USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 950 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 101 ASN : amide:sc= 0.377 K(o=0.83,f=-0.86) USER MOD Set 1.2: A 105 SER OG : rot 133:sc= 0.456 USER MOD Single : A 1 MET CE :methyl -175:sc= 0 (180deg=-0.0496) USER MOD Single : A 1 MET N :NH3+ -141:sc= 1.13 (180deg=-0.569) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.495 K(o=-0.49,f=-3.9!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.329 USER MOD Single : A 18 SER OG : rot 180:sc=-0.00298 USER MOD Single : A 20 HIS : no HD1:sc= -0.0624 X(o=-0.062,f=-0.062) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc=-0.00457 K(o=-0.0046,f=-2.2!) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 1.73 K(o=1.7,f=0.21) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 51 HIS : no HE2:sc= 0.537 K(o=0.54,f=-2.4!) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 58 ASN : amide:sc= -0.0377 K(o=-0.038,f=-1) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 154:sc= 1.34 (180deg=0.445) USER MOD Single : A 84 MET CE :methyl 175:sc= -0.818 (180deg=-1.02) USER MOD Single : A 87 LYS NZ :NH3+ -155:sc= 1.26 (180deg=1.21) USER MOD Single : A 90 LYS NZ :NH3+ 164:sc= 2.1 (180deg=1.52) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.00369 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot -50:sc= 0.312 USER MOD Single : A 113 TYR OH : rot 30:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -0.0059 X(o=-0.0059,f=-0.13) USER MOD Single : A 118 HIS : no HE2:sc= 0.566 K(o=0.57,f=-2.1!) USER MOD Single : A 119 HIS : no HD1:sc= 0.808 K(o=0.81,f=-3.3!) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 121 HIS : no HE2:sc= 0.452 K(o=0.45,f=-5.3!) USER MOD Single : A 123 HIS : no HD1:sc= -0.0236 X(o=-0.024,f=0) USER MOD Single : A 124 HIS : no HD1:sc= -0.167 K(o=-0.17,f=-0.83) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.241 -9.462 -4.816 1.00 0.00 N ATOM 2 CA MET A 1 -3.620 -8.375 -3.901 1.00 0.00 C ATOM 3 C MET A 1 -2.397 -7.928 -3.143 1.00 0.00 C ATOM 4 O MET A 1 -1.731 -8.746 -2.503 1.00 0.00 O ATOM 5 CB MET A 1 -4.777 -8.714 -2.964 1.00 0.00 C ATOM 6 CG MET A 1 -5.195 -7.461 -2.176 1.00 0.00 C ATOM 7 SD MET A 1 -5.953 -6.162 -3.173 1.00 0.00 S ATOM 8 CE MET A 1 -6.884 -5.291 -1.886 1.00 0.00 C ATOM 0 H1 MET A 1 -3.750 -9.351 -5.716 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.216 -9.427 -4.991 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.488 -10.377 -4.389 1.00 0.00 H new ATOM 0 HA MET A 1 -4.004 -7.557 -4.510 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.623 -9.092 -3.538 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.479 -9.505 -2.276 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.896 -7.756 -1.395 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.316 -7.052 -1.678 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.488 -4.506 -2.342 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.535 -5.995 -1.368 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.190 -4.847 -1.172 1.00 0.00 H new ATOM 18 N ILE A 2 -2.120 -6.630 -3.209 1.00 0.00 N ATOM 19 CA ILE A 2 -1.022 -5.959 -2.533 1.00 0.00 C ATOM 20 C ILE A 2 -1.580 -4.604 -2.096 1.00 0.00 C ATOM 21 O ILE A 2 -2.374 -4.008 -2.830 1.00 0.00 O ATOM 22 CB ILE A 2 0.203 -5.767 -3.463 1.00 0.00 C ATOM 23 CG1 ILE A 2 0.395 -6.904 -4.492 1.00 0.00 C ATOM 24 CG2 ILE A 2 1.490 -5.576 -2.648 1.00 0.00 C ATOM 25 CD1 ILE A 2 1.752 -6.885 -5.194 1.00 0.00 C ATOM 0 H ILE A 2 -2.685 -5.988 -3.764 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.665 -6.552 -1.691 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.009 -4.863 -4.035 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.272 -7.862 -3.987 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.392 -6.837 -5.243 1.00 0.00 H new ATOM 0 HG21 ILE A 2 2.333 -5.444 -3.326 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.392 -4.695 -2.014 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.660 -6.454 -2.025 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.808 -7.714 -5.900 1.00 0.00 H new ATOM 0 HD12 ILE A 2 1.871 -5.943 -5.730 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.546 -6.984 -4.454 1.00 0.00 H new ATOM 37 N ILE A 3 -1.177 -4.125 -0.924 1.00 0.00 N ATOM 38 CA ILE A 3 -1.713 -2.972 -0.227 1.00 0.00 C ATOM 39 C ILE A 3 -0.519 -2.117 0.200 1.00 0.00 C ATOM 40 O ILE A 3 0.222 -2.515 1.095 1.00 0.00 O ATOM 41 CB ILE A 3 -2.577 -3.428 0.971 1.00 0.00 C ATOM 42 CG1 ILE A 3 -3.704 -4.418 0.572 1.00 0.00 C ATOM 43 CG2 ILE A 3 -3.185 -2.183 1.624 1.00 0.00 C ATOM 44 CD1 ILE A 3 -3.485 -5.825 1.136 1.00 0.00 C ATOM 0 H ILE A 3 -0.417 -4.565 -0.405 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.371 -2.381 -0.865 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.931 -3.966 1.665 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.661 -4.034 0.926 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.765 -4.473 -0.515 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.800 -2.481 2.473 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.386 -1.525 1.967 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.802 -1.655 0.897 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.304 -6.473 0.825 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.543 -6.225 0.761 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.452 -5.780 2.225 1.00 0.00 H new ATOM 56 N ALA A 4 -0.270 -1.002 -0.492 1.00 0.00 N ATOM 57 CA ALA A 4 0.857 -0.113 -0.189 1.00 0.00 C ATOM 58 C ALA A 4 0.505 0.810 0.966 1.00 0.00 C ATOM 59 O ALA A 4 -0.591 1.373 0.963 1.00 0.00 O ATOM 60 CB ALA A 4 1.220 0.742 -1.408 1.00 0.00 C ATOM 0 H ALA A 4 -0.842 -0.690 -1.277 1.00 0.00 H new ATOM 0 HA ALA A 4 1.709 -0.737 0.081 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.058 1.393 -1.159 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.499 0.093 -2.238 1.00 0.00 H new ATOM 0 HB3 ALA A 4 0.362 1.349 -1.695 1.00 0.00 H new ATOM 66 N ILE A 5 1.447 1.065 1.873 1.00 0.00 N ATOM 67 CA ILE A 5 1.286 1.958 3.013 1.00 0.00 C ATOM 68 C ILE A 5 2.578 2.778 3.102 1.00 0.00 C ATOM 69 O ILE A 5 3.644 2.208 3.341 1.00 0.00 O ATOM 70 CB ILE A 5 0.961 1.181 4.309 1.00 0.00 C ATOM 71 CG1 ILE A 5 -0.371 0.413 4.158 1.00 0.00 C ATOM 72 CG2 ILE A 5 0.855 2.174 5.487 1.00 0.00 C ATOM 73 CD1 ILE A 5 -0.691 -0.554 5.295 1.00 0.00 C ATOM 0 H ILE A 5 2.373 0.640 1.830 1.00 0.00 H new ATOM 0 HA ILE A 5 0.433 2.624 2.882 1.00 0.00 H new ATOM 0 HB ILE A 5 1.758 0.463 4.501 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.183 1.136 4.077 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.347 -0.145 3.222 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.626 1.629 6.403 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.802 2.700 5.605 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.062 2.894 5.285 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.644 -1.044 5.098 1.00 0.00 H new ATOM 0 HD12 ILE A 5 0.096 -1.305 5.366 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.753 -0.004 6.234 1.00 0.00 H new ATOM 85 N PRO A 6 2.531 4.097 2.861 1.00 0.00 N ATOM 86 CA PRO A 6 3.704 4.943 2.932 1.00 0.00 C ATOM 87 C PRO A 6 4.032 5.170 4.400 1.00 0.00 C ATOM 88 O PRO A 6 3.285 5.875 5.082 1.00 0.00 O ATOM 89 CB PRO A 6 3.311 6.228 2.206 1.00 0.00 C ATOM 90 CG PRO A 6 1.798 6.324 2.374 1.00 0.00 C ATOM 91 CD PRO A 6 1.337 4.890 2.625 1.00 0.00 C ATOM 0 HA PRO A 6 4.595 4.518 2.471 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.812 7.095 2.637 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.590 6.189 1.153 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.534 6.975 3.207 1.00 0.00 H new ATOM 0 HG3 PRO A 6 1.327 6.740 1.483 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.668 4.845 3.484 1.00 0.00 H new ATOM 0 HD3 PRO A 6 0.783 4.507 1.768 1.00 0.00 H new ATOM 99 N VAL A 7 5.105 4.564 4.900 1.00 0.00 N ATOM 100 CA VAL A 7 5.507 4.699 6.293 1.00 0.00 C ATOM 101 C VAL A 7 6.642 5.704 6.420 1.00 0.00 C ATOM 102 O VAL A 7 7.352 5.989 5.450 1.00 0.00 O ATOM 103 CB VAL A 7 5.840 3.331 6.922 1.00 0.00 C ATOM 104 CG1 VAL A 7 4.570 2.494 7.030 1.00 0.00 C ATOM 105 CG2 VAL A 7 6.918 2.521 6.185 1.00 0.00 C ATOM 0 H VAL A 7 5.720 3.965 4.349 1.00 0.00 H new ATOM 0 HA VAL A 7 4.665 5.091 6.864 1.00 0.00 H new ATOM 0 HB VAL A 7 6.257 3.558 7.903 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.808 1.528 7.475 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.844 3.013 7.656 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.149 2.342 6.036 1.00 0.00 H new ATOM 0 HG21 VAL A 7 7.081 1.576 6.704 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.590 2.323 5.165 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.848 3.089 6.163 1.00 0.00 H new ATOM 115 N SER A 8 6.802 6.255 7.623 1.00 0.00 N ATOM 116 CA SER A 8 7.928 7.118 7.925 1.00 0.00 C ATOM 117 C SER A 8 9.184 6.307 8.259 1.00 0.00 C ATOM 118 O SER A 8 10.279 6.833 8.100 1.00 0.00 O ATOM 119 CB SER A 8 7.591 8.055 9.086 1.00 0.00 C ATOM 120 OG SER A 8 6.487 8.873 8.721 1.00 0.00 O ATOM 0 H SER A 8 6.160 6.114 8.403 1.00 0.00 H new ATOM 0 HA SER A 8 8.133 7.711 7.034 1.00 0.00 H new ATOM 0 HB2 SER A 8 7.351 7.476 9.978 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.453 8.675 9.331 1.00 0.00 H new ATOM 0 HG SER A 8 6.266 9.474 9.463 1.00 0.00 H new ATOM 126 N GLU A 9 9.059 5.065 8.745 1.00 0.00 N ATOM 127 CA GLU A 9 10.186 4.248 9.199 1.00 0.00 C ATOM 128 C GLU A 9 9.847 2.763 9.032 1.00 0.00 C ATOM 129 O GLU A 9 8.668 2.400 9.004 1.00 0.00 O ATOM 130 CB GLU A 9 10.494 4.534 10.680 1.00 0.00 C ATOM 131 CG GLU A 9 10.963 5.965 10.987 1.00 0.00 C ATOM 132 CD GLU A 9 12.310 6.375 10.364 1.00 0.00 C ATOM 133 OE1 GLU A 9 13.080 5.522 9.870 1.00 0.00 O ATOM 134 OE2 GLU A 9 12.657 7.583 10.453 1.00 0.00 O ATOM 0 H GLU A 9 8.158 4.595 8.834 1.00 0.00 H new ATOM 0 HA GLU A 9 11.061 4.497 8.598 1.00 0.00 H new ATOM 0 HB2 GLU A 9 9.599 4.329 11.267 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.262 3.837 11.016 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.198 6.660 10.642 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.034 6.080 12.069 1.00 0.00 H new ATOM 141 N ASN A 10 10.880 1.918 8.958 1.00 0.00 N ATOM 142 CA ASN A 10 10.765 0.470 8.762 1.00 0.00 C ATOM 143 C ASN A 10 10.806 -0.211 10.129 1.00 0.00 C ATOM 144 O ASN A 10 11.852 -0.704 10.578 1.00 0.00 O ATOM 145 CB ASN A 10 11.889 -0.016 7.828 1.00 0.00 C ATOM 146 CG ASN A 10 11.915 -1.532 7.587 1.00 0.00 C ATOM 147 OD1 ASN A 10 11.308 -2.338 8.296 1.00 0.00 O ATOM 148 ND2 ASN A 10 12.683 -1.973 6.606 1.00 0.00 N ATOM 0 H ASN A 10 11.847 2.232 9.035 1.00 0.00 H new ATOM 0 HA ASN A 10 9.819 0.213 8.284 1.00 0.00 H new ATOM 0 HB2 ASN A 10 11.788 0.489 6.867 1.00 0.00 H new ATOM 0 HB3 ASN A 10 12.848 0.288 8.248 1.00 0.00 H new ATOM 0 HD21 ASN A 10 12.771 -2.975 6.439 1.00 0.00 H new ATOM 0 HD22 ASN A 10 13.187 -1.311 6.016 1.00 0.00 H new ATOM 155 N ARG A 11 9.651 -0.284 10.787 1.00 0.00 N ATOM 156 CA ARG A 11 9.530 -0.926 12.092 1.00 0.00 C ATOM 157 C ARG A 11 8.782 -2.261 11.964 1.00 0.00 C ATOM 158 O ARG A 11 8.002 -2.547 12.867 1.00 0.00 O ATOM 159 CB ARG A 11 8.868 0.042 13.103 1.00 0.00 C ATOM 160 CG ARG A 11 9.441 1.467 13.119 1.00 0.00 C ATOM 161 CD ARG A 11 8.882 2.211 14.332 1.00 0.00 C ATOM 162 NE ARG A 11 9.477 3.549 14.468 1.00 0.00 N ATOM 163 CZ ARG A 11 8.972 4.559 15.185 1.00 0.00 C ATOM 164 NH1 ARG A 11 7.764 4.474 15.732 1.00 0.00 N ATOM 165 NH2 ARG A 11 9.696 5.653 15.365 1.00 0.00 N ATOM 0 H ARG A 11 8.775 0.099 10.431 1.00 0.00 H new ATOM 0 HA ARG A 11 10.522 -1.159 12.479 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.802 0.099 12.882 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.964 -0.382 14.103 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.530 1.435 13.165 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.176 1.990 12.200 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.800 2.301 14.237 1.00 0.00 H new ATOM 0 HD3 ARG A 11 9.076 1.633 15.235 1.00 0.00 H new ATOM 0 HE ARG A 11 10.351 3.722 13.972 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.206 3.629 15.608 1.00 0.00 H new ATOM 0 HH12 ARG A 11 7.394 5.254 16.276 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.629 5.720 14.959 1.00 0.00 H new ATOM 0 HH22 ARG A 11 9.321 6.429 15.910 1.00 0.00 H new ATOM 179 N GLY A 12 9.013 -3.043 10.896 1.00 0.00 N ATOM 180 CA GLY A 12 8.368 -4.328 10.635 1.00 0.00 C ATOM 181 C GLY A 12 6.933 -4.392 11.158 1.00 0.00 C ATOM 182 O GLY A 12 6.690 -4.979 12.208 1.00 0.00 O ATOM 0 H GLY A 12 9.679 -2.783 10.168 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.367 -4.516 9.561 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.953 -5.123 11.097 1.00 0.00 H new ATOM 186 N LYS A 13 6.010 -3.805 10.398 1.00 0.00 N ATOM 187 CA LYS A 13 4.577 -3.704 10.625 1.00 0.00 C ATOM 188 C LYS A 13 4.203 -2.633 11.644 1.00 0.00 C ATOM 189 O LYS A 13 3.199 -1.941 11.442 1.00 0.00 O ATOM 190 CB LYS A 13 3.937 -4.992 11.124 1.00 0.00 C ATOM 191 CG LYS A 13 4.324 -6.257 10.367 1.00 0.00 C ATOM 192 CD LYS A 13 3.977 -7.505 11.185 1.00 0.00 C ATOM 193 CE LYS A 13 4.937 -7.644 12.372 1.00 0.00 C ATOM 194 NZ LYS A 13 4.377 -8.484 13.438 1.00 0.00 N ATOM 0 H LYS A 13 6.276 -3.346 9.527 1.00 0.00 H new ATOM 0 HA LYS A 13 4.200 -3.452 9.634 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.199 -5.124 12.174 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.854 -4.880 11.078 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.804 -6.287 9.410 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.392 -6.244 10.149 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.950 -7.439 11.544 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.038 -8.391 10.553 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.878 -8.074 12.029 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.165 -6.656 12.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.058 -8.551 14.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.492 -8.061 13.