USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 763 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 19 ASN : amide:sc= 1.05 K(o=2.2,f=0.77!) USER MOD Set 1.2: A 56 SER OG : rot 115:sc= 1.2 USER MOD Set 2.1: A 52 TYR OH : rot 180:sc= 0.901 USER MOD Set 2.2: A 68 LYS NZ :NH3+ -166:sc= 2.09 (180deg=0.671) USER MOD Set 3.1: A 20 THR OG1 : rot -60:sc= -0.166 USER MOD Set 3.2: A 24 SER OG : rot -39:sc= 1.06 USER MOD Set 4.1: A 1 SER N :NH3+ 172:sc= 1.23 (180deg=0) USER MOD Set 4.2: A 4 THR OG1 : rot 139:sc= 1.04 USER MOD Single : A 1 SER OG : rot 180:sc= -0.1 USER MOD Single : A 2 SER OG : rot 180:sc= 0.00114 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0161 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0293 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0484 K(o=-0.048,f=-1.2!) USER MOD Single : A 25 MET CE :methyl 165:sc= -0.928 (180deg=-1.4) USER MOD Single : A 27 MET CE :methyl -160:sc= -0.171 (180deg=-0.726) USER MOD Single : A 28 THR OG1 : rot -140:sc= 1.05 USER MOD Single : A 29 LYS NZ :NH3+ -159:sc= -0.122 (180deg=-0.665) USER MOD Single : A 32 SER OG : rot 7:sc=-0.00897 USER MOD Single : A 36 LYS NZ :NH3+ -123:sc= 1.09 (180deg=-0.0429) USER MOD Single : A 37 THR OG1 : rot 0:sc= 0.559 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.45 K(o=-0.45,f=-2.1!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 1.12 K(o=1.1,f=-0.12) USER MOD Single : A 47 ASN : amide:sc= -1.91! C(o=-1.9!,f=-7.5!) USER MOD Single : A 58 SER OG : rot -73:sc= 0.447 USER MOD Single : A 63 HIS : no HD1:sc= -0.471 X(o=-0.47,f=0) USER MOD Single : A 65 TYR OH : rot 165:sc= -0.663 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0891) USER MOD Single : A 81 SER OG : rot 26:sc= 0.817 USER MOD Single : A 86 THR OG1 : rot -51:sc= 1.26 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 91 HIS : no HE2:sc= 1.22 K(o=1.2,f=-4.5!) USER MOD Single : A 92 HIS : no HD1:sc= -0.104 X(o=-0.1,f=-0.072) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.0076) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -8.836 7.894 -17.986 1.00 0.00 N ATOM 2 CA SER A 1 -9.168 9.115 -18.746 1.00 0.00 C ATOM 3 C SER A 1 -9.995 10.055 -17.872 1.00 0.00 C ATOM 4 O SER A 1 -10.366 9.692 -16.753 1.00 0.00 O ATOM 5 CB SER A 1 -9.948 8.732 -20.011 1.00 0.00 C ATOM 6 OG SER A 1 -10.177 9.854 -20.849 1.00 0.00 O ATOM 0 H1 SER A 1 -8.392 7.200 -18.621 1.00 0.00 H new ATOM 0 H2 SER A 1 -8.177 8.132 -17.218 1.00 0.00 H new ATOM 0 H3 SER A 1 -9.705 7.489 -17.583 1.00 0.00 H new ATOM 0 HA SER A 1 -8.251 9.627 -19.038 1.00 0.00 H new ATOM 0 HB2 SER A 1 -9.394 7.973 -20.563 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.903 8.288 -19.729 1.00 0.00 H new ATOM 0 HG SER A 1 -10.674 9.572 -21.645 1.00 0.00 H new ATOM 14 N SER A 2 -10.273 11.254 -18.379 1.00 0.00 N ATOM 15 CA SER A 2 -11.100 12.224 -17.674 1.00 0.00 C ATOM 16 C SER A 2 -12.460 11.614 -17.346 1.00 0.00 C ATOM 17 O SER A 2 -12.884 11.587 -16.191 1.00 0.00 O ATOM 18 CB SER A 2 -11.261 13.475 -18.537 1.00 0.00 C ATOM 19 OG SER A 2 -9.993 13.939 -18.973 1.00 0.00 O ATOM 0 H SER A 2 -9.933 11.577 -19.285 1.00 0.00 H new ATOM 0 HA SER A 2 -10.618 12.502 -16.737 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.890 13.252 -19.399 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.765 14.256 -17.967 1.00 0.00 H new ATOM 0 HG SER A 2 -10.110 14.739 -19.526 1.00 0.00 H new ATOM 25 N GLN A 3 -13.129 11.120 -18.373 1.00 0.00 N ATOM 26 CA GLN A 3 -14.337 10.338 -18.199 1.00 0.00 C ATOM 27 C GLN A 3 -14.169 9.013 -18.929 1.00 0.00 C ATOM 28 O GLN A 3 -14.269 8.947 -20.154 1.00 0.00 O ATOM 29 CB GLN A 3 -15.565 11.098 -18.705 1.00 0.00 C ATOM 30 CG GLN A 3 -15.818 12.390 -17.942 1.00 0.00 C ATOM 31 CD GLN A 3 -17.105 13.079 -18.343 1.00 0.00 C ATOM 32 OE1 GLN A 3 -17.554 12.981 -19.487 1.00 0.00 O ATOM 33 NE2 GLN A 3 -17.709 13.783 -17.400 1.00 0.00 N ATOM 0 H GLN A 3 -12.851 11.250 -19.346 1.00 0.00 H new ATOM 0 HA GLN A 3 -14.498 10.149 -17.138 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -15.434 11.326 -19.763 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -16.442 10.456 -18.624 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -15.847 12.174 -16.874 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -14.983 13.071 -18.107 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -17.303 13.838 -16.466 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -18.581 14.271 -17.607 1.00 0.00 H new ATOM 42 N THR A 4 -13.863 7.979 -18.168 1.00 0.00 N ATOM 43 CA THR A 4 -13.522 6.682 -18.726 1.00 0.00 C ATOM 44 C THR A 4 -14.746 5.770 -18.768 1.00 0.00 C ATOM 45 O THR A 4 -15.697 5.963 -18.007 1.00 0.00 O ATOM 46 CB THR A 4 -12.412 6.018 -17.881 1.00 0.00 C ATOM 47 OG1 THR A 4 -11.421 6.995 -17.525 1.00 0.00 O ATOM 48 CG2 THR A 4 -11.742 4.882 -18.640 1.00 0.00 C ATOM 0 H THR A 4 -13.844 8.013 -17.149 1.00 0.00 H new ATOM 0 HA THR A 4 -13.164 6.833 -19.744 1.00 0.00 H new ATOM 0 HB THR A 4 -12.875 5.609 -16.983 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.146 6.858 -16.595 1.00 0.00 H new ATOM 0 HG21 THR A 4 -10.966 4.436 -18.018 1.00 0.00 H new ATOM 0 HG22 THR A 4 -12.485 4.125 -18.892 1.00 0.00 H new ATOM 0 HG23 THR A 4 -11.295 5.270 -19.555 1.00 0.00 H new ATOM 56 N LEU A 5 -14.739 4.803 -19.681 1.00 0.00 N ATOM 57 CA LEU A 5 -15.776 3.781 -19.713 1.00 0.00 C ATOM 58 C LEU A 5 -15.683 2.927 -18.453 1.00 0.00 C ATOM 59 O LEU A 5 -16.693 2.461 -17.920 1.00 0.00 O ATOM 60 CB LEU A 5 -15.638 2.911 -20.968 1.00 0.00 C ATOM 61 CG LEU A 5 -16.749 1.879 -21.174 1.00 0.00 C ATOM 62 CD1 LEU A 5 -18.107 2.561 -21.250 1.00 0.00 C ATOM 63 CD2 LEU A 5 -16.489 1.067 -22.433 1.00 0.00 C ATOM 0 H LEU A 5 -14.028 4.707 -20.406 1.00 0.00 H new ATOM 0 HA LEU A 5 -16.753 4.263 -19.747 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -15.605 3.564 -21.840 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -14.683 2.388 -20.924 1.00 0.00 H new ATOM 0 HG LEU A 5 -16.754 1.202 -20.319 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -18.883 1.810 -21.397 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -18.295 3.101 -20.322 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -18.116 3.261 -22.086 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -17.287 0.337 -22.567 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -16.458 1.733 -23.295 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -15.535 0.548 -22.341 1.00 0.00 H new ATOM 75 N ASP A 6 -14.455 2.736 -17.983 1.00 0.00 N ATOM 76 CA ASP A 6 -14.218 2.106 -16.694 1.00 0.00 C ATOM 77 C ASP A 6 -14.527 3.120 -15.598 1.00 0.00 C ATOM 78 O ASP A 6 -13.691 3.954 -15.251 1.00 0.00 O ATOM 79 CB ASP A 6 -12.768 1.612 -16.592 1.00 0.00 C ATOM 80 CG ASP A 6 -12.545 0.667 -15.424 1.00 0.00 C ATOM 81 OD1 ASP A 6 -13.308 -0.315 -15.298 1.00 0.00 O ATOM 82 OD2 ASP A 6 -11.579 0.872 -14.654 1.00 0.00 O ATOM 0 H ASP A 6 -13.607 3.010 -18.479 1.00 0.00 H new ATOM 0 HA ASP A 6 -14.866 1.237 -16.581 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -12.496 1.106 -17.519 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -12.104 2.470 -16.490 1.00 0.00 H new ATOM 87 N ARG A 7 -15.762 3.071 -15.113 1.00 0.00 N ATOM 88 CA ARG A 7 -16.286 4.069 -14.184 1.00 0.00 C ATOM 89 C ARG A 7 -15.600 3.987 -12.828 1.00 0.00 C ATOM 90 O ARG A 7 -15.069 4.978 -12.328 1.00 0.00 O ATOM 91 CB ARG A 7 -17.788 3.865 -14.014 1.00 0.00 C ATOM 92 CG ARG A 7 -18.568 3.957 -15.315 1.00 0.00 C ATOM 93 CD ARG A 7 -19.889 3.214 -15.211 1.00 0.00 C ATOM 94 NE ARG A 7 -19.681 1.782 -14.999 1.00 0.00 N ATOM 95 CZ ARG A 7 -20.147 1.103 -13.952 1.00 0.00 C ATOM 96 NH1 ARG A 7 -20.904 1.708 -13.045 1.00 0.00 N ATOM 97 NH2 ARG A 7 -19.869 -0.187 -13.821 1.00 0.00 N ATOM 0 H ARG A 7 -16.430 2.338 -15.352 1.00 0.00 H new ATOM 0 HA ARG A 7 -16.087 5.057 -14.600 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -17.964 2.888 -13.563 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -18.171 4.611 -13.318 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -18.753 5.003 -15.559 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -17.975 3.540 -16.129 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -20.475 3.624 -14.388 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -20.468 3.368 -16.122 1.00 0.00 H new ATOM 0 HE ARG A 7 -19.144 1.270 -15.699 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -21.131 2.697 -13.148 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -21.259 1.184 -12.245 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -19.298 -0.659 -14.522 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -20.226 -0.707 -13.019 1.00 0.00 H new ATOM 111 N ASP A 8 -15.648 2.812 -12.229 1.00 0.00 N ATOM 112 CA ASP A 8 -14.981 2.568 -10.963 1.00 0.00 C ATOM 113 C ASP A 8 -13.706 1.765 -11.196 1.00 0.00 C ATOM 114 O ASP A 8 -13.744 0.547 -11.345 1.00 0.00 O ATOM 115 CB ASP A 8 -15.925 1.848 -9.983 1.00 0.00 C ATOM 116 CG ASP A 8 -16.597 0.620 -10.579 1.00 0.00 C ATOM 117 OD1 ASP A 8 -17.496 0.779 -11.434 1.00 0.00 O ATOM 118 OD2 ASP A 8 -16.243 -0.510 -10.183 1.00 0.00 O ATOM 0 H ASP A 8 -16.147 2.005 -12.603 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.708 3.523 -10.514 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -15.360 1.550 -9.099 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -16.692 2.547 -9.650 1.00 0.00 H new ATOM 123 N PRO A 9 -12.555 2.451 -11.270 1.00 0.00 N ATOM 124 CA PRO A 9 -11.280 1.824 -11.589 1.00 0.00 C ATOM 125 C PRO A 9 -10.521 1.308 -10.365 1.00 0.00 C ATOM 126 O PRO A 9 -10.571 1.895 -9.279 1.00 0.00 O ATOM 127 CB PRO A 9 -10.514 2.967 -12.246 1.00 0.00 C ATOM 128 CG PRO A 9 -11.012 4.205 -11.569 1.00 0.00 C ATOM 129 CD PRO A 9 -12.409 3.905 -11.074 1.00 0.00 C ATOM 0 HA PRO A 9 -11.409 0.936 -12.208 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.439 2.850 -12.113 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.700 3.002 -13.319 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.360 4.481 -10.740 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.020 5.047 -12.261 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.528 4.180 -10.026 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -13.159 4.460 -11.637 1.00 0.00 H new ATOM 137 N THR A 10 -9.831 0.190 -10.546 1.00 0.00 N ATOM 138 CA THR A 10 -8.915 -0.317 -9.539 1.00 0.00 C ATOM 139 C THR A 10 -7.534 0.302 -9.755 1.00 0.00 C ATOM 140 O THR A 10 -6.848 -0.014 -10.727 1.00 0.00 O ATOM 141 CB THR A 10 -8.804 -1.854 -9.598 1.00 0.00 C ATOM 142 OG1 THR A 10 -10.112 -2.443 -9.608 1.00 0.00 O ATOM 143 CG2 THR A 10 -8.021 -2.392 -8.409 1.00 0.00 C ATOM 0 H THR A 10 -9.891 -0.384 -11.387 1.00 0.00 H new ATOM 0 HA THR A 10 -9.303 -0.044 -8.558 1.00 0.00 H new ATOM 0 HB THR A 10 -8.275 -2.116 -10.514 1.00 0.00 H new ATOM 0 HG1 THR A 10 -10.031 -3.419 -9.647 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.958 -3.478 -8.476 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.016 -1.969 -8.414 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.527 -2.114 -7.484 1.00 0.00 H new ATOM 151 N LEU A 11 -7.142 1.188 -8.856 1.00 0.00 N ATOM 152 CA LEU A 11 -5.909 1.943 -9.010 1.00 0.00 C ATOM 153 C LEU A 11 -4.720 1.169 -8.446 1.00 0.00 C ATOM 154 O LEU A 11 -4.810 0.573 -7.372 1.00 0.00 O ATOM 155 CB LEU A 11 -6.046 3.297 -8.308 1.00 0.00 C ATOM 156 CG LEU A 11 -4.872 4.260 -8.494 1.00 0.00 C ATOM 157 CD1 LEU A 11 -4.665 4.576 -9.967 1.00 0.00 C ATOM 158 CD2 LEU A 11 -5.114 5.536 -7.705 1.00 0.00 C ATOM 0 H LEU A 11 -7.663 1.404 -8.006 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.728 