USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 957 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 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 92 SER OG : rot -49:sc= -0.123 USER MOD Set 2.1: A 47 THR OG1 : rot 80:sc= -1.32 USER MOD Set 2.2: A 73 HIS : no HE2:sc= -25.4! C(o=-27!,f=-32!) USER MOD Set 3.1: A 35 ASN : amide:sc= -0.925 K(o=-1.9,f=-4.3) USER MOD Set 3.2: A 57 MET CE :methyl -120:sc= -0.992 (180deg=-4.48!) USER MOD Set 4.1: A 13 SER OG : rot 59:sc= 0.916 USER MOD Set 4.2: A 14 SER OG : rot 180:sc= -0.365 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 143:sc= -0.495 (180deg=-2.43!) USER MOD Single : A 2 GLN : amide:sc= -2.61 K(o=-2.6,f=-6.6!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 130:sc= -2.68 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.283 USER MOD Single : A 32 THR OG1 : rot 150:sc= -2.43! USER MOD Single : A 37 ASN : amide:sc= -1.37! C(o=-1.4!,f=-6.5!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -130:sc= -0.0453 (180deg=-0.398) USER MOD Single : A 68 GLN :FLIP amide:sc= -2.84! C(o=-4.9!,f=-2.8!) USER MOD Single : A 70 LYS NZ :NH3+ 173:sc= 0.14 (180deg=0.137) USER MOD Single : A 71 GLN : amide:sc= -0.53 K(o=-0.53,f=-4!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 180:sc= -0.153 (180deg=-0.153) USER MOD Single : A 82 THR OG1 : rot 170:sc= 0.00233 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN :FLIP amide:sc= -0.0308 F(o=-0.86,f=-0.031) USER MOD Single : A 96 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.0053) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot -51:sc= 0.118 USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 122 TYR OH : rot 165:sc= -0.457 USER MOD Single : A 123 GLN : amide:sc= -0.0563 K(o=-0.056,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.901 -16.548 -6.657 1.00 0.00 N ATOM 2 CA MET A 1 -12.277 -16.150 -8.042 1.00 0.00 C ATOM 3 C MET A 1 -11.690 -14.770 -8.352 1.00 0.00 C ATOM 4 O MET A 1 -11.231 -14.068 -7.473 1.00 0.00 O ATOM 5 CB MET A 1 -13.802 -16.096 -8.162 1.00 0.00 C ATOM 6 CG MET A 1 -14.394 -15.476 -6.894 1.00 0.00 C ATOM 7 SD MET A 1 -15.505 -14.121 -7.347 1.00 0.00 S ATOM 8 CE MET A 1 -16.998 -15.119 -7.558 1.00 0.00 C ATOM 0 H1 MET A 1 -12.692 -17.060 -6.216 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.064 -17.164 -6.688 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.685 -15.698 -6.098 1.00 0.00 H new ATOM 0 HA MET A 1 -11.884 -16.880 -8.750 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.088 -15.508 -9.034 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.201 -17.100 -8.309 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.937 -16.232 -6.326 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.596 -15.106 -6.250 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.829 -14.474 -7.845 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.831 -15.864 -8.336 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.235 -15.621 -6.620 1.00 0.00 H new ATOM 20 N GLN A 2 -11.700 -14.377 -9.598 1.00 0.00 N ATOM 21 CA GLN A 2 -11.141 -13.045 -9.968 1.00 0.00 C ATOM 22 C GLN A 2 -9.613 -13.114 -9.961 1.00 0.00 C ATOM 23 O GLN A 2 -8.987 -13.142 -8.920 1.00 0.00 O ATOM 24 CB GLN A 2 -11.610 -11.989 -8.964 1.00 0.00 C ATOM 25 CG GLN A 2 -13.079 -12.231 -8.613 1.00 0.00 C ATOM 26 CD GLN A 2 -13.906 -11.004 -9.001 1.00 0.00 C ATOM 27 OE1 GLN A 2 -14.156 -10.768 -10.166 1.00 0.00 O ATOM 28 NE2 GLN A 2 -14.347 -10.206 -8.066 1.00 0.00 N ATOM 0 H GLN A 2 -12.072 -14.922 -10.376 1.00 0.00 H new ATOM 0 HA GLN A 2 -11.489 -12.773 -10.964 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -10.998 -12.033 -8.063 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.486 -10.991 -9.386 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -13.449 -13.112 -9.137 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -13.181 -12.429 -7.546 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -14.138 -10.403 -7.087 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -14.900 -9.386 -8.315 1.00 0.00 H new ATOM 37 N ARG A 3 -9.008 -13.139 -11.116 1.00 0.00 N ATOM 38 CA ARG A 3 -7.522 -13.201 -11.176 1.00 0.00 C ATOM 39 C ARG A 3 -6.970 -11.811 -11.478 1.00 0.00 C ATOM 40 O ARG A 3 -6.398 -11.571 -12.523 1.00 0.00 O ATOM 41 CB ARG A 3 -7.088 -14.170 -12.276 1.00 0.00 C ATOM 42 CG ARG A 3 -5.560 -14.201 -12.351 1.00 0.00 C ATOM 43 CD ARG A 3 -5.019 -15.202 -11.329 1.00 0.00 C ATOM 44 NE ARG A 3 -4.758 -16.505 -12.002 1.00 0.00 N ATOM 45 CZ ARG A 3 -4.190 -17.477 -11.344 1.00 0.00 C ATOM 46 NH1 ARG A 3 -3.546 -17.225 -10.236 1.00 0.00 N ATOM 47 NH2 ARG A 3 -4.262 -18.699 -11.793 1.00 0.00 N ATOM 0 H ARG A 3 -9.479 -13.119 -12.021 1.00 0.00 H new ATOM 0 HA ARG A 3 -7.137 -13.549 -10.218 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -7.473 -15.168 -12.069 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -7.504 -13.860 -13.234 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -5.240 -14.481 -13.355 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -5.155 -13.208 -12.153 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -4.101 -14.821 -10.881 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -5.737 -15.336 -10.520 1.00 0.00 H new ATOM 0 HE ARG A 3 -5.024 -16.637 -12.978 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -3.488 -16.269 -9.886 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -3.101 -17.985 -9.721 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -4.763 -18.895 -12.660 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -3.817 -19.459 -11.278 1.00 0.00 H new ATOM 61 N GLY A 4 -7.140 -10.891 -10.572 1.00 0.00 N ATOM 62 CA GLY A 4 -6.625 -9.515 -10.809 1.00 0.00 C ATOM 63 C GLY A 4 -6.657 -8.718 -9.508 1.00 0.00 C ATOM 64 O GLY A 4 -7.145 -7.606 -9.460 1.00 0.00 O ATOM 0 H GLY A 4 -7.612 -11.032 -9.679 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.606 -9.560 -11.193 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.230 -9.016 -11.566 1.00 0.00 H new ATOM 68 N ILE A 5 -6.127 -9.266 -8.452 1.00 0.00 N ATOM 69 CA ILE A 5 -6.109 -8.520 -7.171 1.00 0.00 C ATOM 70 C ILE A 5 -5.005 -7.470 -7.253 1.00 0.00 C ATOM 71 O ILE A 5 -3.855 -7.736 -6.941 1.00 0.00 O ATOM 72 CB ILE A 5 -5.821 -9.479 -6.018 1.00 0.00 C ATOM 73 CG1 ILE A 5 -6.587 -10.786 -6.237 1.00 0.00 C ATOM 74 CG2 ILE A 5 -6.265 -8.842 -4.702 1.00 0.00 C ATOM 75 CD1 ILE A 5 -6.517 -11.634 -4.966 1.00 0.00 C ATOM 0 H ILE A 5 -5.707 -10.195 -8.423 1.00 0.00 H new ATOM 0 HA ILE A 5 -7.074 -8.045 -6.996 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.752 -9.687 -5.978 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.626 -10.574 -6.489 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.161 -11.334 -7.077 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.060 -9.526 -3.879 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.719 -7.912 -4.545 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -7.334 -8.633 -4.742 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.062 -12.565 -5.120 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.476 -11.857 -4.734 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.964 -11.085 -4.137 1.00 0.00 H new ATOM 87 N VAL A 6 -5.336 -6.284 -7.690 1.00 0.00 N ATOM 88 CA VAL A 6 -4.296 -5.230 -7.808 1.00 0.00 C ATOM 89 C VAL A 6 -4.395 -4.277 -6.606 1.00 0.00 C ATOM 90 O VAL A 6 -5.435 -3.702 -6.341 1.00 0.00 O ATOM 91 CB VAL A 6 -4.476 -4.471 -9.141 1.00 0.00 C ATOM 92 CG1 VAL A 6 -5.360 -3.229 -8.969 1.00 0.00 C ATOM 93 CG2 VAL A 6 -3.102 -4.039 -9.665 1.00 0.00 C ATOM 0 H VAL A 6 -6.277 -6.004 -7.968 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.304 -5.682 -7.806 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.964 -5.141 -9.849 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.464 -2.721 -9.928 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.344 -3.530 -8.609 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.901 -2.553 -8.248 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.224 -3.503 -10.606 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.623 -3.387 -8.935 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.481 -4.920 -9.827 1.00 0.00 H new ATOM 103 N TRP A 7 -3.322 -4.108 -5.874 1.00 0.00 N ATOM 104 CA TRP A 7 -3.355 -3.195 -4.697 1.00 0.00 C ATOM 105 C TRP A 7 -2.773 -1.840 -5.098 1.00 0.00 C ATOM 106 O TRP A 7 -1.592 -1.596 -4.963 1.00 0.00 O ATOM 107 CB TRP A 7 -2.529 -3.785 -3.555 1.00 0.00 C ATOM 108 CG TRP A 7 -3.411 -3.976 -2.364 1.00 0.00 C ATOM 109 CD1 TRP A 7 -4.080 -2.989 -1.726 1.00 0.00 C ATOM 110 CD2 TRP A 7 -3.738 -5.210 -1.665 1.00 0.00 C ATOM 111 NE1 TRP A 7 -4.799 -3.541 -0.681 1.00 0.00 N ATOM 112 CE2 TRP A 7 -4.620 -4.908 -0.603 1.00 0.00 C ATOM 113 CE3 TRP A 7 -3.356 -6.549 -1.851 1.00 0.00 C ATOM 114 CZ2 TRP A 7 -5.109 -5.902 0.247 1.00 0.00 C ATOM 115 CZ3 TRP A 7 -3.845 -7.553 -0.999 1.00 0.00 C ATOM 116 CH2 TRP A 7 -4.720 -7.230 0.048 1.00 0.00 C ATOM 0 H TRP A 7 -2.426 -4.564 -6.043 1.00 0.00 H new ATOM 0 HA TRP A 7 -4.386 -3.072 -4.364 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -2.094 -4.738 -3.858 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -1.701 -3.121 -3.307 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -4.057 -1.942 -1.989 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -5.389 -3.004 -0.046 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -2.682 -6.808 -2.654 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -5.782 -5.647 1.