USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 960 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 81 MET CE :methyl -133:sc= -1.08 (180deg=-1.6!) USER MOD Set 1.2: A 82 THR OG1 : rot 180:sc= -0.0695 USER MOD Set 2.1: A 68 GLN :FLIP amide:sc= 0 X(o=-0.42,f=-0.13) USER MOD Set 2.2: A 71 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.42) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -119:sc= 0.987 (180deg=-0.107) USER MOD Single : A 2 GLN : amide:sc= -0.314 K(o=-0.31,f=-4.3!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 175:sc= -0.945 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -25:sc= -2.06! USER MOD Single : A 35 ASN : amide:sc= -3.16 K(o=-3.2,f=-4.2) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.138 F(o=-0.71,f=-0.14) USER MOD Single : A 45 SER OG : rot 2:sc= 0.963 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -104:sc= -0.0633 (180deg=-0.816) USER MOD Single : A 60 MET CE :methyl 154:sc=-0.000569 (180deg=-1.09) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 151:sc= -0.193 (180deg=-0.42) USER MOD Single : A 73 HIS : no HD1:sc= -19.7! C(o=-20!,f=-22!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HE2:sc= -9.99! C(o=-10!,f=-13!) USER MOD Single : A 85 SER OG : rot 4:sc= 0.303 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 42:sc= -0.687! USER MOD Single : A 95 GLN : amide:sc= -1.96 K(o=-2,f=-2.5!) USER MOD Single : A 96 GLN : amide:sc= -12.1! C(o=-12!,f=-13!) USER MOD Single : A 101 TYR OH : rot 37:sc= -1.6 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HE2:sc= -0.332 K(o=-0.33,f=-1.3) USER MOD Single : A 122 TYR OH : rot -149:sc= -2.06! USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.403 -16.436 5.785 1.00 0.00 N ATOM 2 CA MET A 1 9.647 -16.832 4.570 1.00 0.00 C ATOM 3 C MET A 1 9.556 -15.677 3.579 1.00 0.00 C ATOM 4 O MET A 1 9.265 -14.543 3.959 1.00 0.00 O ATOM 5 CB MET A 1 8.245 -17.285 4.988 1.00 0.00 C ATOM 6 CG MET A 1 7.464 -16.231 5.757 1.00 0.00 C ATOM 7 SD MET A 1 7.724 -16.338 7.539 1.00 0.00 S ATOM 8 CE MET A 1 6.042 -16.556 8.114 1.00 0.00 C ATOM 0 H1 MET A 1 11.246 -17.038 5.881 1.00 0.00 H new ATOM 0 H2 MET A 1 10.695 -15.441 5.703 1.00 0.00 H new ATOM 0 H3 MET A 1 9.798 -16.551 6.623 1.00 0.00 H new ATOM 0 HA MET A 1 10.170 -17.650 4.075 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.682 -17.563 4.097 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.331 -18.181 5.603 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.758 -15.241 5.409 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.401 -16.342 5.541 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.037 -16.638 9.201 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.440 -15.699 7.812 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.624 -17.464 7.679 1.00 0.00 H new ATOM 20 N GLN A 2 9.810 -15.972 2.309 1.00 0.00 N ATOM 21 CA GLN A 2 9.760 -14.956 1.266 1.00 0.00 C ATOM 22 C GLN A 2 10.818 -13.885 1.502 1.00 0.00 C ATOM 23 O GLN A 2 11.107 -13.522 2.643 1.00 0.00 O ATOM 24 CB GLN A 2 8.372 -14.315 1.212 1.00 0.00 C ATOM 25 CG GLN A 2 7.542 -14.755 0.018 1.00 0.00 C ATOM 26 CD GLN A 2 7.102 -16.203 0.113 1.00 0.00 C ATOM 27 OE1 GLN A 2 7.881 -17.078 0.490 1.00 0.00 O ATOM 28 NE2 GLN A 2 5.846 -16.462 -0.233 1.00 0.00 N ATOM 0 H GLN A 2 10.052 -16.906 1.978 1.00 0.00 H new ATOM 0 HA GLN A 2 9.964 -15.441 0.311 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.833 -14.559 2.128 1.00 0.00 H new ATOM 0 HB3 GLN A 2 8.483 -13.231 1.187 1.00 0.00 H new ATOM 0 HG2 GLN A 2 6.662 -14.117 -0.063 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.122 -14.615 -0.894 1.00 0.00 H new ATOM 0 HE21 GLN A 2 5.235 -15.705 -0.540 1.00 0.00 H new ATOM 0 HE22 GLN A 2 5.492 -17.418 -0.192 1.00 0.00 H new ATOM 37 N ARG A 3 11.390 -13.378 0.417 1.00 0.00 N ATOM 38 CA ARG A 3 12.414 -12.346 0.500 1.00 0.00 C ATOM 39 C ARG A 3 11.813 -11.013 0.938 1.00 0.00 C ATOM 40 O ARG A 3 12.538 -10.084 1.296 1.00 0.00 O ATOM 41 CB ARG A 3 13.112 -12.181 -0.850 1.00 0.00 C ATOM 42 CG ARG A 3 12.185 -11.723 -1.964 1.00 0.00 C ATOM 43 CD ARG A 3 12.871 -11.779 -3.318 1.00 0.00 C ATOM 44 NE ARG A 3 11.914 -11.928 -4.412 1.00 0.00 N ATOM 45 CZ ARG A 3 12.231 -11.813 -5.699 1.00 0.00 C ATOM 46 NH1 ARG A 3 13.481 -11.548 -6.061 1.00 0.00 N ATOM 47 NH2 ARG A 3 11.297 -11.964 -6.628 1.00 0.00 N ATOM 0 H ARG A 3 11.160 -13.667 -0.534 1.00 0.00 H new ATOM 0 HA ARG A 3 13.145 -12.657 1.246 1.00 0.00 H new ATOM 0 HB2 ARG A 3 13.923 -11.460 -0.744 1.00 0.00 H new ATOM 0 HB3 ARG A 3 13.565 -13.131 -1.134 1.00 0.00 H new ATOM 0 HG2 ARG A 3 11.295 -12.352 -1.980 1.00 0.00 H new ATOM 0 HG3 ARG A 3 11.852 -10.704 -1.766 1.00 0.00 H new ATOM 0 HD2 ARG A 3 13.453 -10.870 -3.467 1.00 0.00 H new ATOM 0 HD3 ARG A 3 13.573 -12.613 -3.334 1.00 0.00 H new ATOM 0 HE ARG A 3 10.943 -12.133 -4.174 1.00 0.00 H new ATOM 0 HH11 ARG A 3 14.204 -11.432 -5.351 1.00 0.00 H new ATOM 0 HH12 ARG A 3 13.718 -11.461 -7.049 1.00 0.00 H new ATOM 0 HH21 ARG A 3 10.335 -12.168 -6.356 1.00 0.00 H new ATOM 0 HH22 ARG A 3 11.540 -11.876 -7.615 1.00 0.00 H new ATOM 61 N GLY A 4 10.487 -10.920 0.902 1.00 0.00 N ATOM 62 CA GLY A 4 9.822 -9.694 1.291 1.00 0.00 C ATOM 63 C GLY A 4 9.643 -8.748 0.123 1.00 0.00 C ATOM 64 O GLY A 4 10.501 -7.908 -0.140 1.00 0.00 O ATOM 0 H GLY A 4 9.863 -11.673 0.610 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.847 -9.930 1.718 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.401 -9.200 2.072 1.00 0.00 H new ATOM 68 N ILE A 5 8.534 -8.889 -0.588 1.00 0.00 N ATOM 69 CA ILE A 5 8.261 -8.039 -1.737 1.00 0.00 C ATOM 70 C ILE A 5 7.307 -6.907 -1.374 1.00 0.00 C ATOM 71 O ILE A 5 6.136 -7.141 -1.072 1.00 0.00 O ATOM 72 CB ILE A 5 7.661 -8.844 -2.905 1.00 0.00 C ATOM 73 CG1 ILE A 5 8.500 -10.096 -3.169 1.00 0.00 C ATOM 74 CG2 ILE A 5 7.571 -7.981 -4.157 1.00 0.00 C ATOM 75 CD1 ILE A 5 7.968 -11.332 -2.479 1.00 0.00 C ATOM 0 H ILE A 5 7.811 -9.581 -0.391 1.00 0.00 H new ATOM 0 HA ILE A 5 9.217 -7.618 -2.048 1.00 0.00 H new ATOM 0 HB ILE A 5 6.652 -9.155 -2.634 1.00 0.00 H new ATOM 0 HG12 ILE A 5 8.540 -10.277 -4.243 1.00 0.00 H new ATOM 0 HG13 ILE A 5 9.523 -9.916 -2.838 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.145 -8.566 -4.972 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.936 -7.118 -3.959 1.00 0.00 H new ATOM 0 HG23 ILE A 5 8.568 -7.641 -4.437 1.00 0.00 H new ATOM 0 HD11 ILE A 5 8.610 -12.182 -2.709 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.954 -11.169 -1.401 1.00 0.00 H new ATOM 0 HD13 ILE A 5 6.956 -11.537 -2.829 1.00 0.00 H new ATOM 87 N VAL A 6 7.812 -5.678 -1.408 1.00 0.00 N ATOM 88 CA VAL A 6 6.992 -4.517 -1.088 1.00 0.00 C ATOM 89 C VAL A 6 6.628 -3.740 -2.347 1.00 0.00 C ATOM 90 O VAL A 6 7.499 -3.308 -3.096 1.00 0.00 O ATOM 91 CB VAL A 6 7.695 -3.570 -0.093 1.00 0.00 C ATOM 92 CG1 VAL A 6 9.062 -3.149 -0.614 1.00 0.00 C ATOM 93 CG2 VAL A 6 6.822 -2.355 0.186 1.00 0.00 C ATOM 0 H VAL A 6 8.778 -5.462 -1.652 1.00 0.00 H new ATOM 0 HA VAL A 6 6.084 -4.898 -0.621 1.00 0.00 H new ATOM 0 HB VAL A 6 7.848 -4.107 0.843 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.536 -2.482 0.106 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.685 -4.032 -0.756 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.945 -2.631 -1.566 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.330 -1.696 0.889 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.636 -1.819 -0.745 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.873 -2.679 0.613 1.00 0.00 H new ATOM 103 N TRP A 7 5.330 -3.562 -2.570 1.00 0.00 N ATOM 104 CA TRP A 7 4.848 -2.835 -3.738 1.00 0.00 C ATOM 105 C TRP A 7 4.135 -1.553 -3.317 1.00 0.00 C ATOM 106 O TRP A 7 3.247 -1.577 -2.471 1.00 0.00 O ATOM 107 CB TRP A 7 3.918 -3.724 -4.563 1.00 0.00 C ATOM 108 CG TRP A 7 4.658 -4.703 -5.424 1.00 0.00 C ATOM 109 CD1 TRP A 7 5.990 -4.999 -5.366 1.00 0.00 C ATOM 110 CD2 TRP A 7 4.113 -5.517 -6.469 1.00 0.00 C ATOM 111 NE1 TRP A 7 6.312 -5.929 -6.319 1.00 0.00 N ATOM 112 CE2 TRP A 7 5.175 -6.270 -7.007 1.00 0.00 C ATOM 113 CE3 TRP A 7 2.832 -5.681 -7.007 1.00 0.00 C ATOM 114 CZ2 TRP A 7 4.993 -7.172 -8.052 1.00 0.00 C ATOM 115 CZ3 TRP A 7 2.654 -6.576 -8.043 1.00 0.00 C ATOM 116 CH2 TRP A 7 3.730 -7.312 -8.556 1.00 0.00 C ATOM 0 H TRP A 7 4.593 -3.911 -1.957 1.00 0.00 H new ATOM 0 HA TRP A 7 5.703 -2.559 -4.355 1.00 0.00 H new ATOM 0 HB2 TRP A 7 3.254 -4.268 -3.892 1.00 0.00 H new ATOM 0 HB3 TRP A 7 3.289 -3.096 -5.194 1.00 0.00 H new ATOM 0 HD1 TRP A 7 6.689 -4.562 -4.669 1.00 0.00 H new ATOM 0 HE1 TRP A 7 7.244 -6.306 -6.489 1.00 0.00 H new ATOM 0 HE3 TRP A 7 1.997 -5.117 -6.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 5.820 -7.741 -8.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 1.669 -6.711 -8.465 1.00 0.00 H new ATOM 0 HH2 TRP A 7 3.558 -8.005 -9.367 1.00 0.00 H new ATOM 127 N VAL A 8 4.543 -0.433 -3.901 1.00 0.00 N ATOM 128 CA VAL A 8 3.954 0.860 -3.566 1.00 0.00 C ATOM 129 C VAL A 8 3.170 1.435 -4.740 1.00 0.00 C ATOM 130 O VAL A 8 3.569 1.298 -5.889 1.00 0.00 O ATOM 131 CB VAL A 8 5.033 1.888 -3.145 1.00 0.00 C ATOM 132 CG1 VAL A 8 4.503 2.793 -2.046 1.00 0.00 C ATOM 133 CG2 VAL A 8 6.320 1.203 -2.696 1.00 0.00 C ATOM 0 H VAL A 8 5.278 -0.393 -4.607 1.00 0.00 H new ATOM 0 HA VAL A 8 3.280 0.681 -2.728 1.00 0.00 H new ATOM 0 HB VAL A 8 5.270 2.494 -4.019 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.274 3.510 -1.762 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.625 3.328 -2.407 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.230 2.191 -1.179 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.053 1.957 -2.409 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.110 0.557 -1.843 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.718 0.604 -3.515 1.00 0.00 H new ATOM 143 N VAL A 9 2.057 2.091 -4.445 1.00 0.00 N ATOM 144 CA VAL A 9 1.240 2.692 -5.492 1.00 0.00 C ATOM 145 C VAL A 9 1.064 4.186 -5.245 1.00 0.00 C ATOM 146 O VAL A 9 0.409 4.602 -4.287 1.00 0.00 O ATOM 147 CB VAL A 9 -0.141 2.002 -5.632 1.00 0.00 C ATOM 148 CG1 VAL A 9 -0.266 1.375 -7.012 1.00 0.00 C ATOM 149 CG2 VAL A 9 -0.346 0.950 -4.550 1.00 0.00 C ATOM 0 H VAL A 9 1.700 2.221 -3.498 1.00 0.00 H new ATOM 0 HA VAL A 9 1.771 2.546 -6.433 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.916 2.758 -5.509 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.238 0.891 -7.105 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.171 2.149 -7.773 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.522 0.634 -7.148 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.324 0.484 -4.676 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.431 0.190 -4.630 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.292 1.422 -3.569 1.00 0.00 H new ATOM 159 N ASP A 10 1.680 4.989 -6.112 1.00 0.00 N ATOM 160 CA ASP A 10 1.628 6.439 -5.992 1.00 0.00 C ATOM 161 C ASP A 10 2.002 7.117 -7.312 1.00 0.00 C ATOM 162 O ASP A 10 1.916 6.510 -8.375 1.00 0.00 O ATOM 163 CB ASP A 10 2.571 6.892 -4.877 1.00 0.00 C ATOM 164 CG ASP A 10 2.017 8.056 -4.080 1.00 0.00 C ATOM 165 OD1 ASP A 10 1.295 8.888 -4.668 1.00 0.00 O ATOM 166 OD2 ASP A 10 2.308 8.136 -2.869 1.00 0.00 O ATOM 0 H ASP A 10 2.223 4.654 -6.908 1.00 0.00 H new ATOM 0 HA ASP A 10 0.607 6.731 -5.746 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.762 6.055 -4.205 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.529 7.177 -5.311 1.00 0.00 H new ATOM 171 N ASP A 11 2.411 8.379 -7.235 1.00 0.00 N ATOM 172 CA ASP A 11 2.786 9.140 -8.424 1.00 0.00 C ATOM 173 C ASP A 11 4.048 8.589 -9.093 1.00 0.00 C ATOM 174 O ASP A 11 4.472 9.095 -10.133 1.00 0.00 O ATOM 175 CB ASP A 11 2.993 10.614 -8.066 1.00 0.00 C ATOM 176 CG ASP A 11 1.759 11.452 -8.336 1.00 0.00 C ATOM 177 OD1 ASP A 11 0.777 11.326 -7.574 1.00 0.00 O ATOM 178 OD2 ASP A 11 1.774 12.236 -9.308 1.00 0.00 O ATOM 0 H ASP A 11 2.492 8.898 -6.361 1.00 0.00 H new ATOM 0 HA ASP A 11 1.967 9.044 -9.136 1.00 0.00 H new ATOM 0 HB2 ASP A 11 3.261 10.695 -7.013 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.831 11.010 -8.639 1.00 0.00 H new ATOM 183 N ASP A 12 4.650 7.556 -8.505 1.00 0.00 N ATOM 184 CA ASP A 12 5.858 6.958 -9.066 1.00 0.00 C ATOM 185 C ASP A 12 7.039 7.928 -8.974 1.00 0.00 C ATOM 186 O ASP A 12 7.035 8.835 -8.142 1.00 0.00 O ATOM 187 CB ASP A 12 5.614 6.552 -10.523 1.00 0.00 C ATOM 188 CG ASP A 12 6.252 5.222 -10.869 1.00 0.00 C ATOM 189 OD1 ASP A 12 7.428 5.014 -10.503 1.00 0.00 O ATOM 190 OD2 ASP A 12 5.576 4.386 -11.506 1.00 0.00 O ATOM 0 H ASP A 12 4.322 7.118 -7.644 1.00 0.00 H new ATOM 0 HA ASP A 12 6.104 6.068 -8.487 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.541 6.495 -10.706 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.010 7.324 -11.183 1.00 0.00 H new ATOM 195 N SER A 13 8.039 7.733 -9.840 1.00 0.00 N ATOM 196 CA SER A 13 9.228 8.580 -9.885 1.00 0.00 C ATOM 197 C SER A 13 9.649 9.078 -8.497 1.00 0.00 C ATOM 198 O SER A 13 10.429 8.422 -7.807 1.00 0.00 O ATOM 199 CB SER A 13 8.981 9.734 -10.849 1.00 0.00 C ATOM 200 OG SER A 13 10.201 10.272 -11.334 1.00 0.00 O ATOM 0 H SER A 13 8.043 6.981 -10.529 1.00 0.00 H new ATOM 0 HA SER A 13 10.064 7.982 -10.246 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.376 9.387 -11.687 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.411 10.515 -10.346 1.00 0.00 H new ATOM 0 HG SER A 13 10.011 11.009 -11.951 1.00 0.00 H new ATOM 206 N SER A 14 9.136 10.235 -8.096 1.00 0.00 N ATOM 207 CA SER A 14 9.466 10.813 -6.795 1.00 0.00 C ATOM 208 C SER A 14 9.190 9.823 -5.669 1.00 0.00 C ATOM 209 O SER A 14 10.100 9.429 -4.941 1.00 0.00 O ATOM 210 CB SER A 14 8.668 12.098 -6.567 1.00 0.00 C ATOM 211 OG SER A 14 8.816 12.561 -5.236 1.00 0.00 O ATOM 0 H SER A 14 8.489 10.794 -8.652 1.00 0.00 H new ATOM 0 HA SER A 14 10.530 11.048 -6.792 1.00 0.00 H new ATOM 0 HB2 SER A 14 9.005 12.867 -7.262 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.614 11.917 -6.777 1.00 0.00 H new ATOM 0 HG SER A 14 8.298 13.384 -5.116 1.00 0.00 H new ATOM 217 N ILE A 15 7.932 9.416 -5.530 1.00 0.00 N ATOM 218 CA ILE A 15 7.556 8.465 -4.492 1.00 0.00 C ATOM 219 C ILE A 15 8.277 7.138 -4.689 1.00 0.00 C ATOM 220 O ILE A 15 8.437 6.359 -3.750 1.00 0.00 O ATOM 221 CB ILE A 15 6.037 8.208 -4.474 1.00 0.00 C ATOM 222 CG1 ILE A 15 5.265 9.529 -4.482 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.658 7.376 -3.257 1.00 0.00 C ATOM 224 CD1 ILE A 15 5.576 10.423 -3.301 1.00 0.00 C ATOM 0 H ILE A 15 7.161 9.728 -6.120 1.00 0.00 H new ATOM 0 HA ILE A 15 7.848 