USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 950 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 79 THR OG1 : rot 90:sc= 0.937 USER MOD Set 2.1: A 60 LYS NZ :NH3+ 149:sc= 0.446 (180deg=-1.18) USER MOD Set 2.2: A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -55:sc= 0.0647 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 35:sc= 1.28 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -3.53 K(o=-3.5,f=-11!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 156:sc= -0.112 (180deg=-0.626) USER MOD Single : A 29 HIS : no HD1:sc= -4.7 K(o=-4.7,f=-5.3!) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 33 THR OG1 : rot -6:sc= 0.863 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.191 K(o=-0.19,f=-0.91!) USER MOD Single : A 43 ASN : amide:sc= -0.0512 K(o=-0.051,f=-1.5) USER MOD Single : A 49 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.15) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.816 K(o=-0.82,f=-4.6!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= -0.0561 USER MOD Single : A 71 HIS : no HD1:sc= -0.0333 X(o=-0.033,f=-0.47) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc=-0.00418 X(o=-0.0042,f=-0.28) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 160:sc= 0.493 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 ASN : amide:sc= -0.0242 X(o=-0.024,f=0) USER MOD Single : A 103 MET CE :methyl -126:sc= -0.477 (180deg=-0.677) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ -172:sc= -0.0779 (180deg=-0.144) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 29.472 -33.754 -18.605 1.00 0.00 N ATOM 2 CA GLY A 1 30.054 -32.558 -18.025 1.00 0.00 C ATOM 3 C GLY A 1 29.057 -31.770 -17.199 1.00 0.00 C ATOM 4 O GLY A 1 28.572 -32.251 -16.175 1.00 0.00 O ATOM 0 H1 GLY A 1 30.194 -34.257 -19.160 1.00 0.00 H new ATOM 0 H2 GLY A 1 29.124 -34.374 -17.846 1.00 0.00 H new ATOM 0 H3 GLY A 1 28.681 -33.489 -19.226 1.00 0.00 H new ATOM 0 HA2 GLY A 1 30.901 -32.837 -17.398 1.00 0.00 H new ATOM 0 HA3 GLY A 1 30.443 -31.924 -18.822 1.00 0.00 H new ATOM 8 N SER A 2 28.752 -30.555 -17.643 1.00 0.00 N ATOM 9 CA SER A 2 27.810 -29.696 -16.934 1.00 0.00 C ATOM 10 C SER A 2 28.312 -29.384 -15.527 1.00 0.00 C ATOM 11 O SER A 2 27.543 -29.390 -14.566 1.00 0.00 O ATOM 12 CB SER A 2 26.435 -30.362 -16.861 1.00 0.00 C ATOM 13 OG SER A 2 25.425 -29.415 -16.560 1.00 0.00 O ATOM 0 H SER A 2 29.143 -30.143 -18.490 1.00 0.00 H new ATOM 0 HA SER A 2 27.724 -28.760 -17.486 1.00 0.00 H new ATOM 0 HB2 SER A 2 26.212 -30.847 -17.811 1.00 0.00 H new ATOM 0 HB3 SER A 2 26.445 -31.142 -16.100 1.00 0.00 H new ATOM 0 HG SER A 2 25.654 -28.945 -15.731 1.00 0.00 H new ATOM 19 N SER A 3 29.609 -29.111 -15.415 1.00 0.00 N ATOM 20 CA SER A 3 30.216 -28.801 -14.126 1.00 0.00 C ATOM 21 C SER A 3 31.264 -27.701 -14.270 1.00 0.00 C ATOM 22 O SER A 3 32.155 -27.784 -15.115 1.00 0.00 O ATOM 23 CB SER A 3 30.854 -30.054 -13.524 1.00 0.00 C ATOM 24 OG SER A 3 31.274 -29.821 -12.191 1.00 0.00 O ATOM 0 H SER A 3 30.259 -29.098 -16.201 1.00 0.00 H new ATOM 0 HA SER A 3 29.431 -28.446 -13.458 1.00 0.00 H new ATOM 0 HB2 SER A 3 30.139 -30.876 -13.545 1.00 0.00 H new ATOM 0 HB3 SER A 3 31.707 -30.358 -14.130 1.00 0.00 H new ATOM 0 HG SER A 3 31.677 -30.637 -11.828 1.00 0.00 H new ATOM 30 N GLY A 4 31.149 -26.670 -13.438 1.00 0.00 N ATOM 31 CA GLY A 4 32.093 -25.569 -13.488 1.00 0.00 C ATOM 32 C GLY A 4 32.029 -24.694 -12.252 1.00 0.00 C ATOM 33 O GLY A 4 31.379 -23.648 -12.256 1.00 0.00 O ATOM 0 H GLY A 4 30.420 -26.578 -12.731 1.00 0.00 H new ATOM 0 HA2 GLY A 4 33.103 -25.965 -13.597 1.00 0.00 H new ATOM 0 HA3 GLY A 4 31.892 -24.962 -14.370 1.00 0.00 H new ATOM 37 N SER A 5 32.703 -25.123 -11.190 1.00 0.00 N ATOM 38 CA SER A 5 32.716 -24.374 -9.939 1.00 0.00 C ATOM 39 C SER A 5 33.767 -24.931 -8.983 1.00 0.00 C ATOM 40 O SER A 5 33.769 -26.121 -8.669 1.00 0.00 O ATOM 41 CB SER A 5 31.336 -24.419 -9.279 1.00 0.00 C ATOM 42 OG SER A 5 30.497 -23.394 -9.782 1.00 0.00 O ATOM 0 H SER A 5 33.247 -25.985 -11.171 1.00 0.00 H new ATOM 0 HA SER A 5 32.969 -23.339 -10.167 1.00 0.00 H new ATOM 0 HB2 SER A 5 30.875 -25.391 -9.458 1.00 0.00 H new ATOM 0 HB3 SER A 5 31.442 -24.310 -8.200 1.00 0.00 H new ATOM 0 HG SER A 5 30.695 -23.245 -10.730 1.00 0.00 H new ATOM 48 N SER A 6 34.661 -24.060 -8.525 1.00 0.00 N ATOM 49 CA SER A 6 35.721 -24.463 -7.608 1.00 0.00 C ATOM 50 C SER A 6 35.544 -23.798 -6.247 1.00 0.00 C ATOM 51 O SER A 6 35.360 -22.585 -6.155 1.00 0.00 O ATOM 52 CB SER A 6 37.090 -24.105 -8.189 1.00 0.00 C ATOM 53 OG SER A 6 37.434 -24.973 -9.255 1.00 0.00 O ATOM 0 H SER A 6 34.672 -23.071 -8.774 1.00 0.00 H new ATOM 0 HA SER A 6 35.662 -25.543 -7.475 1.00 0.00 H new ATOM 0 HB2 SER A 6 37.080 -23.074 -8.544 1.00 0.00 H new ATOM 0 HB3 SER A 6 37.847 -24.166 -7.408 1.00 0.00 H new ATOM 0 HG SER A 6 38.312 -24.722 -9.610 1.00 0.00 H new ATOM 59 N GLY A 7 35.601 -24.603 -5.190 1.00 0.00 N ATOM 60 CA GLY A 7 35.445 -24.076 -3.847 1.00 0.00 C ATOM 61 C GLY A 7 34.014 -23.682 -3.541 1.00 0.00 C ATOM 62 O GLY A 7 33.148 -23.727 -4.415 1.00 0.00 O ATOM 0 H GLY A 7 35.752 -25.610 -5.240 1.00 0.00 H new ATOM 0 HA2 GLY A 7 35.775 -24.824 -3.126 1.00 0.00 H new ATOM 0 HA3 GLY A 7 36.092 -23.208 -3.723 1.00 0.00 H new ATOM 66 N THR A 8 33.761 -23.297 -2.294 1.00 0.00 N ATOM 67 CA THR A 8 32.424 -22.897 -1.873 1.00 0.00 C ATOM 68 C THR A 8 32.423 -21.474 -1.325 1.00 0.00 C ATOM 69 O THR A 8 31.517 -20.689 -1.609 1.00 0.00 O ATOM 70 CB THR A 8 31.864 -23.849 -0.800 1.00 0.00 C ATOM 71 OG1 THR A 8 30.548 -23.437 -0.418 1.00 0.00 O ATOM 72 CG2 THR A 8 32.768 -23.877 0.424 1.00 0.00 C ATOM 0 H THR A 8 34.465 -23.254 -1.557 1.00 0.00 H new ATOM 0 HA THR A 8 31.787 -22.944 -2.757 1.00 0.00 H new ATOM 0 HB THR A 8 31.821 -24.853 -1.223 1.00 0.00 H new ATOM 0 HG1 THR A 8 30.199 -24.049 0.263 1.00 0.00 H new ATOM 0 HG21 THR A 8 32.352 -24.556 1.168 1.00 0.00 H new ATOM 0 HG22 THR A 8 33.761 -24.220 0.135 1.00 0.00 H new ATOM 0 HG23 THR A 8 32.839 -22.875 0.847 1.00 0.00 H new ATOM 80 N LEU A 9 33.442 -21.148 -0.538 1.00 0.00 N ATOM 81 CA LEU A 9 33.559 -19.818 0.051 1.00 0.00 C ATOM 82 C LEU A 9 34.124 -18.824 -0.958 1.00 0.00 C ATOM 83 O LEU A 9 35.337 -18.644 -1.055 1.00 0.00 O ATOM 84 CB LEU A 9 34.451 -19.865 1.292 1.00 0.00 C ATOM 85 CG LEU A 9 33.815 -20.447 2.555 1.00 0.00 C ATOM 86 CD1 LEU A 9 34.888 -20.920 3.524 1.00 0.00 C ATOM 87 CD2 LEU A 9 32.909 -19.420 3.218 1.00 0.00 C ATOM 0 H LEU A 9 34.199 -21.786 -0.293 1.00 0.00 H new ATOM 0 HA LEU A 9 32.562 -19.487 0.341 1.00 0.00 H new ATOM 0 HB2 LEU A 9 35.339 -20.450 1.054 1.00 0.00 H new ATOM 0 HB3 LEU A 9 34.786 -18.852 1.512 1.00 0.00 H new ATOM 0 HG LEU A 9 33.208 -21.306 2.270 1.00 0.00 H new ATOM 0 HD11 LEU A 9 34.416 -21.331 4.417 1.00 0.00 H new ATOM 0 HD12 LEU A 9 35.495 -21.690 3.047 1.00 0.00 H new ATOM 0 HD13 LEU A 9 35.522 -20.079 3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 9 32.465 -19.852 4.115 1.00 0.00 H new ATOM 0 HD22 LEU A 9 33.493 -18.541 3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 9 32.119 -19.131 2.525 1.00 0.00 H new ATOM 99 N ALA A 10 33.235 -18.179 -1.707 1.00 0.00 N ATOM 100 CA ALA A 10 33.644 -17.200 -2.706 1.00 0.00 C ATOM 101 C ALA A 10 33.502 -15.778 -2.172 1.00 0.00 C ATOM 102 O ALA A 10 33.013 -14.890 -2.869 1.00 0.00 O ATOM 103 CB ALA A 10 32.829 -17.372 -3.979 1.00 0.00 C ATOM 0 H ALA A 10 32.227 -18.317 -1.640 1.00 0.00 H new ATOM 0 HA ALA A 10 34.696 -17.370 -2.936 1.00 0.00 H new ATOM 0 HB1 ALA A 10 33.145 -16.634 -4.716 1.00 0.00 H new ATOM 0 HB2 ALA A 10 32.985 -18.374 -4.378 1.00 0.00 H new ATOM 0 HB3 ALA A 10 31.771 -17.231 -3.756 1.00 0.00 H new ATOM 109 N GLN A 11 33.931 -15.572 -0.931 1.00 0.00 N ATOM 110 CA GLN A 11 33.849 -14.258 -0.304 1.00 0.00 C ATOM 111 C GLN A 11 35.212 -13.819 0.221 1.00 0.00 C ATOM 112 O GLN A 11 36.058 -14.637 0.581 1.00 0.00 O ATOM 113 CB GLN A 11 32.831 -14.277 0.838 1.00 0.00 C ATOM 114 CG GLN A 11 33.412 -14.742 2.163 1.00 0.00 C ATOM 115 CD GLN A 11 33.959 -16.154 2.097 1.00 0.00 C ATOM 116 OE1 GLN A 11 33.254 -17.089 1.715 1.00 0.00 O ATOM 117 NE2 GLN A 11 35.223 -16.318 2.470 1.00 0.00 N ATOM 0 H GLN A 11 34.338 -16.297 -0.340 1.00 0.00 H new ATOM 0 HA GLN A 11 33.524 -13.543 -1.059 1.00 0.00 H new ATOM 0 HB2 GLN A 11 32.419 -13.276 0.963 1.00 0.00 H new ATOM 0 HB3 GLN A 11 32.003 -14.931 0.565 1.00 0.00 H new ATOM 0 HG2 GLN A 11 34.208 -14.062 2.465 1.00 0.00 H new ATOM 0 HG3 GLN A 11 32.641 -14.691 2.931 1.00 0.00 H new ATOM 0 HE21 GLN A 11 35.771 -15.516 2.780 1.00 0.00 H new ATOM 0 HE22 GLN A 11 35.645 -17.246 2.447 1.00 0.00 H new ATOM 126 N PRO A 12 35.431 -12.497 0.267 1.00 0.00 N ATOM 127 CA PRO A 12 36.690 -11.919 0.747 1.00 0.00 C ATOM 128 C PRO A 12 36.876 -12.101 2.249 1.00 0.00 C ATOM 129 O PRO A 12 35.904 -12.153 3.003 1.00 0.00 O ATOM 130 CB PRO A 12 36.554 -10.435 0.400 1.00 0.00 C ATOM 131 CG PRO A 12 35.086 -10.188 0.357 1.00 0.00 C ATOM 132 CD PRO A 12 34.467 -11.463 -0.146 1.00 0.00 C ATOM 0 HA PRO A 12 37.558 -12.399 0.294 1.00 0.00 H new ATOM 0 HB2 PRO A 12 37.039 -9.808 1.148 1.00 0.00 H new ATOM 0 HB3 PRO A 12 37.022 -10.208 -0.558 1.00 0.00 H new ATOM 0 HG2 PRO A 12 34.704 -9.932 1.345 1.00 0.00 H new ATOM 0 HG3 PRO A 12 34.850 -9.353 -0.302 1.00 0.00 H new ATOM 0 HD2 PRO A 12 33.484 -11.632 0.293 1.00 0.00 H new ATOM 0 HD3 PRO A 12 34.335 -11.446 -1.228 1.00 0.00 H new ATOM 140 N VAL A 13 38.130 -12.196 2.679 1.00 0.00 N ATOM 141 CA VAL A 13 38.443 -12.370 4.092 1.00 0.00 C ATOM 142 C VAL A 13 38.321 -11.052 4.849 1.00 0.00 C ATOM 143 O VAL A 13 39.320 -10.474 5.278 1.00 0.00 O ATOM 144 CB VAL A 13 39.864 -12.932 4.288 1.00 0.00 C ATOM 145 CG1 VAL A 13 40.104 -13.279 5.749 1.00 0.00 C ATOM 146 CG2 VAL A 13 40.082 -14.147 3.399 1.00 0.00 C ATOM 0 H VAL A 13 38.946 -12.155 2.068 1.00 0.00 H new ATOM 0 HA VAL A 13 37.720 -13.083 4.490 1.00 0.00 H new ATOM 0 HB VAL A 13 40.583 -12.165 4.000 1.00 0.00 H new ATOM 0 HG11 VAL A 13 41.113 -13.674 5.868 1.00 0.00 H new ATOM 0 HG12 VAL A 13 39.991 -12.383 6.359 1.00 0.00 H new ATOM 0 HG13 VAL A 13 39.380 -14.029 6.068 1.00 0.00 H new ATOM 0 HG21 VAL A 13 41.091 -14.532 3.550 1.00 0.00 H new ATOM 0 HG22 VAL A 13 39.357 -14.920 3.655 1.00 0.00 H new ATOM 0 HG23 VAL A 13 39.955 -13.861 2.355 1.00 0.00 H new ATOM 156 N THR A 14 37.088 -10.580 5.010 1.00 0.00 N ATOM 157 CA THR A 14 36.835 -9.329 5.714 1.00 0.00 C ATOM 158 C THR A 14 35.415 -9.288 6.267 1.00 0.00 C ATOM 159 O THR A 14 34.512 -9.934 5.734 1.00 0.00 O ATOM 160 CB THR A 14 37.051 -8.113 4.794 1.00 0.00 C ATOM 161 OG1 THR A 14 37.063 -6.909 5.568 1.00 0.00 O ATOM 162 CG2 THR A 14 35.958 -8.032 3.739 1.00 0.00 C ATOM 0 H THR A 14 36.250 -11.045 4.662 1.00 0.00 H new ATOM 0 HA THR A 14 37.545 -9.281 6.539 1.00 0.00 H new ATOM 0 HB THR A 14 38.011 -8.231 4.292 1.00 0.00 H new ATOM 0 HG1 THR A 14 37.203 -6.141 4.976 1.00 0.00 H new ATOM 0 HG21 THR A 14 36.132 -7.165 3.101 1.00 0.00 H new ATOM 0 HG22 THR A 14 35.970 -8.937 3.132 1.00 0.00 H new ATOM 0 HG23 THR A 14 34.988 -7.935 4.227 1.00 0.00 H new ATOM 170 N ILE A 15 35.224 -8.525 7.338 1.00 0.00 N ATOM 171 CA ILE A 15 33.913 -8.399 7.962 1.00 0.00 C ATOM 172 C ILE A 15 33.297 -7.034 7.674 1.00 0.00 C ATOM 173 O ILE A 15 33.964 -6.005 7.780 1.00 0.00 O ATOM 174 CB ILE A 15 33.993 -8.602 9.486 1.00 0.00 C ATOM 175 CG1 ILE A 15 34.589 -9.974 9.809 1.00 0.00 C ATOM 176 CG2 ILE A 15 32.614 -8.457 10.113 1.00 0.00 C ATOM 177 CD1 ILE A 15 35.299 -10.025 11.143 1.00 0.00 C ATOM 0 H ILE A 15 35.961 -7.985 7.792 1.00 0.00 H new ATOM 0 HA ILE A 15 33.283 -9.178 7.533 1.00 0.00 H new ATOM 0 HB ILE A 15 34.644 -7.835 9.906 1.00 0.00 H new ATOM 0 HG12 ILE A 15 33.792 -10.718 9.802 1.00 0.00 H new ATOM 0 HG13 ILE A 15 35.291 -10.251 9.022 1.00 0.00 H new ATOM 0 HG21 ILE A 15 32.687 -8.603 11.191 1.00 0.00 H new ATOM 0 HG22 ILE A 15 32.224 -7.460 9.908 1.00 0.00 H new ATOM 0 HG23 ILE A 15 31.942 -9.204 9.690 1.00 0.00 H new ATOM 0 HD11 ILE A 15 35.696 -11.027 11.306 1.00 0.00 H new ATOM 0 HD12 ILE A 15 36.117 -9.305 11.147 1.00 0.00 H new ATOM 0 HD13 ILE A 15 34.596 -9.780 11.939 1.00 0.00 H new ATOM 189 N ARG A 16 32.018 -7.033 7.310 1.00 0.00 N ATOM 190 CA ARG A 16 31.311 -5.795 7.008 1.00 0.00 C ATOM 191 C ARG A 16 30.162 -5.572 7.987 1.00 0.00 C ATOM 192 O ARG A 16 29.742 -6.494 8.685 1.00 0.00 O ATOM 193 CB ARG A 16 30.776 -5.825 5.575 1.00 0.00 C ATOM 194 CG ARG A 16 29.954 -7.064 5.258 1.00 0.00 C ATOM 195 CD ARG A 16 28.560 -6.976 5.858 1.00 0.00 C ATOM 196 NE ARG A 16 27.577 -7.715 5.070 1.00 0.00 N ATOM 197 CZ ARG A 16 26.390 -8.085 5.536 1.00 0.00 C ATOM 198 NH1 ARG A 16 26.039 -7.787 6.780 1.00 0.00 N ATOM 199 NH2 ARG A 16 25.550 -8.756 4.758 1.00 0.00 N ATOM 0 H ARG A 16 31.451 -7.876 7.217 1.00 0.00 H new ATOM 0 HA ARG A 16 32.016 -4.970 7.108 1.00 0.00 H new ATOM 0 HB2 ARG A 16 30.163 -4.940 5.406 1.00 0.00 H new ATOM 0 HB3 ARG A 16 31.615 -5.769 4.882 1.00 0.00 H new ATOM 0 HG2 ARG A 16 29.879 -7.186 4.177 1.00 0.00 H new ATOM 0 HG3 ARG A 16 30.462 -7.948 5.644 1.00 0.00 H new ATOM 0 HD2 ARG A 16 28.578 -7.368 6.875 1.00 0.00 H new ATOM 0 HD3 ARG A 16 28.259 -5.930 5.924 1.00 0.00 H new ATOM 0 HE ARG A 16 27.815 -7.960 4.109 1.00 0.00 H new ATOM 0 HH11 ARG A 16 26.682 -7.272 7.382 1.00 0.00 H new ATOM 0 HH12 ARG A 16 25.126 -8.073 7.135 1.00 0.00 H new ATOM 0 HH21 ARG A 16 25.816 -8.988 3.801 1.00 0.00 H new ATOM 0 HH22 ARG A 16 24.638 -9.040 5.117 1.00 0.00 H new ATOM 213 N GLU A 17 29.659 -4.342 8.031 1.00 0.00 N ATOM 214 CA GLU A 17 28.559 -3.999 8.925 1.00 0.00 C ATOM 215 C GLU A 17 27.571 -3.062 8.237 1.00 0.00 C ATOM 216 O GLU A 17 27.947 -2.276 7.368 1.00 0.00 O ATOM 217 CB GLU A 17 29.095 -3.345 10.201 1.00 0.00 C ATOM 218 CG GLU A 17 29.762 -2.001 9.962 1.00 0.00 C ATOM 219 CD GLU A 17 30.757 -1.642 11.048 1.00 0.00 C ATOM 220 OE1 GLU A 17 30.413 -1.783 12.240 1.00 0.00 O ATOM 221 OE2 GLU A 17 31.882 -1.220 10.705 1.00 0.00 O ATOM 0 H GLU A 17 29.995 -3.567 7.459 1.00 0.00 H new ATOM 0 HA GLU A 17 28.038 -4.919 9.188 1.00 0.00 H new