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -3.545 -8.579 -1.151 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -5.093 -8.006 0.700 1.00 0.00 H new ATOM 127 N VAL A 8 -3.592 -0.962 -5.604 1.00 0.00 N ATOM 128 CA VAL A 8 -3.086 0.369 -6.035 1.00 0.00 C ATOM 129 C VAL A 8 -3.038 1.336 -4.848 1.00 0.00 C ATOM 130 O VAL A 8 -3.872 1.299 -3.964 1.00 0.00 O ATOM 131 CB VAL A 8 -4.023 0.930 -7.103 1.00 0.00 C ATOM 132 CG1 VAL A 8 -3.438 2.224 -7.669 1.00 0.00 C ATOM 133 CG2 VAL A 8 -4.180 -0.093 -8.230 1.00 0.00 C ATOM 0 H VAL A 8 -4.592 -1.110 -5.738 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.078 0.255 -6.434 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.997 1.136 -6.659 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.107 2.623 -8.431 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.325 2.953 -6.867 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.464 2.019 -8.113 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.848 0.306 -8.993 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.206 -0.299 -8.673 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.598 -1.016 -7.828 1.00 0.00 H new ATOM 143 N VAL A 9 -2.072 2.216 -4.837 1.00 0.00 N ATOM 144 CA VAL A 9 -1.968 3.207 -3.729 1.00 0.00 C ATOM 145 C VAL A 9 -2.734 4.468 -4.137 1.00 0.00 C ATOM 146 O VAL A 9 -2.892 4.748 -5.308 1.00 0.00 O ATOM 147 CB VAL A 9 -0.497 3.558 -3.490 1.00 0.00 C ATOM 148 CG1 VAL A 9 -0.360 4.312 -2.166 1.00 0.00 C ATOM 149 CG2 VAL A 9 0.330 2.271 -3.429 1.00 0.00 C ATOM 0 H VAL A 9 -1.348 2.290 -5.552 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.387 2.791 -2.813 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.137 4.186 -4.305 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.687 4.562 -1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.950 5.228 -2.206 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.720 3.684 -1.351 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.378 2.519 -3.259 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.031 1.645 -2.614 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.233 1.731 -4.371 1.00 0.00 H new ATOM 159 N ASP A 10 -3.217 5.230 -3.193 1.00 0.00 N ATOM 160 CA ASP A 10 -3.976 6.458 -3.558 1.00 0.00 C ATOM 161 C ASP A 10 -4.427 7.196 -2.285 1.00 0.00 C ATOM 162 O ASP A 10 -3.618 7.534 -1.446 1.00 0.00 O ATOM 163 CB ASP A 10 -5.186 6.055 -4.403 1.00 0.00 C ATOM 164 CG ASP A 10 -5.701 7.275 -5.170 1.00 0.00 C ATOM 165 OD1 ASP A 10 -5.896 8.305 -4.546 1.00 0.00 O ATOM 166 OD2 ASP A 10 -5.888 7.160 -6.371 1.00 0.00 O ATOM 0 H ASP A 10 -3.119 5.056 -2.193 1.00 0.00 H new ATOM 0 HA ASP A 10 -3.341 7.131 -4.133 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -4.909 5.264 -5.100 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.973 5.655 -3.763 1.00 0.00 H new ATOM 171 N ASP A 11 -5.705 7.466 -2.130 1.00 0.00 N ATOM 172 CA ASP A 11 -6.163 8.195 -0.912 1.00 0.00 C ATOM 173 C ASP A 11 -7.310 7.437 -0.230 1.00 0.00 C ATOM 174 O ASP A 11 -7.723 7.778 0.861 1.00 0.00 O ATOM 175 CB ASP A 11 -6.645 9.592 -1.310 1.00 0.00 C ATOM 176 CG ASP A 11 -6.276 10.591 -0.213 1.00 0.00 C ATOM 177 OD1 ASP A 11 -6.905 10.554 0.831 1.00 0.00 O ATOM 178 OD2 ASP A 11 -5.369 11.376 -0.436 1.00 0.00 O ATOM 0 H ASP A 11 -6.440 7.214 -2.790 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.329 8.272 -0.214 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.191 9.889 -2.255 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -7.724 9.586 -1.463 1.00 0.00 H new ATOM 183 N ASP A 12 -7.829 6.413 -0.852 1.00 0.00 N ATOM 184 CA ASP A 12 -8.946 5.649 -0.218 1.00 0.00 C ATOM 185 C ASP A 12 -10.022 6.615 0.272 1.00 0.00 C ATOM 186 O ASP A 12 -9.933 7.812 0.085 1.00 0.00 O ATOM 187 CB ASP A 12 -8.410 4.846 0.968 1.00 0.00 C ATOM 188 CG ASP A 12 -9.267 3.594 1.164 1.00 0.00 C ATOM 189 OD1 ASP A 12 -9.165 2.697 0.344 1.00 0.00 O ATOM 190 OD2 ASP A 12 -10.009 3.555 2.131 1.00 0.00 O ATOM 0 H ASP A 12 -7.531 6.073 -1.766 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.377 4.971 -0.955 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.372 4.565 0.791 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -8.426 5.456 1.871 1.00 0.00 H new ATOM 195 N SER A 13 -11.047 6.096 0.889 1.00 0.00 N ATOM 196 CA SER A 13 -12.144 6.973 1.387 1.00 0.00 C ATOM 197 C SER A 13 -12.917 7.526 0.188 1.00 0.00 C ATOM 198 O SER A 13 -13.697 8.451 0.305 1.00 0.00 O ATOM 199 CB SER A 13 -11.550 8.127 2.201 1.00 0.00 C ATOM 200 OG SER A 13 -11.709 9.348 1.490 1.00 0.00 O ATOM 0 H SER A 13 -11.173 5.100 1.070 1.00 0.00 H new ATOM 0 HA SER A 13 -12.817 6.401 2.025 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.044 8.193 3.170 1.00 0.00 H new ATOM 0 HB3 SER A 13 -10.493 7.942 2.394 1.00 0.00 H new ATOM 0 HG SER A 13 -12.662 9.511 1.329 1.00 0.00 H new ATOM 206 N SER A 14 -12.695 6.961 -0.966 1.00 0.00 N ATOM 207 CA SER A 14 -13.395 7.436 -2.190 1.00 0.00 C ATOM 208 C SER A 14 -12.629 6.934 -3.413 1.00 0.00 C ATOM 209 O SER A 14 -13.180 6.772 -4.483 1.00 0.00 O ATOM 210 CB SER A 14 -13.436 8.965 -2.197 1.00 0.00 C ATOM 211 OG SER A 14 -12.192 9.468 -1.731 1.00 0.00 O ATOM 0 H SER A 14 -12.052 6.183 -1.114 1.00 0.00 H new ATOM 0 HA SER A 14 -14.416 7.056 -2.209 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.635 9.331 -3.204 1.00 0.00 H new ATOM 0 HB3 SER A 14 -14.247 9.322 -1.562 1.00 0.00 H new ATOM 0 HG SER A 14 -12.213 10.448 -1.735 1.00 0.00 H new ATOM 217 N ILE A 15 -11.356 6.678 -3.255 1.00 0.00 N ATOM 218 CA ILE A 15 -10.546 6.174 -4.399 1.00 0.00 C ATOM 219 C ILE A 15 -10.750 4.666 -4.525 1.00 0.00 C ATOM 220 O ILE A 15 -10.844 4.132 -5.612 1.00 0.00 O ATOM 221 CB ILE A 15 -9.064 6.475 -4.156 1.00 0.00 C ATOM 222 CG1 ILE A 15 -8.859 7.990 -4.107 1.00 0.00 C ATOM 223 CG2 ILE A 15 -8.235 5.881 -5.297 1.00 0.00 C ATOM 224 CD1 ILE A 15 -9.123 8.590 -5.489 1.00 0.00 C ATOM 0 H ILE A 15 -10.844 6.797 -2.381 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.862 6.667 -5.318 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.748 6.035 -3.210 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.531 8.434 -3.373 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.842 8.219 -3.788 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.179 6.093 -5.128 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -8.387 4.802 -5.334 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.547 6.324 -6.243 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.976 9.669 -5.451 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.433 8.155 -6.212 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -10.148 8.374 -5.790 1.00 0.00 H new ATOM 236 N ARG A 16 -10.839 3.979 -3.422 1.00 0.00 N ATOM 237 CA ARG A 16 -11.062 2.510 -3.483 1.00 0.00 C ATOM 238 C ARG A 16 -12.444 2.273 -4.082 1.00 0.00 C ATOM 239 O ARG A 16 -12.668 1.332 -4.819 1.00 0.00 O ATOM 240 CB ARG A 16 -11.005 1.919 -2.073 1.00 0.00 C ATOM 241 CG ARG A 16 -10.906 0.395 -2.160 1.00 0.00 C ATOM 242 CD ARG A 16 -10.285 -0.150 -0.875 1.00 0.00 C ATOM 243 NE ARG A 16 -11.124 0.250 0.289 1.00 0.00 N ATOM 244 CZ ARG A 16 -11.659 -0.663 1.051 1.00 0.00 C ATOM 245 NH1 ARG A 16 -10.992 -1.749 1.334 1.00 0.00 N ATOM 246 NH2 ARG A 16 -12.860 -0.492 1.530 1.00 0.00 N ATOM 0 H ARG A 16 -10.767 4.370 -2.483 1.00 0.00 H new ATOM 0 HA ARG A 16 -10.294 2.033 -4.092 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.146 2.319 -1.534 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.895 2.204 -1.512 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.896 -0.036 -2.309 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.300 0.108 -3.019 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.210 -1.236 -0.927 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.272 0.234 -0.756 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.280 1.238 0.490 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -10.053 -1.883 0.959 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -11.410 -2.463 1.930 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.381 0.356 1.309 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -13.278 -1.207 2.126 1.00 0.00 H new ATOM 260 N TRP A 17 -13.370 3.141 -3.775 1.00 0.00 N ATOM 261 CA TRP A 17 -14.739 3.000 -4.328 1.00 0.00 C ATOM 262 C TRP A 17 -14.677 3.215 -5.839 1.00 0.00 C ATOM 263 O TRP A 17 -15.008 2.343 -6.606 1.00 0.00 O ATOM 264 CB TRP A 17 -15.653 4.053 -3.696 1.00 0.00 C ATOM 265 CG TRP A 17 -16.950 3.426 -3.298 1.00 0.00 C ATOM 266 CD1 TRP A 17 -17.119 2.581 -2.255 1.00 0.00 C ATOM 267 CD2 TRP A 17 -18.262 3.582 -3.915 1.00 0.00 C ATOM 268 NE1 TRP A 17 -18.450 2.209 -2.193 1.00 0.00 N ATOM 269 CE2 TRP A 17 -19.194 2.800 -3.194 1.00 0.00 C ATOM 270 CE3 TRP A 17 -18.727 4.321 -5.017 1.00 0.00 C ATOM 271 CZ2 TRP A 17 -20.542 2.753 -3.556 1.00 0.00 C ATOM 272 CZ3 TRP A 17 -20.082 4.275 -5.384 1.00 0.00 C ATOM 273 CH2 TRP A 17 -20.987 3.493 -4.655 1.00 0.00 C ATOM 0 H TRP A 17 -13.232 3.944 -3.162 1.00 0.00 H new ATOM 0 HA TRP A 17 -15.133 2.007 -4.109 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -15.168 4.492 -2.824 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -15.832 4.863 -4.403 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -16.342 2.251 -1.581 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -18.835 1.575 -1.493 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -18.038 4.928 -5.