USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 576 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 3 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 9 LYS NZ :NH3+ 162:sc= 1.28 (180deg=1.19) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 CYS SG : rot 180:sc= -0.162 USER MOD Single : A 24 MET CE :methyl 155:sc= -0.235 (180deg=-1) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN :FLIP amide:sc= -0.97 F(o=-1.5,f=-0.97) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -168:sc= -0.0016 (180deg=-0.151) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 71:sc= 1.01 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.302! C(o=-0.3!,f=-1.9!) USER MOD Single : A 65 ASN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 68 LYS NZ :NH3+ 166:sc= 1.2 (180deg=1.17) USER MOD Single : A 71 CYS SG : rot 41:sc= -3.81! USER MOD Single : A 72 HIS : no HE2:sc= 1.04 K(o=1,f=-4.1!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 54:sc= 0.486 USER MOD Single : A 85 SER OG : rot 40:sc= 0.86 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.669 32.301 2.153 1.00 4.52 N ATOM 2 CA MET A 1 2.133 31.611 3.377 1.00 24.43 C ATOM 3 C MET A 1 1.795 30.129 3.292 1.00 1.00 C ATOM 4 O MET A 1 0.661 29.725 3.544 1.00 33.45 O ATOM 5 CB MET A 1 1.495 32.242 4.622 1.00 63.33 C ATOM 6 CG MET A 1 1.999 31.663 5.936 1.00 65.24 C ATOM 7 SD MET A 1 1.340 32.532 7.373 1.00 42.23 S ATOM 8 CE MET A 1 2.126 31.627 8.706 1.00 74.44 C ATOM 0 H1 MET A 1 1.902 33.313 2.215 1.00 4.52 H new ATOM 0 H2 MET A 1 2.139 31.888 1.322 1.00 4.52 H new ATOM 0 H3 MET A 1 0.639 32.188 2.060 1.00 4.52 H new ATOM 0 HA MET A 1 3.214 31.720 3.459 1.00 24.43 H new ATOM 0 HB2 MET A 1 1.687 33.315 4.612 1.00 63.33 H new ATOM 0 HB3 MET A 1 0.414 32.111 4.570 1.00 63.33 H new ATOM 0 HG2 MET A 1 1.723 30.610 5.995 1.00 65.24 H new ATOM 0 HG3 MET A 1 3.088 31.709 5.956 1.00 65.24 H new ATOM 0 HE1 MET A 1 1.817 32.047 9.663 1.00 74.44 H new ATOM 0 HE2 MET A 1 1.831 30.579 8.658 1.00 74.44 H new ATOM 0 HE3 MET A 1 3.209 31.704 8.609 1.00 74.44 H new ATOM 15 N ASN A 2 2.775 29.320 2.923 1.00 5.42 N ATOM 16 CA ASN A 2 2.534 27.905 2.689 1.00 62.14 C ATOM 17 C ASN A 2 2.804 27.081 3.936 1.00 13.11 C ATOM 18 O ASN A 2 3.954 26.774 4.259 1.00 61.22 O ATOM 19 CB ASN A 2 3.382 27.381 1.527 1.00 62.42 C ATOM 20 CG ASN A 2 2.884 27.840 0.170 1.00 4.32 C ATOM 21 OD1 ASN A 2 2.359 28.946 0.015 1.00 22.43 O ATOM 22 ND2 ASN A 2 3.041 26.984 -0.827 1.00 12.32 N ATOM 0 H ASN A 2 3.740 29.617 2.780 1.00 5.42 H new ATOM 0 HA ASN A 2 1.481 27.802 2.427 1.00 62.14 H new ATOM 0 HB2 ASN A 2 4.412 27.711 1.660 1.00 62.42 H new ATOM 0 HB3 ASN A 2 3.391 26.291 1.554 1.00 62.42 H new ATOM 0 HD21 ASN A 2 2.723 27.229 -1.765 1.00 12.32 H new ATOM 0 HD22 ASN A 2 3.480 26.079 -0.658 1.00 12.32 H new ATOM 28 N ASN A 3 1.738 26.738 4.637 1.00 23.40 N ATOM 29 CA ASN A 3 1.821 25.828 5.769 1.00 33.41 C ATOM 30 C ASN A 3 1.284 24.463 5.362 1.00 63.34 C ATOM 31 O ASN A 3 0.269 24.001 5.886 1.00 64.33 O ATOM 32 CB ASN A 3 1.034 26.362 6.974 1.00 12.34 C ATOM 33 CG ASN A 3 1.738 27.495 7.702 1.00 72.22 C ATOM 34 OD1 ASN A 3 2.476 28.282 7.106 1.00 33.41 O ATOM 35 ND2 ASN A 3 1.518 27.584 9.007 1.00 40.24 N ATOM 0 H ASN A 3 0.797 27.078 4.441 1.00 23.40 H new ATOM 0 HA ASN A 3 2.867 25.741 6.064 1.00 33.41 H new ATOM 0 HB2 ASN A 3 0.058 26.709 6.636 1.00 12.34 H new ATOM 0 HB3 ASN A 3 0.857 25.545 7.674 1.00 12.34 H new ATOM 0 HD21 ASN A 3 1.966 28.322 9.551 1.00 40.24 H new ATOM 0 HD22 ASN A 3 0.901 26.915 9.467 1.00 40.24 H new ATOM 41 N GLN A 4 1.955 23.834 4.407 1.00 21.44 N ATOM 42 CA GLN A 4 1.515 22.552 3.884 1.00 42.15 C ATOM 43 C GLN A 4 2.225 21.408 4.597 1.00 52.35 C ATOM 44 O GLN A 4 3.006 21.629 5.526 1.00 1.44 O ATOM 45 CB GLN A 4 1.763 22.471 2.374 1.00 74.31 C ATOM 46 CG GLN A 4 1.080 23.576 1.582 1.00 74.31 C ATOM 47 CD GLN A 4 1.282 23.437 0.085 1.00 31.24 C ATOM 48 OE1 GLN A 4 2.287 22.892 -0.374 1.00 23.21 O ATOM 49 NE2 GLN A 4 0.339 23.950 -0.685 1.00 12.14 N ATOM 0 H GLN A 4 2.808 24.193 3.979 1.00 21.44 H new ATOM 0 HA GLN A 4 0.444 22.461 4.065 1.00 42.15 H new ATOM 0 HB2 GLN A 4 2.836 22.513 2.188 1.00 74.31 H new ATOM 0 HB3 GLN A 4 1.414 21.505 2.009 1.00 74.31 H new ATOM 0 HG2 GLN A 4 0.013 23.568 1.802 1.00 74.31 H new ATOM 0 HG3 GLN A 4 1.466 24.542 1.908 1.00 74.31 H new ATOM 0 HE21 GLN A 4 -0.478 24.393 -0.264 1.00 12.14 H new ATOM 0 HE22 GLN A 4 0.428 23.903 -1.700 1.00 12.14 H new ATOM 56 N VAL A 5 1.958 20.190 4.159 1.00 12.34 N ATOM 57 CA VAL A 5 2.504 19.015 4.811 1.00 64.45 C ATOM 58 C VAL A 5 3.479 18.283 3.907 1.00 21.30 C ATOM 59 O VAL A 5 3.510 18.494 2.694 1.00 41.15 O ATOM 60 CB VAL A 5 1.389 18.041 5.253 1.00 44.34 C ATOM 61 CG1 VAL A 5 0.496 18.693 6.295 1.00 21.14 C ATOM 62 CG2 VAL A 5 0.566 17.584 4.058 1.00 4.52 C ATOM 0 H VAL A 5 1.365 19.990 3.353 1.00 12.34 H new ATOM 0 HA VAL A 5 3.035 19.368 5.695 1.00 64.45 H new ATOM 0 HB VAL A 5 1.859 17.164 5.699 1.00 44.34 H new ATOM 0 HG11 VAL A 5 -0.284 17.993 6.595 1.00 21.14 H new ATOM 0 HG12 VAL A 5 1.092 18.967 7.165 1.00 21.14 H new ATOM 0 HG13 VAL A 5 0.038 19.588 5.873 1.00 21.14 H new ATOM 0 HG21 VAL A 5 -0.213 16.899 4.393 1.00 4.52 H new ATOM 0 HG22 VAL A 5 0.107 18.449 3.580 1.00 4.52 H new ATOM 0 HG23 VAL A 5 1.213 17.076 3.343 1.00 4.52 H new ATOM 72 N GLU A 6 4.268 17.425 4.522 1.00 61.44 N ATOM 73 CA GLU A 6 5.244 16.613 3.819 1.00 30.12 C ATOM 74 C GLU A 6 4.546 15.450 3.103 1.00 72.34 C ATOM 75 O GLU A 6 3.375 15.170 3.375 1.00 1.20 O ATOM 76 CB GLU A 6 6.271 16.104 4.834 1.00 44.52 C ATOM 77 CG GLU A 6 5.657 15.278 5.946 1.00 12.50 C ATOM 78 CD GLU A 6 6.613 15.045 7.097 1.00 51.45 C ATOM 79 OE1 GLU A 6 7.258 16.021 7.538 1.00 51.34 O ATOM 80 OE2 GLU A 6 6.698 13.899 7.583 1.00 72.51 O ATOM 0 H GLU A 6 4.251 17.270 5.530 1.00 61.44 H new ATOM 0 HA GLU A 6 5.754 17.206 3.060 1.00 30.12 H new ATOM 0 HB2 GLU A 6 7.018 15.503 4.315 1.00 44.52 H new ATOM 0 HB3 GLU A 6 6.794 16.956 5.270 1.00 44.52 H new ATOM 0 HG2 GLU A 6 4.764 15.782 6.317 1.00 12.50 H new ATOM 0 HG3 GLU A 6 5.337 14.316 5.545 1.00 12.50 H new ATOM 85 N PRO A 7 5.233 14.764 2.174 1.00 60.11 N ATOM 86 CA PRO A 7 4.637 13.661 1.425 1.00 72.33 C ATOM 87 C PRO A 7 4.468 12.420 2.285 1.00 13.33 C ATOM 88 O PRO A 7 5.308 12.115 3.139 1.00 33.31 O ATOM 89 CB PRO A 7 5.642 13.411 0.302 1.00 21.43 C ATOM 90 CG PRO A 7 6.944 13.824 0.885 1.00 15.00 C ATOM 91 CD PRO A 7 6.638 14.996 1.779 1.00 42.11 C ATOM 0 HA PRO A 7 3.636 13.897 1.064 1.00 72.33 H new ATOM 0 HB2 PRO A 7 5.653 12.363 0.003 1.00 21.43 H new ATOM 0 HB3 PRO A 7 5.400 13.994 -0.587 1.00 21.43 H new ATOM 0 HG2 PRO A 7 7.396 13.009 1.450 1.00 15.00 H new ATOM 0 HG3 PRO A 7 7.652 14.102 0.104 1.00 15.00 H new ATOM 0 HD2 PRO A 7 7.300 15.025 2.645 1.00 42.11 H new ATOM 0 HD3 PRO A 7 6.757 15.944 1.254 1.00 42.11 H new ATOM 96 N ARG A 8 3.381 11.707 2.056 1.00 0.23 N ATOM 97 CA ARG A 8 3.098 10.502 2.810 1.00 42.42 C ATOM 98 C ARG A 8 3.542 9.280 2.014 1.00 35.00 C ATOM 99 O ARG A 8 3.907 9.408 0.846 1.00 65.23 O ATOM 100 CB ARG A 8 1.611 10.436 3.157 1.00 32.22 C ATOM 101 CG ARG A 8 0.691 10.424 1.953 1.00 50.02 C ATOM 102 CD ARG A 8 -0.669 10.990 2.310 1.00 45.54 C ATOM 103 NE ARG A 8 -0.697 12.452 2.215 1.00 10.51 N ATOM 104 CZ ARG A 8 -1.779 13.200 2.442 1.00 44.55 C ATOM 105 NH1 ARG A 8 -2.901 12.648 2.880 1.00 55.31 N ATOM 106 NH2 ARG A 8 -1.737 14.511 2.241 1.00 1.31 N ATOM 0 H ARG A 8 2.680 11.942 1.353 1.00 0.23 H new ATOM 0 HA ARG A 8 3.656 10.517 3.746 1.00 42.42 H new ATOM 0 HB2 ARG A 8 1.427 9.540 3.749 1.00 32.22 H new ATOM 0 HB3 ARG A 8 1.358 11.290 3.785 1.00 32.22 H new ATOM 0 HG2 ARG A 8 1.133 11.009 1.146 1.00 50.02 H new ATOM 0 HG3 ARG A 8 0.580 9.404 1.584 1.00 50.02 H new ATOM 0 HD2 ARG A 8 -1.423 10.569 1.645 1.00 45.54 H new ATOM 0 HD3 ARG A 8 -0.933 10.687 3.323 1.00 45.54 H new ATOM 0 HE ARG A 8 0.167 12.929 1.959 1.00 10.51 H new ATOM 0 HH11 ARG A 8 -2.943 11.643 3.047 1.00 55.31 H new ATOM 0 HH12 ARG A 8 -3.722 13.228 3.050 1.00 55.31 H new ATOM 0 HH21 ARG A 8 -0.877 14.949 1.912 1.00 1.31 H new ATOM 0 HH22 ARG A 8 -2.565 15.080 2.415 1.00 1.31 H new ATOM 117 N LYS A 9 3.517 8.105 2.629 1.00 5.22 N ATOM 118 CA LYS A 9 4.045 6.916 1.978 1.00 33.15 C ATOM 119 C LYS A 9 3.118 5.715 2.155 1.00 30.55 C ATOM 120 O LYS A 9 2.361 5.633 3.126 1.00 44.35 O ATOM 121 CB LYS A 9 5.447 6.600 2.517 1.00 31.14 C ATOM 122 CG LYS A 9 6.058 5.341 1.929 1.00 75.31 C ATOM 123 CD LYS A 9 7.515 5.180 2.307 1.00 63.11 C ATOM 124 CE LYS A 9 8.086 3.933 1.664 1.00 74.34 C ATOM 125 NZ LYS A 9 9.523 3.728 1.988 1.00 41.31 N ATOM 0 H LYS A 9 3.142 7.951 3.565 1.00 5.22 H new ATOM 0 HA LYS A 9 4.111 7.120 0.909 1.00 33.15 H new ATOM 0 HB2 LYS A 9 6.105 7.444 2.309 1.00 31.14 H new ATOM 0 HB3 LYS A 9 5.395 6.496 3.601 1.00 31.14 H new ATOM 0 HG2 LYS A 9 5.497 4.472 2.274 1.00 75.31 H new ATOM 0 HG3 LYS A 9 5.967 5.369 0.843 1.00 75.31 H new ATOM 0 HD2 LYS A 9 8.080 6.055 1.987 1.00 63.11 H new ATOM 0 HD3 LYS A 9 7.613 5.117 3.391 1.00 63.11 H new ATOM 0 HE2 LYS A 9 7.516 3.065 1.994 1.00 74.34 H new ATOM 0 HE3 LYS A 9 7.967 4.000 0.583 1.00 74.34 H new ATOM 0 HZ1 LYS A 9 9.785 2.740 1.794 1.00 41.31 H new ATOM 0 HZ2 LYS A 9 10.105 4.362 1.403 1.00 41.31 H new ATOM 0 HZ3 LYS A 9 9.686 3.938 2.993 1.00 41.31 H new ATOM 135 N LEU A 10 3.184 4.798 1.195 1.00 44.12 N ATOM 136 CA LEU A 10 2.409 3.567 1.232 1.00 13.21 C ATOM 137 C LEU A 10 3.323 2.348 1.159 1.00 53.30 C ATOM 138 O LEU A 10 4.385 2.389 0.528 1.00 51.11 O ATOM 139 CB LEU A 10 1.428 3.529 0.063 1.00 21.51 C ATOM 140 CG LEU A 10 0.386 4.639 0.053 1.00 72.50 C ATOM 141 CD1 LEU A 10 -0.494 4.508 -1.175 1.00 72.44 C ATOM 142 CD2 LEU A 10 -0.445 4.597 1.327 1.00 63.44 C ATOM 0 H