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.183 -9.435 13.065 1.00 0.00 H new ATOM 208 N ASP A 14 5.002 -2.435 12.684 1.00 0.00 N ATOM 209 CA ASP A 14 4.814 -1.318 13.618 1.00 0.00 C ATOM 210 C ASP A 14 5.118 0.023 12.925 1.00 0.00 C ATOM 211 O ASP A 14 4.901 1.099 13.488 1.00 0.00 O ATOM 212 CB ASP A 14 5.671 -1.453 14.883 1.00 0.00 C ATOM 213 CG ASP A 14 5.360 -2.651 15.781 1.00 0.00 C ATOM 214 OD1 ASP A 14 4.967 -3.743 15.310 1.00 0.00 O ATOM 215 OD2 ASP A 14 5.560 -2.522 17.009 1.00 0.00 O ATOM 0 H ASP A 14 5.795 -3.036 12.908 1.00 0.00 H new ATOM 0 HA ASP A 14 3.769 -1.344 13.927 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.718 -1.511 14.584 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.558 -0.543 15.473 1.00 0.00 H new ATOM 220 N SER A 15 5.642 -0.062 11.698 1.00 0.00 N ATOM 221 CA SER A 15 5.952 0.948 10.708 1.00 0.00 C ATOM 222 C SER A 15 4.861 2.032 10.664 1.00 0.00 C ATOM 223 O SER A 15 3.744 1.753 10.227 1.00 0.00 O ATOM 224 CB SER A 15 6.163 0.207 9.387 1.00 0.00 C ATOM 225 OG SER A 15 7.078 -0.856 9.596 1.00 0.00 O ATOM 0 H SER A 15 5.891 -0.982 11.335 1.00 0.00 H new ATOM 0 HA SER A 15 6.860 1.500 10.949 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.214 -0.180 9.017 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.546 0.890 8.629 1.00 0.00 H new ATOM 0 HG SER A 15 7.218 -1.338 8.754 1.00 0.00 H new ATOM 231 N PRO A 16 5.132 3.241 11.184 1.00 0.00 N ATOM 232 CA PRO A 16 4.119 4.274 11.361 1.00 0.00 C ATOM 233 C PRO A 16 3.772 4.927 10.025 1.00 0.00 C ATOM 234 O PRO A 16 4.682 5.292 9.274 1.00 0.00 O ATOM 235 CB PRO A 16 4.756 5.279 12.320 1.00 0.00 C ATOM 236 CG PRO A 16 6.259 5.138 12.091 1.00 0.00 C ATOM 237 CD PRO A 16 6.405 3.661 11.753 1.00 0.00 C ATOM 0 HA PRO A 16 3.183 3.875 11.751 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.418 6.294 12.111 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.491 5.061 13.355 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.607 5.776 11.279 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.832 5.410 12.978 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.218 3.503 11.044 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.642 3.080 12.644 1.00 0.00 H new ATOM 245 N ILE A 17 2.481 5.104 9.726 1.00 0.00 N ATOM 246 CA ILE A 17 2.049 5.710 8.474 1.00 0.00 C ATOM 247 C ILE A 17 2.519 7.175 8.403 1.00 0.00 C ATOM 248 O ILE A 17 2.264 7.980 9.307 1.00 0.00 O ATOM 249 CB ILE A 17 0.529 5.499 8.291 1.00 0.00 C ATOM 250 CG1 ILE A 17 0.113 5.802 6.838 1.00 0.00 C ATOM 251 CG2 ILE A 17 -0.298 6.314 9.295 1.00 0.00 C ATOM 252 CD1 ILE A 17 -1.288 5.288 6.507 1.00 0.00 C ATOM 0 H ILE A 17 1.716 4.832 10.343 1.00 0.00 H new ATOM 0 HA ILE A 17 2.518 5.221 7.620 1.00 0.00 H new ATOM 0 HB ILE A 17 0.317 4.450 8.498 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.150 6.878 6.671 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.833 5.349 6.156 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.359 6.131 9.125 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.036 6.015 10.310 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.087 7.375 9.164 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.529 5.529 5.472 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.321 4.207 6.645 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.015 5.761 7.168 1.00 0.00 H new ATOM 264 N SER A 18 3.200 7.529 7.315 1.00 0.00 N ATOM 265 CA SER A 18 3.547 8.896 6.973 1.00 0.00 C ATOM 266 C SER A 18 2.270 9.698 6.741 1.00 0.00 C ATOM 267 O SER A 18 1.180 9.152 6.530 1.00 0.00 O ATOM 268 CB SER A 18 4.369 8.907 5.682 1.00 0.00 C ATOM 269 OG SER A 18 4.956 10.172 5.435 1.00 0.00 O ATOM 0 H SER A 18 3.532 6.849 6.631 1.00 0.00 H new ATOM 0 HA SER A 18 4.124 9.334 7.787 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.151 8.151 5.745 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.729 8.635 4.843 1.00 0.00 H new ATOM 0 HG SER A 18 5.473 10.136 4.603 1.00 0.00 H new ATOM 275 N GLU A 19 2.423 11.016 6.655 1.00 0.00 N ATOM 276 CA GLU A 19 1.277 11.871 6.386 1.00 0.00 C ATOM 277 C GLU A 19 1.043 12.067 4.894 1.00 0.00 C ATOM 278 O GLU A 19 -0.044 12.508 4.504 1.00 0.00 O ATOM 279 CB GLU A 19 1.418 13.229 7.083 1.00 0.00 C ATOM 280 CG GLU A 19 1.132 13.169 8.595 1.00 0.00 C ATOM 281 CD GLU A 19 2.394 13.254 9.449 1.00 0.00 C ATOM 282 OE1 GLU A 19 2.924 14.382 9.598 1.00 0.00 O ATOM 283 OE2 GLU A 19 2.845 12.229 10.013 1.00 0.00 O ATOM 0 H GLU A 19 3.311 11.505 6.765 1.00 0.00 H new ATOM 0 HA GLU A 19 0.406 11.359 6.794 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.428 13.607 6.926 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.735 13.941 6.619 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.463 13.986 8.864 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.609 12.240 8.823 1.00 0.00 H new ATOM 290 N HIS A 20 2.032 11.735 4.062 1.00 0.00 N ATOM 291 CA HIS A 20 2.004 12.008 2.634 1.00 0.00 C ATOM 292 C HIS A 20 2.378 10.730 1.875 1.00 0.00 C ATOM 293 O HIS A 20 2.517 9.666 2.473 1.00 0.00 O ATOM 294 CB HIS A 20 2.904 13.220 2.345 1.00 0.00 C ATOM 295 CG HIS A 20 2.533 14.443 3.152 1.00 0.00 C ATOM 296 ND1 HIS A 20 3.230 14.942 4.238 1.00 0.00 N ATOM 297 CD2 HIS A 20 1.412 15.210 2.985 1.00 0.00 C ATOM 298 CE1 HIS A 20 2.550 16.003 4.706 1.00 0.00 C ATOM 299 NE2 HIS A 20 1.446 16.192 3.959 1.00 0.00 N ATOM 0 H HIS A 20 2.882 11.264 4.370 1.00 0.00 H new ATOM 0 HA HIS A 20 1.009 12.281 2.284 1.00 0.00 H new ATOM 0 HB2 HIS A 20 3.940 12.954 2.556 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.847 13.462 1.284 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.646 15.075 2.235 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.844 16.609 5.550 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.755 16.931 4.089 1.00 0.00 H new ATOM 308 N PHE A 21 2.448 10.813 0.542 1.00 0.00 N ATOM 309 CA PHE A 21 2.866 9.724 -0.337 1.00 0.00 C ATOM 310 C PHE A 21 4.087 10.178 -1.122 1.00 0.00 C ATOM 311 O PHE A 21 5.124 9.522 -1.080 1.00 0.00 O ATOM 312 CB PHE A 21 1.720 9.355 -1.291 1.00 0.00 C ATOM 313 CG PHE A 21 2.118 8.414 -2.416 1.00 0.00 C ATOM 314 CD1 PHE A 21 2.260 7.043 -2.146 1.00 0.00 C ATOM 315 CD2 PHE A 21 2.377 8.899 -3.718 1.00 0.00 C ATOM 316 CE1 PHE A 21 2.675 6.163 -3.159 1.00 0.00 C ATOM 317 CE2 PHE A 21 2.796 8.011 -4.730 1.00 0.00 C ATOM 318 CZ PHE A 21 2.958 6.649 -4.445 1.00 0.00 C ATOM 0 H PHE A 21 2.208 11.665 0.034 1.00 0.00 H new ATOM 0 HA PHE A 21 3.118 8.841 0.251 1.00 0.00 H new ATOM 0 HB2 PHE A 21 0.918 8.894 -0.715 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.316 10.270 -1.725 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.049 6.664 -1.157 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.254 9.949 -3.938 1.00 0.00 H new ATOM 0 HE1 PHE A 21 2.777 5.109 -2.948 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.992 8.381 -5.725 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.301 5.973 -5.215 1.00 0.00 H new ATOM 328 N GLY A 22 3.968 11.298 -1.835 1.00 0.00 N ATOM 329 CA GLY A 22 4.928 11.699 -2.855 1.00 0.00 C ATOM 330 C GLY A 22 6.359 11.980 -2.371 1.00 0.00 C ATOM 331 O GLY A 22 7.210 12.227 -3.228 1.00 0.00 O ATOM 0 H GLY A 22 3.196 11.955 -1.718 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.971 10.915 -3.612 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.551 12.596 -3.346 1.00 0.00 H new ATOM 335 N ARG A 23 6.654 11.977 -1.065 1.00 0.00 N ATOM 336 CA ARG A 23 8.025 11.887 -0.565 1.00 0.00 C ATOM 337 C ARG A 23 8.054 11.074 0.724 1.00 0.00 C ATOM 338 O ARG A 23 8.735 11.459 1.671 1.00 0.00 O ATOM 339 CB ARG A 23 8.662 13.289 -0.433 1.00 0.00 C ATOM 340 CG ARG A 23 8.056 14.267 0.596 1.00 0.00 C ATOM 341 CD ARG A 23 9.091 14.692 1.655 1.00 0.00 C ATOM 342 NE ARG A 23 8.586 15.784 2.494 1.00 0.00 N ATOM 343 CZ ARG A 23 9.330 16.646 3.195 1.00 0.00 C ATOM 344 NH1 ARG A 23 10.607 16.405 3.479 1.00 0.00 N ATOM 345 NH2 ARG A 23 8.775 17.781 3.612 1.00 0.00 N ATOM 0 H ARG A 23 5.949 12.037 -0.330 1.00 0.00 H new ATOM 0 HA ARG A 23 8.645 11.354 -1.286 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.715 13.155 -0.186 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.622 13.767 -1.412 1.00 0.00 H new ATOM 0 HG2 ARG A 23 7.679 15.150 0.081 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.204 13.797 1.087 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.343 13.837 2.282 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.010 15.007 1.161 1.00 0.00 H new ATOM 0 HE ARG A 23 7.574 15.896 2.548 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.046 15.542 3.160 1.00 0.00 H new ATOM 0 HH12 ARG A 23 11.147 17.084 4.016 1.00 0.00 H new ATOM 0 HH21 ARG A 23 7.798 17.981 3.396 1.00 0.00 H new ATOM 0 HH22 ARG A 23 9.326 18.451 4.148 1.00 0.00 H new ATOM 359 N ALA A 24 7.278 9.997 0.826 1.00 0.00 N ATOM 360 CA ALA A 24 7.402 9.073 1.947 1.00 0.00 C ATOM 361 C ALA A 24 8.817 8.464 1.857 1.00 0.00 C ATOM 362 O ALA A 24 9.296 8.239 0.746 1.00 0.00 O ATOM 363 CB ALA A 24 6.338 7.985 1.815 1.00 0.00 C ATOM 0 H ALA A 24 6.559 9.745 0.147 1.00 0.00 H new ATOM 0 HA ALA A 24 7.260 9.570 2.907 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.424 7.289 2.650 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.348 8.441 1.823 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.482 7.447 0.878 1.00 0.00 H new ATOM 369 N PRO A 25 9.499 8.174 2.969 1.00 0.00 N ATOM 370 CA PRO A 25 10.809 7.520 2.933 1.00 0.00 C ATOM 371 C PRO A 25 10.757 6.020 2.592 1.00 0.00 C ATOM 372 O PRO A 25 11.775 5.469 2.161 1.00 0.00 O ATOM 373 CB PRO A 25 11.417 7.765 4.318 1.00 0.00 C ATOM 374 CG PRO A 25 10.206 7.987 5.216 1.00 0.00 C ATOM 375 CD PRO A 25 9.183 8.645 4.302 1.00 0.00 C ATOM 0 HA PRO A 25 11.414 7.939 2.129 1.00 0.00 H new ATOM 0 HB2 PRO A 25 12.010 6.913 4.650 1.00 0.00 H new ATOM 0 HB3 PRO A 25 12.078 8.632 4.317 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.832 7.047 5.621 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.451 8.625 6.065 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.167 8.369 4.586 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.246 9.732 4.360 1.00 0.00 H new ATOM 383 N TYR A 26 9.596 5.369 2.730 1.00 0.00 N ATOM 384 CA TYR A 26 9.417 3.926 2.578 1.00 0.00 C ATOM 385 C TYR A 26 8.027 3.632 1.976 1.00 0.00 C ATOM 386 O TYR A 26 7.145 4.492 2.071 1.00 0.00 O ATOM 387 CB TYR A 26 9.544 3.303 3.978 1.00 0.00 C ATOM 388 CG TYR A 26 10.897 3.406 4.665 1.00 0.00 C ATOM 389 CD1 TYR A 26 11.907 2.498 4.320 1.00 0.00 C ATOM 390 CD2 TYR A 26 11.148 4.361 5.670 1.00 0.00 C ATOM 391 CE1 TYR A 26 13.166 2.555 4.936 1.00 0.00 C ATOM 392 CE2 TYR A 26 12.409 4.434 6.294 1.00 0.00 C ATOM 393 CZ TYR A 26 13.426 3.522 5.930 1.00 0.00 C ATOM 394 OH TYR A 26 14.640 3.516 6.550 1.00 0.00 O ATOM 0 H TYR A 26 8.727 5.852 2.958 1.00 0.00 H new ATOM 0 HA TYR A 26 10.165 3.505 1.906 1.00 0.00 H new ATOM 0 HB2 TYR A 26 8.801 3.770 4.624 1.00 0.00 H new ATOM 0 HB3 TYR A 26 9.283 2.247 3.903 1.00 0.00 H new ATOM 0 HD1 TYR A 26 11.714 1.745 3.570 1.00 0.00 H new ATOM 0 HD2 TYR A 26 10.365 5.044 5.965 1.00 0.00 H new ATOM 0 HE1 TYR A 26 13.938 1.857 4.649 1.00 0.00 H new ATOM 0 HE2 TYR A 26 12.598 5.184 7.048 1.00 0.00 H new ATOM 0 HH TYR A 26 14.674 4.240 7.210 1.00 0.00 H new ATOM 404 N PHE A 27 7.804 2.441 1.396 1.00 0.00 N ATOM 405 CA PHE A 27 6.503 1.929 0.954 1.00 0.00 C ATOM 406 C PHE A 27 6.360 0.487 1.439 1.00 0.00 C ATOM 407 O PHE A 27 6.966 -0.425 0.869 1.00 0.00 O ATOM 408 CB PHE A 27 6.335 1.970 -0.583 1.00 0.00 C ATOM 409 CG PHE A 27 6.175 3.351 -1.216 1.00 0.00 C ATOM 410 CD1 PHE A 27 5.462 4.384 -0.574 1.00 0.00 C ATOM 411 CD2 PHE A 27 6.690 3.602 -2.499 1.00 0.00 C ATOM 412 CE1 PHE A 27 5.230 5.612 -1.210 1.00 0.00 C ATOM 413 CE2 PHE A 27 6.448 4.825 -3.154 1.00 0.00 C ATOM 414 CZ PHE A 27 5.710 5.831 -2.509 1.00 0.00 C ATOM 0 H PHE A 27 8.562 1.782 1.216 1.00 0.00 H new ATOM 0 HA PHE A 27 5.730 2.570 1.377 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.202 1.487 -1.034 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.463 1.371 -0.847 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.087 4.227 0.427 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.281 2.844 -2.991 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.681 6.389 -0.699 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.829 4.989 -4.151 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.514 6.767 -3.010 1.00 0.00 H new ATOM 424 N ALA A 28 5.552 0.277 2.476 1.00 0.00 N ATOM 425 CA ALA A 28 5.191 -1.044 2.948 1.00 0.00 C ATOM 426 C ALA A 28 4.074 -1.592 2.063 1.00 0.00 C ATOM 427 O ALA A 28 2.905 -1.312 2.307 1.00 0.00 O ATOM 428 CB ALA A 28 4.759 -0.947 4.415 1.00 0.00 C ATOM 0 H ALA A 28 5.128 1.033 3.014 1.00 0.00 H new ATOM 0 HA ALA A 28 6.038 -1.727 2.891 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.485 -1.937 4.780 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.583 -0.555 5.012 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.901 -0.279 4.498 1.00 0.00 H new ATOM 434 N PHE A 29 4.417 -2.348 1.021 1.00 0.00 N ATOM 435 CA PHE A 29 3.459 -3.138 0.259 1.00 0.00 C ATOM 436 C PHE A 29 3.236 -4.437 1.035 1.00 0.00 C ATOM 437 O PHE A 29 4.101 -5.309 1.076 1.00 0.00 O ATOM 438 CB PHE A 29 3.967 -3.359 -1.178 1.00 0.00 C ATOM 439 CG PHE A 29 3.367 -2.436 -2.242 1.00 0.00 C ATOM 440 CD1 PHE A 29 1.968 -2.332 -2.404 1.00 0.00 C ATOM 441 CD2 PHE A 29 4.198 -1.717 -3.125 1.00 0.00 C ATOM 442 CE1 PHE A 29 1.408 -1.500 -3.383 1.00 0.00 C ATOM 443 CE2 PHE A 29 3.631 -0.959 -4.170 1.00 0.00 C ATOM 444 CZ PHE A 29 2.239 -0.820 -4.281 1.00 0.00 C ATOM 0 H PHE A 29 5.376 -2.428 0.682 1.00 0.00 H new ATOM 0 HA PHE A 29 2.503 -2.626 0.148 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.050 -3.235 -1.184 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.763 -4.391 -1.462 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.317 -2.905 -1.761 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.270 -1.747 -3.001 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.336 -1.384 -3.445 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.275 -0.480 -4.893 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.813 -0.195 -5.052 1.00 0.00 H new ATOM 454 N VAL A 30 2.132 -4.541 1.764 1.00 0.00 N ATOM 455 CA VAL A 30 1.683 -5.784 2.396 1.00 0.00 C ATOM 456 C VAL A 30 0.883 -6.562 1.351 1.00 0.00 C ATOM 457 O VAL A 30 0.433 -5.972 0.371 1.00 0.00 O ATOM 458 CB VAL A 30 0.847 -5.459 3.657 1.00 0.00 C ATOM 459 CG1 VAL A 30 0.702 -6.690 4.565 1.00 0.00 C ATOM 460 CG2 VAL A 30 1.493 -4.331 4.481 1.00 0.00 C ATOM 0 H VAL A 30 1.509 -3.752 1.938 1.00 0.00 H new ATOM 0 HA VAL A 30 2.523 -6.394 2.729 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.135 -5.143 3.304 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.110 -6.428 5.442 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.204 -7.490 4.017 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.689 -7.027 4.882 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.882 -4.126 5.360 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.491 -4.636 4.796 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.565 -3.430 3.871 1.00 0.00 H new ATOM 470 N LYS A 31 0.693 -7.869 1.514 1.00 0.00 N ATOM 471 CA LYS A 31 -0.161 -8.662 0.627 1.00 0.00 C ATOM 472 C LYS A 31 -1.398 -9.099 1.408 1.00 0.00 C ATOM 473 O LYS A 31 -1.690 -8.541 2.466 1.00 0.00 O ATOM 474 CB LYS A 31 0.663 -9.796 -0.009 1.00 0.00 C ATOM 475 CG LYS A 31 1.880 -9.219 -0.753 1.00 0.00 C ATOM 476 CD LYS A 31 2.506 -10.181 -1.766 1.00 0.00 C ATOM 477 CE LYS A 31 1.828 -10.073 -3.138 1.00 0.00 C ATOM 478 NZ LYS A 31 2.535 -10.856 -4.171 1.00 0.00 N ATOM 0 H LYS A 31 1.125 -8.410 2.263 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.531 -8.083 -0.219 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.996 -10.490 0.763 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.040 -10.363 -0.701 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.578 -8.309 -1.271 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.637 -8.934 -0.023 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.569 -9.964 -1.866 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.423 -11.203 -1.398 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.798 -10.422 -3.061 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.788 -9.027 -3.