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -21.236 2.149 -2.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -20.428 4.846 -6.233 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -22.028 3.462 -4.942 1.00 0.00 H new ATOM 284 N VAL A 18 -14.286 4.385 -6.267 1.00 0.00 N ATOM 285 CA VAL A 18 -14.226 4.666 -7.730 1.00 0.00 C ATOM 286 C VAL A 18 -13.679 3.449 -8.485 1.00 0.00 C ATOM 287 O VAL A 18 -14.356 2.837 -9.290 1.00 0.00 O ATOM 288 CB VAL A 18 -13.282 5.847 -7.953 1.00 0.00 C ATOM 289 CG1 VAL A 18 -13.005 6.014 -9.451 1.00 0.00 C ATOM 290 CG2 VAL A 18 -13.929 7.123 -7.409 1.00 0.00 C ATOM 0 H VAL A 18 -14.005 5.159 -5.666 1.00 0.00 H new ATOM 0 HA VAL A 18 -15.227 4.891 -8.097 1.00 0.00 H new ATOM 0 HB VAL A 18 -12.342 5.661 -7.433 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -12.332 6.857 -9.605 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -12.544 5.106 -9.839 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.942 6.198 -9.976 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -13.258 7.967 -7.567 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -14.869 7.305 -7.930 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -14.122 7.007 -6.342 1.00 0.00 H new ATOM 300 N LEU A 19 -12.439 3.113 -8.233 1.00 0.00 N ATOM 301 CA LEU A 19 -11.800 1.958 -8.930 1.00 0.00 C ATOM 302 C LEU A 19 -12.556 0.659 -8.642 1.00 0.00 C ATOM 303 O LEU A 19 -13.253 0.142 -9.491 1.00 0.00 O ATOM 304 CB LEU A 19 -10.354 1.822 -8.444 1.00 0.00 C ATOM 305 CG LEU A 19 -9.415 2.477 -9.456 1.00 0.00 C ATOM 306 CD1 LEU A 19 -8.096 2.840 -8.774 1.00 0.00 C ATOM 307 CD2 LEU A 19 -9.145 1.503 -10.601 1.00 0.00 C ATOM 0 H LEU A 19 -11.837 3.596 -7.566 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.824 2.139 -10.005 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.241 2.294 -7.468 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.097 0.770 -8.321 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.879 3.382 -9.848 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.428 3.307 -9.498 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.288 3.535 -7.957 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.630 1.937 -8.380 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.475 1.968 -11.324 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.682 0.598 -10.207 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.085 1.246 -11.090 1.00 0.00 H new ATOM 319 N GLU A 20 -12.387 0.114 -7.465 1.00 0.00 N ATOM 320 CA GLU A 20 -13.061 -1.175 -7.111 1.00 0.00 C ATOM 321 C GLU A 20 -14.446 -1.258 -7.766 1.00 0.00 C ATOM 322 O GLU A 20 -14.919 -2.323 -8.110 1.00 0.00 O ATOM 323 CB GLU A 20 -13.210 -1.253 -5.590 1.00 0.00 C ATOM 324 CG GLU A 20 -13.632 -2.669 -5.191 1.00 0.00 C ATOM 325 CD GLU A 20 -14.325 -2.631 -3.830 1.00 0.00 C ATOM 326 OE1 GLU A 20 -14.948 -1.625 -3.533 1.00 0.00 O ATOM 327 OE2 GLU A 20 -14.223 -3.609 -3.107 1.00 0.00 O ATOM 0 H GLU A 20 -11.806 0.509 -6.726 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.457 -2.006 -7.474 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.268 -0.993 -5.108 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.952 -0.531 -5.249 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.304 -3.084 -5.942 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.760 -3.321 -5.149 1.00 0.00 H new ATOM 334 N ARG A 21 -15.089 -0.140 -7.952 1.00 0.00 N ATOM 335 CA ARG A 21 -16.432 -0.148 -8.596 1.00 0.00 C ATOM 336 C ARG A 21 -16.270 -0.581 -10.050 1.00 0.00 C ATOM 337 O ARG A 21 -16.860 -1.545 -10.493 1.00 0.00 O ATOM 338 CB ARG A 21 -17.039 1.256 -8.539 1.00 0.00 C ATOM 339 CG ARG A 21 -18.098 1.312 -7.438 1.00 0.00 C ATOM 340 CD ARG A 21 -19.374 1.951 -7.988 1.00 0.00 C ATOM 341 NE ARG A 21 -19.794 1.235 -9.225 1.00 0.00 N ATOM 342 CZ ARG A 21 -20.839 1.642 -9.893 1.00 0.00 C ATOM 343 NH1 ARG A 21 -20.767 2.713 -10.635 1.00 0.00 N ATOM 344 NH2 ARG A 21 -21.958 0.974 -9.818 1.00 0.00 N ATOM 0 H ARG A 21 -14.742 0.781 -7.685 1.00 0.00 H new ATOM 0 HA ARG A 21 -17.093 -0.839 -8.073 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -16.259 1.993 -8.346 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -17.486 1.509 -9.500 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -18.310 0.308 -7.072 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -17.726 1.888 -6.591 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -20.167 1.906 -7.242 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -19.201 3.005 -8.206 1.00 0.00 H new ATOM 0 HE ARG A 21 -19.265 0.426 -9.550 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -19.892 3.235 -10.694 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -21.585 3.029 -11.156 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -22.014 0.136 -9.239 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -22.776 1.290 -10.339 1.00 0.00 H new ATOM 358 N ALA A 22 -15.453 0.114 -10.795 1.00 0.00 N ATOM 359 CA ALA A 22 -15.235 -0.278 -12.213 1.00 0.00 C ATOM 360 C ALA A 22 -14.579 -1.661 -12.237 1.00 0.00 C ATOM 361 O ALA A 22 -14.505 -2.310 -13.261 1.00 0.00 O ATOM 362 CB ALA A 22 -14.312 0.738 -12.893 1.00 0.00 C ATOM 0 H ALA A 22 -14.930 0.932 -10.483 1.00 0.00 H new ATOM 0 HA ALA A 22 -16.186 -0.303 -12.744 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.154 0.448 -13.932 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.770 1.726 -12.858 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.354 0.764 -12.374 1.00 0.00 H new ATOM 368 N LEU A 23 -14.099 -2.114 -11.106 1.00 0.00 N ATOM 369 CA LEU A 23 -13.444 -3.449 -11.045 1.00 0.00 C ATOM 370 C LEU A 23 -14.514 -4.537 -10.918 1.00 0.00 C ATOM 371 O LEU A 23 -14.313 -5.666 -11.321 1.00 0.00 O ATOM 372 CB LEU A 23 -12.525 -3.505 -9.815 1.00 0.00 C ATOM 373 CG LEU A 23 -11.046 -3.427 -10.220 1.00 0.00 C ATOM 374 CD1 LEU A 23 -10.788 -4.209 -11.510 1.00 0.00 C ATOM 375 CD2 LEU A 23 -10.650 -1.966 -10.429 1.00 0.00 C ATOM 0 H LEU A 23 -14.135 -1.611 -10.219 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.862 -3.611 -11.952 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -12.764 -2.682 -9.142 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -12.706 -4.429 -9.265 1.00 0.00 H new ATOM 0 HG LEU A 23 -10.449 -3.867 -9.421 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.733 -4.137 -11.774 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.054 -5.255 -11.361 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.393 -3.792 -12.315 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.600 -1.911 -10.716 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -11.265 -1.531 -11.217 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.802 -1.412 -9.503 1.00 0.00 H new ATOM 387 N ALA A 24 -15.646 -4.206 -10.355 1.00 0.00 N ATOM 388 CA ALA A 24 -16.726 -5.224 -10.202 1.00 0.00 C ATOM 389 C ALA A 24 -17.079 -5.792 -11.576 1.00 0.00 C ATOM 390 O ALA A 24 -17.332 -6.972 -11.725 1.00 0.00 O ATOM 391 CB ALA A 24 -17.965 -4.571 -9.586 1.00 0.00 C ATOM 0 H ALA A 24 -15.869 -3.278 -9.996 1.00 0.00 H new ATOM 0 HA ALA A 24 -16.381 -6.027 -9.550 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -18.752 -5.317 -9.475 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -17.712 -4.162 -8.608 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -18.314 -3.768 -10.236 1.00 0.00 H new ATOM 397 N GLY A 25 -17.092 -4.965 -12.583 1.00 0.00 N ATOM 398 CA GLY A 25 -17.421 -5.460 -13.948 1.00 0.00 C ATOM 399 C GLY A 25 -16.158 -6.039 -14.583 1.00 0.00 C ATOM 400 O GLY A 25 -16.217 -6.911 -15.426 1.00 0.00 O ATOM 0 H GLY A 25 -16.889 -3.967 -12.520 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -18.199 -6.221 -13.895 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -17.812 -4.647 -14.560 1.00 0.00 H new ATOM 404 N ALA A 26 -15.012 -5.562 -14.177 1.00 0.00 N ATOM 405 CA ALA A 26 -13.741 -6.085 -14.750 1.00 0.00 C ATOM 406 C ALA A 26 -13.458 -7.471 -14.167 1.00 0.00 C ATOM 407 O ALA A 26 -12.667 -8.229 -14.695 1.00 0.00 O ATOM 408 CB ALA A 26 -12.593 -5.137 -14.400 1.00 0.00 C ATOM 0 H ALA A 26 -14.902 -4.832 -13.473 1.00 0.00 H new ATOM 0 HA ALA A 26 -13.830 -6.156 -15.834 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.663 -5.521 -14.820 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -12.798 -4.150 -14.814 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.499 -5.064 -13.317 1.00 0.00 H new ATOM 414 N GLY A 27 -14.104 -7.811 -13.086 1.00 0.00 N ATOM 415 CA GLY A 27 -13.880 -9.149 -12.470 1.00 0.00 C ATOM 416 C GLY A 27 -12.512 -9.195 -11.784 1.00 0.00 C ATOM 417 O GLY A 27 -11.828 -10.198 -11.818 1.00 0.00 