LEU A 10 3.777 4.889 0.370 1.00 44.12 H new ATOM 0 HA LEU A 10 1.860 3.542 2.173 1.00 13.21 H new ATOM 0 HB2 LEU A 10 1.994 3.576 -0.867 1.00 21.51 H new ATOM 0 HB3 LEU A 10 0.912 2.569 0.074 1.00 21.51 H new ATOM 0 HG LEU A 10 0.892 5.604 0.014 1.00 72.50 H new ATOM 0 HD11 LEU A 10 -1.238 5.305 -1.176 1.00 72.44 H new ATOM 0 HD12 LEU A 10 0.120 4.583 -2.072 1.00 72.44 H new ATOM 0 HD13 LEU A 10 -0.998 3.542 -1.160 1.00 72.44 H new ATOM 0 HD21 LEU A 10 -1.185 5.397 1.305 1.00 63.44 H new ATOM 0 HD22 LEU A 10 -0.952 3.635 1.399 1.00 63.44 H new ATOM 0 HD23 LEU A 10 0.206 4.729 2.191 1.00 63.44 H new ATOM 153 N VAL A 11 2.909 1.276 1.815 1.00 21.35 N ATOM 154 CA VAL A 11 3.620 0.009 1.758 1.00 31.43 C ATOM 155 C VAL A 11 2.692 -1.092 1.263 1.00 0.43 C ATOM 156 O VAL A 11 1.554 -1.197 1.714 1.00 1.14 O ATOM 157 CB VAL A 11 4.190 -0.409 3.136 1.00 42.44 C ATOM 158 CG1 VAL A 11 4.758 -1.817 3.074 1.00 43.45 C ATOM 159 CG2 VAL A 11 5.257 0.567 3.604 1.00 70.22 C ATOM 0 H VAL A 11 2.074 1.259 2.400 1.00 21.35 H new ATOM 0 HA VAL A 11 4.453 0.148 1.069 1.00 31.43 H new ATOM 0 HB VAL A 11 3.372 -0.392 3.856 1.00 42.44 H new ATOM 0 HG11 VAL A 11 5.154 -2.093 4.051 1.00 43.45 H new ATOM 0 HG12 VAL A 11 3.970 -2.515 2.791 1.00 43.45 H new ATOM 0 HG13 VAL A 11 5.558 -1.854 2.335 1.00 43.45 H new ATOM 0 HG21 VAL A 11 5.640 0.250 4.574 1.00 70.22 H new ATOM 0 HG22 VAL A 11 6.073 0.589 2.881 1.00 70.22 H new ATOM 0 HG23 VAL A 11 4.825 1.564 3.693 1.00 70.22 H new ATOM 169 N VAL A 12 3.166 -1.894 0.328 1.00 53.51 N ATOM 170 CA VAL A 12 2.402 -3.032 -0.140 1.00 35.04 C ATOM 171 C VAL A 12 2.984 -4.328 0.421 1.00 65.15 C ATOM 172 O VAL A 12 4.122 -4.695 0.119 1.00 45.54 O ATOM 173 CB VAL A 12 2.370 -3.097 -1.679 1.00 44.12 C ATOM 174 CG1 VAL A 12 1.737 -4.397 -2.146 1.00 20.22 C ATOM 175 CG2 VAL A 12 1.619 -1.906 -2.250 1.00 33.31 C ATOM 0 H VAL A 12 4.075 -1.778 -0.121 1.00 53.51 H new ATOM 0 HA VAL A 12 1.379 -2.911 0.216 1.00 35.04 H new ATOM 0 HB VAL A 12 3.397 -3.063 -2.043 1.00 44.12 H new ATOM 0 HG11 VAL A 12 1.723 -4.424 -3.236 1.00 20.22 H new ATOM 0 HG12 VAL A 12 2.316 -5.240 -1.769 1.00 20.22 H new ATOM 0 HG13 VAL A 12 0.716 -4.461 -1.769 1.00 20.22 H new ATOM 0 HG21 VAL A 12 1.608 -1.971 -3.338 1.00 33.31 H new ATOM 0 HG22 VAL A 12 0.595 -1.908 -1.876 1.00 33.31 H new ATOM 0 HG23 VAL A 12 2.115 -0.984 -1.946 1.00 33.31 H new ATOM 185 N TYR A 13 2.207 -4.996 1.264 1.00 15.40 N ATOM 186 CA TYR A 13 2.607 -6.278 1.822 1.00 74.24 C ATOM 187 C TYR A 13 2.132 -7.409 0.924 1.00 65.35 C ATOM 188 O TYR A 13 0.931 -7.587 0.722 1.00 53.11 O ATOM 189 CB TYR A 13 2.031 -6.463 3.228 1.00 64.31 C ATOM 190 CG TYR A 13 2.560 -5.492 4.257 1.00 75.32 C ATOM 191 CD1 TYR A 13 3.890 -5.533 4.660 1.00 10.33 C ATOM 192 CD2 TYR A 13 1.730 -4.543 4.836 1.00 55.44 C ATOM 193 CE1 TYR A 13 4.377 -4.654 5.609 1.00 3.01 C ATOM 194 CE2 TYR A 13 2.208 -3.662 5.787 1.00 20.55 C ATOM 195 CZ TYR A 13 3.530 -3.722 6.170 1.00 52.01 C ATOM 196 OH TYR A 13 4.007 -2.846 7.121 1.00 43.31 O ATOM 0 H TYR A 13 1.293 -4.668 1.576 1.00 15.40 H new ATOM 0 HA TYR A 13 3.695 -6.297 1.885 1.00 74.24 H new ATOM 0 HB2 TYR A 13 0.947 -6.364 3.178 1.00 64.31 H new ATOM 0 HB3 TYR A 13 2.243 -7.478 3.563 1.00 64.31 H new ATOM 0 HD1 TYR A 13 4.554 -6.264 4.224 1.00 10.33 H new ATOM 0 HD2 TYR A 13 0.693 -4.492 4.538 1.00 55.44 H new ATOM 0 HE1 TYR A 13 5.414 -4.697 5.909 1.00 3.01 H new ATOM 0 HE2 TYR A 13 1.548 -2.930 6.228 1.00 20.55 H new ATOM 0 HH TYR A 13 3.283 -2.254 7.413 1.00 43.31 H new ATOM 205 N GLY A 14 3.067 -8.171 0.385 1.00 43.51 N ATOM 206 CA GLY A 14 2.704 -9.247 -0.510 1.00 60.40 C ATOM 207 C GLY A 14 3.557 -10.480 -0.311 1.00 74.15 C ATOM 208 O GLY A 14 4.613 -10.421 0.319 1.00 23.20 O ATOM 0 H GLY A 14 4.068 -8.065 0.550 1.00 43.51 H new ATOM 0 HA2 GLY A 14 1.656 -9.505 -0.356 1.00 60.40 H new ATOM 0 HA3 GLY A 14 2.800 -8.906 -1.541 1.00 60.40 H new ATOM 212 N ARG A 15 3.094 -11.602 -0.839 1.00 53.13 N ATOM 213 CA ARG A 15 3.849 -12.842 -0.779 1.00 13.41 C ATOM 214 C ARG A 15 3.527 -13.715 -1.987 1.00 32.54 C ATOM 215 O ARG A 15 2.389 -14.143 -2.164 1.00 11.22 O ATOM 216 CB ARG A 15 3.560 -13.600 0.524 1.00 31.31 C ATOM 217 CG ARG A 15 2.084 -13.886 0.762 1.00 10.34 C ATOM 218 CD ARG A 15 1.884 -14.924 1.851 1.00 1.14 C ATOM 219 NE ARG A 15 2.623 -16.148 1.551 1.00 23.31 N ATOM 220 CZ ARG A 15 2.076 -17.243 1.027 1.00 40.35 C ATOM 221 NH1 ARG A 15 0.756 -17.341 0.883 1.00 51.22 N ATOM 222 NH2 ARG A 15 2.859 -18.250 0.674 1.00 41.32 N ATOM 0 H ARG A 15 2.195 -11.679 -1.316 1.00 53.13 H new ATOM 0 HA ARG A 15 4.911 -12.596 -0.797 1.00 13.41 H new ATOM 0 HB2 ARG A 15 4.105 -14.544 0.511 1.00 31.31 H new ATOM 0 HB3 ARG A 15 3.947 -13.021 1.362 1.00 31.31 H new ATOM 0 HG2 ARG A 15 1.574 -12.963 1.040 1.00 10.34 H new ATOM 0 HG3 ARG A 15 1.627 -14.236 -0.163 1.00 10.34 H new ATOM 0 HD2 ARG A 15 2.215 -14.521 2.808 1.00 1.14 H new ATOM 0 HD3 ARG A 15 0.823 -15.151 1.951 1.00 1.14 H new ATOM 0 HE ARG A 15 3.622 -16.165 1.756 1.00 23.31 H new ATOM 0 HH11 ARG A 15 0.153 -16.572 1.175 1.00 51.22 H new ATOM 0 HH12 ARG A 15 0.348 -18.185 0.480 1.00 51.22 H new ATOM 0 HH21 ARG A 15 3.868 -18.181 0.805 1.00 41.32 H new ATOM 0 HH22 ARG A 15 2.453 -19.095 0.271 1.00 41.32 H new ATOM 233 N GLU A 16 4.532 -13.921 -2.835 1.00 43.31 N ATOM 234 CA GLU A 16 4.418 -14.785 -4.015 1.00 30.02 C ATOM 235 C GLU A 16 3.295 -14.344 -4.960 1.00 24.02 C ATOM 236 O GLU A 16 2.868 -15.102 -5.833 1.00 2.10 O ATOM 237 CB GLU A 16 4.224 -16.243 -3.590 1.00 71.04 C ATOM 238 CG GLU A 16 5.345 -16.765 -2.704 1.00 11.31 C ATOM 239 CD GLU A 16 5.308 -18.271 -2.546 1.00 22.15 C ATOM 240 OE1 GLU A 16 4.584 -18.768 -1.662 1.00 23.21 O ATOM 241 OE2 GLU A 16 6.010 -18.969 -3.311 1.00 51.40 O ATOM 0 H GLU A 16 5.452 -13.494 -2.726 1.00 43.31 H new ATOM 0 HA GLU A 16 5.351 -14.695 -4.571 1.00 30.02 H new ATOM 0 HB2 GLU A 16 3.277 -16.337 -3.059 1.00 71.04 H new ATOM 0 HB3 GLU A 16 4.153 -16.868 -4.480 1.00 71.04 H new ATOM 0 HG2 GLU A 16 6.305 -16.471 -3.128 1.00 11.31 H new ATOM 0 HG3 GLU A 16 5.274 -16.298 -1.722 1.00 11.31 H new ATOM 246 N GLY A 17 2.848 -13.104 -4.810 1.00 51.10 N ATOM 247 CA GLY A 17 1.788 -12.584 -5.651 1.00 21.51 C ATOM 248 C GLY A 17 2.322 -11.652 -6.713 1.00 61.30 C ATOM 249 O GLY A 17 2.017 -10.459 -6.713 1.00 44.33 O ATOM 0 H GLY A 17 3.203 -12.446 -4.117 1.00 51.10 H new ATOM 0 HA2 GLY A 17 1.261 -13.412 -6.125 1.00 21.51 H new ATOM 0 HA3 GLY A 17 1.061 -12.055 -5.035 1.00 21.51 H new ATOM 253 N CYS A 18 3.119 -12.203 -7.618 1.00 14.43 N ATOM 254 CA CYS A 18 3.781 -11.423 -8.654 1.00 13.54 C ATOM 255 C CYS A 18 2.770 -10.706 -9.546 1.00 21.41 C ATOM 256 O CYS A 18 2.891 -9.506 -9.788 1.00 11.34 O ATOM 257 CB CYS A 18 4.678 -12.331 -9.503 1.00 20.25 C ATOM 258 SG CYS A 18 5.623 -11.468 -10.778 1.00 13.31 S ATOM 0 H CYS A 18 3.325 -13.201 -7.655 1.00 14.43 H new ATOM 0 HA CYS A 18 4.392 -10.666 -8.164 1.00 13.54 H new ATOM 0 HB2 CYS A 18 5.372 -12.853 -8.845 1.00 20.25 H new ATOM 0 HB3 CYS A 18 4.058 -13.091 -9.979 1.00 20.25 H new ATOM 0 HG CYS A 18 6.348 -12.324 -11.435 1.00 13.31 H new ATOM 263 N HIS A 19 1.758 -11.436 -10.001 1.00 3.12 N ATOM 264 CA HIS A 19 0.787 -10.894 -10.943 1.00 4.52 C ATOM 265 C HIS A 19 -0.071 -9.824 -10.272 1.00 40.12 C ATOM 266 O HIS A 19 -0.257 -8.738 -10.818 1.00 62.44 O ATOM 267 CB HIS A 19 -0.097 -12.013 -11.504 1.00 4.14 C ATOM 268 CG HIS A 19 -0.996 -11.585 -12.625 1.00 34.11 C ATOM 269 ND1 HIS A 19 -2.199 -12.196 -12.894 1.00 3.55 N ATOM 270 CD2 HIS A 19 -0.855 -10.612 -13.558 1.00 2.15 C ATOM 271 CE1 HIS A 19 -2.758 -11.621 -13.941 1.00 2.12 C ATOM 272 NE2 HIS A 19 -1.964 -10.657 -14.366 1.00 71.11 N ATOM 0 H HIS A 19 1.589 -12.405 -9.732 1.00 3.12 H new ATOM 0 HA HIS A 19 1.329 -10.433 -11.769 1.00 4.52 H new ATOM 0 HB2 HIS A 19 0.542 -12.823 -11.855 1.00 4.14 H new ATOM 0 HB3 HIS A 19 -0.709 -12.416 -10.697 1.00 4.14 H new ATOM 0 HD2 HIS A 19 -0.024 -9.928 -13.649 1.00 2.15 H new ATOM 0 HE1 HIS A 19 -3.707 -11.894 -14.378 1.00 2.12 H new ATOM 0 HE2 HIS A 19 -2.144 -10.046 -15.163 1.00 71.11 H new ATOM 279 N LEU A 20 -0.572 -10.132 -9.083 1.00 70.31 N ATOM 280 CA LEU A 20 -1.415 -9.197 -8.337 1.00 21.04 C ATOM 281 C LEU A 20 -0.642 -7.935 -7.974 1.00 53.14 C ATOM 282 O LEU A 20 -1.197 -6.832 -7.979 1.00 31.21 O ATOM 283 CB LEU A 20 -1.965 -9.864 -7.073 1.00 43.23 C ATOM 284 CG LEU A 20 -3.489 -9.998 -7.024 1.00 43.32 C ATOM 285 CD1 LEU A 20 -4.144 -8.633 -6.903 1.00 1.02 C ATOM 286 CD2 LEU A 20 -3.995 -10.714 -8.265 1.00 12.20 C ATOM 0 H LEU A 20 -0.411 -11.022 -8.611 1.00 70.31 H new ATOM 0 HA LEU A 20 -2.251 -8.913 -8.976 1.00 21.04 H new ATOM 0 HB2 LEU A 20 -1.525 -10.857 -6.983 1.00 43.23 H new ATOM 0 HB3 LEU A 20 -1.638 -9.291 -6.206 1.00 43.23 H new ATOM 0 HG LEU A 20 -3.753 -10.586 -6.145 1.00 43.32 H new ATOM 0 HD11 LEU A 20 -5.227 -8.751 -6.870 1.00 1.02 H new ATOM 0 HD12 LEU A 20 -3.804 -8.146 -5.989 1.00 1.02 H new ATOM 0 HD13 LEU A 20 -3.872 -8.021 -7.763 1.00 1.02 H new ATOM 0 HD21 LEU A 20 -5.080 -10.802 -8.217 1.00 12.20 H new ATOM 0 HD22 LEU A 20 -3.716 -10.145 -9.152 1.00 12.20 H new ATOM 0 HD23 LEU A 20 -3.552 -11.709 -8.317 1.00 12.20 H new ATOM 297 N CYS A 21 0.640 -8.101 -7.670 1.00 53.50 N ATOM 298 CA CYS A 21 1.501 -6.972 -7.352 1.00 63.30 C ATOM 299 C CYS A 21 1.613 -6.042 -8.555 1.00 44.40 C ATOM 300 O CYS A 21 1.439 -4.832 -8.428 1.00 10.24 O ATOM 301 CB CYS A 21 2.890 -7.462 -6.926 1.00 50.00 C ATOM 302 SG CYS A 21 3.997 -6.155 -6.350 1.00 4.44 S ATOM 0 H CYS A 21 1.105 -9.008 -7.637 1.00 53.50 H new ATOM 0 HA CYS A 21 1.060 -6.420 -6.522 1.00 63.30 H new ATOM 0 HB2 CYS A 21 2.774 -8.200 -6.132 1.00 50.00 H new ATOM 0 HB3 CYS A 21 3.357 -7.972 -7.769 1.00 50.00 H new ATOM 0 HG CYS