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.043 -10.754 -5.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.510 -10.507 -4.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.551 -11.859 -3.896 1.00 0.00 H new ATOM 492 N VAL A 32 -2.173 -10.046 0.875 1.00 0.00 N ATOM 493 CA VAL A 32 -3.170 -10.777 1.648 1.00 0.00 C ATOM 494 C VAL A 32 -3.484 -12.122 0.981 1.00 0.00 C ATOM 495 O VAL A 32 -3.550 -12.235 -0.250 1.00 0.00 O ATOM 496 CB VAL A 32 -4.418 -9.885 1.860 1.00 0.00 C ATOM 497 CG1 VAL A 32 -4.998 -9.360 0.543 1.00 0.00 C ATOM 498 CG2 VAL A 32 -5.534 -10.539 2.689 1.00 0.00 C ATOM 0 H VAL A 32 -2.124 -10.325 -0.105 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.780 -11.016 2.637 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.037 -9.046 2.442 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.871 -8.741 0.751 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.246 -8.765 0.026 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.291 -10.200 -0.086 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.368 -9.845 2.788 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.874 -11.446 2.190 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.152 -10.791 3.679 1.00 0.00 H new ATOM 508 N LYS A 33 -3.734 -13.145 1.795 1.00 0.00 N ATOM 509 CA LYS A 33 -4.231 -14.475 1.454 1.00 0.00 C ATOM 510 C LYS A 33 -5.292 -14.783 2.497 1.00 0.00 C ATOM 511 O LYS A 33 -4.989 -14.720 3.683 1.00 0.00 O ATOM 512 CB LYS A 33 -3.081 -15.491 1.551 1.00 0.00 C ATOM 513 CG LYS A 33 -3.461 -16.978 1.418 1.00 0.00 C ATOM 514 CD LYS A 33 -3.525 -17.534 -0.009 1.00 0.00 C ATOM 515 CE LYS A 33 -4.862 -17.240 -0.684 1.00 0.00 C ATOM 516 NZ LYS A 33 -5.169 -18.172 -1.787 1.00 0.00 N ATOM 0 H LYS A 33 -3.580 -13.056 2.799 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.633 -14.524 0.442 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.352 -15.255 0.776 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.583 -15.351 2.510 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.740 -17.568 1.984 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.433 -17.127 1.888 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.718 -17.102 -0.602 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.362 -18.611 0.015 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.657 -17.292 0.060 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.852 -16.220 -1.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.088 -17.923 -2.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.428 -18.106 -2.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.208 -19.144 -1.419 1.00 0.00 H new ATOM 530 N ASN A 34 -6.512 -15.097 2.061 1.00 0.00 N ATOM 531 CA ASN A 34 -7.658 -15.512 2.879 1.00 0.00 C ATOM 532 C ASN A 34 -7.701 -14.765 4.215 1.00 0.00 C ATOM 533 O ASN A 34 -7.624 -15.360 5.292 1.00 0.00 O ATOM 534 CB ASN A 34 -7.721 -17.051 2.995 1.00 0.00 C ATOM 535 CG ASN A 34 -8.115 -17.705 1.671 1.00 0.00 C ATOM 536 OD1 ASN A 34 -8.192 -17.037 0.643 1.00 0.00 O ATOM 537 ND2 ASN A 34 -8.363 -19.000 1.635 1.00 0.00 N ATOM 0 H ASN A 34 -6.743 -15.068 1.068 1.00 0.00 H new ATOM 0 HA ASN A 34 -8.579 -15.220 2.374 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.750 -17.431 3.314 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -8.440 -17.328 3.765 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -8.618 -19.446 0.754 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -8.299 -19.555 2.488 1.00 0.00 H new ATOM 544 N ASN A 35 -7.833 -13.438 4.094 1.00 0.00 N ATOM 545 CA ASN A 35 -7.968 -12.436 5.153 1.00 0.00 C ATOM 546 C ASN A 35 -6.750 -12.283 6.070 1.00 0.00 C ATOM 547 O ASN A 35 -6.868 -11.627 7.104 1.00 0.00 O ATOM 548 CB ASN A 35 -9.224 -12.685 5.995 1.00 0.00 C ATOM 549 CG ASN A 35 -9.905 -11.382 6.391 1.00 0.00 C ATOM 550 OD1 ASN A 35 -10.600 -10.787 5.571 1.00 0.00 O ATOM 551 ND2 ASN A 35 -9.768 -10.934 7.623 1.00 0.00 N ATOM 0 H ASN A 35 -7.849 -13.003 3.172 1.00 0.00 H new ATOM 0 HA ASN A 35 -8.053 -11.491 4.616 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.923 -13.304 5.432 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.956 -13.243 6.892 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.244 -10.079 7.910 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.186 -11.443 8.289 1.00 0.00 H new ATOM 558 N ALA A 36 -5.594 -12.863 5.750 1.00 0.00 N ATOM 559 CA ALA A 36 -4.380 -12.702 6.536 1.00 0.00 C ATOM 560 C ALA A 36 -3.258 -12.172 5.645 1.00 0.00 C ATOM 561 O ALA A 36 -3.364 -12.229 4.424 1.00 0.00 O ATOM 562 CB ALA A 36 -3.990 -14.053 7.144 1.00 0.00 C ATOM 0 H ALA A 36 -5.477 -13.461 4.932 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.551 -11.987 7.341 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.081 -13.938 7.734 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.796 -14.410 7.785 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.815 -14.774 6.346 1.00 0.00 H new ATOM 568 N ILE A 37 -2.182 -11.675 6.253 1.00 0.00 N ATOM 569 CA ILE A 37 -1.167 -10.804 5.651 1.00 0.00 C ATOM 570 C ILE A 37 -0.506 -11.397 4.398 1.00 0.00 C ATOM 571 O ILE A 37 -0.114 -10.647 3.509 1.00 0.00 O ATOM 572 CB ILE A 37 -0.160 -10.422 6.777 1.00 0.00 C ATOM 573 CG1 ILE A 37 -0.640 -9.193 7.585 1.00 0.00 C ATOM 574 CG2 ILE A 37 1.272 -10.134 6.296 1.00 0.00 C ATOM 575 CD1 ILE A 37 -1.992 -9.368 8.287 1.00 0.00 C ATOM 0 H ILE A 37 -1.982 -11.879 7.232 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.639 -9.902 5.262 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.129 -11.316 7.400 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.114 -8.953 8.335 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.704 -8.337 6.913 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.898 -9.878 7.151 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.675 -11.019 5.803 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.259 -9.301 5.593 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.243 -8.455 8.827 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.763 -9.574 7.545 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.932 -10.199 8.989 1.00 0.00 H new ATOM 587 N ALA A 38 -0.427 -12.720 4.276 1.00 0.00 N ATOM 588 CA ALA A 38 0.391 -13.489 3.338 1.00 0.00 C ATOM 589 C ALA A 38 1.892 -13.185 3.410 1.00 0.00 C ATOM 590 O ALA A 38 2.682 -14.122 3.536 1.00 0.00 O ATOM 591 CB ALA A 38 -0.126 -13.323 1.907 1.00 0.00 C ATOM 0 H ALA A 38 -0.977 -13.332 4.879 1.00 0.00 H new ATOM 0 HA ALA A 38 0.288 -14.529 3.647 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.496 -13.903 1.226 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.155 -13.677 1.849 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.088 -12.270 1.626 1.00 0.00 H new ATOM 597 N ASP A 39 2.281 -11.920 3.231 1.00 0.00 N ATOM 598 CA ASP A 39 3.648 -11.484 2.976 1.00 0.00 C ATOM 599 C ASP A 39 3.789 -9.976 3.252 1.00 0.00 C ATOM 600 O ASP A 39 2.814 -9.224 3.146 1.00 0.00 O ATOM 601 CB ASP A 39 3.939 -11.780 1.496 1.00 0.00 C ATOM 602 CG ASP A 39 5.412 -11.732 1.119 1.00 0.00 C ATOM 603 OD1 ASP A 39 6.284 -11.573 1.999 1.00 0.00 O ATOM 604 OD2 ASP A 39 5.687 -11.888 -0.094 1.00 0.00 O ATOM 0 H ASP A 39 1.621 -11.143 3.262 1.00 0.00 H new ATOM 0 HA ASP A 39 4.350 -12.005 3.626 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.547 -12.768 1.253 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.396 -11.061 0.882 1.00 0.00 H new ATOM 609 N ILE A 40 5.005 -9.524 3.562 1.00 0.00 N ATOM 610 CA ILE A 40 5.396 -8.160 3.918 1.00 0.00 C ATOM 611 C ILE A 40 6.571 -7.800 2.997 1.00 0.00 C ATOM 612 O ILE A 40 7.619 -8.449 3.058 1.00 0.00 O ATOM 613 CB ILE A 40 5.760 -8.108 5.434 1.00 0.00 C ATOM 614 CG1 ILE A 40 4.518 -8.075 6.364 1.00 0.00 C ATOM 615 CG2 ILE A 40 6.750 -6.992 5.818 1.00 0.00 C ATOM 616 CD1 ILE A 40 3.896 -6.691 6.638 1.00 0.00 C ATOM 0 H ILE A 40 5.807 -10.154 3.571 1.00 0.00 H new ATOM 0 HA ILE A 40 4.596 -7.433 3.777 1.00 0.00 H new ATOM 0 HB ILE A 40 6.278 -9.053 5.598 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.749 -8.713 5.928 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.797 -8.518 7.320 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.945 -7.032 6.890 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.684 -7.131 5.274 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.322 -6.022 5.563 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.037 -6.803 7.300 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.637 -6.046 7.111 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.574 -6.244 5.697 1.00 0.00 H new ATOM 628 N SER A 41 6.414 -6.793 2.137 1.00 0.00 N ATOM 629 CA SER A 41 7.488 -6.121 1.418 1.00 0.00 C ATOM 630 C SER A 41 7.605 -4.727 2.018 1.00 0.00 C ATOM 631 O SER A 41 6.771 -3.866 1.725 1.00 0.00 O ATOM 632 CB SER A 41 7.141 -6.070 -0.077 1.00 0.00 C ATOM 633 OG SER A 41 7.510 -7.293 -0.678 1.00 0.00 O ATOM 0 H SER A 41 5.495 -6.410 1.916 1.00 0.00 H new ATOM 0 HA SER A 41 8.440 -6.645 1.510 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.074 -5.893 -0.210 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.664 -5.242 -0.557 1.00 0.00 H new ATOM 0 HG SER A 41 7.290 -7.268 -1.633 1.00 0.00 H new ATOM 639 N VAL A 42 8.549 -4.512 2.933 1.00 0.00 N ATOM 640 CA VAL A 42 8.862 -3.188 3.449 1.00 0.00 C ATOM 641 C VAL A 42 10.043 -2.711 2.599 1.00 0.00 C ATOM 642 O VAL A 42 11.201 -2.986 2.908 1.00 0.00 O ATOM 643 CB VAL A 42 9.000 -3.209 4.995 1.00 0.00 C ATOM 644 CG1 VAL A 42 10.062 -4.168 5.540 1.00 0.00 C ATOM 645 CG2 VAL A 42 9.165 -1.809 5.608 1.00 0.00 C ATOM 0 H VAL A 42 9.118 -5.256 3.336 1.00 0.00 H new ATOM 0 HA VAL A 42 8.075 -2.441 3.344 1.00 0.00 H new ATOM 0 HB VAL A 42 8.040 -3.611 5.320 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.081 -4.109 6.628 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.823 -5.187 5.236 1.00 0.00 H new ATOM 0 HG13 VAL A 42 11.039 -3.891 5.145 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.256 -1.894 6.691 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.062 -1.338 5.204 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.294 -1.200 5.364 1.00 0.00 H new ATOM 655 N GLU A 43 9.748 -2.097 1.450 1.00 0.00 N ATOM 656 CA GLU A 43 10.768 -1.563 0.545 1.00 0.00 C ATOM 657 C GLU A 43 10.998 -0.085 0.874 1.00 0.00 C ATOM 658 O GLU A 43 10.081 0.608 1.331 1.00 0.00 O ATOM 659 CB GLU A 43 10.315 -1.657 -0.920 1.00 0.00 C ATOM 660 CG GLU A 43 9.808 -3.032 -1.380 1.00 0.00 C ATOM 661 CD GLU A 43 10.930 -4.034 -1.650 1.00 0.00 C ATOM 662 OE1 GLU A 43 11.456 -4.645 -0.690 1.00 0.00 O ATOM 663 OE2 GLU A 43 11.214 -4.262 -2.848 1.00 0.00 O ATOM 0 H GLU A 43 8.793 -1.956 1.121 1.00 0.00 H new ATOM 0 HA GLU A 43 11.679 -2.147 0.676 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.522 -0.926 -1.082 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.151 -1.368 -1.557 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.143 -3.439 -0.618 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.216 -2.908 -2.287 1.00 0.00 H new ATOM 670 N GLU A 44 12.192 0.416 0.572 1.00 0.00 N ATOM 671 CA GLU A 44 12.503 1.838 0.623 1.00 0.00 C ATOM 672 C GLU A 44 11.665 2.581 -0.433 1.00 0.00 C ATOM 673 O GLU A 44 11.068 1.964 -1.317 1.00 0.00 O ATOM 674 CB GLU A 44 14.013 2.028 0.384 1.00 0.00 C ATOM 675 CG GLU A 44 14.887 1.329 1.450 1.00 0.00 C ATOM 676 CD GLU A 44 16.224 0.805 0.887 1.00 0.00 C ATOM 677 OE1 GLU A 44 16.912 1.518 0.125 1.00 0.00 O ATOM 678 OE2 GLU A 44 16.632 -0.342 1.195 1.00 0.00 O ATOM 0 H GLU A 44 12.980 -0.163 0.281 1.00 0.00 H new ATOM 0 HA GLU A 44 12.255 2.251 1.601 1.00 0.00 H new ATOM 0 HB2 GLU A 44 14.271 1.639 -0.601 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.243 3.094 0.376 1.00 0.00 H new ATOM 0 HG2 GLU A 44 15.090 2.029 2.261 1.00 0.00 H new ATOM 0 HG3 GLU A 44 14.329 0.497 1.880 1.00 0.00 H new ATOM 685 N ASN A 45 11.616 3.913 -0.373 1.00 0.00 N ATOM 686 CA ASN A 45 11.255 4.719 -1.534 1.00 0.00 C ATOM 687 C ASN A 45 12.542 4.969 -2.306 1.00 0.00 C ATOM 688 O ASN A 45 13.364 5.748 -1.819 1.00 0.00 O ATOM 689 CB ASN A 45 10.642 6.067 -1.133 1.00 0.00 C ATOM 690 CG ASN A 45 9.232 6.181 -1.646 1.00 0.00 C ATOM 691 OD1 ASN A 45 9.008 6.573 -2.790 1.00 0.00 O ATOM 692 ND2 ASN A 45 8.280 5.798 -0.820 1.00 0.00 N ATOM 0 H ASN A 45 11.822 4.453 0.467 1.00 0.00 H new ATOM 0 HA ASN A 45 10.508 4.191 -2.126 1.00 0.00 H new ATOM 0 HB2 ASN A 45 10.649 6.167 -0.048 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.247 6.881 -1.532 1.00 0.00 H new ATOM 0 HD21 ASN A 45 7.305 5.819 -1.120 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.517 5.481 0.120 1.00 0.00 H new ATOM 699 N PRO A 46 12.760 4.391 -3.495 1.00 0.00 N ATOM 700 CA PRO A 46 13.987 4.624 -4.244 1.00 0.00 C ATOM 701 C PRO A 46 14.104 6.070 -4.773 1.00 0.00 C ATOM 702 O PRO A 46 15.149 6.437 -5.304 1.00 0.00 O ATOM 703 CB PRO A 46 13.984 3.562 -5.349 1.00 0.00 C ATOM 704 CG PRO A 46 12.510 3.206 -5.552 1.00 0.00 C ATOM 705 CD PRO A 46 11.872 3.475 -4.190 1.00 0.00 C ATOM 0 HA PRO A 46 14.870 4.528 -3.613 1.00 0.00 H new ATOM 0 HB2 PRO A 46 14.427 3.947 -6.267 1.00 0.00 H new ATOM 0 HB3 PRO A 46 14.565 2.687 -5.057 1.00 0.00 H new ATOM 0 HG2 PRO A 46 12.056 3.817 -6.333 1.00 0.00 H new ATOM 0 HG3 PRO A 46 12.389 2.165 -5.851 1.00 0.00 H new ATOM 0 HD2 PRO A 46 10.879 3.909 -4.305 1.00 0.00 H new