2.105 -10.073 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.952 3.783 -8.669 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.182 3.121 -7.241 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.967 3.782 -8.119 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.825 5.262 -10.077 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.455 3.655 -10.511 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.566 5.037 -10.370 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.273 6.215 -7.844 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.028 6.014 -8.058 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.215 5.296 -6.647 1.00 0.00 H new ATOM 170 N THR A 12 -3.618 1.166 -9.182 1.00 0.00 N ATOM 171 CA THR A 12 -2.411 0.485 -8.747 1.00 0.00 C ATOM 172 C THR A 12 -1.407 1.489 -8.178 1.00 0.00 C ATOM 173 O THR A 12 -0.962 2.400 -8.878 1.00 0.00 O ATOM 174 CB THR A 12 -1.772 -0.289 -9.916 1.00 0.00 C ATOM 175 OG1 THR A 12 -2.765 -1.105 -10.558 1.00 0.00 O ATOM 176 CG2 THR A 12 -0.634 -1.170 -9.428 1.00 0.00 C ATOM 0 H THR A 12 -3.537 1.630 -10.087 1.00 0.00 H new ATOM 0 HA THR A 12 -2.684 -0.224 -7.966 1.00 0.00 H new ATOM 0 HB THR A 12 -1.372 0.435 -10.626 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.355 -1.594 -11.302 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.200 -1.705 -10.273 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.131 -0.550 -8.960 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.015 -1.887 -8.701 1.00 0.00 H new ATOM 184 N LEU A 13 -1.059 1.317 -6.910 1.00 0.00 N ATOM 185 CA LEU A 13 -0.172 2.245 -6.217 1.00 0.00 C ATOM 186 C LEU A 13 0.955 1.484 -5.533 1.00 0.00 C ATOM 187 O LEU A 13 0.792 0.323 -5.177 1.00 0.00 O ATOM 188 CB LEU A 13 -0.961 3.048 -5.180 1.00 0.00 C ATOM 189 CG LEU A 13 -2.117 3.874 -5.746 1.00 0.00 C ATOM 190 CD1 LEU A 13 -2.945 4.474 -4.622 1.00 0.00 C ATOM 191 CD2 LEU A 13 -1.587 4.967 -6.663 1.00 0.00 C ATOM 0 H LEU A 13 -1.380 0.537 -6.336 1.00 0.00 H new ATOM 0 HA LEU A 13 0.257 2.930 -6.948 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.357 2.359 -4.434 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.275 3.718 -4.662 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.760 3.215 -6.329 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.763 5.058 -5.044 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.352 3.674 -4.003 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.315 5.121 -4.011 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.421 5.547 -7.058 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.923 5.624 -6.101 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.036 4.515 -7.488 1.00 0.00 H new ATOM 203 N SER A 14 2.091 2.130 -5.348 1.00 0.00 N ATOM 204 CA SER A 14 3.231 1.479 -4.722 1.00 0.00 C ATOM 205 C SER A 14 3.188 1.636 -3.204 1.00 0.00 C ATOM 206 O SER A 14 2.622 2.602 -2.680 1.00 0.00 O ATOM 207 CB SER A 14 4.533 2.045 -5.293 1.00 0.00 C ATOM 208 OG SER A 14 4.463 3.456 -5.425 1.00 0.00 O ATOM 0 H SER A 14 2.251 3.100 -5.620 1.00 0.00 H new ATOM 0 HA SER A 14 3.186 0.413 -4.943 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.365 1.779 -4.642 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.733 1.595 -6.266 1.00 0.00 H new ATOM 0 HG SER A 14 5.308 3.793 -5.790 1.00 0.00 H new ATOM 214 N LEU A 15 3.766 0.667 -2.507 1.00 0.00 N ATOM 215 CA LEU A 15 3.834 0.702 -1.054 1.00 0.00 C ATOM 216 C LEU A 15 5.139 1.348 -0.601 1.00 0.00 C ATOM 217 O LEU A 15 6.196 1.118 -1.193 1.00 0.00 O ATOM 218 CB LEU A 15 3.736 -0.720 -0.489 1.00 0.00 C ATOM 219 CG LEU A 15 3.722 -0.826 1.037 1.00 0.00 C ATOM 220 CD1 LEU A 15 2.420 -0.278 1.600 1.00 0.00 C ATOM 221 CD2 LEU A 15 3.927 -2.267 1.472 1.00 0.00 C ATOM 0 H LEU A 15 4.196 -0.156 -2.928 1.00 0.00 H new ATOM 0 HA LEU A 15 2.998 1.294 -0.680 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.828 -1.183 -0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.577 -1.301 -0.868 1.00 0.00 H new ATOM 0 HG LEU A 15 4.544 -0.227 1.430 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.429 -0.362 2.687 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.314 0.770 1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.582 -0.848 1.199 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.914 -2.324 2.560 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.127 -2.887 1.067 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.887 -2.626 1.101 1.00 0.00 H new ATOM 233 N ILE A 16 5.057 2.172 0.432 1.00 0.00 N ATOM 234 CA ILE A 16 6.238 2.775 1.030 1.00 0.00 C ATOM 235 C ILE A 16 6.254 2.535 2.536 1.00 0.00 C ATOM 236 O ILE A 16 5.223 2.227 3.137 1.00 0.00 O ATOM 237 CB ILE A 16 6.324 4.292 0.745 1.00 0.00 C ATOM 238 CG1 ILE A 16 5.015 4.993 1.125 1.00 0.00 C ATOM 239 CG2 ILE A 16 6.665 4.540 -0.719 1.00 0.00 C ATOM 240 CD1 ILE A 16 5.037 6.492 0.910 1.00 0.00 C ATOM 0 H ILE A 16 4.179 2.440 0.876 1.00 0.00 H new ATOM 0 HA ILE A 16 7.106 2.299 0.574 1.00 0.00 H new ATOM 0 HB ILE A 16 7.121 4.712 1.359 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.201 4.564 0.540 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.796 4.789 2.173 1.00 0.00 H new ATOM 0 HG21 ILE A 16 6.722 5.613 -0.903 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.626 4.081 -0.952 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.892 4.104 -1.352 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.076 6.916 1.202 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.828 6.935 1.516 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.223 6.706 -0.142 1.00 0.00 H new ATOM 252 N ALA A 17 7.423 2.662 3.138 1.00 0.00 N ATOM 253 CA ALA A 17 7.576 2.440 4.567 1.00 0.00 C ATOM 254 C ALA A 17 7.827 3.757 5.283 1.00 0.00 C ATOM 255 O ALA A 17 8.702 4.527 4.886 1.00 0.00 O ATOM 256 CB ALA A 17 8.717 1.470 4.825 1.00 0.00 C ATOM 0 H ALA A 17 8.285 2.919 2.658 1.00 0.00 H new ATOM 0 HA ALA A 17 6.654 2.007 4.956 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.823 1.310 5.898 1.00 0.00 H new ATOM 0 HB2 ALA A 17 8.504 0.519 4.336 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.643 1.883 4.426 1.00 0.00 H new ATOM 262 N LYS A 18 7.062 4.028 6.331 1.00 0.00 N ATOM 263 CA LYS A 18 7.232 5.266 7.074 1.00 0.00 C ATOM 264 C LYS A 18 7.577 4.992 8.531 1.00 0.00 C ATOM 265 O LYS A 18 6.937 4.171 9.194 1.00 0.00 O ATOM 266 CB LYS A 18 5.982 6.148 6.974 1.00 0.00 C ATOM 267 CG LYS A 18 5.697 6.629 5.559 1.00 0.00 C ATOM 268 CD LYS A 18 4.641 7.724 5.530 1.00 0.00 C ATOM 269 CE LYS A 18 4.344 8.162 4.104 1.00 0.00 C ATOM 270 NZ LYS A 18 3.437 9.339 4.048 1.00 0.00 N ATOM 0 H LYS A 18 6.326 3.415 6.682 1.00 0.00 H new ATOM 0 HA LYS A 18 8.066 5.805 6.624 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.121 5.589 7.341 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.102 7.012 7.627 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.618 7.002 5.111 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.364 5.788 4.951 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.726 7.364 6.001 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.984 8.579 6.112 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.279 8.404 3.599 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.893 7.333 3.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.266 9.598 3.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.533 9.103 4.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.877 10.140 4.544 1.00 0.00 H new ATOM 284 N ASN A 19 8.609 5.689 8.999 1.00 0.00 N ATOM 285 CA ASN A 19 9.094 5.590 10.372 1.00 0.00 C ATOM 286 C ASN A 19 9.578 4.178 10.695 1.00 0.00 C ATOM 287 O ASN A 19 9.254 3.621 11.744 1.00 0.00 O ATOM 288 CB ASN A 19 8.020 6.027 11.374 1.00 0.00 C ATOM 289 CG ASN A 19 8.602 6.298 12.750 1.00 0.00 C ATOM 290 OD1 ASN A 19 9.757 6.711 12.878 1.00 0.00 O ATOM 291 ND2 ASN A 19 7.821 6.055 13.789 1.00 0.00 N ATOM 0 H ASN A 19 9.139 6.347 8.427 1.00 0.00 H new ATOM 0 HA ASN A 19 9.943 6.268 10.461 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.525 6.926 11.006 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.257 5.252 11.449 1.00 0.00 H new ATOM 0 HD21 ASN A 19 8.169 6.209 14.735 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.871 5.714 13.644 1.00 0.00 H new ATOM 298 N THR A 20 10.363 3.600 9.798 1.00 0.00 N ATOM 299 CA THR A 20 10.985 2.319 10.080 1.00 0.00 C ATOM 300 C THR A 20 12.208 2.539 10.971 1.00 0.00 C ATOM 301 O THR A 20 12.945 3.516 10.795 1.00 0.00 O ATOM 302 CB THR A 20 11.380 1.558 8.785 1.00 0.00 C ATOM 303 OG1 THR A 20 11.740 0.203 9.090 1.00 0.00 O ATOM 304 CG2 THR A 20 12.538 2.222 8.058 1.00 0.00 C ATOM 0 H THR A 20 10.581 3.992 8.882 1.00 0.00 H new ATOM 0 HA THR A 20 10.257 1.695 10.598 1.00 0.00 H new ATOM 0 HB THR A 20 10.508 1.578 8.132 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.506 0.198 9.701 1.00 0.00 H new ATOM 0 HG21 THR A 20 12.777 1.653 7.159 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.259 3.238 7.781 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.410 2.251 8.712 1.00 0.00 H new ATOM 312 N PRO A 21 12.401 1.674 11.979 1.00 0.00 N ATOM 313 CA PRO A 21 13.544 1.762 12.894 1.00 0.00 C ATOM 314 C PRO A 21 14.884 1.829 12.161 1.00 0.00 C ATOM 315 O PRO A 21 15.061 1.238 11.091 1.00 0.00 O ATOM 316 CB PRO A 21 13.440 0.480 13.721 1.00 0.00 C ATOM 317 CG PRO A 21 11.995 0.126 13.681 1.00 0.00 C ATOM 318 CD PRO A 21 11.505 0.554 12.325 1.00 0.00 C ATOM 0 HA PRO A 21 13.513 2.672 13.493 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.055 -0.315 13.299 1.00 0.00 H new ATOM 0 HB3 PRO A 21 13.781 0.639 14.744 1.00 0.00 H new ATOM 0 HG2 PRO A 21 11.850 -0.944 13.829 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.446 0.634 14.474 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.574 -0.256 11.598 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.462 0.868 12.355 1.00 0.00 H new ATOM 326 N ALA A 22 15.824 2.553 12.750 1.00 0.00 N ATOM 327 CA ALA A 22 17.127 2.779 12.139 1.00 0.00 C ATOM 328 C ALA A 22 17.897 1.477 11.948 1.00 0.00 C ATOM 329 O ALA A 22 18.614 1.306 10.962 1.00 0.00 O ATOM 330 CB ALA A 22 17.935 3.749 12.986 1.00 0.00 C ATOM 0 H ALA A 22 15.707 2.999 13.660 1.00 0.00 H new ATOM 0 HA ALA A 22 16.962 3.210 11.151 1.00 0.00 H new ATOM 0 HB1 ALA A 22 18.908 3.913 12.523 1.00 0.00 H new ATOM 0 HB2 ALA A 22 17.403 4.698 13.060 1.00 0.00 H new ATOM 0 HB3 ALA A 22 18.074 3.333 13.984 1.00 0.00 H new ATOM 336 N ASN A 23 17.743 0.554 12.886 1.00 0.00 N ATOM 337 CA ASN A 23 18.490 -0.696 12.844 1.00 0.00 C ATOM 338 C ASN A 23 17.644 -1.845 12.308 1.00 0.00 C ATOM 339 O ASN A 23 17.970 -3.018 12.511 1.00 0.00 O ATOM 340 CB ASN A 23 19.048 -1.034 14.229 1.00 0.00 C ATOM 341 CG ASN A 23 20.182 -0.106 14.626 1.00 0.00 C ATOM 342 OD1 ASN A 23 20.929 0.376 13.775 1.00 0.00 O ATOM 343 ND2 ASN A 23 20.328 0.141 15.916 1.00 0.00 N ATOM 0 H ASN A 23 17.111 0.645 13.682 1.00 0.00 H new ATOM 0 HA ASN A 23 19.323 -0.558 12.155 1.00 0.00 H new ATOM 0 HB2 ASN A 23 18.249 -0.968 14.968 1.00 0.00 H new ATOM 0 HB3 ASN A 23 19.403 -2.064 14.235 1.00 0.00 H new ATOM 0 HD21 ASN A 23 21.081 0.750 16.237 1.00 0.00 H new ATOM 0 HD22 ASN A 23 19.688 -0.278 16.591 1.00 0.00 H new ATOM 350 N SER A 24 16.578 -1.510 11.595 1.00 0.00 N ATOM 351 CA SER A 24 15.759 -2.511 10.937 1.00 0.00 C ATOM 352 C SER A 24 15.945 -2.391 9.432 1.00 0.00 C ATOM 353 O SER A 24 15.824 -1.304 8.866 1.00 0.00 O ATOM 354 CB SER A 24 14.282 -2.359 11.313 1.00 0.00 C ATOM 355 OG SER A 24 13.775 -1.095 10.927 1.00 0.00 O ATOM 0 H SER A 24 16.262 -0.550 11.459 1.00 0.00 H new ATOM 0 HA