A 21 5.141 -6.672 -6.013 1.00 4.44 H new ATOM 307 N GLU A 22 1.875 -6.624 -9.725 1.00 31.32 N ATOM 308 CA GLU A 22 2.002 -5.854 -10.960 1.00 1.43 C ATOM 309 C GLU A 22 0.745 -5.033 -11.233 1.00 11.24 C ATOM 310 O GLU A 22 0.825 -3.858 -11.600 1.00 1.52 O ATOM 311 CB GLU A 22 2.266 -6.786 -12.145 1.00 2.42 C ATOM 312 CG GLU A 22 3.594 -7.518 -12.073 1.00 62.15 C ATOM 313 CD GLU A 22 4.780 -6.580 -12.103 1.00 53.21 C ATOM 314 OE1 GLU A 22 5.153 -6.128 -13.206 1.00 13.05 O ATOM 315 OE2 GLU A 22 5.354 -6.300 -11.031 1.00 30.11 O ATOM 0 H GLU A 22 2.004 -7.629 -9.843 1.00 31.32 H new ATOM 0 HA GLU A 22 2.844 -5.172 -10.837 1.00 1.43 H new ATOM 0 HB2 GLU A 22 1.462 -7.519 -12.203 1.00 2.42 H new ATOM 0 HB3 GLU A 22 2.234 -6.204 -13.066 1.00 2.42 H new ATOM 0 HG2 GLU A 22 3.628 -8.111 -11.159 1.00 62.15 H new ATOM 0 HG3 GLU A 22 3.666 -8.215 -12.908 1.00 62.15 H new ATOM 320 N GLU A 23 -0.409 -5.660 -11.043 1.00 0.21 N ATOM 321 CA GLU A 23 -1.685 -5.013 -11.311 1.00 35.40 C ATOM 322 C GLU A 23 -1.888 -3.805 -10.399 1.00 20.20 C ATOM 323 O GLU A 23 -2.242 -2.720 -10.863 1.00 74.33 O ATOM 324 CB GLU A 23 -2.832 -6.008 -11.133 1.00 3.44 C ATOM 325 CG GLU A 23 -2.697 -7.254 -11.995 1.00 40.04 C ATOM 326 CD GLU A 23 -2.498 -6.940 -13.464 1.00 13.11 C ATOM 327 OE1 GLU A 23 -1.335 -6.772 -13.895 1.00 31.33 O ATOM 328 OE2 GLU A 23 -3.501 -6.860 -14.200 1.00 25.43 O ATOM 0 H GLU A 23 -0.486 -6.619 -10.703 1.00 0.21 H new ATOM 0 HA GLU A 23 -1.677 -4.663 -12.343 1.00 35.40 H new ATOM 0 HB2 GLU A 23 -2.885 -6.305 -10.086 1.00 3.44 H new ATOM 0 HB3 GLU A 23 -3.773 -5.512 -11.371 1.00 3.44 H new ATOM 0 HG2 GLU A 23 -1.854 -7.846 -11.638 1.00 40.04 H new ATOM 0 HG3 GLU A 23 -3.590 -7.868 -11.878 1.00 40.04 H new ATOM 333 N MET A 24 -1.654 -3.988 -9.102 1.00 45.31 N ATOM 334 CA MET A 24 -1.807 -2.892 -8.152 1.00 51.21 C ATOM 335 C MET A 24 -0.755 -1.817 -8.380 1.00 34.40 C ATOM 336 O MET A 24 -1.050 -0.628 -8.266 1.00 32.24 O ATOM 337 CB MET A 24 -1.744 -3.371 -6.702 1.00 5.24 C ATOM 338 CG MET A 24 -2.954 -4.177 -6.268 1.00 72.21 C ATOM 339 SD MET A 24 -2.926 -4.568 -4.510 1.00 53.23 S ATOM 340 CE MET A 24 -2.944 -2.926 -3.780 1.00 3.42 C ATOM 0 H MET A 24 -1.361 -4.874 -8.689 1.00 45.31 H new ATOM 0 HA MET A 24 -2.796 -2.469 -8.326 1.00 51.21 H new ATOM 0 HB2 MET A 24 -0.848 -3.978 -6.569 1.00 5.24 H new ATOM 0 HB3 MET A 24 -1.643 -2.505 -6.048 1.00 5.24 H new ATOM 0 HG2 MET A 24 -3.861 -3.618 -6.498 1.00 72.21 H new ATOM 0 HG3 MET A 24 -2.995 -5.102 -6.842 1.00 72.21 H new ATOM 0 HE1 MET A 24 -3.365 -2.979 -2.776 1.00 3.42 H new ATOM 0 HE2 MET A 24 -1.926 -2.540 -3.727 1.00 3.42 H new ATOM 0 HE3 MET A 24 -3.552 -2.262 -4.394 1.00 3.42 H new ATOM 348 N ILE A 25 0.471 -2.227 -8.699 1.00 24.03 N ATOM 349 CA ILE A 25 1.538 -1.277 -8.979 1.00 72.22 C ATOM 350 C ILE A 25 1.140 -0.347 -10.123 1.00 64.31 C ATOM 351 O ILE A 25 1.316 0.861 -10.027 1.00 70.14 O ATOM 352 CB ILE A 25 2.877 -1.980 -9.305 1.00 43.21 C ATOM 353 CG1 ILE A 25 3.466 -2.605 -8.035 1.00 51.43 C ATOM 354 CG2 ILE A 25 3.868 -1.007 -9.931 1.00 33.13 C ATOM 355 CD1 ILE A 25 4.785 -3.317 -8.257 1.00 2.23 C ATOM 0 H ILE A 25 0.746 -3.207 -8.769 1.00 24.03 H new ATOM 0 HA ILE A 25 1.689 -0.689 -8.073 1.00 72.22 H new ATOM 0 HB ILE A 25 2.682 -2.771 -10.030 1.00 43.21 H new ATOM 0 HG12 ILE A 25 3.607 -1.823 -7.289 1.00 51.43 H new ATOM 0 HG13 ILE A 25 2.747 -3.313 -7.623 1.00 51.43 H new ATOM 0 HG21 ILE A 25 4.800 -1.528 -10.150 1.00 33.13 H new ATOM 0 HG22 ILE A 25 3.451 -0.606 -10.855 1.00 33.13 H new ATOM 0 HG23 ILE A 25 4.063 -0.190 -9.237 1.00 33.13 H new ATOM 0 HD11 ILE A 25 5.138 -3.732 -7.313 1.00 2.23 H new ATOM 0 HD12 ILE A 25 4.647 -4.122 -8.979 1.00 2.23 H new ATOM 0 HD13 ILE A 25 5.521 -2.609 -8.639 1.00 2.23 H new ATOM 366 N ALA A 26 0.569 -0.914 -11.181 1.00 73.01 N ATOM 367 CA ALA A 26 0.108 -0.118 -12.316 1.00 33.32 C ATOM 368 C ALA A 26 -0.898 0.939 -11.861 1.00 54.42 C ATOM 369 O ALA A 26 -0.822 2.101 -12.266 1.00 50.51 O ATOM 370 CB ALA A 26 -0.499 -1.021 -13.382 1.00 14.12 C ATOM 0 H ALA A 26 0.414 -1.918 -11.277 1.00 73.01 H new ATOM 0 HA ALA A 26 0.965 0.398 -12.749 1.00 33.32 H new ATOM 0 HB1 ALA A 26 -0.838 -0.415 -14.222 1.00 14.12 H new ATOM 0 HB2 ALA A 26 0.252 -1.732 -13.727 1.00 14.12 H new ATOM 0 HB3 ALA A 26 -1.345 -1.563 -12.961 1.00 14.12 H new ATOM 376 N SER A 27 -1.817 0.536 -10.993 1.00 72.22 N ATOM 377 CA SER A 27 -2.811 1.450 -10.439 1.00 53.42 C ATOM 378 C SER A 27 -2.145 2.550 -9.612 1.00 72.45 C ATOM 379 O SER A 27 -2.498 3.727 -9.717 1.00 34.42 O ATOM 380 CB SER A 27 -3.806 0.674 -9.574 1.00 74.42 C ATOM 381 OG SER A 27 -4.515 -0.280 -10.345 1.00 22.20 O ATOM 0 H SER A 27 -1.896 -0.423 -10.655 1.00 72.22 H new ATOM 0 HA SER A 27 -3.342 1.921 -11.266 1.00 53.42 H new ATOM 0 HB2 SER A 27 -3.275 0.171 -8.766 1.00 74.42 H new ATOM 0 HB3 SER A 27 -4.509 1.367 -9.111 1.00 74.42 H new ATOM 0 HG SER A 27 -5.143 -0.764 -9.769 1.00 22.20 H new ATOM 386 N LEU A 28 -1.173 2.158 -8.803 1.00 74.12 N ATOM 387 CA LEU A 28 -0.471 3.095 -7.934 1.00 24.32 C ATOM 388 C LEU A 28 0.409 4.042 -8.744 1.00 23.22 C ATOM 389 O LEU A 28 0.566 5.204 -8.388 1.00 23.14 O ATOM 390 CB LEU A 28 0.366 2.336 -6.902 1.00 31.22 C ATOM 391 CG LEU A 28 -0.433 1.419 -5.970 1.00 52.10 C ATOM 392 CD1 LEU A 28 0.490 0.678 -5.020 1.00 3.35 C ATOM 393 CD2 LEU A 28 -1.471 2.219 -5.195 1.00 70.44 C ATOM 0 H LEU A 28 -0.850 1.193 -8.729 1.00 74.12 H new ATOM 0 HA LEU A 28 -1.215 3.695 -7.410 1.00 24.32 H new ATOM 0 HB2 LEU A 28 1.109 1.736 -7.428 1.00 31.22 H new ATOM 0 HB3 LEU A 28 0.912 3.059 -6.296 1.00 31.22 H new ATOM 0 HG LEU A 28 -0.953 0.681 -6.581 1.00 52.10 H new ATOM 0 HD11 LEU A 28 -0.100 0.033 -4.368 1.00 3.35 H new ATOM 0 HD12 LEU A 28 1.191 0.071 -5.593 1.00 3.35 H new ATOM 0 HD13 LEU A 28 1.043 1.397 -4.415 1.00 3.35 H new ATOM 0 HD21 LEU A 28 -2.029 1.551 -4.538 1.00 70.44 H new ATOM 0 HD22 LEU A 28 -0.971 2.981 -4.598 1.00 70.44 H new ATOM 0 HD23 LEU A 28 -2.157 2.698 -5.894 1.00 70.44 H new ATOM 404 N ARG A 29 0.974 3.537 -9.835 1.00 50.22 N ATOM 405 CA ARG A 29 1.788 4.357 -10.731 1.00 44.03 C ATOM 406 C ARG A 29 0.963 5.500 -11.308 1.00 1.30 C ATOM 407 O ARG A 29 1.449 6.621 -11.459 1.00 13.44 O ATOM 408 CB ARG A 29 2.353 3.506 -11.872 1.00 52.42 C ATOM 409 CG ARG A 29 3.400 2.500 -11.431 1.00 41.53 C ATOM 410 CD ARG A 29 4.678 3.181 -10.975 1.00 4.30 C ATOM 411 NE ARG A 29 5.276 3.977 -12.042 1.00 11.31 N ATOM 412 CZ ARG A 29 6.422 3.673 -12.645 1.00 44.41 C ATOM 413 NH1 ARG A 29 7.136 2.630 -12.244 1.00 71.34 N ATOM 414 NH2 ARG A 29 6.861 4.425 -13.646 1.00 74.45 N ATOM 0 H ARG A 29 0.884 2.562 -10.122 1.00 50.22 H new ATOM 0 HA ARG A 29 2.614 4.771 -10.153 1.00 44.03 H new ATOM 0 HB2 ARG A 29 1.533 2.974 -12.355 1.00 52.42 H new ATOM 0 HB3 ARG A 29 2.791 4.166 -12.621 1.00 52.42 H new ATOM 0 HG2 ARG A 29 3.001 1.893 -10.618 1.00 41.53 H new ATOM 0 HG3 ARG A 29 3.623 1.822 -12.255 1.00 41.53 H new ATOM 0 HD2 ARG A 29 4.464 3.822 -10.120 1.00 4.30 H new ATOM 0 HD3 ARG A 29 5.391 2.428 -10.639 1.00 4.30 H new ATOM 0 HE ARG A 29 4.785 4.818 -12.344 1.00 11.31 H new ATOM 0 HH11 ARG A 29 6.807 2.055 -11.468 1.00 71.34 H new ATOM 0 HH12 ARG A 29 8.014 2.403 -12.711 1.00 71.34 H new ATOM 0 HH21 ARG A 29 6.320 5.234 -13.951 1.00 74.45 H new ATOM 0 HH22 ARG A 29 7.739 4.194 -14.110 1.00 74.45 H new ATOM 425 N VAL A 30 -0.287 5.205 -11.629 1.00 73.42 N ATOM 426 CA VAL A 30 -1.200 6.211 -12.148 1.00 31.35 C ATOM 427 C VAL A 30 -1.577 7.208 -11.058 1.00 45.52 C ATOM 428 O VAL A 30 -1.584 8.419 -11.286 1.00 3.00 O ATOM 429 CB VAL A 30 -2.479 5.569 -12.729 1.00 13.03 C ATOM 430 CG1 VAL A 30 -3.429 6.640 -13.249 1.00 22.51 C ATOM 431 CG2 VAL A 30 -2.122 4.587 -13.834 1.00 53.13 C ATOM 0 H VAL A 30 -0.693 4.274 -11.539 1.00 73.42 H new ATOM 0 HA VAL A 30 -0.683 6.735 -12.952 1.00 31.35 H new ATOM 0 HB VAL A 30 -2.985 5.024 -11.932 1.00 13.03 H new ATOM 0 HG11 VAL A 30 -4.324 6.167 -13.654 1.00 22.51 H new ATOM 0 HG12 VAL A 30 -3.708 7.306 -12.433 1.00 22.51 H new ATOM 0 HG13 VAL A 30 -2.936 7.214 -14.033 1.00 22.51 H new ATOM 0 HG21 VAL A 30 -3.033 4.142 -14.234 1.00 53.13 H new ATOM 0 HG22 VAL A 30 -1.594 5.112 -14.631 1.00 53.13 H new ATOM 0 HG23 VAL A 30 -1.482 3.802 -13.431 1.00 53.13 H new ATOM 441 N LEU A 31 -1.868 6.698 -9.867 1.00 40.33 N ATOM 442 CA LEU A 31 -2.257 7.548 -8.751 1.00 61.42 C ATOM 443 C LEU A 31 -1.081 8.418 -8.296 1.00 10.24 C ATOM 444 O LEU A 31 -1.274 9.556 -7.880 1.00 54.32 O ATOM 445 CB LEU A 31 -2.785 6.699 -7.588 1.00 32.42 C ATOM 446 CG LEU A 31 -4.102 7.186 -6.967 1.00 61.45 C ATOM 447 CD1 LEU A 31 -4.568 6.228 -5.883 1.00 62.40 C ATOM 448 CD2 LEU A 31 -3.951 8.589 -6.396 1.00 11.05 C ATOM 0 H LEU A 31 -1.842 5.702 -9.651 1.00 40.33 H new ATOM 0 HA LEU A 31 -3.057 8.208 -9.086 1.00 61.42 H new ATOM 0 HB2 LEU A 31 -2.924 5.677 -7.940 1.00 32.42 H new ATOM 0 HB3 LEU A 31 -2.024 6.667 -6.808 1.00 32.42 H new ATOM 0 HG LEU A 31 -4.853 7.216 -7.757 1.00 61.45 H new ATOM 0 HD11 LEU A 31 -5.503 6.590 -5.455 1.00 62.40 H new ATOM 0 HD12 LEU A 31 -4.725 5.239 -6.314 1.00 62.40 H new ATOM 0 HD13 LEU A 31 -3.811 6.167 -5.102 1.00 62.40 H new ATOM 0 HD21 LEU A 31 -4.898 8.909 -5.963 1.00 11.05 H new ATOM 0 HD22 LEU A 31 -3.181 8.587 -5.624 1.00 11.05 H new ATOM 0 HD23 LEU A 31 -3.665 9.277 -7.192 1.00 11.05 H new ATOM 459 N GLN A 32 0.134 7.882 -8.405 1.00 11.21 N ATOM 460 CA GLN A 32 1.350 8.631 -8.067 1.00 13.43 C ATOM 461 C GLN A 32 1.492 9.887 -8.926 1.00 22.20 C ATOM 462 O GLN A 32 2.151 10.848 -8.531 1.00 34.33 O ATOM 463 CB GLN A 32 2.594 7.755 -8.237 1.00 23.14 C ATOM 464 CG GLN A 32 3.052 7.069 -6.957 1.00 22.21 C ATOM 465 CD GLN A 32 4.252 6.160 -7.176 1.00 62.43 C ATOM 466 OE1 GLN A 32 4.418 5.167 -6.315 1.00 