ATOM 0 HD3 PRO A 46 11.752 2.549 -3.628 1.00 0.00 H new ATOM 713 N LEU A 47 13.059 6.898 -4.641 1.00 0.00 N ATOM 714 CA LEU A 47 13.044 8.294 -5.071 1.00 0.00 C ATOM 715 C LEU A 47 12.481 9.181 -3.953 1.00 0.00 C ATOM 716 O LEU A 47 11.742 10.126 -4.238 1.00 0.00 O ATOM 717 CB LEU A 47 12.141 8.436 -6.311 1.00 0.00 C ATOM 718 CG LEU A 47 12.463 7.787 -7.660 1.00 0.00 C ATOM 719 CD1 LEU A 47 13.830 8.232 -8.168 1.00 0.00 C ATOM 720 CD2 LEU A 47 12.293 6.268 -7.727 1.00 0.00 C ATOM 0 H LEU A 47 12.178 6.602 -4.220 1.00 0.00 H new ATOM 0 HA LEU A 47 14.063 8.602 -5.307 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.157 8.070 -6.019 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.041 9.505 -6.499 1.00 0.00 H new ATOM 0 HG LEU A 47 11.692 8.158 -8.335 1.00 0.00 H new ATOM 0 HD11 LEU A 47 14.034 7.757 -9.127 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.838 9.315 -8.291 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.597 7.943 -7.449 1.00 0.00 H new ATOM 0 HD21 LEU A 47 12.548 5.917 -8.727 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.951 5.796 -6.998 1.00 0.00 H new ATOM 0 HD23 LEU A 47 11.258 6.007 -7.504 1.00 0.00 H new ATOM 732 N ALA A 48 12.815 8.921 -2.680 1.00 0.00 N ATOM 733 CA ALA A 48 12.192 9.624 -1.556 1.00 0.00 C ATOM 734 C ALA A 48 12.423 11.129 -1.671 1.00 0.00 C ATOM 735 O ALA A 48 11.520 11.947 -1.456 1.00 0.00 O ATOM 736 CB ALA A 48 12.771 9.101 -0.230 1.00 0.00 C ATOM 0 H ALA A 48 13.513 8.229 -2.407 1.00 0.00 H new ATOM 0 HA ALA A 48 11.118 9.437 -1.578 1.00 0.00 H new ATOM 0 HB1 ALA A 48 12.305 9.627 0.603 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.572 8.033 -0.142 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.847 9.272 -0.210 1.00 0.00 H new ATOM 742 N GLN A 49 13.652 11.496 -2.031 1.00 0.00 N ATOM 743 CA GLN A 49 14.095 12.882 -2.046 1.00 0.00 C ATOM 744 C GLN A 49 15.154 13.139 -3.120 1.00 0.00 C ATOM 745 O GLN A 49 15.899 14.122 -3.054 1.00 0.00 O ATOM 746 CB GLN A 49 14.498 13.293 -0.618 1.00 0.00 C ATOM 747 CG GLN A 49 15.618 12.497 0.072 1.00 0.00 C ATOM 748 CD GLN A 49 15.892 13.039 1.481 1.00 0.00 C ATOM 749 OE1 GLN A 49 15.156 13.867 2.014 1.00 0.00 O ATOM 750 NE2 GLN A 49 16.909 12.544 2.164 1.00 0.00 N ATOM 0 H GLN A 49 14.370 10.833 -2.322 1.00 0.00 H new ATOM 0 HA GLN A 49 13.275 13.535 -2.344 1.00 0.00 H new ATOM 0 HB2 GLN A 49 14.800 14.340 -0.644 1.00 0.00 H new ATOM 0 HB3 GLN A 49 13.609 13.233 0.010 1.00 0.00 H new ATOM 0 HG2 GLN A 49 15.338 11.445 0.131 1.00 0.00 H new ATOM 0 HG3 GLN A 49 16.528 12.551 -0.525 1.00 0.00 H new ATOM 0 HE21 GLN A 49 17.527 11.856 1.733 1.00 0.00 H new ATOM 0 HE22 GLN A 49 17.076 12.849 3.123 1.00 0.00 H new ATOM 759 N ASP A 50 15.229 12.249 -4.113 1.00 0.00 N ATOM 760 CA ASP A 50 16.288 12.264 -5.107 1.00 0.00 C ATOM 761 C ASP A 50 15.839 13.021 -6.355 1.00 0.00 C ATOM 762 O ASP A 50 15.227 12.437 -7.256 1.00 0.00 O ATOM 763 CB ASP A 50 16.744 10.839 -5.424 1.00 0.00 C ATOM 764 CG ASP A 50 18.135 10.934 -6.023 1.00 0.00 C ATOM 765 OD1 ASP A 50 18.287 11.350 -7.200 1.00 0.00 O ATOM 766 OD2 ASP A 50 19.105 10.734 -5.271 1.00 0.00 O ATOM 0 H ASP A 50 14.551 11.498 -4.244 1.00 0.00 H new ATOM 0 HA ASP A 50 17.150 12.795 -4.703 1.00 0.00 H new ATOM 0 HB2 ASP A 50 16.755 10.229 -4.521 1.00 0.00 H new ATOM 0 HB3 ASP A 50 16.056 10.362 -6.122 1.00 0.00 H new ATOM 771 N HIS A 51 16.094 14.340 -6.390 1.00 0.00 N ATOM 772 CA HIS A 51 15.884 15.202 -7.570 1.00 0.00 C ATOM 773 C HIS A 51 14.445 15.073 -8.122 1.00 0.00 C ATOM 774 O HIS A 51 14.214 15.180 -9.330 1.00 0.00 O ATOM 775 CB HIS A 51 17.000 14.853 -8.583 1.00 0.00 C ATOM 776 CG HIS A 51 17.279 15.821 -9.712 1.00 0.00 C ATOM 777 ND1 HIS A 51 16.353 16.265 -10.635 1.00 0.00 N ATOM 778 CD2 HIS A 51 18.523 16.180 -10.159 1.00 0.00 C ATOM 779 CE1 HIS A 51 17.017 16.900 -11.618 1.00 0.00 C ATOM 780 NE2 HIS A 51 18.337 16.852 -11.353 1.00 0.00 N ATOM 0 H HIS A 51 16.459 14.848 -5.584 1.00 0.00 H new ATOM 0 HA HIS A 51 15.963 16.260 -7.318 1.00 0.00 H new ATOM 0 HB2 HIS A 51 17.926 14.721 -8.023 1.00 0.00 H new ATOM 0 HB3 HIS A 51 16.755 13.888 -9.027 1.00 0.00 H new ATOM 0 HD1 HIS A 51 15.343 16.135 -10.581 1.00 0.00 H new ATOM 0 HD2 HIS A 51 19.466 15.977 -9.673 1.00 0.00 H new ATOM 0 HE1 HIS A 51 16.566 17.371 -12.479 1.00 0.00 H new ATOM 789 N VAL A 52 13.485 14.783 -7.240 1.00 0.00 N ATOM 790 CA VAL A 52 12.316 13.957 -7.529 1.00 0.00 C ATOM 791 C VAL A 52 11.485 14.512 -8.699 1.00 0.00 C ATOM 792 O VAL A 52 10.980 15.636 -8.624 1.00 0.00 O ATOM 793 CB VAL A 52 11.558 13.736 -6.197 1.00 0.00 C ATOM 794 CG1 VAL A 52 10.898 14.999 -5.622 1.00 0.00 C ATOM 795 CG2 VAL A 52 10.511 12.621 -6.293 1.00 0.00 C ATOM 0 H VAL A 52 13.502 15.127 -6.280 1.00 0.00 H new ATOM 0 HA VAL A 52 12.603 12.974 -7.902 1.00 0.00 H new ATOM 0 HB VAL A 52 12.345 13.437 -5.504 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.390 14.752 -4.690 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.661 15.753 -5.431 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.174 15.389 -6.337 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.010 12.509 -5.332 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.777 12.876 -7.057 1.00 0.00 H new ATOM 0 HG23 VAL A 52 11.001 11.684 -6.559 1.00 0.00 H new ATOM 805 N HIS A 53 11.363 13.751 -9.792 1.00 0.00 N ATOM 806 CA HIS A 53 10.547 14.094 -10.954 1.00 0.00 C ATOM 807 C HIS A 53 9.894 12.837 -11.531 1.00 0.00 C ATOM 808 O HIS A 53 10.494 12.102 -12.315 1.00 0.00 O ATOM 809 CB HIS A 53 11.363 14.870 -12.004 1.00 0.00 C ATOM 810 CG HIS A 53 11.344 16.359 -11.745 1.00 0.00 C ATOM 811 ND1 HIS A 53 10.227 17.169 -11.836 1.00 0.00 N ATOM 812 CD2 HIS A 53 12.398 17.141 -11.366 1.00 0.00 C ATOM 813 CE1 HIS A 53 10.599 18.422 -11.523 1.00 0.00 C ATOM 814 NE2 HIS A 53 11.915 18.430 -11.238 1.00 0.00 N ATOM 0 H HIS A 53 11.843 12.857 -9.892 1.00 0.00 H new ATOM 0 HA HIS A 53 9.747 14.762 -10.635 1.00 0.00 H new ATOM 0 HB2 HIS A 53 12.393 14.514 -11.999 1.00 0.00 H new ATOM 0 HB3 HIS A 53 10.961 14.669 -12.997 1.00 0.00 H new ATOM 0 HD2 HIS A 53 13.414 16.815 -11.198 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.948 19.283 -11.503 1.00 0.00 H new ATOM 0 HE2 HIS A 53 12.463 19.248 -10.973 1.00 0.00 H new ATOM 823 N GLY A 54 8.635 12.605 -11.156 1.00 0.00 N ATOM 824 CA GLY A 54 7.731 11.766 -11.931 1.00 0.00 C ATOM 825 C GLY A 54 8.001 10.264 -11.875 1.00 0.00 C ATOM 826 O GLY A 54 7.453 9.539 -12.705 1.00 0.00 O ATOM 0 H GLY A 54 8.218 12.993 -10.310 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.713 11.946 -11.585 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.774 12.085 -12.973 1.00 0.00 H new ATOM 830 N ALA A 55 8.818 9.768 -10.937 1.00 0.00 N ATOM 831 CA ALA A 55 9.227 8.363 -10.933 1.00 0.00 C ATOM 832 C ALA A 55 8.867 7.605 -9.656 1.00 0.00 C ATOM 833 O ALA A 55 8.756 6.384 -9.715 1.00 0.00 O ATOM 834 CB ALA A 55 10.715 8.283 -11.229 1.00 0.00 C ATOM 0 H ALA A 55 9.207 10.321 -10.173 1.00 0.00 H new ATOM 0 HA ALA A 55 8.658 7.859 -11.715 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.031 7.240 -11.228 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.916 8.722 -12.206 1.00 0.00 H new ATOM 0 HB3 ALA A 55 11.268 8.830 -10.465 1.00 0.00 H new ATOM 840 N VAL A 56 8.564 8.292 -8.545 1.00 0.00 N ATOM 841 CA VAL A 56 8.090 7.647 -7.310 1.00 0.00 C ATOM 842 C VAL A 56 6.943 6.650 -7.625 1.00 0.00 C ATOM 843 O VAL A 56 7.017 5.506 -7.181 1.00 0.00 O ATOM 844 CB VAL A 56 7.659 8.711 -6.262 1.00 0.00 C ATOM 845 CG1 VAL A 56 6.502 8.289 -5.345 1.00 0.00 C ATOM 846 CG2 VAL A 56 8.825 9.218 -5.420 1.00 0.00 C ATOM 0 H VAL A 56 8.640 9.307 -8.476 1.00 0.00 H new ATOM 0 HA VAL A 56 8.912 7.078 -6.875 1.00 0.00 H new ATOM 0 HB VAL A 56 7.284 9.527 -6.880 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.275 9.097 -4.650 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.621 8.071 -5.948 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.788 7.398 -4.785 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.464 9.958 -4.706 1.00 0.00 H new ATOM 0 HG22 VAL A 56 9.275 8.384 -4.881 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.571 9.675 -6.070 1.00 0.00 H new ATOM 856 N PRO A 57 5.875 7.030 -8.365 1.00 0.00 N ATOM 857 CA PRO A 57 4.805 6.094 -8.689 1.00 0.00 C ATOM 858 C PRO A 57 5.194 5.105 -9.790 1.00 0.00 C ATOM 859 O PRO A 57 4.536 4.079 -9.926 1.00 0.00 O ATOM 860 CB PRO A 57 3.629 6.948 -9.155 1.00 0.00 C ATOM 861 CG PRO A 57 4.175 8.345 -9.433 1.00 0.00 C ATOM 862 CD PRO A 57 5.641 8.313 -9.019 1.00 0.00 C ATOM 0 HA PRO A 57 4.568 5.489 -7.814 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.177 6.525 -10.052 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.851 6.983 -8.392 1.00 0.00 H new ATOM 0 HG2 PRO A 57 4.073 8.601 -10.488 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.626 9.098 -8.868 1.00 0.00 H new ATOM 0 HD2 PRO A 57 6.289 8.426 -9.888 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.868 9.137 -8.343 1.00 0.00 H new ATOM 870 N ASN A 58 6.212 5.397 -10.605 1.00 0.00 N ATOM 871 CA ASN A 58 6.638 4.485 -11.661 1.00 0.00 C ATOM 872 C ASN A 58 7.224 3.224 -11.031 1.00 0.00 C ATOM 873 O ASN A 58 6.899 2.124 -11.473 1.00 0.00 O ATOM 874 CB ASN A 58 7.644 5.161 -12.595 1.00 0.00 C ATOM 875 CG ASN A 58 7.800 4.367 -13.886 1.00 0.00 C ATOM 876 OD1 ASN A 58 8.235 3.223 -13.886 1.00 0.00 O ATOM 877 ND2 ASN A 58 7.480 4.970 -15.014 1.00 0.00 N ATOM 0 H ASN A 58 6.754 6.259 -10.551 1.00 0.00 H new ATOM 0 HA ASN A 58 5.775 4.208 -12.267 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.312 6.174 -12.823 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.609 5.247 -12.096 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.594 4.483 -15.903 1.00 0.00 H new ATOM 0 HD22 ASN A 58 7.119 5.924 -14.998 1.00 0.00 H new ATOM 884 N PHE A 59 8.002 3.399 -9.953 1.00 0.00 N ATOM 885 CA PHE A 59 8.453 2.318 -9.090 1.00 0.00 C ATOM 886 C PHE A 59 7.259 1.487 -8.613 1.00 0.00 C ATOM 887 O PHE A 59 7.161 0.323 -8.974 1.00 0.00 O ATOM 888 CB PHE A 59 9.279 2.872 -7.920 1.00 0.00 C ATOM 889 CG PHE A 59 9.466 1.881 -6.786 1.00 0.00 C ATOM 890 CD1 PHE A 59 10.152 0.672 -7.024 1.00 0.00 C ATOM 891 CD2 PHE A 59 8.916 2.145 -5.514 1.00 0.00 C ATOM 892 CE1 PHE A 59 10.302 -0.270 -5.992 1.00 0.00 C ATOM 893 CE2 PHE A 59 9.095 1.205 -4.478 1.00 0.00 C ATOM 894 CZ PHE A 59 9.781 0.002 -4.717 1.00 0.00 C ATOM 0 H PHE A 59 8.337 4.316 -9.658 1.00 0.00 H new ATOM 0 HA PHE A 59 9.106 1.655 -9.658 1.00 0.00 H new ATOM 0 HB2 PHE A 59 10.258 3.177 -8.290 1.00 0.00 H new ATOM 0 HB3 PHE A 59 8.791 3.767 -7.533 1.00 0.00 H new ATOM 0 HD1 PHE A 59 10.563 0.470 -8.002 1.00 0.00 H new ATOM 0 HD2 PHE A 59 8.364 3.056 -5.336 1.00 0.00 H new ATOM 0 HE1 PHE A 59 10.817 -1.201 -6.179 1.00 0.00 H new ATOM 0 HE2 PHE A 59 8.702 1.411 -3.493 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.908 -0.714 -3.919 1.00 0.00 H new ATOM 904 N VAL A 60 6.329 2.043 -7.832 1.00 0.00 N ATOM 905 CA VAL A 60 5.253 1.215 -7.269 1.00 0.00 C ATOM 906 C VAL A 60 4.336 0.592 -8.338 1.00 0.00 C ATOM 907 O VAL A 60 3.868 -0.528 -8.152 1.00 0.00 O ATOM 908 CB VAL A 60 4.477 1.965 -6.174 1.00 0.00 C ATOM 909 CG1 VAL A 60 5.286 2.000 -4.864 1.00 0.00 C ATOM 910 CG2 VAL A 60 4.151 3.414 -6.506 1.00 0.00 C ATOM 0 H VAL A 60 6.295 3.031 -7.579 1.00 0.00 H new ATOM 0 HA VAL A 60 5.737 0.365 -6.789 1.00 0.00 H new ATOM 0 HB VAL A 60 3.544 1.408 -6.083 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.720 2.535 -4.101 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.477 0.981 -4.527 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.235 2.509 -5.036 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.603 3.863 -5.677 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.076 3.966 -6.671 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.540 3.452 -7.408 1.00 0.00 H new ATOM 920 N LYS A 61 4.153 1.224 -9.499 1.00 0.00 N ATOM 921 CA LYS A 61 3.488 0.598 -10.647 1.00 0.00 C ATOM 922 C LYS A 61 4.261 -0.606 -11.197 1.00 0.00 C ATOM 923 O LYS A 61 3.642 -1.443 -11.850 1.00 0.00 O ATOM 924 CB LYS A 61 3.222 1.595 -11.779 1.00 0.00 C ATOM 925 CG LYS A 61 2.059 2.565 -11.514 1.00 0.00 C ATOM 926 CD LYS A 61 1.656 3.329 -12.770 1.00 0.00 C ATOM 927 CE LYS A 61 2.804 4.088 -13.441 1.00 0.00 C ATOM 928 NZ LYS A 61 3.332 3.373 -14.622 1.00 0.00 N ATOM 0 H LYS A 61 4.460 2.181 -9.671 1.00 0.00 H new ATOM 0 HA LYS A 61 2.532 0.242 -10.263 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.128 2.174 -11.956 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.014 1.040 -12.694 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.201 2.008 -11.137 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.347 3.272 -10.736 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.232 2.627 -13.488 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.869 4.038 -12.513 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.457 5.076 -13.742 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.608 4.239 -12.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.107 3.924 -15.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.688 2.440 -14.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.573 3.252 -15.322 1.00 0.00 H new ATOM 942 N GLU A 62 5.574 -0.738 -10.993 1.00 0.00 N ATOM 943 CA GLU A 62 6.251 -1.991 -11.311 1.00 0.00 C ATOM 944 C GLU A 62 5.886 -3.081 -10.294 1.00 0.00 C ATOM 945 O GLU A 62 5.938 -4.261 -10.640 1.00 0.00 O ATOM 946 CB GLU A 62 7.775 -1.813 -11.501 1.00 0.00 C ATOM 947 CG GLU A 62 8.676 -1.855 -10.249 1.00 0.00 C ATOM 948 CD GLU A 62 9.800 -2.885 -10.360 1.00 0.00 C ATOM 949 OE1 GLU A 62 9.531 -4.104 -10.248 1.00 0.00 O ATOM 950 OE2 GLU A 62 10.971 -2.471 -10.505 1.00 0.00 O ATOM 0 H GLU A 62 6.177 -0.007 -10.616 1.00 0.00 H new ATOM 0 HA GLU A 62 5.887 -2.329 -12.281 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.118 -2.590 -12.184 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.939 -0.857 -11.997 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.109 -0.868 -10.086 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.065 -2.084 -9.375 1.00 0.00 H new ATOM 957 N LYS A 63 5.485 -2.728 -9.065 1.00 0.00 N ATOM 958 CA LYS A 63 5.272 -3.660 -7.953 1.00 0.00 C ATOM 959 C LYS A 63 3.843 -4.218 -7.966 1.00 0.00 C ATOM 960 O LYS A 63 3.256 -4.396 -6.907 1.00 0.00 O ATOM 961 CB LYS A 63 5.560 -2.957 -6.602 1.00 0.00 C ATOM 962 CG LYS A 63 6.937 -2.287 -6.456 1.00 0.00 C ATOM 963 CD LYS A 63 8.114 -3.270 -6.438 1.00 0.00 C ATOM 964 CE LYS A 63 8.489 -3.689 -5.013 1.00 0.00 C ATOM 965 NZ LYS A 63 9.573 -4.700 -5.006 1.00 0.00 N ATOM 0 H LYS A 63 5.295 -1.758 -8.812 1.00 0.00 H new ATOM 0 HA LYS A 63 5.963 -4.495 -8.074 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.793 -2.199 -6.442 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.452 -3.693 -5.805 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.076 -1.585 -7.278 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.950 -1.705 -5.535 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.857 -4.155 -7.020 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.977 -2.811 -6.920 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.805 -2.813 -4.447 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.611 -4.094 -4.