ATOM 0 HB2 GLU A 17 28.273 -3.213 10.905 1.00 0.00 H new ATOM 0 HB3 GLU A 17 29.812 -4.018 10.671 1.00 0.00 H new ATOM 0 HG2 GLU A 17 30.272 -2.019 8.999 1.00 0.00 H new ATOM 0 HG3 GLU A 17 28.998 -1.226 9.904 1.00 0.00 H new ATOM 228 N ILE A 18 26.305 -3.154 8.633 1.00 0.00 N ATOM 229 CA ILE A 18 25.263 -2.314 8.055 1.00 0.00 C ATOM 230 C ILE A 18 25.498 -0.843 8.381 1.00 0.00 C ATOM 231 O ILE A 18 26.121 -0.512 9.388 1.00 0.00 O ATOM 232 CB ILE A 18 23.866 -2.724 8.560 1.00 0.00 C ATOM 233 CG1 ILE A 18 23.597 -4.196 8.245 1.00 0.00 C ATOM 234 CG2 ILE A 18 22.797 -1.839 7.937 1.00 0.00 C ATOM 235 CD1 ILE A 18 22.460 -4.789 9.048 1.00 0.00 C ATOM 0 H ILE A 18 25.977 -3.801 9.350 1.00 0.00 H new ATOM 0 HA ILE A 18 25.306 -2.455 6.975 1.00 0.00 H new ATOM 0 HB ILE A 18 23.834 -2.592 9.642 1.00 0.00 H new ATOM 0 HG12 ILE A 18 23.372 -4.297 7.183 1.00 0.00 H new ATOM 0 HG13 ILE A 18 24.503 -4.771 8.435 1.00 0.00 H new ATOM 0 HG21 ILE A 18 21.816 -2.141 8.303 1.00 0.00 H new ATOM 0 HG22 ILE A 18 22.982 -0.800 8.208 1.00 0.00 H new ATOM 0 HG23 ILE A 18 22.827 -1.942 6.852 1.00 0.00 H new ATOM 0 HD11 ILE A 18 22.326 -5.835 8.772 1.00 0.00 H new ATOM 0 HD12 ILE A 18 22.691 -4.721 10.111 1.00 0.00 H new ATOM 0 HD13 ILE A 18 21.542 -4.239 8.840 1.00 0.00 H new ATOM 247 N ALA A 19 24.992 0.035 7.521 1.00 0.00 N ATOM 248 CA ALA A 19 25.144 1.471 7.719 1.00 0.00 C ATOM 249 C ALA A 19 24.000 2.034 8.556 1.00 0.00 C ATOM 250 O ALA A 19 24.224 2.794 9.497 1.00 0.00 O ATOM 251 CB ALA A 19 25.218 2.184 6.376 1.00 0.00 C ATOM 0 H ALA A 19 24.474 -0.223 6.681 1.00 0.00 H new ATOM 0 HA ALA A 19 26.074 1.642 8.261 1.00 0.00 H new ATOM 0 HB1 ALA A 19 25.331 3.256 6.539 1.00 0.00 H new ATOM 0 HB2 ALA A 19 26.073 1.810 5.812 1.00 0.00 H new ATOM 0 HB3 ALA A 19 24.303 1.997 5.814 1.00 0.00 H new ATOM 257 N GLU A 20 22.775 1.655 8.206 1.00 0.00 N ATOM 258 CA GLU A 20 21.596 2.124 8.925 1.00 0.00 C ATOM 259 C GLU A 20 20.450 1.124 8.803 1.00 0.00 C ATOM 260 O GLU A 20 20.133 0.634 7.719 1.00 0.00 O ATOM 261 CB GLU A 20 21.155 3.489 8.392 1.00 0.00 C ATOM 262 CG GLU A 20 20.357 4.305 9.394 1.00 0.00 C ATOM 263 CD GLU A 20 21.192 4.757 10.576 1.00 0.00 C ATOM 264 OE1 GLU A 20 22.275 5.336 10.349 1.00 0.00 O ATOM 265 OE2 GLU A 20 20.764 4.531 11.727 1.00 0.00 O ATOM 0 H GLU A 20 22.573 1.025 7.430 1.00 0.00 H new ATOM 0 HA GLU A 20 21.860 2.221 9.978 1.00 0.00 H new ATOM 0 HB2 GLU A 20 22.037 4.056 8.095 1.00 0.00 H new ATOM 0 HB3 GLU A 20 20.554 3.342 7.495 1.00 0.00 H new ATOM 0 HG2 GLU A 20 19.939 5.179 8.894 1.00 0.00 H new ATOM 0 HG3 GLU A 20 19.517 3.711 9.754 1.00 0.00 H new ATOM 272 N PRO A 21 19.814 0.812 9.942 1.00 0.00 N ATOM 273 CA PRO A 21 18.694 -0.133 9.989 1.00 0.00 C ATOM 274 C PRO A 21 17.439 0.423 9.326 1.00 0.00 C ATOM 275 O PRO A 21 17.181 1.627 9.340 1.00 0.00 O ATOM 276 CB PRO A 21 18.462 -0.332 11.489 1.00 0.00 C ATOM 277 CG PRO A 21 18.982 0.912 12.122 1.00 0.00 C ATOM 278 CD PRO A 21 20.139 1.357 11.270 1.00 0.00 C ATOM 0 HA PRO A 21 18.915 -1.055 9.451 1.00 0.00 H new ATOM 0 HB2 PRO A 21 17.404 -0.476 11.710 1.00 0.00 H new ATOM 0 HB3 PRO A 21 18.988 -1.213 11.857 1.00 0.00 H new ATOM 0 HG2 PRO A 21 18.210 1.680 12.164 1.00 0.00 H new ATOM 0 HG3 PRO A 21 19.302 0.724 13.147 1.00 0.00 H new ATOM 0 HD2 PRO A 21 20.227 2.443 11.248 1.00 0.00 H new ATOM 0 HD3 PRO A 21 21.086 0.968 11.643 1.00 0.00 H new ATOM 286 N PRO A 22 16.638 -0.473 8.730 1.00 0.00 N ATOM 287 CA PRO A 22 15.395 -0.094 8.050 1.00 0.00 C ATOM 288 C PRO A 22 14.317 0.366 9.026 1.00 0.00 C ATOM 289 O PRO A 22 14.298 -0.046 10.186 1.00 0.00 O ATOM 290 CB PRO A 22 14.966 -1.387 7.350 1.00 0.00 C ATOM 291 CG PRO A 22 15.584 -2.477 8.156 1.00 0.00 C ATOM 292 CD PRO A 22 16.883 -1.924 8.674 1.00 0.00 C ATOM 0 HA PRO A 22 15.541 0.747 7.372 1.00 0.00 H new ATOM 0 HB2 PRO A 22 13.880 -1.481 7.323 1.00 0.00 H new ATOM 0 HB3 PRO A 22 15.314 -1.412 6.317 1.00 0.00 H new ATOM 0 HG2 PRO A 22 14.931 -2.773 8.977 1.00 0.00 H new ATOM 0 HG3 PRO A 22 15.753 -3.365 7.547 1.00 0.00 H new ATOM 0 HD2 PRO A 22 17.129 -2.328 9.656 1.00 0.00 H new ATOM 0 HD3 PRO A 22 17.715 -2.166 8.013 1.00 0.00 H new ATOM 300 N LYS A 23 13.421 1.223 8.549 1.00 0.00 N ATOM 301 CA LYS A 23 12.338 1.738 9.378 1.00 0.00 C ATOM 302 C LYS A 23 11.271 2.413 8.522 1.00 0.00 C ATOM 303 O LYS A 23 11.504 3.478 7.949 1.00 0.00 O ATOM 304 CB LYS A 23 12.884 2.731 10.407 1.00 0.00 C ATOM 305 CG LYS A 23 11.920 3.021 11.544 1.00 0.00 C ATOM 306 CD LYS A 23 12.003 1.960 12.629 1.00 0.00 C ATOM 307 CE LYS A 23 13.160 2.224 13.580 1.00 0.00 C ATOM 308 NZ LYS A 23 12.993 3.508 14.314 1.00 0.00 N ATOM 0 H LYS A 23 13.423 1.576 7.592 1.00 0.00 H new ATOM 0 HA LYS A 23 11.882 0.897 9.900 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.813 2.339 10.821 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.129 3.666 9.903 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.144 3.998 11.972 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.902 3.068 11.157 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.068 1.937 13.189 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.124 0.978 12.171 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.237 1.405 14.295 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.094 2.246 13.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.534 3.473 15.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.342 4.292 13.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.986 3.657 14.528 1.00 0.00 H new ATOM 322 N ILE A 24 10.101 1.788 8.441 1.00 0.00 N ATOM 323 CA ILE A 24 8.999 2.330 7.657 1.00 0.00 C ATOM 324 C ILE A 24 8.227 3.381 8.447 1.00 0.00 C ATOM 325 O ILE A 24 7.315 3.054 9.208 1.00 0.00 O ATOM 326 CB ILE A 24 8.026 1.222 7.212 1.00 0.00 C ATOM 327 CG1 ILE A 24 8.767 0.161 6.394 1.00 0.00 C ATOM 328 CG2 ILE A 24 6.881 1.815 6.405 1.00 0.00 C ATOM 329 CD1 ILE A 24 7.939 -1.073 6.115 1.00 0.00 C ATOM 0 H ILE A 24 9.892 0.906 8.909 1.00 0.00 H new ATOM 0 HA ILE A 24 9.438 2.793 6.773 1.00 0.00 H new ATOM 0 HB ILE A 24 7.611 0.746 8.100 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.083 0.599 5.447 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.672 -0.131 6.927 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.202 1.019 6.098 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.340 2.537 7.017 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.279 2.314 5.521 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.527 -1.781 5.532 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.645 -1.535 7.058 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.047 -0.794 5.554 1.00 0.00 H new ATOM 341 N ARG A 25 8.597 4.643 8.261 1.00 0.00 N ATOM 342 CA ARG A 25 7.938 5.743 8.956 1.00 0.00 C ATOM 343 C ARG A 25 6.556 6.008 8.368 1.00 0.00 C ATOM 344 O ARG A 25 6.427 6.620 7.307 1.00 0.00 O ATOM 345 CB ARG A 25 8.791 7.010 8.873 1.00 0.00 C ATOM 346 CG ARG A 25 10.207 6.827 9.393 1.00 0.00 C ATOM 347 CD ARG A 25 10.274 7.001 10.902 1.00 0.00 C ATOM 348 NE ARG A 25 9.850 8.335 11.318 1.00 0.00 N ATOM 349 CZ ARG A 25 8.602 8.636 11.662 1.00 0.00 C ATOM 350 NH1 ARG A 25 7.661 7.702 11.639 1.00 0.00 N ATOM 351 NH2 ARG A 25 8.294 9.873 12.029 1.00 0.00 N ATOM 0 H ARG A 25 9.349 4.930 7.635 1.00 0.00 H new ATOM 0 HA ARG A 25 7.820 5.460 10.002 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.834 7.341 7.835 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.304 7.803 9.441 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.569 5.835 9.124 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.868 7.549 8.913 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.642 6.254 11.382 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.294 6.822 11.243 1.00 0.00 H new ATOM 0 HE ARG A 25 10.550 9.076 11.346 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.894 6.750 11.357 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.704 7.936 11.903 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.015 10.594 12.047 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.336 10.103 12.293 1.00 0.00 H new ATOM 365 N LEU A 26 5.524 5.542 9.064 1.00 0.00 N ATOM 366 CA LEU A 26 4.150 5.728 8.611 1.00 0.00 C ATOM 367 C LEU A 26 3.593 7.064 9.093 1.00 0.00 C ATOM 368 O LEU A 26 3.789 7.468 10.240 1.00 0.00 O ATOM 369 CB LEU A 26 3.267 4.584 9.112 1.00 0.00 C ATOM 370 CG LEU A 26 3.145 3.374 8.185 1.00 0.00 C ATOM 371 CD1 LEU A 26 2.494 2.208 8.912 1.00 0.00 C ATOM 372 CD2 LEU A 26 2.354 3.736 6.937 1.00 0.00 C ATOM 0 H LEU A 26 5.613 5.033 9.943 1.00 0.00 H new ATOM 0 HA LEU A 26 4.151 5.728 7.521 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.657 4.244 10.071 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.267 4.977 9.296 1.00 0.00 H new ATOM 0 HG LEU A 26 4.147 3.071 7.880 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.416 1.356 8.237 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.101 1.933 9.775 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.498 2.498 9.247 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.277 2.863 6.289 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.355 4.065 7.222 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.862 4.540 6.404 1.00 0.00 H new ATOM 384 N PRO A 27 2.880 7.766 8.200 1.00 0.00 N ATOM 385 CA PRO A 27 2.278 9.065 8.513 1.00 0.00 C ATOM 386 C PRO A 27 1.115 8.944 9.492 1.00 0.00 C ATOM 387 O PRO A 27 0.932 7.906 10.127 1.00 0.00 O ATOM 388 CB PRO A 27 1.782 9.563 7.153 1.00 0.00 C ATOM 389 CG PRO A 27 1.565 8.326 6.352 1.00 0.00 C ATOM 390 CD PRO A 27 2.607 7.345 6.816 1.00 0.00 C ATOM 0 HA PRO A 27 2.987 9.737 8.996 1.00 0.00 H new ATOM 0 HB2 PRO A 27 0.860 10.136 7.254 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.514 10.217 6.680 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.561 7.932 6.507 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.667 8.528 5.286 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.241 6.319 6.773 1.00 0.00 H new ATOM 0 HD3 PRO A 27 3.504 7.389 6.198 1.00 0.00 H new ATOM 398 N ARG A 28 0.333 10.012 9.609 1.00 0.00 N ATOM 399 CA ARG A 28 -0.812 10.026 10.511 1.00 0.00 C ATOM 400 C ARG A 28 -2.105 9.736 9.754 1.00 0.00 C ATOM 401 O ARG A 28 -3.093 9.290 10.339 1.00 0.00 O ATOM 402 CB ARG A 28 -0.915 11.378 11.219 1.00 0.00 C ATOM 403 CG ARG A 28 -1.971 11.415 12.311 1.00 0.00 C ATOM 404 CD ARG A 28 -1.397 10.995 13.655 1.00 0.00 C ATOM 405 NE ARG A 28 -2.107 11.615 14.771 1.00 0.00 N ATOM 406 CZ ARG A 28 -1.931 11.264 16.040 1.00 0.00 C ATOM 407 NH1 ARG A 28 -1.072 10.304 16.353 1.00 0.00 N ATOM 408 NH2 ARG A 28 -2.614 11.875 17.000 1.00 0.00 N ATOM 0 H ARG A 28 0.472 10.879 9.090 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.664 9.244 11.256 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.053 11.626 11.653 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.140 12.148 10.482 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.381 12.422 12.388 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.796 10.754 12.044 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.450 9.910 13.749 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.343 11.267 13.700 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.774 12.358 14.565 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.544 9.833 15.618 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.939 10.037 17.328 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.275 12.615 16.764 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.478 11.605 17.974 1.00 0.00 H new ATOM 422 N HIS A 29 -2.091 9.992 8.450 1.00 0.00 N ATOM 423 CA HIS A 29 -3.262 9.759 7.613 1.00 0.00 C ATOM 424 C HIS A 29 -3.364 8.289 7.219 1.00 0.00 C ATOM 425 O HIS A 29 -4.386 7.845 6.693 1.00 0.00 O ATOM 426 CB HIS A 29 -3.201 10.632 6.358 1.00 0.00 C ATOM 427 CG HIS A 29 -1.820 10.773 5.795 1.00 0.00 C ATOM 428 ND1 HIS A 29 -1.295 9.904 4.862 1.00 0.00 N ATOM 429 CD2 HIS A 29 -0.855 11.692 6.036 1.00 0.00 C ATOM 430 CE1 HIS A 29 -0.067 10.280 4.555 1.00 0.00 C ATOM 431 NE2 HIS A 29 0.224 11.363 5.253 1.00 0.00 N ATOM 0 H HIS A 29 -1.282 10.361 7.950 1.00 0.00 H new ATOM 0 HA HIS A 29 -4.148 10.025 8.189 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -3.854 10.205 5.596 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -3.591 11.622 6.594 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -0.922 12.528 6.717 1.00 0.00 H new ATOM 0 HE1 HIS A 29 0.588 9.786 3.853 1.00 0.00 H new ATOM 0 HE2 HIS A 29 1.107 11.872 5.216 1.00 0.00 H new ATOM 440 N LEU A 30 -2.300 7.537 7.476 1.00 0.00 N ATOM 441 CA LEU A 30 -2.269 6.116 7.148 1.00 0.00 C ATOM 442 C LEU A 30 -2.275 5.265 8.414 1.00 0.00 C ATOM 443 O LEU A 30 -1.887 4.097 8.390 1.00 0.00 O ATOM 444 CB LEU A 30 -1.032 5.793 6.308 1.00 0.00 C ATOM 445 CG LEU A 30 -0.959 6.462 4.935 1.00 0.00 C ATOM 446 CD1 LEU A 30 0.234 5.940 4.150 1.00 0.00 C ATOM 447 CD2 LEU A 30 -2.250 6.234 4.162 1.00 0.00 C ATOM 0 H LEU A 30 -1.447 7.888 7.911 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.163 5.882 6.571 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.147 6.079 6.876 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.985 4.713 6.167 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.831 7.535 5.081 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.270 6.427 3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.152 6.155 4.697 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.137 4.863 4.014 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.181 6.717 3.187 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.409 5.164 4.026 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.087 6.657 4.718 1.00 0.00 H new ATOM 459 N ARG A 31 -2.720 5.857 9.517 1.00 0.00 N ATOM 460 CA ARG A 31 -2.777 5.153 10.792 1.00 0.00 C ATOM 461 C ARG A 31 -4.121 4.451 10.965 1.00 0.00 C ATOM 462 O ARG A 31 -4.192 3.356 11.524 1.00 0.00 O ATOM 463 CB ARG A 31 -2.547 6.128 11.949 1.00 0.00 C ATOM 464 CG ARG A 31 -1.108 6.605 12.066 1.00 0.00 C ATOM 465 CD ARG A 