SER A 24 16.075 -3.500 11.268 1.00 0.00 H new ATOM 0 HB2 SER A 24 13.701 -3.147 10.834 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.165 -2.486 12.389 1.00 0.00 H new ATOM 0 HG SER A 24 14.452 -0.406 11.094 1.00 0.00 H new ATOM 361 N MET A 25 16.270 -3.498 8.802 1.00 0.00 N ATOM 362 CA MET A 25 16.564 -3.514 7.383 1.00 0.00 C ATOM 363 C MET A 25 15.488 -4.286 6.631 1.00 0.00 C ATOM 364 O MET A 25 15.188 -5.430 6.963 1.00 0.00 O ATOM 365 CB MET A 25 17.941 -4.139 7.167 1.00 0.00 C ATOM 366 CG MET A 25 18.310 -4.365 5.709 1.00 0.00 C ATOM 367 SD MET A 25 19.930 -5.141 5.520 1.00 0.00 S ATOM 368 CE MET A 25 19.707 -6.619 6.510 1.00 0.00 C ATOM 0 H MET A 25 16.338 -4.409 9.255 1.00 0.00 H new ATOM 0 HA MET A 25 16.573 -2.495 6.996 1.00 0.00 H new ATOM 0 HB2 MET A 25 18.693 -3.496 7.623 1.00 0.00 H new ATOM 0 HB3 MET A 25 17.978 -5.094 7.690 1.00 0.00 H new ATOM 0 HG2 MET A 25 17.553 -4.992 5.239 1.00 0.00 H new ATOM 0 HG3 MET A 25 18.304 -3.410 5.184 1.00 0.00 H new ATOM 0 HE1 MET A 25 20.503 -7.329 6.288 1.00 0.00 H new ATOM 0 HE2 MET A 25 19.739 -6.357 7.568 1.00 0.00 H new ATOM 0 HE3 MET A 25 18.743 -7.071 6.278 1.00 0.00 H new ATOM 378 N ILE A 26 14.912 -3.658 5.624 1.00 0.00 N ATOM 379 CA ILE A 26 13.813 -4.256 4.887 1.00 0.00 C ATOM 380 C ILE A 26 14.346 -5.173 3.787 1.00 0.00 C ATOM 381 O ILE A 26 14.960 -4.710 2.825 1.00 0.00 O ATOM 382 CB ILE A 26 12.899 -3.175 4.265 1.00 0.00 C ATOM 383 CG1 ILE A 26 12.584 -2.087 5.297 1.00 0.00 C ATOM 384 CG2 ILE A 26 11.613 -3.807 3.755 1.00 0.00 C ATOM 385 CD1 ILE A 26 11.751 -0.947 4.749 1.00 0.00 C ATOM 0 H ILE A 26 15.187 -2.732 5.296 1.00 0.00 H new ATOM 0 HA ILE A 26 13.223 -4.842 5.592 1.00 0.00 H new ATOM 0 HB ILE A 26 13.421 -2.716 3.425 1.00 0.00 H new ATOM 0 HG12 ILE A 26 12.057 -2.538 6.138 1.00 0.00 H new ATOM 0 HG13 ILE A 26 13.520 -1.686 5.686 1.00 0.00 H new ATOM 0 HG21 ILE A 26 10.977 -3.037 3.319 1.00 0.00 H new ATOM 0 HG22 ILE A 26 11.850 -4.554 2.997 1.00 0.00 H new ATOM 0 HG23 ILE A 26 11.089 -4.284 4.583 1.00 0.00 H new ATOM 0 HD11 ILE A 26 11.569 -0.217 5.538 1.00 0.00 H new ATOM 0 HD12 ILE A 26 12.285 -0.469 3.928 1.00 0.00 H new ATOM 0 HD13 ILE A 26 10.799 -1.334 4.386 1.00 0.00 H new ATOM 397 N MET A 27 14.129 -6.472 3.949 1.00 0.00 N ATOM 398 CA MET A 27 14.568 -7.449 2.957 1.00 0.00 C ATOM 399 C MET A 27 13.547 -7.563 1.836 1.00 0.00 C ATOM 400 O MET A 27 13.902 -7.627 0.660 1.00 0.00 O ATOM 401 CB MET A 27 14.782 -8.822 3.604 1.00 0.00 C ATOM 402 CG MET A 27 15.948 -8.864 4.576 1.00 0.00 C ATOM 403 SD MET A 27 17.528 -8.507 3.782 1.00 0.00 S ATOM 404 CE MET A 27 17.632 -9.852 2.601 1.00 0.00 C ATOM 0 H MET A 27 13.653 -6.874 4.756 1.00 0.00 H new ATOM 0 HA MET A 27 15.516 -7.106 2.542 1.00 0.00 H new ATOM 0 HB2 MET A 27 13.872 -9.112 4.129 1.00 0.00 H new ATOM 0 HB3 MET A 27 14.947 -9.561 2.820 1.00 0.00 H new ATOM 0 HG2 MET A 27 15.776 -8.143 5.375 1.00 0.00 H new ATOM 0 HG3 MET A 27 15.994 -9.849 5.040 1.00 0.00 H new ATOM 0 HE1 MET A 27 18.669 -9.986 2.292 1.00 0.00 H new ATOM 0 HE2 MET A 27 17.269 -10.770 3.063 1.00 0.00 H new ATOM 0 HE3 MET A 27 17.021 -9.619 1.729 1.00 0.00 H new ATOM 414 N THR A 28 12.282 -7.586 2.214 1.00 0.00 N ATOM 415 CA THR A 28 11.195 -7.679 1.258 1.00 0.00 C ATOM 416 C THR A 28 10.998 -6.352 0.534 1.00 0.00 C ATOM 417 O THR A 28 10.879 -5.307 1.172 1.00 0.00 O ATOM 418 CB THR A 28 9.886 -8.053 1.976 1.00 0.00 C ATOM 419 OG1 THR A 28 10.126 -9.136 2.881 1.00 0.00 O ATOM 420 CG2 THR A 28 8.807 -8.452 0.982 1.00 0.00 C ATOM 0 H THR A 28 11.981 -7.541 3.187 1.00 0.00 H new ATOM 0 HA THR A 28 11.452 -8.451 0.532 1.00 0.00 H new ATOM 0 HB THR A 28 9.538 -7.179 2.526 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.373 -9.762 2.849 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.895 -8.711 1.520 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.607 -7.619 0.308 1.00 0.00 H new ATOM 0 HG23 THR A 28 9.144 -9.313 0.405 1.00 0.00 H new ATOM 428 N LYS A 29 10.989 -6.380 -0.789 1.00 0.00 N ATOM 429 CA LYS A 29 10.661 -5.185 -1.544 1.00 0.00 C ATOM 430 C LYS A 29 9.177 -4.890 -1.416 1.00 0.00 C ATOM 431 O LYS A 29 8.349 -5.804 -1.425 1.00 0.00 O ATOM 432 CB LYS A 29 11.070 -5.305 -3.012 1.00 0.00 C ATOM 433 CG LYS A 29 12.555 -5.085 -3.237 1.00 0.00 C ATOM 434 CD LYS A 29 12.863 -4.822 -4.699 1.00 0.00 C ATOM 435 CE LYS A 29 14.306 -4.382 -4.897 1.00 0.00 C ATOM 436 NZ LYS A 29 14.634 -3.166 -4.105 1.00 0.00 N ATOM 0 H LYS A 29 11.201 -7.203 -1.353 1.00 0.00 H new ATOM 0 HA LYS A 29 11.229 -4.354 -1.126 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.796 -6.294 -3.380 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.508 -4.579 -3.600 1.00 0.00 H new ATOM 0 HG2 LYS A 29 12.894 -4.242 -2.635 1.00 0.00 H new ATOM 0 HG3 LYS A 29 13.109 -5.961 -2.899 1.00 0.00 H new ATOM 0 HD2 LYS A 29 12.675 -5.725 -5.279 1.00 0.00 H new ATOM 0 HD3 LYS A 29 12.192 -4.052 -5.080 1.00 0.00 H new ATOM 0 HE2 LYS A 29 14.975 -5.193 -4.609 1.00 0.00 H new ATOM 0 HE3 LYS A 29 14.482 -4.184 -5.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 15.467 -2.698 -4.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 13.826 -2.512 -4.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 14.839 -3.437 -3.122 1.00 0.00 H new ATOM 450 N LEU A 30 8.858 -3.616 -1.279 1.00 0.00 N ATOM 451 CA LEU A 30 7.499 -3.183 -1.002 1.00 0.00 C ATOM 452 C LEU A 30 6.611 -3.365 -2.231 1.00 0.00 C ATOM 453 O LEU A 30 6.838 -2.739 -3.267 1.00 0.00 O ATOM 454 CB LEU A 30 7.517 -1.726 -0.540 1.00 0.00 C ATOM 455 CG LEU A 30 8.390 -1.465 0.693 1.00 0.00 C ATOM 456 CD1 LEU A 30 8.518 0.023 0.965 1.00 0.00 C ATOM 457 CD2 LEU A 30 7.819 -2.175 1.910 1.00 0.00 C ATOM 0 H LEU A 30 9.531 -2.853 -1.356 1.00 0.00 H new ATOM 0 HA LEU A 30 7.079 -3.798 -0.206 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.871 -1.102 -1.360 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.496 -1.414 -0.320 1.00 0.00 H new ATOM 0 HG LEU A 30 9.385 -1.861 0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.142 0.180 1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.974 0.512 0.104 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.529 0.447 1.141 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.451 -1.979 2.776 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.811 -1.808 2.106 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.784 -3.248 1.722 1.00 0.00 H new ATOM 469 N PRO A 31 5.599 -4.246 -2.129 1.00 0.00 N ATOM 470 CA PRO A 31 4.728 -4.608 -3.255 1.00 0.00 C ATOM 471 C PRO A 31 3.871 -3.450 -3.763 1.00 0.00 C ATOM 472 O PRO A 31 3.826 -2.372 -3.166 1.00 0.00 O ATOM 473 CB PRO A 31 3.824 -5.712 -2.683 1.00 0.00 C ATOM 474 CG PRO A 31 4.497 -6.168 -1.435 1.00 0.00 C ATOM 475 CD PRO A 31 5.228 -4.972 -0.904 1.00 0.00 C ATOM 0 HA PRO A 31 5.322 -4.914 -4.116 1.00 0.00 H new ATOM 0 HB2 PRO A 31 2.824 -5.332 -2.474 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.711 -6.533 -3.391 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.770 -6.535 -0.711 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.185 -6.988 -1.639 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.596 -4.369 -0.252 1.00 0.00 H new ATOM 0 HD3 PRO A 31 6.104 -5.259 -0.323 1.00 0.00 H new ATOM 483 N SER A 32 3.188 -3.691 -4.870 1.00 0.00 N ATOM 484 CA SER A 32 2.305 -2.708 -5.463 1.00 0.00 C ATOM 485 C SER A 32 0.857 -3.071 -5.137 1.00 0.00 C ATOM 486 O SER A 32 0.412 -4.193 -5.400 1.00 0.00 O ATOM 487 CB SER A 32 2.533 -2.663 -6.978 1.00 0.00 C ATOM 488 OG SER A 32 1.930 -1.525 -7.570 1.00 0.00 O ATOM 0 H SER A 32 3.232 -4.573 -5.380 1.00 0.00 H new ATOM 0 HA SER A 32 2.516 -1.719 -5.055 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.603 -2.655 -7.184 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.128 -3.567 -7.433 1.00 0.00 H new ATOM 0 HG SER A 32 1.586 -0.934 -6.868 1.00 0.00 H new ATOM 494 N VAL A 33 0.134 -2.132 -4.551 1.00 0.00 N ATOM 495 CA VAL A 33 -1.231 -2.375 -4.117 1.00 0.00 C ATOM 496 C VAL A 33 -2.217 -2.026 -5.226 1.00 0.00 C ATOM 497 O VAL A 33 -1.931 -1.196 -6.091 1.00 0.00 O ATOM 498 CB VAL A 33 -1.582 -1.567 -2.844 1.00 0.00 C ATOM 499 CG1 VAL A 33 -0.559 -1.820 -1.748 1.00 0.00 C ATOM 500 CG2 VAL A 33 -1.685 -0.078 -3.142 1.00 0.00 C ATOM 0 H VAL A 33 0.473 -1.188 -4.364 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.307 -3.436 -3.881 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.557 -1.907 -2.496 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.824 -1.243 -0.862 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.547 -2.881 -1.499 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.429 -1.518 -2.096 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.933 0.460 -2.227 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.732 0.283 -3.528 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.465 0.091 -3.885 1.00 0.00 H new ATOM 510 N ARG A 34 -3.367 -2.669 -5.203 1.00 0.00 N ATOM 511 CA ARG A 34 -4.413 -2.403 -6.174 1.00 0.00 C ATOM 512 C ARG A 34 -5.727 -2.175 -5.453 1.00 0.00 C ATOM 513 O ARG A 34 -6.374 -3.117 -4.995 1.00 0.00 O ATOM 514 CB ARG A 34 -4.530 -3.558 -7.168 1.00 0.00 C ATOM 515 CG ARG A 34 -3.344 -3.660 -8.112 1.00 0.00 C ATOM 516 CD ARG A 34 -3.351 -4.965 -8.887 1.00 0.00 C ATOM 517 NE ARG A 34 -4.584 -5.160 -9.648 1.00 0.00 N ATOM 518 CZ ARG A 34 -4.945 -6.331 -10.169 1.00 0.00 C ATOM 519 NH1 ARG A 34 -4.164 -7.394 -10.016 1.00 0.00 N ATOM 520 NH2 ARG A 34 -6.084 -6.450 -10.836 1.00 0.00 N ATOM 0 H ARG A 34 -3.603 -3.386 -4.517 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.159 -1.505 -6.737 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.629 -4.494 -6.617 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.442 -3.434 -7.753 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.362 -2.823 -8.810 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.418 -3.581 -7.542 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.501 -4.983 -9.569 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.221 -5.796 -8.194 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.199 -4.358 -9.787 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.288 -7.313 -9.500 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.440 -8.291 -10.415 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.693 -5.640 -10.954 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.352 -7.351 -11.231 1.00 0.00 H new ATOM 534 N VAL A 35 -6.102 -0.917 -5.328 1.00 0.00 N ATOM 535 CA VAL A 35 -7.284 -0.550 -4.575 1.00 0.00 C ATOM 536 C VAL A 35 -8.428 -0.186 -5.507 1.00 0.00 C ATOM 537 O VAL A 35 -8.240 0.529 -6.490 1.00 0.00 O ATOM 538 CB VAL A 35 -6.997 0.622 -3.608 1.00 0.00 C ATOM 539 CG1 VAL A 35 -5.938 0.216 -2.597 1.00 0.00 C ATOM 540 CG2 VAL A 35 -6.555 1.868 -4.364 1.00 0.00 C ATOM 0 H VAL A 35 -5.602 -0.129 -5.740 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.574 -1.418 -3.983 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.921 0.861 -3.082 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.743 1.048 -1.920 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.291 -0.642 -2.025 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.019 -0.050 -3.120 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.361 2.674 -3.656 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.646 1.650 -4.924 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.342 2.173 -5.054 1.00 0.00 H new ATOM 550 N LYS A 36 -9.613 -0.690 -5.214 1.00 0.00 N ATOM 551 CA LYS A 36 -10.767 -0.391 -6.031 1.00 0.00 C ATOM 552 C LYS A 36 -11.351 0.937 -5.590 1.00 0.00 C ATOM 553 O LYS A 36 -11.699 1.106 -4.424 1.00 0.00 O ATOM 554 CB LYS A 36 -11.816 -1.499 -5.919 1.00 0.00 C ATOM 555 CG LYS A 36 -13.002 -1.304 -6.849 1.00 0.00 C ATOM 556 CD LYS A 36 -14.040 -2.399 -6.675 1.00 0.00 C ATOM 557 CE LYS A 36 -15.215 -2.196 -7.616 1.00 0.00 C ATOM 558 NZ LYS A 36 -14.819 -2.339 -9.043 1.00 0.00 N ATOM 0 H LYS A 36 -9.798 -1.304 -4.421 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.461 -0.329 -7.075 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.346 -2.458 -6.138 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.174 -1.547 -4.891 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -13.460 -0.334 -6.655 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.656 -1.292 -7.882 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -13.583 -3.370 -6.864 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -14.394 -2.408 -5.644 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -15.996 -2.920 -7.382 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -15.641 -1.205 -7.