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.095 -4.643 -4.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.162 -5.650 -5.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.223 -4.518 -5.797 1.00 0.00 H new ATOM 979 N GLY A 64 3.300 -4.504 -9.154 1.00 0.00 N ATOM 980 CA GLY A 64 2.098 -5.305 -9.424 1.00 0.00 C ATOM 981 C GLY A 64 0.923 -5.139 -8.451 1.00 0.00 C ATOM 982 O GLY A 64 0.282 -6.132 -8.112 1.00 0.00 O ATOM 0 H GLY A 64 3.719 -4.157 -10.017 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.746 -5.062 -10.426 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.385 -6.356 -9.433 1.00 0.00 H new ATOM 986 N ALA A 65 0.676 -3.920 -7.957 1.00 0.00 N ATOM 987 CA ALA A 65 -0.227 -3.676 -6.840 1.00 0.00 C ATOM 988 C ALA A 65 -1.714 -3.626 -7.229 1.00 0.00 C ATOM 989 O ALA A 65 -2.045 -3.621 -8.415 1.00 0.00 O ATOM 990 CB ALA A 65 0.221 -2.368 -6.203 1.00 0.00 C ATOM 0 H ALA A 65 1.104 -3.072 -8.329 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.166 -4.513 -6.145 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.425 -2.136 -5.356 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.251 -2.465 -5.858 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.158 -1.565 -6.938 1.00 0.00 H new ATOM 996 N GLU A 66 -2.600 -3.501 -6.222 1.00 0.00 N ATOM 997 CA GLU A 66 -4.062 -3.468 -6.363 1.00 0.00 C ATOM 998 C GLU A 66 -4.730 -2.485 -5.404 1.00 0.00 C ATOM 999 O GLU A 66 -5.764 -1.912 -5.752 1.00 0.00 O ATOM 1000 CB GLU A 66 -4.656 -4.844 -6.083 1.00 0.00 C ATOM 1001 CG GLU A 66 -4.498 -5.790 -7.271 1.00 0.00 C ATOM 1002 CD GLU A 66 -3.788 -7.064 -6.839 1.00 0.00 C ATOM 1003 OE1 GLU A 66 -2.674 -7.011 -6.268 1.00 0.00 O ATOM 1004 OE2 GLU A 66 -4.428 -8.138 -6.846 1.00 0.00 O ATOM 0 H GLU A 66 -2.301 -3.417 -5.250 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.252 -3.150 -7.388 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.171 -5.277 -5.208 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.714 -4.740 -5.841 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.477 -6.033 -7.684 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.931 -5.300 -8.062 1.00 0.00 H new ATOM 1011 N LEU A 67 -4.170 -2.265 -4.209 1.00 0.00 N ATOM 1012 CA LEU A 67 -4.675 -1.285 -3.259 1.00 0.00 C ATOM 1013 C LEU A 67 -3.512 -0.472 -2.697 1.00 0.00 C ATOM 1014 O LEU A 67 -2.345 -0.880 -2.727 1.00 0.00 O ATOM 1015 CB LEU A 67 -5.518 -1.987 -2.166 1.00 0.00 C ATOM 1016 CG LEU A 67 -6.063 -1.088 -1.033 1.00 0.00 C ATOM 1017 CD1 LEU A 67 -7.008 0.016 -1.513 1.00 0.00 C ATOM 1018 CD2 LEU A 67 -6.837 -1.935 -0.030 1.00 0.00 C ATOM 0 H LEU A 67 -3.348 -2.769 -3.878 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.343 -0.582 -3.757 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.363 -2.477 -2.649 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.909 -2.771 -1.716 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.185 -0.615 -0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.346 0.602 -0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.483 0.665 -2.213 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.869 -0.432 -2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.219 -1.297 0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.670 -2.425 -0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.176 -2.690 0.395 1.00 0.00 H new ATOM 1030 N VAL A 68 -3.836 0.696 -2.161 1.00 0.00 N ATOM 1031 CA VAL A 68 -2.944 1.595 -1.466 1.00 0.00 C ATOM 1032 C VAL A 68 -3.774 2.164 -0.318 1.00 0.00 C ATOM 1033 O VAL A 68 -4.888 2.626 -0.563 1.00 0.00 O ATOM 1034 CB VAL A 68 -2.475 2.707 -2.429 1.00 0.00 C ATOM 1035 CG1 VAL A 68 -1.159 3.320 -1.957 1.00 0.00 C ATOM 1036 CG2 VAL A 68 -2.255 2.239 -3.872 1.00 0.00 C ATOM 0 H VAL A 68 -4.789 1.058 -2.206 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.045 1.102 -1.096 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.290 3.431 -2.419 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.851 4.100 -2.653 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.293 3.751 -0.965 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.392 2.547 -1.916 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.927 3.081 -4.482 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.493 1.460 -3.890 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.188 1.843 -4.272 1.00 0.00 H new ATOM 1046 N ILE A 69 -3.263 2.146 0.910 1.00 0.00 N ATOM 1047 CA ILE A 69 -3.872 2.790 2.061 1.00 0.00 C ATOM 1048 C ILE A 69 -2.906 3.901 2.473 1.00 0.00 C ATOM 1049 O ILE A 69 -1.770 3.649 2.869 1.00 0.00 O ATOM 1050 CB ILE A 69 -4.196 1.789 3.189 1.00 0.00 C ATOM 1051 CG1 ILE A 69 -5.157 0.667 2.742 1.00 0.00 C ATOM 1052 CG2 ILE A 69 -4.822 2.572 4.350 1.00 0.00 C ATOM 1053 CD1 ILE A 69 -5.219 -0.479 3.762 1.00 0.00 C ATOM 0 H ILE A 69 -2.390 1.669 1.134 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.847 3.214 1.819 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.269 1.300 3.487 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.156 1.080 2.600 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.834 0.276 1.777 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.062 1.887 5.163 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.116 3.323 4.704 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.733 3.063 4.008 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.907 -1.246 3.406 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.226 -0.911 3.885 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.568 -0.095 4.720 1.00 0.00 H new ATOM 1065 N VAL A 70 -3.335 5.145 2.302 1.00 0.00 N ATOM 1066 CA VAL A 70 -2.533 6.347 2.470 1.00 0.00 C ATOM 1067 C VAL A 70 -3.268 7.319 3.391 1.00 0.00 C ATOM 1068 O VAL A 70 -4.450 7.143 3.698 1.00 0.00 O ATOM 1069 CB VAL A 70 -2.227 6.963 1.087 1.00 0.00 C ATOM 1070 CG1 VAL A 70 -1.554 5.957 0.149 1.00 0.00 C ATOM 1071 CG2 VAL A 70 -3.482 7.484 0.374 1.00 0.00 C ATOM 0 H VAL A 70 -4.296 5.351 2.030 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.578 6.108 2.937 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.557 7.796 1.298 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.357 6.432 -0.812 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.614 5.622 0.588 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.212 5.100 0.002 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.203 7.905 -0.592 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.182 6.662 0.223 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.953 8.255 0.984 1.00 0.00 H new ATOM 1081 N ARG A 71 -2.590 8.387 3.811 1.00 0.00 N ATOM 1082 CA ARG A 71 -3.187 9.426 4.634 1.00 0.00 C ATOM 1083 C ARG A 71 -3.565 10.603 3.741 1.00 0.00 C ATOM 1084 O ARG A 71 -4.630 10.550 3.120 1.00 0.00 O ATOM 1085 CB ARG A 71 -2.282 9.696 5.848 1.00 0.00 C ATOM 1086 CG ARG A 71 -3.088 10.216 7.042 1.00 0.00 C ATOM 1087 CD ARG A 71 -2.373 9.875 8.359 1.00 0.00 C ATOM 1088 NE ARG A 71 -3.188 10.236 9.521 1.00 0.00 N ATOM 1089 CZ ARG A 71 -3.323 11.450 10.059 1.00 0.00 C ATOM 1090 NH1 ARG A 71 -2.799 12.531 9.480 1.00 0.00 N ATOM 1091 NH2 ARG A 71 -3.982 11.575 11.200 1.00 0.00 N ATOM 0 H ARG A 71 -1.609 8.552 3.587 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.133 9.133 5.090 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.764 8.779 6.129 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -1.517 10.424 5.579 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.217 11.295 6.960 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.084 9.774 7.037 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.149 8.809 8.387 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.420 10.402 8.404 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.707 9.480 9.966 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.281 12.441 8.606 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.916 13.448 9.911 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.377 10.751 11.654 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.095 12.495 11.626 1.00 0.00 H new ATOM 1105 N GLY A 72 -2.708 11.615 3.584 1.00 0.00 N ATOM 1106 CA GLY A 72 -3.063 12.837 2.867 1.00 0.00 C ATOM 1107 C GLY A 72 -2.827 12.782 1.354 1.00 0.00 C ATOM 1108 O GLY A 72 -3.413 13.592 0.639 1.00 0.00 O ATOM 0 H GLY A 72 -1.755 11.609 3.948 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.115 13.057 3.049 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.488 13.665 3.281 1.00 0.00 H new ATOM 1112 N ILE A 73 -1.978 11.858 0.875 1.00 0.00 N ATOM 1113 CA ILE A 73 -1.484 11.717 -0.507 1.00 0.00 C ATOM 1114 C ILE A 73 -1.408 13.071 -1.265 1.00 0.00 C ATOM 1115 O ILE A 73 -0.760 14.004 -0.780 1.00 0.00 O ATOM 1116 CB ILE A 73 -2.167 10.503 -1.213 1.00 0.00 C ATOM 1117 CG1 ILE A 73 -1.571 10.178 -2.600 1.00 0.00 C ATOM 1118 CG2 ILE A 73 -3.699 10.576 -1.370 1.00 0.00 C ATOM 1119 CD1 ILE A 73 -1.447 8.685 -2.900 1.00 0.00 C ATOM 0 H ILE A 73 -1.591 11.138 1.486 1.00 0.00 H new ATOM 0 HA ILE A 73 -0.430 11.440 -0.503 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.946 9.706 -0.502 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.193 10.640 -3.367 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.584 10.634 -2.674 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.056 9.678 -1.874 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.162 10.649 -0.386 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.963 11.453 -1.961 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.020 8.548 -3.893 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.799 8.217 -2.159 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.434 8.223 -2.862 1.00 0.00 H new ATOM 1131 N GLY A 74 -1.964 13.148 -2.470 1.00 0.00 N ATOM 1132 CA GLY A 74 -2.125 14.276 -3.387 1.00 0.00 C ATOM 1133 C GLY A 74 -3.123 13.829 -4.473 1.00 0.00 C ATOM 1134 O GLY A 74 -3.755 12.787 -4.281 1.00 0.00 O ATOM 0 H GLY A 74 -2.367 12.307 -2.883 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.497 15.154 -2.858 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.169 14.553 -3.831 1.00 0.00 H new ATOM 1138 N ARG A 75 -3.229 14.493 -5.633 1.00 0.00 N ATOM 1139 CA ARG A 75 -3.920 13.949 -6.823 1.00 0.00 C ATOM 1140 C ARG A 75 -2.918 13.368 -7.825 1.00 0.00 C ATOM 1141 O ARG A 75 -3.209 12.333 -8.412 1.00 0.00 O ATOM 1142 CB ARG A 75 -4.815 15.026 -7.481 1.00 0.00 C ATOM 1143 CG ARG A 75 -6.064 14.512 -8.238 1.00 0.00 C ATOM 1144 CD ARG A 75 -5.805 13.596 -9.449 1.00 0.00 C ATOM 1145 NE ARG A 75 -6.988 13.409 -10.316 1.00 0.00 N ATOM 1146 CZ ARG A 75 -7.522 14.270 -11.197 1.00 0.00 C ATOM 1147 NH1 ARG A 75 -6.967 15.453 -11.423 1.00 0.00 N ATOM 1148 NH2 ARG A 75 -8.640 13.960 -11.844 1.00 0.00 N ATOM 0 H ARG A 75 -2.839 15.424 -5.778 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.566 13.134 -6.495 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.145 15.717 -6.705 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.204 15.599 -8.179 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -6.694 13.972 -7.531 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.635 15.375 -8.579 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.993 14.015 -10.043 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.470 12.622 -9.092 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.460 12.508 -10.234 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.119 15.722 -10.924 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.388 16.093 -12.096 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.097 13.064 -11.672 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.042 14.618 -12.512 1.00 0.00 H new ATOM 1162 N ARG A 76 -1.739 13.965 -8.028 1.00 0.00 N ATOM 1163 CA ARG A 76 -0.885 13.583 -9.164 1.00 0.00 C ATOM 1164 C ARG A 76 -0.416 12.127 -9.187 1.00 0.00 C ATOM 1165 O ARG A 76 -0.026 11.632 -10.242 1.00 0.00 O ATOM 1166 CB ARG A 76 0.296 14.546 -9.287 1.00 0.00 C ATOM 1167 CG ARG A 76 1.438 14.231 -8.310 1.00 0.00 C ATOM 1168 CD ARG A 76 2.564 15.223 -8.572 1.00 0.00 C ATOM 1169 NE ARG A 76 3.803 14.795 -7.906 1.00 0.00 N ATOM 1170 CZ ARG A 76 4.756 15.550 -7.348 1.00 0.00 C ATOM 1171 NH1 ARG A 76 4.685 16.877 -7.303 1.00 0.00 N ATOM 1172 NH2 ARG A 76 5.811 14.943 -6.825 1.00 0.00 N ATOM 0 H ARG A 76 -1.357 14.701 -7.435 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.530 13.664 -10.039 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.679 14.512 -10.307 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.053 15.563 -9.111 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.092 14.310 -7.280 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.789 13.209 -8.450 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.734 15.311 -9.645 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.275 16.211 -8.213 1.00 0.00 H new ATOM 0 HE ARG A 76 3.956 13.787 -7.864 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.880 17.359 -7.704 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.435 17.413 -6.867 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.881 13.926 -6.855 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.553 15.493 -6.393 1.00 0.00 H new ATOM 1186 N ALA A 77 -0.428 11.440 -8.045 1.00 0.00 N ATOM 1187 CA ALA A 77 -0.120 10.023 -7.962 1.00 0.00 C ATOM 1188 C ALA A 77 -1.363 9.171 -7.687 1.00 0.00 C ATOM 1189 O ALA A 77 -1.241 7.955 -7.736 1.00 0.00 O ATOM 1190 CB ALA A 77 0.968 9.777 -6.919 1.00 0.00 C ATOM 0 H ALA A 77 -0.655 11.862 -7.144 1.00 0.00 H new ATOM 0 HA ALA A 77 0.256 9.711 -8.936 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.188 8.711 -6.868 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.870 10.321 -7.199 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.623 10.123 -5.945 1.00 0.00 H new ATOM 1196 N ILE A 78 -2.554 9.751 -7.461 1.00 0.00 N ATOM 1197 CA ILE A 78 -3.805 9.018 -7.675 1.00 0.00 C ATOM 1198 C ILE A 78 -3.755 8.542 -9.135 1.00 0.00 C