31 -0.882 7.382 13.353 1.00 0.00 C ATOM 466 NE ARG A 31 -0.484 6.511 14.456 1.00 0.00 N ATOM 467 CZ ARG A 31 0.768 6.126 14.673 1.00 0.00 C ATOM 468 NH1 ARG A 31 1.740 6.533 13.868 1.00 0.00 N ATOM 469 NH2 ARG A 31 1.051 5.332 15.698 1.00 0.00 N ATOM 0 H ARG A 31 -3.046 6.823 9.553 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.989 4.400 10.798 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.198 6.992 11.820 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.838 5.646 12.882 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.436 5.748 12.034 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.862 7.235 11.211 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.112 8.136 13.191 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.796 7.912 13.621 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.208 6.180 15.094 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.527 7.144 13.079 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.701 6.235 14.038 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.306 5.017 16.320 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.013 5.037 15.864 1.00 0.00 H new ATOM 483 N GLN A 32 -5.183 5.089 10.483 1.00 0.00 N ATOM 484 CA GLN A 32 -6.524 4.525 10.586 1.00 0.00 C ATOM 485 C GLN A 32 -6.969 3.934 9.253 1.00 0.00 C ATOM 486 O GLN A 32 -7.031 2.715 9.092 1.00 0.00 O ATOM 487 CB GLN A 32 -7.517 5.597 11.040 1.00 0.00 C ATOM 488 CG GLN A 32 -7.197 6.184 12.405 1.00 0.00 C ATOM 489 CD GLN A 32 -8.010 7.426 12.711 1.00 0.00 C ATOM 490 OE1 GLN A 32 -9.000 7.715 12.039 1.00 0.00 O ATOM 491 NE2 GLN A 32 -7.596 8.169 13.731 1.00 0.00 N ATOM 0 H GLN A 32 -5.141 5.996 10.018 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.500 3.726 11.327 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.534 6.400 10.303 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -8.518 5.166 11.065 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.385 5.433 13.172 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -6.136 6.428 12.451 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.770 7.892 14.261 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.104 9.016 13.984 1.00 0.00 H new ATOM 500 N THR A 33 -7.280 4.806 8.298 1.00 0.00 N ATOM 501 CA THR A 33 -7.721 4.370 6.980 1.00 0.00 C ATOM 502 C THR A 33 -7.675 5.518 5.977 1.00 0.00 C ATOM 503 O THR A 33 -7.927 6.672 6.328 1.00 0.00 O ATOM 504 CB THR A 33 -9.152 3.802 7.026 1.00 0.00 C ATOM 505 OG1 THR A 33 -9.174 2.592 7.791 1.00 0.00 O ATOM 506 CG2 THR A 33 -9.671 3.529 5.622 1.00 0.00 C ATOM 0 H THR A 33 -7.234 5.818 8.414 1.00 0.00 H new ATOM 0 HA THR A 33 -7.036 3.584 6.661 1.00 0.00 H new ATOM 0 HB THR A 33 -9.798 4.542 7.498 1.00 0.00 H new ATOM 0 HG1 THR A 33 -8.258 2.341 8.032 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.683 3.128 5.680 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.680 4.457 5.051 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.022 2.806 5.128 1.00 0.00 H new ATOM 514 N TYR A 34 -7.352 5.195 4.730 1.00 0.00 N ATOM 515 CA TYR A 34 -7.272 6.201 3.677 1.00 0.00 C ATOM 516 C TYR A 34 -8.582 6.281 2.899 1.00 0.00 C ATOM 517 O TYR A 34 -8.852 5.452 2.030 1.00 0.00 O ATOM 518 CB TYR A 34 -6.119 5.880 2.724 1.00 0.00 C ATOM 519 CG TYR A 34 -5.636 7.075 1.934 1.00 0.00 C ATOM 520 CD1 TYR A 34 -5.231 8.239 2.575 1.00 0.00 C ATOM 521 CD2 TYR A 34 -5.586 7.040 0.546 1.00 0.00 C ATOM 522 CE1 TYR A 34 -4.791 9.334 1.857 1.00 0.00 C ATOM 523 CE2 TYR A 34 -5.146 8.130 -0.181 1.00 0.00 C ATOM 524 CZ TYR A 34 -4.749 9.274 0.479 1.00 0.00 C ATOM 525 OH TYR A 34 -4.311 10.362 -0.241 1.00 0.00 O ATOM 0 H TYR A 34 -7.141 4.245 4.423 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.090 7.168 4.146 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.286 5.474 3.298 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.438 5.101 2.031 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.261 8.289 3.653 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.896 6.146 0.026 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.482 10.232 2.371 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.113 8.086 -1.260 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.342 10.155 -1.198 1.00 0.00 H new ATOM 535 N ILE A 35 -9.390 7.286 3.217 1.00 0.00 N ATOM 536 CA ILE A 35 -10.671 7.477 2.548 1.00 0.00 C ATOM 537 C ILE A 35 -10.518 8.350 1.307 1.00 0.00 C ATOM 538 O ILE A 35 -10.120 9.512 1.398 1.00 0.00 O ATOM 539 CB ILE A 35 -11.708 8.119 3.489 1.00 0.00 C ATOM 540 CG1 ILE A 35 -11.797 7.332 4.798 1.00 0.00 C ATOM 541 CG2 ILE A 35 -13.068 8.186 2.811 1.00 0.00 C ATOM 542 CD1 ILE A 35 -12.585 6.047 4.678 1.00 0.00 C ATOM 0 H ILE A 35 -9.181 7.981 3.934 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.023 6.489 2.253 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.388 9.135 3.719 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.789 7.100 5.142 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -12.257 7.961 5.560 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -13.790 8.642 3.488 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -12.993 8.785 1.904 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.397 7.179 2.555 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -12.606 5.542 5.644 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -13.604 6.273 4.364 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.113 5.399 3.940 1.00 0.00 H new ATOM 554 N ARG A 36 -10.837 7.784 0.148 1.00 0.00 N ATOM 555 CA ARG A 36 -10.736 8.511 -1.111 1.00 0.00 C ATOM 556 C ARG A 36 -11.972 8.276 -1.975 1.00 0.00 C ATOM 557 O ARG A 36 -12.701 7.303 -1.784 1.00 0.00 O ATOM 558 CB ARG A 36 -9.480 8.082 -1.872 1.00 0.00 C ATOM 559 CG ARG A 36 -8.232 8.849 -1.467 1.00 0.00 C ATOM 560 CD ARG A 36 -8.410 10.347 -1.662 1.00 0.00 C ATOM 561 NE ARG A 36 -7.140 11.021 -1.913 1.00 0.00 N ATOM 562 CZ ARG A 36 -6.972 12.335 -1.809 1.00 0.00 C ATOM 563 NH1 ARG A 36 -7.988 13.111 -1.460 1.00 0.00 N ATOM 564 NH2 ARG A 36 -5.785 12.875 -2.054 1.00 0.00 N ATOM 0 H ARG A 36 -11.168 6.824 0.055 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.670 9.575 -0.883 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.312 7.018 -1.708 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.649 8.217 -2.940 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.000 8.642 -0.422 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.383 8.503 -2.057 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.087 10.526 -2.498 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.878 10.775 -0.776 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.337 10.452 -2.183 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.902 12.700 -1.270 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.856 14.119 -1.381 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.000 12.281 -2.323 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.657 13.884 -1.974 1.00 0.00 H new ATOM 578 N LYS A 37 -12.201 9.174 -2.927 1.00 0.00 N ATOM 579 CA LYS A 37 -13.347 9.066 -3.822 1.00 0.00 C ATOM 580 C LYS A 37 -12.981 8.294 -5.085 1.00 0.00 C ATOM 581 O LYS A 37 -11.804 8.159 -5.422 1.00 0.00 O ATOM 582 CB LYS A 37 -13.863 10.458 -4.193 1.00 0.00 C ATOM 583 CG LYS A 37 -14.859 11.025 -3.196 1.00 0.00 C ATOM 584 CD LYS A 37 -15.853 11.956 -3.868 1.00 0.00 C ATOM 585 CE LYS A 37 -15.202 13.271 -4.268 1.00 0.00 C ATOM 586 NZ LYS A 37 -16.198 14.245 -4.797 1.00 0.00 N ATOM 0 H LYS A 37 -11.607 9.986 -3.099 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.134 8.521 -3.300 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -13.016 11.140 -4.275 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.332 10.412 -5.176 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.394 10.209 -2.711 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.325 11.565 -2.414 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.268 11.471 -4.751 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.685 12.152 -3.191 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.695 13.703 -3.405 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.440 13.084 -5.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.715 15.128 -5.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -16.664 13.844 -5.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -16.911 14.444 -4.067 1.00 0.00 H new ATOM 600 N VAL A 38 -13.995 7.791 -5.781 1.00 0.00 N ATOM 601 CA VAL A 38 -13.779 7.035 -7.009 1.00 0.00 C ATOM 602 C VAL A 38 -13.225 7.927 -8.113 1.00 0.00 C ATOM 603 O VAL A 38 -13.577 9.102 -8.213 1.00 0.00 O ATOM 604 CB VAL A 38 -15.083 6.378 -7.500 1.00 0.00 C ATOM 605 CG1 VAL A 38 -14.843 5.620 -8.797 1.00 0.00 C ATOM 606 CG2 VAL A 38 -15.651 5.457 -6.431 1.00 0.00 C ATOM 0 H VAL A 38 -14.975 7.893 -5.516 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.053 6.256 -6.778 1.00 0.00 H new ATOM 0 HB VAL A 38 -15.814 7.163 -7.696 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -15.775 5.162 -9.129 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.485 6.310 -9.561 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -14.096 4.843 -8.632 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -16.572 5.002 -6.795 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -14.926 4.676 -6.201 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -15.862 6.033 -5.530 1.00 0.00 H new ATOM 616 N GLY A 39 -12.354 7.361 -8.943 1.00 0.00 N ATOM 617 CA GLY A 39 -11.764 8.119 -10.031 1.00 0.00 C ATOM 618 C GLY A 39 -10.618 8.998 -9.571 1.00 0.00 C ATOM 619 O GLY A 39 -9.605 9.118 -10.259 1.00 0.00 O ATOM 0 H GLY A 39 -12.046 6.390 -8.881 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.405 7.431 -10.796 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.531 8.740 -10.495 1.00 0.00 H new ATOM 623 N GLU A 40 -10.778 9.614 -8.404 1.00 0.00 N ATOM 624 CA GLU A 40 -9.748 10.488 -7.854 1.00 0.00 C ATOM 625 C GLU A 40 -8.376 9.824 -7.925 1.00 0.00 C ATOM 626 O GLU A 40 -8.273 8.604 -8.054 1.00 0.00 O ATOM 627 CB GLU A 40 -10.077 10.852 -6.405 1.00 0.00 C ATOM 628 CG GLU A 40 -10.917 12.110 -6.269 1.00 0.00 C ATOM 629 CD GLU A 40 -10.093 13.378 -6.388 1.00 0.00 C ATOM 630 OE1 GLU A 40 -9.103 13.515 -5.641 1.00 0.00 O ATOM 631 OE2 GLU A 40 -10.440 14.233 -7.230 1.00 0.00 O ATOM 0 H GLU A 40 -11.610 9.524 -7.821 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.723 11.399 -8.453 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.607 10.020 -5.942 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.147 10.985 -5.853 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.691 12.111 -7.037 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.425 12.101 -5.305 1.00 0.00 H new ATOM 638 N GLN A 41 -7.327 10.635 -7.841 1.00 0.00 N ATOM 639 CA GLN A 41 -5.962 10.127 -7.897 1.00 0.00 C ATOM 640 C GLN A 41 -5.471 9.731 -6.509 1.00 0.00 C ATOM 641 O GLN A 41 -5.701 10.444 -5.531 1.00 0.00 O ATOM 642 CB GLN A 41 -5.028 11.177 -8.501 1.00 0.00 C ATOM 643 CG GLN A 41 -5.099 11.254 -10.018 1.00 0.00 C ATOM 644 CD GLN A 41 -4.560 12.563 -10.561 1.00 0.00 C ATOM 645 OE1 GLN A 41 -3.348 12.774 -10.614 1.00 0.00 O ATOM 646 NE2 GLN A 41 -5.460 13.450 -10.969 1.00 0.00 N ATOM 0 H GLN A 41 -7.396 11.647 -7.734 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.958 9.240 -8.531 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.275 12.153 -8.084 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.003 10.953 -8.204 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.534 10.427 -10.447 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.134 11.132 -10.336 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.455 13.233 -10.907 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.157 14.348 -11.345 1.00 0.00 H new ATOM 655 N LEU A 42 -4.795 8.590 -6.429 1.00 0.00 N ATOM 656 CA LEU A 42 -4.272 8.098 -5.159 1.00 0.00 C ATOM 657 C LEU A 42 -2.796 8.452 -5.005 1.00 0.00 C ATOM 658 O LEU A 42 -2.044 8.459 -5.978 1.00 0.00 O ATOM 659 CB LEU A 42 -4.457 6.583 -5.060 1.00 0.00 C ATOM 660 CG LEU A 42 -5.900 6.090 -4.936 1.00 0.00 C ATOM 661 CD1 LEU A 42 -6.030 4.678 -5.486 1.00 0.00 C ATOM 662 CD2 LEU A 42 -6.359 6.145 -3.486 1.00 0.00 C ATOM 0 H LEU A 42 -4.596 7.988 -7.228 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.829 8.579 -4.355 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.012 6.124 -5.943 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.896 6.224 -4.197 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.541 6.747 -5.524 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.063 4.344 -5.390 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.742 4.669 -6.537 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.378 4.008 -4.926 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.387 5.791 -3.416 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.715 5.511 -2.876 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.304 7.172 -3.126 1.00 0.00 H new ATOM 674 N ASN A 43 -2.388 8.744 -3.774 1.00 0.00 N ATOM 675 CA ASN A 43 -1.002 9.098 -3.491 1.00 0.00 C ATOM 676 C ASN A 43 -0.604 8.659 -2.085 1.00 0.00 C ATOM 677 O ASN A 43 -1.003 9.274 -1.095 1.00 0.00 O ATOM 678 CB ASN A 43 -0.797 10.606 -3.644 1.00 0.00 C ATOM 679 CG ASN A 43 0.499 11.080 -3.015 1.00 0.00 C ATOM 680 OD1 ASN A 43 1.534 10.425 -3.131 1.00 0.00 O ATOM 681 ND2 ASN A 43 0.446 12.225 -2.344 1.00 0.00 N ATOM 0 H ASN A 43 -2.998 8.742 -2.956 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.367 8.578 -4.208 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -0.800 10.865 -4.703 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.634 11.132 -3.185 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.286 12.595 -1.899 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.435 12.735 -2.274 1.00 0.00 H new ATOM 688 N LEU A 44 0.184 7.593 -2.005 1.00 0.00 N ATOM 689 CA LEU A 44 0.637 7.071 -0.720 1.00 0.00 C ATOM 690 C LEU A 44 2.079 7.483 -0.443 1.00 0.00 C ATOM 691 O LEU A 44 3.019 6.876 -0.957 1.00 0.00 O ATOM 692 