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -15.063 -1.470 -9.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.794 -2.502 -9.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -15.323 -3.145 -9.464 1.00 0.00 H new ATOM 572 N THR A 37 -11.424 1.883 -6.506 1.00 0.00 N ATOM 573 CA THR A 37 -11.949 3.200 -6.194 1.00 0.00 C ATOM 574 C THR A 37 -13.134 3.526 -7.088 1.00 0.00 C ATOM 575 O THR A 37 -13.267 2.964 -8.172 1.00 0.00 O ATOM 576 CB THR A 37 -10.863 4.286 -6.357 1.00 0.00 C ATOM 577 OG1 THR A 37 -10.194 4.135 -7.618 1.00 0.00 O ATOM 578 CG2 THR A 37 -9.845 4.215 -5.228 1.00 0.00 C ATOM 0 H THR A 37 -11.126 1.765 -7.474 1.00 0.00 H new ATOM 0 HA THR A 37 -12.275 3.188 -5.154 1.00 0.00 H new ATOM 0 HB THR A 37 -11.354 5.258 -6.322 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.579 3.376 -8.104 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.092 4.991 -5.368 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.349 4.366 -4.273 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.364 3.237 -5.233 1.00 0.00 H new ATOM 586 N GLU A 38 -14.003 4.407 -6.623 1.00 0.00 N ATOM 587 CA GLU A 38 -15.127 4.859 -7.424 1.00 0.00 C ATOM 588 C GLU A 38 -15.067 6.371 -7.606 1.00 0.00 C ATOM 589 O GLU A 38 -15.077 7.129 -6.632 1.00 0.00 O ATOM 590 CB GLU A 38 -16.459 4.451 -6.787 1.00 0.00 C ATOM 591 CG GLU A 38 -16.613 4.897 -5.342 1.00 0.00 C ATOM 592 CD GLU A 38 -18.001 5.417 -5.042 1.00 0.00 C ATOM 593 OE1 GLU A 38 -18.891 4.604 -4.720 1.00 0.00 O ATOM 594 OE2 GLU A 38 -18.213 6.645 -5.142 1.00 0.00 O ATOM 0 H GLU A 38 -13.951 4.824 -5.694 1.00 0.00 H new ATOM 0 HA GLU A 38 -15.062 4.381 -8.402 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -17.275 4.870 -7.375 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -16.556 3.366 -6.835 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -16.391 4.059 -4.681 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -15.882 5.676 -5.125 1.00 0.00 H new ATOM 601 N GLY A 39 -14.972 6.802 -8.852 1.00 0.00 N ATOM 602 CA GLY A 39 -14.932 8.216 -9.139 1.00 0.00 C ATOM 603 C GLY A 39 -14.018 8.533 -10.298 1.00 0.00 C ATOM 604 O GLY A 39 -13.260 7.676 -10.750 1.00 0.00 O ATOM 0 H GLY A 39 -14.922 6.196 -9.671 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -15.938 8.569 -9.364 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.596 8.756 -8.254 1.00 0.00 H new ATOM 608 N TYR A 40 -14.085 9.764 -10.774 1.00 0.00 N ATOM 609 CA TYR A 40 -13.266 10.191 -11.898 1.00 0.00 C ATOM 610 C TYR A 40 -12.011 10.883 -11.392 1.00 0.00 C ATOM 611 O TYR A 40 -12.071 11.691 -10.463 1.00 0.00 O ATOM 612 CB TYR A 40 -14.056 11.134 -12.811 1.00 0.00 C ATOM 613 CG TYR A 40 -15.299 10.508 -13.403 1.00 0.00 C ATOM 614 CD1 TYR A 40 -15.246 9.812 -14.604 1.00 0.00 C ATOM 615 CD2 TYR A 40 -16.526 10.610 -12.758 1.00 0.00 C ATOM 616 CE1 TYR A 40 -16.381 9.241 -15.148 1.00 0.00 C ATOM 617 CE2 TYR A 40 -17.664 10.041 -13.294 1.00 0.00 C ATOM 618 CZ TYR A 40 -17.587 9.357 -14.488 1.00 0.00 C ATOM 619 OH TYR A 40 -18.721 8.789 -15.023 1.00 0.00 O ATOM 0 H TYR A 40 -14.699 10.488 -10.400 1.00 0.00 H new ATOM 0 HA TYR A 40 -12.980 9.311 -12.475 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -14.341 12.020 -12.244 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -13.408 11.469 -13.621 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -14.303 9.716 -15.121 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -16.590 11.144 -11.821 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -16.324 8.707 -16.085 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -18.610 10.131 -12.780 1.00 0.00 H new ATOM 0 HH TYR A 40 -19.484 8.963 -14.432 1.00 0.00 H new ATOM 629 N ASN A 41 -10.876 10.568 -12.000 1.00 0.00 N ATOM 630 CA ASN A 41 -9.602 11.136 -11.569 1.00 0.00 C ATOM 631 C ASN A 41 -8.808 11.748 -12.728 1.00 0.00 C ATOM 632 O ASN A 41 -7.644 11.402 -12.932 1.00 0.00 O ATOM 633 CB ASN A 41 -8.758 10.062 -10.865 1.00 0.00 C ATOM 634 CG ASN A 41 -8.634 8.765 -11.656 1.00 0.00 C ATOM 635 OD1 ASN A 41 -8.665 8.753 -12.887 1.00 0.00 O ATOM 636 ND2 ASN A 41 -8.495 7.657 -10.944 1.00 0.00 N ATOM 0 H ASN A 41 -10.809 9.926 -12.790 1.00 0.00 H new ATOM 0 HA ASN A 41 -9.830 11.943 -10.873 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.761 10.460 -10.679 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -9.201 9.844 -9.893 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -8.409 6.756 -11.414 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -8.473 7.705 -9.925 1.00 0.00 H new ATOM 643 N PRO A 42 -9.397 12.691 -13.489 1.00 0.00 N ATOM 644 CA PRO A 42 -8.696 13.327 -14.603 1.00 0.00 C ATOM 645 C PRO A 42 -7.536 14.198 -14.126 1.00 0.00 C ATOM 646 O PRO A 42 -6.386 13.981 -14.508 1.00 0.00 O ATOM 647 CB PRO A 42 -9.770 14.183 -15.276 1.00 0.00 C ATOM 648 CG PRO A 42 -10.807 14.410 -14.231 1.00 0.00 C ATOM 649 CD PRO A 42 -10.770 13.209 -13.330 1.00 0.00 C ATOM 0 HA PRO A 42 -8.250 12.592 -15.273 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.355 15.127 -15.630 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -10.191 13.675 -16.143 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.601 15.322 -13.671 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.793 14.528 -14.681 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.978 13.479 -12.295 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -11.514 12.467 -13.622 1.00 0.00 H new ATOM 657 N SER A 43 -7.838 15.158 -13.263 1.00 0.00 N ATOM 658 CA SER A 43 -6.841 16.108 -12.796 1.00 0.00 C ATOM 659 C SER A 43 -6.582 15.941 -11.299 1.00 0.00 C ATOM 660 O SER A 43 -6.383 16.919 -10.574 1.00 0.00 O ATOM 661 CB SER A 43 -7.313 17.530 -13.103 1.00 0.00 C ATOM 662 OG SER A 43 -7.565 17.690 -14.491 1.00 0.00 O ATOM 0 H SER A 43 -8.769 15.299 -12.872 1.00 0.00 H new ATOM 0 HA SER A 43 -5.902 15.918 -13.317 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.219 17.747 -12.537 1.00 0.00 H new ATOM 0 HB3 SER A 43 -6.557 18.246 -12.781 1.00 0.00 H new ATOM 0 HG SER A 43 -7.867 18.606 -14.665 1.00 0.00 H new ATOM 668 N ILE A 44 -6.573 14.695 -10.843 1.00 0.00 N ATOM 669 CA ILE A 44 -6.294 14.395 -9.446 1.00 0.00 C ATOM 670 C ILE A 44 -4.987 13.612 -9.336 1.00 0.00 C ATOM 671 O ILE A 44 -4.695 12.764 -10.179 1.00 0.00 O ATOM 672 CB ILE A 44 -7.443 13.586 -8.798 1.00 0.00 C ATOM 673 CG1 ILE A 44 -8.786 14.285 -9.037 1.00 0.00 C ATOM 674 CG2 ILE A 44 -7.199 13.413 -7.303 1.00 0.00 C ATOM 675 CD1 ILE A 44 -9.973 13.551 -8.450 1.00 0.00 C ATOM 0 H ILE A 44 -6.756 13.875 -11.422 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.204 15.341 -8.911 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.473 12.600 -9.261 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.744 15.287 -8.610 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.938 14.402 -10.110 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.017 12.842 -6.865 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.261 12.881 -7.147 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.145 14.392 -6.828 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.886 14.108 -8.661 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.043 12.558 -8.894 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -9.846 13.458 -7.371 1.00 0.00 H new ATOM 687 N ASN A 45 -4.209 13.891 -8.293 1.00 0.00 N ATOM 688 CA ASN A 45 -2.897 13.264 -8.105 1.00 0.00 C ATOM 689 C ASN A 45 -3.039 11.865 -7.502 1.00 0.00 C ATOM 690 O ASN A 45 -2.249 11.459 -6.649 1.00 0.00 O ATOM 691 CB ASN A 45 -2.025 14.133 -7.188 1.00 0.00 C ATOM 692 CG ASN A 45 -1.845 15.549 -7.705 1.00 0.00 C ATOM 693 OD1 ASN A 45 -2.657 16.429 -7.424 1.00 0.00 O ATOM 694 ND2 ASN A 45 -0.780 15.787 -8.456 1.00 0.00 N ATOM 0 H ASN A 45 -4.464 14.551 -7.559 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.422 13.174 -9.082 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.475 14.169 -6.196 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.046 13.666 -7.077 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.613 16.725 -8.821 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.127 15.033 -8.669 1.00 0.00 H new ATOM 701 N VAL A 46 -4.027 11.118 -7.981 1.00 0.00 N ATOM 702 CA VAL A 46 -4.332 9.795 -7.444 1.00 0.00 C ATOM 703 C VAL A 46 -3.162 8.827 -7.601 1.00 0.00 C ATOM 704 O VAL A 46 -2.912 8.012 -6.721 1.00 0.00 O ATOM 705 CB VAL A 46 -5.588 9.187 -8.102 1.00 0.00 C ATOM 706 CG1 VAL A 46 -6.839 9.905 -7.626 1.00 0.00 C ATOM 707 CG2 VAL A 46 -5.490 9.243 -9.619 1.00 0.00 C ATOM 0 H VAL A 46 -4.636 11.408 -8.746 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.523 9.940 -6.381 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.652 8.140 -7.804 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.715 9.463 -8.100 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.925 9.808 -6.544 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.776 10.960 -7.892 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.388 8.808 -10.058 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.395 10.281 -9.939 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.616 8.681 -9.948 1.00 0.00 H new ATOM 717 N ASN A 47 -2.434 8.938 -8.707 1.00 0.00 N ATOM 718 CA ASN A 47 -1.313 8.037 -8.969 1.00 0.00 C ATOM 719 C ASN A 47 -0.083 8.468 -8.180 1.00 0.00 C ATOM 720 O ASN A 47 0.945 7.790 -8.184 1.00 0.00 O ATOM 721 CB ASN A 47 -0.976 7.986 -10.466 1.00 0.00 C ATOM 722 CG ASN A 47 -2.065 7.339 -11.308 1.00 0.00 C ATOM 723 OD1 ASN A 47 -3.255 7.446 -11.013 1.00 0.00 O ATOM 724 ND2 ASN A 47 -1.664 6.652 -12.366 1.00 0.00 N ATOM 0 H ASN A 47 -2.596 9.636 -9.432 1.00 0.00 H new ATOM 0 HA ASN A 47 -1.613 7.039 -8.649 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -0.802 9.000 -10.827 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -0.045 7.435 -10.603 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -2.349 6.192 -12.965 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -0.670 6.583 -12.582 1.00 0.00 H new ATOM 731 N GLU A 48 -0.195 9.606 -7.507 1.00 0.00 N ATOM 732 CA GLU A 48 0.897 10.129 -6.703 1.00 0.00 C ATOM 733 C GLU A 48 0.601 9.963 -5.218 1.00 0.00 C ATOM 734 O GLU A 48 1.469 10.182 -4.373 1.00 0.00 O ATOM 735 CB GLU A 48 1.149 11.596 -7.039 1.00 0.00 C ATOM 736 CG GLU A 48 1.559 11.813 -8.485 1.00 0.00 C ATOM 737 CD GLU A 48 1.880 13.256 -8.784 1.00 0.00 C ATOM 738 OE1 GLU A 48 3.007 13.692 -8.479 1.00 0.00 O ATOM 739 OE2 GLU A 48 1.008 13.966 -9.324 1.00 0.00 O ATOM 0 H GLU A 48 -1.035 10.185 -7.504 1.00 0.00 H new ATOM 0 HA GLU A 48 1.798 9.561 -6.935 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.246 