ATOM 1199 O ILE A 78 -4.030 7.379 -9.417 1.00 0.00 O ATOM 1200 CB ILE A 78 -5.050 9.894 -7.426 1.00 0.00 C ATOM 1201 CG1 ILE A 78 -5.073 10.454 -5.999 1.00 0.00 C ATOM 1202 CG2 ILE A 78 -6.365 9.168 -7.749 1.00 0.00 C ATOM 1203 CD1 ILE A 78 -5.250 9.443 -4.867 1.00 0.00 C ATOM 0 H ILE A 78 -2.673 10.710 -7.135 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.891 8.189 -6.972 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.971 10.731 -8.119 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.141 10.994 -5.830 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -5.880 11.183 -5.933 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.206 9.834 -7.554 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.370 8.874 -8.799 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.453 8.280 -7.123 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.249 9.965 -3.910 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.197 8.917 -4.993 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.430 8.725 -4.889 1.00 0.00 H new ATOM 1215 N ALA A 79 -3.281 9.415 -10.044 1.00 0.00 N ATOM 1216 CA ALA A 79 -3.100 9.096 -11.453 1.00 0.00 C ATOM 1217 C ALA A 79 -2.184 7.896 -11.727 1.00 0.00 C ATOM 1218 O ALA A 79 -2.178 7.378 -12.843 1.00 0.00 O ATOM 1219 CB ALA A 79 -2.532 10.324 -12.170 1.00 0.00 C ATOM 0 H ALA A 79 -3.013 10.370 -9.807 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.085 8.817 -11.828 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.392 10.096 -13.227 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.226 11.158 -12.067 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.573 10.593 -11.727 1.00 0.00 H new ATOM 1225 N ALA A 80 -1.350 7.473 -10.771 1.00 0.00 N ATOM 1226 CA ALA A 80 -0.545 6.276 -10.931 1.00 0.00 C ATOM 1227 C ALA A 80 -1.449 5.064 -10.845 1.00 0.00 C ATOM 1228 O ALA A 80 -1.478 4.222 -11.731 1.00 0.00 O ATOM 1229 CB ALA A 80 0.510 6.207 -9.832 1.00 0.00 C ATOM 0 H ALA A 80 -1.221 7.950 -9.879 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.044 6.299 -11.899 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.110 5.306 -9.959 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.155 7.084 -9.891 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.020 6.182 -8.859 1.00 0.00 H new ATOM 1235 N PHE A 81 -2.179 4.978 -9.746 1.00 0.00 N ATOM 1236 CA PHE A 81 -3.049 3.901 -9.405 1.00 0.00 C ATOM 1237 C PHE A 81 -4.179 3.831 -10.427 1.00 0.00 C ATOM 1238 O PHE A 81 -4.464 2.749 -10.926 1.00 0.00 O ATOM 1239 CB PHE A 81 -3.465 4.163 -7.951 1.00 0.00 C ATOM 1240 CG PHE A 81 -2.292 4.442 -7.010 1.00 0.00 C ATOM 1241 CD1 PHE A 81 -1.064 3.763 -7.159 1.00 0.00 C ATOM 1242 CD2 PHE A 81 -2.405 5.425 -6.010 1.00 0.00 C ATOM 1243 CE1 PHE A 81 0.034 4.076 -6.339 1.00 0.00 C ATOM 1244 CE2 PHE A 81 -1.326 5.698 -5.152 1.00 0.00 C ATOM 1245 CZ PHE A 81 -0.104 5.029 -5.320 1.00 0.00 C ATOM 0 H PHE A 81 -2.169 5.710 -9.035 1.00 0.00 H new ATOM 0 HA PHE A 81 -2.597 2.910 -9.448 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -4.147 5.013 -7.926 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -4.017 3.300 -7.581 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -0.967 2.994 -7.911 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -3.328 5.974 -5.901 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.982 3.583 -6.494 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -1.438 6.425 -4.361 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.728 5.248 -4.666 1.00 0.00 H new ATOM 1255 N GLU A 82 -4.722 4.970 -10.867 1.00 0.00 N ATOM 1256 CA GLU A 82 -5.662 5.015 -11.979 1.00 0.00 C ATOM 1257 C GLU A 82 -5.093 4.395 -13.261 1.00 0.00 C ATOM 1258 O GLU A 82 -5.876 3.842 -14.038 1.00 0.00 O ATOM 1259 CB GLU A 82 -6.103 6.457 -12.257 1.00 0.00 C ATOM 1260 CG GLU A 82 -7.173 6.964 -11.283 1.00 0.00 C ATOM 1261 CD GLU A 82 -8.065 8.017 -11.948 1.00 0.00 C ATOM 1262 OE1 GLU A 82 -7.721 9.228 -11.947 1.00 0.00 O ATOM 1263 OE2 GLU A 82 -9.109 7.656 -12.529 1.00 0.00 O ATOM 0 H GLU A 82 -4.519 5.883 -10.460 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.523 4.418 -11.679 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.233 7.112 -12.203 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.488 6.522 -13.275 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -7.784 6.129 -10.941 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.695 7.391 -10.402 1.00 0.00 H new ATOM 1270 N ALA A 83 -3.766 4.393 -13.480 1.00 0.00 N ATOM 1271 CA ALA A 83 -3.200 3.805 -14.688 1.00 0.00 C ATOM 1272 C ALA A 83 -3.344 2.284 -14.698 1.00 0.00 C ATOM 1273 O ALA A 83 -3.113 1.665 -15.737 1.00 0.00 O ATOM 1274 CB ALA A 83 -1.727 4.177 -14.824 1.00 0.00 C ATOM 0 H ALA A 83 -3.079 4.790 -12.839 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.758 4.207 -15.534 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.321 3.729 -15.731 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.629 5.261 -14.879 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.177 3.806 -13.959 1.00 0.00 H new ATOM 1280 N MET A 84 -3.711 1.688 -13.568 1.00 0.00 N ATOM 1281 CA MET A 84 -3.911 0.258 -13.384 1.00 0.00 C ATOM 1282 C MET A 84 -5.254 -0.049 -12.697 1.00 0.00 C ATOM 1283 O MET A 84 -5.547 -1.198 -12.369 1.00 0.00 O ATOM 1284 CB MET A 84 -2.674 -0.332 -12.678 1.00 0.00 C ATOM 1285 CG MET A 84 -1.901 0.605 -11.727 1.00 0.00 C ATOM 1286 SD MET A 84 -0.476 -0.133 -10.872 1.00 0.00 S ATOM 1287 CE MET A 84 0.369 -0.950 -12.249 1.00 0.00 C ATOM 0 H MET A 84 -3.885 2.218 -12.714 1.00 0.00 H new ATOM 0 HA MET A 84 -3.995 -0.239 -14.350 1.00 0.00 H new ATOM 0 HB2 MET A 84 -2.992 -1.206 -12.109 1.00 0.00 H new ATOM 0 HB3 MET A 84 -1.982 -0.685 -13.443 1.00 0.00 H new ATOM 0 HG2 MET A 84 -1.552 1.465 -12.299 1.00 0.00 H new ATOM 0 HG3 MET A 84 -2.595 0.983 -10.976 1.00 0.00 H new ATOM 0 HE1 MET A 84 1.310 -1.373 -11.899 1.00 0.00 H new ATOM 0 HE2 MET A 84 -0.263 -1.747 -12.642 1.00 0.00 H new ATOM 0 HE3 MET A 84 0.569 -0.223 -13.036 1.00 0.00 H new ATOM 1297 N GLY A 85 -6.105 0.961 -12.479 1.00 0.00 N ATOM 1298 CA GLY A 85 -7.331 0.813 -11.700 1.00 0.00 C ATOM 1299 C GLY A 85 -7.029 0.263 -10.308 1.00 0.00 C ATOM 1300 O GLY A 85 -7.809 -0.532 -9.783 1.00 0.00 O ATOM 0 H GLY A 85 -5.959 1.904 -12.840 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -7.830 1.778 -11.614 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -8.018 0.144 -12.219 1.00 0.00 H new ATOM 1304 N VAL A 86 -5.916 0.682 -9.719 1.00 0.00 N ATOM 1305 CA VAL A 86 -5.491 0.293 -8.382 1.00 0.00 C ATOM 1306 C VAL A 86 -6.298 1.210 -7.454 1.00 0.00 C ATOM 1307 O VAL A 86 -6.296 2.420 -7.593 1.00 0.00 O ATOM 1308 CB VAL A 86 -3.944 0.457 -8.304 1.00 0.00 C ATOM 1309 CG1 VAL A 86 -3.311 0.497 -6.905 1.00 0.00 C ATOM 1310 CG2 VAL A 86 -3.364 -0.764 -9.019 1.00 0.00 C ATOM 0 H VAL A 86 -5.265 1.322 -10.174 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.678 -0.743 -8.101 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.720 1.431 -8.740 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.231 0.614 -6.997 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.721 1.337 -6.344 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -3.531 -0.432 -6.379 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.275 -0.713 -9.001 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.693 -1.672 -8.513 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.710 -0.779 -10.053 1.00 0.00 H new ATOM 1320 N LYS A 87 -7.090 0.571 -6.575 1.00 0.00 N ATOM 1321 CA LYS A 87 -7.901 1.290 -5.599 1.00 0.00 C ATOM 1322 C LYS A 87 -6.980 2.136 -4.717 1.00 0.00 C ATOM 1323 O LYS A 87 -5.867 1.706 -4.395 1.00 0.00 O ATOM 1324 CB LYS A 87 -8.750 0.296 -4.811 1.00 0.00 C ATOM 1325 CG LYS A 87 -9.760 1.072 -3.953 1.00 0.00 C ATOM 1326 CD LYS A 87 -10.632 0.135 -3.133 1.00 0.00 C ATOM 1327 CE LYS A 87 -11.806 -0.454 -3.917 1.00 0.00 C ATOM 1328 NZ LYS A 87 -12.985 0.436 -3.958 1.00 0.00 N ATOM 0 H LYS A 87 -7.180 -0.444 -6.527 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.596 1.973 -6.088 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.272 -0.376 -5.492 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.115 -0.323 -4.177 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.227 1.751 -3.287 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.390 1.686 -4.597 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.016 -0.679 -2.751 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.018 0.675 -2.269 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.484 -0.666 -4.936 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.093 -1.405 -3.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.844 -0.132 -4.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -13.062 0.952 -3.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.880 1.115 -4.739 1.00 0.00 H new ATOM 1342 N VAL A 88 -7.454 3.289 -4.250 1.00 0.00 N ATOM 1343 CA VAL A 88 -6.727 4.124 -3.312 1.00 0.00 C ATOM 1344 C VAL A 88 -7.663 4.409 -2.142 1.00 0.00 C ATOM 1345 O VAL A 88 -8.764 4.922 -2.321 1.00 0.00 O ATOM 1346 CB VAL A 88 -6.215 5.410 -3.997 1.00 0.00 C ATOM 1347 CG1 VAL A 88 -4.952 5.894 -3.266 1.00 0.00 C ATOM 1348 CG2 VAL A 88 -5.904 5.275 -5.496 1.00 0.00 C ATOM 0 H VAL A 88 -8.362 3.668 -4.518 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.834 3.618 -2.944 1.00 0.00 H new ATOM 0 HB VAL A 88 -7.034 6.126 -3.930 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.582 6.802 -3.742 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.192 6.103 -2.224 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.185 5.121 -3.314 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.552 6.232 -5.882 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.132 4.519 -5.641 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -6.807 4.979 -6.030 1.00 0.00 H new ATOM 1358 N ILE A 89 -7.224 4.126 -0.924 1.00 0.00 N ATOM 1359 CA ILE A 89 -7.958 4.388 0.302 1.00 0.00 C ATOM 1360 C ILE A 89 -7.164 5.442 1.055 1.00 0.00 C ATOM 1361 O ILE A 89 -5.979 5.261 1.325 1.00 0.00 O ATOM 1362 CB ILE A 89 -8.177 3.046 1.028 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -9.404 2.382 0.375 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -8.419 3.193 2.528 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -9.788 1.003 0.907 1.00 0.00 C ATOM 0 H ILE A 89 -6.316 3.693 -0.758 1.00 0.00 H new ATOM 0 HA ILE A 89 -8.961 4.792 0.163 1.00 0.00 H new ATOM 0 HB ILE A 89 -7.271 2.449 0.930 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -10.259 3.047 0.498 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -9.218 2.296 -0.696 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.565 2.208 2.971 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -7.557 3.675 2.990 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -9.308 3.801 2.695 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -10.665 0.638 0.372 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.958 0.312 0.759 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.016 1.074 1.971 1.00 0.00 H new ATOM 1377 N LYS A 90 -7.787 6.588 1.307 1.00 0.00 N ATOM 1378 CA LYS A 90 -7.143 7.795 1.787 1.00 0.00 C ATOM 1379 C LYS A 90 -7.639 8.088 3.206 1.00 0.00 C ATOM 1380 O LYS A 90 -8.729 7.666 3.598 1.00 0.00 O ATOM 1381 CB LYS A 90 -7.474 8.942 0.809 1.00 0.00 C ATOM 1382 CG LYS A 90 -6.764 8.918 -0.560 1.00 0.00 C ATOM 1383 CD LYS A 90 -7.296 7.986 -1.658 1.00 0.00 C ATOM 1384 CE LYS A 90 -8.713 8.341 -2.110 1.00 0.00 C ATOM 1385 NZ LYS A 90 -9.198 7.518 -3.241 1.00 0.00 N ATOM 0 H LYS A 90 -8.792 6.701 1.176 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.060 7.682 1.829 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.550 8.938 0.633 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.234 9.886 1.299 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.777 9.934 -0.955 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.720 8.658 -0.385 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -6.626 8.026 -2.517 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.284 6.959 -1.292 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -9.394 8.223 -1.267 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -8.741 9.392 -2.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.231 7.612 -3.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.751 7.842 -4.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.953 6.521 -3.075 1.00 0.00 H new ATOM 1399 N GLY A 91 -6.869 8.870 3.962 1.00 0.00 N ATOM 1400 CA GLY A 91 -7.243 9.344 5.289 1.00 0.00 C ATOM 1401 C GLY A 91 -6.910 8.376 6.427 1.00 0.00 C ATOM 1402 O GLY A 91 -7.360 8.615 7.544 1.00 0.00 O ATOM 0 H GLY A 91 -5.951 9.197 3.661 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.740 10.292 5.477 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.314 9.544 5.301 1.00 0.00 H new ATOM 1406 N ALA A 92 -6.126 7.321 6.182 1.00 0.00 N ATOM 1407 CA ALA A 92 -5.825 6.260 7.142 1.00 0.00 C ATOM 1408 C ALA A 92 -5.075 6.759 8.383 1.00 0.00 C ATOM 1409 O ALA A 92 -4.627 7.901 8.430 1.00 0.00 O ATOM 1410 CB ALA A 92 -4.979 5.224 6.408 1.00 0.00 C ATOM 0 H ALA A 92 -5.670 7.180 5.281 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.763 5.844 7.510 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.729 4.410 7.088 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.540 4.830 5.561 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.062 5.691 6.049 1.00 0.00 H new ATOM 1416 N SER A 93 -4.850 5.900 9.375 1.00 0.00 N ATOM 1417 CA SER A 93 -4.062 6.254 10.546 1.00 0.00 C ATOM 1418 C SER A 93 -3.603 4.985 11.263 1.00 0.00 C ATOM 1419 O SER A 93 -4.315 3.977 11.247 1.00 0.00 O ATOM 1420 CB SER A 93 -4.893 7.159 11.478 1.00 0.00 C ATOM 1421 OG SER A 93 -6.249 6.746 11.578 1.00 0.00 O ATOM 0 H SER A 93 -5.208 4.945 9.387 1.00 0.00 H new ATOM 0 HA SER A 93 -3.174 6.808 10.240 1.00 0.00 H new ATOM 0 HB2 SER A 93 -4.444 7.161 12.471 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.856 8.184 11.110 1.00 0.00 H new ATOM 0 HG SER A 93 -6.731 7.350 12.180 1.00 0.00 H new ATOM 1427 N GLY A 94 -2.429 5.060 11.894 1.00 0.00 N ATOM 1428 CA GLY A 94 -1.887 3.996 12.736 1.00 0.00 C ATOM 1429 C GLY A 94 -0.606 3.391 12.166 1.00 0.00 C ATOM 1430 O GLY A 94 0.075 3.993 11.331 1.00 0.00 O ATOM 0 H GLY A 94 -1.820 5.876 11.832 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -1.686 4.392 13.731 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.635 3.212 12.851 1.00 0.00 H new ATOM 1434 N THR A 95 -0.232 2.219 12.671 1.00 0.00 N ATOM 1435 CA THR A 95 0.884 1.431 12.160 1.00 0.00 