CB LEU A 44 0.516 5.547 -0.694 1.00 0.00 C ATOM 693 CG LEU A 44 -0.868 4.989 -0.359 1.00 0.00 C ATOM 694 CD1 LEU A 44 -1.080 4.957 1.146 1.00 0.00 C ATOM 695 CD2 LEU A 44 -1.954 5.813 -1.035 1.00 0.00 C ATOM 0 H LEU A 44 0.523 7.073 -2.814 1.00 0.00 H new ATOM 0 HA LEU A 44 0.002 7.492 0.059 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.815 5.162 -1.669 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.228 5.158 0.034 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.928 3.968 -0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.070 4.557 1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.322 4.323 1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.000 5.968 1.546 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.932 5.401 -0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.896 6.845 -0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.813 5.784 -2.115 1.00 0.00 H new ATOM 707 N VAL A 45 2.247 8.517 0.375 1.00 0.00 N ATOM 708 CA VAL A 45 3.575 9.008 0.724 1.00 0.00 C ATOM 709 C VAL A 45 4.058 8.403 2.036 1.00 0.00 C ATOM 710 O VAL A 45 3.806 8.945 3.113 1.00 0.00 O ATOM 711 CB VAL A 45 3.592 10.544 0.842 1.00 0.00 C ATOM 712 CG1 VAL A 45 4.986 11.036 1.203 1.00 0.00 C ATOM 713 CG2 VAL A 45 3.110 11.183 -0.451 1.00 0.00 C ATOM 0 H VAL A 45 1.480 9.031 0.809 1.00 0.00 H new ATOM 0 HA VAL A 45 4.246 8.705 -0.080 1.00 0.00 H new ATOM 0 HB VAL A 45 2.911 10.838 1.641 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.979 12.123 1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.288 10.605 2.157 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.691 10.733 0.429 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.129 12.268 -0.350 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.764 10.884 -1.270 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.092 10.856 -0.661 1.00 0.00 H new ATOM 723 N VAL A 46 4.755 7.274 1.941 1.00 0.00 N ATOM 724 CA VAL A 46 5.275 6.595 3.121 1.00 0.00 C ATOM 725 C VAL A 46 6.798 6.655 3.163 1.00 0.00 C ATOM 726 O VAL A 46 7.493 5.913 2.469 1.00 0.00 O ATOM 727 CB VAL A 46 4.830 5.121 3.162 1.00 0.00 C ATOM 728 CG1 VAL A 46 5.113 4.515 4.528 1.00 0.00 C ATOM 729 CG2 VAL A 46 3.355 5.000 2.811 1.00 0.00 C ATOM 0 H VAL A 46 4.972 6.811 1.058 1.00 0.00 H new ATOM 0 HA VAL A 46 4.869 7.114 3.989 1.00 0.00 H new ATOM 0 HB VAL A 46 5.403 4.566 2.420 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.792 3.473 4.538 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.182 4.567 4.735 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.568 5.070 5.292 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.058 3.952 2.845 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.763 5.569 3.528 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.186 5.393 1.808 1.00 0.00 H new ATOM 739 N PRO A 47 7.331 7.560 3.997 1.00 0.00 N ATOM 740 CA PRO A 47 8.778 7.740 4.152 1.00 0.00 C ATOM 741 C PRO A 47 9.436 6.558 4.856 1.00 0.00 C ATOM 742 O PRO A 47 8.906 6.031 5.834 1.00 0.00 O ATOM 743 CB PRO A 47 8.889 9.003 5.009 1.00 0.00 C ATOM 744 CG PRO A 47 7.607 9.062 5.765 1.00 0.00 C ATOM 745 CD PRO A 47 6.562 8.478 4.855 1.00 0.00 C ATOM 0 HA PRO A 47 9.285 7.816 3.190 1.00 0.00 H new ATOM 0 HB2 PRO A 47 9.744 8.950 5.683 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.025 9.890 4.391 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.676 8.496 6.694 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.360 10.089 6.035 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.790 7.952 5.416 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.061 9.250 4.270 1.00 0.00 H new ATOM 753 N PHE A 48 10.595 6.146 4.352 1.00 0.00 N ATOM 754 CA PHE A 48 11.326 5.026 4.933 1.00 0.00 C ATOM 755 C PHE A 48 12.792 5.389 5.153 1.00 0.00 C ATOM 756 O PHE A 48 13.348 6.226 4.442 1.00 0.00 O ATOM 757 CB PHE A 48 11.223 3.798 4.027 1.00 0.00 C ATOM 758 CG PHE A 48 11.815 4.008 2.662 1.00 0.00 C ATOM 759 CD1 PHE A 48 13.183 4.159 2.502 1.00 0.00 C ATOM 760 CD2 PHE A 48 11.004 4.054 1.540 1.00 0.00 C ATOM 761 CE1 PHE A 48 13.730 4.354 1.248 1.00 0.00 C ATOM 762 CE2 PHE A 48 11.545 4.247 0.283 1.00 0.00 C ATOM 763 CZ PHE A 48 12.910 4.396 0.137 1.00 0.00 C ATOM 0 H PHE A 48 11.048 6.571 3.543 1.00 0.00 H new ATOM 0 HA PHE A 48 10.879 4.794 5.900 1.00 0.00 H new ATOM 0 HB2 PHE A 48 11.726 2.959 4.507 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.174 3.522 3.921 1.00 0.00 H new ATOM 0 HD1 PHE A 48 13.829 4.124 3.367 1.00 0.00 H new ATOM 0 HD2 PHE A 48 9.936 3.938 1.649 1.00 0.00 H new ATOM 0 HE1 PHE A 48 14.798 4.473 1.137 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.901 4.281 -0.584 1.00 0.00 H new ATOM 0 HZ PHE A 48 13.336 4.545 -0.844 1.00 0.00 H new ATOM 773 N GLN A 49 13.411 4.752 6.142 1.00 0.00 N ATOM 774 CA GLN A 49 14.811 5.009 6.456 1.00 0.00 C ATOM 775 C GLN A 49 15.641 3.736 6.324 1.00 0.00 C ATOM 776 O GLN A 49 15.114 2.627 6.412 1.00 0.00 O ATOM 777 CB GLN A 49 14.943 5.572 7.872 1.00 0.00 C ATOM 778 CG GLN A 49 14.266 6.921 8.055 1.00 0.00 C ATOM 779 CD GLN A 49 14.754 7.959 7.064 1.00 0.00 C ATOM 780 OE1 GLN A 49 13.966 8.544 6.322 1.00 0.00 O ATOM 781 NE2 GLN A 49 16.061 8.193 7.048 1.00 0.00 N ATOM 0 H GLN A 49 12.965 4.055 6.739 1.00 0.00 H new ATOM 0 HA GLN A 49 15.188 5.743 5.744 1.00 0.00 H new ATOM 0 HB2 GLN A 49 14.515 4.861 8.578 1.00 0.00 H new ATOM 0 HB3 GLN A 49 16.000 5.669 8.119 1.00 0.00 H new ATOM 0 HG2 GLN A 49 13.188 6.800 7.947 1.00 0.00 H new ATOM 0 HG3 GLN A 49 14.446 7.279 9.069 1.00 0.00 H new ATOM 0 HE21 GLN A 49 16.678 7.684 7.681 1.00 0.00 H new ATOM 0 HE22 GLN A 49 16.448 8.881 6.402 1.00 0.00 H new ATOM 790 N GLY A 50 16.943 3.903 6.112 1.00 0.00 N ATOM 791 CA GLY A 50 17.824 2.758 5.970 1.00 0.00 C ATOM 792 C GLY A 50 18.994 3.038 5.048 1.00 0.00 C ATOM 793 O GLY A 50 18.891 3.854 4.132 1.00 0.00 O ATOM 0 H GLY A 50 17.403 4.810 6.036 1.00 0.00 H new ATOM 0 HA2 GLY A 50 18.200 2.469 6.951 1.00 0.00 H new ATOM 0 HA3 GLY A 50 17.256 1.912 5.584 1.00 0.00 H new ATOM 797 N LYS A 51 20.112 2.362 5.292 1.00 0.00 N ATOM 798 CA LYS A 51 21.308 2.542 4.478 1.00 0.00 C ATOM 799 C LYS A 51 22.015 1.210 4.249 1.00 0.00 C ATOM 800 O LYS A 51 21.828 0.245 4.989 1.00 0.00 O ATOM 801 CB LYS A 51 22.264 3.530 5.150 1.00 0.00 C ATOM 802 CG LYS A 51 22.006 4.978 4.772 1.00 0.00 C ATOM 803 CD LYS A 51 20.932 5.601 5.648 1.00 0.00 C ATOM 804 CE LYS A 51 21.158 7.094 5.831 1.00 0.00 C ATOM 805 NZ LYS A 51 20.917 7.850 4.571 1.00 0.00 N ATOM 0 H LYS A 51 20.214 1.684 6.047 1.00 0.00 H new ATOM 0 HA LYS A 51 21.002 2.943 3.511 1.00 0.00 H new ATOM 0 HB2 LYS A 51 22.180 3.425 6.232 1.00 0.00 H new ATOM 0 HB3 LYS A 51 23.288 3.270 4.883 1.00 0.00 H new ATOM 0 HG2 LYS A 51 22.930 5.549 4.866 1.00 0.00 H new ATOM 0 HG3 LYS A 51 21.701 5.033 3.727 1.00 0.00 H new ATOM 0 HD2 LYS A 51 19.953 5.433 5.200 1.00 0.00 H new ATOM 0 HD3 LYS A 51 20.926 5.111 6.622 1.00 0.00 H new ATOM 0 HE2 LYS A 51 20.496 7.469 6.612 1.00 0.00 H new ATOM 0 HE3 LYS A 51 22.180 7.268 6.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 21.081 8.863 4.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 21.566 7.510 3.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 19.935 7.705 4.262 1.00 0.00 H new ATOM 819 N PRO A 52 22.849 1.155 3.200 1.00 0.00 N ATOM 820 CA PRO A 52 23.080 2.297 2.311 1.00 0.00 C ATOM 821 C PRO A 52 21.863 2.618 1.450 1.00 0.00 C ATOM 822 O PRO A 52 21.433 3.768 1.370 1.00 0.00 O ATOM 823 CB PRO A 52 24.247 1.835 1.435 1.00 0.00 C ATOM 824 CG PRO A 52 24.163 0.347 1.445 1.00 0.00 C ATOM 825 CD PRO A 52 23.631 -0.028 2.800 1.00 0.00 C ATOM 0 HA PRO A 52 23.283 3.212 2.868 1.00 0.00 H new ATOM 0 HB2 PRO A 52 24.162 2.229 0.422 1.00 0.00 H new ATOM 0 HB3 PRO A 52 25.201 2.180 1.833 1.00 0.00 H new ATOM 0 HG2 PRO A 52 23.505 -0.012 0.654 1.00 0.00 H new ATOM 0 HG3 PRO A 52 25.142 -0.100 1.272 1.00 0.00 H new ATOM 0 HD2 PRO A 52 23.011 -0.923 2.754 1.00 0.00 H new ATOM 0 HD3 PRO A 52 24.436 -0.234 3.505 1.00 0.00 H new ATOM 833 N ARG A 53 21.311 1.593 0.809 1.00 0.00 N ATOM 834 CA ARG A 53 20.143 1.766 -0.046 1.00 0.00 C ATOM 835 C ARG A 53 19.096 0.693 0.239 1.00 0.00 C ATOM 836 O ARG A 53 19.210 -0.452 -0.199 1.00 0.00 O ATOM 837 CB ARG A 53 20.551 1.717 -1.519 1.00 0.00 C ATOM 838 CG ARG A 53 20.907 3.076 -2.098 1.00 0.00 C ATOM 839 CD ARG A 53 21.523 2.948 -3.483 1.00 0.00 C ATOM 840 NE ARG A 53 22.280 4.139 -3.858 1.00 0.00 N ATOM 841 CZ ARG A 53 23.153 4.170 -4.858 1.00 0.00 C ATOM 842 NH1 ARG A 53 23.377 3.082 -5.581 1.00 0.00 N ATOM 843 NH2 ARG A 53 23.803 5.293 -5.138 1.00 0.00 N ATOM 0 H ARG A 53 21.654 0.634 0.866 1.00 0.00 H new ATOM 0 HA ARG A 53 19.707 2.741 0.171 1.00 0.00 H new ATOM 0 HB2 ARG A 53 21.406 1.050 -1.628 1.00 0.00 H new ATOM 0 HB3 ARG A 53 19.735 1.287 -2.099 1.00 0.00 H new ATOM 0 HG2 ARG A 53 20.012 3.695 -2.153 1.00 0.00 H new ATOM 0 HG3 ARG A 53 21.606 3.584 -1.433 1.00 0.00 H new ATOM 0 HD2 ARG A 53 22.180 2.078 -3.509 1.00 0.00 H new ATOM 0 HD3 ARG A 53 20.735 2.774 -4.216 1.00 0.00 H new ATOM 0 HE ARG A 53 22.130 4.994 -3.322 1.00 0.00 H new ATOM 0 HH11 ARG A 53 22.878 2.218 -5.370 1.00 0.00 H new ATOM 0 HH12 ARG A 53 24.048 3.109 -6.349 1.00 0.00 H new ATOM 0 HH21 ARG A 53 23.632 6.133 -4.585 1.00 0.00 H new ATOM 0 HH22 ARG A 53 24.474 5.316 -5.906 1.00 0.00 H new ATOM 857 N PRO A 54 18.052 1.069 0.992 1.00 0.00 N ATOM 858 CA PRO A 54 16.965 0.154 1.352 1.00 0.00 C ATOM 859 C PRO A 54 16.095 -0.213 0.155 1.00 0.00 C ATOM 860 O PRO A 54 15.510 0.658 -0.489 1.00 0.00 O ATOM 861 CB PRO A 54 16.154 0.952 2.377 1.00 0.00 C ATOM 862 CG PRO A 54 16.435 2.379 2.054 1.00 0.00 C ATOM 863 CD PRO A 54 17.851 2.418 1.548 1.00 0.00 C ATOM 0 HA PRO A 54 17.342 -0.796 1.731 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.090 0.731 2.299 1.00 0.00 H new ATOM 0 HB3 PRO A 54 16.456 0.710 3.396 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.741 2.753 1.301 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.318 3.009 2.936 1.00 0.00 H new ATOM 0 HD2 PRO A 54 17.986 3.189 0.790 1.00 0.00 H new ATOM 0 HD3 PRO A 54 18.558 2.632 2.349 1.00 0.00 H new ATOM 871 N GLN A 55 16.015 -1.507 -0.137 1.00 0.00 N ATOM 872 CA GLN A 55 15.216 -1.989 -1.258 1.00 0.00 C ATOM 873 C GLN A 55 13.726 -1.889 -0.948 1.00 0.00 C ATOM 874 O GLN A 55 13.277 -2.292 0.125 1.00 0.00 O ATOM 875 CB GLN A 55 15.584 -3.436 -1.590 1.00 0.00 C ATOM 876 CG GLN A 55 15.401 -3.790 -3.057 1.00 0.00 C ATOM 877 CD GLN A 55 16.435 -3.131 -3.949 1.00 0.00 C ATOM 878 OE1 GLN A 55 16.978 -2.077 -3.617 1.00 0.00 O ATOM 879 NE2 GLN A 55 16.713 -3.751 -5.090 1.00 0.00 N ATOM 0 H GLN A 55 16.493 -2.240 0.387 1.00 0.00 H new ATOM 0 HA GLN A 55 15.432 -1.360 -2.121 1.00 0.00 H new ATOM 0 HB2 GLN A 55 16.623 -3.611 -1.310 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.973 -4.105 -0.985 1.00 0.00 H new ATOM 0 HG2 GLN A 55 15.460 -4.872 -3.176 1.00 0.00 H new ATOM 0 HG3 GLN A 55 14.404 -3.488 -3.378 1.00 0.00 H new ATOM 0 HE21 GLN A 55 16.239 -4.623 -5.325 1.00 0.00 H new ATOM 0 HE22 GLN A 55 17.401 -3.355 -5.731 1.00 0.00 H new ATOM 888 N VAL A 56 12.964 -1.349 -1.894 1.00 0.00 N ATOM 889 CA VAL A 56 11.525 -1.197 -1.722 1.00 0.00 C ATOM 890 C VAL A 56 10.762 -2.258 -2.508 1.00 0.00 C ATOM 891 O VAL A 56 11.083 -2.541 -3.662 1.00 0.00 O ATOM 892 CB VAL A 56 11.050 0.198 -2.170 1.00 0.00 C ATOM 893 CG1 VAL A 56 9.538 0.314 -2.046 1.00 0.00 C ATOM 894 CG2 VAL A 56 11.744 1.282 -1.359 1.00 0.00 C ATOM 0 H VAL A 56 13.320 -1.010 -2.788 1.00 0.00 H new ATOM 0 HA VAL A 56 11.319 -1.319 -0.659 1.00 0.00 H new ATOM 0 HB VAL A 56 11.315 0.333 -3.218 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.222 1.306 -2.367 1.00 0.00 H new ATOM 0 HG12 VAL A 56 9.063 -0.439 -2.674 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.245 0.158 -1.008 1.00 0.00 H new ATOM 0 HG21 VAL A 56 11.397 2.261 -1.688 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.511 1.151 -0.302 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.822 1.211 -1.504 1.00 0.00 H new ATOM 904 N VAL A 57 9.749 -2.841 -1.875 1.00 0.00 N ATOM 905 CA VAL A 57 8.938 -3.870 -2.515 1.00 0.00 C ATOM 906 C VAL A 57 7.450 -3.584 -2.343 1.00 0.00 C ATOM 907 O VAL A 57 6.940 -3.555 -1.223 1.00 0.00 O ATOM 908 CB VAL A 57 9.251 -5.266 -1.945 1.00 0.00 C ATOM 909 CG1 VAL A 57 8.309 -6.306 -2.533 1.00 0.00 C ATOM 910 CG2 VAL A 57 10.702 -5.637 -2.212 1.00 0.00 C ATOM 0 H VAL A 57 9.470 -2.618 -0.919 1.00 0.00 H new ATOM 0 HA VAL A 57 9.187 -3.855 -3.576 1.00 0.00 H new ATOM 0 HB VAL A 57 9.099 -5.242 -0.866 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.545 -7.286 -2.119 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.280 -6.046 -2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.426 -6.332 -3.616 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.906 -6.626 -1.803 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.884 -5.645 -3.287 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.357 -4.906 -1.738 1.00 0.00 H new ATOM 920 N TRP A 58 6.761 -3.374 -3.458 1.00 0.00 N ATOM 921 CA TRP A 58 5.330 -3.091 -3.430 1.00 0.00 C ATOM 922 C TRP A 58 4.523 -4.327 -3.811 1.00 0.00 C ATOM 923 O TRP A 58 4.723 -4.907 -4.879 1.00 0.00 O ATOM 924 CB TRP A 58 4.999 -1.938 -4.379 1.00 0.00 C ATOM 925 CG TRP A 58 5.183 -0.586 -3.759 1.00 0.00 C ATOM 926 CD1 TRP A 58 6.261 0.241 -3.899 1.00 0.00 C ATOM 927 CD2 TRP A 58 4.262 0.095 -2.899 1.00 0.00 C ATOM 928 NE1 TRP A 58 6.066 1.394 -3.178 1.00 0.00 N ATOM 929 CE2 TRP A 58 4.847 1.329 -2.556 1.00 0.00 C ATOM 930 CE3 TRP A 58 3.000 -0.218 -2.387 1.00 0.00 C ATOM 931 CZ2 TRP A 58 4.213 2.248 -1.725 1.00 0.00 C ATOM 932 CZ3 TRP A 58 2.372 0.695 -1.562 1.00 0.00 C ATOM 933 CH2 TRP A 58 2.977 1.916 -1.238 1.00 0.00 C ATOM 0 H TRP A 58 7.169 -3.394 -4.393 1.00 0.00 H new ATOM 0 HA TRP A 58 5.061 -2.804 -2.413 1.00 0.00 H new ATOM 0 HB2 TRP A 58 5.631 -2.013 -5.264 1.00 0.00 H new ATOM 0 HB3 TRP A 58 3.967 -2.038 -4.715 1.00 0.00 H new ATOM 0 HD1 TRP A 58 7.138 0.021 -4.490 1.00 0.00 H new ATOM 0 HE1 TRP A 58 6.722 2.172 -3.116 1.00 0.00 H new ATOM 0 HE3 TRP A 58 2.524 -1.156 -2.