O ATOM 0 H GLY A 27 -14.779 -7.219 -12.602 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -14.666 -9.359 -11.744 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.937 -9.923 -13.235 1.00 0.00 H new ATOM 421 N LEU A 28 -12.105 -8.125 -11.153 1.00 0.00 N ATOM 422 CA LEU A 28 -10.780 -8.138 -10.466 1.00 0.00 C ATOM 423 C LEU A 28 -10.894 -7.455 -9.104 1.00 0.00 C ATOM 424 O LEU A 28 -11.844 -6.754 -8.823 1.00 0.00 O ATOM 425 CB LEU A 28 -9.745 -7.403 -11.309 1.00 0.00 C ATOM 426 CG LEU A 28 -9.669 -8.035 -12.693 1.00 0.00 C ATOM 427 CD1 LEU A 28 -8.643 -7.282 -13.538 1.00 0.00 C ATOM 428 CD2 LEU A 28 -9.244 -9.495 -12.549 1.00 0.00 C ATOM 0 H LEU A 28 -12.626 -7.251 -11.084 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.467 -9.173 -10.331 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.012 -6.350 -11.394 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.770 -7.447 -10.824 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.643 -7.983 -13.180 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.587 -7.732 -14.529 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.943 -6.238 -13.630 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.666 -7.337 -13.058 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.187 -9.956 -13.535 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.267 -9.544 -12.068 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.975 -10.028 -11.941 1.00 0.00 H new ATOM 440 N THR A 29 -9.934 -7.674 -8.251 1.00 0.00 N ATOM 441 CA THR A 29 -9.984 -7.061 -6.893 1.00 0.00 C ATOM 442 C THR A 29 -9.003 -5.889 -6.806 1.00 0.00 C ATOM 443 O THR A 29 -7.915 -6.021 -6.279 1.00 0.00 O ATOM 444 CB THR A 29 -9.599 -8.119 -5.857 1.00 0.00 C ATOM 445 OG1 THR A 29 -10.631 -9.091 -5.771 1.00 0.00 O ATOM 446 CG2 THR A 29 -9.403 -7.457 -4.491 1.00 0.00 C ATOM 0 H THR A 29 -9.114 -8.252 -8.435 1.00 0.00 H new ATOM 0 HA THR A 29 -10.992 -6.694 -6.700 1.00 0.00 H new ATOM 0 HB THR A 29 -8.669 -8.600 -6.159 1.00 0.00 H new ATOM 0 HG1 THR A 29 -10.386 -9.771 -5.109 1.00 0.00 H new ATOM 0 HG21 THR A 29 -9.129 -8.214 -3.756 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.610 -6.712 -4.558 1.00 0.00 H new ATOM 0 HG23 THR A 29 -10.330 -6.973 -4.185 1.00 0.00 H new ATOM 454 N CYS A 30 -9.369 -4.745 -7.314 1.00 0.00 N ATOM 455 CA CYS A 30 -8.447 -3.584 -7.245 1.00 0.00 C ATOM 456 C CYS A 30 -8.544 -2.940 -5.863 1.00 0.00 C ATOM 457 O CYS A 30 -9.205 -1.937 -5.676 1.00 0.00 O ATOM 458 CB CYS A 30 -8.835 -2.569 -8.315 1.00 0.00 C ATOM 459 SG CYS A 30 -7.633 -1.215 -8.333 1.00 0.00 S ATOM 0 H CYS A 30 -10.263 -4.567 -7.771 1.00 0.00 H new ATOM 0 HA CYS A 30 -7.423 -3.916 -7.416 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -8.870 -3.051 -9.292 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -9.833 -2.180 -8.116 1.00 0.00 H new ATOM 0 HG CYS A 30 -7.226 -1.012 -9.551 1.00 0.00 H new ATOM 465 N THR A 31 -7.879 -3.505 -4.895 1.00 0.00 N ATOM 466 CA THR A 31 -7.920 -2.922 -3.526 1.00 0.00 C ATOM 467 C THR A 31 -6.999 -1.706 -3.491 1.00 0.00 C ATOM 468 O THR A 31 -5.864 -1.768 -3.911 1.00 0.00 O ATOM 469 CB THR A 31 -7.438 -3.965 -2.513 1.00 0.00 C ATOM 470 OG1 THR A 31 -8.069 -5.210 -2.778 1.00 0.00 O ATOM 471 CG2 THR A 31 -7.788 -3.503 -1.098 1.00 0.00 C ATOM 0 H THR A 31 -7.309 -4.345 -4.993 1.00 0.00 H new ATOM 0 HA THR A 31 -8.938 -2.625 -3.273 1.00 0.00 H new ATOM 0 HB THR A 31 -6.358 -4.082 -2.598 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.759 -5.878 -2.131 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.445 -4.245 -0.378 1.00 0.00 H new ATOM 0 HG22 THR A 31 -7.301 -2.549 -0.896 1.00 0.00 H new ATOM 0 HG23 THR A 31 -8.868 -3.385 -1.011 1.00 0.00 H new ATOM 479 N THR A 32 -7.468 -0.593 -3.013 1.00 0.00 N ATOM 480 CA THR A 32 -6.589 0.603 -2.987 1.00 0.00 C ATOM 481 C THR A 32 -6.488 1.161 -1.571 1.00 0.00 C ATOM 482 O THR A 32 -7.474 1.325 -0.880 1.00 0.00 O ATOM 483 CB THR A 32 -7.151 1.676 -3.911 1.00 0.00 C ATOM 484 OG1 THR A 32 -8.319 2.234 -3.328 1.00 0.00 O ATOM 485 CG2 THR A 32 -7.499 1.054 -5.264 1.00 0.00 C ATOM 0 H THR A 32 -8.409 -0.459 -2.643 1.00 0.00 H new ATOM 0 HA THR A 32 -5.595 0.309 -3.325 1.00 0.00 H new ATOM 0 HB THR A 32 -6.407 2.460 -4.056 1.00 0.00 H new ATOM 0 HG1 THR A 32 -8.411 3.168 -3.609 1.00 0.00 H new ATOM 0 HG21 THR A 32 -7.901 1.822 -5.925 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.601 0.626 -5.709 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.243 0.270 -5.123 1.00 0.00 H new ATOM 493 N PHE A 33 -5.297 1.470 -1.143 1.00 0.00 N ATOM 494 CA PHE A 33 -5.118 2.037 0.217 1.00 0.00 C ATOM 495 C PHE A 33 -4.800 3.523 0.082 1.00 0.00 C ATOM 496 O PHE A 33 -4.161 3.943 -0.858 1.00 0.00 O ATOM 497 CB PHE A 33 -3.968 1.317 0.919 1.00 0.00 C ATOM 498 CG PHE A 33 -4.511 0.121 1.669 1.00 0.00 C ATOM 499 CD1 PHE A 33 -5.704 -0.486 1.256 1.00 0.00 C ATOM 500 CD2 PHE A 33 -3.821 -0.380 2.777 1.00 0.00 C ATOM 501 CE1 PHE A 33 -6.204 -1.593 1.952 1.00 0.00 C ATOM 502 CE2 PHE A 33 -4.320 -1.487 3.474 1.00 0.00 C ATOM 503 CZ PHE A 33 -5.512 -2.094 3.060 1.00 0.00 C ATOM 0 H PHE A 33 -4.438 1.353 -1.680 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.026 1.907 0.806 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.225 0.996 0.189 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.466 1.996 1.608 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.238 -0.100 0.400 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.901 0.088 3.096 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -7.124 -2.060 1.634 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.786 -1.872 4.330 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.897 -2.949 3.596 1.00 0.00 H new ATOM 513 N GLU A 34 -5.254 4.327 0.998 1.00 0.00 N ATOM 514 CA GLU A 34 -4.988 5.787 0.896 1.00 0.00 C ATOM 515 C GLU A 34 -3.481 6.057 0.974 1.00 0.00 C ATOM 516 O GLU A 34 -3.035 7.169 0.773 1.00 0.00 O ATOM 517 CB GLU A 34 -5.692 6.511 2.044 1.00 0.00 C ATOM 518 CG GLU A 34 -5.087 6.066 3.376 1.00 0.00 C ATOM 519 CD GLU A 34 -5.002 7.265 4.322 1.00 0.00 C ATOM 520 OE1 GLU A 34 -5.028 8.383 3.832 1.00 0.00 O ATOM 521 OE2 GLU A 34 -4.912 7.046 5.518 1.00 0.00 O ATOM 0 H GLU A 34 -5.797 4.038 1.812 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.365 6.151 -0.059 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.586 7.590 1.927 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.760 6.291 2.026 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.698 5.280 3.821 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.095 5.645 3.215 1.00 0.00 H new ATOM 528 N ASN A 35 -2.687 5.061 1.274 1.00 0.00 N ATOM 529 CA ASN A 35 -1.217 5.297 1.365 1.00 0.00 C ATOM 530 C ASN A 35 -0.450 3.997 1.101 1.00 0.00 C ATOM 531 O ASN A 35 -0.814 2.936 1.577 1.00 0.00 O ATOM 532 CB ASN A 35 -0.876 5.813 2.764 1.00 0.00 C ATOM 533 CG ASN A 35 -1.039 7.333 2.799 1.00 0.00 C ATOM 534 OD1 ASN A 35 -2.096 7.835 3.125 1.00 0.00 O ATOM 535 ND2 ASN A 35 -0.029 8.093 2.473 1.00 0.00 N ATOM 0 H ASN A 35 -2.990 4.105 1.458 1.00 0.00 H new ATOM 0 HA ASN A 35 -0.929 6.034 0.615 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.529 5.349 3.504 1.00 0.00 H new ATOM 0 HB3 ASN A 35 0.146 5.540 3.025 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.128 9.108 2.492 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.859 7.672 2.199 1.00 0.00 H new ATOM 542 N GLY A 36 0.622 4.078 0.357 1.00 0.00 N ATOM 543 CA GLY A 36 1.429 2.859 0.073 1.00 0.00 C ATOM 544 C GLY A 36 1.853 2.229 1.391 1.00 0.00 C ATOM 545 O GLY A 36 2.079 1.042 1.477 1.00 0.00 O ATOM 0 H GLY A 36 0.972 4.938 -0.066 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.846 2.149 -0.513 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.306 3.118 -0.520 1.00 0.00 H new ATOM 549 N ASN A 37 1.950 3.013 2.428 1.00 0.00 N ATOM 550 CA ASN A 37 2.341 2.438 3.737 1.00 0.00 C ATOM 551 C ASN A 37 1.352 1.322 4.079 1.00 0.00 C ATOM 552 O ASN A 37 1.628 0.160 3.877 1.00 0.00 O ATOM 553 CB ASN A 37 2.304 3.529 4.812 1.00 0.00 C ATOM 554 CG ASN A 37 2.734 2.940 6.156 1.00 0.00 C ATOM 555 OD1 ASN A 37 2.382 1.824 6.485 1.00 0.00 O ATOM 556 ND2 ASN A 37 3.486 3.648 6.952 1.00 0.00 N ATOM 0 H ASN A 37 1.776 4.018 2.423 1.00 0.00 H new ATOM 0 HA ASN A 37 3.353 2.037 3.691 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.966 4.349 4.535 1.00 0.00 H new ATOM 0 HB3 ASN A 37 1.299 3.943 4.890 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.779 3.265 7.851 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.781 4.584 6.676 1.00 0.00 H new ATOM 563 N GLU A 38 0.203 1.674 4.598 1.00 0.00 N ATOM 564 CA GLU A 38 -0.818 0.648 4.961 1.00 0.00 C ATOM 565 C GLU A 38 -0.812 -0.509 3.949 1.00 0.00 C ATOM 566 O GLU A 38 -0.827 -1.666 4.320 1.00 0.00 O ATOM 567 CB GLU A 38 -2.198 1.310 4.955 1.00 0.00 C ATOM 568 CG GLU A 38 -2.365 2.148 6.225 1.00 0.00 C ATOM 569 CD GLU A 38 -3.535 1.606 7.047 1.00 0.00 C ATOM 570 OE1 GLU A 38 -4.666 1.910 6.705 1.00 0.00 O ATOM 571 OE2 GLU A 38 -3.281 0.894 8.005 1.00 0.00 O ATOM 0 H GLU A 38 -0.073 2.638 4.787 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.585 0.248 5.948 