C ATOM 1436 C THR A 95 0.437 0.636 10.923 1.00 0.00 C ATOM 1437 O THR A 95 -0.747 0.644 10.581 1.00 0.00 O ATOM 1438 CB THR A 95 1.380 0.522 13.301 1.00 0.00 C ATOM 1439 OG1 THR A 95 0.331 -0.327 13.723 1.00 0.00 O ATOM 1440 CG2 THR A 95 1.854 1.328 14.517 1.00 0.00 C ATOM 0 H THR A 95 -0.706 1.783 13.462 1.00 0.00 H new ATOM 0 HA THR A 95 1.708 2.068 11.839 1.00 0.00 H new ATOM 0 HB THR A 95 2.221 -0.052 12.910 1.00 0.00 H new ATOM 0 HG1 THR A 95 0.649 -0.905 14.447 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.194 0.645 15.296 1.00 0.00 H new ATOM 0 HG22 THR A 95 2.675 1.981 14.223 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.030 1.931 14.898 1.00 0.00 H new ATOM 1448 N VAL A 96 1.345 -0.068 10.243 1.00 0.00 N ATOM 1449 CA VAL A 96 1.011 -0.840 9.052 1.00 0.00 C ATOM 1450 C VAL A 96 0.060 -1.963 9.419 1.00 0.00 C ATOM 1451 O VAL A 96 -0.996 -2.064 8.802 1.00 0.00 O ATOM 1452 CB VAL A 96 2.286 -1.360 8.357 1.00 0.00 C ATOM 1453 CG1 VAL A 96 2.096 -2.624 7.508 1.00 0.00 C ATOM 1454 CG2 VAL A 96 2.823 -0.258 7.467 1.00 0.00 C ATOM 0 H VAL A 96 2.330 -0.117 10.505 1.00 0.00 H new ATOM 0 HA VAL A 96 0.505 -0.194 8.335 1.00 0.00 H new ATOM 0 HB VAL A 96 2.975 -1.638 9.155 1.00 0.00 H new ATOM 0 HG11 VAL A 96 3.049 -2.909 7.062 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.733 -3.435 8.139 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.371 -2.427 6.719 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.726 -0.604 6.964 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.072 0.007 6.722 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.057 0.617 8.073 1.00 0.00 H new ATOM 1464 N GLU A 97 0.428 -2.810 10.384 1.00 0.00 N ATOM 1465 CA GLU A 97 -0.415 -3.956 10.740 1.00 0.00 C ATOM 1466 C GLU A 97 -1.825 -3.470 11.107 1.00 0.00 C ATOM 1467 O GLU A 97 -2.821 -4.085 10.729 1.00 0.00 O ATOM 1468 CB GLU A 97 0.179 -4.859 11.836 1.00 0.00 C ATOM 1469 CG GLU A 97 0.766 -4.104 13.033 1.00 0.00 C ATOM 1470 CD GLU A 97 1.409 -5.004 14.100 1.00 0.00 C ATOM 1471 OE1 GLU A 97 2.120 -5.982 13.766 1.00 0.00 O ATOM 1472 OE2 GLU A 97 1.278 -4.682 15.305 1.00 0.00 O ATOM 0 H GLU A 97 1.289 -2.728 10.925 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.468 -4.593 9.857 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -0.599 -5.534 12.194 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.960 -5.478 11.395 1.00 0.00 H new ATOM 0 HG2 GLU A 97 1.515 -3.400 12.671 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -0.025 -3.517 13.500 1.00 0.00 H new ATOM 1479 N GLU A 98 -1.918 -2.332 11.787 1.00 0.00 N ATOM 1480 CA GLU A 98 -3.175 -1.767 12.232 1.00 0.00 C ATOM 1481 C GLU A 98 -3.976 -1.231 11.052 1.00 0.00 C ATOM 1482 O GLU A 98 -5.137 -1.592 10.912 1.00 0.00 O ATOM 1483 CB GLU A 98 -2.884 -0.707 13.290 1.00 0.00 C ATOM 1484 CG GLU A 98 -4.131 -0.331 14.090 1.00 0.00 C ATOM 1485 CD GLU A 98 -3.694 0.319 15.397 1.00 0.00 C ATOM 1486 OE1 GLU A 98 -3.174 -0.410 16.278 1.00 0.00 O ATOM 1487 OE2 GLU A 98 -3.854 1.552 15.542 1.00 0.00 O ATOM 0 H GLU A 98 -1.106 -1.772 12.046 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.799 -2.536 12.687 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.116 -1.076 13.970 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -2.482 0.184 12.808 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -4.755 0.355 13.517 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.733 -1.217 14.291 1.00 0.00 H new ATOM 1494 N VAL A 99 -3.382 -0.420 10.174 1.00 0.00 N ATOM 1495 CA VAL A 99 -4.014 0.102 8.971 1.00 0.00 C ATOM 1496 C VAL A 99 -4.504 -1.048 8.078 1.00 0.00 C ATOM 1497 O VAL A 99 -5.598 -0.968 7.510 1.00 0.00 O ATOM 1498 CB VAL A 99 -2.985 1.014 8.264 1.00 0.00 C ATOM 1499 CG1 VAL A 99 -3.371 1.370 6.841 1.00 0.00 C ATOM 1500 CG2 VAL A 99 -2.826 2.363 8.979 1.00 0.00 C ATOM 0 H VAL A 99 -2.420 -0.102 10.288 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.900 0.689 9.212 1.00 0.00 H new ATOM 0 HB VAL A 99 -2.068 0.426 8.281 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.605 2.011 6.406 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.460 0.459 6.249 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.326 1.896 6.844 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.094 2.972 8.449 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -3.785 2.881 8.996 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.486 2.195 10.001 1.00 0.00 H new ATOM 1510 N VAL A 100 -3.715 -2.118 7.954 1.00 0.00 N ATOM 1511 CA VAL A 100 -4.088 -3.323 7.228 1.00 0.00 C ATOM 1512 C VAL A 100 -5.347 -3.872 7.881 1.00 0.00 C ATOM 1513 O VAL A 100 -6.321 -4.127 7.171 1.00 0.00 O ATOM 1514 CB VAL A 100 -2.904 -4.322 7.230 1.00 0.00 C ATOM 1515 CG1 VAL A 100 -3.246 -5.773 6.852 1.00 0.00 C ATOM 1516 CG2 VAL A 100 -1.814 -3.864 6.258 1.00 0.00 C ATOM 0 H VAL A 100 -2.783 -2.167 8.365 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.306 -3.122 6.179 1.00 0.00 H new ATOM 0 HB VAL A 100 -2.580 -4.323 8.271 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.342 -6.381 6.887 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.978 -6.170 7.556 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.661 -5.798 5.845 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.990 -4.578 6.273 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.226 -3.806 5.251 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.448 -2.882 6.558 1.00 0.00 H new ATOM 1526 N ASN A 101 -5.351 -4.061 9.205 1.00 0.00 N ATOM 1527 CA ASN A 101 -6.527 -4.609 9.866 1.00 0.00 C ATOM 1528 C ASN A 101 -7.732 -3.690 9.690 1.00 0.00 C ATOM 1529 O ASN A 101 -8.798 -4.188 9.342 1.00 0.00 O ATOM 1530 CB ASN A 101 -6.290 -4.877 11.350 1.00 0.00 C ATOM 1531 CG ASN A 101 -7.539 -5.545 11.922 1.00 0.00 C ATOM 1532 OD1 ASN A 101 -8.510 -4.884 12.282 1.00 0.00 O ATOM 1533 ND2 ASN A 101 -7.584 -6.865 11.927 1.00 0.00 N ATOM 0 H ASN A 101 -4.569 -3.846 9.824 1.00 0.00 H new ATOM 0 HA ASN A 101 -6.733 -5.566 9.386 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -5.420 -5.519 11.486 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -6.083 -3.945 11.876 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -8.431 -7.345 12.232 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -6.772 -7.404 11.626 1.00 0.00 H new ATOM 1540 N GLN A 102 -7.582 -2.372 9.867 1.00 0.00 N ATOM 1541 CA GLN A 102 -8.680 -1.423 9.721 1.00 0.00 C ATOM 1542 C GLN A 102 -9.367 -1.605 8.367 1.00 0.00 C ATOM 1543 O GLN A 102 -10.591 -1.532 8.288 1.00 0.00 O ATOM 1544 CB GLN A 102 -8.223 0.039 9.897 1.00 0.00 C ATOM 1545 CG GLN A 102 -7.728 0.417 11.301 1.00 0.00 C ATOM 1546 CD GLN A 102 -8.011 1.882 11.626 1.00 0.00 C ATOM 1547 OE1 GLN A 102 -9.168 2.311 11.642 1.00 0.00 O ATOM 1548 NE2 GLN A 102 -6.995 2.687 11.892 1.00 0.00 N ATOM 0 H GLN A 102 -6.693 -1.938 10.116 1.00 0.00 H new ATOM 0 HA GLN A 102 -9.393 -1.635 10.518 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -7.423 0.239 9.184 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -9.054 0.694 9.636 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -8.213 -0.220 12.041 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -6.657 0.229 11.372 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -6.041 2.326 11.877 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -7.166 3.668 12.112 1.00 0.00 H new ATOM 1557 N TYR A 103 -8.611 -1.859 7.301 1.00 0.00 N ATOM 1558 CA TYR A 103 -9.179 -2.100 5.987 1.00 0.00 C ATOM 1559 C TYR A 103 -9.791 -3.485 5.832 1.00 0.00 C ATOM 1560 O TYR A 103 -10.873 -3.605 5.260 1.00 0.00 O ATOM 1561 CB TYR A 103 -8.112 -1.839 4.938 1.00 0.00 C ATOM 1562 CG TYR A 103 -8.543 -2.305 3.568 1.00 0.00 C ATOM 1563 CD1 TYR A 103 -9.615 -1.646 2.938 1.00 0.00 C ATOM 1564 CD2 TYR A 103 -7.994 -3.478 3.009 1.00 0.00 C ATOM 1565 CE1 TYR A 103 -10.135 -2.155 1.738 1.00 0.00 C ATOM 1566 CE2 TYR A 103 -8.540 -4.010 1.830 1.00 0.00 C ATOM 1567 CZ TYR A 103 -9.602 -3.334 1.177 1.00 0.00 C ATOM 1568 OH TYR A 103 -10.094 -3.747 -0.022 1.00 0.00 O ATOM 0 H TYR A 103 -7.592 -1.902 7.329 1.00 0.00 H new ATOM 0 HA TYR A 103 -10.012 -1.411 5.851 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -7.889 -0.773 4.905 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -7.191 -2.349 5.222 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -10.036 -0.753 3.376 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -7.157 -3.965 3.486 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -10.946 -1.642 1.242 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -8.152 -4.932 1.421 1.00 0.00 H new ATOM 0 HH TYR A 103 -9.640 -4.571 -0.296 1.00 0.00 H new ATOM 1578 N LEU A 104 -9.133 -4.533 6.316 1.00 0.00 N ATOM 1579 CA LEU A 104 -9.637 -5.889 6.269 1.00 0.00 C ATOM 1580 C LEU A 104 -10.931 -6.007 7.070 1.00 0.00 C ATOM 1581 O LEU A 104 -11.782 -6.825 6.732 1.00 0.00 O ATOM 1582 CB LEU A 104 -8.566 -6.846 6.825 1.00 0.00 C ATOM 1583 CG LEU A 104 -7.645 -7.327 5.699 1.00 0.00 C ATOM 1584 CD1 LEU A 104 -6.642 -6.323 5.155 1.00 0.00 C ATOM 1585 CD2 LEU A 104 -6.848 -8.562 6.113 1.00 0.00 C ATOM 0 H LEU A 104 -8.218 -4.456 6.759 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.857 -6.157 5.236 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.980 -6.340 7.592 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.045 -7.701 7.302 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.360 -7.531 4.902 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -6.053 -6.789 4.365 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.173 -5.460 4.752 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.980 -5.999 5.958 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.206 -8.874 5.289 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.234 -8.324 6.981 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.534 -9.371 6.364 1.00 0.00 H new ATOM 1597 N SER A 105 -11.090 -5.170 8.091 1.00 0.00 N ATOM 1598 CA SER A 105 -12.296 -5.073 8.890 1.00 0.00 C ATOM 1599 C SER A 105 -13.336 -4.221 8.159 1.00 0.00 C ATOM 1600 O SER A 105 -14.516 -4.567 8.137 1.00 0.00 O ATOM 1601 CB SER A 105 -11.902 -4.528 10.267 1.00 0.00 C ATOM 1602 OG SER A 105 -11.045 -5.470 10.900 1.00 0.00 O ATOM 0 H SER A 105 -10.359 -4.524 8.390 1.00 0.00 H new ATOM 0 HA SER A 105 -12.766 -6.045 9.040 1.00 0.00 H new ATOM 0 HB2 SER A 105 -11.397 -3.567 10.163 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.791 -4.357 10.875 1.00 0.00 H new ATOM 0 HG SER A 105 -10.270 -5.005 11.279 1.00 0.00 H new ATOM 1608 N GLY A 106 -12.899 -3.164 7.470 1.00 0.00 N ATOM 1609 CA GLY A 106 -13.750 -2.316 6.646 1.00 0.00 C ATOM 1610 C GLY A 106 -13.950 -0.924 7.233 1.00 0.00 C ATOM 1611 O GLY A 106 -14.782 -0.171 6.719 1.00 0.00 O ATOM 0 H GLY A 106 -11.922 -2.871 7.473 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -13.311 -2.226 5.653 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -14.721 -2.795 6.523 1.00 0.00 H new ATOM 1615 N GLN A 107 -13.191 -0.562 8.271 1.00 0.00 N ATOM 1616 CA GLN A 107 -13.224 0.779 8.854 1.00 0.00 C ATOM 1617 C GLN A 107 -12.789 1.790 7.785 1.00 0.00 C ATOM 1618 O GLN A 107 -13.393 2.856 7.636 1.00 0.00 O ATOM 1619 CB GLN A 107 -12.272 0.864 10.064 1.00 0.00 C ATOM 1620 CG GLN A 107 -12.600 -0.050 11.255 1.00 0.00 C ATOM 1621 CD GLN A 107 -13.681 0.544 12.159 1.00 0.00 C ATOM 1622 OE1 GLN A 107 -14.824 0.711 11.750 1.00 0.00 O ATOM 1623 NE2 GLN A 107 -13.350 0.897 13.390 1.00 0.00 N ATOM 0 H GLN A 107 -12.535 -1.194 8.731 1.00 0.00 H new ATOM 0 HA GLN A 107 -14.235 1.001 9.194 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -11.263 0.632 9.722 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -12.259 1.895 10.417 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -12.931 -1.021 10.885 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -11.695 -0.222 11.838 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -12.396 0.754 13.722 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -14.048 1.312 14.007 1.00 0.00 H new ATOM 1632 N LEU A 108 -11.724 1.441 7.055 1.00 0.00 N ATOM 1633 CA LEU A 108 -11.060 2.295 6.081 1.00 0.00 C ATOM 1634 C LEU A 108 -11.983 2.579 4.896 1.00 0.00 C ATOM 1635 O LEU A 108 -12.616 1.675 4.343 1.00 0.00 O ATOM 1636 CB LEU A 108 -9.769 1.615 5.577 1.00 0.00 C ATOM 1637 CG LEU A 108 -8.414 2.301 5.840 1.00 0.00 C ATOM 1638 CD1 LEU A 108 -8.473 3.815 5.967 1.00 0.00 C ATOM 1639 CD2 LEU A 108 -7.746 1.781 7.100 1.00 0.00 C ATOM 0 H LEU A 108 -11.290 0.521 7.134 1.00 0.00 H new ATOM 0 HA LEU A 108 -10.809 3.238 6.566 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -9.726 0.620 6.020 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.867 1.480 4.500 1.00 0.00 H new ATOM 0 HG LEU A 108 -7.840 2.051 4.948 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -7.472 4.204 6.151 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -8.865 4.243 5.044 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -9.125 4.085 6.797 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -6.795 2.293 7.245 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -8.392 1.967 7.958 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -7.571 0.710 7.003 1.00 0.00 H new ATOM 1651 N LYS A 109 -11.989 3.831 4.444 1.00 0.00 N ATOM 1652 CA LYS A 109 -12.937 4.355 3.471 1.00 0.00 C ATOM 1653 C LYS A 109 -12.273 4.764 2.169 1.00 0.00 C ATOM 1654 O LYS A 109 -11.147 5.258 2.127 1.00 0.00 O ATOM 1655 CB LYS A 109 -13.726 5.526 4.101 1.00 0.00 C ATOM 1656 CG LYS A 109 -15.195 5.543 3.658 1.00 0.00 C ATOM 1657 CD LYS A 109 -15.929 4.353 4.301 1.00 0.00 C ATOM 1658 CE LYS A 109 -17.261 4.013 3.652 1.00 0.00 C ATOM 1659 NZ LYS A 109 -18.369 4.877 4.106 1.00 0.00 N ATOM 0 H LYS A 109 -11.313 4.528 4.756 1.00 0.00 H new ATOM 0 HA LYS A 109 -13.630 3.555 3.210 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -13.677 5.451 5.187 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -13.255 6.469 3.825 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -15.666 6.480 3.954 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -15.261 5.483 2.572 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -15.283 3.476 4.257 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -16.098 4.572 5.355 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -17.162 4.099 2.570 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -17.508 2.974 3.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -19.248 4.595 3.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -18.488 4.778 5.