22.12 O flip ATOM 467 NE2 GLN A 32 5.047 6.366 -8.090 1.00 64.44 N flip ATOM 0 H GLN A 32 0.306 6.929 -8.726 1.00 11.21 H new ATOM 0 HA GLN A 32 1.261 8.932 -7.023 1.00 13.43 H new ATOM 0 HB2 GLN A 32 2.389 6.995 -8.991 1.00 23.14 H new ATOM 0 HB3 GLN A 32 3.409 8.370 -8.618 1.00 23.14 H new ATOM 0 HG2 GLN A 32 3.305 7.826 -6.214 1.00 22.21 H new ATOM 0 HG3 GLN A 32 2.228 6.484 -6.548 1.00 22.21 H new ATOM 0 HE21 GLN A 32 4.891 7.139 -8.737 1.00 64.44 H new ATOM 0 HE22 GLN A 32 5.863 5.764 -8.202 1.00 64.44 H new ATOM 474 N LYS A 33 0.864 9.875 -10.098 1.00 32.41 N ATOM 475 CA LYS A 33 0.911 11.014 -11.007 1.00 2.51 C ATOM 476 C LYS A 33 -0.013 12.128 -10.534 1.00 23.11 C ATOM 477 O LYS A 33 0.105 13.278 -10.962 1.00 13.31 O ATOM 478 CB LYS A 33 0.524 10.587 -12.417 1.00 32.41 C ATOM 479 CG LYS A 33 1.426 9.509 -12.984 1.00 51.22 C ATOM 480 CD LYS A 33 1.175 9.310 -14.460 1.00 51.31 C ATOM 481 CE LYS A 33 -0.252 8.855 -14.730 1.00 14.21 C ATOM 482 NZ LYS A 33 -0.527 8.715 -16.182 1.00 11.05 N ATOM 0 H LYS A 33 0.315 9.086 -10.441 1.00 32.41 H new ATOM 0 HA LYS A 33 1.933 11.392 -11.017 1.00 2.51 H new ATOM 0 HB2 LYS A 33 -0.504 10.225 -12.411 1.00 32.41 H new ATOM 0 HB3 LYS A 33 0.551 11.457 -13.073 1.00 32.41 H new ATOM 0 HG2 LYS A 33 2.469 9.782 -12.823 1.00 51.22 H new ATOM 0 HG3 LYS A 33 1.256 8.572 -12.454 1.00 51.22 H new ATOM 0 HD2 LYS A 33 1.367 10.242 -14.991 1.00 51.31 H new ATOM 0 HD3 LYS A 33 1.873 8.571 -14.852 1.00 51.31 H new ATOM 0 HE2 LYS A 33 -0.428 7.900 -14.234 1.00 14.21 H new ATOM 0 HE3 LYS A 33 -0.949 9.572 -14.297 1.00 14.21 H new ATOM 0 HZ1 LYS A 33 -1.509 8.403 -16.321 1.00 11.05 H new ATOM 0 HZ2 LYS A 33 -0.385 9.632 -16.652 1.00 11.05 H new ATOM 0 HZ3 LYS A 33 0.120 8.012 -16.592 1.00 11.05 H new ATOM 492 N LYS A 34 -0.937 11.773 -9.654 1.00 12.45 N ATOM 493 CA LYS A 34 -1.893 12.724 -9.107 1.00 44.44 C ATOM 494 C LYS A 34 -1.505 13.110 -7.689 1.00 54.03 C ATOM 495 O LYS A 34 -1.557 14.281 -7.306 1.00 72.20 O ATOM 496 CB LYS A 34 -3.292 12.113 -9.106 1.00 11.21 C ATOM 497 CG LYS A 34 -3.782 11.732 -10.489 1.00 44.21 C ATOM 498 CD LYS A 34 -5.070 10.932 -10.428 1.00 3.44 C ATOM 499 CE LYS A 34 -5.585 10.622 -11.822 1.00 2.03 C ATOM 500 NZ LYS A 34 -6.068 11.846 -12.512 1.00 62.05 N ATOM 0 H LYS A 34 -1.045 10.822 -9.300 1.00 12.45 H new ATOM 0 HA LYS A 34 -1.888 13.618 -9.730 1.00 44.44 H new ATOM 0 HB2 LYS A 34 -3.293 11.227 -8.471 1.00 11.21 H new ATOM 0 HB3 LYS A 34 -3.991 12.823 -8.664 1.00 11.21 H new ATOM 0 HG2 LYS A 34 -3.942 12.634 -11.080 1.00 44.21 H new ATOM 0 HG3 LYS A 34 -3.015 11.149 -10.999 1.00 44.21 H new ATOM 0 HD2 LYS A 34 -4.900 10.003 -9.885 1.00 3.44 H new ATOM 0 HD3 LYS A 34 -5.824 11.492 -9.874 1.00 3.44 H new ATOM 0 HE2 LYS A 34 -4.791 10.162 -12.410 1.00 2.03 H new ATOM 0 HE3 LYS A 34 -6.396 9.896 -11.758 1.00 2.03 H new ATOM 0 HZ1 LYS A 34 -6.594 11.577 -13.368 1.00 62.05 H new ATOM 0 HZ2 LYS A 34 -6.693 12.380 -11.875 1.00 62.05 H new ATOM 0 HZ3 LYS A 34 -5.256 12.439 -12.777 1.00 62.05 H new ATOM 510 N SER A 35 -1.115 12.108 -6.919 1.00 40.11 N ATOM 511 CA SER A 35 -0.740 12.291 -5.531 1.00 2.00 C ATOM 512 C SER A 35 0.427 11.365 -5.193 1.00 43.42 C ATOM 513 O SER A 35 0.315 10.150 -5.330 1.00 24.51 O ATOM 514 CB SER A 35 -1.939 11.993 -4.622 1.00 11.33 C ATOM 515 OG SER A 35 -3.074 12.764 -4.995 1.00 4.14 O ATOM 0 H SER A 35 -1.050 11.143 -7.242 1.00 40.11 H new ATOM 0 HA SER A 35 -0.432 13.324 -5.371 1.00 2.00 H new ATOM 0 HB2 SER A 35 -2.184 10.932 -4.675 1.00 11.33 H new ATOM 0 HB3 SER A 35 -1.675 12.208 -3.586 1.00 11.33 H new ATOM 0 HG SER A 35 -3.823 12.552 -4.400 1.00 4.14 H new ATOM 520 N TRP A 36 1.551 11.940 -4.783 1.00 13.33 N ATOM 521 CA TRP A 36 2.735 11.146 -4.488 1.00 43.22 C ATOM 522 C TRP A 36 2.616 10.479 -3.126 1.00 71.10 C ATOM 523 O TRP A 36 2.266 11.124 -2.135 1.00 61.22 O ATOM 524 CB TRP A 36 3.999 12.006 -4.529 1.00 75.34 C ATOM 525 CG TRP A 36 5.256 11.191 -4.451 1.00 45.31 C ATOM 526 CD1 TRP A 36 5.996 10.916 -3.335 1.00 71.21 C ATOM 527 CD2 TRP A 36 5.911 10.530 -5.541 1.00 33.21 C ATOM 528 NE1 TRP A 36 7.072 10.130 -3.669 1.00 22.20 N ATOM 529 CE2 TRP A 36 7.039 9.877 -5.014 1.00 55.52 C ATOM 530 CE3 TRP A 36 5.650 10.425 -6.910 1.00 52.44 C ATOM 531 CZ2 TRP A 36 7.909 9.135 -5.809 1.00 11.04 C ATOM 532 CZ3 TRP A 36 6.513 9.688 -7.699 1.00 14.11 C ATOM 533 CH2 TRP A 36 7.628 9.048 -7.146 1.00 1.01 C ATOM 0 H TRP A 36 1.667 12.944 -4.648 1.00 13.33 H new ATOM 0 HA TRP A 36 2.810 10.375 -5.255 1.00 43.22 H new ATOM 0 HB2 TRP A 36 4.006 12.590 -5.449 1.00 75.34 H new ATOM 0 HB3 TRP A 36 3.978 12.715 -3.701 1.00 75.34 H new ATOM 0 HD1 TRP A 36 5.768 11.265 -2.339 1.00 71.21 H new ATOM 0 HE1 TRP A 36 7.781 9.790 -3.020 1.00 22.20 H new ATOM 0 HE3 TRP A 36 4.789 10.911 -7.344 1.00 52.44 H new ATOM 0 HZ2 TRP A 36 8.774 8.646 -5.386 1.00 11.04 H new ATOM 0 HZ3 TRP A 36 6.324 9.605 -8.759 1.00 14.11 H new ATOM 0 HH2 TRP A 36 8.280 8.474 -7.787 1.00 1.01 H new ATOM 543 N PHE A 37 2.906 9.185 -3.087 1.00 35.14 N ATOM 544 CA PHE A 37 2.858 8.423 -1.848 1.00 50.33 C ATOM 545 C PHE A 37 3.946 7.357 -1.806 1.00 71.25 C ATOM 546 O PHE A 37 3.887 6.441 -0.986 1.00 4.32 O ATOM 547 CB PHE A 37 1.477 7.775 -1.678 1.00 23.34 C ATOM 548 CG PHE A 37 0.955 7.074 -2.910 1.00 75.04 C ATOM 549 CD1 PHE A 37 1.514 5.884 -3.354 1.00 22.44 C ATOM 550 CD2 PHE A 37 -0.107 7.610 -3.619 1.00 54.11 C ATOM 551 CE1 PHE A 37 1.026 5.246 -4.475 1.00 22.02 C ATOM 552 CE2 PHE A 37 -0.601 6.974 -4.743 1.00 74.32 C ATOM 553 CZ PHE A 37 -0.033 5.791 -5.171 1.00 31.40 C ATOM 0 H PHE A 37 3.178 8.639 -3.905 1.00 35.14 H new ATOM 0 HA PHE A 37 3.035 9.114 -1.024 1.00 50.33 H new ATOM 0 HB2 PHE A 37 1.526 7.056 -0.860 1.00 23.34 H new ATOM 0 HB3 PHE A 37 0.763 8.544 -1.384 1.00 23.34 H new ATOM 0 HD1 PHE A 37 2.343 5.451 -2.814 1.00 22.44 H new ATOM 0 HD2 PHE A 37 -0.555 8.536 -3.290 1.00 54.11 H new ATOM 0 HE1 PHE A 37 1.472 4.321 -4.808 1.00 22.02 H new ATOM 0 HE2 PHE A 37 -1.431 7.403 -5.286 1.00 74.32 H new ATOM 0 HZ PHE A 37 -0.417 5.293 -6.049 1.00 31.40 H new ATOM 562 N GLU A 38 4.947 7.492 -2.677 1.00 51.45 N ATOM 563 CA GLU A 38 6.029 6.509 -2.771 1.00 41.54 C ATOM 564 C GLU A 38 5.480 5.121 -3.093 1.00 25.12 C ATOM 565 O GLU A 38 4.293 4.953 -3.366 1.00 13.02 O ATOM 566 CB GLU A 38 6.821 6.458 -1.461 1.00 3.01 C ATOM 567 CG GLU A 38 7.610 7.718 -1.172 1.00 13.01 C ATOM 568 CD GLU A 38 8.918 7.772 -1.930 1.00 73.32 C ATOM 569 OE1 GLU A 38 9.728 6.833 -1.792 1.00 12.11 O ATOM 570 OE2 GLU A 38 9.149 8.762 -2.653 1.00 14.54 O ATOM 0 H GLU A 38 5.032 8.273 -3.328 1.00 51.45 H new ATOM 0 HA GLU A 38 6.692 6.818 -3.579 1.00 41.54 H new ATOM 0 HB2 GLU A 38 6.131 6.276 -0.637 1.00 3.01 H new ATOM 0 HB3 GLU A 38 7.507 5.611 -1.495 1.00 3.01 H new ATOM 0 HG2 GLU A 38 7.007 8.588 -1.433 1.00 13.01 H new ATOM 0 HG3 GLU A 38 7.811 7.779 -0.102 1.00 13.01 H new ATOM 575 N LEU A 39 6.347 4.130 -3.110 1.00 33.12 N ATOM 576 CA LEU A 39 5.899 2.758 -3.246 1.00 20.34 C ATOM 577 C LEU A 39 6.874 1.805 -2.572 1.00 45.33 C ATOM 578 O LEU A 39 8.005 1.640 -3.027 1.00 22.13 O ATOM 579 CB LEU A 39 5.700 2.398 -4.720 1.00 23.11 C ATOM 580 CG LEU A 39 4.953 1.085 -4.977 1.00 62.32 C ATOM 581 CD1 LEU A 39 3.844 0.885 -3.951 1.00 13.52 C ATOM 582 CD2 LEU A 39 4.363 1.092 -6.376 1.00 10.04 C ATOM 0 H LEU A 39 7.357 4.246 -3.032 1.00 33.12 H new ATOM 0 HA LEU A 39 4.936 2.659 -2.745 1.00 20.34 H new ATOM 0 HB2 LEU A 39 5.155 3.208 -5.205 1.00 23.11 H new ATOM 0 HB3 LEU A 39 6.678 2.341 -5.198 1.00 23.11 H new ATOM 0 HG LEU A 39 5.662 0.262 -4.886 1.00 62.32 H new ATOM 0 HD11 LEU A 39 3.327 -0.053 -4.152 1.00 13.52 H new ATOM 0 HD12 LEU A 39 4.275 0.854 -2.950 1.00 13.52 H new ATOM 0 HD13 LEU A 39 3.136 1.711 -4.015 1.00 13.52 H new ATOM 0 HD21 LEU A 39 3.833 0.156 -6.552 1.00 10.04 H new ATOM 0 HD22 LEU A 39 3.668 1.926 -6.474 1.00 10.04 H new ATOM 0 HD23 LEU A 39 5.164 1.199 -7.108 1.00 10.04 H new ATOM 593 N GLU A 40 6.437 1.206 -1.475 1.00 63.11 N ATOM 594 CA GLU A 40 7.245 0.224 -0.773 1.00 65.11 C ATOM 595 C GLU A 40 6.715 -1.178 -1.050 1.00 50.41 C ATOM 596 O GLU A 40 5.503 -1.393 -1.103 1.00 74.04 O ATOM 597 CB GLU A 40 7.231 0.487 0.732 1.00 23.14 C ATOM 598 CG GLU A 40 8.255 -0.329 1.496 1.00 53.41 C ATOM 599 CD GLU A 40 9.678 0.079 1.176 1.00 44.32 C ATOM 600 OE1 GLU A 40 10.143 1.106 1.717 1.00 5.11 O ATOM 601 OE2 GLU A 40 10.329 -0.621 0.378 1.00 2.52 O ATOM 0 H GLU A 40 5.526 1.384 -1.052 1.00 63.11 H new ATOM 0 HA GLU A 40 8.271 0.304 -1.133 1.00 65.11 H new ATOM 0 HB2 GLU A 40 7.416 1.546 0.910 1.00 23.14 H new ATOM 0 HB3 GLU A 40 6.237 0.267 1.122 1.00 23.14 H new ATOM 0 HG2 GLU A 40 8.080 -0.216 2.566 1.00 53.41 H new ATOM 0 HG3 GLU A 40 8.122 -1.385 1.261 1.00 53.41 H new ATOM 606 N VAL A 41 7.623 -2.123 -1.211 1.00 54.52 N ATOM 607 CA VAL A 41 7.256 -3.499 -1.510 1.00 32.21 C ATOM 608 C VAL A 41 7.938 -4.432 -0.520 1.00 61.41 C ATOM 609 O VAL A 41 9.167 -4.489 -0.452 1.00 71.01 O ATOM 610 CB VAL A 41 7.650 -3.898 -2.953 1.00 63.12 C ATOM 611 CG1 VAL A 41 7.228 -5.333 -3.245 1.00 3.05 C ATOM 612 CG2 VAL A 41 7.032 -2.943 -3.970 1.00 23.23 C ATOM 0 H VAL A 41 8.628 -1.963 -1.139 1.00 54.52 H new ATOM 0 HA VAL A 41 6.173 -3.584 -1.424 1.00 32.21 H new ATOM 0 HB VAL A 41 8.735 -3.831 -3.039 1.00 63.12 H new ATOM 0 HG11 VAL A 41 7.513 -5.596 -4.264 1.00 3.05 H new ATOM 0 HG12 VAL A 41 7.721 -6.007 -2.545 1.00 3.05 H new ATOM 0 HG13 VAL A 41 6.147 -5.424 -3.136 1.00 3.05 H new ATOM 0 HG21 VAL A 41 7.324 -3.244 -4.976 1.00 23.23 H new ATOM 0 HG22 VAL A 41 5.946 -2.972 -3.883 1.00 23.23 H new ATOM 0 HG23 VAL A 41 7.385 -1.930 -3.778 1.00 23.23 H new ATOM 622 N ILE A 42 7.145 -5.142 0.268 1.00 52.24 N ATOM 623 CA ILE A 42 7.690 -6.001 1.303 1.00 35.50 C ATOM 