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.307 1.941 4.073 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.978 0.550 4.902 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.449 2.119 6.815 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.543 3.191 5.964 1.00 0.00 H new ATOM 578 N VAL A 39 -0.799 -0.209 2.673 1.00 0.00 N ATOM 579 CA VAL A 39 -0.800 -1.304 1.656 1.00 0.00 C ATOM 580 C VAL A 39 0.294 -2.313 2.025 1.00 0.00 C ATOM 581 O VAL A 39 0.047 -3.495 2.161 1.00 0.00 O ATOM 582 CB VAL A 39 -0.558 -0.695 0.252 1.00 0.00 C ATOM 583 CG1 VAL A 39 0.470 -1.508 -0.543 1.00 0.00 C ATOM 584 CG2 VAL A 39 -1.874 -0.683 -0.531 1.00 0.00 C ATOM 0 H VAL A 39 -0.788 0.738 2.295 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.760 -1.820 1.639 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.177 0.317 0.389 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.615 -1.052 -1.523 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.418 -1.522 -0.005 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.109 -2.529 -0.668 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.706 -0.255 -1.519 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.244 -1.703 -0.636 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.610 -0.083 0.004 1.00 0.00 H new ATOM 594 N LEU A 40 1.497 -1.847 2.190 1.00 0.00 N ATOM 595 CA LEU A 40 2.613 -2.758 2.556 1.00 0.00 C ATOM 596 C LEU A 40 2.353 -3.353 3.941 1.00 0.00 C ATOM 597 O LEU A 40 2.813 -4.430 4.264 1.00 0.00 O ATOM 598 CB LEU A 40 3.916 -1.961 2.580 1.00 0.00 C ATOM 599 CG LEU A 40 5.096 -2.927 2.638 1.00 0.00 C ATOM 600 CD1 LEU A 40 6.312 -2.289 1.976 1.00 0.00 C ATOM 601 CD2 LEU A 40 5.414 -3.250 4.097 1.00 0.00 C ATOM 0 H LEU A 40 1.757 -0.866 2.086 1.00 0.00 H new ATOM 0 HA LEU A 40 2.686 -3.564 1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.988 -1.333 1.692 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.933 -1.295 3.443 1.00 0.00 H new ATOM 0 HG LEU A 40 4.842 -3.846 2.110 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.154 -2.980 2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.082 -2.061 0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.571 -1.369 2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.257 -3.940 4.142 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.669 -2.332 4.626 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.544 -3.709 4.566 1.00 0.00 H new ATOM 613 N ALA A 41 1.618 -2.654 4.762 1.00 0.00 N ATOM 614 CA ALA A 41 1.323 -3.168 6.128 1.00 0.00 C ATOM 615 C ALA A 41 0.356 -4.348 6.030 1.00 0.00 C ATOM 616 O ALA A 41 0.279 -5.177 6.916 1.00 0.00 O ATOM 617 CB ALA A 41 0.684 -2.051 6.955 1.00 0.00 C ATOM 0 H ALA A 41 1.208 -1.746 4.544 1.00 0.00 H new ATOM 0 HA ALA A 41 2.246 -3.497 6.606 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.465 -2.420 7.957 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.372 -1.208 7.021 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.241 -1.728 6.477 1.00 0.00 H new ATOM 623 N ALA A 42 -0.389 -4.431 4.961 1.00 0.00 N ATOM 624 CA ALA A 42 -1.353 -5.557 4.812 1.00 0.00 C ATOM 625 C ALA A 42 -0.729 -6.664 3.959 1.00 0.00 C ATOM 626 O ALA A 42 -1.113 -7.814 4.046 1.00 0.00 O ATOM 627 CB ALA A 42 -2.625 -5.044 4.134 1.00 0.00 C ATOM 0 H ALA A 42 -0.371 -3.768 4.186 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.597 -5.959 5.795 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.334 -5.864 4.022 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.071 -4.259 4.744 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.377 -4.643 3.151 1.00 0.00 H new ATOM 633 N LEU A 43 0.225 -6.334 3.131 1.00 0.00 N ATOM 634 CA LEU A 43 0.860 -7.373 2.277 1.00 0.00 C ATOM 635 C LEU A 43 2.014 -8.031 3.031 1.00 0.00 C ATOM 636 O LEU A 43 2.595 -8.993 2.571 1.00 0.00 O ATOM 637 CB LEU A 43 1.386 -6.718 1.006 1.00 0.00 C ATOM 638 CG LEU A 43 0.457 -7.052 -0.164 1.00 0.00 C ATOM 639 CD1 LEU A 43 -1.007 -6.911 0.268 1.00 0.00 C ATOM 640 CD2 LEU A 43 0.730 -6.094 -1.320 1.00 0.00 C ATOM 0 H LEU A 43 0.591 -5.389 3.010 1.00 0.00 H new ATOM 0 HA LEU A 43 0.124 -8.135 2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.446 -5.638 1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.396 -7.070 0.794 1.00 0.00 H new ATOM 0 HG LEU A 43 0.642 -8.079 -0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.659 -7.151 -0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.211 -7.595 1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.194 -5.887 0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.069 -6.332 -2.153 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.549 -5.070 -0.994 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.767 -6.196 -1.640 1.00 0.00 H new ATOM 652 N ALA A 44 2.347 -7.519 4.185 1.00 0.00 N ATOM 653 CA ALA A 44 3.461 -8.115 4.979 1.00 0.00 C ATOM 654 C ALA A 44 3.390 -9.639 4.885 1.00 0.00 C ATOM 655 O ALA A 44 4.390 -10.324 4.954 1.00 0.00 O ATOM 656 CB ALA A 44 3.330 -7.690 6.443 1.00 0.00 C ATOM 0 H ALA A 44 1.895 -6.712 4.614 1.00 0.00 H new ATOM 0 HA ALA A 44 4.416 -7.767 4.584 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.144 -8.126 7.023 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.377 -6.603 6.512 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.376 -8.038 6.839 1.00 0.00 H new ATOM 662 N SER A 45 2.210 -10.172 4.712 1.00 0.00 N ATOM 663 CA SER A 45 2.069 -11.649 4.596 1.00 0.00 C ATOM 664 C SER A 45 2.414 -12.067 3.164 1.00 0.00 C ATOM 665 O SER A 45 3.157 -13.002 2.941 1.00 0.00 O ATOM 666 CB SER A 45 0.629 -12.053 4.919 1.00 0.00 C ATOM 667 OG SER A 45 0.620 -12.874 6.081 1.00 0.00 O ATOM 0 H SER A 45 1.338 -9.646 4.646 1.00 0.00 H new ATOM 0 HA SER A 45 2.742 -12.143 5.297 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.018 -11.165 5.082 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.192 -12.590 4.077 1.00 0.00 H new ATOM 0 HG SER A 45 -0.301 -13.133 6.291 1.00 0.00 H new ATOM 673 N LYS A 46 1.884 -11.375 2.188 1.00 0.00 N ATOM 674 CA LYS A 46 2.190 -11.729 0.773 1.00 0.00 C ATOM 675 C LYS A 46 1.272 -10.953 -0.174 1.00 0.00 C ATOM 676 O LYS A 46 0.161 -10.600 0.169 1.00 0.00 O ATOM 677 CB LYS A 46 1.976 -13.227 0.570 1.00 0.00 C ATOM 678 CG LYS A 46 3.327 -13.900 0.338 1.00 0.00 C ATOM 679 CD LYS A 46 3.676 -13.847 -1.149 1.00 0.00 C ATOM 680 CE LYS A 46 4.990 -14.592 -1.392 1.00 0.00 C ATOM 681 NZ LYS A 46 4.707 -16.034 -1.640 1.00 0.00 N ATOM 0 H LYS A 46 1.254 -10.582 2.311 1.00 0.00 H new ATOM 0 HA LYS A 46 3.226 -11.470 0.556 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.487 -13.658 1.443 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.319 -13.400 -0.282 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.099 -13.399 0.921 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.292 -14.935 0.677 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.876 -14.297 -1.737 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.767 -12.811 -1.475 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.512 -14.161 -2.246 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.647 -14.483 -0.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.601 -16.540 -1.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.227 -16.441 -0.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.096 -16.129 -2.476 1.00 0.00 H new ATOM 695 N THR A 47 1.729 -10.694 -1.370 1.00 0.00 N ATOM 696 CA THR A 47 0.887 -9.952 -2.353 1.00 0.00 C ATOM 697 C THR A 47 0.014 -10.954 -3.109 1.00 0.00 C ATOM 698 O THR A 47 0.268 -12.142 -3.070 1.00 0.00 O ATOM 699 CB THR A 47 1.797 -9.213 -3.338 1.00 0.00 C ATOM 700 OG1 THR A 47 2.856 -8.588 -2.624 1.00 0.00 O ATOM 701 CG2 THR A 47 0.992 -8.156 -4.095 1.00 0.00 C ATOM 0 H THR A 47 2.652 -10.965 -1.709 1.00 0.00 H new ATOM 0 HA THR A 47 0.254 -9.230 -1.837 1.00 0.00 H new ATOM 0 HB THR A 47 2.210 -9.925 -4.053 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.546 -9.252 -2.415 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.645 -7.633 -4.794 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.184 -8.639 -4.644 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.573 -7.441 -3.387 1.00 0.00 H new ATOM 709 N PRO A 48 -0.995 -10.451 -3.771 1.00 0.00 N ATOM 710 CA PRO A 48 -1.872 -11.386 -4.508 1.00 0.00 C ATOM 711 C PRO A 48 -1.587 -11.340 -6.016 1.00 0.00 C ATOM 712 O PRO A 48 -1.039 -12.272 -6.571 1.00 0.00 O ATOM 713 CB PRO A 48 -3.290 -10.908 -4.206 1.00 0.00 C ATOM 714 CG PRO A 48 -3.168 -9.427 -3.807 1.00 0.00 C ATOM 715 CD PRO A 48 -1.707 -9.208 -3.378 1.00 0.00 C ATOM 0 HA PRO A 48 -1.713 -12.421 -4.205 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.934 -11.025 -5.078 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -3.735 -11.493 -3.401 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.428 -8.778 -4.643 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.851 -9.187 -2.992 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -1.278 -8.336 -3.872 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -1.634 -9.035 -2.304 1.00 0.00 H new ATOM 723 N ASP A 49 -1.958 -10.281 -6.693 1.00 0.00 N ATOM 724 CA ASP A 49 -1.700 -10.233 -8.160 1.00 0.00 C ATOM 725 C ASP