8.907 -3.540 1.00 0.00 H new ATOM 0 HB ILE A 15 5.770 7.652 -5.373 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.492 10.066 -5.403 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.196 9.315 -4.493 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.582 7.202 -3.256 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.181 6.420 -3.293 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.940 7.910 -2.349 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.992 11.340 -3.375 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.323 9.905 -2.376 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.638 10.668 -3.300 1.00 0.00 H new ATOM 236 N ARG A 16 8.703 6.887 -5.921 1.00 0.00 N ATOM 237 CA ARG A 16 9.399 5.652 -6.256 1.00 0.00 C ATOM 238 C ARG A 16 10.840 5.666 -5.758 1.00 0.00 C ATOM 239 O ARG A 16 11.264 4.762 -5.040 1.00 0.00 O ATOM 240 CB ARG A 16 9.370 5.418 -7.768 1.00 0.00 C ATOM 241 CG ARG A 16 10.005 4.103 -8.191 1.00 0.00 C ATOM 242 CD ARG A 16 10.463 4.140 -9.641 1.00 0.00 C ATOM 243 NE ARG A 16 11.252 2.962 -9.997 1.00 0.00 N ATOM 244 CZ ARG A 16 11.695 2.708 -11.226 1.00 0.00 C ATOM 245 NH1 ARG A 16 11.432 3.545 -12.221 1.00 0.00 N ATOM 246 NH2 ARG A 16 12.406 1.613 -11.462 1.00 0.00 N ATOM 0 H ARG A 16 8.578 7.525 -6.707 1.00 0.00 H new ATOM 0 HA ARG A 16 8.879 4.835 -5.756 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.336 5.440 -8.111 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.888 6.239 -8.265 1.00 0.00 H new ATOM 0 HG2 ARG A 16 10.856 3.886 -7.546 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.288 3.293 -8.056 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.593 4.204 -10.294 1.00 0.00 H new ATOM 0 HD3 ARG A 16 11.056 5.038 -9.811 1.00 0.00 H new ATOM 0 HE ARG A 16 11.477 2.295 -9.259 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.887 4.389 -12.047 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.775 3.344 -13.160 1.00 0.00 H new ATOM 0 HH21 ARG A 16 12.613 0.966 -10.701 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.745 1.418 -12.404 1.00 0.00 H new ATOM 260 N TRP A 17 11.594 6.688 -6.148 1.00 0.00 N ATOM 261 CA TRP A 17 12.990 6.796 -5.742 1.00 0.00 C ATOM 262 C TRP A 17 13.132 6.829 -4.225 1.00 0.00 C ATOM 263 O TRP A 17 14.076 6.267 -3.670 1.00 0.00 O ATOM 264 CB TRP A 17 13.625 8.049 -6.344 1.00 0.00 C ATOM 265 CG TRP A 17 15.088 8.165 -6.041 1.00 0.00 C ATOM 266 CD1 TRP A 17 16.124 7.725 -6.812 1.00 0.00 C ATOM 267 CD2 TRP A 17 15.674 8.754 -4.876 1.00 0.00 C ATOM 268 NE1 TRP A 17 17.320 8.005 -6.198 1.00 0.00 N ATOM 269 CE2 TRP A 17 17.070 8.637 -5.007 1.00 0.00 C ATOM 270 CE3 TRP A 17 15.152 9.370 -3.737 1.00 0.00 C ATOM 271 CZ2 TRP A 17 17.951 9.114 -4.040 1.00 0.00 C ATOM 272 CZ3 TRP A 17 16.028 9.843 -2.775 1.00 0.00 C ATOM 273 CH2 TRP A 17 17.414 9.712 -2.933 1.00 0.00 C ATOM 0 H TRP A 17 11.264 7.449 -6.741 1.00 0.00 H new ATOM 0 HA TRP A 17 13.507 5.912 -6.114 1.00 0.00 H new ATOM 0 HB2 TRP A 17 13.483 8.039 -7.425 1.00 0.00 H new ATOM 0 HB3 TRP A 17 13.109 8.930 -5.963 1.00 0.00 H new ATOM 0 HD1 TRP A 17 16.019 7.229 -7.766 1.00 0.00 H new ATOM 0 HE1 TRP A 17 18.244 7.780 -6.568 1.00 0.00 H new ATOM 0 HE3 TRP A 17 14.085 9.476 -3.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 19.020 9.015 -4.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 15.637 10.321 -1.889 1.00 0.00 H new ATOM 0 HH2 TRP A 17 18.072 10.091 -2.165 1.00 0.00 H new ATOM 284 N VAL A 18 12.209 7.511 -3.560 1.00 0.00 N ATOM 285 CA VAL A 18 12.255 7.640 -2.108 1.00 0.00 C ATOM 286 C VAL A 18 11.962 6.326 -1.394 1.00 0.00 C ATOM 287 O VAL A 18 12.642 5.972 -0.430 1.00 0.00 O ATOM 288 CB VAL A 18 11.273 8.712 -1.596 1.00 0.00 C ATOM 289 CG1 VAL A 18 11.623 9.107 -0.171 1.00 0.00 C ATOM 290 CG2 VAL A 18 11.265 9.934 -2.505 1.00 0.00 C ATOM 0 H VAL A 18 11.420 7.983 -4.001 1.00 0.00 H new ATOM 0 HA VAL A 18 13.276 7.943 -1.877 1.00 0.00 H new ATOM 0 HB VAL A 18 10.270 8.285 -1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.922 9.865 0.179 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.563 8.231 0.475 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.636 9.509 -0.143 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.563 10.672 -2.117 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.264 10.368 -2.540 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.962 9.638 -3.510 1.00 0.00 H new ATOM 300 N LEU A 19 10.938 5.625 -1.847 1.00 0.00 N ATOM 301 CA LEU A 19 10.546 4.367 -1.224 1.00 0.00 C ATOM 302 C LEU A 19 11.362 3.186 -1.735 1.00 0.00 C ATOM 303 O LEU A 19 11.521 2.186 -1.034 1.00 0.00 O ATOM 304 CB LEU A 19 9.052 4.096 -1.439 1.00 0.00 C ATOM 305 CG LEU A 19 8.268 3.776 -0.165 1.00 0.00 C ATOM 306 CD1 LEU A 19 8.784 2.494 0.475 1.00 0.00 C ATOM 307 CD2 LEU A 19 8.353 4.936 0.815 1.00 0.00 C ATOM 0 H LEU A 19 10.362 5.902 -2.642 1.00 0.00 H new ATOM 0 HA LEU A 19 10.746 4.472 -0.158 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.604 4.968 -1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.945 3.263 -2.134 1.00 0.00 H new ATOM 0 HG LEU A 19 7.222 3.626 -0.432 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.214 2.284 1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.671 1.667 -0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.837 2.613 0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.790 4.693 1.716 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.396 5.116 1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.934 5.831 0.356 1.00 0.00 H new ATOM 319 N GLU A 20 11.866 3.290 -2.953 1.00 0.00 N ATOM 320 CA GLU A 20 12.644 2.205 -3.535 1.00 0.00 C ATOM 321 C GLU A 20 13.977 2.010 -2.819 1.00 0.00 C ATOM 322 O GLU A 20 14.247 0.938 -2.284 1.00 0.00 O ATOM 323 CB GLU A 20 12.868 2.426 -5.039 1.00 0.00 C ATOM 324 CG GLU A 20 13.918 3.469 -5.392 1.00 0.00 C ATOM 325 CD GLU A 20 14.050 3.682 -6.888 1.00 0.00 C ATOM 326 OE1 GLU A 20 13.014 3.880 -7.553 1.00 0.00 O ATOM 327 OE2 GLU A 20 15.191 3.652 -7.392 1.00 0.00 O ATOM 0 H GLU A 20 11.753 4.106 -3.555 1.00 0.00 H new ATOM 0 HA GLU A 20 12.062 1.293 -3.403 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.156 1.477 -5.490 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.921 2.720 -5.492 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.660 4.415 -4.916 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.882 3.161 -4.986 1.00 0.00 H new ATOM 334 N ARG A 21 14.808 3.042 -2.827 1.00 0.00 N ATOM 335 CA ARG A 21 16.125 2.978 -2.201 1.00 0.00 C ATOM 336 C ARG A 21 16.036 2.698 -0.704 1.00 0.00 C ATOM 337 O ARG A 21 16.681 1.778 -0.200 1.00 0.00 O ATOM 338 CB ARG A 21 16.895 4.278 -2.442 1.00 0.00 C ATOM 339 CG ARG A 21 17.295 4.488 -3.895 1.00 0.00 C ATOM 340 CD ARG A 21 18.769 4.183 -4.125 1.00 0.00 C ATOM 341 NE ARG A 21 19.042 3.819 -5.515 1.00 0.00 N ATOM 342 CZ ARG A 21 19.288 2.577 -5.934 1.00 0.00 C ATOM 343 NH1 ARG A 21 19.289 1.561 -5.079 1.00 0.00 N ATOM 344 NH2 ARG A 21 19.531 2.350 -7.218 1.00 0.00 N ATOM 0 H ARG A 21 14.594 3.939 -3.262 1.00 0.00 H new ATOM 0 HA ARG A 21 16.660 2.148 -2.663 1.00 0.00 H new ATOM 0 HB2 ARG A 21 16.282 5.119 -2.117 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.792 4.279 -1.823 1.00 0.00 H new ATOM 0 HG2 ARG A 21 16.687 3.849 -4.535 1.00 0.00 H new ATOM 0 HG3 ARG A 21 17.088 5.518 -4.184 1.00 0.00 H new ATOM 0 HD2 ARG A 21 19.366 5.054 -3.854 1.00 0.00 H new ATOM 0 HD3 ARG A 21 19.077 3.369 -3.470 1.00 0.00 H new ATOM 0 HE ARG A 21 19.044 4.565 -6.211 1.00 0.00 H new ATOM 0 HH11 ARG A 21 19.100 1.726 -4.090 1.00 0.00 H new ATOM 0 HH12 ARG A 21 19.478 0.615 -5.411 1.00 0.00 H new ATOM 0 HH21 ARG A 21 19.529 3.124 -7.882 1.00 0.00 H new ATOM 0 HH22 ARG A 21 19.719 1.401 -7.541 1.00 0.00 H new ATOM 358 N ALA A 22 15.251 3.498 0.008 1.00 0.00 N ATOM 359 CA ALA A 22 15.103 3.330 1.450 1.00 0.00 C ATOM 360 C ALA A 22 14.703 1.911 1.808 1.00 0.00 C ATOM 361 O ALA A 22 15.319 1.277 2.662 1.00 0.00 O ATOM 362 CB ALA A 22 14.097 4.329 2.004 1.00 0.00 C ATOM 0 H ALA A 22 14.709 4.267 -0.387 1.00 0.00 H new ATOM 0 HA ALA A 22 16.073 3.523 1.908 1.00 0.00 H new ATOM 0 HB1 ALA A 22 14.000 4.189 3.081 1.00 0.00 H new ATOM 0 HB2 ALA A 22 14.441 5.343 1.800 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.129 4.172 1.529 1.00 0.00 H new ATOM 368 N LEU A 23 13.673 1.416 1.149 1.00 0.00 N ATOM 369 CA LEU A 23 13.202 0.066 1.404 1.00 0.00 C ATOM 370 C LEU A 23 14.205 -0.953 0.879 1.00 0.00 C ATOM 371 O LEU A 23 14.322 -2.060 1.409 1.00 0.00 O ATOM 372 CB LEU A 23 11.820 -0.164 0.784 1.00 0.00 C ATOM 373 CG LEU A 23 10.940 -1.212 1.484 1.00 0.00 C ATOM 374 CD1 LEU A 23 11.314 -1.365 2.957 1.00 0.00 C ATOM 375 CD2 LEU A 23 9.471 -0.845 1.349 1.00 0.00 C ATOM 0 H LEU A 23 13.148 1.924 0.437 1.00 0.00 H new ATOM 0 HA LEU A 23 13.108 -0.063 2.482 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.284 0.785 0.774 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.954 -0.465 -0.255 1.00 0.00 H new ATOM 0 HG LEU A 23 11.113 -2.170 0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.671 -2.114 3.420 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.354 -1.680 3.037 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.184 -0.410 3.467 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.861 -1.597 1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.296 0.129 1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.202 -0.803 0.294 1.00 0.00 H new ATOM 387 N ALA A 24 14.954 -0.562 -0.144 1.00 0.00 N ATOM 388 CA ALA A 24 15.971 -1.434 -0.703 1.00 0.00 C ATOM 389 C ALA A 24 17.079 -1.617 0.317 1.00 0.00 C ATOM 390 O ALA A 24 17.664 -2.694 0.432 1.00 0.00 O ATOM 391 CB ALA A 24 16.535 -0.872 -2.000 1.00 0.00 C ATOM 0 H ALA A 24 14.875 0.348 -0.599 1.00 0.00 H new ATOM 0 HA ALA A 24 15.517 -2.397 -0.936 1.00 0.00 H new ATOM 0 HB1 ALA A 24 17.294 -1.550 -2.391 1.00 0.00 H new ATOM 0 HB2 ALA A 24 15.732 -0.766 -2.730 1.00 0.00 H new ATOM 0 HB3 ALA A 24 16.983 0.103 -1.809 1.00 0.00 H new ATOM 397 N GLY A 25 17.345 -0.557 1.080 1.00 0.00 N ATOM 398 CA GLY A 25 18.360 -0.630 2.105 1.00 0.00 C ATOM 399 C GLY A 25 17.990 -1.646 3.165 1.00 0.00 C ATOM 400 O GLY A 25 18.859 -2.219 3.820 1.00 0.00 O ATOM 0 H GLY A 25 16.875 0.345 1.003 1.00 0.00 H new ATOM 0 HA2 GLY A 25 19.316 -0.899 1.656 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.489 0.350 2.565 1.00 0.00 H new ATOM 404 N ALA A 26 16.686 -1.871 3.318 1.00 0.00 N ATOM 405 CA ALA A 26 16.179 -2.825 4.287 1.00 0.00 C ATOM 406 C ALA A 26 16.343 -4.259 3.783 1.00 0.00 C ATOM 407 O ALA A 26 16.258 -5.211 4.559 1.00 0.00 O ATOM 408 CB ALA A 26 14.720 -2.529 4.599 1.00 0.00 C ATOM 0 H ALA A 26 15.962 -1.399 2.776 1.00 0.00 H new ATOM 0 HA ALA A 26 16.760 -2.725 5.204 1.00 0.00 H new ATOM 0 HB1 ALA A 26 14.350 -3.251 5.327 1.00 0.00 H new ATOM 0 HB2 ALA A 26 14.632 -1.523 5.009 1.00 0.00 H new ATOM 0 HB3 ALA A 26 14.131 -2.601 3.685 1.00 0.00 H new ATOM 414 N GLY A 27 16.599 -4.406 2.482 1.00 0.00 N ATOM 415 CA GLY A 27 16.794 -5.726 1.912 1.00 0.00 C ATOM 416 C GLY A 27 15.554 -6.311 1.255 1.00 0.00 C ATOM 417 O GLY A 27 15.423 -7.532 1.173 1.00 0.00 O ATOM 0 H GLY A 27 16.674 -3.636 1.818 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.594 -5.676 1.173 1.00 0.00 H new ATOM 0 HA3 GLY A 27 17.129 -6.403 2.698 1.00 0.00 H new ATOM 421 N LEU A 28 14.642 -5.463 0.779 1.00 0.00 N ATOM 422 CA LEU A 28 13.435 -5.962 0.133 1.00 0.00 C ATOM 423 C LEU A 28 13.266 -5.389 -1.269 1.00 0.00 C ATOM 424 O LEU A 28 13.985 -4.474 -1.672 1.00 0.00 O ATOM 425 CB LEU A 28 12.186 -5.661 0.968 1.00 0.00 C ATOM 426 CG LEU A 28 12.428 -5.381 2.448 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.648 -3.907 2.671 1.00 0.00 C ATOM 428 CD2 LEU A 28 11.265 -5.894 3.284 1.00 0.00 C ATOM 0 H LEU A 28 14.715 -4.447 0.828 1.00 0.00 H new ATOM 0 HA LEU A 28 13.550 -7.043 0.052 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.680 -4.799 0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.504 -6.507 0.885 1.00 0.00 H new ATOM 0 HG LEU A 28 13.327 -5.910 2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.819 -3.721 3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.516 -3.578 2.100 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.768 -3.354 2.343 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.454 -5.686 4.337 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.347 -5.395 2.975 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.160 -6.969 3.140 1.00 0.00 H new ATOM 440 N THR A 29 12.300 -5.936 -2.001 1.00 0.00 N ATOM 441 CA THR A 29 12.014 -5.487 -3.359 1.00 0.00 C ATOM 442 C THR A 29 10.905 -4.444 -3.342 1.00 0.00 C ATOM 443 O THR A 29 9.738 -4.769 -3.131 1.00 0.00 O ATOM 444 CB THR A 29 11.605 -6.675 -4.233 1.00 0.00 C ATOM 445 OG1 THR A 29 12.690 -7.571 -4.399 1.00 0.00 O ATOM 446 CG2 THR A 29 11.126 -6.272 -5.611 1.00 0.00 C ATOM 0 H THR A 29 11.700 -6.694 -1.675 1.00 0.00 H new ATOM 0 HA THR A 29 12.915 -5.038 -3.777 1.00 0.00 H new ATOM 0 HB THR A 29 10.777 -7.149 -3.705 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.409 -8.325 -4.959 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.853 -7.163 -6.176 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.257 -5.620 -5.518 1.00 0.00 H new ATOM 0 HG23 THR A 29 11.923 -5.742 -6.133 1.00 0.00 H new ATOM 454 N CYS A 30 11.284 -3.188 -3.549 1.00 0.00 N ATOM 455 CA CYS A 30 10.326 -2.091 -3.535 1.00 0.00 C ATOM 456 C CYS A 30 10.042 -1.563 -4.937 1.00 0.00 C ATOM 457 O CYS A 30 10.892 -0.923 -5.556 1.00 0.00 O ATOM 458 CB CYS A 30 10.853 -0.961 -2.655 1.00 0.00 C ATOM 459 SG CYS A 30 9.672 0.384 -2.395 1.00 0.00 S ATOM 0 H CYS A 30 12.247 -2.905 -3.728 1.00 0.00 H new ATOM 0 HA CYS A 30 9.389 -2.474 -3.131 1.00 0.00 H new ATOM 0 HB2 CYS A 30 11.138 -1.372 -1.687 1.00 0.00 H new ATOM 0 HB3 CYS A 30 11.757 -0.554 -3.108 1.00 0.00 H new ATOM 0 HG CYS A 30 10.166 1.237 -1.548 1.00 0.00 H new ATOM 465 N THR A 31 8.831 -1.814 -5.421 1.00 0.00 N ATOM 466 CA THR A 31 8.425 -1.341 -6.737 1.00 0.00 C ATOM 467 C THR A 31 7.237 -0.401 -6.586 1.00 0.00 C ATOM 468 O THR A 31 6.481 -0.503 -5.620 1.00 0.00 O ATOM 469 CB THR A 31 8.058 -2.512 -7.655 1.00 0.00 C ATOM 470 OG1 THR A 31 8.141 -2.117 -9.016 1.00 0.00 O ATOM 471 CG2 THR A 31 6.657 -3.031 -7.427 1.00 0.00 C ATOM 0 H THR A 31 8.115 -2.342 -4.922 1.00 0.00 H new ATOM 0 HA THR A 31 9.261 -0.809 -7.192 1.00 0.00 H new ATOM 0 HB THR A 31 8.770 -3.303 -7.419 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.906 -2.875 -9.591 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.460 -3.859 -8.108 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.560 -3.377 -6.398 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.939 -2.232 -7.610 1.00 0.00 H new ATOM 479 N THR A 32 7.074 0.523 -7.522 1.00 0.00 N ATOM 480 CA THR A 32 5.976 1.470 -7.444 1.00 0.00 C ATOM 481 C THR A 32 5.142 1.486 -8.715 1.00 0.00 C ATOM 482 O THR A 32 5.595 1.089 -9.787 1.00 0.00 O ATOM 483 CB THR A 32 6.506 2.860 -7.134 1.00 0.00 C ATOM 484 OG1 THR A 32 7.153 3.418 -8.263 1.00 0.00 O ATOM 485 CG2 THR A 32 7.484 2.856 -5.982 1.00 0.00 C ATOM 0 H THR A 32 7.681 0.635 -8.334 1.00 0.00 H new ATOM 0 HA THR A 32 5.320 1.148 -6.635 1.00 0.00 H new ATOM 0 HB THR A 32 5.639 3.461 -6.860 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.476 2.698 -8.844 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.835 3.872 -5.799 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.991 2.475 -5.087 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.333 2.218 -6.228 1.00 0.00 H new ATOM 493 N PHE A 33 3.906 1.933 -8.560 1.00 0.00 N ATOM 494 CA PHE A 33 2.957 1.995 -9.655 1.00 0.00 C ATOM 495 C PHE A 33 2.354 3.394 -9.785 1.00 0.00 C ATOM 496 O PHE A 33 2.640 4.279 -8.980 1.00 0.00 O ATOM 497 CB PHE A 33 1.861 0.959 -9.464 1.00 0.00 C ATOM 498 CG PHE A 33 2.369 -0.450 -9.276 1.00 0.00 C ATOM 499 CD1 PHE A 33 3.203 -0.772 -8.216 1.00 0.00 C ATOM 500 CD2 PHE A 33 2.004 -1.452 -10.158 1.00 0.00 C ATOM 501 CE1 PHE A 33 3.660 -2.063 -8.044 1.00 0.00 C ATOM 502 CE2 PHE A 33 2.458 -2.743 -9.992 1.00 0.00 C ATOM 503 CZ PHE A 33 3.287 -3.053 -8.935 1.00 0.00 C ATOM 0 H PHE A 33 3.534 2.263 -7.669 1.00 0.00 H new ATOM 0 HA PHE A 33 3.492 1.774 -10.578 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.261 1.236 -8.597 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.199 0.982 -10.330 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.498 -0.004 -7.517 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.354 -1.219 -10.988 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.309 -2.300 -7.214 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.164 -3.512 -10.691 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.643 -4.064 -8.803 1.00 0.00 H new ATOM 513 N GLU A 34 1.558 3.593 -10.833 1.00 0.00 N ATOM 514 CA GLU A 34 0.953 4.894 -11.119 1.00 0.00 C ATOM 515 C GLU A 34 0.019 5.401 -10.013 1.00 0.00 C ATOM 516 O GLU A 34 -0.051 6.608 -9.789 1.00 0.00 O ATOM 517 CB GLU A 34 0.175 4.822 -12.433 1.00 0.00 C ATOM 518 CG GLU A 34 -0.899 3.748 -12.439 1.00 0.00 C ATOM 519 CD GLU A 34 -2.201 4.208 -11.809 1.00 0.00 C ATOM 520 OE1 GLU A 34 -2.576 5.381 -12.010 1.00 0.00 O ATOM 521 OE2 GLU A 34 -2.843 3.390 -11.113 1.00 0.00 O ATOM 0 H GLU A 34 1.315 2.864 -11.504 1.00 0.00 H new ATOM 0 HA GLU A 34 1.778 5.603 -11.186 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.288 5.790 -12.626 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.872 4.633 -13.250 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.089 3.437 -13.466 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.532 2.872 -11.904 1.00 0.00 H new ATOM 528 N ASN A 35 -0.707 4.519 -9.321 1.00 0.00 N ATOM 529 CA ASN A 35 -1.605 4.999 -8.265 1.00 0.00 C ATOM 530 C ASN A 35 -2.317 3.886 -7.506 1.00 0.00 C ATOM 531 O ASN A 35 -2.527 3.991 -6.298 1.00 0.00 O ATOM 532 CB ASN A 35 -2.638 5.961 -8.855 1.00 0.00 C ATOM 533 CG ASN A 35 -2.792 7.217 -8.019 1.00 0.00 C ATOM 534 OD1 ASN A 35 -3.502 7.225 -7.015 1.00 0.00 O ATOM 535 ND2 ASN A 35 -2.119 8.285 -8.431 1.00 0.00 N ATOM 0 H ASN A 35 -0.695 3.509 -9.463 1.00 0.00 H new ATOM 0 HA ASN A 35 -0.972 5.511 -7.540 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.341 6.234 -9.868 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.601 5.456 -8.931 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -2.179 9.159 -7.908 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.542 8.232 -9.270 1.00 0.00 H new ATOM 542 N GLY A 36 -2.705 2.838 -8.205 1.00 0.00 N ATOM 543 CA GLY A 36 -3.407 1.743 -7.557 1.00 0.00 C ATOM 544 C GLY A 36 -3.910 0.707 -8.535 1.00 0.00 C ATOM 545 O GLY A 36 -3.732 -0.493 -8.329 1.00 0.00 O ATOM 0 H GLY A 36 -2.550 2.719 -9.206 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.740 1.265 -6.839 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.250 2.142 -6.992 1.00 0.00 H new ATOM 549 N ASN A 37 -4.544 1.172 -9.605 1.00 0.00 N ATOM 550 CA ASN A 37 -5.082 0.279 -10.621 1.00 0.00 C ATOM 551 C ASN A 37 -3.981 -0.573 -11.240 1.00 0.00 C ATOM 552 O ASN A 37 -4.219 -1.695 -11.686 1.00 0.00 O ATOM 553 CB ASN A 37 -5.796 1.083 -11.706 1.00 0.00 C ATOM 554 CG ASN A 37 -7.115 0.458 -12.111 1.00 0.00 C ATOM 555 OD1 ASN A 37 -7.986 0.234 -11.134 1.00 0.00 O flip ATOM 556 ND2 ASN A 37 -7.348 0.177 -13.286 1.00 0.00 N flip ATOM 0 H ASN A 37 -4.698 2.163 -9.790 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.799 -0.387 -10.141 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.972 2.097 -11.347 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -5.150 1.162 -12.581 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.649 0.367 -14.004 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.240 -0.246 -13.542 1.00 0.00 H new ATOM 563 N GLU A 38 -2.775 -0.022 -11.272 1.00 0.00 N ATOM 564 CA GLU A 38 -1.632 -0.718 -11.844 1.00 0.00 C ATOM 565 C GLU A 38 -1.305 -1.997 -11.073 1.00 0.00 C ATOM 566 O GLU A 38 -1.214 -3.070 -11.668 1.00 0.00 O ATOM 567 CB GLU A 38 -0.424 0.206 -11.867 1.00 0.00 C ATOM 568 CG GLU A 38 0.562 -0.087 -12.987 1.00 0.00 C ATOM 569 CD GLU A 38 0.605 1.011 -14.030 1.00 0.00 C ATOM 570 OE1 GLU A 38 -0.471 1.393 -14.535 1.00 0.00 O ATOM 571 OE2 GLU A 38 1.715 1.492 -14.341 1.00 0.00 O ATOM 0 H GLU A 38 -2.563 0.907 -10.908 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.889 -1.006 -12.863 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.769 1.235 -11.962 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.095 0.131 -10.912 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.558 -0.220 -12.564 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.292 -1.028 -13.467 1.00 0.00 H new ATOM 578 N VAL A 39 -1.122 -1.894 -9.749 1.00 0.00 N ATOM 579 CA VAL A 39 -0.805 -3.081 -8.951 1.00 0.00 C ATOM 580 C VAL A 39 -1.784 -4.208 -9.252 1.00 0.00 C ATOM 581 O VAL A 39 -1.406 -5.376 -9.301 1.00 0.00 O ATOM 582 CB VAL A 39 -0.830 -2.800 -7.434 1.00 0.00 C ATOM 583 CG1 VAL A 39 -0.297 -3.999 -6.662 1.00 0.00 C ATOM 584 CG2 VAL A 39 -0.032 -1.555 -7.099 1.00 0.00 C ATOM 0 H VAL A 39 -1.186 -1.024 -9.221 1.00 0.00 H new ATOM 0 HA VAL A 39 0.208 -3.373 -9.230 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.865 -2.628 -7.138 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.322 -3.784 -5.594 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.917 -4.871 -6.871 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.729 -4.202 -6.968 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.066 -1.380 -6.024 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.003 -1.691 -7.412 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.459 -0.698 -7.620 1.00 0.00 H new ATOM 594 N LEU A 40 -3.043 -3.842 -9.466 1.00 0.00 N ATOM 595 CA LEU A 40 -4.079 -4.818 -9.777 1.00 0.00 C ATOM 596 C LEU A 40 -3.683 -5.647 -10.995 1.00 0.00 C ATOM 597 O LEU A 40 -3.768 -6.875 -10.978 1.00 0.00 O ATOM 598 CB LEU A 40 -5.414 -4.119 -10.040 1.00 0.00 C ATOM 599 CG LEU A 40 -5.745 -2.957 -9.101 1.00 0.00 C ATOM 600 CD1 LEU A 40 -7.067 -2.324 -9.499 1.00 0.00 C ATOM 601 CD2 LEU A 40 -5.789 -3.430 -7.654 1.00 0.00 C ATOM 0 H LEU A 40 -3.370 -2.877 -9.430 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.190 -5.480 -8.918 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.414 -3.747 -11.064 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.212 -4.859 -9.970 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.960 -2.206 -9.187 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.293 -1.498 -8.824 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.998 -1.950 -10.520 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.860 -3.069 -9.438 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.026 -2.588 -7.003 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.554 -4.199 -7.546 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.819 -3.842 -7.376 1.00 0.00 H new ATOM 613 N ALA A 41 -3.247 -4.963 -12.048 1.00 0.00 N ATOM 614 CA ALA A 41 -2.834 -5.635 -13.274 1.00 0.00 C ATOM 615 C ALA A 41 -1.617 -6.515 -13.033 1.00 0.00 C ATOM 616 O ALA A 41 -1.601 -7.690 -13.400 1.00 0.00 O ATOM 617 CB ALA A 41 -2.549 -4.618 -14.368 1.00 0.00 C ATOM 0 H ALA A 41 -3.171 -3.946 -12.077 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.653 -6.276 -13.600 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.242 -5.137 -15.276 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.449 -4.037 -14.569 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.751 -3.950 -14.045 1.00 0.00 H new ATOM 623 N ALA A 42 -0.605 -5.938 -12.409 1.00 0.00 N ATOM 624 CA ALA A 42 0.622 -6.666 -12.108 1.00 0.00 C ATOM 625 C ALA A 42 0.341 -7.830 -11.168 1.00 0.00 C ATOM 626 O ALA A 42 0.972 -8.883 -11.258 1.00 0.00 O ATOM 627 CB ALA A 42 1.667 -5.740 -11.499 1.00 0.00 C ATOM 0 H ALA A 42 -0.606 -4.966 -12.099 1.00 0.00 H new ATOM 0 HA ALA A 42 1.015 -7.062 -13.045 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.573 -6.306 -11.283 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.898 -4.940 -12.202 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.279 -5.311 -10.575 1.00 0.00 H new ATOM 633 N LEU A 43 -0.611 -7.630 -10.262 1.00 0.00 N ATOM 634 CA LEU A 43 -0.979 -8.659 -9.299 1.00 0.00 C ATOM 635 C LEU A 43 -1.454 -9.928 -9.995 1.00 0.00 C ATOM 636 O LEU A 43 -1.405 -11.017 -9.424 1.00 0.00 O ATOM 637 CB LEU A 43 -2.069 -8.143 -8.363 1.00 0.00 C ATOM 638 CG LEU A 43 -1.568 -7.289 -7.206 1.00 0.00 C ATOM 639 CD1 LEU A 43 -2.715 -6.514 -6.569 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.878 -8.169 -6.182 1.00 0.00 C ATOM 0 H LEU A 43 -1.142 -6.763 -10.176 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.089 -8.902 -8.718 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.781 -7.558 -8.945 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.613 -8.996 -7.957 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.850 -6.564 -7.588 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.333 -5.911 -5.745 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.172 -5.863 -7.314 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.461 -7.213 -6.192 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.521 -7.554 -5.356 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.583 -8.910 -5.805 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.033 -8.676 -6.648 1.00 0.00 H new ATOM 652 N ALA A 44 -1.918 -9.778 -11.226 1.00 0.00 N ATOM 653 CA ALA A 44 -2.410 -10.908 -12.003 1.00 0.00 C ATOM 654 C ALA A 44 -1.336 -11.978 -12.192 1.00 0.00 C ATOM 655 O ALA A 44 -1.644 -13.118 -12.538 1.00 0.00 O ATOM 656 CB ALA A 44 -2.921 -10.429 -13.352 1.00 0.00 C ATOM 0 H ALA A 44 -1.965 -8.882 -11.711 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.230 -11.362 -11.447 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.287 -11.281 -13.926 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.733 -9.717 -13.202 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.111 -9.945 -13.897 1.00 0.00 H new ATOM 662 N SER A 45 -0.076 -11.606 -11.978 1.00 0.00 N ATOM 663 CA SER A 45 1.025 -12.539 -12.144 1.00 0.00 C ATOM 664 C SER A 45 1.944 -12.578 -10.920 1.00 0.00 C ATOM 665 O SER A 45 2.956 -13.279 -10.926 1.00 0.00 O ATOM 666 CB SER A 45 1.832 -12.179 -13.390 1.00 0.00 C ATOM 667 OG SER A 45 3.053 -12.897 -13.437 1.00 0.00 O ATOM 0 H SER A 45 0.203 -10.668 -11.691 1.00 0.00 H new ATOM 0 HA SER A 45 0.593 -13.533 -12.258 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.245 -12.397 -14.282 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.037 -11.108 -13.397 1.00 0.00 H new ATOM 0 HG SER A 45 3.106 -13.504 -12.669 1.00 0.00 H new ATOM 673 N LYS A 46 1.599 -11.832 -9.872 1.00 0.00 N ATOM 674 CA LYS A 46 2.416 -11.812 -8.665 1.00 0.00 C ATOM 675 C LYS A 46 1.678 -11.147 -7.511 1.00 0.00 C ATOM 676 O LYS A 46 0.715 -10.415 -7.717 1.00 0.00 O ATOM 677 CB LYS A 46 3.732 -11.078 -8.927 1.00 0.00 C ATOM 678 CG LYS A 46 4.929 -11.702 -8.226 1.00 0.00 C ATOM 679 CD LYS A 46 5.667 -10.683 -7.372 1.00 0.00 C ATOM 680 CE LYS A 46 7.147 -11.016 -7.261 1.00 0.00 C ATOM 681 NZ LYS A 46 7.960 -10.267 -8.259 1.00 0.00 N ATOM 0 H LYS A 46 0.769 -11.241 -9.836 1.00 0.00 H new ATOM 0 HA LYS A 46 2.627 -12.845 -8.389 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.920 -11.059 -10.001 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.631 -10.042 -8.603 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.595 -12.529 -7.600 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.610 -12.118 -8.968 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.548 -9.690 -7.805 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.224 -10.652 -6.376 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.498 -10.780 -6.256 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.290 -12.087 -7.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.963 -10.521 -8.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.642 -10.511 -9.