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.679 3.189 -1.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.397 0.463 -1.160 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.459 2.609 -0.592 1.00 0.00 H new ATOM 944 N THR A 59 3.610 -4.726 -2.931 1.00 0.00 N ATOM 945 CA THR A 59 2.773 -5.894 -3.176 1.00 0.00 C ATOM 946 C THR A 59 1.381 -5.706 -2.583 1.00 0.00 C ATOM 947 O THR A 59 1.235 -5.314 -1.425 1.00 0.00 O ATOM 948 CB THR A 59 3.402 -7.169 -2.585 1.00 0.00 C ATOM 949 OG1 THR A 59 3.742 -6.957 -1.210 1.00 0.00 O ATOM 950 CG2 THR A 59 4.646 -7.569 -3.364 1.00 0.00 C ATOM 0 H THR A 59 3.431 -4.258 -2.043 1.00 0.00 H new ATOM 0 HA THR A 59 2.693 -6.005 -4.257 1.00 0.00 H new ATOM 0 HB THR A 59 2.672 -7.975 -2.657 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.140 -7.773 -0.842 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.073 -8.472 -2.928 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.379 -7.759 -4.404 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.378 -6.763 -3.319 1.00 0.00 H new ATOM 958 N LYS A 60 0.359 -5.990 -3.383 1.00 0.00 N ATOM 959 CA LYS A 60 -1.023 -5.855 -2.938 1.00 0.00 C ATOM 960 C LYS A 60 -1.500 -7.130 -2.251 1.00 0.00 C ATOM 961 O LYS A 60 -2.124 -7.987 -2.875 1.00 0.00 O ATOM 962 CB LYS A 60 -1.933 -5.531 -4.125 1.00 0.00 C ATOM 963 CG LYS A 60 -3.414 -5.581 -3.787 1.00 0.00 C ATOM 964 CD LYS A 60 -4.253 -4.905 -4.858 1.00 0.00 C ATOM 965 CE LYS A 60 -5.641 -4.558 -4.342 1.00 0.00 C ATOM 966 NZ LYS A 60 -5.678 -3.206 -3.719 1.00 0.00 N ATOM 0 H LYS A 60 0.462 -6.316 -4.344 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.069 -5.037 -2.219 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.688 -4.537 -4.500 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.729 -6.235 -4.932 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.729 -6.619 -3.678 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.586 -5.094 -2.827 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.752 -3.998 -5.196 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.339 -5.562 -5.723 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.355 -4.599 -5.164 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.954 -5.304 -3.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.620 -2.787 -3.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.479 -3.287 -2.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.961 -2.599 -4.165 1.00 0.00 H new ATOM 980 N GLY A 61 -1.203 -7.248 -0.960 1.00 0.00 N ATOM 981 CA GLY A 61 -1.610 -8.422 -0.209 1.00 0.00 C ATOM 982 C GLY A 61 -0.598 -9.547 -0.297 1.00 0.00 C ATOM 983 O GLY A 61 -0.305 -10.207 0.699 1.00 0.00 O ATOM 0 H GLY A 61 -0.688 -6.552 -0.421 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.755 -8.149 0.836 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.572 -8.773 -0.583 1.00 0.00 H new ATOM 987 N GLY A 62 -0.063 -9.768 -1.494 1.00 0.00 N ATOM 988 CA GLY A 62 0.915 -10.823 -1.687 1.00 0.00 C ATOM 989 C GLY A 62 1.153 -11.132 -3.151 1.00 0.00 C ATOM 990 O GLY A 62 1.266 -12.295 -3.537 1.00 0.00 O ATOM 0 H GLY A 62 -0.289 -9.235 -2.334 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.857 -10.530 -1.223 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.576 -11.726 -1.179 1.00 0.00 H new ATOM 994 N ALA A 63 1.229 -10.088 -3.970 1.00 0.00 N ATOM 995 CA ALA A 63 1.456 -10.254 -5.401 1.00 0.00 C ATOM 996 C ALA A 63 1.991 -8.969 -6.024 1.00 0.00 C ATOM 997 O ALA A 63 1.772 -7.868 -5.519 1.00 0.00 O ATOM 998 CB ALA A 63 0.171 -10.684 -6.092 1.00 0.00 C ATOM 0 H ALA A 63 1.137 -9.118 -3.667 1.00 0.00 H new ATOM 0 HA ALA A 63 2.207 -11.032 -5.538 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.355 -10.804 -7.160 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.168 -11.632 -5.673 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.596 -9.925 -5.939 1.00 0.00 H new ATOM 1004 N PRO A 64 2.709 -9.111 -7.148 1.00 0.00 N ATOM 1005 CA PRO A 64 3.291 -7.972 -7.865 1.00 0.00 C ATOM 1006 C PRO A 64 2.230 -7.106 -8.536 1.00 0.00 C ATOM 1007 O PRO A 64 1.067 -7.500 -8.638 1.00 0.00 O ATOM 1008 CB PRO A 64 4.185 -8.633 -8.916 1.00 0.00 C ATOM 1009 CG PRO A 64 3.584 -9.979 -9.132 1.00 0.00 C ATOM 1010 CD PRO A 64 3.009 -10.394 -7.806 1.00 0.00 C ATOM 0 HA PRO A 64 3.825 -7.299 -7.195 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.204 -8.055 -9.840 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.215 -8.711 -8.568 1.00 0.00 H new ATOM 0 HG2 PRO A 64 2.810 -9.942 -9.899 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.335 -10.692 -9.472 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.113 -11.002 -7.929 1.00 0.00 H new ATOM 0 HD3 PRO A 64 3.718 -10.986 -7.228 1.00 0.00 H new ATOM 1018 N LEU A 65 2.636 -5.927 -8.991 1.00 0.00 N ATOM 1019 CA LEU A 65 1.720 -5.005 -9.654 1.00 0.00 C ATOM 1020 C LEU A 65 1.981 -4.964 -11.156 1.00 0.00 C ATOM 1021 O LEU A 65 2.938 -5.563 -11.647 1.00 0.00 O ATOM 1022 CB LEU A 65 1.860 -3.602 -9.062 1.00 0.00 C ATOM 1023 CG LEU A 65 1.891 -3.518 -7.535 1.00 0.00 C ATOM 1024 CD1 LEU A 65 2.560 -2.228 -7.085 1.00 0.00 C ATOM 1025 CD2 LEU A 65 0.483 -3.616 -6.967 1.00 0.00 C ATOM 0 H LEU A 65 3.594 -5.586 -8.913 1.00 0.00 H new ATOM 0 HA LEU A 65 0.703 -5.362 -9.490 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.776 -3.156 -9.449 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.031 -2.993 -9.423 1.00 0.00 H new ATOM 0 HG LEU A 65 2.474 -4.357 -7.156 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.573 -2.186 -5.996 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.582 -2.198 -7.462 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.005 -1.375 -7.475 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.524 -3.554 -5.880 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.123 -2.797 -7.354 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.038 -4.567 -7.260 1.00 0.00 H new ATOM 1037 N ASP A 66 1.125 -4.252 -11.881 1.00 0.00 N ATOM 1038 CA ASP A 66 1.264 -4.129 -13.327 1.00 0.00 C ATOM 1039 C ASP A 66 1.614 -2.697 -13.720 1.00 0.00 C ATOM 1040 O ASP A 66 0.730 -1.872 -13.954 1.00 0.00 O ATOM 1041 CB ASP A 66 -0.027 -4.561 -14.024 1.00 0.00 C ATOM 1042 CG ASP A 66 -0.245 -6.060 -13.962 1.00 0.00 C ATOM 1043 OD1 ASP A 66 0.667 -6.810 -14.370 1.00 0.00 O ATOM 1044 OD2 ASP A 66 -1.327 -6.484 -13.505 1.00 0.00 O ATOM 0 H ASP A 66 0.327 -3.751 -11.490 1.00 0.00 H new ATOM 0 HA ASP A 66 2.076 -4.783 -13.645 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.874 -4.054 -13.561 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.003 -4.244 -15.066 1.00 0.00 H new ATOM 1049 N THR A 67 2.910 -2.408 -13.789 1.00 0.00 N ATOM 1050 CA THR A 67 3.377 -1.075 -14.151 1.00 0.00 C ATOM 1051 C THR A 67 2.724 -0.595 -15.442 1.00 0.00 C ATOM 1052 O THR A 67 2.722 0.599 -15.741 1.00 0.00 O ATOM 1053 CB THR A 67 4.908 -1.044 -14.321 1.00 0.00 C ATOM 1054 OG1 THR A 67 5.298 -1.898 -15.402 1.00 0.00 O ATOM 1055 CG2 THR A 67 5.604 -1.485 -13.043 1.00 0.00 C ATOM 0 H THR A 67 3.655 -3.079 -13.599 1.00 0.00 H new ATOM 0 HA THR A 67 3.095 -0.409 -13.336 1.00 0.00 H new ATOM 0 HB THR A 67 5.206 -0.019 -14.542 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.272 -1.871 -15.505 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.684 -1.455 -13.188 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.328 -0.815 -12.229 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.299 -2.502 -12.795 1.00 0.00 H new ATOM 1063 N SER A 68 2.168 -1.533 -16.203 1.00 0.00 N ATOM 1064 CA SER A 68 1.514 -1.205 -17.464 1.00 0.00 C ATOM 1065 C SER A 68 0.460 -0.120 -17.263 1.00 0.00 C ATOM 1066 O SER A 68 0.246 0.721 -18.136 1.00 0.00 O ATOM 1067 CB SER A 68 0.868 -2.454 -18.067 1.00 0.00 C ATOM 1068 OG SER A 68 -0.234 -2.885 -17.287 1.00 0.00 O ATOM 0 H SER A 68 2.158 -2.526 -15.968 1.00 0.00 H new ATOM 0 HA SER A 68 2.272 -0.828 -18.151 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.537 -2.241 -19.084 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.606 -3.253 -18.133 1.00 0.00 H new ATOM 0 HG SER A 68 -0.631 -3.683 -17.694 1.00 0.00 H new ATOM 1074 N ARG A 69 -0.194 -0.146 -16.107 1.00 0.00 N ATOM 1075 CA ARG A 69 -1.226 0.834 -15.791 1.00 0.00 C ATOM 1076 C ARG A 69 -0.920 1.540 -14.473 1.00 0.00 C ATOM 1077 O ARG A 69 -1.320 2.685 -14.263 1.00 0.00 O ATOM 1078 CB ARG A 69 -2.596 0.156 -15.712 1.00 0.00 C ATOM 1079 CG ARG A 69 -2.810 -0.639 -14.435 1.00 0.00 C ATOM 1080 CD ARG A 69 -2.393 -2.091 -14.605 1.00 0.00 C ATOM 1081 NE ARG A 69 -3.491 -2.922 -15.092 1.00 0.00 N ATOM 1082 CZ ARG A 69 -4.516 -3.301 -14.337 1.00 0.00 C ATOM 1083 NH1 ARG A 69 -4.583 -2.925 -13.067 1.00 0.00 N ATOM 1084 NH2 ARG A 69 -5.477 -4.057 -14.852 1.00 0.00 N ATOM 0 H ARG A 69 -0.028 -0.835 -15.373 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.241 1.578 -16.587 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.373 0.916 -15.791 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.713 -0.509 -16.568 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.238 -0.188 -13.624 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.861 -0.592 -14.148 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.557 -2.149 -15.303 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -2.039 -2.481 -13.651 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.469 -3.228 -16.065 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.846 -2.343 -12.668 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.371 -3.217 -12.489 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -5.429 -4.348 -15.829 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -6.264 -4.348 -14.271 1.00 0.00 H new ATOM 1098 N VAL A 70 -0.209 0.848 -13.588 1.00 0.00 N ATOM 1099 CA VAL A 70 0.151 1.409 -12.291 1.00 0.00 C ATOM 1100 C VAL A 70 1.449 2.204 -12.378 1.00 0.00 C ATOM 1101 O VAL A 70 2.348 1.864 -13.148 1.00 0.00 O ATOM 1102 CB VAL A 70 0.307 0.306 -11.227 1.00 0.00 C ATOM 1103 CG1 VAL A 70 0.840 0.890 -9.927 1.00 0.00 C ATOM 1104 CG2 VAL A 70 -1.018 -0.404 -10.998 1.00 0.00 C ATOM 0 H VAL A 70 0.129 -0.101 -13.746 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.660 2.075 -11.997 1.00 0.00 H new ATOM 0 HB VAL A 70 1.027 -0.427 -11.591 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.944 0.096 -9.187 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.812 1.349 -10.106 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.146 1.644 -9.555 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.889 -1.180 -10.243 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.762 0.315 -10.656 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.354 -0.857 -11.931 1.00 0.00 H new ATOM 1114 N HIS A 71 1.541 3.264 -11.582 1.00 0.00 N ATOM 1115 CA HIS A 71 2.731 4.108 -11.567 1.00 0.00 C ATOM 1116 C HIS A 71 3.320 4.193 -10.162 1.00 0.00 C ATOM 1117 O HIS A 71 2.682 4.704 -9.241 1.00 0.00 O ATOM 1118 CB HIS A 71 2.394 5.510 -12.077 1.00 0.00 C ATOM 1119 CG HIS A 71 3.563 6.224 -12.682 1.00 0.00 C ATOM 1120 ND1 HIS A 71 4.810 6.259 -12.095 1.00 0.00 N ATOM 1121 CD2 HIS A 71 3.670 6.932 -13.831 1.00 0.00 C ATOM 1122 CE1 HIS A 71 5.633 6.959 -12.855 1.00 0.00 C ATOM 1123 NE2 HIS A 71 4.967 7.378 -13.915 1.00 0.00 N ATOM 0 H HIS A 71 0.806 3.559 -10.939 1.00 0.00 H new ATOM 0 HA HIS A 71 3.473 3.658 -12.226 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.600 5.436 -12.820 1.00 0.00 H new ATOM 0 HB3 HIS A 71 2.004 6.104 -11.251 1.00 0.00 H new ATOM 0 HD2 HIS A 71 2.883 7.113 -14.548 1.00 0.00 H new ATOM 0 HE1 HIS A 71 6.674 7.155 -12.645 1.00 0.00 H new ATOM 0 HE2 HIS A 71 5.352 7.941 -14.673 1.00 0.00 H new ATOM 1132 N VAL A 72 4.540 3.689 -10.005 1.00 0.00 N ATOM 1133 CA VAL A 72 5.214 3.708 -8.713 1.00 0.00 C ATOM 1134 C VAL A 72 6.564 4.410 -8.808 1.00 0.00 C ATOM 1135 O VAL A 72 7.489 3.915 -9.453 1.00 0.00 O ATOM 1136 CB VAL A 72 5.426 2.283 -8.169 1.00 0.00 C ATOM 1137 CG1 VAL A 72 6.133 2.324 -6.823 1.00 0.00 C ATOM 1138 CG2 VAL A 72 4.097 1.551 -8.061 1.00 0.00 C ATOM 0 H VAL A 72 5.081 3.263 -10.757 1.00 0.00 H new ATOM 0 HA VAL A 72 4.569 4.258 -8.028 1.00 0.00 H new ATOM 0 HB VAL A 72 6.060 1.737 -8.868 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.274 1.308 -6.455 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.104 2.807 -6.936 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.529 2.887 -6.112 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.266 0.546 -7.675 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.437 2.094 -7.384 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.635 1.489 -9.046 1.00 0.00 H new ATOM 1148 N ARG A 73 6.671 5.566 -8.161 1.00 0.00 N ATOM 1149 CA ARG A 73 7.908 6.337 -8.173 1.00 0.00 C ATOM 1150 C ARG A 73 8.655 6.187 -6.851 1.00 0.00 C ATOM 1151 O ARG A 73 8.348 6.866 -5.871 1.00 0.00 O ATOM 1152 CB ARG A 73 7.611 7.814 -8.439 1.00 0.00 C ATOM 1153 CG ARG A 73 8.859 8.665 -8.612 1.00 0.00 C ATOM 1154 CD ARG A 73 8.530 10.149 -8.582 1.00 0.00 C ATOM 1155 NE ARG A 73 8.396 10.653 -7.218 1.00 0.00 N ATOM 1156 CZ ARG A 73 8.463 11.941 -6.900 1.00 0.00 C ATOM 1157 NH1 ARG A 73 8.661 12.851 -7.844 1.00 0.00 N ATOM 1158 NH2 ARG A 73 8.331 12.321 -5.636 1.00 0.00 N ATOM 0 H ARG A 73 5.916 5.989 -7.622 1.00 0.00 H new ATOM 0 HA ARG A 73 8.540 5.951 -8.973 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.998 7.897 -9.336 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.022 8.212 -7.613 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.571 8.433 -7.820 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.341 8.417 -9.557 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.313 10.704 -9.098 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.602 10.326 -9.126 1.00 0.00 H new ATOM 0 HE ARG A 73 8.242 9.979 -6.468 1.00 0.00 H new ATOM 0 HH11 ARG A 73 8.762 12.563 -8.817 1.00 0.00 H new ATOM 0 HH12 ARG A 73 8.712 13.839 -7.597 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.178 