12.170 -6.833 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.929 11.984 -6.384 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.430 11.197 -8.709 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.755 11.479 -9.141 1.00 0.00 H new ATOM 746 N LEU A 49 -0.633 9.603 -4.902 1.00 0.00 N ATOM 747 CA LEU A 49 -0.985 9.235 -3.540 1.00 0.00 C ATOM 748 C LEU A 49 -0.597 7.784 -3.308 1.00 0.00 C ATOM 749 O LEU A 49 -0.992 6.906 -4.068 1.00 0.00 O ATOM 750 CB LEU A 49 -2.479 9.439 -3.290 1.00 0.00 C ATOM 751 CG LEU A 49 -2.969 10.880 -3.450 1.00 0.00 C ATOM 752 CD1 LEU A 49 -4.454 10.971 -3.149 1.00 0.00 C ATOM 753 CD2 LEU A 49 -2.181 11.816 -2.548 1.00 0.00 C ATOM 0 H LEU A 49 -1.405 9.558 -5.567 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.445 9.874 -2.842 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.037 8.803 -3.976 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.713 9.101 -2.280 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.808 11.187 -4.484 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.787 12.002 -3.267 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.005 10.331 -3.838 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.638 10.646 -2.125 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.544 12.836 -2.676 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.309 11.513 -1.509 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.124 11.771 -2.812 1.00 0.00 H new ATOM 765 N PHE A 50 0.192 7.533 -2.280 1.00 0.00 N ATOM 766 CA PHE A 50 0.765 6.210 -2.086 1.00 0.00 C ATOM 767 C PHE A 50 0.154 5.483 -0.895 1.00 0.00 C ATOM 768 O PHE A 50 -0.605 6.055 -0.106 1.00 0.00 O ATOM 769 CB PHE A 50 2.282 6.308 -1.902 1.00 0.00 C ATOM 770 CG PHE A 50 2.996 6.940 -3.064 1.00 0.00 C ATOM 771 CD1 PHE A 50 3.030 6.312 -4.298 1.00 0.00 C ATOM 772 CD2 PHE A 50 3.629 8.165 -2.922 1.00 0.00 C ATOM 773 CE1 PHE A 50 3.682 6.893 -5.369 1.00 0.00 C ATOM 774 CE2 PHE A 50 4.283 8.750 -3.989 1.00 0.00 C ATOM 775 CZ PHE A 50 4.309 8.114 -5.215 1.00 0.00 C ATOM 0 H PHE A 50 0.450 8.219 -1.571 1.00 0.00 H new ATOM 0 HA PHE A 50 0.537 5.632 -2.982 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.493 6.885 -1.001 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.684 5.308 -1.741 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.541 5.357 -4.425 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.611 8.668 -1.966 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.701 6.393 -6.326 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.774 9.704 -3.865 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.818 8.570 -6.051 1.00 0.00 H new ATOM 785 N ALA A 51 0.496 4.209 -0.785 1.00 0.00 N ATOM 786 CA ALA A 51 0.108 3.394 0.348 1.00 0.00 C ATOM 787 C ALA A 51 1.324 3.160 1.224 1.00 0.00 C ATOM 788 O ALA A 51 2.415 2.917 0.710 1.00 0.00 O ATOM 789 CB ALA A 51 -0.467 2.069 -0.125 1.00 0.00 C ATOM 0 H ALA A 51 1.052 3.713 -1.482 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.661 3.910 0.922 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.754 1.468 0.738 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.344 2.254 -0.746 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.283 1.534 -0.707 1.00 0.00 H new ATOM 795 N TYR A 52 1.166 3.241 2.532 1.00 0.00 N ATOM 796 CA TYR A 52 2.304 3.060 3.412 1.00 0.00 C ATOM 797 C TYR A 52 1.966 2.160 4.584 1.00 0.00 C ATOM 798 O TYR A 52 0.802 1.982 4.937 1.00 0.00 O ATOM 799 CB TYR A 52 2.838 4.410 3.912 1.00 0.00 C ATOM 800 CG TYR A 52 2.014 5.087 4.982 1.00 0.00 C ATOM 801 CD1 TYR A 52 0.936 5.894 4.652 1.00 0.00 C ATOM 802 CD2 TYR A 52 2.342 4.942 6.324 1.00 0.00 C ATOM 803 CE1 TYR A 52 0.204 6.534 5.630 1.00 0.00 C ATOM 804 CE2 TYR A 52 1.618 5.583 7.307 1.00 0.00 C ATOM 805 CZ TYR A 52 0.552 6.377 6.955 1.00 0.00 C ATOM 806 OH TYR A 52 -0.170 7.020 7.931 1.00 0.00 O ATOM 0 H TYR A 52 0.280 3.427 3.001 1.00 0.00 H new ATOM 0 HA TYR A 52 3.086 2.574 2.829 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.847 4.260 4.297 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.919 5.085 3.060 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.666 6.023 3.614 1.00 0.00 H new ATOM 0 HD2 TYR A 52 3.178 4.317 6.602 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.637 7.155 5.360 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.886 5.462 8.346 1.00 0.00 H new ATOM 0 HH TYR A 52 0.204 6.804 8.811 1.00 0.00 H new ATOM 816 N VAL A 53 3.000 1.582 5.166 1.00 0.00 N ATOM 817 CA VAL A 53 2.856 0.794 6.374 1.00 0.00 C ATOM 818 C VAL A 53 3.540 1.506 7.532 1.00 0.00 C ATOM 819 O VAL A 53 4.589 2.135 7.352 1.00 0.00 O ATOM 820 CB VAL A 53 3.444 -0.627 6.210 1.00 0.00 C ATOM 821 CG1 VAL A 53 2.632 -1.430 5.205 1.00 0.00 C ATOM 822 CG2 VAL A 53 4.906 -0.571 5.787 1.00 0.00 C ATOM 0 H VAL A 53 3.956 1.645 4.817 1.00 0.00 H new ATOM 0 HA VAL A 53 1.791 0.688 6.579 1.00 0.00 H new ATOM 0 HB VAL A 53 3.391 -1.125 7.178 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.062 -2.427 5.104 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.602 -1.512 5.552 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.650 -0.927 4.238 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.293 -1.584 5.679 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.989 -0.048 4.834 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.484 -0.041 6.544 1.00 0.00 H new ATOM 832 N ASP A 54 2.935 1.437 8.706 1.00 0.00 N ATOM 833 CA ASP A 54 3.507 2.070 9.884 1.00 0.00 C ATOM 834 C ASP A 54 4.435 1.097 10.592 1.00 0.00 C ATOM 835 O ASP A 54 4.011 0.030 11.040 1.00 0.00 O ATOM 836 CB ASP A 54 2.412 2.545 10.842 1.00 0.00 C ATOM 837 CG ASP A 54 2.983 3.220 12.076 1.00 0.00 C ATOM 838 OD1 ASP A 54 3.198 4.451 12.045 1.00 0.00 O ATOM 839 OD2 ASP A 54 3.222 2.527 13.080 1.00 0.00 O ATOM 0 H ASP A 54 2.053 0.952 8.869 1.00 0.00 H new ATOM 0 HA ASP A 54 4.075 2.943 9.562 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.753 3.240 10.322 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.802 1.694 11.145 1.00 0.00 H new ATOM 844 N LEU A 55 5.701 1.465 10.669 1.00 0.00 N ATOM 845 CA LEU A 55 6.716 0.607 11.261 1.00 0.00 C ATOM 846 C LEU A 55 7.181 1.171 12.599 1.00 0.00 C ATOM 847 O LEU A 55 8.293 0.898 13.057 1.00 0.00 O ATOM 848 CB LEU A 55 7.891 0.465 10.290 1.00 0.00 C ATOM 849 CG LEU A 55 7.553 -0.257 8.983 1.00 0.00 C ATOM 850 CD1 LEU A 55 8.687 -0.132 7.985 1.00 0.00 C ATOM 851 CD2 LEU A 55 7.260 -1.721 9.250 1.00 0.00 C ATOM 0 H LEU A 55 6.054 2.359 10.327 1.00 0.00 H new ATOM 0 HA LEU A 55 6.290 -0.379 11.447 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.272 1.458 10.053 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.696 -0.074 10.790 1.00 0.00 H new ATOM 0 HG LEU A 55 6.666 0.213 8.558 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.422 -0.653 7.065 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.865 0.921 7.767 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.591 -0.573 8.404 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.021 -2.221 8.311 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.135 -2.191 9.700 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.413 -1.804 9.931 1.00 0.00 H new ATOM 863 N SER A 56 6.310 1.940 13.235 1.00 0.00 N ATOM 864 CA SER A 56 6.627 2.548 14.514 1.00 0.00 C ATOM 865 C SER A 56 6.611 1.494 15.621 1.00 0.00 C ATOM 866 O SER A 56 5.554 1.152 16.154 1.00 0.00 O ATOM 867 CB SER A 56 5.628 3.664 14.822 1.00 0.00 C ATOM 868 OG SER A 56 5.507 4.555 13.721 1.00 0.00 O ATOM 0 H SER A 56 5.377 2.157 12.884 1.00 0.00 H new ATOM 0 HA SER A 56 7.628 2.977 14.464 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.654 3.232 15.054 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.952 4.214 15.706 1.00 0.00 H new ATOM 0 HG SER A 56 4.601 4.498 13.352 1.00 0.00 H new ATOM 874 N GLY A 57 7.785 0.958 15.932 1.00 0.00 N ATOM 875 CA GLY A 57 7.889 -0.041 16.976 1.00 0.00 C ATOM 876 C GLY A 57 7.910 -1.456 16.429 1.00 0.00 C ATOM 877 O GLY A 57 7.564 -2.408 17.132 1.00 0.00 O ATOM 0 H GLY A 57 8.667 1.198 15.479 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.797 0.135 17.553 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.049 0.067 17.662 1.00 0.00 H new ATOM 881 N SER A 58 8.302 -1.598 15.172 1.00 0.00 N ATOM 882 CA SER A 58 8.403 -2.910 14.558 1.00 0.00 C ATOM 883 C SER A 58 9.786 -3.508 14.796 1.00 0.00 C ATOM 884 O SER A 58 10.800 -2.900 14.448 1.00 0.00 O ATOM 885 CB SER A 58 8.121 -2.808 13.059 1.00 0.00 C ATOM 886 OG SER A 58 8.990 -1.874 12.443 1.00 0.00 O ATOM 0 H SER A 58 8.554 -0.822 14.560 1.00 0.00 H new ATOM 0 HA SER A 58 7.662 -3.567 15.014 1.00 0.00 H new ATOM 0 HB2 SER A 58 8.244 -3.786 12.594 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.086 -2.507 12.899 1.00 0.00 H new ATOM 0 HG SER A 58 8.722 -0.965 12.692 1.00 0.00 H new ATOM 892 N GLU A 59 9.822 -4.687 15.401 1.00 0.00 N ATOM 893 CA GLU A 59 11.079 -5.383 15.634 1.00 0.00 C ATOM 894 C GLU A 59 11.589 -5.995 14.331 1.00 0.00 C ATOM 895 O GLU A 59 10.803 -6.255 13.414 1.00 0.00 O ATOM 896 CB GLU A 59 10.900 -6.474 16.697 1.00 0.00 C ATOM 897 CG GLU A 59 9.924 -7.570 16.298 1.00 0.00 C ATOM 898 CD GLU A 59 9.862 -8.690 17.315 1.00 0.00 C ATOM 899 OE1 GLU A 59 10.721 -9.597 17.262 1.00 0.00 O ATOM 900 OE2 GLU A 59 8.951 -8.674 18.168 1.00 0.00 O ATOM 0 H GLU A 59 8.996 -5.181 15.739 1.00 0.00 H new ATOM 0 HA GLU A 59 11.813 -4.663 15.997 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.870 -6.924 16.908 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.555 -6.013 17.622 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.930 -7.140 16.175 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.217 -7.978 15.330 1.00 0.00 H new ATOM 907 N PRO A 60 12.909 -6.215 14.218 1.00 0.00 N ATOM 908 CA PRO A 60 13.507 -6.823 13.031 1.00 0.00 C ATOM 909 C PRO A 60 13.100 -8.285 12.870 1.00 0.00 C ATOM 910 O PRO A 60 13.731 -9.188 13.426 1.00 0.00 O ATOM 911 CB PRO A 60 15.020 -6.707 13.269 1.00 0.00 C ATOM 912 CG PRO A 60 15.171 -5.747 14.403 1.00 0.00 C ATOM 913 CD PRO A 60 13.924 -5.881 15.226 1.00 0.00 C ATOM 0 HA PRO A 60 13.179 -6.328 12.117 1.00 0.00 H new ATOM 0 HB2 PRO A 60 15.454 -7.676 13.514 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.531 -6.345 12.377 1.00 0.00 H new ATOM 0 HG2 PRO A 60 16.056 -5.979 14.995 1.00 0.00 H new ATOM 0 HG3 PRO A 60 15.290 -4.727 14.038 1.00 0.00 H new ATOM 0 HD2 PRO A 60 14.018 -6.662 15.981 1.00 0.00 H new ATOM 0 HD3 PRO A 60 13.684 -4.957 15.752 1.00 0.00 H new ATOM 921 N GLY A 61 12.015 -8.500 12.146 1.00 0.00 N ATOM 922 CA GLY A 61 11.549 -9.838 11.860 1.00 0.00 C ATOM 923 C GLY A 61 10.481 -9.824 10.791 1.00 0.00 C ATOM 924 O GLY A 61 10.025 -8.753 10.384 1.00 0.00 O ATOM 0 H GLY A 61 11.441 -7.758 11.746 1.00 0.00 H new ATOM 0 HA2 GLY A 61 12.386 -10.456 11.535 1.00 0.00 H new ATOM 0 HA3 GLY A 61 11.153 -10.291 12.769 1.00 0.00 H new ATOM 928 N GLU A 62 10.074 -10.997 10.334 1.00 0.00 N ATOM 929 CA GLU A 62 9.036 -11.096 9.322 1.00 0.00 C ATOM 930 C GLU A 62 7.666 -10.992 9.981 1.00 0.00 C ATOM 931 O GLU A 62 7.214 -11.918 10.655 1.00 0.00 O ATOM 932 CB GLU A 62 9.166 -12.411 8.551 1.00 0.00 C ATOM 933 CG GLU A 62 8.180 -12.552 7.404 1.00 0.00 C ATOM 934 CD GLU A 62 8.259 -13.908 6.738 1.00 0.00 C ATOM 935 OE1 GLU A 62 7.676 -14.870 7.273 1.00 0.00 O ATOM 936 OE2 GLU A 62 8.913 -14.026 5.682 1.00 0.00 O ATOM 0 H GLU A 62 10.447 -11.893 10.648 1.00 0.00 H new ATOM 0 HA GLU A 62 9.149 -10.276 8.613 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.179 -12.492 8.158 