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.844 -9.245 -8.105 1.00 0.00 H new ATOM 695 N THR A 47 2.139 -11.404 -6.293 1.00 0.00 N ATOM 696 CA THR A 47 1.527 -10.821 -5.115 1.00 0.00 C ATOM 697 C THR A 47 2.586 -10.372 -4.106 1.00 0.00 C ATOM 698 O THR A 47 3.260 -11.203 -3.499 1.00 0.00 O ATOM 699 CB THR A 47 0.574 -11.830 -4.465 1.00 0.00 C ATOM 700 OG1 THR A 47 -0.477 -12.164 -5.352 1.00 0.00 O ATOM 701 CG2 THR A 47 -0.055 -11.335 -3.179 1.00 0.00 C ATOM 0 H THR A 47 2.934 -12.013 -6.100 1.00 0.00 H new ATOM 0 HA THR A 47 0.963 -9.942 -5.426 1.00 0.00 H new ATOM 0 HB THR A 47 1.194 -12.696 -4.232 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.075 -12.810 -4.922 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.716 -12.103 -2.778 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.727 -11.115 -2.453 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.629 -10.430 -3.379 1.00 0.00 H new ATOM 709 N PRO A 48 2.737 -9.051 -3.895 1.00 0.00 N ATOM 710 CA PRO A 48 3.709 -8.523 -2.937 1.00 0.00 C ATOM 711 C PRO A 48 3.274 -8.795 -1.500 1.00 0.00 C ATOM 712 O PRO A 48 2.096 -9.033 -1.235 1.00 0.00 O ATOM 713 CB PRO A 48 3.732 -7.022 -3.229 1.00 0.00 C ATOM 714 CG PRO A 48 2.412 -6.724 -3.855 1.00 0.00 C ATOM 715 CD PRO A 48 1.976 -7.979 -4.565 1.00 0.00 C ATOM 0 HA PRO A 48 4.690 -8.987 -3.038 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.873 -6.445 -2.315 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.552 -6.764 -3.899 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.682 -6.434 -3.099 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.495 -5.892 -4.555 1.00 0.00 H new ATOM 0 HD2 PRO A 48 0.901 -8.136 -4.474 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.203 -7.934 -5.630 1.00 0.00 H new ATOM 723 N ASP A 49 4.228 -8.772 -0.576 1.00 0.00 N ATOM 724 CA ASP A 49 3.933 -9.033 0.828 1.00 0.00 C ATOM 725 C ASP A 49 3.221 -7.849 1.479 1.00 0.00 C ATOM 726 O ASP A 49 2.522 -8.014 2.476 1.00 0.00 O ATOM 727 CB ASP A 49 5.218 -9.355 1.590 1.00 0.00 C ATOM 728 CG ASP A 49 5.685 -10.780 1.362 1.00 0.00 C ATOM 729 OD1 ASP A 49 6.270 -11.050 0.293 1.00 0.00 O ATOM 730 OD2 ASP A 49 5.466 -11.627 2.254 1.00 0.00 O ATOM 0 H ASP A 49 5.209 -8.576 -0.773 1.00 0.00 H new ATOM 0 HA ASP A 49 3.265 -9.893 0.872 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.003 -8.665 1.281 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.055 -9.195 2.656 1.00 0.00 H new ATOM 735 N VAL A 50 3.410 -6.657 0.918 1.00 0.00 N ATOM 736 CA VAL A 50 2.788 -5.447 1.452 1.00 0.00 C ATOM 737 C VAL A 50 2.433 -4.480 0.320 1.00 0.00 C ATOM 738 O VAL A 50 2.892 -4.649 -0.809 1.00 0.00 O ATOM 739 CB VAL A 50 3.726 -4.748 2.461 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.056 -4.430 1.807 1.00 0.00 C ATOM 741 CG2 VAL A 50 3.090 -3.488 3.031 1.00 0.00 C ATOM 0 H VAL A 50 3.989 -6.503 0.093 1.00 0.00 H new ATOM 0 HA VAL A 50 1.874 -5.740 1.968 1.00 0.00 H new ATOM 0 HB VAL A 50 3.899 -5.432 3.292 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.708 -3.938 2.529 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.524 -5.354 1.466 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.894 -3.770 0.955 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.777 -3.021 3.737 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.873 -2.791 2.221 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.164 -3.748 3.543 1.00 0.00 H new ATOM 751 N LEU A 51 1.618 -3.469 0.621 1.00 0.00 N ATOM 752 CA LEU A 51 1.215 -2.494 -0.388 1.00 0.00 C ATOM 753 C LEU A 51 0.878 -1.145 0.243 1.00 0.00 C ATOM 754 O LEU A 51 0.226 -1.078 1.283 1.00 0.00 O ATOM 755 CB LEU A 51 0.012 -3.009 -1.177 1.00 0.00 C ATOM 756 CG LEU A 51 -0.078 -2.500 -2.617 1.00 0.00 C ATOM 757 CD1 LEU A 51 1.101 -3.007 -3.439 1.00 0.00 C ATOM 758 CD2 LEU A 51 -1.396 -2.921 -3.251 1.00 0.00 C ATOM 0 H LEU A 51 1.227 -3.306 1.549 1.00 0.00 H new ATOM 0 HA LEU A 51 2.058 -2.354 -1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.046 -4.098 -1.193 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.899 -2.726 -0.649 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.039 -1.411 -2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.020 -2.635 -4.460 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.032 -2.653 -2.997 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.096 -4.097 -3.449 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.442 -2.550 -4.275 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.466 -4.009 -3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.225 -2.506 -2.677 1.00 0.00 H new ATOM 770 N LEU A 52 1.338 -0.074 -0.399 1.00 0.00 N ATOM 771 CA LEU A 52 1.107 1.284 0.086 1.00 0.00 C ATOM 772 C LEU A 52 0.378 2.118 -0.968 1.00 0.00 C ATOM 773 O LEU A 52 0.885 2.314 -2.071 1.00 0.00 O ATOM 774 CB LEU A 52 2.447 1.942 0.420 1.00 0.00 C ATOM 775 CG LEU A 52 2.455 2.876 1.629 1.00 0.00 C ATOM 776 CD1 LEU A 52 3.866 3.394 1.877 1.00 0.00 C ATOM 777 CD2 LEU A 52 1.490 4.032 1.420 1.00 0.00 C ATOM 0 H LEU A 52 1.877 -0.122 -1.263 1.00 0.00 H new ATOM 0 HA LEU A 52 0.486 1.233 0.980 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.182 1.156 0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.779 2.506 -0.452 1.00 0.00 H new ATOM 0 HG LEU A 52 2.128 2.317 2.505 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.863 4.059 2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.534 2.554 2.068 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.213 3.940 1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.511 4.685 2.292 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.785 4.597 0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.481 3.643 1.282 1.00 0.00 H new ATOM 789 N SER A 53 -0.813 2.604 -0.625 1.00 0.00 N ATOM 790 CA SER A 53 -1.603 3.410 -1.554 1.00 0.00 C ATOM 791 C SER A 53 -1.773 4.843 -1.045 1.00 0.00 C ATOM 792 O SER A 53 -2.006 5.069 0.144 1.00 0.00 O ATOM 793 CB SER A 53 -2.974 2.763 -1.781 1.00 0.00 C ATOM 794 OG SER A 53 -3.072 2.189 -3.077 1.00 0.00 O ATOM 0 H SER A 53 -1.251 2.455 0.284 1.00 0.00 H new ATOM 0 HA SER A 53 -1.066 3.453 -2.501 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.143 1.994 -1.028 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.756 3.512 -1.654 1.00 0.00 H new ATOM 0 HG SER A 53 -3.957 1.783 -3.189 1.00 0.00 H new ATOM 800 N ASP A 54 -1.651 5.807 -1.953 1.00 0.00 N ATOM 801 CA ASP A 54 -1.787 7.220 -1.599 1.00 0.00 C ATOM 802 C ASP A 54 -3.251 7.658 -1.536 1.00 0.00 C ATOM 803 O ASP A 54 -3.541 8.801 -1.186 1.00 0.00 O ATOM 804 CB ASP A 54 -1.030 8.097 -2.604 1.00 0.00 C ATOM 805 CG ASP A 54 -1.682 8.127 -3.977 1.00 0.00 C ATOM 806 OD1 ASP A 54 -2.912 8.329 -4.051 1.00 0.00 O ATOM 807 OD2 ASP A 54 -0.961 7.951 -4.980 1.00 0.00 O ATOM 0 H ASP A 54 -1.458 5.637 -2.940 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.357 7.345 -0.605 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.967 9.114 -2.216 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.008 7.729 -2.701 1.00 0.00 H new ATOM 812 N ILE A 55 -4.165 6.750 -1.883 1.00 0.00 N ATOM 813 CA ILE A 55 -5.599 7.043 -1.872 1.00 0.00 C ATOM 814 C ILE A 55 -5.925 8.338 -2.628 1.00 0.00 C ATOM 815 O ILE A 55 -5.030 9.091 -3.008 1.00 0.00 O ATOM 816 CB ILE A 55 -6.151 7.106 -0.427 1.00 0.00 C ATOM 817 CG1 ILE A 55 -7.674 7.071 -0.438 1.00 0.00 C ATOM 818 CG2 ILE A 55 -5.652 8.335 0.317 1.00 0.00 C ATOM 819 CD1 ILE A 55 -8.289 6.450 0.796 1.00 0.00 C ATOM 0 H ILE A 55 -3.935 5.801 -2.177 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.092 6.222 -2.392 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.780 6.230 0.104 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.049 8.089 -0.544 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.007 6.516 -1.315 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.063 8.341 1.327 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.563 8.312 0.368 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.972 9.234 -0.210 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.375 6.464 0.708 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.947 5.420 0.894 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.989 7.017 1.677 1.00 0.00 H new ATOM 831 N ARG A 56 -7.215 8.579 -2.864 1.00 0.00 N ATOM 832 CA ARG A 56 -7.660 9.762 -3.588 1.00 0.00 C ATOM 833 C ARG A 56 -7.221 9.698 -5.046 1.00 0.00 C ATOM 834 O ARG A 56 -6.250 10.343 -5.443 1.00 0.00 O ATOM 835 CB ARG A 56 -7.122 11.034 -2.928 1.00 0.00 C ATOM 836 CG ARG A 56 -8.003 12.252 -3.155 1.00 0.00 C ATOM 837 CD ARG A 56 -7.223 13.544 -2.983 1.00 0.00 C ATOM 838 NE ARG A 56 -7.799 14.635 -3.764 1.00 0.00 N ATOM 839 CZ ARG A 56 -8.887 15.311 -3.404 1.00 0.00 C ATOM 840 NH1 ARG A 56 -9.506 15.026 -2.264 1.00 0.00 N ATOM 841 NH2 ARG A 56 -9.357 16.276 -4.182 1.00 0.00 N ATOM 0 H ARG A 56 -7.971 7.965 -2.561 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.749 9.789 -3.555 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.020 10.863 -1.856 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.124 11.240 -3.314 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.428 12.213 -4.158 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.838 12.234 -2.454 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.207 13.821 -1.929 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.188 13.387 -3.287 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.340 14.894 -4.637 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.148 14.286 -1.660 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.340 15.547 -1.992 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.884 16.501 -5.058 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.191 16.794 -3.905 1.00 0.00 H new ATOM 855 N MET A 57 -7.941 8.908 -5.840 1.00 0.00 N ATOM 856 CA MET A 57 -7.623 8.757 -7.258 1.00 0.00 C ATOM 857 C MET A 57 -8.793 8.152 -8.051 1.00 0.00 C ATOM 858 O MET A 57 -9.312 8.785 -8.970 1.00 0.00 O ATOM 859 CB MET A 57 -6.350 7.915 -7.425 1.00 0.00 C ATOM 860 CG MET A 57 -5.805 7.908 -8.842 1.00 0.00 C ATOM 861 SD MET A 57 -4.873 9.401 -9.231 1.00 0.00 S ATOM 862 CE MET A 57 -6.108 10.339 -10.123 1.00 0.00 C ATOM 0 H MET A 57 -8.745 8.365 -5.527 1.00 0.00 H new ATOM 0 HA MET A 57 -7.446 9.751 -7.668 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.582 8.296 -6.752 1.00 0.00 H new ATOM 0 HB3 MET A 57 -6.561 6.890 -7.121 1.00 0.00 H new ATOM 0 HG2 MET A 57 -5.163 7.038 -8.976 1.00 0.00 H new ATOM 0 HG3 MET A 57 -6.632 7.806 -9.545 1.00 0.00 H new ATOM 0 HE1 MET A 57 -5.892 10.302 -11.191 1.00 0.00 H new ATOM 0 HE2 MET A 57 -7.094 9.912 -9.937 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.092 11.375 -9.785 1.00 0.00 H new ATOM 872 N PRO A 58 -9.223 6.915 -7.718 1.00 0.00 N ATOM 873 CA PRO A 58 -10.334 6.233 -8.418 1.00 0.00 C ATOM 874 C PRO A 58 -11.705 6.829 -8.108 1.00 0.00 C ATOM 875 O PRO A 58 -11.813 7.931 -7.572 1.00 0.00 O ATOM 876 CB PRO A 58 -10.260 4.814 -7.860 1.00 0.00 C ATOM 877 CG PRO A 58 -9.725 5.011 -6.489 1.00 0.00 C ATOM 878 CD PRO A 58 -8.669 6.065 -6.647 1.00 0.00 C ATOM 0 HA PRO A 58 -10.231 6.314 -9.500 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.240 4.337 -7.844 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.606 4.180 -8.459 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.506 5.332 -5.800 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.307 4.087 -6.089 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -8.513 6.625 -5.725 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -7.707 5.636 -6.926 1.00 0.00 H new ATOM 886 N GLY A 59 -12.753 6.073 -8.445 1.00 0.00 N ATOM 887 CA GLY A 59 -14.111 6.517 -8.193 1.00 0.00 C ATOM 888 C GLY A 59 -14.391 6.696 -6.714 1.00 0.00 C ATOM 889 O GLY A 59 -14.616 7.815 -6.255 1.00 0.00 O ATOM 0 H GLY A 59 -12.680 5.158 -8.890 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.285 7.460 -8.710 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -14.811 5.792 -8.608 1.00 0.00 H new ATOM 893 N MET A 60 -14.364 5.594 -5.964 1.00 0.00 N ATOM 894 CA MET A 60 -14.600 5.644 -4.521 1.00 0.00 C ATOM 895 C MET A 60 -13.424 6.318 -3.823 1.00 0.00 C ATOM 896 O MET A 60 -12.745 5.711 -2.986 1.00 0.00 O ATOM 897 CB MET A 60 -14.804 4.233 -3.960 1.00 0.00 C ATOM 898 CG MET A 60 -15.546 4.209 -2.632 1.00 0.00 C ATOM 899 SD MET A 60 -16.565 2.736 -2.433 1.00 0.00 S ATOM 900 CE MET A 60 -17.595 3.219 -1.049 1.00 0.00 C ATOM 0 H MET A 60 -14.182 4.659 -6.330 1.00 0.00 H new ATOM 0 HA MET A 60 -15.504 6.224 -4.337 1.00 0.00 H new ATOM 0 HB2 MET A 60 -15.357 3.638 -4.687 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.832 3.757 -3.832 1.00 0.00 H new ATOM 0 HG2 MET A 60 -14.825 4.260 -1.816 1.00 0.00 H new ATOM 0 HG3 MET A 60 -16.176 5.095 -2.556 1.00 0.00 H new ATOM 0 HE1 MET A 60 -18.537 2.671 -1.088 1.00 0.00 H new ATOM 0 HE2 MET A 60 -17.081 2.991 -0.116 1.00 0.00 H new ATOM 0 HE3 MET A 60 -17.795 4.289 -1.101 1.00 0.00 H new ATOM 910 N ASP A 61 -13.180 7.573 -4.192 1.00 0.00 N ATOM 911 CA ASP A 61 -12.083 8.347 -3.636 1.00 0.00 C ATOM 912 C ASP A 61 -10.765 7.633 -3.895 1.00 0.00 C ATOM 913 O ASP A 61 -10.058 7.945 -4.849 1.00 0.00 O ATOM 914 CB ASP A 61 -12.294 8.573 -2.139 1.00 0.00 C ATOM 915 CG ASP A 61 -12.685 10.003 -1.820 1.00 0.00 C ATOM 916 OD1 ASP A 61 -11.873 10.913 -2.092 1.00 0.00 O ATOM 917 OD2 ASP A 61 -13.799 10.214 -1.301 1.00 0.00 O ATOM 0 H ASP A 61 -13.737 8.077 -4.882 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.053 9.322 -4.123 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.070 7.898 -1.778 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.378 8.321 -1.604 1.00 0.00 H new ATOM 922 N GLY A 62 -10.456 6.660 -3.053 1.00 0.00 N ATOM 923 CA GLY A 62 -9.237 5.895 -3.212 1.00 0.00 C ATOM 924 C GLY A 62 -9.402 4.449 -2.806 1.00 0.00 C ATOM 925 O GLY A 62 -8.731 3.567 -3.342 1.00 0.00 O ATOM 0 H GLY A 62 -11.031 6.385 -2.257 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.916 5.942 -4.253 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.447 6.349 -2.614 1.00 0.00 H new ATOM 929 N LEU A 63 -10.309 4.197 -1.868 1.00 0.00 N ATOM 930 CA LEU A 63 -10.565 2.843 -1.413 1.00 0.00 C ATOM 931 C LEU A 63 -11.024 1.979 -2.576 1.00 0.00 C ATOM 932 O LEU A 63 -10.942 0.753 -2.520 1.00 0.00 O ATOM 933 CB LEU A 63 -11.592 2.834 -0.280 1.00 0.00 C ATOM 934 CG LEU A 63 -11.244 3.757 0.887 1.00 0.00 C ATOM 935 CD1 LEU A 63 -11.840 5.134 0.669 1.00 0.00 C ATOM 936 CD2 LEU A 63 -11.704 3.170 2.212 1.00 0.00 C ATOM 0 H LEU A 63 -10.875 4.912 -1.412 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.638 2.426 -1.020 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.563 3.125 -0.682 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.694 1.816 0.095 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.159 3.853 0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.583 5.779 1.509 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.442 5.561 -0.251 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.924 5.053 0.592 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.442 3.850 3.022 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.785 3.029 2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.216 2.209 2.373 1.00 0.00 H new ATOM 948 N ALA A 64 -11.484 2.624 -3.653 1.00 0.00 N ATOM 949 CA ALA A 64 -11.912 1.890 -4.831 1.00 0.00 C ATOM 950 C ALA A 64 -10.783 0.992 -5.313 1.00 0.00 C ATOM 951 O ALA A 64 -11.011 -0.137 -5.745 1.00 0.00 O ATOM 952 CB ALA A 64 -12.341 2.844 -5.930 1.00 0.00 C ATOM 0 H ALA A 64 -11.566 3.638 -3.727 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.770 1.271 -4.569 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.658 