624 C ILE A 42 7.121 -7.412 1.220 1.00 60.45 C ATOM 625 O ILE A 42 5.930 -7.633 1.462 1.00 52.04 O ATOM 626 CB ILE A 42 7.429 -5.415 2.710 1.00 4.21 C ATOM 627 CG1 ILE A 42 8.062 -4.023 2.816 1.00 0.30 C ATOM 628 CG2 ILE A 42 7.980 -6.342 3.787 1.00 54.51 C ATOM 629 CD1 ILE A 42 7.823 -3.343 4.139 1.00 34.50 C ATOM 0 H ILE A 42 6.127 -5.139 0.210 1.00 52.24 H new ATOM 0 HA ILE A 42 8.766 -6.054 1.136 1.00 35.50 H new ATOM 0 HB ILE A 42 6.354 -5.325 2.863 1.00 4.21 H new ATOM 0 HG12 ILE A 42 9.136 -4.110 2.652 1.00 0.30 H new ATOM 0 HG13 ILE A 42 7.667 -3.393 2.018 1.00 0.30 H new ATOM 0 HG21 ILE A 42 7.787 -5.913 4.770 1.00 54.51 H new ATOM 0 HG22 ILE A 42 7.493 -7.315 3.714 1.00 54.51 H new ATOM 0 HG23 ILE A 42 9.054 -6.463 3.648 1.00 54.51 H new ATOM 0 HD11 ILE A 42 8.302 -2.364 4.136 1.00 34.50 H new ATOM 0 HD12 ILE A 42 6.751 -3.223 4.298 1.00 34.50 H new ATOM 0 HD13 ILE A 42 8.243 -3.950 4.941 1.00 34.50 H new ATOM 640 N ASN A 43 7.970 -8.358 0.836 1.00 51.42 N ATOM 641 CA ASN A 43 7.615 -9.769 0.877 1.00 41.23 C ATOM 642 C ASN A 43 7.486 -10.231 2.319 1.00 54.11 C ATOM 643 O ASN A 43 8.483 -10.368 3.034 1.00 3.40 O ATOM 644 CB ASN A 43 8.658 -10.620 0.147 1.00 15.21 C ATOM 645 CG ASN A 43 8.524 -10.541 -1.360 1.00 31.23 C ATOM 646 OD1 ASN A 43 9.059 -9.635 -1.995 1.00 14.14 O ATOM 647 ND2 ASN A 43 7.827 -11.503 -1.952 1.00 12.22 N ATOM 0 H ASN A 43 8.912 -8.171 0.492 1.00 51.42 H new ATOM 0 HA ASN A 43 6.658 -9.894 0.371 1.00 41.23 H new ATOM 0 HB2 ASN A 43 9.656 -10.292 0.437 1.00 15.21 H new ATOM 0 HB3 ASN A 43 8.559 -11.659 0.463 1.00 15.21 H new ATOM 0 HD21 ASN A 43 7.722 -11.506 -2.967 1.00 12.22 H new ATOM 0 HD22 ASN A 43 7.397 -12.239 -1.392 1.00 12.22 H new ATOM 653 N ILE A 44 6.256 -10.459 2.749 1.00 41.24 N ATOM 654 CA ILE A 44 5.996 -10.863 4.122 1.00 70.32 C ATOM 655 C ILE A 44 6.192 -12.359 4.298 1.00 30.31 C ATOM 656 O ILE A 44 6.164 -12.858 5.414 1.00 53.21 O ATOM 657 CB ILE A 44 4.564 -10.511 4.567 1.00 31.45 C ATOM 658 CG1 ILE A 44 3.538 -11.287 3.737 1.00 70.33 C ATOM 659 CG2 ILE A 44 4.328 -9.016 4.448 1.00 13.24 C ATOM 660 CD1 ILE A 44 2.125 -11.183 4.269 1.00 52.41 C ATOM 0 H ILE A 44 5.422 -10.371 2.168 1.00 41.24 H new ATOM 0 HA ILE A 44 6.708 -10.315 4.739 1.00 70.32 H new ATOM 0 HB ILE A 44 4.444 -10.797 5.612 1.00 31.45 H new ATOM 0 HG12 ILE A 44 3.559 -10.918 2.711 1.00 70.33 H new ATOM 0 HG13 ILE A 44 3.829 -12.337 3.704 1.00 70.33 H new ATOM 0 HG21 ILE A 44 3.312 -8.782 4.766 1.00 13.24 H new ATOM 0 HG22 ILE A 44 5.038 -8.484 5.081 1.00 13.24 H new ATOM 0 HG23 ILE A 44 4.464 -8.708 3.411 1.00 13.24 H new ATOM 0 HD11 ILE A 44 1.453 -11.757 3.631 1.00 52.41 H new ATOM 0 HD12 ILE A 44 2.088 -11.579 5.284 1.00 52.41 H new ATOM 0 HD13 ILE A 44 1.815 -10.138 4.275 1.00 52.41 H new ATOM 671 N ASP A 45 6.403 -13.059 3.188 1.00 64.33 N ATOM 672 CA ASP A 45 6.500 -14.519 3.197 1.00 20.12 C ATOM 673 C ASP A 45 7.637 -14.987 4.102 1.00 4.14 C ATOM 674 O ASP A 45 7.525 -16.009 4.773 1.00 31.32 O ATOM 675 CB ASP A 45 6.711 -15.042 1.772 1.00 14.41 C ATOM 676 CG ASP A 45 6.528 -16.546 1.658 1.00 42.11 C ATOM 677 OD1 ASP A 45 5.369 -16.996 1.525 1.00 22.00 O ATOM 678 OD2 ASP A 45 7.539 -17.281 1.684 1.00 43.34 O ATOM 0 H ASP A 45 6.511 -12.638 2.265 1.00 64.33 H new ATOM 0 HA ASP A 45 5.566 -14.920 3.590 1.00 20.12 H new ATOM 0 HB2 ASP A 45 6.011 -14.545 1.101 1.00 14.41 H new ATOM 0 HB3 ASP A 45 7.714 -14.777 1.439 1.00 14.41 H new ATOM 682 N GLY A 46 8.723 -14.223 4.130 1.00 61.24 N ATOM 683 CA GLY A 46 9.853 -14.578 4.966 1.00 42.52 C ATOM 684 C GLY A 46 9.678 -14.144 6.410 1.00 74.05 C ATOM 685 O GLY A 46 10.430 -14.570 7.287 1.00 2.14 O ATOM 0 H GLY A 46 8.841 -13.366 3.590 1.00 61.24 H new ATOM 0 HA2 GLY A 46 9.999 -15.658 4.931 1.00 42.52 H new ATOM 0 HA3 GLY A 46 10.756 -14.121 4.561 1.00 42.52 H new ATOM 689 N ASN A 47 8.681 -13.302 6.661 1.00 61.33 N ATOM 690 CA ASN A 47 8.435 -12.783 8.002 1.00 73.41 C ATOM 691 C ASN A 47 7.242 -13.485 8.629 1.00 62.32 C ATOM 692 O ASN A 47 6.094 -13.279 8.221 1.00 30.33 O ATOM 693 CB ASN A 47 8.201 -11.269 7.980 1.00 75.11 C ATOM 694 CG ASN A 47 9.450 -10.476 7.624 1.00 52.05 C ATOM 695 OD1 ASN A 47 10.236 -10.107 8.497 1.00 41.15 O ATOM 696 ND2 ASN A 47 9.632 -10.196 6.343 1.00 11.24 N ATOM 0 H ASN A 47 8.029 -12.964 5.953 1.00 61.33 H new ATOM 0 HA ASN A 47 9.323 -12.980 8.603 1.00 73.41 H new ATOM 0 HB2 ASN A 47 7.415 -11.039 7.260 1.00 75.11 H new ATOM 0 HB3 ASN A 47 7.841 -10.949 8.958 1.00 75.11 H new ATOM 0 HD21 ASN A 47 10.446 -9.657 6.050 1.00 11.24 H new ATOM 0 HD22 ASN A 47 8.958 -10.520 5.649 1.00 11.24 H new ATOM 702 N GLU A 48 7.524 -14.301 9.631 1.00 45.11 N ATOM 703 CA GLU A 48 6.513 -15.130 10.271 1.00 22.00 C ATOM 704 C GLU A 48 5.390 -14.275 10.857 1.00 34.21 C ATOM 705 O GLU A 48 4.212 -14.573 10.667 1.00 71.32 O ATOM 706 CB GLU A 48 7.180 -16.000 11.349 1.00 10.40 C ATOM 707 CG GLU A 48 6.263 -17.027 12.003 1.00 60.02 C ATOM 708 CD GLU A 48 5.477 -16.466 13.173 1.00 41.41 C ATOM 709 OE1 GLU A 48 5.992 -15.557 13.860 1.00 12.22 O ATOM 710 OE2 GLU A 48 4.359 -16.956 13.433 1.00 44.14 O ATOM 0 H GLU A 48 8.459 -14.408 10.024 1.00 45.11 H new ATOM 0 HA GLU A 48 6.058 -15.781 9.525 1.00 22.00 H new ATOM 0 HB2 GLU A 48 8.026 -16.522 10.902 1.00 10.40 H new ATOM 0 HB3 GLU A 48 7.582 -15.348 12.124 1.00 10.40 H new ATOM 0 HG2 GLU A 48 5.567 -17.411 11.257 1.00 60.02 H new ATOM 0 HG3 GLU A 48 6.860 -17.872 12.346 1.00 60.02 H new ATOM 715 N HIS A 49 5.758 -13.190 11.529 1.00 31.00 N ATOM 716 CA HIS A 49 4.778 -12.357 12.220 1.00 64.43 C ATOM 717 C HIS A 49 3.883 -11.610 11.231 1.00 43.24 C ATOM 718 O HIS A 49 2.695 -11.409 11.489 1.00 11.03 O ATOM 719 CB HIS A 49 5.470 -11.365 13.160 1.00 73.03 C ATOM 720 CG HIS A 49 4.525 -10.655 14.082 1.00 34.33 C ATOM 721 ND1 HIS A 49 4.291 -9.298 14.031 1.00 71.35 N ATOM 722 CD2 HIS A 49 3.752 -11.127 15.088 1.00 31.53 C ATOM 723 CE1 HIS A 49 3.416 -8.969 14.964 1.00 14.31 C ATOM 724 NE2 HIS A 49 3.072 -10.060 15.619 1.00 31.35 N ATOM 0 H HIS A 49 6.722 -12.867 11.611 1.00 31.00 H new ATOM 0 HA HIS A 49 4.148 -13.020 12.813 1.00 64.43 H new ATOM 0 HB2 HIS A 49 6.213 -11.897 13.754 1.00 73.03 H new ATOM 0 HB3 HIS A 49 6.007 -10.627 12.565 1.00 73.03 H new ATOM 0 HD2 HIS A 49 3.683 -12.155 15.413 1.00 31.53 H new ATOM 0 HE1 HIS A 49 3.045 -7.973 15.158 1.00 14.31 H new ATOM 0 HE2 HIS A 49 2.409 -10.104 16.393 1.00 31.35 H new ATOM 731 N LEU A 50 4.445 -11.207 10.099 1.00 54.11 N ATOM 732 CA LEU A 50 3.678 -10.485 9.090 1.00 3.22 C ATOM 733 C LEU A 50 2.720 -11.428 8.367 1.00 70.23 C ATOM 734 O LEU A 50 1.607 -11.042 8.002 1.00 61.13 O ATOM 735 CB LEU A 50 4.611 -9.807 8.085 1.00 12.22 C ATOM 736 CG LEU A 50 5.476 -8.679 8.656 1.00 14.20 C ATOM 737 CD1 LEU A 50 6.373 -8.089 7.576 1.00 65.43 C ATOM 738 CD2 LEU A 50 4.604 -7.594 9.274 1.00 34.33 C ATOM 0 H LEU A 50 5.423 -11.366 9.856 1.00 54.11 H new ATOM 0 HA LEU A 50 3.094 -9.715 9.595 1.00 3.22 H new ATOM 0 HB2 LEU A 50 5.267 -10.564 7.655 1.00 12.22 H new ATOM 0 HB3 LEU A 50 4.010 -9.405 7.269 1.00 12.22 H new ATOM 0 HG LEU A 50 6.109 -9.099 9.437 1.00 14.20 H new ATOM 0 HD11 LEU A 50 6.979 -7.290 8.003 1.00 65.43 H new ATOM 0 HD12 LEU A 50 7.026 -8.867 7.180 1.00 65.43 H new ATOM 0 HD13 LEU A 50 5.757 -7.687 6.771 1.00 65.43 H new ATOM 0 HD21 LEU A 50 5.237 -6.802 9.674 1.00 34.33 H new ATOM 0 HD22 LEU A 50 3.943 -7.180 8.512 1.00 34.33 H new ATOM 0 HD23 LEU A 50 4.006 -8.022 10.079 1.00 34.33 H new ATOM 749 N THR A 51 3.154 -12.668 8.180 1.00 33.52 N ATOM 750 CA THR A 51 2.331 -13.686 7.543 1.00 31.44 C ATOM 751 C THR A 51 1.080 -13.974 8.381 1.00 73.35 C ATOM 752 O THR A 51 0.015 -14.273 7.847 1.00 72.12 O ATOM 753 CB THR A 51 3.135 -14.987 7.335 1.00 63.00 C ATOM 754 OG1 THR A 51 4.313 -14.711 6.566 1.00 15.14 O ATOM 755 CG2 THR A 51 2.306 -16.040 6.618 1.00 73.32 C ATOM 0 H THR A 51 4.078 -12.994 8.463 1.00 33.52 H new ATOM 0 HA THR A 51 2.021 -13.306 6.569 1.00 31.44 H new ATOM 0 HB THR A 51 3.410 -15.372 8.317 1.00 63.00 H new ATOM 0 HG1 THR A 51 4.946 -14.197 7.110 1.00 15.14 H new ATOM 0 HG21 THR A 51 2.901 -16.944 6.487 1.00 73.32 H new ATOM 0 HG22 THR A 51 1.420 -16.271 7.210 1.00 73.32 H new ATOM 0 HG23 THR A 51 2.002 -15.661 5.642 1.00 73.32 H new ATOM 763 N ARG A 52 1.213 -13.833 9.695 1.00 74.23 N ATOM 764 CA ARG A 52 0.108 -14.071 10.627 1.00 3.10 C ATOM 765 C ARG A 52 -1.081 -13.179 10.296 1.00 43.52 C ATOM 766 O ARG A 52 -2.238 -13.579 10.426 1.00 13.11 O ATOM 767 CB ARG A 52 0.554 -13.789 12.064 1.00 2.05 C ATOM 768 CG ARG A 52 1.748 -14.612 12.513 1.00 70.14 C ATOM 769 CD ARG A 52 1.392 -16.075 12.700 1.00 63.31 C ATOM 770 NE ARG A 52 0.546 -16.288 13.871 1.00 32.02 N ATOM 771 CZ ARG A 52 0.894 -17.056 14.900 1.00 60.13 C ATOM 772 NH1 ARG A 52 2.108 -17.601 14.948 1.00 23.12 N ATOM 773 NH2 ARG A 52 0.047 -17.252 15.903 1.00 54.24 N ATOM 0 H ARG A 52 2.084 -13.552 10.146 1.00 74.23 H new ATOM 0 HA ARG A 52 -0.189 -15.116 10.532 1.00 3.10 H new ATOM 0 HB2 ARG A 52 0.800 -12.731 12.156 1.00 2.05 H new ATOM 0 HB3 ARG A 52 -0.281 -13.982 12.737 1.00 2.05 H new ATOM 0 HG2 ARG A 52 2.546 -14.525 11.776 1.00 70.14 H new ATOM 0 HG3 ARG A 52 2.134 -14.210 13.450 1.00 70.14 H new ATOM 0 HD2 ARG A 52 0.878 -16.439 11.811 1.00 63.31 H new ATOM 0 HD3 ARG A 52 2.306 -16.660 12.802 1.00 63.31 H new ATOM 0 HE ARG A 52 -0.361 -15.823 13.902 1.00 32.02 H new ATOM 0 HH11 ARG A 52 2.774 -17.430 14.195 1.00 23.12 H new ATOM 0 HH12 ARG A 52 2.372 -18.189 15.738 1.00 23.12 H new ATOM 0 HH21 ARG A 52 -0.874 -16.813 15.886 1.00 54.24 H new ATOM 0 HH22 ARG A 52 0.317 -17.841 16.691 1.00 54.24 H new ATOM 784 N LEU A 53 -0.779 -11.965 9.857 1.00 64.20 N ATOM 785 CA LEU A 53 -1.804 -10.969 9.600 1.00 55.44 C ATOM 786 C LEU