11.624 -4.907 1.00 0.00 H new ATOM 0 HH22 ARG A 73 8.383 13.310 -5.393 1.00 0.00 H new ATOM 1172 N THR A 74 9.639 5.293 -6.832 1.00 0.00 N ATOM 1173 CA THR A 74 10.429 5.052 -5.631 1.00 0.00 C ATOM 1174 C THR A 74 11.674 5.931 -5.606 1.00 0.00 C ATOM 1175 O THR A 74 12.252 6.234 -6.650 1.00 0.00 O ATOM 1176 CB THR A 74 10.855 3.575 -5.525 1.00 0.00 C ATOM 1177 OG1 THR A 74 9.716 2.724 -5.694 1.00 0.00 O ATOM 1178 CG2 THR A 74 11.509 3.296 -4.180 1.00 0.00 C ATOM 0 H THR A 74 9.908 4.724 -7.635 1.00 0.00 H new ATOM 0 HA THR A 74 9.794 5.301 -4.781 1.00 0.00 H new ATOM 0 HB THR A 74 11.580 3.371 -6.313 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.995 1.787 -5.627 1.00 0.00 H new ATOM 0 HG21 THR A 74 11.801 2.247 -4.128 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.392 3.925 -4.067 1.00 0.00 H new ATOM 0 HG23 THR A 74 10.803 3.516 -3.379 1.00 0.00 H new ATOM 1186 N SER A 75 12.082 6.338 -4.408 1.00 0.00 N ATOM 1187 CA SER A 75 13.257 7.186 -4.248 1.00 0.00 C ATOM 1188 C SER A 75 14.055 6.781 -3.012 1.00 0.00 C ATOM 1189 O SER A 75 13.485 6.423 -1.982 1.00 0.00 O ATOM 1190 CB SER A 75 12.843 8.655 -4.143 1.00 0.00 C ATOM 1191 OG SER A 75 13.977 9.502 -4.089 1.00 0.00 O ATOM 0 H SER A 75 11.616 6.094 -3.534 1.00 0.00 H new ATOM 0 HA SER A 75 13.889 7.057 -5.126 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.225 8.924 -5.000 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.233 8.801 -3.251 1.00 0.00 H new ATOM 0 HG SER A 75 13.685 10.435 -4.024 1.00 0.00 H new ATOM 1197 N ASP A 76 15.377 6.840 -3.124 1.00 0.00 N ATOM 1198 CA ASP A 76 16.255 6.480 -2.017 1.00 0.00 C ATOM 1199 C ASP A 76 15.737 7.058 -0.703 1.00 0.00 C ATOM 1200 O ASP A 76 15.857 6.434 0.352 1.00 0.00 O ATOM 1201 CB ASP A 76 17.677 6.979 -2.282 1.00 0.00 C ATOM 1202 CG ASP A 76 18.074 6.848 -3.739 1.00 0.00 C ATOM 1203 OD1 ASP A 76 17.554 5.936 -4.416 1.00 0.00 O ATOM 1204 OD2 ASP A 76 18.905 7.656 -4.202 1.00 0.00 O ATOM 0 H ASP A 76 15.864 7.134 -3.970 1.00 0.00 H new ATOM 0 HA ASP A 76 16.269 5.393 -1.935 1.00 0.00 H new ATOM 0 HB2 ASP A 76 17.755 8.023 -1.980 1.00 0.00 H new ATOM 0 HB3 ASP A 76 18.377 6.416 -1.665 1.00 0.00 H new ATOM 1209 N PHE A 77 15.161 8.253 -0.774 1.00 0.00 N ATOM 1210 CA PHE A 77 14.626 8.916 0.409 1.00 0.00 C ATOM 1211 C PHE A 77 13.337 8.244 0.873 1.00 0.00 C ATOM 1212 O PHE A 77 13.277 7.679 1.965 1.00 0.00 O ATOM 1213 CB PHE A 77 14.366 10.395 0.118 1.00 0.00 C ATOM 1214 CG PHE A 77 15.570 11.268 0.328 1.00 0.00 C ATOM 1215 CD1 PHE A 77 16.650 11.201 -0.537 1.00 0.00 C ATOM 1216 CD2 PHE A 77 15.622 12.155 1.391 1.00 0.00 C ATOM 1217 CE1 PHE A 77 17.760 12.003 -0.345 1.00 0.00 C ATOM 1218 CE2 PHE A 77 16.729 12.960 1.588 1.00 0.00 C ATOM 1219 CZ PHE A 77 17.799 12.884 0.718 1.00 0.00 C ATOM 0 H PHE A 77 15.053 8.782 -1.639 1.00 0.00 H new ATOM 0 HA PHE A 77 15.366 8.834 1.206 1.00 0.00 H new ATOM 0 HB2 PHE A 77 14.026 10.500 -0.912 1.00 0.00 H new ATOM 0 HB3 PHE A 77 13.556 10.746 0.758 1.00 0.00 H new ATOM 0 HD1 PHE A 77 16.625 10.515 -1.371 1.00 0.00 H new ATOM 0 HD2 PHE A 77 14.788 12.219 2.074 1.00 0.00 H new ATOM 0 HE1 PHE A 77 18.596 11.941 -1.026 1.00 0.00 H new ATOM 0 HE2 PHE A 77 16.757 13.647 2.421 1.00 0.00 H new ATOM 0 HZ PHE A 77 18.664 13.512 0.869 1.00 0.00 H new ATOM 1229 N ASP A 78 12.308 8.310 0.036 1.00 0.00 N ATOM 1230 CA ASP A 78 11.020 7.707 0.358 1.00 0.00 C ATOM 1231 C ASP A 78 10.348 7.155 -0.895 1.00 0.00 C ATOM 1232 O ASP A 78 10.754 7.462 -2.017 1.00 0.00 O ATOM 1233 CB ASP A 78 10.107 8.734 1.031 1.00 0.00 C ATOM 1234 CG ASP A 78 9.948 9.996 0.206 1.00 0.00 C ATOM 1235 OD1 ASP A 78 10.937 10.747 0.076 1.00 0.00 O ATOM 1236 OD2 ASP A 78 8.835 10.233 -0.308 1.00 0.00 O ATOM 0 H ASP A 78 12.341 8.775 -0.871 1.00 0.00 H new ATOM 0 HA ASP A 78 11.196 6.881 1.047 1.00 0.00 H new ATOM 0 HB2 ASP A 78 9.127 8.288 1.201 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.514 8.992 2.009 1.00 0.00 H new ATOM 1241 N THR A 79 9.319 6.338 -0.698 1.00 0.00 N ATOM 1242 CA THR A 79 8.593 5.741 -1.812 1.00 0.00 C ATOM 1243 C THR A 79 7.315 6.516 -2.114 1.00 0.00 C ATOM 1244 O THR A 79 6.782 7.214 -1.251 1.00 0.00 O ATOM 1245 CB THR A 79 8.232 4.271 -1.525 1.00 0.00 C ATOM 1246 OG1 THR A 79 7.534 3.710 -2.642 1.00 0.00 O ATOM 1247 CG2 THR A 79 7.371 4.160 -0.275 1.00 0.00 C ATOM 0 H THR A 79 8.969 6.074 0.223 1.00 0.00 H new ATOM 0 HA THR A 79 9.254 5.783 -2.678 1.00 0.00 H new ATOM 0 HB THR A 79 9.157 3.718 -1.361 1.00 0.00 H new ATOM 0 HG1 THR A 79 8.178 3.314 -3.265 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.128 3.113 -0.092 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.917 4.561 0.579 1.00 0.00 H new ATOM 0 HG23 THR A 79 6.450 4.726 -0.416 1.00 0.00 H new ATOM 1255 N VAL A 80 6.828 6.389 -3.344 1.00 0.00 N ATOM 1256 CA VAL A 80 5.612 7.077 -3.760 1.00 0.00 C ATOM 1257 C VAL A 80 4.765 6.195 -4.670 1.00 0.00 C ATOM 1258 O VAL A 80 5.245 5.690 -5.685 1.00 0.00 O ATOM 1259 CB VAL A 80 5.933 8.393 -4.493 1.00 0.00 C ATOM 1260 CG1 VAL A 80 4.652 9.106 -4.898 1.00 0.00 C ATOM 1261 CG2 VAL A 80 6.799 9.290 -3.622 1.00 0.00 C ATOM 0 H VAL A 80 7.257 5.816 -4.070 1.00 0.00 H new ATOM 0 HA VAL A 80 5.051 7.303 -2.853 1.00 0.00 H new ATOM 0 HB VAL A 80 6.491 8.157 -5.399 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.899 10.033 -5.414 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.073 8.464 -5.562 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.064 9.332 -4.008 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.016 10.215 -4.156 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.270 9.520 -2.697 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.733 8.778 -3.388 1.00 0.00 H new ATOM 1271 N PHE A 81 3.502 6.013 -4.300 1.00 0.00 N ATOM 1272 CA PHE A 81 2.587 5.191 -5.084 1.00 0.00 C ATOM 1273 C PHE A 81 1.428 6.026 -5.621 1.00 0.00 C ATOM 1274 O PHE A 81 0.777 6.757 -4.874 1.00 0.00 O ATOM 1275 CB PHE A 81 2.048 4.038 -4.233 1.00 0.00 C ATOM 1276 CG PHE A 81 0.907 3.302 -4.875 1.00 0.00 C ATOM 1277 CD1 PHE A 81 1.146 2.283 -5.782 1.00 0.00 C ATOM 1278 CD2 PHE A 81 -0.405 3.630 -4.571 1.00 0.00 C ATOM 1279 CE1 PHE A 81 0.098 1.603 -6.374 1.00 0.00 C ATOM 1280 CE2 PHE A 81 -1.457 2.954 -5.160 1.00 0.00 C ATOM 1281 CZ PHE A 81 -1.205 1.940 -6.063 1.00 0.00 C ATOM 0 H PHE A 81 3.089 6.423 -3.463 1.00 0.00 H new ATOM 0 HA PHE A 81 3.140 4.783 -5.930 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.857 3.335 -4.033 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.721 4.430 -3.270 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.163 2.017 -6.030 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.608 4.423 -3.866 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.298 0.809 -7.079 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -2.475 3.219 -4.914 1.00 0.00 H new ATOM 0 HZ PHE A 81 -2.025 1.411 -6.525 1.00 0.00 H new ATOM 1291 N PHE A 82 1.178 5.913 -6.921 1.00 0.00 N ATOM 1292 CA PHE A 82 0.100 6.658 -7.560 1.00 0.00 C ATOM 1293 C PHE A 82 -0.767 5.737 -8.413 1.00 0.00 C ATOM 1294 O PHE A 82 -0.319 4.680 -8.857 1.00 0.00 O ATOM 1295 CB PHE A 82 0.672 7.784 -8.424 1.00 0.00 C ATOM 1296 CG PHE A 82 -0.336 8.397 -9.354 1.00 0.00 C ATOM 1297 CD1 PHE A 82 -0.584 7.834 -10.596 1.00 0.00 C ATOM 1298 CD2 PHE A 82 -1.036 9.535 -8.986 1.00 0.00 C ATOM 1299 CE1 PHE A 82 -1.510 8.397 -11.454 1.00 0.00 C ATOM 1300 CE2 PHE A 82 -1.963 10.101 -9.840 1.00 0.00 C ATOM 1301 CZ PHE A 82 -2.201 9.531 -11.075 1.00 0.00 C ATOM 0 H PHE A 82 1.708 5.312 -7.553 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.523 7.091 -6.777 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.075 8.561 -7.774 1.00 0.00 H new ATOM 0 HB3 PHE A 82 1.505 7.395 -9.009 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -0.048 6.946 -10.897 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.855 9.984 -8.021 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.693 7.950 -12.420 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.501 10.989 -9.542 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.926 9.971 -11.743 1.00 0.00 H new ATOM 1311 N VAL A 83 -2.012 6.146 -8.637 1.00 0.00 N ATOM 1312 CA VAL A 83 -2.943 5.359 -9.436 1.00 0.00 C ATOM 1313 C VAL A 83 -3.876 6.259 -10.238 1.00 0.00 C ATOM 1314 O VAL A 83 -4.633 7.047 -9.671 1.00 0.00 O ATOM 1315 CB VAL A 83 -3.787 4.420 -8.554 1.00 0.00 C ATOM 1316 CG1 VAL A 83 -4.808 3.670 -9.395 1.00 0.00 C ATOM 1317 CG2 VAL A 83 -2.890 3.450 -7.799 1.00 0.00 C ATOM 0 H VAL A 83 -2.399 7.018 -8.276 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.343 4.760 -10.121 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.327 5.024 -7.825 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.394 3.012 -8.754 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.470 4.384 -9.885 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.292 3.076 -10.150 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.503 2.794 -7.181 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.321 2.851 -8.511 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.203 4.009 -7.164 1.00 0.00 H new ATOM 1327 N ARG A 84 -3.817 6.136 -11.560 1.00 0.00 N ATOM 1328 CA ARG A 84 -4.656 6.940 -12.441 1.00 0.00 C ATOM 1329 C ARG A 84 -6.030 7.173 -11.818 1.00 0.00 C ATOM 1330 O ARG A 84 -6.368 8.295 -11.442 1.00 0.00 O ATOM 1331 CB ARG A 84 -4.810 6.254 -13.799 1.00 0.00 C ATOM 1332 CG ARG A 84 -5.722 7.001 -14.759 1.00 0.00 C ATOM 1333 CD ARG A 84 -5.583 6.478 -16.180 1.00 0.00 C ATOM 1334 NE ARG A 84 -6.018 7.460 -17.169 1.00 0.00 N ATOM 1335 CZ ARG A 84 -5.809 7.331 -18.475 1.00 0.00 C ATOM 1336 NH1 ARG A 84 -5.174 6.267 -18.945 1.00 0.00 N ATOM 1337 NH2 ARG A 84 -6.235 8.268 -19.312 1.00 0.00 N ATOM 0 H ARG A 84 -3.197 5.487 -12.045 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.171 7.906 -12.583 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.826 6.146 -14.256 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -5.203 5.249 -13.646 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.757 6.900 -14.432 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -5.483 8.064 -14.736 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -4.543 6.210 -16.368 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -6.171 5.567 -16.290 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.509 8.291 -16.839 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.845 5.545 -18.304 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.015 6.170 -19.948 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -6.723 9.088 -18.953 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -6.074 8.168 -20.314 1.00 0.00 H new ATOM 1351 N GLN A 85 -6.816 6.106 -11.715 1.00 0.00 N ATOM 1352 CA GLN A 85 -8.153 6.196 -11.140 1.00 0.00 C ATOM 1353 C GLN A 85 -8.344 5.154 -10.042 1.00 0.00 C ATOM 1354 O GLN A 85 -7.907 4.011 -10.175 1.00 0.00 O ATOM 1355 CB GLN A 85 -9.212 6.009 -12.227 1.00 0.00 C ATOM 1356 CG GLN A 85 -9.184 4.634 -12.874 1.00 0.00 C ATOM 1357 CD GLN A 85 -9.979 4.579 -14.163 1.00 0.00 C ATOM 1358 OE1 GLN A 85 -9.829 5.435 -15.036 1.00 0.00 O ATOM 1359 NE2 GLN A 85 -10.832 3.569 -14.290 1.00 0.00 N ATOM 0 H GLN A 85 -6.550 5.170 -12.022 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.266 7.187 -10.699 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -10.198 6.178 -11.795 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -9.068 6.767 -12.997 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -8.151 4.353 -13.077 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.582 3.899 -12.174 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.924 2.882 -13.542 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.395 3.480 -15.136 1.00 0.00 H new ATOM 1368 N ALA A 86 -8.999 5.557 -8.958 1.00 0.00 N ATOM 1369 CA ALA A 86 -9.249 4.658 -7.839 1.00 0.00 C ATOM 1370 C ALA A 86 -10.665 4.095 -7.893 1.00 0.00 C ATOM 1371 O ALA A 86 -11.605 4.704 -7.383 1.00 0.00 O ATOM 1372 CB ALA A 86 -9.017 5.381 -6.520 1.00 0.00 C ATOM 0 H ALA A 86 -9.366 6.500 -8.831 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.551 3.824 -7.912 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -9.207 4.698 -5.692 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.985 5.730 -6.473 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -9.692 6.234 -6.449 1.00 0.00 H new ATOM 1378 N ALA A 87 -10.810 2.929 -8.514 1.00 0.00 N ATOM 1379 CA ALA A 87 -12.111 2.284 -8.634 1.00 0.00 C ATOM 1380 C ALA A 87 -12.400 1.402 -7.423 1.00 0.00 C ATOM 1381 O ALA A 87 -11.483 0.860 -6.806 1.00 0.00 O ATOM 1382 CB ALA A 87 -12.178 1.464 -9.914 1.00 0.00 C ATOM 0 H ALA A 87 -10.042 2.412 -8.942 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.873 3.063 -8.674 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -13.156 0.988 -9.990 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.024 2.117 -10.773 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.402 0.699 -9.897 1.00 0.00 H new ATOM 1388 N ARG A 88 -13.679 1.265 -7.089 1.00 0.00 N ATOM 1389 CA ARG A 88 -14.088 0.451 -5.951 1.00 0.00 C ATOM 1390 C ARG A 88 -13.200 -0.783 -5.818 1.00 0.00 C ATOM 1391 O ARG A 88 -12.900 -1.228 -4.710 1.00 0.00 O ATOM 1392 CB ARG A 88 -15.550 0.027 -6.099 1.00 0.00 C ATOM 1393 CG ARG A 88 -16.517 1.196 -6.185 1.00 0.00 C ATOM 1394 CD ARG A 88 -16.978 1.641 -4.806 1.00 0.00 C ATOM 1395 NE ARG A 88 -17.928 0.701 -4.216 1.00 0.00 N ATOM 1396 CZ ARG A 88 -18.306 0.740 -2.943 1.00 0.00 C ATOM 1397 NH1 ARG A 88 -17.818 1.667 -2.131 1.00 0.00 N ATOM 1398 NH2 ARG A 88 -19.175 -0.150 -2.481 1.00 0.00 N ATOM 0 H ARG A 88 -14.450 1.707 -7.590 1.00 0.00 H new ATOM 0 HA ARG A 88 -13.981 1.053 -5.049 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -15.653 -0.585 -6.995 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -15.825 -0.600 -5.251 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -16.036 2.030 -6.696 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -17.382 0.911 -6.784 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -16.113 