2.274 -6.803 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -13.170 3.457 -5.576 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.504 3.487 -6.201 1.00 0.00 H new ATOM 958 N LEU A 65 -9.552 1.496 -5.203 1.00 0.00 N ATOM 959 CA LEU A 65 -8.382 0.725 -5.596 1.00 0.00 C ATOM 960 C LEU A 65 -8.312 -0.536 -4.751 1.00 0.00 C ATOM 961 O LEU A 65 -8.167 -1.639 -5.272 1.00 0.00 O ATOM 962 CB LEU A 65 -7.102 1.546 -5.420 1.00 0.00 C ATOM 963 CG LEU A 65 -6.992 2.782 -6.314 1.00 0.00 C ATOM 964 CD1 LEU A 65 -5.970 3.759 -5.754 1.00 0.00 C ATOM 965 CD2 LEU A 65 -6.639 2.385 -7.741 1.00 0.00 C ATOM 0 H LEU A 65 -9.345 2.429 -4.847 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.470 0.460 -6.650 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.033 1.863 -4.379 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.246 0.900 -5.614 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.962 3.279 -6.332 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.906 4.632 -6.404 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.275 4.072 -4.755 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.995 3.275 -5.700 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.566 3.279 -8.360 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.684 1.860 -7.747 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.415 1.731 -8.139 1.00 0.00 H new ATOM 977 N LEU A 66 -8.443 -0.357 -3.435 1.00 0.00 N ATOM 978 CA LEU A 66 -8.418 -1.476 -2.498 1.00 0.00 C ATOM 979 C LEU A 66 -9.397 -2.547 -2.943 1.00 0.00 C ATOM 980 O LEU A 66 -9.045 -3.720 -3.062 1.00 0.00 O ATOM 981 CB LEU A 66 -8.782 -1.005 -1.087 1.00 0.00 C ATOM 982 CG LEU A 66 -7.633 -0.403 -0.279 1.00 0.00 C ATOM 983 CD1 LEU A 66 -6.969 0.727 -1.050 1.00 0.00 C ATOM 984 CD2 LEU A 66 -8.138 0.094 1.067 1.00 0.00 C ATOM 0 H LEU A 66 -8.568 0.555 -2.996 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.409 -1.889 -2.483 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.577 -0.263 -1.164 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.188 -1.852 -0.533 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.889 -1.180 -0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.154 1.142 -0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.575 0.343 -1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.702 1.507 -1.255 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.309 0.520 1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.901 0.857 0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.567 -0.739 1.625 1.00 0.00 H new ATOM 996 N LYS A 67 -10.631 -2.126 -3.195 1.00 0.00 N ATOM 997 CA LYS A 67 -11.678 -3.033 -3.642 1.00 0.00 C ATOM 998 C LYS A 67 -11.157 -3.971 -4.731 1.00 0.00 C ATOM 999 O LYS A 67 -11.331 -5.190 -4.663 1.00 0.00 O ATOM 1000 CB LYS A 67 -12.875 -2.234 -4.160 1.00 0.00 C ATOM 1001 CG LYS A 67 -13.494 -1.317 -3.116 1.00 0.00 C ATOM 1002 CD LYS A 67 -14.461 -0.327 -3.746 1.00 0.00 C ATOM 1003 CE LYS A 67 -15.896 -0.620 -3.344 1.00 0.00 C ATOM 1004 NZ LYS A 67 -16.414 -1.847 -4.006 1.00 0.00 N ATOM 0 H LYS A 67 -10.931 -1.156 -3.096 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.995 -3.640 -2.794 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.559 -1.636 -5.015 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.636 -2.927 -4.519 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.018 -1.915 -2.370 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.706 -0.775 -2.593 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.196 0.686 -3.442 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -14.370 -0.368 -4.831 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.954 -0.739 -2.262 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -16.528 0.229 -3.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.396 -2.014 -3.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.382 -1.724 -5.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.826 -2.662 -3.736 1.00 0.00 H new ATOM 1018 N GLN A 68 -10.509 -3.389 -5.733 1.00 0.00 N ATOM 1019 CA GLN A 68 -9.956 -4.161 -6.837 1.00 0.00 C ATOM 1020 C GLN A 68 -8.787 -5.030 -6.378 1.00 0.00 C ATOM 1021 O GLN A 68 -8.500 -6.063 -6.984 1.00 0.00 O ATOM 1022 CB GLN A 68 -9.493 -3.230 -7.953 1.00 0.00 C ATOM 1023 CG GLN A 68 -10.525 -2.193 -8.360 1.00 0.00 C ATOM 1024 CD GLN A 68 -11.707 -2.805 -9.087 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -12.869 -2.785 -8.447 1.00 0.00 O flip ATOM 1026 NE2 GLN A 68 -11.574 -3.292 -10.210 1.00 0.00 N flip ATOM 0 H GLN A 68 -10.354 -2.383 -5.803 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.744 -4.815 -7.211 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.586 -2.718 -7.632 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.230 -3.828 -8.826 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.880 -1.670 -7.472 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -10.054 -1.448 -9.001 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.661 -3.285 -10.664 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.377 -3.702 -10.686 1.00 0.00 H new ATOM 1035 N ILE A 69 -8.111 -4.603 -5.316 1.00 0.00 N ATOM 1036 CA ILE A 69 -6.970 -5.343 -4.787 1.00 0.00 C ATOM 1037 C ILE A 69 -7.395 -6.713 -4.272 1.00 0.00 C ATOM 1038 O ILE A 69 -6.834 -7.738 -4.659 1.00 0.00 O ATOM 1039 CB ILE A 69 -6.262 -4.555 -3.654 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -5.767 -3.205 -4.175 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -5.099 -5.348 -3.059 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -5.073 -2.371 -3.121 1.00 0.00 C ATOM 0 H ILE A 69 -8.333 -3.749 -4.805 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.267 -5.478 -5.609 1.00 0.00 H new ATOM 0 HB ILE A 69 -6.992 -4.387 -2.862 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -5.080 -3.374 -5.004 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.614 -2.645 -4.572 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.627 -4.764 -2.269 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.472 -6.285 -2.645 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.367 -5.561 -3.838 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.748 -1.427 -3.559 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.764 -2.172 -2.302 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.206 -2.912 -2.741 1.00 0.00 H new ATOM 1054 N LYS A 70 -8.375 -6.716 -3.383 1.00 0.00 N ATOM 1055 CA LYS A 70 -8.872 -7.955 -2.784 1.00 0.00 C ATOM 1056 C LYS A 70 -9.470 -8.891 -3.818 1.00 0.00 C ATOM 1057 O LYS A 70 -9.457 -10.109 -3.644 1.00 0.00 O ATOM 1058 CB LYS A 70 -9.888 -7.651 -1.685 1.00 0.00 C ATOM 1059 CG LYS A 70 -11.119 -6.903 -2.166 1.00 0.00 C ATOM 1060 CD LYS A 70 -11.237 -5.550 -1.482 1.00 0.00 C ATOM 1061 CE LYS A 70 -12.688 -5.175 -1.224 1.00 0.00 C ATOM 1062 NZ LYS A 70 -12.802 -3.915 -0.436 1.00 0.00 N ATOM 0 H LYS A 70 -8.847 -5.873 -3.056 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.016 -8.465 -2.343 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.202 -8.589 -1.227 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.400 -7.064 -0.907 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.066 -6.765 -3.246 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.011 -7.496 -1.964 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -10.693 -5.571 -0.538 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.769 -4.786 -2.103 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.208 -5.057 -2.175 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.183 -5.985 -0.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.690 -3.432 -0.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.798 -4.139 0.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.998 -3.294 -0.657 1.00 0.00 H new ATOM 1076 N GLN A 71 -9.990 -8.328 -4.892 1.00 0.00 N ATOM 1077 CA GLN A 71 -10.581 -9.140 -5.944 1.00 0.00 C ATOM 1078 C GLN A 71 -9.529 -10.019 -6.620 1.00 0.00 C ATOM 1079 O GLN A 71 -9.860 -11.033 -7.235 1.00 0.00 O ATOM 1080 CB GLN A 71 -11.272 -8.254 -6.978 1.00 0.00 C ATOM 1081 CG GLN A 71 -12.764 -8.096 -6.737 1.00 0.00 C ATOM 1082 CD GLN A 71 -13.326 -6.840 -7.372 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -14.127 -6.908 -8.304 1.00 0.00 O ATOM 1084 NE2 GLN A 71 -12.910 -5.685 -6.867 1.00 0.00 N ATOM 0 H GLN A 71 -10.017 -7.322 -5.060 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.324 -9.792 -5.485 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.804 -7.269 -6.972 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.115 -8.676 -7.971 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -13.287 -8.966 -7.135 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.955 -8.073 -5.664 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.245 -5.677 -6.094 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.256 -4.806 -7.252 1.00 0.00 H new ATOM 1093 N ARG A 72 -8.265 -9.617 -6.520 1.00 0.00 N ATOM 1094 CA ARG A 72 -7.177 -10.369 -7.145 1.00 0.00 C ATOM 1095 C ARG A 72 -6.139 -10.874 -6.134 1.00 0.00 C ATOM 1096 O ARG A 72 -5.281 -11.685 -6.483 1.00 0.00 O ATOM 1097 CB ARG A 72 -6.489 -9.505 -8.208 1.00 0.00 C ATOM 1098 CG ARG A 72 -6.550 -10.102 -9.607 1.00 0.00 C ATOM 1099 CD ARG A 72 -6.601 -9.021 -10.677 1.00 0.00 C ATOM 1100 NE ARG A 72 -7.334 -9.462 -11.864 1.00 0.00 N ATOM 1101 CZ ARG A 72 -6.925 -10.440 -12.670 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -5.783 -11.072 -12.435 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -7.660 -10.782 -13.720 1.00 0.00 N ATOM 0 H ARG A 72 -7.968 -8.781 -6.016 1.00 0.00 H new ATOM 0 HA ARG A 72 -7.625 -11.249 -7.606 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.955 -8.520 -8.221 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.445 -9.361 -7.928 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.678 -10.736 -9.771 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.429 -10.741 -9.692 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.075 -8.128 -10.269 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.586 -8.742 -10.960 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.211 -8.992 -12.088 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.211 -10.810 -11.632 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.477 -11.820 -13.057 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.537 -10.296 -13.909 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.348 -11.531 -14.339 1.00 0.00 H new ATOM 1117 N HIS A 73 -6.197 -10.392 -4.893 1.00 0.00 N ATOM 1118 CA HIS A 73 -5.230 -10.814 -3.876 1.00 0.00 C ATOM 1119 C HIS A 73 -5.864 -11.702 -2.804 1.00 0.00 C ATOM 1120 O HIS A 73 -7.080 -11.687 -2.609 1.00 0.00 O ATOM 1121 CB HIS A 73 -4.594 -9.587 -3.208 1.00 0.00 C ATOM 1122 CG HIS A 73 -5.386 -9.046 -2.049 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -5.577 -9.741 -0.878 1.00 0.00 N ATOM 1124 CD2 HIS A 73 -6.035 -7.878 -1.890 1.00 0.00 C ATOM 1125 CE1 HIS A 73 -6.310 -9.020 -0.050 1.00 0.00 C ATOM 1126 NE2 HIS A 73 -6.598 -7.882 -0.641 1.00 0.00 N ATOM 0 H HIS A 73 -6.892 -9.719 -4.569 1.00 0.00 H new ATOM 0 HA HIS A 73 -4.466 -11.400 -4.387 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -3.595 -9.851 -2.861 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.475 -8.800 -3.953 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.100 -7.081 -2.616 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -6.620 -9.314 0.942 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -7.150 -7.126 -0.236 1.00 0.00 H new ATOM 1135 N PRO A 74 -5.029 -12.465 -2.066 1.00 0.00 N ATOM 1136 CA PRO A 74 -5.489 -13.328 -0.988 1.00 0.00 C ATOM 1137 C PRO A 74 -5.559 -12.573 0.341 1.00 0.00 C ATOM 1138 O PRO A 74 -6.628 -12.455 0.938 1.00 0.00 O ATOM 1139 CB PRO A 74 -4.418 -14.417 -0.941 1.00 0.00 C ATOM 1140 CG PRO A 74 -3.166 -13.777 -1.461 1.00 0.00 C ATOM 1141 CD PRO A 74 -3.565 -12.521 -2.209 1.00 0.00 C ATOM 0 HA PRO A 74 -6.495 -13.715 -1.152 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -4.277 -14.784 0.076 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.703 -15.273 -1.552 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.491 -13.535 -0.640 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.633 -14.461 -2.121 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.089 -11.637 -1.785 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.269 -12.570 -3.257 1.00 0.00 H new ATOM 1149 N MET A 75 -4.413 -12.041 0.782 1.00 0.00 N ATOM 1150 CA MET A 75 -4.341 -11.274 2.024 1.00 0.00 C ATOM 1151 C MET A 75 -3.217 -10.231 1.959 1.00 0.00 C ATOM 1152 O MET A 75 -2.369 -10.163 2.848 1.00 0.00 O ATOM 1153 CB MET A 75 -4.110 -12.208 3.216 1.00 0.00 C ATOM 1154 CG MET A 75 -5.355 -12.960 3.659 1.00 0.00 C ATOM 1155 SD MET A 75 -6.346 -12.023 4.839 1.00 0.00 S ATOM 1156 CE MET A 75 -7.957 -12.765 4.592 1.00 0.00 C ATOM 0 H MET A 75 -3.522 -12.130 0.293 1.00 0.00 H new ATOM 0 HA MET A 75 -5.291 -10.756 2.154 1.00 0.00 H new ATOM 0 HB2 MET A 75 -3.335 -12.929 2.955 1.00 0.00 H new ATOM 0 HB3 MET A 75 -3.732 -11.624 4.055 1.00 0.00 H new ATOM 0 HG2 MET A 75 -5.963 -13.196 2.786 1.00 0.00 H new ATOM 0 HG3 MET A 75 -5.062 -13.909 4.109 1.00 0.00 H new ATOM 0 HE1 MET A 75 -8.682 -12.290 5.254 1.00 0.00 H new ATOM 0 HE2 MET A 75 -8.266 -12.627 3.556 1.00 0.00 H new ATOM 0 HE3 MET A 75 -7.905 -13.831 4.816 1.00 0.00 H new ATOM 1166 N LEU A 76 -3.212 -9.429 0.891 1.00 0.00 N ATOM 1167 CA LEU A 76 -2.194 -8.407 0.691 1.00 0.00 C ATOM 1168 C LEU A 76 -2.417 -7.175 1.566 1.00 0.00 C ATOM 1169 O LEU A 76 -3.465 -6.536 1.490 1.00 0.00 O ATOM 1170 CB LEU A 76 -2.185 -7.981 -0.773 1.00 0.00 C ATOM 1171 CG LEU A 76 -0.807 -7.929 -1.416 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -0.940 -7.826 -2.924 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -0.003 -6.763 -0.860 1.00 0.00 C ATOM 0 H LEU A 76 -3.910 -9.473 0.149 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.237 -8.845 0.976 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.809 -8.671 -1.341 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.645 -6.996 -0.853 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.272 -8.849 -1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.052 -7.789 -3.375 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.479 -8.695 -3.302 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.489 -6.920 -3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.980 -6.741 -1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.526 -5.829 -1.067 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.114 -6.882 0.217 1.00 0.00 H new ATOM 1185 N PRO A 77 -1.422 -6.801 2.392 1.00 0.00 N ATOM 1186 CA PRO A 77 -1.522 -5.620 3.246 1.00 0.00 C ATOM 1187 C PRO A 77 -1.610 -4.337 2.427 1.00 0.00 C ATOM 1188 O PRO A 77 -0.899 -4.168 1.435 1.00 0.00 O ATOM 1189 CB PRO A 77 -0.229 -5.637 4.070 1.00 0.00 C ATOM 1190 CG PRO A 77 0.328 -7.008 3.902 1.00 0.00 C ATOM 1191 CD PRO A 77 -0.125 -7.476 2.549 1.00 0.00 C ATOM 0 HA PRO A 77 -2.421 -5.643 3.861 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.473 -4.882 3.716 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.429 -5.420 5.119 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.416 -6.998 3.967 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.032 -7.674 4.686 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.577 -7.191 1.766 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.225 -8.561 2.508 1.00 0.00 H new ATOM 1199 N VAL A 78 -2.481 -3.438 2.854 1.00 0.00 N ATOM 1200 CA VAL A 78 -2.674 -2.160 2.178 1.00 0.00 C ATOM 1201 C VAL A 78 -2.515 -1.009 3.160 1.00 0.00 C ATOM 1202 O VAL A 78 -3.252 -0.908 4.143 1.00 0.00 O ATOM 1203 CB VAL A 78 -4.061 -2.051 1.513 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -4.064 -0.941 0.472 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -4.479 -3.374 0.888 1.00 0.00 C ATOM 0 H VAL A 78 -3.073 -3.569 3.674 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.913 -2.104 1.400 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.788 -1.805 2.287 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.050 -0.877 0.012 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.825 0.008 0.952 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.319 -1.158 -0.294 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.461 -3.265 0.427 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.752 -3.664 0.129 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.524 -4.143 1.659 1.00 0.00 H new ATOM 1215 N ILE A 79 -1.549 -0.146 2.887 1.00 0.00 N ATOM 1216 CA ILE A 79 -1.287 0.997 3.746 1.00 0.00 C ATOM 1217 C ILE A 79 -1.688 2.293 3.060 1.00 0.00 C ATOM 1218 O ILE A 79 -1.063 2.713 2.087 1.00 0.00 O ATOM 1219 CB ILE A 79 0.195 1.063 4.140 1.00 0.00 C ATOM 1220 CG1 ILE A 79 0.697 -0.322 4.556 1.00 0.00 C ATOM 1221 CG2 ILE A 79 0.397 2.066 5.263 1.00 0.00 C ATOM 1222 CD1 ILE A 79 1.816 -0.846 3.686 1.00 0.00 C ATOM 0 H ILE A 79 -0.933 -0.216 2.077 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.886 0.872 4.648 1.00 0.00 H new ATOM 0 HB ILE A 79 0.773 1.392 3.276 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.041 -0.279 5.589 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.135 -1.025 4.526 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.453 2.103 5.533 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.072 3.053 4.932 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.189 1.763 6.131 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.121 -1.831 4.039 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.470 -0.921 2.655 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.665 -0.164 3.735 1.00 0.00 H new ATOM 1234 N ILE A 80 -2.749 2.911 3.563 1.00 0.00 N ATOM 1235 CA ILE A 80 -3.254 4.149 2.986 1.00 0.00 C ATOM 1236 C ILE A 80 -2.816 5.379 3.779 1.00 0.00 C ATOM 1237 O ILE A 80 -2.625 5.318 4.994 1.00 0.00 O ATOM 1238 CB ILE A 80 -4.788 4.108 2.873 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -5.209 2.816 2.175 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -5.288 5.305 2.093 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -4.585 2.663 0.807 1.00 0.00 C ATOM 0 H ILE A 80 -3.276 2.575 4.369 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.823 4.234 1.988 1.00 0.00 H new ATOM 0 HB ILE A 80 -5.223 4.139 3.872 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.929 1.965 2.795 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.295 2.797 2.079 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.375 5.264 2.020 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.993 6.221 2.604 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.857 5.293 1.092 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.919 1.728 0.357 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.886 3.498 0.174 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.499 2.653 0.901 1.00 0.00 H new ATOM 1253 N MET A 81 -2.639 6.492 3.066 1.00 0.00 N ATOM 1254 CA MET A 81 -2.203 7.746 3.675 1.00 0.00 C ATOM 1255 C MET A 81 -3.359 8.521 4.322 1.00 0.00 C ATOM 1256 O MET A 81 -3.170 9.171 5.350 1.00 0.00 O ATOM 1257 CB MET A 81 -1.509 8.616 2.620 1.00 0.00 C ATOM 1258 CG MET A 81 -2.437 9.112 1.522 1.00 0.00 C ATOM 1259 SD MET A 81 -1.777 10.536 0.626 1.00 0.00 S ATOM 1260 CE MET A 81 -1.490 11.705 1.956 1.00 0.00 C ATOM 0 H MET A 81 -2.793 6.549 2.059 1.00 0.00 H new ATOM 0 HA MET A 81 -1.504 7.496 4.473 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.055 9.475 3.114 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.699 8.044 2.167 1.00 0.00 H new ATOM 0 HG2 MET A 81 -2.623 8.301 0.818 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.398 9.380 1.960 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.890 12.680 1.677 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.986 11.355 2.861 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.419 11.792 2.139 1.00 0.00 H new ATOM 1270 N THR A 82 -4.548 8.461 3.722 1.00 0.00 N ATOM 1271 CA THR A 82 -5.711 9.175 4.259 1.00 0.00 C ATOM 1272 C THR A 82 -7.002 8.399 4.000 1.00 0.00 C ATOM 1273 O THR A 82 -7.097 7.647 3.033 1.00 0.00 O ATOM 1274 CB THR A 82 -5.804 10.575 3.636 1.00 0.00 C ATOM 1275 OG1 THR A 82 -4.538 11.208 3.639 1.00 0.00 O ATOM 1276 CG2 THR A 82 -6.771 11.497 4.349 1.00 0.00 C ATOM 0 H THR A 82 -4.733 7.930 2.871 1.00 0.00 H new ATOM 0 HA THR A 82 -5.582 9.270 5.337 1.00 0.00 H new ATOM 0 HB THR A 82 -6.169 10.409 2.622 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.616 12.098 3.237 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.783 12.467 3.852 1.00 0.00 H new ATOM 0 HG22 THR A 82 -7.771 11.065 4.324 1.00 0.00 H new ATOM 0 HG23 THR A 82 -6.456 11.624 5.385 1.00 0.00 H new ATOM 1284 N ALA A 83 -7.994 8.584 4.872 1.00 0.00 N ATOM 1285 CA ALA A 83 -9.277 7.898 4.730 1.00 0.00 C ATOM 1286 C ALA A 83 -10.429 8.885 4.509 1.00 0.00 C ATOM 1287 O ALA A 83 -11.599 8.500 4.564 1.00 0.00 O ATOM 1288 CB ALA A 83 -9.559 7.042 5.956 1.00 0.00 C ATOM 0 H ALA A 83 -7.933 9.201 5.682 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.208 7.259 3.850 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -10.518 6.538 5.835 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.770 6.299 6.070 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.592 7.676 6.842 1.00 0.00 H new ATOM 1294 N HIS A 84 -10.088 10.156 4.268 1.00 0.00 N ATOM 1295 CA HIS A 84 -11.073 11.227 4.048 1.00 0.00 C ATOM 1296 C HIS A 84 -12.426 10.942 4.712 1.00 0.00 C ATOM 1297 O HIS A 84 -12.629 11.289 5.874 1.00 0.00 O ATOM 1298 CB HIS A 84 -11.259 11.522 2.554 1.00 0.00 C ATOM 1299 CG HIS A 84 -10.817 10.424 1.641 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -11.217 9.116 1.787 1.00 0.00 N ATOM 1301 CD2 HIS A 84 -10.014 10.450 0.553 1.00 0.00 C ATOM 1302 CE1 HIS A 84 -10.678 8.386 0.831 1.00 0.00 C ATOM 1303 NE2 HIS A 84 -9.945 9.173 0.063 1.00 0.00 N ATOM 0 H HIS A 84 -9.120 10.474 4.219 1.00 0.00 H new ATOM 0 HA HIS A 84 -10.662 12.114 4.530 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -12.313 11.730 2.367 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -10.706 12.428 2.305 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -11.834 8.766 2.520 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -9.518 11.319 0.145 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -10.813 7.323 0.698 1.00 0.00 H new ATOM 1312 N SER A 85 -13.358 10.328 3.978 1.00 0.00 N ATOM 1313 CA SER A 85 -14.679 10.040 4.534 1.00 0.00 C ATOM 1314 C SER A 85 -15.301 8.784 3.930 1.00 0.00 C ATOM 1315 O SER A 85 -16.506 8.739 3.679 1.00 0.00 O ATOM 1316 CB SER A 85 -15.610 11.231 4.307 1.00 0.00 C ATOM 1317 OG SER A 85 -15.231 12.335 5.110 1.00 0.00 O ATOM 0 H SER A 85 -13.224 10.026 3.013 1.00 0.00 H new ATOM 0 HA SER A 85 -14.549 9.863 5.602 1.00 0.00 H new ATOM 0 HB2 SER A 85 -15.589 11.518 3.256 1.00 0.00 H new ATOM 0 HB3 SER A 85 -16.636 10.944 4.539 1.00 0.00 H new ATOM 0 HG SER A 85 -14.409 12.118 5.597 1.00 0.00 H new ATOM 1323 N ASP A 86 -14.488 7.761 3.712 1.00 0.00 N ATOM 1324 CA ASP A 86 -14.981 6.508 3.154 1.00 0.00 C ATOM 1325 C ASP A 86 -14.357 5.322 3.881 1.00 0.00 C ATOM 1326 O ASP A 86 -14.057 4.293 3.278 1.00 0.00 O ATOM 1327 CB ASP A 86 -14.679 6.432 1.658 1.00 0.00 C ATOM 1328 CG ASP A 86 -15.921 6.166 0.827 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -16.639 5.191 1.128 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -16.171 6.933 -0.128 1.00 0.00 O ATOM 0 H ASP A 86 -13.488 7.772 3.912 1.00 0.00 H new ATOM 0 HA ASP A 86 -16.062 6.471 3.290 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.223 7.368 1.335 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.949 5.643 1.478 1.00 0.00 H new ATOM 1335 N LEU A 87 -14.169 5.481 5.187 1.00 0.00 N ATOM 1336 CA LEU A 87 -13.584 4.437 6.023 1.00 0.00 C ATOM 1337 C LEU A 87 -14.272 3.088 5.819 1.00 0.00 C ATOM 1338 O LEU A 87 -13.707 2.041 6.138 1.00 0.00 O ATOM 1339 CB LEU A 87 -13.642 4.844 7.498 1.00 0.00 C ATOM 1340 CG LEU A 87 -12.360 5.476 8.044 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -12.509 5.801 9.521 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -11.173 4.552 7.816 1.00 0.00 C ATOM 0 H LEU A 87 -14.416 6.331 5.694 1.00 0.00 H new ATOM 0 HA LEU A 87 -12.543 4.322 5.722 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.463 5.548 7.633 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.877 3.962 8.094 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.180 6.407 7.507 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.587 6.249 9.890 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -13.333 6.501 9.658 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.715 4.886 10.076 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.269 5.017 8.210 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.346 3.605 8.326 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.052 4.372 6.748 1.00 0.00 H new ATOM 1354 N ASP A 88 -15.497 3.115 5.302 1.00 0.00 N ATOM 1355 CA ASP A 88 -16.262 1.891 5.074 1.00 0.00 C ATOM 1356 C ASP A 88 -15.421 0.831 4.365 1.00 0.00 C ATOM 1357 O ASP A 88 -15.223 -0.265 4.888 1.00 0.00 O ATOM 1358 CB ASP A 88 -17.509 2.194 4.242 1.00 0.00 C ATOM 1359 CG ASP A 88 -18.499 3.074 4.977 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -18.331 4.312 4.947 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -19.444 2.526 5.584 1.00 0.00 O ATOM 0 H ASP A 88 -15.982 3.971 5.033 1.00 0.00 H new ATOM 0 HA ASP A 88 -16.558 1.500 6.048 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -17.212 2.683 3.314 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -17.995 1.258 3.967 1.00 0.00 H new ATOM 1366 N ALA A 89 -14.919 1.162 3.180 1.00 0.00 N ATOM 1367 CA ALA A 89 -14.092 0.228 2.430 1.00 0.00 C ATOM 1368 C ALA A 89 -12.741 0.036 3.114 1.00 0.00 C ATOM 1369 O ALA A 89 -12.043 -0.949 2.870 1.00 0.00 O ATOM 1370 CB ALA A 89 -13.905 0.707 0.994 1.00 0.00 C ATOM 0 H ALA A 89 -15.069 2.061 2.723 1.00 0.00 H new ATOM 0 HA ALA A 89 -14.602 -0.735 2.405 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -13.284 -0.005 0.451 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -14.877 0.786 0.507 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -13.420 1.683 0.996 1.00 0.00 H new ATOM 1376 N ALA A 90 -12.381 0.987 3.973 1.00 0.00 N ATOM 1377 CA ALA A 90 -11.118 0.936 4.701 1.00 0.00 C ATOM 1378 C ALA A 90 -11.106 -0.179 5.740 1.00 0.00 C ATOM 1379 O ALA A 90 -10.133 -0.924 5.845 1.00 0.00 O ATOM 1380 CB ALA A 90 -10.842 2.271 5.374 1.00 0.00 C ATOM 0 H ALA A 90 -12.951 1.807 4.182 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.333 0.725 3.975 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.896 2.218 5.913 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.785 3.055 4.618 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.646 2.499 6.073 1.00 0.00 H new ATOM 1386 N VAL A 91 -12.178 -0.286 6.521 1.00 0.00 N ATOM 1387 CA VAL A 91 -12.242 -1.315 7.552 1.00 0.00 C ATOM 1388 C VAL A 91 -12.304 -2.708 6.940 1.00 0.00 C ATOM 1389 O VAL A 91 -11.491 -3.571 7.270 1.00 0.00 O ATOM 1390 CB VAL A 91 -13.425 -1.127 8.516 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -13.192 -1.959 9.770 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -13.609 0.344 8.873 1.00 0.00 C ATOM 0 H VAL A 91 -13.000 0.316 6.461 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.324 -1.211 8.130 1.00 0.00 H new ATOM 0 HB VAL A 91 -14.338 -1.464 8.026 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -14.030 -1.827 10.455 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -13.108 -3.011 9.498 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -12.272 -1.635 10.256 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -14.452 0.450 9.556 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -12.704 0.718 9.352 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.802 0.917 7.966 1.00 0.00 H new ATOM 1402 N SER A 92 -13.250 -2.924 6.033 1.00 0.00 N ATOM 1403 CA SER A 92 -13.372 -4.220 5.376 1.00 0.00 C ATOM 1404 C SER A 92 -12.090 -4.538 4.623 1.00 0.00 C ATOM 1405 O SER A 92 -11.737 -5.700 4.431 1.00 0.00 O ATOM 1406 CB SER A 92 -14.558 -4.246 4.414 1.00 0.00 C ATOM 1407 OG SER A 92 -15.760 -3.888 5.073 1.00 0.00 O ATOM 0 H SER A 92 -13.936 -2.228 5.739 1.00 0.00 H new ATOM 0 HA SER A 92 -13.543 -4.974 6.144 1.00 0.00 H new ATOM 0 HB2 SER A 92 -14.375 -3.559 3.588 1.00 0.00 H new ATOM 0 HB3 SER A 92 -14.659 -5.242 3.984 1.00 0.00 H new ATOM 0 HG SER A 92 -16.503 -3.911 4.434 1.00 0.00 H new ATOM 1413 N ALA A 93 -11.383 -3.491 4.212 1.00 0.00 N ATOM 1414 CA ALA A 93 -10.134 -3.658 3.499 1.00 0.00 C ATOM 1415 C ALA A 93 -9.134 -4.405 4.367 1.00 0.00 C ATOM 1416 O ALA A 93 -8.426 -5.295 3.896 1.00 0.00 O ATOM 1417 CB ALA A 93 -9.587 -2.308 3.080 1.00 0.00 C ATOM 0 H ALA A 93 -11.658 -2.520 4.363 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.312 -4.247 2.599 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.648 -2.446 2.545 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -10.306 -1.810 2.429 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -9.414 -1.695 3.965 1.00 0.00 H new ATOM 1423 N TYR A 94 -9.100 -4.044 5.644 1.00 0.00 N ATOM 1424 CA TYR A 94 -8.202 -4.692 6.595 1.00 0.00 C ATOM 1425 C TYR A 94 -8.631 -6.131 6.815 1.00 0.00 C ATOM 1426 O TYR A 94 -7.823 -6.995 7.156 1.00 0.00 O ATOM 1427 CB TYR A 94 -8.191 -3.978 7.953 1.00 0.00 C ATOM 1428 CG TYR A 94 -8.254 -2.468 7.893 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -7.380 -1.742 7.096 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -9.184 -1.767 8.654 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -7.429 -0.362 7.058 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -9.240 -0.388 8.618 1.00 0.00 C ATOM 1433 CZ TYR A 94 -8.361 0.310 7.822 1.00 0.00 C ATOM 1434 OH TYR A 94 -8.418 1.683 7.789 1.00 0.00 O ATOM 0 H TYR A 94 -9.682 -3.308 6.045 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.200 -4.648 6.169 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -9.037 -4.337 8.540 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -7.286 -4.266 8.488 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.650 -2.264 6.496 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -9.873 -2.310 9.283 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.741 0.188 6.433 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -9.971 0.141 9.212 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.312 1.993 6.865 1.00 0.00 H new ATOM 1444 N GLN A 95 -9.920 -6.370 6.630 1.00 0.00 N ATOM 1445 CA GLN A 95 -10.486 -7.697 6.820 1.00 0.00 C ATOM 1446 C GLN A 95 -9.849 -8.700 5.863 1.00 0.00 C ATOM 1447 O GLN A 95 -9.566 -9.835 6.245 1.00 0.00 O ATOM 1448 CB GLN A 95 -12.015 -7.649 6.645 1.00 0.00 C ATOM 1449 CG GLN A 95 -12.645 -8.947 6.157 1.00 0.00 C ATOM 1450 CD GLN A 95 -12.706 -9.038 4.643 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -12.287 -10.034 4.054 1.00 0.00 O ATOM 1452 NE2 GLN A 95 -13.235 -7.997 4.002 1.00 0.00 N ATOM 0 H GLN A 95 -10.596 -5.660 6.348 1.00 0.00 H new ATOM 0 HA GLN A 95 -10.269 -8.030 7.835 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -12.467 -7.379 7.599 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -12.261 -6.855 5.940 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -12.074 -9.791 6.544 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -13.653 -9.031 6.562 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -13.571 -7.191 4.529 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -13.304 -8.006 2.984 1.00 0.00 H new ATOM 1461 N GLN A 96 -9.630 -8.285 4.619 1.00 0.00 N ATOM 1462 CA GLN A 96 -9.037 -9.170 3.634 1.00 0.00 C ATOM 1463 C GLN A 96 -7.546 -8.914 3.423 1.00 0.00 C ATOM 1464 O GLN A 96 -6.848 -9.784 2.912 1.00 0.00 O ATOM 1465 CB GLN A 96 -9.769 -9.048 2.301 1.00 0.00 C ATOM 1466 CG GLN A 96 -9.600 -7.697 1.628 1.00 0.00 C ATOM 1467 CD GLN A 96 -10.918 -6.973 1.485 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -11.173 -5.973 2.147 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -11.762 -7.489 0.611 1.00 0.00 N ATOM 0 H GLN A 96 -9.853 -7.351 4.276 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.140 -10.182 4.027 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -9.409 -9.826 1.628 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -10.831 -9.232 2.463 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -8.910 -7.085 2.209 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -9.152 -7.835 0.644 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -11.504 -8.323 0.084 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -12.672 -7.054 0.463 1.00 0.00 H new ATOM 1478 N GLY A 97 -7.047 -7.738 3.809 1.00 0.00 N ATOM 1479 CA GLY A 97 -5.632 -7.467 3.609 1.00 0.00 C ATOM 1480 C GLY A 97 -5.151 -6.138 4.170 1.00 0.00 C ATOM 1481 O GLY A 97 -4.220 -6.114 4.972 1.00 0.00 O ATOM 0 H GLY A 97 -7.582 -6.987 4.245 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.055 -8.269 4.068 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.419 -7.492 2.540 1.00 0.00 H new ATOM 1485 N ALA A 98 -5.755 -5.028 3.725 1.00 0.00 N ATOM 1486 CA ALA A 98 -5.346 -3.688 4.172 1.00 0.00 C ATOM 1487 C ALA A 98 -4.764 -3.699 5.584 1.00 0.00 C ATOM 1488 O ALA A 98 -5.252 -4.404 6.466 1.00 0.00 O ATOM 1489 CB ALA A 98 -6.497 -2.704 4.080 1.00 0.00 C ATOM 0 H ALA A 98 -6.526 -5.030 3.058 1.00 0.00 H new ATOM 0 HA ALA A 98 -4.555 -3.363 3.496 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.164 -1.722 4.417 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -6.837 -2.637 3.046 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.318 -3.045 4.710 1.00 0.00 H new ATOM 1495 N PHE A 99 -3.703 -2.929 5.786 1.00 0.00 N ATOM 1496 CA PHE A 99 -3.046 -2.868 7.080 1.00 0.00 C ATOM 1497 C PHE A 99 -3.725 -1.863 8.003 1.00 0.00 C ATOM 1498 O PHE A 99 -4.098 -2.195 9.127 1.00 0.00 O ATOM 1499 CB PHE A 99 -1.572 -2.508 6.907 1.00 0.00 C ATOM 1500 CG PHE A 99 -0.781 -2.604 8.178 1.00 0.00 C ATOM 1501 CD1 PHE A 99 -0.796 -3.765 8.931 1.00 0.00 C ATOM 1502 CD2 PHE A 99 -0.021 -1.531 8.618 1.00 0.00 C ATOM 1503 CE1 PHE A 99 -0.069 -3.858 10.103 1.00 0.00 C ATOM 1504 CE2 PHE A 99 0.708 -1.619 9.789 1.00 0.00 C ATOM 1505 CZ PHE A 99 0.685 -2.784 10.531 1.00 0.00 C ATOM 0 H PHE A 99 -3.281 -2.339 5.069 1.00 0.00 H new ATOM 0 HA PHE A 99 -3.124 -3.853 7.540 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.129 -3.169 6.162 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.497 -1.493 6.517 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.383 -4.609 8.599 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.002 -0.619 8.041 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -0.091 -4.769 10.683 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.296 -0.777 10.124 1.00 0.00 H new ATOM 0 HZ PHE A 99 1.256 -2.854 11.445 1.00 0.00 H new ATOM 1515 N ASP A 100 -3.880 -0.633 7.523 1.00 0.00 N ATOM 1516 CA ASP A 100 -4.516 0.417 8.315 1.00 0.00 C ATOM 1517 C ASP A 100 -4.617 1.714 7.513 1.00 0.00 C ATOM 1518 O ASP A 100 -4.459 1.714 6.293 1.00 0.00 O ATOM 1519 CB ASP A 100 -3.732 0.654 9.613 1.00 0.00 C ATOM 1520 CG ASP A 100 -2.417 1.372 9.383 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -1.639 0.922 8.515 1.00 0.00 O ATOM 1522 OD2 ASP A 100 -2.164 2.384 10.071 1.00 0.00 O ATOM 0 H ASP A 100 -3.576 -0.339 6.595 1.00 0.00 H new ATOM 0 HA ASP A 100 -5.525 0.091 8.569 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -4.344 1.238 10.300 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -3.538 -0.304 10.095 1.00 0.00 H new ATOM 1527 N TYR A 101 -4.880 2.819 8.207 1.00 0.00 N ATOM 1528 CA TYR A 101 -4.997 4.118 7.554 1.00 0.00 C ATOM 1529 C TYR A 101 -4.308 5.203 8.370 1.00 0.00 C ATOM 1530 O TYR A 101 -4.193 5.103 9.592 1.00 0.00 O ATOM 1531 CB TYR A 101 -6.470 4.491 7.352 1.00 0.00 C ATOM 1532 CG TYR A 101 -7.008 4.147 5.988 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -7.201 2.829 5.599 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -7.330 5.151 5.091 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -7.701 2.522 4.351 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -7.828 4.854 3.843 1.00 0.00 C ATOM 1537 CZ TYR A 101 -8.012 3.539 3.478 1.00 0.00 C ATOM 1538 OH TYR A 101 -8.511 3.241 2.233 1.00 0.00 O ATOM 0 H TYR A 101 -5.015 2.840 9.218 1.00 0.00 H new ATOM 0 HA TYR A 101 -4.509 4.043 6.582 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -7.070 3.982 8.107 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -6.589 5.562 7.519 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -6.956 2.031 6.284 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -7.188 6.183 5.375 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -7.847 1.492 4.061 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.073 5.648 3.153 1.00 0.00 H new ATOM 0 HH TYR A 101 -9.107 2.466 2.297 1.00 0.00 H new ATOM 1548 N LEU A 102 -3.861 6.246 7.681 1.00 0.00 N ATOM 1549 CA LEU A 102 -3.190 7.361 8.331 1.00 0.00 C ATOM 1550 C LEU A 102 -4.132 8.559 8.459 1.00 0.00 C ATOM 1551 O LEU A 102 -4.607 9.091 7.455 1.00 0.00 O ATOM 1552 CB LEU A 102 -1.945 7.758 7.539 1.00 0.00 C ATOM 1553 CG LEU A 102 -0.618 7.325 8.161 1.00 0.00 C ATOM 1554 CD1 LEU A 102 -0.615 5.839 8.429 1.00 0.00 C ATOM 1555 CD2 LEU A 102 0.535 7.684 7.249 1.00 0.00 C ATOM 0 H LEU A 102 -3.952 6.341 6.670 1.00 0.00 H new ATOM 0 HA LEU A 102 -2.892 7.047 9.331 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.017 7.330 6.539 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.938 8.842 7.422 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.499 7.852 9.108 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.339 5.551 8.872 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.424 5.592 9.117 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.758 5.300 7.492 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.473 7.369 7.707 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.411 7.180 6.291 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.552 8.762 7.092 1.00 0.00 H new ATOM 1567 N PRO A 103 -4.416 9.004 9.698 1.00 0.00 N ATOM 1568 CA PRO A 103 -5.305 10.145 9.942 1.00 0.00 C ATOM 1569 C PRO A 103 -4.738 11.448 9.389 1.00 0.00 C ATOM 1570 O PRO A 103 -5.288 12.031 8.455 1.00 0.00 O ATOM 1571 CB PRO A 103 -5.404 10.218 11.473 1.00 0.00 C ATOM 1572 CG PRO A 103 -4.891 8.908 11.971 1.00 0.00 C ATOM 1573 CD PRO A 103 -3.900 8.435 10.951 1.00 0.00 C ATOM 0 HA PRO A 103 -6.268 10.014 9.449 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -4.812 11.045 11.865 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -6.433 10.383 11.792 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -4.421 9.019 12.948 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -5.703 8.190 12.088 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -2.894 8.791 11.171 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -3.852 7.347 10.910 1.00 0.00 H new ATOM 1581 N LYS A 104 -3.640 11.902 9.981 1.00 0.00 N ATOM 1582 CA LYS A 104 -2.998 13.144 9.559 1.00 0.00 C ATOM 1583 C LYS A 104 -1.557 12.918 9.087 1.00 0.00 C ATOM 1584 O LYS A 104 -1.227 13.233 7.945 1.00 0.00 O ATOM 1585 CB LYS A 104 -3.034 14.173 10.693 1.00 0.00 C ATOM 1586 CG LYS A 104 -4.441 14.490 11.174 1.00 0.00 C ATOM 1587 CD LYS A 104 -4.684 15.989 11.253 1.00 0.00 C ATOM 1588 CE LYS A 104 -6.118 16.337 10.887 1.00 0.00 C ATOM 1589 NZ LYS A 104 -7.032 16.231 12.058 1.00 0.00 N ATOM 0 H LYS A 104 -3.174 11.429 10.756 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.560 13.529 8.708 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.446 13.800 11.532 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.557 15.093 10.355 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -5.167 14.039 10.498 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -4.599 14.043 12.156 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -4.468 16.342 12.262 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.999 16.506 10.581 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -6.155 17.351 10.488 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -6.463 15.671 10.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -8.000 16.476 11.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -7.017 15.257 12.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -6.719 16.885 12.803 1.00 0.00 H new ATOM 1603 N PRO A 105 -0.669 12.372 9.947 1.00 0.00 N ATOM 1604 CA PRO A 105 0.729 12.124 9.573 1.00 0.00 C ATOM 1605 C PRO A 105 0.850 11.271 8.315 1.00 0.00 C ATOM 1606 O PRO A 105 -0.108 10.619 7.903 1.00 0.00 O ATOM 1607 CB PRO A 105 1.315 11.381 10.785 1.00 0.00 C ATOM 1608 CG PRO A 105 0.136 10.937 11.583 1.00 0.00 C ATOM 1609 CD PRO A 105 -0.936 11.956 11.334 1.00 0.00 C ATOM 0 HA PRO A 105 1.251 13.052 9.342 1.00 0.00 H new ATOM 0 HB2 PRO A 105 1.920 10.530 10.470 1.00 0.00 H new ATOM 0 HB3 PRO A 105 1.963 12.033 11.370 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -0.191 9.943 11.277 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.381 10.879 12.643 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -1.933 11.530 11.444 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -0.868 12.793 12.028 1.00 0.00 H new ATOM 1617 N PHE A 106 2.038 11.277 7.712 1.00 0.00 N ATOM 1618 CA PHE A 106 2.292 10.499 6.504 1.00 0.00 C ATOM 1619 C PHE A 106 3.779 10.535 6.141 1.00 0.00 C ATOM 1620 O PHE A 106 4.588 9.890 6.803 1.00 0.00 O ATOM 1621 CB PHE A 106 1.424 10.997 5.341 1.00 0.00 C ATOM 1622 CG PHE A 106 1.614 10.211 4.070 1.00 0.00 C ATOM 1623 CD1 PHE A 106 1.411 8.842 4.054 1.00 0.00 C ATOM 1624 CD2 PHE A 106 1.995 10.840 2.896 1.00 0.00 C ATOM 1625 CE1 PHE A 106 1.583 8.113 2.893 1.00 0.00 C ATOM 1626 CE2 PHE A 106 2.170 10.117 1.731 1.00 0.00 C ATOM 1627 CZ PHE A 106 1.963 8.751 1.730 1.00 0.00 C ATOM 0 H PHE A 106 2.840 11.814 8.042 1.00 0.00 H new ATOM 0 HA PHE A 106 2.020 9.462 6.701 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.375 10.950 5.635 1.00 0.00 H new ATOM 0 HB3 PHE A 106 1.654 12.045 5.149 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.114 8.337 4.961 1.00 0.00 H new ATOM 0 HD2 PHE A 106 2.157 11.908 2.891 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.420 7.045 2.896 1.00 0.00 H new ATOM 0 HE2 PHE A 106 2.468 10.619 0.823 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.098 8.184 0.821 1.00 0.00 H new ATOM 1637 N ASP A 107 4.144 11.284 5.094 1.00 0.00 N ATOM 1638 CA ASP A 107 5.539 11.377 4.666 1.00 0.00 C ATOM 1639 C ASP A 107 6.214 10.001 4.683 1.00 0.00 C ATOM 1640 O ASP A 107 5.586 8.998 5.009 1.00 0.00 O ATOM 1641 CB ASP A 107 6.299 12.365 5.555 1.00 0.00 C ATOM 1642 CG ASP A 107 6.271 11.973 7.016 1.00 0.00 C ATOM 1643 OD1 ASP A 107 5.328 12.383 7.725 1.00 0.00 O ATOM 1644 OD2 ASP A 107 7.193 11.256 7.452 1.00 0.00 O ATOM 0 H ASP A 107 3.493 11.832 4.531 1.00 0.00 H new ATOM 0 HA ASP A 107 5.559 11.744 3.640 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.334 12.428 5.219 1.00 0.00 H new ATOM 0 HB3 ASP A 107 5.866 13.359 5.441 1.00 0.00 H new ATOM 1649 N ILE A 108 7.485 9.949 4.316 1.00 0.00 N ATOM 1650 CA ILE A 108 8.207 8.683 4.287 1.00 0.00 C ATOM 1651 C ILE A 108 8.421 8.110 5.685 1.00 0.00 C ATOM 1652 O ILE A 108 8.260 6.910 5.903 1.00 0.00 O ATOM 1653 CB ILE A 108 9.549 8.816 3.538 1.00 0.00 C ATOM 1654 CG1 ILE A 108 9.506 8.000 2.248 1.00 0.00 C ATOM 1655 CG2 ILE A 108 10.718 8.369 4.400 1.00 0.00 C ATOM 1656 CD1 ILE A 108 8.368 8.381 1.325 1.00 0.00 C ATOM 0 H ILE A 108 8.036 10.761 4.036 1.00 0.00 H new ATOM 0 HA ILE A 108 7.581 7.979 3.739 1.00 0.00 H new