A 49 -0.625 -9.190 -8.483 1.00 0.00 C ATOM 726 O ASP A 49 0.502 -9.529 -8.785 1.00 0.00 O ATOM 727 CB ASP A 49 -2.994 -9.882 -8.897 1.00 0.00 C ATOM 728 CG ASP A 49 -3.567 -11.144 -9.551 1.00 0.00 C ATOM 729 OD1 ASP A 49 -2.886 -12.156 -9.541 1.00 0.00 O ATOM 730 OD2 ASP A 49 -4.677 -11.076 -10.052 1.00 0.00 O ATOM 0 H ASP A 49 -2.421 -9.462 -6.299 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.346 -11.211 -8.485 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.718 -9.459 -8.201 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.799 -9.123 -9.655 1.00 0.00 H new ATOM 735 N VAL A 50 -0.960 -7.930 -8.442 1.00 0.00 N ATOM 736 CA VAL A 50 0.056 -6.883 -8.772 1.00 0.00 C ATOM 737 C VAL A 50 -0.147 -5.658 -7.884 1.00 0.00 C ATOM 738 O VAL A 50 -1.256 -5.305 -7.547 1.00 0.00 O ATOM 739 CB VAL A 50 -0.098 -6.480 -10.243 1.00 0.00 C ATOM 740 CG1 VAL A 50 0.572 -5.125 -10.497 1.00 0.00 C ATOM 741 CG2 VAL A 50 0.564 -7.536 -11.125 1.00 0.00 C ATOM 0 H VAL A 50 -1.886 -7.579 -8.197 1.00 0.00 H new ATOM 0 HA VAL A 50 1.055 -7.283 -8.600 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.159 -6.403 -10.479 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.455 -4.852 -11.546 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.106 -4.365 -9.870 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.633 -5.193 -10.256 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.457 -7.254 -12.172 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.622 -7.608 -10.875 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.086 -8.501 -10.958 1.00 0.00 H new ATOM 751 N LEU A 51 0.919 -5.004 -7.507 1.00 0.00 N ATOM 752 CA LEU A 51 0.780 -3.798 -6.641 1.00 0.00 C ATOM 753 C LEU A 51 0.931 -2.530 -7.486 1.00 0.00 C ATOM 754 O LEU A 51 1.922 -2.338 -8.162 1.00 0.00 O ATOM 755 CB LEU A 51 1.861 -3.813 -5.561 1.00 0.00 C ATOM 756 CG LEU A 51 1.201 -3.783 -4.183 1.00 0.00 C ATOM 757 CD1 LEU A 51 2.126 -4.443 -3.165 1.00 0.00 C ATOM 758 CD2 LEU A 51 0.939 -2.333 -3.766 1.00 0.00 C ATOM 0 H LEU A 51 1.876 -5.251 -7.760 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.205 -3.808 -6.175 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.479 -4.705 -5.661 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.521 -2.954 -5.679 1.00 0.00 H new ATOM 0 HG LEU A 51 0.255 -4.323 -4.224 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.658 -4.423 -2.181 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.311 -5.477 -3.458 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.071 -3.902 -3.128 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.468 -2.316 -2.783 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.883 -1.790 -3.725 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.279 -1.859 -4.492 1.00 0.00 H new ATOM 770 N LEU A 52 -0.042 -1.662 -7.445 1.00 0.00 N ATOM 771 CA LEU A 52 0.044 -0.401 -8.235 1.00 0.00 C ATOM 772 C LEU A 52 0.255 0.777 -7.282 1.00 0.00 C ATOM 773 O LEU A 52 0.079 0.657 -6.085 1.00 0.00 O ATOM 774 CB LEU A 52 -1.257 -0.198 -9.015 1.00 0.00 C ATOM 775 CG LEU A 52 -1.010 -0.467 -10.500 1.00 0.00 C ATOM 776 CD1 LEU A 52 -2.089 -1.409 -11.032 1.00 0.00 C ATOM 777 CD2 LEU A 52 -1.058 0.853 -11.273 1.00 0.00 C ATOM 0 H LEU A 52 -0.895 -1.772 -6.897 1.00 0.00 H new ATOM 0 HA LEU A 52 0.879 -0.462 -8.933 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.028 -0.869 -8.637 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.622 0.819 -8.875 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.030 -0.927 -10.628 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.914 -1.602 -12.091 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.055 -2.349 -10.482 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.069 -0.949 -10.904 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.882 0.661 -12.331 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.038 1.314 -11.146 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.289 1.525 -10.893 1.00 0.00 H new ATOM 789 N SER A 53 0.630 1.915 -7.796 1.00 0.00 N ATOM 790 CA SER A 53 0.847 3.095 -6.910 1.00 0.00 C ATOM 791 C SER A 53 0.489 4.377 -7.664 1.00 0.00 C ATOM 792 O SER A 53 1.040 4.671 -8.707 1.00 0.00 O ATOM 793 CB SER A 53 2.313 3.147 -6.480 1.00 0.00 C ATOM 794 OG SER A 53 2.574 2.083 -5.576 1.00 0.00 O ATOM 0 H SER A 53 0.796 2.080 -8.789 1.00 0.00 H new ATOM 0 HA SER A 53 0.213 3.006 -6.028 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.963 3.067 -7.351 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.531 4.104 -6.006 1.00 0.00 H new ATOM 0 HG SER A 53 3.514 2.112 -5.299 1.00 0.00 H new ATOM 800 N ASP A 54 -0.431 5.143 -7.144 1.00 0.00 N ATOM 801 CA ASP A 54 -0.826 6.406 -7.828 1.00 0.00 C ATOM 802 C ASP A 54 0.230 7.481 -7.557 1.00 0.00 C ATOM 803 O ASP A 54 1.283 7.206 -7.016 1.00 0.00 O ATOM 804 CB ASP A 54 -2.184 6.872 -7.298 1.00 0.00 C ATOM 805 CG ASP A 54 -3.298 6.240 -8.135 1.00 0.00 C ATOM 806 OD1 ASP A 54 -3.662 5.112 -7.847 1.00 0.00 O ATOM 807 OD2 ASP A 54 -3.768 6.894 -9.051 1.00 0.00 O ATOM 0 H ASP A 54 -0.926 4.948 -6.274 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.900 6.233 -8.902 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.295 6.589 -6.251 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.251 7.959 -7.343 1.00 0.00 H new ATOM 812 N ILE A 55 -0.039 8.702 -7.931 1.00 0.00 N ATOM 813 CA ILE A 55 0.955 9.788 -7.695 1.00 0.00 C ATOM 814 C ILE A 55 0.223 11.081 -7.330 1.00 0.00 C ATOM 815 O ILE A 55 0.042 11.955 -8.154 1.00 0.00 O ATOM 816 CB ILE A 55 1.772 10.009 -8.968 1.00 0.00 C ATOM 817 CG1 ILE A 55 2.760 11.158 -8.750 1.00 0.00 C ATOM 818 CG2 ILE A 55 0.831 10.361 -10.122 1.00 0.00 C ATOM 819 CD1 ILE A 55 3.494 10.958 -7.421 1.00 0.00 C ATOM 0 H ILE A 55 -0.902 8.994 -8.389 1.00 0.00 H new ATOM 0 HA ILE A 55 1.618 9.504 -6.878 1.00 0.00 H new ATOM 0 HB ILE A 55 2.321 9.099 -9.209 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.476 11.196 -9.571 1.00 0.00 H new ATOM 0 HG13 ILE A 55 2.230 12.111 -8.745 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.412 10.519 -11.030 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.127 9.544 -10.279 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.283 11.271 -9.880 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.197 11.777 -7.267 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.771 10.942 -6.605 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.037 10.013 -7.444 1.00 0.00 H new ATOM 831 N ARG A 56 -0.200 11.210 -6.104 1.00 0.00 N ATOM 832 CA ARG A 56 -0.919 12.448 -5.691 1.00 0.00 C ATOM 833 C ARG A 56 -0.119 13.162 -4.602 1.00 0.00 C ATOM 834 O ARG A 56 1.031 12.855 -4.359 1.00 0.00 O ATOM 835 CB ARG A 56 -2.302 12.078 -5.155 1.00 0.00 C ATOM 836 CG ARG A 56 -3.186 11.606 -6.310 1.00 0.00 C ATOM 837 CD ARG A 56 -4.458 10.967 -5.751 1.00 0.00 C ATOM 838 NE ARG A 56 -5.587 11.934 -5.853 1.00 0.00 N ATOM 839 CZ ARG A 56 -5.387 13.200 -5.600 1.00 0.00 C ATOM 840 NH1 ARG A 56 -4.877 13.560 -4.454 1.00 0.00 N ATOM 841 NH2 ARG A 56 -5.695 14.104 -6.490 1.00 0.00 N ATOM 0 H ARG A 56 -0.079 10.512 -5.370 1.00 0.00 H new ATOM 0 HA ARG A 56 -1.030 13.110 -6.550 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.215 11.292 -4.405 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.756 12.939 -4.664 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.442 12.448 -6.954 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.645 10.887 -6.925 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.694 10.057 -6.303 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.306 10.678 -4.711 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.516 11.608 -6.120 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.636 12.854 -3.759 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.720 14.548 -4.254 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.093 13.823 -7.386 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.538 15.092 -6.289 1.00 0.00 H new ATOM 855 N MET A 57 -0.719 14.116 -3.942 1.00 0.00 N ATOM 856 CA MET A 57 0.009 14.850 -2.869 1.00 0.00 C ATOM 857 C MET A 57 1.248 15.523 -3.462 1.00 0.00 C ATOM 858 O MET A 57 2.337 14.988 -3.397 1.00 0.00 O ATOM 859 CB MET A 57 0.436 13.867 -1.778 1.00 0.00 C ATOM 860 CG MET A 57 -0.628 12.778 -1.626 1.00 0.00 C ATOM 861 SD MET A 57 -0.467 12.003 0.003 1.00 0.00 S ATOM 862 CE MET A 57 -0.664 10.288 -0.540 1.00 0.00 C ATOM 0 H MET A 57 -1.680 14.418 -4.100 1.00 0.00 H new ATOM 0 HA MET A 57 -0.646 15.608 -2.439 1.00 0.00 H new ATOM 0 HB2 MET A 57 1.396 13.419 -2.033 1.00 0.00 H new ATOM 0 HB3 MET A 57 0.571 14.393 -0.833 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.623 13.208 -1.740 1.00 0.00 H new ATOM 0 HG3 MET A 57 -0.513 12.030 -2.410 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.530 9.847 -0.047 1.00 0.00 H new ATOM 0 HE2 MET A 57 -0.810 10.263 -1.620 1.00 0.00 H new ATOM 0 HE3 MET A 57 0.229 9.719 -0.281 1.00 0.00 H new ATOM 872 N PRO A 58 1.038 16.683 -4.023 1.00 0.00 N ATOM 873 CA PRO A 58 2.177 17.410 -4.623 1.00 0.00 C ATOM 874 C PRO A 58 3.141 17.876 -3.527 1.00 0.00 C ATOM 875 O PRO A 58 2.771 18.618 -2.639 1.00 0.00 O ATOM 876 CB PRO A 58 1.537 