1.742 -4.150 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -17.440 2.626 -4.879 1.00 0.00 H new ATOM 0 HE ARG A 88 -18.323 -0.025 -4.814 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -17.150 2.353 -2.483 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -18.110 1.694 -1.154 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -19.553 -0.864 -3.103 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -19.465 -0.120 -1.504 1.00 0.00 H new ATOM 1412 N SER A 89 -12.784 -1.332 -6.955 1.00 0.00 N ATOM 1413 CA SER A 89 -11.935 -2.517 -6.966 1.00 0.00 C ATOM 1414 C SER A 89 -10.614 -2.245 -6.253 1.00 0.00 C ATOM 1415 O SER A 89 -10.191 -3.015 -5.390 1.00 0.00 O ATOM 1416 CB SER A 89 -11.668 -2.966 -8.404 1.00 0.00 C ATOM 1417 OG SER A 89 -12.662 -3.874 -8.847 1.00 0.00 O ATOM 0 H SER A 89 -13.021 -0.975 -7.880 1.00 0.00 H new ATOM 0 HA SER A 89 -12.458 -3.313 -6.435 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.646 -2.097 -9.062 1.00 0.00 H new ATOM 0 HB3 SER A 89 -10.687 -3.437 -8.465 1.00 0.00 H new ATOM 0 HG SER A 89 -12.470 -4.145 -9.769 1.00 0.00 H new ATOM 1423 N ASP A 90 -9.966 -1.145 -6.621 1.00 0.00 N ATOM 1424 CA ASP A 90 -8.693 -0.769 -6.016 1.00 0.00 C ATOM 1425 C ASP A 90 -8.699 -1.052 -4.517 1.00 0.00 C ATOM 1426 O ASP A 90 -7.724 -1.564 -3.968 1.00 0.00 O ATOM 1427 CB ASP A 90 -8.402 0.711 -6.268 1.00 0.00 C ATOM 1428 CG ASP A 90 -7.864 0.966 -7.662 1.00 0.00 C ATOM 1429 OD1 ASP A 90 -8.344 0.313 -8.613 1.00 0.00 O ATOM 1430 OD2 ASP A 90 -6.964 1.820 -7.803 1.00 0.00 O ATOM 0 H ASP A 90 -10.301 -0.498 -7.335 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.908 -1.369 -6.477 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -9.316 1.288 -6.123 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -7.680 1.067 -5.533 1.00 0.00 H new ATOM 1435 N SER A 91 -9.804 -0.712 -3.860 1.00 0.00 N ATOM 1436 CA SER A 91 -9.934 -0.925 -2.424 1.00 0.00 C ATOM 1437 C SER A 91 -9.324 -2.262 -2.014 1.00 0.00 C ATOM 1438 O SER A 91 -9.867 -3.324 -2.317 1.00 0.00 O ATOM 1439 CB SER A 91 -11.407 -0.876 -2.012 1.00 0.00 C ATOM 1440 OG SER A 91 -11.903 0.451 -2.046 1.00 0.00 O ATOM 0 H SER A 91 -10.621 -0.288 -4.300 1.00 0.00 H new ATOM 0 HA SER A 91 -9.393 -0.128 -1.913 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.996 -1.505 -2.680 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.521 -1.284 -1.008 1.00 0.00 H new ATOM 0 HG SER A 91 -12.881 0.433 -2.099 1.00 0.00 H new ATOM 1446 N GLY A 92 -8.189 -2.201 -1.324 1.00 0.00 N ATOM 1447 CA GLY A 92 -7.523 -3.412 -0.884 1.00 0.00 C ATOM 1448 C GLY A 92 -6.523 -3.154 0.226 1.00 0.00 C ATOM 1449 O GLY A 92 -6.709 -2.247 1.037 1.00 0.00 O ATOM 0 H GLY A 92 -7.719 -1.334 -1.062 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -8.269 -4.128 -0.538 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.011 -3.869 -1.731 1.00 0.00 H new ATOM 1453 N GLU A 93 -5.462 -3.954 0.264 1.00 0.00 N ATOM 1454 CA GLU A 93 -4.432 -3.808 1.285 1.00 0.00 C ATOM 1455 C GLU A 93 -3.039 -3.845 0.662 1.00 0.00 C ATOM 1456 O GLU A 93 -2.618 -4.867 0.119 1.00 0.00 O ATOM 1457 CB GLU A 93 -4.563 -4.913 2.335 1.00 0.00 C ATOM 1458 CG GLU A 93 -3.495 -4.857 3.414 1.00 0.00 C ATOM 1459 CD GLU A 93 -2.238 -5.614 3.031 1.00 0.00 C ATOM 1460 OE1 GLU A 93 -2.346 -6.815 2.705 1.00 0.00 O ATOM 1461 OE2 GLU A 93 -1.148 -5.006 3.056 1.00 0.00 O ATOM 0 H GLU A 93 -5.294 -4.709 -0.400 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.570 -2.840 1.768 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.545 -4.843 2.803 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.515 -5.882 1.838 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.241 -3.816 3.615 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.896 -5.271 4.339 1.00 0.00 H new ATOM 1468 N TYR A 94 -2.331 -2.725 0.745 1.00 0.00 N ATOM 1469 CA TYR A 94 -0.987 -2.627 0.187 1.00 0.00 C ATOM 1470 C TYR A 94 0.068 -2.844 1.267 1.00 0.00 C ATOM 1471 O TYR A 94 0.146 -2.086 2.234 1.00 0.00 O ATOM 1472 CB TYR A 94 -0.784 -1.263 -0.474 1.00 0.00 C ATOM 1473 CG TYR A 94 -1.479 -1.128 -1.810 1.00 0.00 C ATOM 1474 CD1 TYR A 94 -2.858 -1.255 -1.915 1.00 0.00 C ATOM 1475 CD2 TYR A 94 -0.755 -0.872 -2.968 1.00 0.00 C ATOM 1476 CE1 TYR A 94 -3.497 -1.134 -3.133 1.00 0.00 C ATOM 1477 CE2 TYR A 94 -1.385 -0.747 -4.192 1.00 0.00 C ATOM 1478 CZ TYR A 94 -2.756 -0.879 -4.269 1.00 0.00 C ATOM 1479 OH TYR A 94 -3.388 -0.756 -5.485 1.00 0.00 O ATOM 0 H TYR A 94 -2.665 -1.872 1.193 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.876 -3.407 -0.566 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.150 -0.486 0.197 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.284 -1.090 -0.610 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.441 -1.452 -1.028 1.00 0.00 H new ATOM 0 HD2 TYR A 94 0.319 -0.769 -2.911 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.570 -1.238 -3.196 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -0.807 -0.547 -5.082 1.00 0.00 H new ATOM 0 HH TYR A 94 -2.723 -0.576 -6.182 1.00 0.00 H new ATOM 1489 N GLU A 95 0.879 -3.883 1.094 1.00 0.00 N ATOM 1490 CA GLU A 95 1.929 -4.200 2.054 1.00 0.00 C ATOM 1491 C GLU A 95 3.252 -3.557 1.645 1.00 0.00 C ATOM 1492 O GLU A 95 3.784 -3.836 0.569 1.00 0.00 O ATOM 1493 CB GLU A 95 2.101 -5.715 2.174 1.00 0.00 C ATOM 1494 CG GLU A 95 2.904 -6.142 3.392 1.00 0.00 C ATOM 1495 CD GLU A 95 3.638 -7.451 3.177 1.00 0.00 C ATOM 1496 OE1 GLU A 95 3.027 -8.390 2.624 1.00 0.00 O ATOM 1497 OE2 GLU A 95 4.823 -7.537 3.561 1.00 0.00 O ATOM 0 H GLU A 95 0.829 -4.519 0.298 1.00 0.00 H new ATOM 0 HA GLU A 95 1.633 -3.798 3.023 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.117 -6.182 2.216 1.00 0.00 H new ATOM 0 HB3 GLU A 95 2.593 -6.089 1.276 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.624 -5.362 3.639 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.235 -6.241 4.247 1.00 0.00 H new ATOM 1504 N LEU A 96 3.777 -2.697 2.509 1.00 0.00 N ATOM 1505 CA LEU A 96 5.037 -2.013 2.239 1.00 0.00 C ATOM 1506 C LEU A 96 6.186 -2.669 2.999 1.00 0.00 C ATOM 1507 O LEU A 96 6.253 -2.596 4.226 1.00 0.00 O ATOM 1508 CB LEU A 96 4.933 -0.537 2.624 1.00 0.00 C ATOM 1509 CG LEU A 96 6.196 0.301 2.421 1.00 0.00 C ATOM 1510 CD1 LEU A 96 6.594 0.320 0.953 1.00 0.00 C ATOM 1511 CD2 LEU A 96 5.985 1.717 2.936 1.00 0.00 C ATOM 0 H LEU A 96 3.350 -2.456 3.403 1.00 0.00 H new ATOM 0 HA LEU A 96 5.241 -2.089 1.171 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.126 -0.087 2.045 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.645 -0.475 3.674 1.00 0.00 H new ATOM 0 HG LEU A 96 7.006 -0.155 2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.495 0.921 0.828 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.787 -0.698 0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.785 0.751 0.362 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.894 2.299 2.783 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.161 2.182 2.395 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.748 1.686 4.000 1.00 0.00 H new ATOM 1523 N SER A 97 7.089 -3.307 2.261 1.00 0.00 N ATOM 1524 CA SER A 97 8.235 -3.976 2.866 1.00 0.00 C ATOM 1525 C SER A 97 9.543 -3.351 2.390 1.00 0.00 C ATOM 1526 O SER A 97 9.601 -2.745 1.320 1.00 0.00 O ATOM 1527 CB SER A 97 8.217 -5.468 2.529 1.00 0.00 C ATOM 1528 OG SER A 97 7.541 -5.707 1.306 1.00 0.00 O ATOM 0 H SER A 97 7.049 -3.375 1.244 1.00 0.00 H new ATOM 0 HA SER A 97 8.167 -3.854 3.947 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.239 -5.841 2.462 1.00 0.00 H new ATOM 0 HB3 SER A 97 7.728 -6.019 3.332 1.00 0.00 H new ATOM 0 HG SER A 97 7.545 -6.668 1.112 1.00 0.00 H new ATOM 1534 N VAL A 98 10.591 -3.504 3.193 1.00 0.00 N ATOM 1535 CA VAL A 98 11.899 -2.956 2.855 1.00 0.00 C ATOM 1536 C VAL A 98 13.003 -3.978 3.102 1.00 0.00 C ATOM 1537 O VAL A 98 13.159 -4.481 4.214 1.00 0.00 O ATOM 1538 CB VAL A 98 12.202 -1.683 3.668 1.00 0.00 C ATOM 1539 CG1 VAL A 98 13.568 -1.126 3.298 1.00 0.00 C ATOM 1540 CG2 VAL A 98 11.115 -0.641 3.450 1.00 0.00 C ATOM 0 H VAL A 98 10.560 -4.003 4.082 1.00 0.00 H new ATOM 0 HA VAL A 98 11.872 -2.703 1.795 1.00 0.00 H new ATOM 0 HB VAL A 98 12.217 -1.943 4.726 1.00 0.00 H new ATOM 0 HG11 VAL A 98 13.765 -0.227 3.882 1.00 0.00 H new ATOM 0 HG12 VAL A 98 14.334 -1.871 3.510 1.00 0.00 H new ATOM 0 HG13 VAL A 98 13.585 -0.880 2.236 1.00 0.00 H new ATOM 0 HG21 VAL A 98 11.345 0.252 4.032 1.00 0.00 H new ATOM 0 HG22 VAL A 98 11.066 -0.382 2.392 1.00 0.00 H new ATOM 0 HG23 VAL A 98 10.154 -1.045 3.770 1.00 0.00 H new ATOM 1550 N GLN A 99 13.767 -4.280 2.057 1.00 0.00 N ATOM 1551 CA GLN A 99 14.857 -5.242 2.161 1.00 0.00 C ATOM 1552 C GLN A 99 16.180 -4.539 2.448 1.00 0.00 C ATOM 1553 O GLN A 99 16.421 -3.430 1.969 1.00 0.00 O ATOM 1554 CB GLN A 99 14.970 -6.059 0.872 1.00 0.00 C ATOM 1555 CG GLN A 99 15.495 -7.469 1.089 1.00 0.00 C ATOM 1556 CD GLN A 99 15.117 -8.411 -0.036 1.00 0.00 C ATOM 1557 OE1 GLN A 99 13.940 -8.709 -0.244 1.00 0.00 O ATOM 1558 NE2 GLN A 99 16.116 -8.888 -0.771 1.00 0.00 N ATOM 0 H GLN A 99 13.651 -3.872 1.129 1.00 0.00 H new ATOM 0 HA GLN A 99 14.636 -5.913 2.991 1.00 0.00 H new ATOM 0 HB2 GLN A 99 13.989 -6.114 0.400 1.00 0.00 H new ATOM 0 HB3 GLN A 99 15.629 -5.538 0.178 1.00 0.00 H new ATOM 0 HG2 GLN A 99 16.581 -7.438 1.183 1.00 0.00 H new ATOM 0 HG3 GLN A 99 15.105 -7.857 2.030 1.00 0.00 H new ATOM 0 HE21 GLN A 99 17.077 -8.615 -0.564 1.00 0.00 H new ATOM 0 HE22 GLN A 99 15.922 -9.527 -1.542 1.00 0.00 H new ATOM 1567 N ILE A 100 17.032 -5.189 3.233 1.00 0.00 N ATOM 1568 CA ILE A 100 18.330 -4.625 3.583 1.00 0.00 C ATOM 1569 C ILE A 100 19.393 -5.713 3.684 1.00 0.00 C ATOM 1570 O ILE A 100 19.075 -6.891 3.844 1.00 0.00 O ATOM 1571 CB ILE A 100 18.269 -3.857 4.917 1.00 0.00 C ATOM 1572 CG1 ILE A 100 17.117 -2.851 4.900 1.00 0.00 C ATOM 1573 CG2 ILE A 100 19.591 -3.153 5.184 1.00 0.00 C ATOM 1574 CD1 ILE A 100 17.396 -1.628 4.055 1.00 0.00 C ATOM 0 H ILE A 100 16.847 -6.106 3.639 1.00 0.00 H new ATOM 0 HA ILE A 100 18.598 -3.932 2.786 1.00 0.00 H new ATOM 0 HB ILE A 100 18.091 -4.570 5.722 1.00 0.00 H new ATOM 0 HG12 ILE A 100 16.220 -3.344 4.526 1.00 0.00 H new ATOM 0 HG13 ILE A 100 16.905 -2.536 5.922 1.00 0.00 H new ATOM 0 HG21 ILE A 100 19.532 -2.615 6.130 1.00 0.00 H new ATOM 0 HG22 ILE A 100 20.392 -3.890 5.235 1.00 0.00 H new ATOM 0 HG23 ILE A 100 19.797 -2.449 4.378 1.00 0.00 H new ATOM 0 HD11 ILE A 100 16.537 -0.958 4.089 1.00 0.00 H new ATOM 0 HD12 ILE A 100 18.274 -1.111 4.442 1.00 0.00 H new ATOM 0 HD13 ILE A 100 17.578 -1.932 3.024 1.00 0.00 H new ATOM 1586 N GLU A 101 20.656 -5.310 3.591 1.00 0.00 N ATOM 1587 CA GLU A 101 21.766 -6.252 3.673 1.00 0.00 C ATOM 1588 C GLU A 101 21.431 -7.408 4.611 1.00 0.00 C ATOM 1589 O GLU A 101 21.196 -8.531 4.169 1.00 0.00 O ATOM 1590 CB GLU A 101 23.033 -5.541 4.154 1.00 0.00 C ATOM 1591 CG GLU A 101 23.764 -4.789 3.055 1.00 0.00 C ATOM 1592 CD GLU A 101 24.120 -5.677 1.878 1.00 0.00 C ATOM 1593 OE1 GLU A 101 23.234 -5.927 1.033 1.00 0.00 O ATOM 1594 OE2 GLU A 101 25.284 -6.122 1.802 1.00 0.00 O ATOM 0 H GLU A 101 20.936 -4.338 3.459 1.00 0.00 H new ATOM 0 HA GLU A 101 21.941 -6.655 2.676 1.00 0.00 H new ATOM 0 HB2 GLU A 101 22.768 -4.841 4.947 1.00 0.00 H new ATOM 0 HB3 GLU A 101 23.709 -6.277 4.591 1.00 0.00 H new ATOM 0 HG2 GLU A 101 23.141 -3.964 2.708 1.00 0.00 H new ATOM 0 HG3 GLU A 101 24.675 -4.351 3.463 1.00 0.00 H new ATOM 1601 N ASN A 102 21.412 -7.122 5.909 1.00 0.00 N ATOM 1602 CA ASN A 102 21.107 -8.138 6.910 1.00 0.00 C ATOM 1603 C ASN A 102 19.903 -7.727 7.752 1.00 0.00 C ATOM 1604 O ASN A 102 19.776 -8.127 8.909 1.00 0.00 O ATOM 1605 CB ASN A 102 22.319 -8.373 7.814 1.00 0.00 C ATOM 1606 CG ASN A 102 22.352 -9.778 8.383 1.00 0.00 C ATOM 1607 OD1 ASN A 102 22.202 -9.975 9.589 1.00 0.00 O ATOM 1608 ND2 ASN A 102 22.550 -10.763 7.515 1.00 0.00 N ATOM 0 H ASN A 102 21.604 -6.196 6.292 1.00 0.00 H new ATOM 0 HA ASN A 102 20.865 -9.065 6.389 1.00 0.00 H new ATOM 0 HB2 ASN A 102 23.232 -8.192 7.247 1.00 0.00 H new ATOM 0 HB3 ASN A 102 22.304 -7.653 8.632 1.00 0.00 H new ATOM 0 HD21 ASN A 102 22.583 -11.730 7.839 1.00 0.00 H new ATOM 0 HD22 ASN A 102 22.669 -10.553 6.524 1.00 0.00 H new ATOM 1615 N MET A 103 19.020 -6.928 7.162 1.00 0.00 N ATOM 1616 CA MET A 103 17.825 -6.465 7.857 1.00 0.00 C ATOM 1617 C MET A 103 16.642 -6.368 6.898 1.00 0.00 C ATOM 1618 O MET A 103 16.816 -6.355 5.680 1.00 0.00 O ATOM 1619 CB MET A 103 18.082 -5.104 8.507 1.00 0.00 C ATOM 1620 CG MET A 103 19.102 -5.152 9.633 1.00 0.00 C ATOM 1621 SD MET A 103 18.958 -3.752 10.761 1.00 0.00 S ATOM 1622 CE MET A 103 17.428 -4.151 11.602 1.00 0.00 C ATOM 0 H MET A 103 19.110 -6.588 6.205 1.00 0.00 H new ATOM 0 HA MET A 103 17.583 -7.190 8.634 1.00 0.00 H new ATOM 0 HB2 MET A 103 18.427 -4.406 7.745 1.00 0.00 H new ATOM 0 HB3 MET A 103 17.142 -4.713 8.896 1.00 0.00 H new ATOM 0 HG2 MET A 103 18.976 -6.079 10.193 1.00 0.00 H new ATOM 0 HG3 MET A 103 20.106 -5.170 9.208 1.00 0.00 H new ATOM 0 HE1 MET A 103 16.741 -3.308 11.526 1.00 0.00 H new ATOM 0 HE2 MET A 103 16.977 -5.029 11.140 1.00 0.00 H new ATOM 0 HE3 MET A 103 17.633 -4.359 12.652 1.00 0.00 H new ATOM 1632 N LYS A 104 15.438 -6.300 7.456 1.00 0.00 N ATOM 1633 CA LYS A 104 14.226 -6.203 6.652 1.00 0.00 C ATOM 1634 C LYS A 104 13.084 -5.593 7.459 1.00 0.00 C ATOM 1635 O LYS A 104 13.047 -5.710 8.684 1.00 0.00 O ATOM 1636 CB LYS A 104 13.819 -7.586 6.137 1.00 0.00 C ATOM 1637 CG LYS A 104 12.795 -7.540 5.016 1.00 0.00 C ATOM 1638 CD LYS A 104 11.914 -8.778 5.014 1.00 0.00 C ATOM 1639 CE LYS A 104 11.442 -9.125 3.610 1.00 0.00 C ATOM 1640 NZ LYS A 104 11.068 -10.561 3.489 1.00 0.00 N ATOM 0 H LYS A 104 15.276 -6.310 8.463 1.00 0.00 H new ATOM 0 HA LYS A 104 14.435 -5.552 5.803 1.00 0.00 H new ATOM 0 HB2 LYS A 104 14.708 -8.109 5.785 1.00 0.00 H new ATOM 0 HB3 LYS A 104 13.413 -8.168 6.965 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.174 -6.651 5.125 1.00 0.00 H new ATOM 0 HG3 LYS A 104 13.307 -7.455 4.058 1.00 0.00 H new ATOM 0 HD2 LYS A 104 12.467 -9.620 5.431 1.00 0.00 H new ATOM 0 HD3 LYS A 104 11.051 -8.612 5.659 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.585 -8.504 3.351 1.00 0.00 H new ATOM 0 HE3 LYS A 104 12.231 -8.894 2.