ATOM 0 HB ILE A 108 9.697 9.869 3.299 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.450 8.125 1.718 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.420 6.943 2.500 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.646 8.477 3.839 1.00 0.00 H new ATOM 0 HG22 ILE A 108 10.764 8.984 5.299 1.00 0.00 H new ATOM 0 HG23 ILE A 108 10.584 7.325 4.682 1.00 0.00 H new ATOM 0 HD11 ILE A 108 8.402 7.760 0.430 1.00 0.00 H new ATOM 0 HD12 ILE A 108 7.418 8.229 1.837 1.00 0.00 H new ATOM 0 HD13 ILE A 108 8.464 9.429 1.043 1.00 0.00 H new ATOM 1668 N ASP A 109 8.798 8.962 6.619 1.00 0.00 N ATOM 1669 CA ASP A 109 9.050 8.524 7.992 1.00 0.00 C ATOM 1670 C ASP A 109 7.894 7.681 8.531 1.00 0.00 C ATOM 1671 O ASP A 109 8.092 6.530 8.917 1.00 0.00 O ATOM 1672 CB ASP A 109 9.298 9.721 8.913 1.00 0.00 C ATOM 1673 CG ASP A 109 10.585 10.452 8.583 1.00 0.00 C ATOM 1674 OD1 ASP A 109 10.557 11.340 7.704 1.00 0.00 O ATOM 1675 OD2 ASP A 109 11.622 10.141 9.206 1.00 0.00 O ATOM 0 H ASP A 109 8.938 9.960 6.460 1.00 0.00 H new ATOM 0 HA ASP A 109 9.946 7.904 7.973 1.00 0.00 H new ATOM 0 HB2 ASP A 109 8.460 10.414 8.836 1.00 0.00 H new ATOM 0 HB3 ASP A 109 9.334 9.378 9.947 1.00 0.00 H new ATOM 1680 N GLU A 110 6.690 8.251 8.558 1.00 0.00 N ATOM 1681 CA GLU A 110 5.525 7.528 9.057 1.00 0.00 C ATOM 1682 C GLU A 110 5.052 6.484 8.057 1.00 0.00 C ATOM 1683 O GLU A 110 4.536 5.433 8.440 1.00 0.00 O ATOM 1684 CB GLU A 110 4.379 8.488 9.395 1.00 0.00 C ATOM 1685 CG GLU A 110 4.714 9.472 10.502 1.00 0.00 C ATOM 1686 CD GLU A 110 4.427 8.914 11.882 1.00 0.00 C ATOM 1687 OE1 GLU A 110 4.864 7.778 12.163 1.00 0.00 O ATOM 1688 OE2 GLU A 110 3.764 9.610 12.678 1.00 0.00 O ATOM 0 H GLU A 110 6.498 9.202 8.243 1.00 0.00 H new ATOM 0 HA GLU A 110 5.830 7.017 9.970 1.00 0.00 H new ATOM 0 HB2 GLU A 110 4.105 9.043 8.498 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.505 7.907 9.689 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.768 9.744 10.436 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.139 10.387 10.357 1.00 0.00 H new ATOM 1695 N ALA A 111 5.235 6.770 6.778 1.00 0.00 N ATOM 1696 CA ALA A 111 4.831 5.842 5.733 1.00 0.00 C ATOM 1697 C ALA A 111 5.677 4.578 5.792 1.00 0.00 C ATOM 1698 O ALA A 111 5.161 3.483 6.015 1.00 0.00 O ATOM 1699 CB ALA A 111 4.938 6.489 4.362 1.00 0.00 C ATOM 0 H ALA A 111 5.659 7.634 6.439 1.00 0.00 H new ATOM 0 HA ALA A 111 3.788 5.573 5.900 1.00 0.00 H new ATOM 0 HB1 ALA A 111 4.631 5.775 3.598 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.291 7.365 4.322 1.00 0.00 H new ATOM 0 HB3 ALA A 111 5.970 6.791 4.182 1.00 0.00 H new ATOM 1705 N VAL A 112 6.984 4.740 5.611 1.00 0.00 N ATOM 1706 CA VAL A 112 7.902 3.611 5.663 1.00 0.00 C ATOM 1707 C VAL A 112 7.818 2.924 7.016 1.00 0.00 C ATOM 1708 O VAL A 112 7.997 1.713 7.134 1.00 0.00 O ATOM 1709 CB VAL A 112 9.356 4.040 5.411 1.00 0.00 C ATOM 1710 CG1 VAL A 112 10.267 2.820 5.416 1.00 0.00 C ATOM 1711 CG2 VAL A 112 9.473 4.802 4.099 1.00 0.00 C ATOM 0 H VAL A 112 7.429 5.640 5.428 1.00 0.00 H new ATOM 0 HA VAL A 112 7.604 2.922 4.873 1.00 0.00 H new ATOM 0 HB VAL A 112 9.669 4.709 6.213 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.296 3.133 5.237 1.00 0.00 H new ATOM 0 HG12 VAL A 112 10.203 2.322 6.383 1.00 0.00 H new ATOM 0 HG13 VAL A 112 9.956 2.130 4.631 1.00 0.00 H new ATOM 0 HG21 VAL A 112 10.510 5.096 3.940 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.147 4.164 3.277 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.845 5.692 4.138 1.00 0.00 H new ATOM 1721 N ALA A 113 7.531 3.710 8.034 1.00 0.00 N ATOM 1722 CA ALA A 113 7.400 3.186 9.379 1.00 0.00 C ATOM 1723 C ALA A 113 6.223 2.231 9.444 1.00 0.00 C ATOM 1724 O ALA A 113 6.306 1.147 10.022 1.00 0.00 O ATOM 1725 CB ALA A 113 7.188 4.320 10.355 1.00 0.00 C ATOM 0 H ALA A 113 7.384 4.716 7.955 1.00 0.00 H new ATOM 0 HA ALA A 113 8.313 2.653 9.644 1.00 0.00 H new ATOM 0 HB1 ALA A 113 7.090 3.918 11.364 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.040 4.998 10.315 1.00 0.00 H new ATOM 0 HB3 ALA A 113 6.280 4.862 10.091 1.00 0.00 H new ATOM 1731 N LEU A 114 5.120 2.665 8.849 1.00 0.00 N ATOM 1732 CA LEU A 114 3.896 1.886 8.826 1.00 0.00 C ATOM 1733 C LEU A 114 3.980 0.723 7.842 1.00 0.00 C ATOM 1734 O LEU A 114 3.259 -0.265 7.979 1.00 0.00 O ATOM 1735 CB LEU A 114 2.711 2.784 8.464 1.00 0.00 C ATOM 1736 CG LEU A 114 1.335 2.153 8.677 1.00 0.00 C ATOM 1737 CD1 LEU A 114 1.074 1.942 10.156 1.00 0.00 C ATOM 1738 CD2 LEU A 114 0.246 3.020 8.068 1.00 0.00 C ATOM 0 H LEU A 114 5.052 3.564 8.371 1.00 0.00 H new ATOM 0 HA LEU A 114 3.753 1.470 9.823 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.771 3.697 9.057 1.00 0.00 H new ATOM 0 HB3 LEU A 114 2.802 3.077 7.418 1.00 0.00 H new ATOM 0 HG LEU A 114 1.322 1.184 8.178 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.090 1.492 10.291 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.836 1.281 10.569 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.108 2.902 10.672 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.725 2.552 8.231 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.259 4.003 8.538 1.00 0.00 H new ATOM 0 HD23 LEU A 114 0.422 3.127 6.998 1.00 0.00 H new ATOM 1750 N VAL A 115 4.846 0.844 6.841 1.00 0.00 N ATOM 1751 CA VAL A 115 4.985 -0.211 5.842 1.00 0.00 C ATOM 1752 C VAL A 115 5.838 -1.367 6.358 1.00 0.00 C ATOM 1753 O VAL A 115 5.500 -2.535 6.165 1.00 0.00 O ATOM 1754 CB VAL A 115 5.564 0.313 4.506 1.00 0.00 C ATOM 1755 CG1 VAL A 115 7.068 0.502 4.590 1.00 0.00 C ATOM 1756 CG2 VAL A 115 5.212 -0.626 3.360 1.00 0.00 C ATOM 0 H VAL A 115 5.455 1.650 6.700 1.00 0.00 H new ATOM 0 HA VAL A 115 3.976 -0.577 5.650 1.00 0.00 H new ATOM 0 HB VAL A 115 5.113 1.286 4.311 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.442 0.871 3.635 1.00 0.00 H new ATOM 0 HG12 VAL A 115 7.301 1.223 5.374 1.00 0.00 H new ATOM 0 HG13 VAL A 115 7.542 -0.452 4.822 1.00 0.00 H new ATOM 0 HG21 VAL A 115 5.629 -0.238 2.431 1.00 0.00 H new ATOM 0 HG22 VAL A 115 5.626 -1.614 3.559 1.00 0.00 H new ATOM 0 HG23 VAL A 115 4.128 -0.699 3.269 1.00 0.00 H new ATOM 1766 N GLU A 116 6.947 -1.036 7.011 1.00 0.00 N ATOM 1767 CA GLU A 116 7.846 -2.051 7.548 1.00 0.00 C ATOM 1768 C GLU A 116 7.172 -2.849 8.662 1.00 0.00 C ATOM 1769 O GLU A 116 7.282 -4.075 8.708 1.00 0.00 O ATOM 1770 CB GLU A 116 9.136 -1.408 8.061 1.00 0.00 C ATOM 1771 CG GLU A 116 10.039 -0.899 6.948 1.00 0.00 C ATOM 1772 CD GLU A 116 11.345 -0.327 7.468 1.00 0.00 C ATOM 1773 OE1 GLU A 116 11.303 0.694 8.186 1.00 0.00 O ATOM 1774 OE2 GLU A 116 12.411 -0.899 7.154 1.00 0.00 O ATOM 0 H GLU A 116 7.244 -0.075 7.181 1.00 0.00 H new ATOM 0 HA GLU A 116 8.095 -2.739 6.740 1.00 0.00 H new ATOM 0 HB2 GLU A 116 8.883 -0.579 8.722 1.00 0.00 H new ATOM 0 HB3 GLU A 116 9.684 -2.136 8.659 1.00 0.00 H new ATOM 0 HG2 GLU A 116 10.254 -1.715 6.258 1.00 0.00 H new ATOM 0 HG3 GLU A 116 9.512 -0.132 6.380 1.00 0.00 H new ATOM 1781 N ARG A 117 6.473 -2.156 9.555 1.00 0.00 N ATOM 1782 CA ARG A 117 5.788 -2.824 10.656 1.00 0.00 C ATOM 1783 C ARG A 117 4.703 -3.761 10.132 1.00 0.00 C ATOM 1784 O ARG A 117 4.322 -4.721 10.802 1.00 0.00 O ATOM 1785 CB ARG A 117 5.195 -1.807 11.638 1.00 0.00 C ATOM 1786 CG ARG A 117 4.066 -0.966 11.064 1.00 0.00 C ATOM 1787 CD ARG A 117 3.729 0.201 11.982 1.00 0.00 C ATOM 1788 NE ARG A 117 3.376 -0.243 13.330 1.00 0.00 N ATOM 1789 CZ ARG A 117 2.132 -0.513 13.726 1.00 0.00 C ATOM 1790 NH1 ARG A 117 1.113 -0.392 12.884 1.00 0.00 N ATOM 1791 NH2 ARG A 117 1.906 -0.906 14.972 1.00 0.00 N ATOM 0 H ARG A 117 6.366 -1.142 9.539 1.00 0.00 H new ATOM 0 HA ARG A 117 6.526 -3.420 11.193 1.00 0.00 H new ATOM 0 HB2 ARG A 117 4.826 -2.339 12.515 1.00 0.00 H new ATOM 0 HB3 ARG A 117 5.989 -1.143 11.979 1.00 0.00 H new ATOM 0 HG2 ARG A 117 4.352 -0.589 10.082 1.00 0.00 H new ATOM 0 HG3 ARG A 117 3.182 -1.587 10.922 1.00 0.00 H new ATOM 0 HD2 ARG A 117 4.582 0.878 12.035 1.00 0.00 H new ATOM 0 HD3 ARG A 117 2.899 0.767 11.558 1.00 0.00 H new ATOM 0 HE ARG A 117 4.129 -0.353 14.010 1.00 0.00 H new ATOM 0 HH11 ARG A 117 1.278 -0.090 11.924 1.00 0.00 H new ATOM 0 HH12 ARG A 117 0.165 -0.601 13.197 1.00 0.00 H new ATOM 0 HH21 ARG A 117 2.683 -1.001 15.626 1.00 0.00 H new ATOM 0 HH22 ARG A 117 0.955 -1.113 15.277 1.00 0.00 H new ATOM 1805 N ALA A 118 4.219 -3.485 8.925 1.00 0.00 N ATOM 1806 CA ALA A 118 3.190 -4.311 8.308 1.00 0.00 C ATOM 1807 C ALA A 118 3.763 -5.660 7.886 1.00 0.00 C ATOM 1808 O ALA A 118 3.172 -6.706 8.148 1.00 0.00 O ATOM 1809 CB ALA A 118 2.578 -3.596 7.112 1.00 0.00 C ATOM 0 H ALA A 118 4.524 -2.695 8.356 1.00 0.00 H new ATOM 0 HA ALA A 118 2.406 -4.487 9.045 1.00 0.00 H new ATOM 0 HB1 ALA A 118 1.811 -4.228 6.664 1.00 0.00 H new ATOM 0 HB2 ALA A 118 2.129 -2.658 7.439 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.354 -3.389 6.375 1.00 0.00 H new ATOM 1815 N ILE A 119 4.922 -5.626 7.231 1.00 0.00 N ATOM 1816 CA ILE A 119 5.580 -6.843 6.776 1.00 0.00 C ATOM 1817 C ILE A 119 6.091 -7.656 7.955 1.00 0.00 C ATOM 1818 O ILE A 119 6.134 -8.885 7.909 1.00 0.00 O ATOM 1819 CB ILE A 119 6.764 -6.526 5.845 1.00 0.00 C ATOM 1820 CG1 ILE A 119 6.350 -5.527 4.767 1.00 0.00 C ATOM 1821 CG2 ILE A 119 7.305 -7.797 5.211 1.00 0.00 C ATOM 1822 CD1 ILE A 119 7.433 -4.527 4.446 1.00 0.00 C ATOM 0 H ILE A 119 5.423 -4.767 7.005 1.00 0.00 H new ATOM 0 HA ILE A 119 4.836 -7.420 6.226 1.00 0.00 H new ATOM 0 HB ILE A 119 7.556 -6.077 6.445 1.00 0.00 H new ATOM 0 HG12 ILE A 119 6.083 -6.069 3.860 1.00 0.00 H new ATOM 0 HG13 ILE A 119 5.457 -4.995 5.095 1.00 0.00 H new ATOM 0 HG21 ILE A 119 8.141 -7.550 4.557 1.00 0.00 H new ATOM 0 HG22 ILE A 119 7.644 -8.477 5.992 1.00 0.00 H new ATOM 0 HG23 ILE A 119 6.518 -8.276 4.629 1.00 0.00 H new ATOM 0 HD11 ILE A 119 7.080 -3.844 3.673 1.00 0.00 H new ATOM 0 HD12 ILE A 119 7.684 -3.962 5.343 1.00 0.00 H new ATOM 0 HD13 ILE A 119 8.319 -5.052 4.089 1.00 0.00 H new ATOM 1834 N SER A 120 6.476 -6.953 9.007 1.00 0.00 N ATOM 1835 CA SER A 120 6.991 -7.590 10.211 1.00 0.00 C ATOM 1836 C SER A 120 5.908 -8.421 10.890 1.00 0.00 C ATOM 1837 O SER A 120 6.164 -9.533 11.353 1.00 0.00 O ATOM 1838 CB SER A 120 7.525 -6.535 11.180 1.00 0.00 C ATOM 1839 OG SER A 120 8.079 -7.138 12.338 1.00 0.00 O ATOM 0 H SER A 120 6.442 -5.935 9.053 1.00 0.00 H new ATOM 0 HA SER A 120 7.806 -8.254 9.923 1.00 0.00 H new ATOM 0 HB2 SER A 120 8.284 -5.931 10.683 1.00 0.00 H new ATOM 0 HB3 SER A 120 6.719 -5.860 11.468 1.00 0.00 H new ATOM 0 HG SER A 120 8.415 -6.442 12.941 1.00 0.00 H new ATOM 1845 N HIS A 121 4.699 -7.875 10.945 1.00 0.00 N ATOM 1846 CA HIS A 121 3.579 -8.569 11.567 1.00 0.00 C ATOM 1847 C HIS A 121 3.269 -9.865 10.829 1.00 0.00 C ATOM 1848 O HIS A 121 2.793 -10.832 11.422 1.00 0.00 O ATOM 1849 CB HIS A 121 2.345 -7.665 11.593 1.00 0.00 C ATOM 1850 CG HIS A 121 2.350 -6.693 12.731 1.00 0.00 C ATOM 1851 ND1 HIS A 121 3.469 -5.979 13.106 1.00 0.00 N ATOM 1852 CD2 HIS A 121 1.364 -6.316 13.580 1.00 0.00 C ATOM 1853 CE1 HIS A 121 3.174 -5.207 14.134 1.00 0.00 C ATOM 1854 NE2 HIS A 121 1.903 -5.390 14.441 1.00 0.00 N ATOM 0 H HIS A 121 4.470 -6.956 10.567 1.00 0.00 H new ATOM 0 HA HIS A 121 3.856 -8.817 12.592 1.00 0.00 H new ATOM 0 HB2 HIS A 121 2.286 -7.115 10.654 1.00 0.00 H new ATOM 0 HB3 HIS A 121 1.450 -8.284 11.656 1.00 0.00 H new ATOM 0 HD1 HIS A 121 4.383 -6.039 12.658 1.00 0.00 H new ATOM 0 HD2 HIS A 121 0.346 -6.676 13.580 1.00 0.00 H new ATOM 0 HE1 HIS A 121 3.856 -4.539 14.639 1.00 0.00 H new ATOM 1863 N TYR A 122 3.549 -9.874 9.535 1.00 0.00 N ATOM 1864 CA TYR A 122 3.313 -11.045 8.709 1.00 0.00 C ATOM 1865 C TYR A 122 4.454 -12.045 8.855 1.00 0.00 C ATOM 1866 O TYR A 122 4.231 -13.227 9.113 1.00 0.00 O ATOM 1867 CB TYR A 122 3.147 -10.642 7.245 1.00 0.00 C ATOM 1868 CG TYR A 122 1.772 -10.937 6.696 1.00 0.00 C ATOM 1869 CD1 TYR A 122 1.199 -12.191 6.854 1.00 0.00 C ATOM 1870 CD2 TYR A 122 1.046 -9.961 6.025 1.00 0.00 C ATOM 1871 CE1 TYR A 122 -0.060 -12.467 6.358 1.00 0.00 C ATOM 1872 CE2 TYR A 122 -0.215 -10.230 5.526 1.00 0.00 C ATOM 1873 CZ TYR A 122 -0.761 -11.483 5.696 1.00 0.00 C ATOM 1874 OH TYR A 122 -2.014 -11.754 5.204 1.00 0.00 O ATOM 0 H TYR A 122 3.942 -9.078 9.033 1.00 0.00 H new ATOM 0 HA TYR A 122 2.392 -11.520 9.046 1.00 0.00 H new ATOM 0 HB2 TYR A 122 3.350 -9.576 7.144 1.00 0.00 H new ATOM 0 HB3 TYR A 122 3.890 -11.166 6.645 1.00 0.00 H new ATOM 0 HD1 TYR A 122 1.747 -12.964 7.373 1.00 0.00 H new ATOM 0 HD2 TYR A 122 1.473 -8.978 5.891 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -0.492 -13.448 6.488 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -0.769 -9.462 5.006 1.00 0.00 H new ATOM 0 HH TYR A 122 -2.169 -11.224 4.395 1.00 0.00 H new ATOM 1884 N GLN A 123 5.679 -11.557 8.693 1.00 0.00 N ATOM 1885 CA GLN A 123 6.858 -12.398 8.810 1.00 0.00 C ATOM 1886 C GLN A 123 7.170 -12.689 10.275 1.00 0.00 C ATOM 1887 O GLN A 123 6.570 -12.102 11.176 1.00 0.00 O ATOM 1888 CB GLN A 123 8.058 -11.727 8.138 1.00 0.00 C ATOM 1889 CG GLN A 123 8.642 -12.535 6.992 1.00 0.00 C ATOM 1890 CD GLN A 123 8.278 -11.970 5.632 1.00 0.00 C ATOM 1891 OE1 GLN A 123 7.102 -11.789 5.318 1.00 0.00 O ATOM 1892 NE2 GLN A 123 9.289 -11.689 4.819 1.00 0.00 N ATOM 0 H GLN A 123 5.879 -10.580 8.480 1.00 0.00 H new ATOM 0 HA GLN A 123 6.655 -13.343 8.306 1.00 0.00 H new ATOM 0 HB2 GLN A 123 7.755 -10.749 7.765 1.00 0.00 H new ATOM 0 HB3 GLN A 123 8.834 -11.557 8.884 1.00 0.00 H new ATOM 0 HG2 GLN A 123 9.727 -12.565 7.090 1.00 0.00 H new ATOM 0 HG3 GLN A 123 8.287 -13.563 7.060 1.00 0.00 H new ATOM 0 HE21 GLN A 123 10.249 -11.856 5.122 1.00 0.00 H new ATOM 0 HE22 GLN A 123 9.106 -11.306 3.891 1.00 0.00 H new ATOM 1901 N GLU A 124 8.110 -13.598 10.508 1.00 0.00 N ATOM 1902 CA GLU A 124 8.499 -13.964 11.867 1.00 0.00 C ATOM 1903 C GLU A 124 9.990 -14.271 11.941 1.00 0.00 C ATOM 1904 O GLU A 124 10.411 -15.191 12.644 1.00 0.00 O ATOM 1905 CB GLU A 124 7.691 -15.172 12.342 1.00 0.00 C ATOM 1906 CG GLU A 124 6.328 -14.809 12.907 1.00 0.00 C ATOM 1907 CD GLU A 124 6.386 -14.443 14.377 1.00 0.00 C ATOM 1908 OE1 GLU A 124 7.095 -15.140 15.136 1.00 0.00 O ATOM 1909 OE2 GLU A 124 5.723 -13.461 14.772 1.00 0.00 O ATOM 0 H GLU A 124 8.617 -14.095 9.775 1.00 0.00 H new ATOM 0 HA GLU A 124 8.289 -13.117 12.520 1.00 0.00 H new ATOM 0 HB2 GLU A 124 7.557 -15.860 11.507 1.00 0.00 H new ATOM 0 HB3 GLU A 124 8.261 -15.703 13.104 1.00 0.00 H new ATOM 0 HG2 GLU A 124 5.916 -13.972 12.344 1.00 0.00 H new ATOM 0 HG3 GLU A 124 5.647 -15.649 12.772 1.00 0.00 H new TER 1916 GLU A 124