18.609 -5.324 1.00 0.00 C ATOM 877 CG PRO A 58 0.178 18.838 -4.636 1.00 0.00 C ATOM 878 CD PRO A 58 -0.178 17.526 -3.918 1.00 0.00 C ATOM 0 HA PRO A 58 2.757 16.792 -5.309 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.170 19.492 -5.239 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.406 18.413 -6.388 1.00 0.00 H new ATOM 0 HG2 PRO A 58 0.237 19.664 -3.927 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.587 19.099 -5.367 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -0.443 17.707 -2.876 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.035 17.041 -4.386 1.00 0.00 H new ATOM 886 N GLY A 59 4.372 17.444 -3.581 1.00 0.00 N ATOM 887 CA GLY A 59 5.352 17.863 -2.538 1.00 0.00 C ATOM 888 C GLY A 59 6.752 17.956 -3.149 1.00 0.00 C ATOM 889 O GLY A 59 7.178 19.004 -3.592 1.00 0.00 O ATOM 0 H GLY A 59 4.741 16.821 -4.300 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.063 18.827 -2.121 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.351 17.147 -1.716 1.00 0.00 H new ATOM 893 N MET A 60 7.472 16.868 -3.172 1.00 0.00 N ATOM 894 CA MET A 60 8.845 16.894 -3.750 1.00 0.00 C ATOM 895 C MET A 60 8.858 16.114 -5.066 1.00 0.00 C ATOM 896 O MET A 60 8.595 16.655 -6.122 1.00 0.00 O ATOM 897 CB MET A 60 9.823 16.254 -2.760 1.00 0.00 C ATOM 898 CG MET A 60 11.202 16.121 -3.409 1.00 0.00 C ATOM 899 SD MET A 60 12.474 16.071 -2.121 1.00 0.00 S ATOM 900 CE MET A 60 12.494 17.841 -1.750 1.00 0.00 C ATOM 0 H MET A 60 7.168 15.962 -2.815 1.00 0.00 H new ATOM 0 HA MET A 60 9.144 17.925 -3.940 1.00 0.00 H new ATOM 0 HB2 MET A 60 9.892 16.862 -1.858 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.458 15.273 -2.456 1.00 0.00 H new ATOM 0 HG2 MET A 60 11.245 15.215 -4.013 1.00 0.00 H new ATOM 0 HG3 MET A 60 11.382 16.961 -4.080 1.00 0.00 H new ATOM 0 HE1 MET A 60 13.522 18.204 -1.765 1.00 0.00 H new ATOM 0 HE2 MET A 60 11.909 18.376 -2.498 1.00 0.00 H new ATOM 0 HE3 MET A 60 12.063 18.011 -0.763 1.00 0.00 H new ATOM 910 N ASP A 61 9.158 14.844 -5.012 1.00 0.00 N ATOM 911 CA ASP A 61 9.181 14.032 -6.260 1.00 0.00 C ATOM 912 C ASP A 61 7.907 13.186 -6.343 1.00 0.00 C ATOM 913 O ASP A 61 7.717 12.424 -7.268 1.00 0.00 O ATOM 914 CB ASP A 61 10.405 13.111 -6.250 1.00 0.00 C ATOM 915 CG ASP A 61 11.575 13.807 -6.949 1.00 0.00 C ATOM 916 OD1 ASP A 61 11.504 13.968 -8.156 1.00 0.00 O ATOM 917 OD2 ASP A 61 12.518 14.168 -6.265 1.00 0.00 O ATOM 0 H ASP A 61 9.388 14.335 -4.158 1.00 0.00 H new ATOM 0 HA ASP A 61 9.234 14.696 -7.123 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.677 12.862 -5.224 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.172 12.174 -6.755 1.00 0.00 H new ATOM 922 N GLY A 62 7.033 13.314 -5.382 1.00 0.00 N ATOM 923 CA GLY A 62 5.775 12.517 -5.405 1.00 0.00 C ATOM 924 C GLY A 62 5.287 12.301 -3.975 1.00 0.00 C ATOM 925 O GLY A 62 4.538 13.093 -3.437 1.00 0.00 O ATOM 0 H GLY A 62 7.137 13.937 -4.581 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.013 13.036 -5.987 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.948 11.557 -5.891 1.00 0.00 H new ATOM 929 N LEU A 63 5.708 11.236 -3.354 1.00 0.00 N ATOM 930 CA LEU A 63 5.268 10.972 -1.954 1.00 0.00 C ATOM 931 C LEU A 63 5.821 9.628 -1.465 1.00 0.00 C ATOM 932 O LEU A 63 5.257 9.009 -0.588 1.00 0.00 O ATOM 933 CB LEU A 63 3.738 10.930 -1.910 1.00 0.00 C ATOM 934 CG LEU A 63 3.212 10.174 -3.133 1.00 0.00 C ATOM 935 CD1 LEU A 63 3.660 8.713 -3.066 1.00 0.00 C ATOM 936 CD2 LEU A 63 1.683 10.236 -3.151 1.00 0.00 C ATOM 0 H LEU A 63 6.336 10.538 -3.752 1.00 0.00 H new ATOM 0 HA LEU A 63 5.643 11.766 -1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.403 10.441 -0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.336 11.943 -1.895 1.00 0.00 H new ATOM 0 HG LEU A 63 3.608 10.633 -4.039 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.284 8.177 -3.938 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.749 8.667 -3.053 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.266 8.253 -2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.307 9.698 -4.021 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.290 9.778 -2.244 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.362 11.276 -3.201 1.00 0.00 H new ATOM 948 N ALA A 64 6.917 9.170 -2.010 1.00 0.00 N ATOM 949 CA ALA A 64 7.479 7.865 -1.558 1.00 0.00 C ATOM 950 C ALA A 64 6.415 6.772 -1.731 1.00 0.00 C ATOM 951 O ALA A 64 5.671 6.780 -2.688 1.00 0.00 O ATOM 952 CB ALA A 64 7.882 7.970 -0.085 1.00 0.00 C ATOM 0 H ALA A 64 7.445 9.641 -2.745 1.00 0.00 H new ATOM 0 HA ALA A 64 8.357 7.613 -2.153 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.293 7.017 0.248 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.634 8.751 0.032 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.006 8.217 0.515 1.00 0.00 H new ATOM 958 N LEU A 65 6.341 5.840 -0.810 1.00 0.00 N ATOM 959 CA LEU A 65 5.329 4.740 -0.899 1.00 0.00 C ATOM 960 C LEU A 65 5.801 3.654 -1.866 1.00 0.00 C ATOM 961 O LEU A 65 6.067 2.543 -1.469 1.00 0.00 O ATOM 962 CB LEU A 65 3.974 5.281 -1.364 1.00 0.00 C ATOM 963 CG LEU A 65 3.542 6.419 -0.443 1.00 0.00 C ATOM 964 CD1 LEU A 65 2.166 6.930 -0.869 1.00 0.00 C ATOM 965 CD2 LEU A 65 3.471 5.907 0.999 1.00 0.00 C ATOM 0 H LEU A 65 6.947 5.795 0.009 1.00 0.00 H new ATOM 0 HA LEU A 65 5.216 4.311 0.097 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.045 5.637 -2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.229 4.486 -1.353 1.00 0.00 H new ATOM 0 HG LEU A 65 4.265 7.232 -0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.860 7.742 -0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.215 7.294 -1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.441 6.119 -0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.163 6.718 1.658 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.748 5.094 1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.452 5.544 1.305 1.00 0.00 H new ATOM 977 N LEU A 66 5.897 3.946 -3.131 1.00 0.00 N ATOM 978 CA LEU A 66 6.345 2.896 -4.090 1.00 0.00 C ATOM 979 C LEU A 66 7.718 2.376 -3.663 1.00 0.00 C ATOM 980 O LEU A 66 8.013 1.204 -3.784 1.00 0.00 O ATOM 981 CB LEU A 66 6.423 3.488 -5.503 1.00 0.00 C ATOM 982 CG LEU A 66 6.976 2.447 -6.484 1.00 0.00 C ATOM 983 CD1 LEU A 66 8.499 2.374 -6.355 1.00 0.00 C ATOM 984 CD2 LEU A 66 6.371 1.073 -6.180 1.00 0.00 C ATOM 0 H LEU A 66 5.688 4.856 -3.541 1.00 0.00 H new ATOM 0 HA LEU A 66 5.632 2.071 -4.091 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.433 3.812 -5.825 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.062 4.371 -5.500 1.00 0.00 H new ATOM 0 HG LEU A 66 6.712 2.740 -7.500 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.888 1.633 -7.054 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.931 3.349 -6.582 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.765 2.088 -5.337 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.768 0.338 -6.880 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.627 0.780 -5.162 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.287 1.122 -6.281 1.00 0.00 H new ATOM 996 N LYS A 67 8.563 3.224 -3.147 1.00 0.00 N ATOM 997 CA LYS A 67 9.897 2.736 -2.702 1.00 0.00 C ATOM 998 C LYS A 67 9.675 1.792 -1.520 1.00 0.00 C ATOM 999 O LYS A 67 10.409 0.844 -1.309 1.00 0.00 O ATOM 1000 CB LYS A 67 10.767 3.920 -2.273 1.00 0.00 C ATOM 1001 CG LYS A 67 12.182 3.429 -1.953 1.00 0.00 C ATOM 1002 CD LYS A 67 12.967 3.241 -3.253 1.00 0.00 C ATOM 1003 CE LYS A 67 14.277 2.506 -2.958 1.00 0.00 C ATOM 1004 NZ LYS A 67 15.423 3.304 -3.480 1.00 0.00 N ATOM 0 H LYS A 67 8.391 4.221 -3.015 1.00 0.00 H new ATOM 0 HA LYS A 67 10.406 2.216 -3.513 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.801 4.666 -3.067 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.333 4.405 -1.399 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.690 4.148 -1.310 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.136 2.488 -1.405 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.373 2.674 -3.970 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.176 4.210 -3.707 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.386 2.352 -1.884 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.266 1.520 -3.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.313 2.805 -3.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.320 3.429 -4.