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.752 -10.757 2.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 11.893 -11.154 3.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 10.298 -10.776 4.154 1.00 0.00 H new ATOM 1654 N ASP A 105 12.155 -4.945 6.766 1.00 0.00 N ATOM 1655 CA ASP A 105 11.011 -4.319 7.418 1.00 0.00 C ATOM 1656 C ASP A 105 9.726 -4.595 6.644 1.00 0.00 C ATOM 1657 O ASP A 105 9.760 -4.893 5.449 1.00 0.00 O ATOM 1658 CB ASP A 105 11.231 -2.811 7.545 1.00 0.00 C ATOM 1659 CG ASP A 105 11.954 -2.437 8.824 1.00 0.00 C ATOM 1660 OD1 ASP A 105 12.722 -3.277 9.340 1.00 0.00 O ATOM 1661 OD2 ASP A 105 11.752 -1.304 9.310 1.00 0.00 O ATOM 0 H ASP A 105 12.172 -4.839 5.752 1.00 0.00 H new ATOM 0 HA ASP A 105 10.913 -4.749 8.415 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.806 -2.457 6.689 1.00 0.00 H new ATOM 0 HB3 ASP A 105 10.267 -2.302 7.514 1.00 0.00 H new ATOM 1666 N THR A 106 8.593 -4.494 7.332 1.00 0.00 N ATOM 1667 CA THR A 106 7.297 -4.734 6.710 1.00 0.00 C ATOM 1668 C THR A 106 6.245 -3.766 7.239 1.00 0.00 C ATOM 1669 O THR A 106 6.380 -3.229 8.338 1.00 0.00 O ATOM 1670 CB THR A 106 6.817 -6.178 6.952 1.00 0.00 C ATOM 1671 OG1 THR A 106 6.855 -6.479 8.351 1.00 0.00 O ATOM 1672 CG2 THR A 106 7.683 -7.170 6.191 1.00 0.00 C ATOM 0 H THR A 106 8.547 -4.247 8.321 1.00 0.00 H new ATOM 0 HA THR A 106 7.426 -4.576 5.639 1.00 0.00 H new ATOM 0 HB THR A 106 5.792 -6.262 6.591 1.00 0.00 H new ATOM 0 HG1 THR A 106 6.547 -7.398 8.496 1.00 0.00 H new ATOM 0 HG21 THR A 106 7.325 -8.183 6.377 1.00 0.00 H new ATOM 0 HG22 THR A 106 7.629 -6.956 5.124 1.00 0.00 H new ATOM 0 HG23 THR A 106 8.716 -7.083 6.526 1.00 0.00 H new ATOM 1680 N ALA A 107 5.198 -3.548 6.450 1.00 0.00 N ATOM 1681 CA ALA A 107 4.122 -2.646 6.841 1.00 0.00 C ATOM 1682 C ALA A 107 2.847 -2.941 6.058 1.00 0.00 C ATOM 1683 O ALA A 107 2.867 -3.683 5.075 1.00 0.00 O ATOM 1684 CB ALA A 107 4.546 -1.199 6.637 1.00 0.00 C ATOM 0 H ALA A 107 5.072 -3.984 5.536 1.00 0.00 H new ATOM 0 HA ALA A 107 3.913 -2.806 7.899 1.00 0.00 H new ATOM 0 HB1 ALA A 107 3.733 -0.536 6.933 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.425 -0.988 7.245 1.00 0.00 H new ATOM 0 HB3 ALA A 107 4.784 -1.034 5.586 1.00 0.00 H new ATOM 1690 N THR A 108 1.738 -2.357 6.500 1.00 0.00 N ATOM 1691 CA THR A 108 0.453 -2.559 5.843 1.00 0.00 C ATOM 1692 C THR A 108 -0.235 -1.229 5.560 1.00 0.00 C ATOM 1693 O THR A 108 -0.135 -0.288 6.348 1.00 0.00 O ATOM 1694 CB THR A 108 -0.483 -3.438 6.695 1.00 0.00 C ATOM 1695 OG1 THR A 108 0.101 -4.731 6.887 1.00 0.00 O ATOM 1696 CG2 THR A 108 -1.843 -3.583 6.029 1.00 0.00 C ATOM 0 H THR A 108 1.704 -1.740 7.311 1.00 0.00 H new ATOM 0 HA THR A 108 0.657 -3.067 4.900 1.00 0.00 H new ATOM 0 HB THR A 108 -0.620 -2.955 7.662 1.00 0.00 H new ATOM 0 HG1 THR A 108 -0.499 -5.283 7.431 1.00 0.00 H new ATOM 0 HG21 THR A 108 -2.487 -4.207 6.648 1.00 0.00 H new ATOM 0 HG22 THR A 108 -2.297 -2.599 5.911 1.00 0.00 H new ATOM 0 HG23 THR A 108 -1.721 -4.046 5.050 1.00 0.00 H new ATOM 1704 N ILE A 109 -0.935 -1.157 4.433 1.00 0.00 N ATOM 1705 CA ILE A 109 -1.641 0.058 4.048 1.00 0.00 C ATOM 1706 C ILE A 109 -3.069 -0.251 3.611 1.00 0.00 C ATOM 1707 O ILE A 109 -3.291 -0.863 2.567 1.00 0.00 O ATOM 1708 CB ILE A 109 -0.915 0.794 2.907 1.00 0.00 C ATOM 1709 CG1 ILE A 109 0.508 1.162 3.332 1.00 0.00 C ATOM 1710 CG2 ILE A 109 -1.691 2.038 2.501 1.00 0.00 C ATOM 1711 CD1 ILE A 109 1.404 1.547 2.175 1.00 0.00 C ATOM 0 H ILE A 109 -1.028 -1.927 3.770 1.00 0.00 H new ATOM 0 HA ILE A 109 -1.664 0.701 4.928 1.00 0.00 H new ATOM 0 HB ILE A 109 -0.856 0.129 2.045 1.00 0.00 H new ATOM 0 HG12 ILE A 109 0.465 1.991 4.039 1.00 0.00 H new ATOM 0 HG13 ILE A 109 0.951 0.317 3.859 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -1.165 2.547 1.694 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -2.686 1.751 2.162 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -1.778 2.708 3.357 1.00 0.00 H new ATOM 0 HD11 ILE A 109 2.397 1.795 2.551 1.00 0.00 H new ATOM 0 HD12 ILE A 109 1.478 0.712 1.478 1.00 0.00 H new ATOM 0 HD13 ILE A 109 0.984 2.412 1.661 1.00 0.00 H new ATOM 1723 N ARG A 110 -4.035 0.179 4.417 1.00 0.00 N ATOM 1724 CA ARG A 110 -5.442 -0.051 4.114 1.00 0.00 C ATOM 1725 C ARG A 110 -6.009 1.087 3.270 1.00 0.00 C ATOM 1726 O ARG A 110 -5.984 2.248 3.679 1.00 0.00 O ATOM 1727 CB ARG A 110 -6.248 -0.192 5.406 1.00 0.00 C ATOM 1728 CG ARG A 110 -5.830 -1.380 6.258 1.00 0.00 C ATOM 1729 CD ARG A 110 -6.293 -1.223 7.698 1.00 0.00 C ATOM 1730 NE ARG A 110 -6.194 -2.475 8.444 1.00 0.00 N ATOM 1731 CZ ARG A 110 -6.739 -2.662 9.641 1.00 0.00 C ATOM 1732 NH1 ARG A 110 -7.418 -1.685 10.224 1.00 0.00 N ATOM 1733 NH2 ARG A 110 -6.605 -3.830 10.257 1.00 0.00 N ATOM 0 H ARG A 110 -3.868 0.689 5.285 1.00 0.00 H new ATOM 0 HA ARG A 110 -5.518 -0.977 3.544 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -6.141 0.721 5.992 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -7.305 -0.288 5.156 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -6.248 -2.295 5.838 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.745 -1.484 6.233 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -5.692 -0.459 8.191 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -7.326 -0.874 7.711 1.00 0.00 H new ATOM 0 HE ARG A 110 -5.678 -3.248 8.023 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -7.524 -0.786 9.754 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -7.835 -1.832 11.143 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -6.083 -4.585 9.811 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -7.024 -3.973 11.176 1.00 0.00 H new ATOM 1747 N ILE A 111 -6.519 0.745 2.091 1.00 0.00 N ATOM 1748 CA ILE A 111 -7.092 1.738 1.191 1.00 0.00 C ATOM 1749 C ILE A 111 -8.584 1.496 0.985 1.00 0.00 C ATOM 1750 O ILE A 111 -9.015 0.364 0.766 1.00 0.00 O ATOM 1751 CB ILE A 111 -6.388 1.729 -0.179 1.00 0.00 C ATOM 1752 CG1 ILE A 111 -4.923 2.144 -0.026 1.00 0.00 C ATOM 1753 CG2 ILE A 111 -7.107 2.652 -1.150 1.00 0.00 C ATOM 1754 CD1 ILE A 111 -4.114 1.983 -1.294 1.00 0.00 C ATOM 0 H ILE A 111 -6.547 -0.211 1.737 1.00 0.00 H new ATOM 0 HA ILE A 111 -6.945 2.711 1.659 1.00 0.00 H new ATOM 0 HB ILE A 111 -6.419 0.716 -0.581 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -4.880 3.185 0.293 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -4.466 1.549 0.765 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -6.597 2.635 -2.113 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -8.136 2.316 -1.278 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -7.104 3.668 -0.756 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -3.086 2.296 -1.112 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.126 0.938 -1.603 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.546 2.599 -2.082 1.00 0.00 H new ATOM 1766 N ARG A 112 -9.366 2.568 1.054 1.00 0.00 N ATOM 1767 CA ARG A 112 -10.810 2.473 0.874 1.00 0.00 C ATOM 1768 C ARG A 112 -11.303 3.514 -0.126 1.00 0.00 C ATOM 1769 O ARG A 112 -10.918 4.682 -0.064 1.00 0.00 O ATOM 1770 CB ARG A 112 -11.525 2.658 2.213 1.00 0.00 C ATOM 1771 CG ARG A 112 -13.033 2.802 2.084 1.00 0.00 C ATOM 1772 CD ARG A 112 -13.722 2.686 3.434 1.00 0.00 C ATOM 1773 NE ARG A 112 -15.119 2.280 3.303 1.00 0.00 N ATOM 1774 CZ ARG A 112 -15.818 1.724 4.286 1.00 0.00 C ATOM 1775 NH1 ARG A 112 -15.252 1.508 5.466 1.00 0.00 N ATOM 1776 NH2 ARG A 112 -17.084 1.382 4.090 1.00 0.00 N ATOM 0 H ARG A 112 -9.024 3.512 1.233 1.00 0.00 H new ATOM 0 HA ARG A 112 -11.038 1.482 0.482 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -11.304 1.805 2.854 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -11.125 3.542 2.710 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -13.270 3.767 1.635 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -13.416 2.035 1.412 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -13.190 1.962 4.051 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -13.670 3.644 3.951 1.00 0.00 H new ATOM 0 HE ARG A 112 -15.583 2.432 2.408 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -14.278 1.769 5.620 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -15.791 1.081 6.220 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -17.522 1.546 3.184 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -17.620 0.955 4.846 1.00 0.00 H new ATOM 1790 N VAL A 113 -12.157 3.083 -1.049 1.00 0.00 N ATOM 1791 CA VAL A 113 -12.704 3.978 -2.062 1.00 0.00 C ATOM 1792 C VAL A 113 -14.215 4.115 -1.918 1.00 0.00 C ATOM 1793 O VAL A 113 -14.944 3.123 -1.941 1.00 0.00 O ATOM 1794 CB VAL A 113 -12.378 3.482 -3.484 1.00 0.00 C ATOM 1795 CG1 VAL A 113 -13.123 4.307 -4.521 1.00 0.00 C ATOM 1796 CG2 VAL A 113 -10.878 3.527 -3.732 1.00 0.00 C ATOM 0 H VAL A 113 -12.485 2.120 -1.116 1.00 0.00 H new ATOM 0 HA VAL A 113 -12.238 4.951 -1.908 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.707 2.447 -3.574 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -12.880 3.942 -5.519 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -14.196 4.219 -4.353 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -12.827 5.353 -4.435 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.665 3.173 -4.741 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -10.522 4.552 -3.624 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.370 2.888 -3.009 1.00 0.00 H new ATOM 1806 N VAL A 114 -14.681 5.351 -1.768 1.00 0.00 N ATOM 1807 CA VAL A 114 -16.107 5.618 -1.621 1.00 0.00 C ATOM 1808 C VAL A 114 -16.692 6.197 -2.904 1.00 0.00 C ATOM 1809 O VAL A 114 -16.067 7.026 -3.564 1.00 0.00 O ATOM 1810 CB VAL A 114 -16.378 6.593 -0.460 1.00 0.00 C ATOM 1811 CG1 VAL A 114 -15.854 6.024 0.849 1.00 0.00 C ATOM 1812 CG2 VAL A 114 -15.755 7.951 -0.748 1.00 0.00 C ATOM 0 H VAL A 114 -14.092 6.183 -1.745 1.00 0.00 H new ATOM 0 HA VAL A 114 -16.588 4.664 -1.404 1.00 0.00 H new ATOM 0 HB VAL A 114 -17.456 6.726 -0.365 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -16.055 6.727 1.658 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -16.352 5.077 1.059 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -14.779 5.859 0.770 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -15.956 8.627 0.083 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -14.678 7.838 -0.871 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -16.184 8.362 -1.662 1.00 0.00 H new ATOM 1822 N GLU A 115 -17.897 5.754 -3.250 1.00 0.00 N ATOM 1823 CA GLU A 115 -18.567 6.228 -4.455 1.00 0.00 C ATOM 1824 C GLU A 115 -18.709 7.748 -4.437 1.00 0.00 C ATOM 1825 O GLU A 115 -19.130 8.332 -3.438 1.00 0.00 O ATOM 1826 CB GLU A 115 -19.946 5.578 -4.589 1.00 0.00 C ATOM 1827 CG GLU A 115 -19.896 4.140 -5.076 1.00 0.00 C ATOM 1828 CD GLU A 115 -21.262 3.482 -5.093 1.00 0.00 C ATOM 1829 OE1 GLU A 115 -21.918 3.451 -4.031 1.00 0.00 O ATOM 1830 OE2 GLU A 115 -21.675 2.998 -6.167 1.00 0.00 O ATOM 0 H GLU A 115 -18.428 5.068 -2.713 1.00 0.00 H new ATOM 0 HA GLU A 115 -17.956 5.947 -5.313 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -20.448 5.608 -3.622 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -20.550 6.166 -5.280 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -19.472 4.115 -6.080 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -19.228 3.566 -4.434 1.00 0.00 H new ATOM 1837 N LYS A 116 -18.353 8.383 -5.548 1.00 0.00 N ATOM 1838 CA LYS A 116 -18.440 9.834 -5.662 1.00 0.00 C ATOM 1839 C LYS A 116 -19.886 10.278 -5.864 1.00 0.00 C ATOM 1840 O LYS A 116 -20.306 11.310 -5.341 1.00 0.00 O ATOM 1841 CB LYS A 116 -17.577 10.328 -6.825 1.00 0.00 C ATOM 1842 CG LYS A 116 -18.088 9.894 -8.189 1.00 0.00 C ATOM 1843 CD LYS A 116 -19.047 10.915 -8.776 1.00 0.00 C ATOM 1844 CE LYS A 116 -19.776 10.361 -9.991 1.00 0.00 C ATOM 1845 NZ LYS A 116 -21.042 11.096 -10.260 1.00 0.00 N ATOM 0 H LYS A 116 -18.001 7.915 -6.383 1.00 0.00 H new ATOM 0 HA LYS A 116 -18.071 10.269 -4.733 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -17.529 11.416 -6.794 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -16.560 9.960 -6.693 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -17.246 9.753 -8.866 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -18.590 8.931 -8.101 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -19.773 11.211 -8.019 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -18.497 11.812 -9.059 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -19.127 10.424 -10.864 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -19.996 9.305 -9.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -21.575 10.607 -11.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -21.614 11.131 -9.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -20.822 12.065 -10.569 1.00 0.00 H new ATOM 1859 N ALA A 117 -20.641 9.492 -6.623 1.00 0.00 N ATOM 1860 CA ALA A 117 -22.040 9.803 -6.891 1.00 0.00 C ATOM 1861 C ALA A 117 -22.884 9.660 -5.629 1.00 0.00 C ATOM 1862 O ALA A 117 -22.522 8.932 -4.706 1.00 0.00 O ATOM 1863 CB ALA A 117 -22.579 8.903 -7.993 1.00 0.00 C ATOM 0 H ALA A 117 -20.308 8.635 -7.064 1.00 0.00 H new ATOM 0 HA ALA A 117 -22.100 10.840 -7.222 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -23.624 9.146 -8.183 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -22.000 9.056 -8.904 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -22.499 7.861 -7.683 1.00 0.00 H new ATOM 1869 N GLY A 118 -24.013 10.363 -5.595 1.00 0.00 N ATOM 1870 CA GLY A 118 -24.891 10.301 -4.441 1.00 0.00 C ATOM 1871 C GLY A 118 -24.211 10.769 -3.170 1.00 0.00 C ATOM 1872 O GLY A 118 -23.436 11.726 -3.188 1.00 0.00 O ATOM 0 H GLY A 118 -24.335 10.974 -6.346 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -25.772 10.915 -4.625 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -25.239 9.277 -4.307 1.00 0.00 H new TER 1876 GLY A 118