 99 71.778 13.887 0.773 1.00 1.00 H new ATOM 1664 N MET X 100 70.550 14.524 -4.118 1.00 1.00 N ATOM 1665 CA MET X 100 70.705 14.885 -5.554 1.00 1.00 C ATOM 1666 C MET X 100 71.661 13.898 -6.228 1.00 1.00 C ATOM 1667 O MET X 100 71.271 12.756 -6.408 1.00 1.00 O ATOM 1668 CB MET X 100 71.274 16.301 -5.665 1.00 1.00 C ATOM 1669 CG MET X 100 70.238 17.308 -5.165 1.00 1.00 C ATOM 1670 SD MET X 100 70.953 18.971 -5.188 1.00 1.00 S ATOM 1671 CE MET X 100 71.154 19.106 -6.982 1.00 1.00 C ATOM 1672 OXT MET X 100 72.765 14.301 -6.554 1.00 1.00 O ATOM 0 H MET X 100 69.589 14.495 -3.778 1.00 1.00 H new ATOM 0 HA MET X 100 69.733 14.844 -6.046 1.00 1.00 H new ATOM 0 HB2 MET X 100 72.189 16.383 -5.079 1.00 1.00 H new ATOM 0 HB3 MET X 100 71.538 16.518 -6.700 1.00 1.00 H new ATOM 0 HG2 MET X 100 69.349 17.274 -5.795 1.00 1.00 H new ATOM 0 HG3 MET X 100 69.923 17.050 -4.154 1.00 1.00 H new ATOM 0 HE1 MET X 100 71.101 20.154 -7.276 1.00 1.00 H new ATOM 0 HE2 MET X 100 72.122 18.697 -7.272 1.00 1.00 H new ATOM 0 HE3 MET X 100 70.361 18.549 -7.480 1.00 1.00 H new TER 1682 MET X 100