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -18.153 5.868 3.876 1.00 0.00 H new ATOM 1673 N ASP A 110 -13.019 4.627 1.089 1.00 0.00 N ATOM 1674 CA ASP A 110 -12.605 4.736 -0.298 1.00 0.00 C ATOM 1675 C ASP A 110 -13.455 5.840 -0.915 1.00 0.00 C ATOM 1676 O ASP A 110 -14.152 5.637 -1.905 1.00 0.00 O ATOM 1677 CB ASP A 110 -12.639 3.396 -1.087 1.00 0.00 C ATOM 1678 CG ASP A 110 -13.692 2.337 -0.749 1.00 0.00 C ATOM 1679 OD1 ASP A 110 -14.246 2.314 0.376 1.00 0.00 O ATOM 1680 OD2 ASP A 110 -13.854 1.406 -1.565 1.00 0.00 O ATOM 0 H ASP A 110 -14.015 4.419 1.166 1.00 0.00 H new ATOM 0 HA ASP A 110 -11.548 4.995 -0.351 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -12.755 3.644 -2.142 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -11.661 2.928 -0.975 1.00 0.00 H new ATOM 1685 N SER A 111 -13.364 7.043 -0.331 1.00 0.00 N ATOM 1686 CA SER A 111 -13.722 8.257 -1.046 1.00 0.00 C ATOM 1687 C SER A 111 -12.843 8.342 -2.297 1.00 0.00 C ATOM 1688 O SER A 111 -11.675 7.961 -2.217 1.00 0.00 O ATOM 1689 CB SER A 111 -13.429 9.485 -0.179 1.00 0.00 C ATOM 1690 OG SER A 111 -14.146 10.638 -0.597 1.00 0.00 O ATOM 0 H SER A 111 -13.047 7.192 0.627 1.00 0.00 H new ATOM 0 HA SER A 111 -14.782 8.234 -1.299 1.00 0.00 H new ATOM 0 HB2 SER A 111 -13.682 9.261 0.857 1.00 0.00 H new ATOM 0 HB3 SER A 111 -12.360 9.697 -0.207 1.00 0.00 H new ATOM 0 HG SER A 111 -14.021 10.770 -1.560 1.00 0.00 H new ATOM 1696 N ASP A 112 -13.339 8.952 -3.363 1.00 0.00 N ATOM 1697 CA ASP A 112 -12.567 9.693 -4.360 1.00 0.00 C ATOM 1698 C ASP A 112 -13.050 11.130 -4.252 1.00 0.00 C ATOM 1699 O ASP A 112 -14.031 11.419 -3.554 1.00 0.00 O ATOM 1700 CB ASP A 112 -12.849 9.143 -5.767 1.00 0.00 C ATOM 1701 CG ASP A 112 -11.980 7.971 -6.221 1.00 0.00 C ATOM 1702 OD1 ASP A 112 -10.969 7.647 -5.568 1.00 0.00 O ATOM 1703 OD2 ASP A 112 -12.344 7.388 -7.282 1.00 0.00 O ATOM 0 H ASP A 112 -14.338 8.946 -3.570 1.00 0.00 H new ATOM 0 HA ASP A 112 -11.494 9.609 -4.190 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -13.893 8.832 -5.810 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -12.729 9.956 -6.483 1.00 0.00 H new ATOM 1708 N TYR A 113 -12.349 12.039 -4.917 1.00 0.00 N ATOM 1709 CA TYR A 113 -12.619 13.470 -4.881 1.00 0.00 C ATOM 1710 C TYR A 113 -12.450 14.153 -6.234 1.00 0.00 C ATOM 1711 O TYR A 113 -12.407 15.387 -6.321 1.00 0.00 O ATOM 1712 CB TYR A 113 -11.585 14.148 -3.983 1.00 0.00 C ATOM 1713 CG TYR A 113 -11.044 13.336 -2.855 1.00 0.00 C ATOM 1714 CD1 TYR A 113 -11.735 13.280 -1.646 1.00 0.00 C ATOM 1715 CD2 TYR A 113 -9.836 12.654 -3.037 1.00 0.00 C ATOM 1716 CE1 TYR A 113 -11.174 12.605 -0.566 1.00 0.00 C ATOM 1717 CE2 TYR A 113 -9.249 12.015 -1.937 1.00 0.00 C ATOM 1718 CZ TYR A 113 -9.903 12.018 -0.687 1.00 0.00 C ATOM 1719 OH TYR A 113 -9.279 11.541 0.417 1.00 0.00 O ATOM 0 H TYR A 113 -11.557 11.795 -5.511 1.00 0.00 H new ATOM 0 HA TYR A 113 -13.649 13.566 -4.538 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -10.749 14.465 -4.606 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -12.034 15.051 -3.568 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -12.699 13.757 -1.548 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -9.364 12.621 -4.008 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -11.716 12.532 0.365 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -8.295 11.520 -2.046 1.00 0.00 H new ATOM 0 HH TYR A 113 -9.948 11.239 1.066 1.00 0.00 H new ATOM 1729 N GLU A 114 -12.339 13.370 -7.291 1.00 0.00 N ATOM 1730 CA GLU A 114 -11.644 13.867 -8.481 1.00 0.00 C ATOM 1731 C GLU A 114 -12.654 14.459 -9.475 1.00 0.00 C ATOM 1732 O GLU A 114 -13.864 14.419 -9.225 1.00 0.00 O ATOM 1733 CB GLU A 114 -10.749 12.798 -9.125 1.00 0.00 C ATOM 1734 CG GLU A 114 -9.581 12.380 -8.217 1.00 0.00 C ATOM 1735 CD GLU A 114 -9.957 11.238 -7.300 1.00 0.00 C ATOM 1736 OE1 GLU A 114 -10.334 10.174 -7.815 1.00 0.00 O ATOM 1737 OE2 GLU A 114 -9.905 11.422 -6.066 1.00 0.00 O ATOM 0 H GLU A 114 -12.704 12.420 -7.359 1.00 0.00 H new ATOM 0 HA GLU A 114 -10.970 14.665 -8.169 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -11.351 11.921 -9.364 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -10.354 13.179 -10.067 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -8.731 12.086 -8.832 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -9.262 13.234 -7.620 1.00 0.00 H new ATOM 1744 N VAL A 115 -12.155 15.032 -10.576 1.00 0.00 N ATOM 1745 CA VAL A 115 -12.961 15.601 -11.644 1.00 0.00 C ATOM 1746 C VAL A 115 -12.336 15.178 -12.974 1.00 0.00 C ATOM 1747 O VAL A 115 -11.105 15.143 -13.109 1.00 0.00 O ATOM 1748 CB VAL A 115 -13.024 17.138 -11.489 1.00 0.00 C ATOM 1749 CG1 VAL A 115 -13.844 17.788 -12.604 1.00 0.00 C ATOM 1750 CG2 VAL A 115 -13.657 17.572 -10.161 1.00 0.00 C ATOM 0 H VAL A 115 -11.152 15.111 -10.746 1.00 0.00 H new ATOM 0 HA VAL A 115 -13.988 15.238 -11.605 1.00 0.00 H new ATOM 0 HB VAL A 115 -11.985 17.465 -11.531 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -13.864 18.868 -12.459 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -13.391 17.560 -13.569 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -14.862 17.400 -12.580 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -13.676 18.660 -10.105 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -14.675 17.188 -10.101 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -13.070 17.176 -9.332 1.00 0.00 H new ATOM 1760 N HIS A 116 -13.190 14.917 -13.968 1.00 0.00 N ATOM 1761 CA HIS A 116 -12.814 14.854 -15.375 1.00 0.00 C ATOM 1762 C HIS A 116 -12.741 16.296 -15.891 1.00 0.00 C ATOM 1763 O HIS A 116 -13.749 16.821 -16.368 1.00 0.00 O ATOM 1764 CB HIS A 116 -13.869 14.039 -16.145 1.00 0.00 C ATOM 1765 CG HIS A 116 -13.931 12.562 -15.819 1.00 0.00 C ATOM 1766 ND1 HIS A 116 -14.149 11.984 -14.575 1.00 0.00 N ATOM 1767 CD2 HIS A 116 -13.873 11.556 -16.745 1.00 0.00 C ATOM 1768 CE1 HIS A 116 -14.233 10.652 -14.756 1.00 0.00 C ATOM 1769 NE2 HIS A 116 -14.066 10.370 -16.063 1.00 0.00 N ATOM 0 H HIS A 116 -14.182 14.741 -13.809 1.00 0.00 H new ATOM 0 HA HIS A 116 -11.850 14.365 -15.513 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -14.849 14.475 -15.952 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -13.676 14.148 -17.212 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -13.708 11.668 -17.806 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -14.407 9.925 -13.977 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -14.080 9.439 -16.479 1.00 0.00 H new ATOM 1778 N ASP A 117 -11.584 16.960 -15.783 1.00 0.00 N ATOM 1779 CA ASP A 117 -11.348 18.387 -16.081 1.00 0.00 C ATOM 1780 C ASP A 117 -12.235 19.329 -15.251 1.00 0.00 C ATOM 1781 O ASP A 117 -11.771 19.961 -14.300 1.00 0.00 O ATOM 1782 CB ASP A 117 -11.453 18.671 -17.598 1.00 0.00 C ATOM 1783 CG ASP A 117 -11.829 20.128 -17.902 1.00 0.00 C ATOM 1784 OD1 ASP A 117 -11.013 21.028 -17.609 1.00 0.00 O ATOM 1785 OD2 ASP A 117 -12.983 20.372 -18.328 1.00 0.00 O ATOM 0 H ASP A 117 -10.734 16.492 -15.467 1.00 0.00 H new ATOM 0 HA ASP A 117 -10.324 18.603 -15.777 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -10.500 18.439 -18.074 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -12.199 18.008 -18.037 1.00 0.00 H new ATOM 1790 N HIS A 118 -13.511 19.435 -15.620 1.00 0.00 N ATOM 1791 CA HIS A 118 -14.512 20.400 -15.191 1.00 0.00 C ATOM 1792 C HIS A 118 -15.755 20.142 -16.025 1.00 0.00 C ATOM 1793 O HIS A 118 -16.799 19.796 -15.463 1.00 0.00 O ATOM 1794 CB HIS A 118 -14.024 21.856 -15.352 1.00 0.00 C ATOM 1795 CG HIS A 118 -13.880 22.513 -14.010 1.00 0.00 C ATOM 1796 ND1 HIS A 118 -12.933 22.175 -13.064 1.00 0.00 N ATOM 1797 CD2 HIS A 118 -14.783 23.365 -13.442 1.00 0.00 C ATOM 1798 CE1 HIS A 118 -13.264 22.813 -11.924 1.00 0.00 C ATOM 1799 NE2 HIS A 118 -14.376 23.549 -12.136 1.00 0.00 N ATOM 0 H HIS A 118 -13.905 18.779 -16.295 1.00 0.00 H new ATOM 0 HA HIS A 118 -14.720 20.277 -14.128 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -13.068 21.870 -15.875 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -14.730 22.417 -15.964 1.00 0.00 H new ATOM 0 HD1 HIS A 118 -12.133 21.558 -13.202 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -15.645 23.807 -13.920 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -12.726 22.746 -10.990 1.00 0.00 H new ATOM 1808 N HIS A 119 -15.633 20.240 -17.354 1.00 0.00 N ATOM 1809 CA HIS A 119 -16.688 19.840 -18.283 1.00 0.00 C ATOM 1810 C HIS A 119 -16.126 19.121 -19.513 1.00 0.00 C ATOM 1811 O HIS A 119 -16.660 18.080 -19.891 1.00 0.00 O ATOM 1812 CB HIS A 119 -17.604 21.034 -18.622 1.00 0.00 C ATOM 1813 CG HIS A 119 -17.030 22.112 -19.514 1.00 0.00 C ATOM 1814 ND1 HIS A 119 -16.203 23.161 -19.147 1.00 0.00 N ATOM 1815 CD2 HIS A 119 -17.391 22.320 -20.814 1.00 0.00 C ATOM 1816 CE1 HIS A 119 -16.031 23.949 -20.229 1.00 0.00 C ATOM 1817 NE2 HIS A 119 -16.743 23.449 -21.260 1.00 0.00 N ATOM 0 H HIS A 119 -14.796 20.600 -17.813 1.00 0.00 H new ATOM 0 HA HIS A 119 -17.320 19.102 -17.789 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -18.504 20.645 -19.098 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -17.914 21.499 -17.686 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -18.067 21.706 -21.391 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -15.420 24.839 -20.264 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -16.792 23.838 -22.202 1.00 0.00 H new ATOM 1826 N HIS A 120 -14.997 19.590 -20.057 1.00 0.00 N ATOM 1827 CA HIS A 120 -14.326 19.143 -21.275 1.00 0.00 C ATOM 1828 C HIS A 120 -15.291 18.927 -22.439 1.00 0.00 C ATOM 1829 O HIS A 120 -15.828 17.833 -22.624 1.00 0.00 O ATOM 1830 CB HIS A 120 -13.422 17.932 -21.014 1.00 0.00 C ATOM 1831 CG HIS A 120 -12.388 17.798 -22.098 1.00 0.00 C ATOM 1832 ND1 HIS A 120 -12.480 17.020 -23.242 1.00 0.00 N ATOM 1833 CD2 HIS A 120 -11.251 18.553 -22.173 1.00 0.00 C ATOM 1834 CE1 HIS A 120 -11.409 17.315 -24.006 1.00 0.00 C ATOM 1835 NE2 HIS A 120 -10.648 18.230 -23.370 1.00 0.00 N ATOM 0 H HIS A 120 -14.489 20.357 -19.616 1.00 0.00 H new ATOM 0 HA HIS A 120 -13.673 19.957 -21.590 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -12.931 18.040 -20.047 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -14.025 17.025 -20.965 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -10.896 19.262 -21.440 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -11.194 16.887 -24.974 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -9.771 18.619 -23.718 1.00 0.00 H new ATOM 1844 N HIS A 121 -15.444 19.957 -23.271 1.00 0.00 N ATOM 1845 CA HIS A 121 -16.513 20.143 -24.245 1.00 0.00 C ATOM 1846 C HIS A 121 -17.881 20.092 -23.558 1.00 0.00 C ATOM 1847 O HIS A 121 -18.036 19.686 -22.406 1.00 0.00 O ATOM 1848 CB HIS A 121 -16.349 19.175 -25.436 1.00 0.00 C ATOM 1849 CG HIS A 121 -17.343 19.348 -26.562 1.00 0.00 C ATOM 1850 ND1 HIS A 121 -17.743 20.539 -27.149 1.00 0.00 N ATOM 1851 CD2 HIS A 121 -18.034 18.332 -27.161 1.00 0.00 C ATOM 1852 CE1 HIS A 121 -18.681 20.250 -28.069 1.00 0.00 C ATOM 1853 NE2 HIS A 121 -18.867 18.914 -28.102 1.00 0.00 N ATOM 0 H HIS A 121 -14.781 20.732 -23.281 1.00 0.00 H new ATOM 0 HA HIS A 121 -16.445 21.140 -24.681 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -15.344 19.294 -25.841 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -16.424 18.153 -25.063 1.00 0.00 H new ATOM 0 HD1 HIS A 121 -17.389 21.469 -26.923 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -17.947 17.278 -26.942 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -19.201 20.971 -28.682 1.00 0.00 H new ATOM 1862 N GLU A 122 -18.872 20.635 -24.245 1.00 0.00 N ATOM 1863 CA GLU A 122 -20.165 21.015 -23.725 1.00 0.00 C ATOM 1864 C GLU A 122 -20.963 19.718 -23.673 1.00 0.00 C ATOM 1865 O GLU A 122 -21.529 19.264 -24.668 1.00 0.00 O ATOM 1866 CB GLU A 122 -20.749 22.130 -24.613 1.00 0.00 C ATOM 1867 CG GLU A 122 -19.977 23.472 -24.492 1.00 0.00 C ATOM 1868 CD GLU A 122 -18.459 23.368 -24.743 1.00 0.00 C ATOM 1869 OE1 GLU A 122 -18.080 22.818 -25.808 1.00 0.00 O ATOM 1870 OE2 GLU A 122 -17.681 23.583 -23.782 1.00 0.00 O ATOM 0 H GLU A 122 -18.785 20.832 -25.242 1.00 0.00 H new ATOM 0 HA GLU A 122 -20.156 21.448 -22.725 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -20.736 21.803 -25.653 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -21.792 22.292 -24.343 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -20.401 24.184 -25.200 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -20.139 23.880 -23.494 1.00 0.00 H new ATOM 1877 N HIS A 123 -20.841 19.039 -22.533 1.00 0.00 N ATOM 1878 CA HIS A 123 -21.232 17.658 -22.344 1.00 0.00 C ATOM 1879 C HIS A 123 -22.760 17.553 -22.347 1.00 0.00 C ATOM 1880 O HIS A 123 -23.394 17.656 -21.294 1.00 0.00 O ATOM 1881 CB HIS A 123 -20.575 17.139 -21.048 1.00 0.00 C ATOM 1882 CG HIS A 123 -20.420 15.646 -21.039 1.00 0.00 C ATOM 1883 ND1 HIS A 123 -19.226 14.951 -21.146 1.00 0.00 N ATOM 1884 CD2 HIS A 123 -21.445 14.745 -21.036 1.00 0.00 C ATOM 1885 CE1 HIS A 123 -19.528 13.643 -21.232 1.00 0.00 C ATOM 1886 NE2 HIS A 123 -20.865 13.504 -21.161 1.00 0.00 N ATOM 0 H HIS A 123 -20.452 19.459 -21.689 1.00 0.00 H new ATOM 0 HA HIS A 123 -20.884 17.025 -23.160 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -19.596 17.603 -20.930 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -21.177 17.444 -20.192 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -22.500 14.963 -20.952 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -18.816 12.838 -21.340 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -21.369 12.618 -21.195 1.00 0.00 H new ATOM 1895 N HIS A 124 -23.369 17.383 -23.520 1.00 0.00 N ATOM 1896 CA HIS A 124 -24.693 16.782 -23.590 1.00 0.00 C ATOM 1897 C HIS A 124 -24.538 15.322 -23.170 1.00 0.00 C ATOM 1898 O HIS A 124 -23.439 14.764 -23.379 1.00 0.00 O ATOM 1899 CB HIS A 124 -25.296 16.926 -25.000 1.00 0.00 C ATOM 1900 CG HIS A 124 -26.773 16.589 -25.073 1.00 0.00 C ATOM 1901 ND1 HIS A 124 -27.390 15.535 -24.425 1.00 0.00 N ATOM 1902 CD2 HIS A 124 -27.732 17.271 -25.773 1.00 0.00 C ATOM 1903 CE1 HIS A 124 -28.701 15.569 -24.727 1.00 0.00 C ATOM 1904 NE2 HIS A 124 -28.934 16.617 -25.548 1.00 0.00 N ATOM 0 H HIS A 124 -22.971 17.650 -24.420 1.00 0.00 H new ATOM 0 HA HIS A 124 -25.391 17.288 -22.923 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -25.149 17.950 -25.345 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -24.751 16.277 -25.686 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -27.581 18.149 -26.383 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -29.446 14.872 -24.371 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -29.839 16.882 -25.936 1.00 0.00 H new TER 1913 HIS A 124