A 53 -2.330 -11.032 8.170 1.00 0.44 C ATOM 787 O LEU A 53 -3.540 -11.084 7.951 1.00 33.33 O ATOM 788 CB LEU A 53 -1.253 -9.568 9.873 1.00 24.12 C ATOM 789 CG LEU A 53 -1.016 -9.230 11.343 1.00 24.53 C ATOM 790 CD1 LEU A 53 -0.229 -7.933 11.469 1.00 40.15 C ATOM 791 CD2 LEU A 53 -2.347 -9.120 12.074 1.00 23.42 C ATOM 0 H LEU A 53 0.172 -11.647 9.671 1.00 64.20 H new ATOM 0 HA LEU A 53 -2.635 -11.186 10.271 1.00 55.44 H new ATOM 0 HB2 LEU A 53 -0.311 -9.456 9.336 1.00 24.12 H new ATOM 0 HB3 LEU A 53 -1.946 -8.837 9.457 1.00 24.12 H new ATOM 0 HG LEU A 53 -0.433 -10.030 11.798 1.00 24.53 H new ATOM 0 HD11 LEU A 53 -0.068 -7.706 12.523 1.00 40.15 H new ATOM 0 HD12 LEU A 53 0.734 -8.042 10.970 1.00 40.15 H new ATOM 0 HD13 LEU A 53 -0.789 -7.121 11.004 1.00 40.15 H new ATOM 0 HD21 LEU A 53 -2.168 -8.879 13.122 1.00 23.42 H new ATOM 0 HD22 LEU A 53 -2.949 -8.334 11.618 1.00 23.42 H new ATOM 0 HD23 LEU A 53 -2.879 -10.069 12.006 1.00 23.42 H new ATOM 802 N TYR A 54 -1.430 -11.042 7.199 1.00 34.25 N ATOM 803 CA TYR A 54 -1.824 -10.778 5.821 1.00 22.13 C ATOM 804 C TYR A 54 -1.774 -12.018 4.929 1.00 73.30 C ATOM 805 O TYR A 54 -2.020 -11.904 3.737 1.00 4.52 O ATOM 806 CB TYR A 54 -0.922 -9.698 5.220 1.00 51.42 C ATOM 807 CG TYR A 54 -0.698 -8.501 6.122 1.00 2.30 C ATOM 808 CD1 TYR A 54 -1.761 -7.719 6.558 1.00 61.01 C ATOM 809 CD2 TYR A 54 0.583 -8.155 6.533 1.00 64.43 C ATOM 810 CE1 TYR A 54 -1.551 -6.627 7.380 1.00 42.45 C ATOM 811 CE2 TYR A 54 0.802 -7.066 7.352 1.00 22.33 C ATOM 812 CZ TYR A 54 -0.266 -6.305 7.774 1.00 54.32 C ATOM 813 OH TYR A 54 -0.044 -5.215 8.587 1.00 40.34 O ATOM 0 H TYR A 54 -0.436 -11.227 7.334 1.00 34.25 H new ATOM 0 HA TYR A 54 -2.861 -10.445 5.857 1.00 22.13 H new ATOM 0 HB2 TYR A 54 0.044 -10.141 4.977 1.00 51.42 H new ATOM 0 HB3 TYR A 54 -1.360 -9.355 4.283 1.00 51.42 H new ATOM 0 HD1 TYR A 54 -2.766 -7.968 6.250 1.00 61.01 H new ATOM 0 HD2 TYR A 54 1.423 -8.749 6.206 1.00 64.43 H new ATOM 0 HE1 TYR A 54 -2.387 -6.029 7.712 1.00 42.45 H new ATOM 0 HE2 TYR A 54 1.805 -6.812 7.660 1.00 22.33 H new ATOM 0 HH TYR A 54 0.915 -5.133 8.769 1.00 40.34 H new ATOM 822 N ASN A 55 -1.468 -13.187 5.498 1.00 2.11 N ATOM 823 CA ASN A 55 -1.283 -14.418 4.700 1.00 1.44 C ATOM 824 C ASN A 55 -2.342 -14.595 3.608 1.00 11.00 C ATOM 825 O ASN A 55 -2.007 -14.714 2.428 1.00 64.21 O ATOM 826 CB ASN A 55 -1.282 -15.662 5.596 1.00 71.32 C ATOM 827 CG ASN A 55 -1.038 -16.941 4.812 1.00 11.11 C ATOM 828 OD1 ASN A 55 0.105 -17.319 4.567 1.00 51.14 O ATOM 829 ND2 ASN A 55 -2.100 -17.637 4.444 1.00 24.53 N ATOM 0 H ASN A 55 -1.342 -13.314 6.502 1.00 2.11 H new ATOM 0 HA ASN A 55 -0.315 -14.306 4.212 1.00 1.44 H new ATOM 0 HB2 ASN A 55 -0.512 -15.555 6.360 1.00 71.32 H new ATOM 0 HB3 ASN A 55 -2.238 -15.734 6.114 1.00 71.32 H new ATOM 0 HD21 ASN A 55 -1.984 -18.517 3.941 1.00 24.53 H new ATOM 0 HD22 ASN A 55 -3.035 -17.294 4.663 1.00 24.53 H new ATOM 835 N ASP A 56 -3.610 -14.607 3.995 1.00 42.54 N ATOM 836 CA ASP A 56 -4.686 -14.914 3.054 1.00 62.55 C ATOM 837 C ASP A 56 -5.350 -13.655 2.517 1.00 42.24 C ATOM 838 O ASP A 56 -6.295 -13.729 1.728 1.00 62.44 O ATOM 839 CB ASP A 56 -5.732 -15.808 3.718 1.00 2.43 C ATOM 840 CG ASP A 56 -5.169 -17.162 4.096 1.00 62.15 C ATOM 841 OD1 ASP A 56 -5.173 -18.071 3.245 1.00 74.30 O ATOM 842 OD2 ASP A 56 -4.707 -17.319 5.249 1.00 73.02 O ATOM 0 H ASP A 56 -3.921 -14.410 4.946 1.00 42.54 H new ATOM 0 HA ASP A 56 -4.238 -15.440 2.211 1.00 62.55 H new ATOM 0 HB2 ASP A 56 -6.116 -15.314 4.610 1.00 2.43 H new ATOM 0 HB3 ASP A 56 -6.575 -15.943 3.041 1.00 2.43 H new ATOM 846 N ARG A 57 -4.858 -12.500 2.938 1.00 73.24 N ATOM 847 CA ARG A 57 -5.393 -11.228 2.489 1.00 51.34 C ATOM 848 C ARG A 57 -4.242 -10.324 2.091 1.00 10.03 C ATOM 849 O ARG A 57 -4.126 -9.217 2.602 1.00 3.13 O ATOM 850 CB ARG A 57 -6.204 -10.546 3.599 1.00 75.34 C ATOM 851 CG ARG A 57 -7.442 -11.304 4.044 1.00 75.51 C ATOM 852 CD ARG A 57 -8.138 -10.579 5.183 1.00 42.35 C ATOM 853 NE ARG A 57 -9.342 -11.274 5.627 1.00 41.14 N ATOM 854 CZ ARG A 57 -9.886 -11.115 6.832 1.00 44.52 C ATOM 855 NH1 ARG A 57 -9.346 -10.276 7.710 1.00 42.11 N ATOM 856 NH2 ARG A 57 -10.979 -11.786 7.165 1.00 43.34 N ATOM 0 H ARG A 57 -4.082 -12.420 3.596 1.00 73.24 H new ATOM 0 HA ARG A 57 -6.053 -11.409 1.640 1.00 51.34 H new ATOM 0 HB2 ARG A 57 -5.556 -10.398 4.463 1.00 75.34 H new ATOM 0 HB3 ARG A 57 -6.506 -9.557 3.253 1.00 75.34 H new ATOM 0 HG2 ARG A 57 -8.128 -11.414 3.204 1.00 75.51 H new ATOM 0 HG3 ARG A 57 -7.164 -12.309 4.362 1.00 75.51 H new ATOM 0 HD2 ARG A 57 -7.449 -10.478 6.022 1.00 42.35 H new ATOM 0 HD3 ARG A 57 -8.400 -9.571 4.863 1.00 42.35 H new ATOM 0 HE ARG A 57 -9.793 -11.918 4.977 1.00 41.14 H new ATOM 0 HH11 ARG A 57 -8.509 -9.748 7.463 1.00 42.11 H new ATOM 0 HH12 ARG A 57 -9.769 -10.160 8.631 1.00 42.11 H new ATOM 0 HH21 ARG A 57 -11.407 -12.427 6.497 1.00 43.34 H new ATOM 0 HH22 ARG A 57 -11.392 -11.661 8.089 1.00 43.34 H new ATOM 867 N VAL A 58 -3.390 -10.799 1.181 1.00 52.51 N ATOM 868 CA VAL A 58 -2.177 -10.078 0.845 1.00 23.23 C ATOM 869 C VAL A 58 -2.444 -8.933 -0.137 1.00 5.34 C ATOM 870 O VAL A 58 -3.478 -8.275 -0.015 1.00 61.24 O ATOM 871 CB VAL A 58 -1.035 -11.004 0.363 1.00 74.24 C ATOM 872 CG1 VAL A 58 -0.078 -11.295 1.502 1.00 44.00 C ATOM 873 CG2 VAL A 58 -1.575 -12.298 -0.219 1.00 25.24 C ATOM 0 H VAL A 58 -3.522 -11.673 0.671 1.00 52.51 H new ATOM 0 HA VAL A 58 -1.826 -9.629 1.774 1.00 23.23 H new ATOM 0 HB VAL A 58 -0.496 -10.484 -0.429 1.00 74.24 H new ATOM 0 HG11 VAL A 58 0.720 -11.948 1.149 1.00 44.00 H new ATOM 0 HG12 VAL A 58 0.351 -10.361 1.865 1.00 44.00 H new ATOM 0 HG13 VAL A 58 -0.616 -11.786 2.313 1.00 44.00 H new ATOM 0 HG21 VAL A 58 -0.745 -12.924 -0.547 1.00 25.24 H new ATOM 0 HG22 VAL A 58 -2.150 -12.827 0.541 1.00 25.24 H new ATOM 0 HG23 VAL A 58 -2.219 -12.074 -1.070 1.00 25.24 H new ATOM 883 N PRO A 59 -1.619 -8.754 -1.198 1.00 64.13 N ATOM 884 CA PRO A 59 -1.200 -7.449 -1.649 1.00 22.41 C ATOM 885 C PRO A 59 -1.879 -6.298 -0.901 1.00 11.24 C ATOM 886 O PRO A 59 -2.669 -5.550 -1.465 1.00 4.44 O ATOM 887 CB PRO A 59 -1.563 -7.507 -3.125 1.00 2.01 C ATOM 888 CG PRO A 59 -1.324 -8.945 -3.507 1.00 54.04 C ATOM 889 CD PRO A 59 -1.230 -9.739 -2.217 1.00 23.20 C ATOM 0 HA PRO A 59 -0.146 -7.242 -1.465 1.00 22.41 H new ATOM 0 HB2 PRO A 59 -2.601 -7.218 -3.292 1.00 2.01 H new ATOM 0 HB3 PRO A 59 -0.945 -6.830 -3.714 1.00 2.01 H new ATOM 0 HG2 PRO A 59 -2.136 -9.318 -4.131 1.00 54.04 H new ATOM 0 HG3 PRO A 59 -0.406 -9.042 -4.087 1.00 54.04 H new ATOM 0 HD2 PRO A 59 -1.898 -10.600 -2.223 1.00 23.20 H new ATOM 0 HD3 PRO A 59 -0.222 -10.119 -2.048 1.00 23.20 H new ATOM 894 N VAL A 60 -1.540 -6.163 0.376 1.00 64.13 N ATOM 895 CA VAL A 60 -2.235 -5.244 1.262 1.00 43.34 C ATOM 896 C VAL A 60 -1.554 -3.893 1.248 1.00 21.13 C ATOM 897 O VAL A 60 -0.345 -3.794 1.462 1.00 31.41 O ATOM 898 CB VAL A 60 -2.287 -5.757 2.721 1.00 32.54 C ATOM 899 CG1 VAL A 60 -3.670 -5.551 3.314 1.00 14.14 C ATOM 900 CG2 VAL A 60 -1.907 -7.217 2.800 1.00 61.45 C ATOM 0 H VAL A 60 -0.783 -6.683 0.820 1.00 64.13 H new ATOM 0 HA VAL A 60 -3.257 -5.163 0.892 1.00 43.34 H new ATOM 0 HB VAL A 60 -1.565 -5.180 3.299 1.00 32.54 H new ATOM 0 HG11 VAL A 60 -3.684 -5.919 4.340 1.00 14.14 H new ATOM 0 HG12 VAL A 60 -3.915 -4.489 3.306 1.00 14.14 H new ATOM 0 HG13 VAL A 60 -4.405 -6.098 2.723 1.00 14.14 H new ATOM 0 HG21 VAL A 60 -1.953 -7.549 3.837 1.00 61.45 H new ATOM 0 HG22 VAL A 60 -2.600 -7.806 2.199 1.00 61.45 H new ATOM 0 HG23 VAL A 60 -0.894 -7.350 2.421 1.00 61.45 H new ATOM 910 N LEU A 61 -2.334 -2.864 0.995 1.00 72.02 N ATOM 911 CA LEU A 61 -1.813 -1.521 0.900 1.00 42.11 C ATOM 912 C LEU A 61 -1.913 -0.835 2.263 1.00 2.22 C ATOM 913 O LEU A 61 -3.000 -0.485 2.726 1.00 51.33 O ATOM 914 CB LEU A 61 -2.575 -0.758 -0.197 1.00 31.22 C ATOM 915 CG LEU A 61 -1.949 0.557 -0.662 1.00 40.40 C ATOM 916 CD1 LEU A 61 -2.327 1.684 0.280 1.00 12.53 C ATOM 917 CD2 LEU A 61 -0.433 0.423 -0.767 1.00 21.01 C ATOM 0 H LEU A 61 -3.341 -2.936 0.850 1.00 72.02 H new ATOM 0 HA LEU A 61 -0.759 -1.537 0.621 1.00 42.11 H new ATOM 0 HB2 LEU A 61 -2.678 -1.413 -1.062 1.00 31.22 H new ATOM 0 HB3 LEU A 61 -3.581 -0.549 0.166 1.00 31.22 H new ATOM 0 HG LEU A 61 -2.337 0.794 -1.653 1.00 40.40 H new ATOM 0 HD11 LEU A 61 -1.874 2.614 -0.064 1.00 12.53 H new ATOM 0 HD12 LEU A 61 -3.411 1.794 0.299 1.00 12.53 H new ATOM 0 HD13 LEU A 61 -1.968 1.455 1.283 1.00 12.53 H new ATOM 0 HD21 LEU A 61 -0.006 1.369 -1.099 1.00 21.01 H new ATOM 0 HD22 LEU A 61 -0.022 0.162 0.208 1.00 21.01 H new ATOM 0 HD23 LEU A 61 -0.186 -0.359 -1.485 1.00 21.01 H new ATOM 928 N PHE A 62 -0.763 -0.674 2.895 1.00 53.12 N ATOM 929 CA PHE A 62 -0.662 -0.160 4.253 1.00 40.31 C ATOM 930 C PHE A 62 -0.316 1.328 4.259 1.00 31.13 C ATOM 931 O PHE A 62 0.527 1.783 3.480 1.00 45.43 O ATOM 932 CB PHE A 62 0.409 -0.965 4.999 1.00 55.41 C ATOM 933 CG PHE A 62 0.737 -0.471 6.382 1.00 22.12 C ATOM 934 CD1 PHE A 62 -0.063 -0.802 7.463 1.00 11.23 C ATOM 935 CD2 PHE A 62 1.861 0.307 6.601 1.00 22.22 C ATOM 936 CE1 PHE A 62 0.253 -0.363 8.736 1.00 3.34 C ATOM 937 CE2 PHE A 62 2.180 0.750 7.869 1.00 23.34 C ATOM 938 CZ PHE A 62 1.376 0.414 8.937 1.00 65.51 C ATOM 0 H PHE A 62 0.139 -0.899 2.475 1.00 53.12 H new ATOM 0 HA PHE A 62 -1.625 -0.268 4.751 1.00 40.31 H new ATOM 0 HB2 PHE A 62 0.078 -2.001 5.070 1.00 55.41 H new ATOM 0 HB3 PHE A 62 1.322 -0.963 4.404 1.00 55.41 H new ATOM 0 HD1 PHE A 62 -0.943 -1.409 7.310 1.00 11.23 H new ATOM 0 HD2 PHE A 62 2.497 0.571 5.769 1.00 22.22 H new ATOM 0 HE1 PHE A 62 -0.378 -0.628 9.572 1.00 3.34 H new ATOM 0 HE2 PHE A 62 3.058 1.359 8.024 1.00 23.34 H new ATOM 0 HZ PHE A 62 1.624 0.758 9.930 1.00 65.51 H new ATOM 947 N ALA A 63 -0.972 2.071 