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.025 -13.242 9.242 1.00 0.00 H new ATOM 0 HG2 GLU A 62 7.168 -12.392 7.777 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.374 -11.775 6.664 1.00 0.00 H new ATOM 943 N HIS A 63 7.027 -9.848 9.816 1.00 0.00 N ATOM 944 CA HIS A 63 5.728 -9.606 10.425 1.00 0.00 C ATOM 945 C HIS A 63 4.754 -9.070 9.394 1.00 0.00 C ATOM 946 O HIS A 63 5.150 -8.685 8.291 1.00 0.00 O ATOM 947 CB HIS A 63 5.841 -8.626 11.600 1.00 0.00 C ATOM 948 CG HIS A 63 6.565 -9.185 12.786 1.00 0.00 C ATOM 949 ND1 HIS A 63 5.925 -9.648 13.912 1.00 0.00 N ATOM 950 CD2 HIS A 63 7.886 -9.364 13.011 1.00 0.00 C ATOM 951 CE1 HIS A 63 6.818 -10.090 14.775 1.00 0.00 C ATOM 952 NE2 HIS A 63 8.020 -9.931 14.252 1.00 0.00 N ATOM 0 H HIS A 63 7.386 -9.069 9.264 1.00 0.00 H new ATOM 0 HA HIS A 63 5.355 -10.556 10.808 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.356 -7.727 11.263 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.840 -8.324 11.907 1.00 0.00 H new ATOM 0 HD2 HIS A 63 8.689 -9.107 12.336 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.603 -10.511 15.746 1.00 0.00 H new ATOM 0 HE2 HIS A 63 8.901 -10.187 14.697 1.00 0.00 H new ATOM 961 N ASP A 64 3.485 -9.044 9.755 1.00 0.00 N ATOM 962 CA ASP A 64 2.446 -8.578 8.857 1.00 0.00 C ATOM 963 C ASP A 64 2.087 -7.135 9.168 1.00 0.00 C ATOM 964 O ASP A 64 1.704 -6.803 10.291 1.00 0.00 O ATOM 965 CB ASP A 64 1.206 -9.467 8.956 1.00 0.00 C ATOM 966 CG ASP A 64 1.429 -10.846 8.369 1.00 0.00 C ATOM 967 OD1 ASP A 64 1.314 -10.997 7.137 1.00 0.00 O ATOM 968 OD2 ASP A 64 1.713 -11.792 9.135 1.00 0.00 O ATOM 0 H ASP A 64 3.148 -9.342 10.670 1.00 0.00 H new ATOM 0 HA ASP A 64 2.826 -8.632 7.837 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.916 -9.564 10.002 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.376 -8.986 8.438 1.00 0.00 H new ATOM 973 N TYR A 65 2.230 -6.276 8.175 1.00 0.00 N ATOM 974 CA TYR A 65 1.950 -4.863 8.346 1.00 0.00 C ATOM 975 C TYR A 65 0.799 -4.446 7.446 1.00 0.00 C ATOM 976 O TYR A 65 0.804 -4.722 6.245 1.00 0.00 O ATOM 977 CB TYR A 65 3.206 -4.040 8.062 1.00 0.00 C ATOM 978 CG TYR A 65 4.377 -4.446 8.930 1.00 0.00 C ATOM 979 CD1 TYR A 65 4.405 -4.128 10.282 1.00 0.00 C ATOM 980 CD2 TYR A 65 5.440 -5.169 8.405 1.00 0.00 C ATOM 981 CE1 TYR A 65 5.460 -4.516 11.084 1.00 0.00 C ATOM 982 CE2 TYR A 65 6.497 -5.565 9.202 1.00 0.00 C ATOM 983 CZ TYR A 65 6.503 -5.234 10.541 1.00 0.00 C ATOM 984 OH TYR A 65 7.551 -5.632 11.340 1.00 0.00 O ATOM 0 H TYR A 65 2.540 -6.534 7.238 1.00 0.00 H new ATOM 0 HA TYR A 65 1.653 -4.677 9.378 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.480 -4.153 7.013 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.988 -2.984 8.223 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.588 -3.568 10.713 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.441 -5.426 7.356 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.468 -4.258 12.133 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.314 -6.131 8.779 1.00 0.00 H new ATOM 0 HH TYR A 65 8.073 -6.319 10.876 1.00 0.00 H new ATOM 994 N GLU A 66 -0.194 -3.802 8.041 1.00 0.00 N ATOM 995 CA GLU A 66 -1.409 -3.435 7.326 1.00 0.00 C ATOM 996 C GLU A 66 -1.139 -2.334 6.311 1.00 0.00 C ATOM 997 O GLU A 66 -0.462 -1.348 6.610 1.00 0.00 O ATOM 998 CB GLU A 66 -2.489 -2.992 8.314 1.00 0.00 C ATOM 999 CG GLU A 66 -2.884 -4.077 9.302 1.00 0.00 C ATOM 1000 CD GLU A 66 -3.930 -3.611 10.290 1.00 0.00 C ATOM 1001 OE1 GLU A 66 -3.554 -3.001 11.309 1.00 0.00 O ATOM 1002 OE2 GLU A 66 -5.132 -3.851 10.054 1.00 0.00 O ATOM 0 H GLU A 66 -0.183 -3.521 9.022 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.761 -4.313 6.784 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.132 -2.122 8.865 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.372 -2.678 7.758 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.265 -4.940 8.755 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.999 -4.409 9.845 1.00 0.00 H new ATOM 1009 N VAL A 67 -1.674 -2.513 5.112 1.00 0.00 N ATOM 1010 CA VAL A 67 -1.489 -1.553 4.038 1.00 0.00 C ATOM 1011 C VAL A 67 -2.418 -0.363 4.220 1.00 0.00 C ATOM 1012 O VAL A 67 -3.641 -0.487 4.115 1.00 0.00 O ATOM 1013 CB VAL A 67 -1.741 -2.188 2.656 1.00 0.00 C ATOM 1014 CG1 VAL A 67 -1.534 -1.166 1.550 1.00 0.00 C ATOM 1015 CG2 VAL A 67 -0.837 -3.393 2.448 1.00 0.00 C ATOM 0 H VAL A 67 -2.243 -3.321 4.859 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.452 -1.219 4.081 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.777 -2.526 2.619 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.717 -1.634 0.583 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.227 -0.336 1.688 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.510 -0.794 1.585 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.030 -3.827 1.467 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.205 -3.080 2.508 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.038 -4.136 3.220 1.00 0.00 H new ATOM 1025 N LYS A 68 -1.835 0.785 4.506 1.00 0.00 N ATOM 1026 CA LYS A 68 -2.602 1.997 4.695 1.00 0.00 C ATOM 1027 C LYS A 68 -2.504 2.883 3.464 1.00 0.00 C ATOM 1028 O LYS A 68 -1.487 3.537 3.235 1.00 0.00 O ATOM 1029 CB LYS A 68 -2.100 2.746 5.927 1.00 0.00 C ATOM 1030 CG LYS A 68 -2.869 4.016 6.232 1.00 0.00 C ATOM 1031 CD LYS A 68 -2.340 4.670 7.489 1.00 0.00 C ATOM 1032 CE LYS A 68 -3.169 5.882 7.886 1.00 0.00 C ATOM 1033 NZ LYS A 68 -2.772 7.102 7.138 1.00 0.00 N ATOM 0 H LYS A 68 -0.827 0.902 4.613 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.648 1.730 4.846 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.156 2.083 6.790 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.049 2.995 5.785 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.787 4.708 5.394 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.928 3.786 6.353 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.341 3.946 8.304 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.305 4.973 7.333 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.224 5.674 7.705 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.058 6.061 8.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.185 7.940 7.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.735 7.185 7.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.117 7.037 6.159 1.00 0.00 H new ATOM 1047 N VAL A 69 -3.550 2.877 2.661 1.00 0.00 N ATOM 1048 CA VAL A 69 -3.615 3.732 1.490 1.00 0.00 C ATOM 1049 C VAL A 69 -4.175 5.085 1.887 1.00 0.00 C ATOM 1050 O VAL A 69 -5.247 5.159 2.495 1.00 0.00 O ATOM 1051 CB VAL A 69 -4.492 3.117 0.380 1.00 0.00 C ATOM 1052 CG1 VAL A 69 -4.446 3.965 -0.883 1.00 0.00 C ATOM 1053 CG2 VAL A 69 -4.064 1.689 0.083 1.00 0.00 C ATOM 0 H VAL A 69 -4.371 2.287 2.798 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.605 3.841 1.095 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.522 3.098 0.737 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.072 3.510 -1.650 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.814 4.967 -0.662 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.419 4.026 -1.243 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.696 1.276 -0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.025 1.682 -0.246 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.163 1.084 0.984 1.00 0.00 H new ATOM 1063 N GLU A 70 -3.446 6.143 1.573 1.00 0.00 N ATOM 1064 CA GLU A 70 -3.878 7.486 1.916 1.00 0.00 C ATOM 1065 C GLU A 70 -5.169 7.845 1.191 1.00 0.00 C ATOM 1066 O GLU A 70 -5.264 7.707 -0.028 1.00 0.00 O ATOM 1067 CB GLU A 70 -2.774 8.493 1.601 1.00 0.00 C ATOM 1068 CG GLU A 70 -1.628 8.447 2.598 1.00 0.00 C ATOM 1069 CD GLU A 70 -2.061 8.864 3.992 1.00 0.00 C ATOM 1070 OE1 GLU A 70 -2.740 8.073 4.678 1.00 0.00 O ATOM 1071 OE2 GLU A 70 -1.717 9.991 4.411 1.00 0.00 O ATOM 0 H GLU A 70 -2.553 6.097 1.082 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.080 7.521 2.987 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.387 8.298 0.601 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.198 9.497 1.589 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.220 7.437 2.633 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.826 9.102 2.257 1.00 0.00 H new ATOM 1078 N PRO A 71 -6.179 8.300 1.955 1.00 0.00 N ATOM 1079 CA PRO A 71 -7.518 8.602 1.436 1.00 0.00 C ATOM 1080 C PRO A 71 -7.490 9.519 0.220 1.00 0.00 C ATOM 1081 O PRO A 71 -6.742 10.500 0.176 1.00 0.00 O ATOM 1082 CB PRO A 71 -8.226 9.295 2.612 1.00 0.00 C ATOM 1083 CG PRO A 71 -7.150 9.603 3.599 1.00 0.00 C ATOM 1084 CD PRO A 71 -6.093 8.561 3.395 1.00 0.00 C ATOM 0 HA PRO A 71 -8.021 7.697 1.094 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.731 10.204 2.285 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.986 8.648 3.049 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -6.748 10.603 3.439 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.535 9.574 4.618 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -5.106 8.922 3.684 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.289 7.664 3.982 1.00 0.00 H new ATOM 1092 N ILE A 72 -8.316 9.193 -0.762 1.00 0.00 N ATOM 1093 CA ILE A 72 -8.363 9.941 -2.005 1.00 0.00 C ATOM 1094 C ILE A 72 -9.365 11.086 -1.895 1.00 0.00 C ATOM 1095 O ILE A 72 -10.515 10.871 -1.516 1.00 0.00 O ATOM 1096 CB ILE A 72 -8.770 9.033 -3.189 1.00 0.00 C ATOM 1097 CG1 ILE A 72 -7.925 7.752 -3.212 1.00 0.00 C ATOM 1098 CG2 ILE A 72 -8.634 9.783 -4.505 1.00 0.00 C ATOM 1099 CD1 ILE A 72 -6.441 7.991 -3.403 1.00 0.00 C ATOM 0 H ILE A 72 -8.967 8.409 -0.719 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.364 10.337 -2.188 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.814 8.749 -3.056 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.077 7.213 -2.277 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.284 7.107 -4.014 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.924 9.130 -5.328 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.281 10.660 -4.492 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.599 10.098 -4.639 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.916 7.036 -3.408 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.274 8.501 -4.351 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.064 8.608 -2.587 1.00 0.00 H new ATOM 1111 N PRO A 73 -8.940 12.319 -2.201 1.00 0.00 N ATOM 1112 CA PRO A 73 -9.837 13.477 -2.206 1.00 0.00 C ATOM 1113 C PRO A 73 -10.923 13.346 -3.271 1.00 0.00 C ATOM 1114 O PRO A 73 -10.634 13.011 -4.423 1.00 0.00 O ATOM 1115 CB PRO A 73 -8.910 14.658 -2.521 1.00 0.00 C ATOM 1116 CG PRO A 73 -7.709 14.050 -3.161 1.00 0.00 C ATOM 1117 CD PRO A 73 -7.558 12.687 -2.548 1.00 0.00 C ATOM 0 HA PRO A 73 -10.368 13.589 -1.261 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.394 15.371 -3.188 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.641 15.201 -1.615 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.836 13.980 -4.241 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.822 14.658 -2.983 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.116 11.978 -3.248 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.915 12.710 -1.668 1.00 0.00 H new ATOM 1125 N ASN A 74 -12.174 13.580 -2.862 1.00 0.00 N ATOM 1126 CA ASN A 74 -13.343 13.533 -3.754 1.00 0.00 C ATOM 1127 C ASN A 74 -13.721 12.094 -4.131 1.00 0.00 C ATOM 1128 O ASN A 74 -14.895 11.727 -4.101 1.00 0.00 O ATOM 1129 CB ASN A 74 -13.108 14.378 -5.018 1.00 0.00 C ATOM 1130 CG ASN A 74 -14.312 14.409 -5.943 1.00 0.00 C ATOM 1131 OD1 ASN A 74 -15.216 15.227 -5.775 1.00 0.00 O ATOM 1132 ND2 ASN A 74 -14.324 13.542 -6.945 1.00 0.00 N ATOM 0 H ASN A 74 -12.408 13.809 -1.896 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.181 13.959 -3.203 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -12.855 15.397 -4.725 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.250 13.980 -5.560 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -15.100 13.539 -7.607 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -13.558 12.878 -7.054 1.00 0.00 H new ATOM 1139 N ILE A 75 -12.728 11.288 -4.466 1.00 0.00 N ATOM 1140 CA ILE A 75 -12.960 9.904 -4.875 1.00 0.00 C ATOM 1141 C ILE A 75 -13.078 8.993 -3.654 1.00 0.00 C ATOM 1142 O ILE A 75 -12.359 9.158 -2.670 1.00 0.00 O ATOM 1143 CB ILE A 75 -11.820 9.405 -5.787 1.00 0.00 C ATOM 1144 CG1 ILE A 75 -11.741 10.270 -7.044 1.00 0.00 C ATOM 1145 CG2 ILE A 75 -12.012 7.940 -6.161 1.00 0.00 C ATOM 1146 CD1 ILE A 75 -10.615 9.883 -7.973 1.00 0.00 C ATOM 0 H ILE A 75 -11.747 11.566 -4.464 1.00 0.00 H new ATOM 0 HA ILE A 75 -13.897 9.873 -5.432 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.883 9.488 -5.237 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -12.686 10.201 -7.583 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -11.617 11.312 -6.751 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -11.193 7.618 -6.804 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -12.024 7.332 -5.256 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -12.957 7.821 -6.691 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -10.620 10.539 -8.843 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -9.663 9.980 -7.451 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -10.748 8.851 -8.296 1.00 0.00 H new ATOM 1158 N LYS A 76 -13.994 8.040 -3.727 1.00 0.00 N ATOM 1159 CA LYS A 76 -14.210 7.105 -2.633 1.00 0.00 C ATOM 1160 C LYS A 76 -13.411 5.825 -2.862 1.00 0.00 C ATOM 1161 O LYS A 76 -13.524 5.195 -3.917 1.00 0.00 O ATOM 1162 CB LYS A 76 -15.702 6.784 -2.518 1.00 0.00 C ATOM 1163 CG LYS A 76 -16.034 5.742 -1.461 1.00 0.00 C ATOM 1164 CD LYS A 76 -17.493 5.328 -1.547 1.00 0.00 C ATOM 1165 CE LYS A 76 -17.839 4.267 -0.518 1.00 0.00 C ATOM 1166 NZ LYS A 76 -17.732 4.785 0.871 1.00 0.00 N ATOM 0 H LYS A 76 -14.601 7.893 -4.534 1.00 0.00 H new ATOM 0 HA LYS A 76 -13.869 7.561 -1.704 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -16.244 7.702 -2.290 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -16.063 6.433 -3.485 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -15.396 4.868 -1.593 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -15.824 6.144 -0.470 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -18.128 6.201 -1.397 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -17.705 4.948 -2.546 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -18.853 3.908 -0.694 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -17.173 3.413 -0.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -18.120 4.084 1.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -16.733 4.962 1.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -18.268 5.672 0.953 1.00 0.00 H new ATOM 1180 N ILE A 77 -12.598 5.450 -1.884 1.00 0.00 N ATOM 1181 CA ILE A 77 -11.841 4.212 -1.971 1.00 0.00 C ATOM 1182 C ILE A 77 -12.667 3.056 -1.411 1.00 0.00 C ATOM 1183 O ILE A 77 -13.118 3.083 -0.264 1.00 0.00 O ATOM 1184 CB ILE A 77 -10.472 4.306 -1.247 1.00 0.00 C ATOM 1185 CG1 ILE A 77 -9.701 2.990 -1.395 1.00 0.00 C ATOM 1186 CG2 ILE A 77 -10.645 4.666 0.224 1.00 0.00 C ATOM 1187 CD1 ILE A 77 -8.309 3.029 -0.800 1.00 0.00 C ATOM 0 H ILE A 77 -12.447 5.982 -1.027 1.00 0.00 H new ATOM 0 HA ILE A 77 -11.630 4.029 -3.025 1.00 0.00 H new ATOM 0 HB ILE A 77 -9.897 5.104 -1.716 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.268 2.191 -0.917 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -9.627 2.740 -2.453 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -9.667 4.724 0.702 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -11.147 5.630 0.306 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.245 3.902 0.717 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -7.825 2.063 -0.943 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -7.724 3.805 -1.294 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -8.375 3.248 0.266 1.00 0.00 H new ATOM 1199 N VAL A 78 -12.884 2.053 -2.240 1.00 0.00 N ATOM 1200 CA VAL A 78 -13.738 0.934 -1.885 1.00 0.00 C ATOM 1201 C VAL A 78 -12.962 -0.123 -1.113 1.00 0.00 C ATOM 1202 O VAL A 78 -13.222 -0.367 0.064 1.00 0.00 O ATOM 1203 CB VAL A 78 -14.351 0.277 -3.140 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -15.341 -0.811 -2.758 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -15.007 1.319 -4.033 1.00 0.00 C ATOM 0 H VAL A 78 -12.477 1.990 -3.173 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.536 1.332 -1.258 1.00 0.00 H new ATOM 0 HB VAL A 78 -13.542 -0.189 -3.703 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -15.758 -1.257 -3.661 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -14.831 -1.579 -2.176 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -16.145 -0.379 -2.163 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -15.431 0.831 -4.910 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -15.799 1.825 -3.481 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.262 2.049 -4.349 1.00 0.00 H new ATOM 1215 N GLU A 79 -11.990 -0.727 -1.776 1.00 0.00 N ATOM 1216 CA GLU A 79 -11.320 -1.895 -1.228 1.00 0.00 C ATOM 1217 C GLU A 79 -9.810 -1.740 -1.292 1.00 0.00 C ATOM 1218 O GLU A 79 -9.267 -1.281 -2.297 1.00 0.00 O ATOM 1219 CB GLU A 79 -11.746 -3.135 -2.011 1.00 0.00 C ATOM 1220 CG GLU A 79 -11.341 -4.448 -1.363 1.00 0.00 C ATOM 1221 CD GLU A 79 -11.760 -5.646 -2.187 1.00 0.00 C ATOM 1222 OE1 GLU A 79 -12.814 -5.576 -2.856 1.00 0.00 O ATOM 1223 OE2 GLU A 79 -11.035 -6.660 -2.179 1.00 0.00 O ATOM 0 H GLU A 79 -11.648 -0.430 -2.690 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.605 -2.000 -0.181 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.829 -3.121 -2.132 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.313 -3.087 -3.010 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.260 -4.465 -1.225 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.790 -4.516 -0.372 1.00 0.00 H new ATOM 1230 N ILE A 80 -9.141 -2.118 -0.213 1.00 0.00 N ATOM 1231 CA ILE A 80 -7.689 -2.109 -0.171 1.00 0.00 C ATOM 1232 C ILE A 80 -7.150 -3.530 -0.291 1.00 0.00 C ATOM 1233 O ILE A 80 -7.287 -4.332 0.630 1.00 0.00 O ATOM 1234 CB ILE A 80 -7.161 -1.465 1.131 1.00 0.00 C ATOM 1235 CG1 ILE A 80 -7.674 -0.027 1.257 1.00 0.00 C ATOM 1236 CG2 ILE A 80 -5.637 -1.496 1.163 1.00 0.00 C ATOM 1237 CD1 ILE A 80 -7.245 0.666 2.533 1.00 0.00 C ATOM 0 H ILE A 80 -9.585 -2.436 0.649 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.340 -1.511 -1.013 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.532 -2.041 1.979 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.319 0.551 0.404 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -8.763 -0.034 1.207 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.283 -1.038 2.087 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -5.293 -2.529 1.115 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.244 -0.943 0.310 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -7.647 1.679 2.550 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.622 0.112 3.393 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.157 0.706 2.577 1.00 0.00 H new ATOM 1249 N SER A 81 -6.562 -3.844 -1.436 1.00 0.00 N ATOM 1250 CA SER A 81 -5.992 -5.164 -1.661 1.00 0.00 C ATOM 1251 C SER A 81 -4.622 -5.055 -2.332 1.00 0.00 C ATOM 1252 O SER A 81 -4.483 -4.402 -3.365 1.00 0.00 O ATOM 1253 CB SER A 81 -6.949 -6.012 -2.503 1.00 0.00 C ATOM 1254 OG SER A 81 -7.429 -5.290 -3.628 1.00 0.00 O ATOM 0 H SER A 81 -6.467 -3.203 -2.224 1.00 0.00 H new ATOM 0 HA SER A 81 -5.852 -5.654 -0.698 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.438 -6.914 -2.839 1.00 0.00 H new ATOM 0 HB3 SER A 81 -7.790 -6.332 -1.888 1.00 0.00 H new ATOM 0 HG SER A 81 -6.784 -4.593 -3.869 1.00 0.00 H new ATOM 1260 N PRO A 82 -3.585 -5.687 -1.756 1.00 0.00 N ATOM 1261 CA PRO A 82 -3.702 -6.489 -0.530 1.00 0.00 C ATOM 1262 C PRO A 82 -4.004 -5.638 0.697 1.00 0.00 C ATOM 1263 O PRO A 82 -3.713 -4.442 0.727 1.00 0.00 O ATOM 1264 CB PRO A 82 -2.323 -7.152 -0.387 1.00 0.00 C ATOM 1265 CG PRO A 82 -1.638 -6.938 -1.695 1.00 0.00 C ATOM 1266 CD PRO A 82 -2.207 -5.669 -2.256 1.00 0.00 C ATOM 0 HA PRO A 82 -4.525 -7.200 -0.598 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.756 -6.706 0.430 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.420 -8.215 -0.164 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -0.559 -6.857 -1.562 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.814 -7.776 -2.369 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.661 -4.792 -1.908 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.171 -5.656 -3.345 1.00 0.00 H new ATOM 1274 N ARG A 83 -4.581 -6.272 1.703 1.00 0.00 N ATOM 1275 CA ARG A 83 -5.002 -5.582 2.913 1.00 0.00 C ATOM 1276 C ARG A 83 -3.831 -5.476 3.878 1.00 0.00 C ATOM 1277 O ARG A 83 -3.655 -4.468 4.568 1.00 0.00 O ATOM 1278 CB ARG A 83 -6.151 -6.356 3.561 1.00 0.00 C ATOM 1279 CG ARG A 83 -7.214 -6.776 2.560 1.00 0.00 C ATOM 1280 CD ARG A 83 -8.125 -7.853 3.113 1.00 0.00 C ATOM 1281 NE ARG A 83 -8.957 -8.435 2.063 1.00 0.00 N ATOM 1282 CZ ARG A 83 -9.529 -9.634 2.138 1.00 0.00 C ATOM 1283 NH1 ARG A 83 -9.348 -10.398 3.209 1.00 0.00 N ATOM 1284 NH2 ARG A 83 -10.284 -10.070 1.138 1.00 0.00 N ATOM 0 H ARG A 83 -4.771 -7.274 1.706 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.342 -4.577 2.663 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.753 -7.242 4.055 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.609 -5.739 4.334 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.810 -5.908 2.279 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.733 -7.140 1.652 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.526 -8.635 3.580 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.761 -7.430 3.891 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.110 -7.886 1.217 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.768 -10.067 3.980 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.789 -11.316 3.261 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.425 -9.486 0.313 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.723 -10.989 1.194 1.00 0.00 H new ATOM 1298 N VAL A 84 -3.038 -6.536 3.919 1.00 0.00 N ATOM 1299 CA VAL A 84 -1.867 -6.604 4.780 1.00 0.00 C ATOM 1300 C VAL A 84 -0.708 -7.232 4.010 1.00 0.00 C ATOM 1301 O VAL A 84 -0.920 -8.123 3.188 1.00 0.00 O ATOM 1302 CB VAL A 84 -2.157 -7.442 6.052 1.00 0.00 C ATOM 1303 CG1 VAL A 84 -0.945 -7.497 6.964 1.00 0.00 C ATOM 1304 CG2 VAL A 84 -3.355 -6.887 6.804 1.00 0.00 C ATOM 0 H VAL A 84 -3.188 -7.373 3.356 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.607 -5.591 5.089 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.387 -8.458 5.730 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.181 -8.092 7.847 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.110 -7.952 6.432 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.673 -6.487 7.269 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.539 -7.491 7.692 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.153 -5.858 7.101 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.233 -6.913 6.159 1.00 0.00 H new ATOM 1314 N VAL A 85 0.505 -6.756 4.249 1.00 0.00 N ATOM 1315 CA VAL A 85 1.679 -7.315 3.594 1.00 0.00 C ATOM 1316 C VAL A 85 2.647 -7.902 4.615 1.00 0.00 C ATOM 1317 O VAL A 85 2.845 -7.343 5.695 1.00 0.00 O ATOM 1318 CB VAL A 85 2.418 -6.268 2.730 1.00 0.00 C ATOM 1319 CG1 VAL A 85 1.583 -5.891 1.515 1.00 0.00 C ATOM 1320 CG2 VAL A 85 2.763 -5.032 3.548 1.00 0.00 C ATOM 0 H VAL A 85 0.702 -5.987 4.889 1.00 0.00 H new ATOM 0 HA VAL A 85 1.320 -8.107 2.937 1.00 0.00 H new ATOM 0 HB VAL A 85 3.350 -6.714 2.383 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.120 -5.153 0.919 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.397 -6.779 0.911 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.632 -5.470 1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.282 -4.311 2.917 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.847 -4.583 3.933 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.407 -5.315 4.381 1.00 0.00 H new ATOM 1330 N THR A 86 3.227 -9.039 4.276 1.00 0.00 N ATOM 1331 CA THR A 86 4.196 -9.689 5.141 1.00 0.00 C ATOM 1332 C THR A 86 5.607 -9.238 4.777 1.00 0.00 C ATOM 1333 O THR A 86 6.157 -9.650 3.753 1.00 0.00 O ATOM 1334 CB THR A 86 4.105 -11.221 5.030 1.00 0.00 C ATOM 1335 OG1 THR A 86 2.733 -11.639 5.073 1.00 0.00 O ATOM 1336 CG2 THR A 86 4.872 -11.891 6.159 1.00 0.00 C ATOM 0 H THR A 86 3.043 -9.534 3.403 1.00 0.00 H new ATOM 0 HA THR A 86 3.971 -9.403 6.168 1.00 0.00 H new ATOM 0 HB THR A 86 4.547 -11.518 4.079 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.292 -11.236 5.850 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.793 -12.974 6.060 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.921 -11.597 6.111 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.453 -11.583 7.117 1.00 0.00 H new ATOM 1344 N LEU A 87 6.178 -8.382 5.607 1.00 0.00 N ATOM 1345 CA LEU A 87 7.491 -7.824 5.337 1.00 0.00 C ATOM 1346 C LEU A 87 8.541 -8.461 6.231 1.00 0.00 C ATOM 1347 O LEU A 87 8.407 -8.470 7.458 1.00 0.00 O ATOM 1348 CB LEU A 87 7.482 -6.307 5.545 1.00 0.00 C ATOM 1349 CG LEU A 87 6.508 -5.531 4.655 1.00 0.00 C ATOM 1350 CD1 LEU A 87 6.542 -4.049 4.996 1.00 0.00 C ATOM 1351 CD2 LEU A 87 6.840 -5.746 3.184 1.00 0.00 C ATOM 0 H LEU A 87 5.752 -8.058 6.475 1.00 0.00 H new ATOM 0 HA LEU A 87 7.741 -8.038 4.298 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.239 -6.101 6.587 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.489 -5.927 5.371 1.00 0.00 H new ATOM 0 HG LEU A 87 5.501 -5.906 4.839 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.844 -3.512 4.354 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.257 -3.909 6.039 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.549 -3.663 4.840 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.137 -5.187 2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.854 -5.398 2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.767 -6.807 2.946 1.00 0.00 H new ATOM 1363 N GLN A 88 9.579 -9.007 5.615 1.00 0.00 N ATOM 1364 CA GLN A 88 10.678 -9.590 6.358 1.00 0.00 C ATOM 1365 C GLN A 88 11.690 -8.515 6.719 1.00 0.00 C ATOM 1366 O GLN A 88 12.496 -8.092 5.880 1.00 0.00 O ATOM 1367 CB GLN A 88 11.365 -10.693 5.551 1.00 0.00 C ATOM 1368 CG GLN A 88 12.474 -11.402 6.314 1.00 0.00 C ATOM 1369 CD GLN A 88 13.270 -12.357 5.445 1.00 0.00 C ATOM 1370 OE1 GLN A 88 12.749 -12.923 4.483 1.00 0.00 O ATOM 1371 NE2 GLN A 88 14.537 -12.544 5.778 1.00 0.00 N ATOM 0 H GLN A 88 9.680 -9.057 4.601 1.00 0.00 H new ATOM 0 HA GLN A 88 10.273 -10.031 7.269 1.00 0.00 H new ATOM 0 HB2 GLN A 88 10.619 -11.426 5.245 1.00 0.00 H new ATOM 0 HB3 GLN A 88 11.780 -10.261 4.640 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.148 -10.659 6.740 1.00 0.00 H new ATOM 0 HG3 GLN A 88 12.040 -11.953 7.148 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.930 -12.056 6.583 1.00 0.00 H new ATOM 0 HE22 GLN A 88 15.120 -13.176 5.230 1.00 0.00 H new ATOM 1380 N LEU A 89 11.624 -8.042 7.949 1.00 0.00 N ATOM 1381 CA LEU A 89 12.609 -7.104 8.439 1.00 0.00 C ATOM 1382 C LEU A 89 13.779 -7.864 9.032 1.00 0.00 C ATOM 1383 O LEU A 89 13.601 -8.888 9.687 1.00 0.00 O ATOM 1384 CB LEU A 89 12.009 -6.159 9.484 1.00 0.00 C ATOM 1385 CG LEU A 89 10.908 -5.236 8.964 1.00 0.00 C ATOM 1386 CD1 LEU A 89 10.398 -4.335 10.077 1.00 0.00 C ATOM 1387 CD2 LEU A 89 11.416 -4.401 7.799 1.00 0.00 C ATOM 0 H LEU A 89 10.901 -8.292 8.623 1.00 0.00 H new ATOM 0 HA LEU A 89 12.952 -6.496 7.602 1.00 0.00 H new ATOM 0 HB2 LEU A 89 11.606 -6.756 10.302 1.00 0.00 H new ATOM 0 HB3 LEU A 89 12.809 -5.547 9.900 1.00 0.00 H new ATOM 0 HG LEU A 89 10.082 -5.854 8.612 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.614 -3.685 9.688 1.00 0.00 H new ATOM 0 HD12 LEU A 89 9.995 -4.947 10.884 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.219 -3.727 10.458 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.618 -3.750 7.442 1.00 0.00 H new ATOM 0 HD22 LEU A 89 12.260 -3.794 8.127 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.735 -5.060 6.991 1.00 0.00 H new ATOM 1399 N GLU A 90 14.969 -7.381 8.772 1.00 0.00 N ATOM 1400 CA GLU A 90 16.165 -7.999 9.299 1.00 0.00 C ATOM 1401 C GLU A 90 16.943 -6.990 10.122 1.00 0.00 C ATOM 1402 O GLU A 90 16.586 -5.813 10.183 1.00 0.00 O ATOM 1403 CB GLU A 90 17.025 -8.553 8.161 1.00 0.00 C ATOM 1404 CG GLU A 90 17.361 -10.031 8.312 1.00 0.00 C ATOM 1405 CD GLU A 90 18.379 -10.307 9.404 1.00 0.00 C ATOM 1406 OE1 GLU A 90 18.043 -10.164 10.601 1.00 0.00 O ATOM 1407 OE2 GLU A 90 19.525 -10.665 9.066 1.00 0.00 O ATOM 0 H GLU A 90 15.137 -6.557 8.195 1.00 0.00 H new ATOM 0 HA GLU A 90 15.883 -8.832 9.943 1.00 0.00 H new ATOM 0 HB2 GLU A 90 16.503 -8.403 7.216 1.00 0.00 H new ATOM 0 HB3 GLU A 90 17.952 -7.982 8.107 1.00 0.00 H new ATOM 0 HG2 GLU A 90 16.447 -10.584 8.529 1.00 0.00 H new ATOM 0 HG3 GLU A 90 17.744 -10.408 7.364 1.00 0.00 H new ATOM 1414 N HIS A 91 17.991 -7.454 10.761 1.00 0.00 N ATOM 1415 CA HIS A 91 18.799 -6.607 11.613 1.00 0.00 C ATOM 1416 C HIS A 91 19.826 -5.849 10.785 1.00 0.00 C ATOM 1417 O HIS A 91 20.441 -6.412 9.882 1.00 0.00 O ATOM 1418 CB HIS A 91 19.510 -7.451 12.671 1.00 0.00 C ATOM 1419 CG HIS A 91 18.583 -8.198 13.581 1.00 0.00 C ATOM 1420 ND1 HIS A 91 17.925 -9.349 13.206 1.00 0.00 N ATOM 1421 CD2 HIS A 91 18.211 -7.956 14.859 1.00 0.00 C ATOM 1422 CE1 HIS A 91 17.191 -9.780 14.213 1.00 0.00 C ATOM 1423 NE2 HIS A 91 17.346 -8.954 15.230 1.00 0.00 N ATOM 0 H HIS A 91 18.308 -8.422 10.707 1.00 0.00 H new ATOM 0 HA HIS A 91 18.145 -5.889 12.108 1.00 0.00 H new ATOM 0 HB2 HIS A 91 20.165 -8.165 12.171 1.00 0.00 H new ATOM 0 HB3 HIS A 91 20.146 -6.801 13.272 1.00 0.00 H new ATOM 0 HD1 HIS A 91 17.995 -9.797 12.293 1.00 0.00 H new ATOM 0 HD2 HIS A 91 18.535 -7.129 15.474 1.00 0.00 H new ATOM 0 HE1 HIS A 91 16.567 -10.662 14.206 1.00 0.00 H new ATOM 1432 N HIS A 92 20.002 -4.569 11.094 1.00 0.00 N ATOM 1433 CA HIS A 92 21.052 -3.770 10.464 1.00 0.00 C ATOM 1434 C HIS A 92 22.411 -4.169 11.048 1.00 0.00 C ATOM 1435 O HIS A 92 23.454 -3.648 10.667 1.00 0.00 O ATOM 1436 CB HIS A 92 20.779 -2.272 10.677 1.00 0.00 C ATOM 1437 CG HIS A 92 21.710 -1.355 9.936 1.00 0.00 C ATOM 1438 ND1 HIS A 92 21.557 -1.033 8.603 1.00 0.00 N ATOM 1439 CD2 HIS A 92 22.808 -0.685 10.356 1.00 0.00 C ATOM 1440 CE1 HIS A 92 22.520 -0.208 8.241 1.00 0.00 C ATOM 1441 NE2 HIS A 92 23.292 0.021 9.284 1.00 0.00 N ATOM 0 H HIS A 92 19.435 -4.062 11.774 1.00 0.00 H new ATOM 0 HA HIS A 92 21.062 -3.959 9.391 1.00 0.00 H new ATOM 0 HB2 HIS A 92 19.756 -2.055 10.370 1.00 0.00 H new ATOM 0 HB3 HIS A 92 20.845 -2.052 11.743 1.00 0.00 H new ATOM 0 HD2 HIS A 92 23.226 -0.703 11.352 1.00 0.00 H new ATOM 0 HE1 HIS A 92 22.654 0.210 7.254 1.00 0.00 H new ATOM 0 HE2 HIS A 92 24.114 0.624 9.293 1.00 0.00 H new ATOM 1450 N HIS A 93 22.372 -5.104 11.985 1.00 0.00 N ATOM 1451 CA HIS A 93 23.578 -5.663 12.568 1.00 0.00 C ATOM 1452 C HIS A 93 23.804 -7.054 11.991 1.00 0.00 C ATOM 1453 O HIS A 93 22.871 -7.850 11.906 1.00 0.00 O ATOM 1454 CB HIS A 93 23.458 -5.761 14.094 1.00 0.00 C ATOM 1455 CG HIS A 93 23.078 -4.482 14.780 1.00 0.00 C ATOM 1456 ND1 HIS A 93 23.939 -3.419 14.936 1.00 0.00 N ATOM 1457 CD2 HIS A 93 21.915 -4.106 15.364 1.00 0.00 C ATOM 1458 CE1 HIS A 93 23.327 -2.448 15.588 1.00 0.00 C ATOM 1459 NE2 HIS A 93 22.094 -2.839 15.861 1.00 0.00 N ATOM 0 H HIS A 93 21.507 -5.494 12.360 1.00 0.00 H new ATOM 0 HA HIS A 93 24.418 -5.009 12.331 1.00 0.00 H new ATOM 0 HB2 HIS A 93 22.716 -6.522 14.338 1.00 0.00 H new ATOM 0 HB3 HIS A 93 24.411 -6.104 14.498 1.00 0.00 H new ATOM 0 HD2 HIS A 93 21.012 -4.695 15.427 1.00 0.00 H new ATOM 0 HE1 HIS A 93 23.760 -1.495 15.854 1.00 0.00 H new ATOM 0 HE2 HIS A 93 21.392 -2.290 16.358 1.00 0.00 H new ATOM 1468 N HIS A 94 25.035 -7.353 11.603 1.00 0.00 N ATOM 1469 CA HIS A 94 25.358 -8.662 11.038 1.00 0.00 C ATOM 1470 C HIS A 94 25.711 -9.654 12.141 1.00 0.00 C ATOM 1471 O HIS A 94 26.330 -10.689 11.896 1.00 0.00 O ATOM 1472 CB HIS A 94 26.504 -8.551 10.028 1.00 0.00 C ATOM 1473 CG HIS A 94 26.068 -8.052 8.683 1.00 0.00 C ATOM 1474 ND1 HIS A 94 26.318 -8.732 7.513 1.00 0.00 N ATOM 1475 CD2 HIS A 94 25.388 -6.937 8.326 1.00 0.00 C ATOM 1476 CE1 HIS A 94 25.813 -8.062 6.497 1.00 0.00 C ATOM 1477 NE2 HIS A 94 25.241 -6.967 6.961 1.00 0.00 N ATOM 0 H HIS A 94 25.826 -6.712 11.667 1.00 0.00 H new ATOM 0 HA HIS A 94 24.476 -9.031 10.514 1.00 0.00 H new ATOM 0 HB2 HIS A 94 27.265 -7.881 10.426 1.00 0.00 H new ATOM 0 HB3 HIS A 94 26.970 -9.529 9.910 1.00 0.00 H new ATOM 0 HD2 HIS A 94 25.028 -6.167 8.992 1.00 0.00 H new ATOM 0 HE1 HIS A 94 25.859 -8.359 5.460 1.00 0.00 H new ATOM 0 HE2 HIS A 94 24.768 -6.260 6.399 1.00 0.00 H new ATOM 1486 N HIS A 95 25.298 -9.329 13.357 1.00 0.00 N ATOM 1487 CA HIS A 95 25.481 -10.206 14.508 1.00 0.00 C ATOM 1488 C HIS A 95 24.112 -10.587 15.050 1.00 0.00 C ATOM 1489 O HIS A 95 23.976 -10.966 16.214 1.00 0.00 O ATOM 1490 CB HIS A 95 26.285 -9.505 15.610 1.00 0.00 C ATOM 1491 CG HIS A 95 27.571 -8.895 15.145 1.00 0.00 C ATOM 1492 ND1 HIS A 95 27.850 -7.554 15.272 1.00 0.00 N ATOM 1493 CD2 HIS A 95 28.653 -9.447 14.550 1.00 0.00 C ATOM 1494 CE1 HIS A 95 29.046 -7.306 14.774 1.00 0.00 C ATOM 1495 NE2 HIS A 95 29.556 -8.438 14.329 1.00 0.00 N ATOM 0 H HIS A 95 24.827 -8.451 13.575 1.00 0.00 H new ATOM 0 HA HIS A 95 26.031 -11.093 14.194 1.00 0.00 H new ATOM 0 HB2 HIS A 95 25.666 -8.725 16.054 1.00 0.00 H new ATOM 0 HB3 HIS A 95 26.503 -10.226 16.398 1.00 0.00 H new ATOM 0 HD2 HIS A 95 28.782 -10.489 14.296 1.00 0.00 H new ATOM 0 HE1 HIS A 95 29.526 -6.339 14.737 1.00 0.00 H new ATOM 0 HE2 HIS A 95 30.471 -8.546 13.892 1.00 0.00 H new ATOM 1504 N HIS A 96 23.113 -10.492 14.174 1.00 0.00 N ATOM 1505 CA HIS A 96 21.707 -10.633 14.548 1.00 0.00 C ATOM 1506 C HIS A 96 21.321 -9.513 15.503 1.00 0.00 C ATOM 1507 O HIS A 96 21.029 -9.794 16.680 1.00 0.00 O ATOM 1508 CB HIS A 96 21.407 -12.000 15.186 1.00 0.00 C ATOM 1509 CG HIS A 96 21.607 -13.172 14.274 1.00 0.00 C ATOM 1510 ND1 HIS A 96 20.768 -13.461 13.219 1.00 0.00 N ATOM 1511 CD2 HIS A 96 22.549 -14.143 14.276 1.00 0.00 C ATOM 1512 CE1 HIS A 96 21.184 -14.558 12.617 1.00 0.00 C ATOM 1513 NE2 HIS A 96 22.263 -14.994 13.237 1.00 0.00 N ATOM 1514 OXT HIS A 96 21.359 -8.338 15.079 1.00 0.00 O ATOM 0 H HIS A 96 23.257 -10.314 13.180 1.00 0.00 H new ATOM 0 HA HIS A 96 21.112 -10.568 13.637 1.00 0.00 H new ATOM 0 HB2 HIS A 96 22.044 -12.125 16.062 1.00 0.00 H new ATOM 0 HB3 HIS A 96 20.376 -12.003 15.539 1.00 0.00 H new ATOM 0 HD2 HIS A 96 23.374 -14.232 14.967 1.00 0.00 H new ATOM 0 HE1 HIS A 96 20.719 -15.022 11.760 1.00 0.00 H new ATOM 0 HE2 HIS A 96 22.797 -15.826 12.986 1.00 0.00 H new TER 1523 HIS A 96