5.141 1.00 2.31 N ATOM 948 CA ALA A 63 -0.710 3.491 5.295 1.00 51.35 C ATOM 949 C ALA A 63 0.429 3.721 6.279 1.00 73.41 C ATOM 950 O ALA A 63 0.289 3.460 7.479 1.00 23.33 O ATOM 951 CB ALA A 63 -1.960 4.215 5.765 1.00 43.24 C ATOM 0 H ALA A 63 -1.694 1.708 5.763 1.00 2.31 H new ATOM 0 HA ALA A 63 -0.418 3.891 4.324 1.00 51.35 H new ATOM 0 HB1 ALA A 63 -1.745 5.278 5.875 1.00 43.24 H new ATOM 0 HB2 ALA A 63 -2.756 4.080 5.033 1.00 43.24 H new ATOM 0 HB3 ALA A 63 -2.277 3.808 6.725 1.00 43.24 H new ATOM 957 N VAL A 64 1.549 4.206 5.770 1.00 23.12 N ATOM 958 CA VAL A 64 2.727 4.458 6.590 1.00 14.12 C ATOM 959 C VAL A 64 2.508 5.699 7.456 1.00 32.44 C ATOM 960 O VAL A 64 1.679 6.549 7.124 1.00 65.43 O ATOM 961 CB VAL A 64 3.980 4.644 5.694 1.00 65.44 C ATOM 962 CG1 VAL A 64 5.255 4.778 6.514 1.00 72.42 C ATOM 963 CG2 VAL A 64 4.102 3.482 4.725 1.00 20.23 C ATOM 0 H VAL A 64 1.670 4.436 4.784 1.00 23.12 H new ATOM 0 HA VAL A 64 2.890 3.598 7.240 1.00 14.12 H new ATOM 0 HB VAL A 64 3.851 5.572 5.138 1.00 65.44 H new ATOM 0 HG11 VAL A 64 6.106 4.906 5.845 1.00 72.42 H new ATOM 0 HG12 VAL A 64 5.176 5.644 7.171 1.00 72.42 H new ATOM 0 HG13 VAL A 64 5.398 3.879 7.114 1.00 72.42 H new ATOM 0 HG21 VAL A 64 4.984 3.621 4.100 1.00 20.23 H new ATOM 0 HG22 VAL A 64 4.196 2.551 5.284 1.00 20.23 H new ATOM 0 HG23 VAL A 64 3.214 3.439 4.095 1.00 20.23 H new ATOM 973 N ASN A 65 3.223 5.763 8.583 1.00 31.25 N ATOM 974 CA ASN A 65 3.184 6.899 9.516 1.00 10.44 C ATOM 975 C ASN A 65 1.949 6.853 10.410 1.00 12.04 C ATOM 976 O ASN A 65 2.056 6.983 11.627 1.00 42.40 O ATOM 977 CB ASN A 65 3.258 8.248 8.780 1.00 13.11 C ATOM 978 CG ASN A 65 4.564 8.435 8.026 1.00 30.15 C ATOM 979 OD1 ASN A 65 5.603 7.900 8.412 1.00 43.53 O ATOM 980 ND2 ASN A 65 4.520 9.198 6.943 1.00 65.24 N ATOM 0 H ASN A 65 3.854 5.019 8.879 1.00 31.25 H new ATOM 0 HA ASN A 65 4.067 6.810 10.149 1.00 10.44 H new ATOM 0 HB2 ASN A 65 2.426 8.321 8.080 1.00 13.11 H new ATOM 0 HB3 ASN A 65 3.140 9.057 9.501 1.00 13.11 H new ATOM 0 HD21 ASN A 65 5.367 9.359 6.398 1.00 65.24 H new ATOM 0 HD22 ASN A 65 3.639 9.624 6.655 1.00 65.24 H new ATOM 986 N GLU A 66 0.780 6.659 9.812 1.00 14.45 N ATOM 987 CA GLU A 66 -0.465 6.626 10.571 1.00 4.24 C ATOM 988 C GLU A 66 -0.757 5.210 11.074 1.00 11.41 C ATOM 989 O GLU A 66 -1.516 5.024 12.029 1.00 63.35 O ATOM 990 CB GLU A 66 -1.618 7.145 9.714 1.00 45.33 C ATOM 991 CG GLU A 66 -2.892 7.400 10.503 1.00 64.14 C ATOM 992 CD GLU A 66 -3.985 8.024 9.662 1.00 35.43 C ATOM 993 OE1 GLU A 66 -4.738 7.271 9.016 1.00 62.40 O ATOM 994 OE2 GLU A 66 -4.104 9.263 9.664 1.00 3.21 O ATOM 0 H GLU A 66 0.667 6.523 8.807 1.00 14.45 H new ATOM 0 HA GLU A 66 -0.359 7.275 11.440 1.00 4.24 H new ATOM 0 HB2 GLU A 66 -1.310 8.070 9.227 1.00 45.33 H new ATOM 0 HB3 GLU A 66 -1.827 6.423 8.924 1.00 45.33 H new ATOM 0 HG2 GLU A 66 -3.252 6.459 10.919 1.00 64.14 H new ATOM 0 HG3 GLU A 66 -2.668 8.055 11.345 1.00 64.14 H new ATOM 999 N ASP A 67 -0.137 4.226 10.429 1.00 4.25 N ATOM 1000 CA ASP A 67 -0.234 2.819 10.835 1.00 22.50 C ATOM 1001 C ASP A 67 -1.657 2.286 10.737 1.00 23.31 C ATOM 1002 O ASP A 67 -2.393 2.243 11.725 1.00 41.32 O ATOM 1003 CB ASP A 67 0.308 2.605 12.256 1.00 72.13 C ATOM 1004 CG ASP A 67 1.820 2.673 12.328 1.00 32.21 C ATOM 1005 OD1 ASP A 67 2.385 3.774 12.142 1.00 23.12 O ATOM 1006 OD2 ASP A 67 2.455 1.627 12.573 1.00 45.22 O ATOM 0 H ASP A 67 0.449 4.377 9.608 1.00 4.25 H new ATOM 0 HA ASP A 67 0.384 2.257 10.135 1.00 22.50 H new ATOM 0 HB2 ASP A 67 -0.116 3.359 12.918 1.00 72.13 H new ATOM 0 HB3 ASP A 67 -0.025 1.634 12.624 1.00 72.13 H new ATOM 1010 N LYS A 68 -2.041 1.894 9.530 1.00 3.30 N ATOM 1011 CA LYS A 68 -3.320 1.240 9.292 1.00 2.23 C ATOM 1012 C LYS A 68 -3.347 0.631 7.898 1.00 64.13 C ATOM 1013 O LYS A 68 -2.838 1.220 6.945 1.00 31.12 O ATOM 1014 CB LYS A 68 -4.494 2.213 9.449 1.00 1.34 C ATOM 1015 CG LYS A 68 -4.376 3.479 8.612 1.00 42.42 C ATOM 1016 CD LYS A 68 -5.740 4.094 8.322 1.00 3.14 C ATOM 1017 CE LYS A 68 -6.527 4.397 9.590 1.00 3.41 C ATOM 1018 NZ LYS A 68 -5.841 5.393 10.448 1.00 24.35 N ATOM 0 H LYS A 68 -1.476 2.020 8.690 1.00 3.30 H new ATOM 0 HA LYS A 68 -3.429 0.454 10.040 1.00 2.23 H new ATOM 0 HB2 LYS A 68 -5.416 1.698 9.179 1.00 1.34 H new ATOM 0 HB3 LYS A 68 -4.581 2.493 10.499 1.00 1.34 H new ATOM 0 HG2 LYS A 68 -3.754 4.205 9.136 1.00 42.42 H new ATOM 0 HG3 LYS A 68 -3.874 3.248 7.672 1.00 42.42 H new ATOM 0 HD2 LYS A 68 -5.606 5.014 7.753 1.00 3.14 H new ATOM 0 HD3 LYS A 68 -6.316 3.413 7.695 1.00 3.14 H new ATOM 0 HE2 LYS A 68 -7.516 4.770 9.322 1.00 3.41 H new ATOM 0 HE3 LYS A 68 -6.676 3.475 10.153 1.00 3.41 H new ATOM 0 HZ1 LYS A 68 -6.503 5.746 11.168 1.00 24.35 H new ATOM 0 HZ2 LYS A 68 -5.027 4.946 10.916 1.00 24.35 H new ATOM 0 HZ3 LYS A 68 -5.511 6.187 9.863 1.00 24.35 H new ATOM 1028 N GLU A 69 -3.918 -0.556 7.785 1.00 51.31 N ATOM 1029 CA GLU A 69 -4.099 -1.182 6.488 1.00 51.03 C ATOM 1030 C GLU A 69 -5.265 -0.517 5.771 1.00 54.31 C ATOM 1031 O GLU A 69 -6.359 -0.416 6.322 1.00 72.45 O ATOM 1032 CB GLU A 69 -4.369 -2.686 6.622 1.00 22.01 C ATOM 1033 CG GLU A 69 -3.387 -3.426 7.517 1.00 33.20 C ATOM 1034 CD GLU A 69 -3.785 -3.382 8.979 1.00 13.52 C ATOM 1035 OE1 GLU A 69 -4.564 -4.259 9.411 1.00 35.12 O ATOM 1036 OE2 GLU A 69 -3.332 -2.467 9.699 1.00 63.13 O ATOM 0 H GLU A 69 -4.263 -1.104 8.573 1.00 51.31 H new ATOM 0 HA GLU A 69 -3.180 -1.056 5.915 1.00 51.03 H new ATOM 0 HB2 GLU A 69 -5.376 -2.828 7.014 1.00 22.01 H new ATOM 0 HB3 GLU A 69 -4.347 -3.136 5.630 1.00 22.01 H new ATOM 0 HG2 GLU A 69 -3.318 -4.465 7.194 1.00 33.20 H new ATOM 0 HG3 GLU A 69 -2.395 -2.990 7.401 1.00 33.20 H new ATOM 1041 N LEU A 70 -5.025 -0.051 4.557 1.00 1.11 N ATOM 1042 CA LEU A 70 -6.062 0.621 3.789 1.00 13.43 C ATOM 1043 C LEU A 70 -6.761 -0.357 2.864 1.00 62.12 C ATOM 1044 O LEU A 70 -7.853 -0.847 3.155 1.00 14.02 O ATOM 1045 CB LEU A 70 -5.473 1.754 2.949 1.00 60.20 C ATOM 1046 CG LEU A 70 -4.720 2.832 3.716 1.00 74.21 C ATOM 1047 CD1 LEU A 70 -4.182 3.862 2.744 1.00 25.13 C ATOM 1048 CD2 LEU A 70 -5.622 3.498 4.743 1.00 24.42 C ATOM 0 H LEU A 70 -4.125 -0.125 4.083 1.00 1.11 H new ATOM 0 HA LEU A 70 -6.779 1.032 4.500 1.00 13.43 H new ATOM 0 HB2 LEU A 70 -4.796 1.320 2.213 1.00 60.20 H new ATOM 0 HB3 LEU A 70 -6.283 2.229 2.396 1.00 60.20 H new ATOM 0 HG LEU A 70 -3.890 2.368 4.248 1.00 74.21 H new ATOM 0 HD11 LEU A 70 -3.643 4.634 3.293 1.00 25.13 H new ATOM 0 HD12 LEU A 70 -3.506 3.379 2.039 1.00 25.13 H new ATOM 0 HD13 LEU A 70 -5.010 4.316 2.199 1.00 25.13 H new ATOM 0 HD21 LEU A 70 -5.061 4.264 5.278 1.00 24.42 H new ATOM 0 HD22 LEU A 70 -6.472 3.957 4.238 1.00 24.42 H new ATOM 0 HD23 LEU A 70 -5.981 2.751 5.451 1.00 24.42 H new ATOM 1059 N CYS A 71 -6.112 -0.646 1.753 1.00 31.32 N ATOM 1060 CA CYS A 71 -6.686 -1.488 0.728 1.00 71.11 C ATOM 1061 C CYS A 71 -5.998 -2.843 0.713 1.00 71.52 C ATOM 1062 O CYS A 71 -5.055 -3.080 1.468 1.00 43.33 O ATOM 1063 CB CYS A 71 -6.550 -0.808 -0.636 1.00 12.13 C ATOM 1064 SG CYS A 71 -7.329 0.822 -0.725 1.00 61.25 S ATOM 0 H CYS A 71 -5.175 -0.304 1.538 1.00 31.32 H new ATOM 0 HA CYS A 71 -7.743 -1.640 0.944 1.00 71.11 H new ATOM 0 HB2 CYS A 71 -5.492 -0.707 -0.877 1.00 12.13 H new ATOM 0 HB3 CYS A 71 -6.990 -1.452 -1.397 1.00 12.13 H new ATOM 0 HG CYS A 71 -7.097 1.474 0.375 1.00 61.25 H new ATOM 1069 N HIS A 72 -6.472 -3.718 -0.143 1.00 3.41 N ATOM 1070 CA HIS A 72 -5.893 -5.045 -0.298 1.00 72.33 C ATOM 1071 C HIS A 72 -5.680 -5.329 -1.769 1.00 42.34 C ATOM 1072 O HIS A 72 -5.801 -4.419 -2.590 1.00 71.45 O ATOM 1073 CB HIS A 72 -6.795 -6.118 0.326 1.00 62.15 C ATOM 1074 CG HIS A 72 -8.244 -5.999 -0.067 1.00 12.33 C ATOM 1075 ND1 HIS A 72 -8.696 -6.125 -1.369 1.00 42.23 N ATOM 1076 CD2 HIS A 72 -9.345 -5.748 0.683 1.00 74.00 C ATOM 1077 CE1 HIS A 72 -10.004 -5.955 -1.396 1.00 63.31 C ATOM 1078 NE2 HIS A 72 -10.421 -5.727 -0.166 1.00 0.23 N ATOM 0 H HIS A 72 -7.269 -3.537 -0.754 1.00 3.41 H new ATOM 0 HA HIS A 72 -4.936 -5.073 0.222 1.00 72.33 H new ATOM 0 HB2 HIS A 72 -6.429 -7.102 0.033 1.00 62.15 H new ATOM 0 HB3 HIS A 72 -6.717 -6.059 1.412 1.00 62.15 H new ATOM 0 HD1 HIS A 72 -8.110 -6.319 -2.181 1.00 42.23 H new ATOM 0 HD2 HIS A 72 -9.370 -5.593 1.752 1.00 74.00 H new ATOM 0 HE1 HIS A 72 -10.628 -5.996 -2.277 1.00 63.31 H new ATOM 1085 N TYR A 73 -5.332 -6.576 -2.091 1.00 44.43 N ATOM 1086 CA TYR A 73 -5.209 -7.006 -3.480 1.00 31.23 C ATOM 1087 C TYR A 73 -6.391 -6.495 -4.296 1.00 13.01 C ATOM 1088 O TYR A 73 -7.542 -6.608 -3.862 1.00 22.41 O ATOM 1089 CB TYR A 73 -5.102 -8.532 -3.574 1.00 24.12 C ATOM 1090 CG TYR A 73 -6.312 -9.279 -3.080 1.00 24.34 C ATOM 1091 CD1 TYR A 73 -6.533 -9.474 -1.726 1.00 2.05 C ATOM 1092 CD2 TYR A 73 -7.227 -9.800 -3.977 1.00 1.41 C ATOM 1093 CE1 TYR A 73 -7.641 -10.167 -1.279 1.00 45.23 C ATOM 1094 CE2 TYR A 73 -8.337 -10.492 -3.548 1.00 74.33 C ATOM 1095 CZ TYR A 73 -8.542 -10.675 -2.194 1.00 31.04 C ATOM 1096 OH TYR A 73 -9.649 -11.363 -1.753 1.00 51.03 O ATOM 0 H TYR A 73 -5.131 -7.305 -1.406 1.00 44.43 H new ATOM 0 HA TYR A 73 -4.293 -6.582 -3.892 1.00 31.23 H new ATOM 0 HB2 TYR A 73 -4.922 -8.807 -4.613 1.00 24.12 H new ATOM 0 HB3 TYR A 73 -4.233 -8.858 -3.003 1.00 24.12 H new ATOM 0 HD1 TYR A 73 -5.828 -9.078 -1.010 1.00 2.05 H new ATOM 0 HD2 TYR A 73 -7.067 -9.661 -5.036 1.00 1.41 H new ATOM 0 HE1 TYR A 73 -7.802 -10.311 -0.221 1.00 45.23 H new ATOM 0 HE2 TYR A 73 -9.042 -10.889 -4.264 1.00 74.33 H new ATOM 0 HH TYR A 73 -10.182 -11.653 -2.523 1.00 51.03 H new ATOM 1105 N PHE A 74 -6.085 -5.919 -5.461 1.00 72.24 N ATOM 1106 CA PHE A 74 -7.067 -5.207 -6.280 1.00 44.12 C ATOM 1107 C PHE A 74 -7.450 -3.899 -5.600 1.00 63.52 C ATOM 1108 O PHE A 74 -8.213 -3.885 -4.633 1.00 11.42 O ATOM 1109 CB PHE A 74 -8.308 -6.062 -6.572 1.00 43.02 C ATOM 1110 CG PHE A 74 -8.034 -7.229 -7.479 1.00 65.51 C ATOM 1111 CD1 PHE A 74 -8.021 -7.060 -8.855 1.00 45.03 C ATOM 1112 CD2 PHE A 74 -7.791 -8.490 -6.958 1.00 1.34 C ATOM 1113 CE1 PHE A 74 -7.772 -8.127 -9.695 1.00 51.05 C ATOM 1114 CE2 PHE A 74 -7.541 -9.562 -7.795 1.00 12.41 C ATOM 1115 CZ PHE A 74 -7.532 -9.381 -9.165 1.00 61.33 C ATOM 0 H PHE A 74 -5.148 -5.934 -5.863 1.00 72.24 H new ATOM 0 HA PHE A 74 -6.607 -4.989 -7.244 1.00 44.12 H new ATOM 0 HB2 PHE A 74 -8.714 -6.432 -5.630 1.00 43.02 H new ATOM 0 HB3 PHE A 74 -9.074 -5.433 -7.025 1.00 43.02 H new ATOM 0 HD1 PHE A 74 -8.208 -6.083 -9.275 1.00 45.03 H new ATOM 0 HD2 PHE A 74 -7.797 -8.637 -5.888 1.00 1.34 H new ATOM 0 HE1 PHE A 74 -7.765 -7.982 -10.765 1.00 51.05 H new ATOM 0 HE2 PHE A 74 -7.353 -10.540 -7.378 1.00 12.41 H new ATOM 0 HZ PHE A 74 -7.338 -10.217 -9.820 1.00 61.33 H new ATOM 1124 N LEU A 75 -6.898 -2.809 -6.121 1.00 44.13 N ATOM 1125 CA LEU A 75 -7.010 -1.492 -5.504 1.00 30.32 C ATOM 1126 C LEU A 75 -8.467 -1.111 -5.240 1.00 34.42 C ATOM 1127 O LEU A 75 -9.286 -1.073 -6.161 1.00 35.54 O ATOM 1128 CB LEU A 75 -6.351 -0.445 -6.403 1.00 5.11 C ATOM 1129 CG LEU A 75 -6.053 0.895 -5.734 1.00 23.00 C ATOM 1130 CD1 LEU A 75 -5.071 0.707 -4.587 1.00 63.32 C ATOM 1131 CD2 LEU A 75 -5.494 1.879 -6.747 1.00 40.44 C ATOM 0 H LEU A 75 -6.358 -2.814 -6.986 1.00 44.13 H new ATOM 0 HA LEU A 75 -6.499 -1.528 -4.542 1.00 30.32 H new ATOM 0 HB2 LEU A 75 -5.418 -0.856 -6.787 1.00 5.11 H new ATOM 0 HB3 LEU A 75 -6.999 -0.268 -7.262 1.00 5.11 H new ATOM 0 HG LEU A 75 -6.984 1.297 -5.334 1.00 23.00 H new ATOM 0 HD11 LEU A 75 -4.868 1.671 -4.120 1.00 63.32 H new ATOM 0 HD12 LEU A 75 -5.499 0.029 -3.849 1.00 63.32 H new ATOM 0 HD13 LEU A 75 -4.141 0.286 -4.969 1.00 63.32 H new ATOM 0 HD21 LEU A 75 -5.287 2.829 -6.255 1.00 40.44 H new ATOM 0 HD22 LEU A 75 -4.572 1.481 -7.170 1.00 40.44 H new ATOM 0 HD23 LEU A 75 -6.222 2.034 -7.544 1.00 40.44 H new ATOM 1142 N ASP A 76 -8.780 -0.844 -3.974 1.00 22.12 N ATOM 1143 CA ASP A 76 -10.127 -0.434 -3.575 1.00 72.30 C ATOM 1144 C ASP A 76 -10.363 1.030 -3.937 1.00 31.10 C ATOM 1145 O ASP A 76 -11.505 1.473 -4.068 1.00 14.34 O ATOM 1146 CB ASP A 76 -10.328 -0.650 -2.068 1.00 44.35 C ATOM 1147 CG ASP A 76 -10.217 -2.109 -1.658 1.00 30.35 C ATOM 1148 OD1 ASP A 76 -11.225 -2.841 -1.765 1.00 55.33 O ATOM 1149 OD2 ASP A 76 -9.120 -2.527 -1.224 1.00 11.51 O ATOM 0 H ASP A 76 -8.116 -0.904 -3.202 1.00 22.12 H new ATOM 0 HA ASP A 76 -10.850 -1.047 -4.112 1.00 72.30 H new ATOM 0 HB2 ASP A 76 -9.587 -0.067 -1.521 1.00 44.35 H new ATOM 0 HB3 ASP A 76 -11.308 -0.271 -1.780 1.00 44.35 H new ATOM 1153 N SER A 77 -9.260 1.769 -4.075 1.00 73.52 N ATOM 1154 CA SER A 77 -9.259 3.161 -4.545 1.00 24.30 C ATOM 1155 C SER A 77 -9.838 4.140 -3.515 1.00 35.00 C ATOM 1156 O SER A 77 -9.135 5.045 -3.066 1.00 64.35 O ATOM 1157 CB SER A 77 -9.995 3.284 -5.883 1.00 43.04 C ATOM 1158 OG SER A 77 -9.498 2.345 -6.822 1.00 22.02 O ATOM 0 H SER A 77 -8.328 1.415 -3.861 1.00 73.52 H new ATOM 0 HA SER A 77 -8.215 3.440 -4.688 1.00 24.30 H new ATOM 0 HB2 SER A 77 -11.062 3.123 -5.732 1.00 43.04 H new ATOM 0 HB3 SER A 77 -9.878 4.294 -6.276 1.00 43.04 H new ATOM 0 HG SER A 77 -9.983 2.440 -7.668 1.00 22.02 H new ATOM 1163 N ASP A 78 -11.101 3.959 -3.130 1.00 31.11 N ATOM 1164 CA ASP A 78 -11.760 4.888 -2.203 1.00 3.01 C ATOM 1165 C ASP A 78 -10.996 5.002 -0.895 1.00 52.44 C ATOM 1166 O ASP A 78 -10.799 6.098 -0.372 1.00 63.31 O ATOM 1167 CB ASP A 78 -13.200 4.458 -1.898 1.00 23.42 C ATOM 1168 CG ASP A 78 -14.178 4.788 -3.004 1.00 44.31 C ATOM 1169 OD1 ASP A 78 -14.190 5.949 -3.470 1.00 1.04 O ATOM 1170 OD2 ASP A 78 -14.969 3.897 -3.382 1.00 32.10 O ATOM 0 H ASP A 78 -11.687 3.185 -3.441 1.00 31.11 H new ATOM 0 HA ASP A 78 -11.775 5.858 -2.699 1.00 3.01 H new ATOM 0 HB2 ASP A 78 -13.219 3.383 -1.717 1.00 23.42 H new ATOM 0 HB3 ASP A 78 -13.528 4.942 -0.978 1.00 23.42 H new ATOM 1174 N VAL A 79 -10.561 3.864 -0.378 1.00 11.24 N ATOM 1175 CA VAL A 79 -9.902 3.814 0.919 1.00 52.42 C ATOM 1176 C VAL A 79 -8.553 4.529 0.899 1.00 74.32 C ATOM 1177 O VAL A 79 -8.221 5.261 1.834 1.00 12.33 O ATOM 1178 CB VAL A 79 -9.727 2.362 1.399 1.00 31.05 C ATOM 1179 CG1 VAL A 79 -9.016 2.314 2.744 1.00 43.15 C ATOM 1180 CG2 VAL A 79 -11.083 1.683 1.489 1.00 32.43 C ATOM 0 H VAL A 79 -10.653 2.958 -0.838 1.00 11.24 H new ATOM 0 HA VAL A 79 -10.549 4.338 1.623 1.00 52.42 H new ATOM 0 HB VAL A 79 -9.109 1.829 0.676 1.00 31.05 H new ATOM 0 HG11 VAL A 79 -8.905 1.277 3.060 1.00 43.15 H new ATOM 0 HG12 VAL A 79 -8.031 2.772 2.652 1.00 43.15 H new ATOM 0 HG13 VAL A 79 -9.602 2.858 3.485 1.00 43.15 H new ATOM 0 HG21 VAL A 79 -10.954 0.656 1.829 1.00 32.43 H new ATOM 0 HG22 VAL A 79 -11.714 2.222 2.196 1.00 32.43 H new ATOM 0 HG23 VAL A 79 -11.556 1.683 0.507 1.00 32.43 H new ATOM 1190 N ILE A 80 -7.777 4.335 -0.160 1.00 31.24 N ATOM 1191 CA ILE A 80 -6.503 5.034 -0.270 1.00 64.14 C ATOM 1192 C ILE A 80 -6.736 6.514 -0.556 1.00 24.13 C ATOM 1193 O ILE A 80 -6.013 7.365 -0.049 1.00 3.42 O ATOM 1194 CB ILE A 80 -5.557 4.424 -1.333 1.00 44.00 C ATOM 1195 CG1 ILE A 80 -4.273 5.245 -1.433 1.00 23.25 C ATOM 1196 CG2 ILE A 80 -6.223 4.353 -2.684 1.00 14.34 C ATOM 1197 CD1 ILE A 80 -3.537 5.344 -0.125 1.00 64.23 C ATOM 0 H ILE A 80 -8.000 3.715 -0.938 1.00 31.24 H new ATOM 0 HA ILE A 80 -6.002 4.918 0.691 1.00 64.14 H new ATOM 0 HB ILE A 80 -5.314 3.409 -1.018 1.00 44.00 H new ATOM 0 HG12 ILE A 80 -3.618 4.796 -2.179 1.00 23.25 H new ATOM 0 HG13 ILE A 80 -4.516 6.248 -1.784 1.00 23.25 H new ATOM 0 HG21 ILE A 80 -5.532 3.920 -3.408 1.00 14.34 H new ATOM 0 HG22 ILE A 80 -7.116 3.731 -2.617 1.00 14.34 H new ATOM 0 HG23 ILE A 80 -6.503 5.356 -3.005 1.00 14.34 H new ATOM 0 HD11 ILE A 80 -2.634 5.939 -0.260 1.00 64.23 H new ATOM 0 HD12 ILE A 80 -4.177 5.820 0.618 1.00 64.23 H new ATOM 0 HD13 ILE A 80 -3.266 4.345 0.216 1.00 64.23 H new ATOM 1208 N GLY A 81 -7.758 6.820 -1.345 1.00 21.22 N ATOM 1209 CA GLY A 81 -8.112 8.206 -1.586 1.00 43.42 C ATOM 1210 C GLY A 81 -8.443 8.925 -0.293 1.00 14.41 C ATOM 1211 O GLY A 81 -8.117 10.100 -0.123 1.00 33.51 O ATOM 0 H GLY A 81 -8.346 6.136 -1.821 1.00 21.22 H new ATOM 0 HA2 GLY A 81 -7.286 8.713 -2.085 1.00 43.42 H new ATOM 0 HA3 GLY A 81 -8.968 8.253 -2.260 1.00 43.42 H new ATOM 1215 N ALA A 82 -9.074 8.199 0.622 1.00 22.53 N ATOM 1216 CA ALA A 82 -9.426 8.725 1.931 1.00 21.34 C ATOM 1217 C ALA A 82 -8.176 9.041 2.757 1.00 31.02 C ATOM 1218 O ALA A 82 -8.186 9.943 3.591 1.00 50.14 O ATOM 1219 CB ALA A 82 -10.314 7.727 2.664 1.00 34.31 C ATOM 0 H ALA A 82 -9.355 7.230 0.475 1.00 22.53 H new ATOM 0 HA ALA A 82 -9.973 9.657 1.793 1.00 21.34 H new ATOM 0 HB1 ALA A 82 -10.576 8.125 3.645 1.00 34.31 H new ATOM 0 HB2 ALA A 82 -11.223 7.557 2.087 1.00 34.31 H new ATOM 0 HB3 ALA A 82 -9.779 6.785 2.785 1.00 34.31 H new ATOM 1225 N TYR A 83 -7.106 8.283 2.531 1.00 31.31 N ATOM 1226 CA TYR A 83 -5.845 8.509 3.234 1.00 14.31 C ATOM 1227 C TYR A 83 -4.972 9.522 2.496 1.00 60.24 C ATOM 1228 O TYR A 83 -4.273 10.324 3.114 1.00 34.43 O ATOM 1229 CB TYR A 83 -5.079 7.191 3.401 1.00 74.10 C ATOM 1230 CG TYR A 83 -3.648 7.376 3.863 1.00 51.22 C ATOM 1231 CD1 TYR A 83 -3.351 7.640 5.196 1.00 20.42 C ATOM 1232 CD2 TYR A 83 -2.596 7.298 2.958 1.00 53.32 C ATOM 1233 CE1 TYR A 83 -2.043 7.820 5.610 1.00 41.32 C ATOM 1234 CE2 TYR A 83 -1.288 7.475 3.366 1.00 44.14 C ATOM 1235 CZ TYR A 83 -1.016 7.736 4.690 1.00 74.23 C ATOM 1236 OH TYR A 83 0.288 7.922 5.093 1.00 60.43 O ATOM 0 H TYR A 83 -7.086 7.508 1.868 1.00 31.31 H new ATOM 0 HA TYR A 83 -6.084 8.913 4.218 1.00 14.31 H new ATOM 0 HB2 TYR A 83 -5.606 6.563 4.119 1.00 74.10 H new ATOM 0 HB3 TYR A 83 -5.079 6.657 2.451 1.00 74.10 H new ATOM 0 HD1 TYR A 83 -4.152 7.705 5.917 1.00 20.42 H new ATOM 0 HD2 TYR A 83 -2.805 7.096 1.918 1.00 53.32 H new ATOM 0 HE1 TYR A 83 -1.826 8.025 6.648 1.00 41.32 H new ATOM 0 HE2 TYR A 83 -0.483 7.409 2.650 1.00 44.14 H new ATOM 0 HH TYR A 83 0.492 7.312 5.833 1.00 60.43 H new ATOM 1245 N LEU A 84 -5.012 9.476 1.171 1.00 1.20 N ATOM 1246 CA LEU A 84 -4.163 10.321 0.336 1.00 10.23 C ATOM 1247 C LEU A 84 -4.738 11.726 0.177 1.00 44.53 C ATOM 1248 O LEU A 84 -4.311 12.489 -0.688 1.00 72.13 O ATOM 1249 CB LEU A 84 -3.944 9.663 -1.034 1.00 63.13 C ATOM 1250 CG LEU A 84 -2.519 9.162 -1.298 1.00 0.25 C ATOM 1251 CD1 LEU A 84 -1.589 10.329 -1.589 1.00 51.01 C ATOM 1252 CD2 LEU A 84 -1.994 8.366 -0.117 1.00 43.13 C ATOM 0 H LEU A 84 -5.629 8.857 0.646 1.00 1.20 H new ATOM 0 HA LEU A 84 -3.200 10.423 0.837 1.00 10.23 H new ATOM 0 HB2 LEU A 84 -4.631 8.822 -1.129 1.00 63.13 H new ATOM 0 HB3 LEU A 84 -4.209 10.381 -1.810 1.00 63.13 H new ATOM 0 HG LEU A 84 -2.551 8.508 -2.169 1.00 0.25 H new ATOM 0 HD11 LEU A 84 -0.582 9.955 -1.774 1.00 51.01 H new ATOM 0 HD12 LEU A 84 -1.944 10.866 -2.469 1.00 51.01 H new ATOM 0 HD13 LEU A 84 -1.574 11.004 -0.733 1.00 51.01 H new ATOM 0 HD21 LEU A 84 -0.982 8.023 -0.331 1.00 43.13 H new ATOM 0 HD22 LEU A 84 -1.983 8.997 0.771 1.00 43.13 H new ATOM 0 HD23 LEU A 84 -2.640 7.505 0.058 1.00 43.13 H new ATOM 1263 N SER A 85 -5.706 12.058 1.016 1.00 51.34 N ATOM 1264 CA SER A 85 -6.253 13.401 1.048 1.00 43.03 C ATOM 1265 C SER A 85 -5.304 14.328 1.803 1.00 73.14 C ATOM 1266 O SER A 85 -4.260 13.894 2.286 1.00 0.00 O ATOM 1267 CB SER A 85 -7.633 13.391 1.705 1.00 70.43 C ATOM 1268 OG SER A 85 -8.503 12.487 1.040 1.00 72.34 O ATOM 0 H SER A 85 -6.128 11.413 1.684 1.00 51.34 H new ATOM 0 HA SER A 85 -6.362 13.769 0.028 1.00 43.03 H new ATOM 0 HB2 SER A 85 -7.539 13.108 2.753 1.00 70.43 H new ATOM 0 HB3 SER A 85 -8.058 14.394 1.683 1.00 70.43 H new ATOM 0 HG SER A 85 -8.009 11.676 0.797 1.00 72.34 H new TER 1273 SER A 85