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 15.437 4.235 -3.018 1.00 0.00 H new ATOM 1018 N GLN A 68 8.644 2.046 -0.760 1.00 0.00 N ATOM 1019 CA GLN A 68 8.319 1.181 0.408 1.00 0.00 C ATOM 1020 C GLN A 68 7.843 -0.188 -0.109 1.00 0.00 C ATOM 1021 O GLN A 68 8.481 -1.199 0.112 1.00 0.00 O ATOM 1022 CB GLN A 68 7.217 1.874 1.228 1.00 0.00 C ATOM 1023 CG GLN A 68 6.517 0.877 2.152 1.00 0.00 C ATOM 1024 CD GLN A 68 7.438 0.525 3.323 1.00 0.00 C ATOM 1025 OE1 GLN A 68 8.559 -0.103 3.094 1.00 0.00 O flip ATOM 1026 NE2 GLN A 68 7.133 0.825 4.460 1.00 0.00 N flip ATOM 0 H GLN A 68 8.005 2.828 -0.902 1.00 0.00 H new ATOM 0 HA GLN A 68 9.192 1.028 1.043 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.651 2.681 1.819 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.488 2.327 0.556 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.586 1.304 2.525 1.00 0.00 H new ATOM 0 HG3 GLN A 68 6.255 -0.025 1.599 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.257 1.316 4.640 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.753 0.586 5.234 1.00 0.00 H new ATOM 1035 N ILE A 69 6.721 -0.222 -0.787 1.00 0.00 N ATOM 1036 CA ILE A 69 6.178 -1.505 -1.324 1.00 0.00 C ATOM 1037 C ILE A 69 7.299 -2.424 -1.824 1.00 0.00 C ATOM 1038 O ILE A 69 7.140 -3.621 -1.889 1.00 0.00 O ATOM 1039 CB ILE A 69 5.231 -1.174 -2.472 1.00 0.00 C ATOM 1040 CG1 ILE A 69 4.824 -2.470 -3.197 1.00 0.00 C ATOM 1041 CG2 ILE A 69 5.900 -0.193 -3.439 1.00 0.00 C ATOM 1042 CD1 ILE A 69 5.755 -2.751 -4.382 1.00 0.00 C ATOM 0 H ILE A 69 6.152 0.599 -0.993 1.00 0.00 H new ATOM 0 HA ILE A 69 5.654 -2.033 -0.528 1.00 0.00 H new ATOM 0 HB ILE A 69 4.332 -0.701 -2.077 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.855 -3.307 -2.499 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.796 -2.387 -3.549 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.215 0.037 -4.255 1.00 0.00 H new ATOM 0 HG22 ILE A 69 6.154 0.725 -2.909 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.808 -0.642 -3.842 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.446 -3.672 -4.877 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.703 -1.924 -5.090 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.779 -2.858 -4.023 1.00 0.00 H new ATOM 1054 N LYS A 70 8.427 -1.891 -2.194 1.00 0.00 N ATOM 1055 CA LYS A 70 9.521 -2.776 -2.685 1.00 0.00 C ATOM 1056 C LYS A 70 10.384 -3.219 -1.499 1.00 0.00 C ATOM 1057 O LYS A 70 10.399 -4.375 -1.123 1.00 0.00 O ATOM 1058 CB LYS A 70 10.386 -2.012 -3.690 1.00 0.00 C ATOM 1059 CG LYS A 70 11.055 -3.005 -4.644 1.00 0.00 C ATOM 1060 CD LYS A 70 10.265 -3.070 -5.952 1.00 0.00 C ATOM 1061 CE LYS A 70 10.559 -4.394 -6.657 1.00 0.00 C ATOM 1062 NZ LYS A 70 9.424 -4.735 -7.559 1.00 0.00 N ATOM 0 H LYS A 70 8.640 -0.894 -2.179 1.00 0.00 H new ATOM 0 HA LYS A 70 9.091 -3.652 -3.172 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.773 -1.307 -4.252 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.143 -1.429 -3.166 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.082 -2.699 -4.842 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.100 -3.993 -4.185 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.198 -2.982 -5.750 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.537 -2.234 -6.596 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.483 -4.317 -7.230 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.705 -5.186 -5.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.671 -5.570 -8.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.578 -4.941 -6.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.229 -3.932 -8.191 1.00 0.00 H new ATOM 1076 N GLN A 71 11.117 -2.305 -0.930 1.00 0.00 N ATOM 1077 CA GLN A 71 12.014 -2.636 0.218 1.00 0.00 C ATOM 1078 C GLN A 71 11.409 -3.717 1.129 1.00 0.00 C ATOM 1079 O GLN A 71 12.129 -4.465 1.760 1.00 0.00 O ATOM 1080 CB GLN A 71 12.241 -1.370 1.046 1.00 0.00 C ATOM 1081 CG GLN A 71 13.678 -0.883 0.851 1.00 0.00 C ATOM 1082 CD GLN A 71 14.635 -1.785 1.631 1.00 0.00 C ATOM 1083 OE1 GLN A 71 14.656 -2.985 1.434 1.00 0.00 O ATOM 1084 NE2 GLN A 71 15.436 -1.255 2.515 1.00 0.00 N ATOM 0 H GLN A 71 11.135 -1.326 -1.215 1.00 0.00 H new ATOM 0 HA GLN A 71 12.951 -3.020 -0.187 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.538 -0.594 0.743 1.00 0.00 H new ATOM 0 HB3 GLN A 71 12.055 -1.574 2.100 1.00 0.00 H new ATOM 0 HG2 GLN A 71 13.935 -0.892 -0.208 1.00 0.00 H new ATOM 0 HG3 GLN A 71 13.773 0.148 1.193 1.00 0.00 H new ATOM 0 HE21 GLN A 71 15.419 -0.249 2.680 1.00 0.00 H new ATOM 0 HE22 GLN A 71 16.079 -1.847 3.040 1.00 0.00 H new ATOM 1093 N ARG A 72 10.107 -3.796 1.240 1.00 0.00 N ATOM 1094 CA ARG A 72 9.513 -4.820 2.158 1.00 0.00 C ATOM 1095 C ARG A 72 8.886 -5.988 1.380 1.00 0.00 C ATOM 1096 O ARG A 72 9.372 -7.100 1.441 1.00 0.00 O ATOM 1097 CB ARG A 72 8.443 -4.162 3.031 1.00 0.00 C ATOM 1098 CG ARG A 72 8.658 -4.559 4.493 1.00 0.00 C ATOM 1099 CD ARG A 72 9.627 -3.577 5.154 1.00 0.00 C ATOM 1100 NE ARG A 72 10.974 -4.205 5.255 1.00 0.00 N ATOM 1101 CZ ARG A 72 12.027 -3.466 5.477 1.00 0.00 C ATOM 1102 NH1 ARG A 72 12.196 -2.906 6.643 1.00 0.00 N ATOM 1103 NH2 ARG A 72 12.909 -3.287 4.533 1.00 0.00 N ATOM 0 H ARG A 72 9.437 -3.207 0.745 1.00 0.00 H new ATOM 0 HA ARG A 72 10.316 -5.220 2.777 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.491 -3.078 2.927 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.451 -4.470 2.702 1.00 0.00 H new ATOM 0 HG2 ARG A 72 7.706 -4.559 5.024 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.056 -5.572 4.551 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.685 -2.658 4.571 1.00 0.00 H new ATOM 0 HD3 ARG A 72 9.266 -3.304 6.145 1.00 0.00 H new ATOM 0 HE ARG A 72 11.074 -5.215 5.150 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.506 -3.046 7.381 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.019 -2.329 6.817 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.776 -3.724 3.621 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.732 -2.710 4.707 1.00 0.00 H new ATOM 1117 N HIS A 73 7.802 -5.750 0.679 1.00 0.00 N ATOM 1118 CA HIS A 73 7.121 -6.852 -0.083 1.00 0.00 C ATOM 1119 C HIS A 73 8.149 -7.862 -0.611 1.00 0.00 C ATOM 1120 O HIS A 73 9.291 -7.521 -0.849 1.00 0.00 O ATOM 1121 CB HIS A 73 6.351 -6.260 -1.264 1.00 0.00 C ATOM 1122 CG HIS A 73 5.187 -5.437 -0.770 1.00 0.00 C ATOM 1123 ND1 HIS A 73 5.339 -4.146 -0.294 1.00 0.00 N ATOM 1124 CD2 HIS A 73 3.837 -5.687 -0.731 1.00 0.00 C ATOM 1125 CE1 HIS A 73 4.111 -3.671 -0.012 1.00 0.00 C ATOM 1126 NE2 HIS A 73 3.162 -4.571 -0.257 1.00 0.00 N ATOM 0 H HIS A 73 7.356 -4.836 0.600 1.00 0.00 H new ATOM 0 HA HIS A 73 6.435 -7.364 0.592 1.00 0.00 H new ATOM 0 HB2 HIS A 73 7.015 -5.639 -1.865 1.00 0.00 H new ATOM 0 HB3 HIS A 73 5.991 -7.061 -1.910 1.00 0.00 H new ATOM 0 HD1 HIS A 73 6.220 -3.646 -0.178 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.370 -6.615 -1.026 1.00 0.00 H new ATOM 0 HE1 HIS A 73 3.919 -2.678 0.368 1.00 0.00 H new ATOM 1134 N PRO A 74 7.702 -9.083 -0.767 1.00 0.00 N ATOM 1135 CA PRO A 74 8.620 -10.134 -1.263 1.00 0.00 C ATOM 1136 C PRO A 74 9.186 -9.768 -2.641 1.00 0.00 C ATOM 1137 O PRO A 74 10.294 -9.280 -2.752 1.00 0.00 O ATOM 1138 CB PRO A 74 7.757 -11.393 -1.347 1.00 0.00 C ATOM 1139 CG PRO A 74 6.300 -10.909 -1.449 1.00 0.00 C ATOM 1140 CD PRO A 74 6.276 -9.475 -0.898 1.00 0.00 C ATOM 0 HA PRO A 74 9.482 -10.266 -0.609 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.029 -11.994 -2.215 1.00 0.00 H new ATOM 0 HB3 PRO A 74 7.898 -12.021 -0.467 1.00 0.00 H new ATOM 0 HG2 PRO A 74 5.955 -10.933 -2.483 1.00 0.00 H new ATOM 0 HG3 PRO A 74 5.636 -11.556 -0.876 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.744 -8.803 -1.572 1.00 0.00 H new ATOM 0 HD3 PRO A 74 5.766 -9.432 0.064 1.00 0.00 H new ATOM 1148 N MET A 75 8.448 -10.003 -3.695 1.00 0.00 N ATOM 1149 CA MET A 75 8.978 -9.667 -5.047 1.00 0.00 C ATOM 1150 C MET A 75 7.969 -10.060 -6.132 1.00 0.00 C ATOM 1151 O MET A 75 7.860 -11.209 -6.509 1.00 0.00 O ATOM 1152 CB MET A 75 10.285 -10.430 -5.276 1.00 0.00 C ATOM 1153 CG MET A 75 10.193 -11.804 -4.609 1.00 0.00 C ATOM 1154 SD MET A 75 11.174 -13.000 -5.546 1.00 0.00 S ATOM 1155 CE MET A 75 10.577 -14.487 -4.706 1.00 0.00 C ATOM 0 H MET A 75 7.512 -10.408 -3.678 1.00 0.00 H new ATOM 0 HA MET A 75 9.153 -8.593 -5.101 1.00 0.00 H new ATOM 0 HB2 MET A 75 10.471 -10.543 -6.344 1.00 0.00 H new ATOM 0 HB3 MET A 75 11.124 -9.869 -4.864 1.00 0.00 H new ATOM 0 HG2 MET A 75 10.555 -11.746 -3.583 1.00 0.00 H new ATOM 0 HG3 MET A 75 9.153 -12.128 -4.563 1.00 0.00 H new ATOM 0 HE1 MET A 75 11.061 -15.365 -5.133 1.00 0.00 H new ATOM 0 HE2 MET A 75 10.812 -14.424 -3.644 1.00 0.00 H new ATOM 0 HE3 MET A 75 9.498 -14.569 -4.835 1.00 0.00 H new ATOM 1165 N LEU A 76 7.241 -9.105 -6.646 1.00 0.00 N ATOM 1166 CA LEU A 76 6.247 -9.404 -7.718 1.00 0.00 C ATOM 1167 C LEU A 76 6.182 -8.198 -8.670 1.00 0.00 C ATOM 1168 O LEU A 76 6.944 -7.265 -8.517 1.00 0.00 O ATOM 1169 CB LEU A 76 4.885 -9.679 -7.074 1.00 0.00 C ATOM 1170 CG LEU A 76 4.301 -8.381 -6.524 1.00 0.00 C ATOM 1171 CD1 LEU A 76 2.907 -8.155 -7.114 1.00 0.00 C ATOM 1172 CD2 LEU A 76 4.199 -8.489 -5.001 1.00 0.00 C ATOM 0 H LEU A 76 7.292 -8.125 -6.368 1.00 0.00 H new ATOM 0 HA LEU A 76 6.538 -10.286 -8.288 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.206 -10.111 -7.809 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.993 -10.409 -6.271 1.00 0.00 H new ATOM 0 HG LEU A 76 4.945 -7.544 -6.794 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.491 -7.228 -6.720 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.978 -8.089 -8.200 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.258 -8.988 -6.843 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.783 -7.566 -4.598 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.551 -9.325 -4.738 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.191 -8.653 -4.581 1.00 0.00 H new ATOM 1184 N PRO A 77 5.298 -8.251 -9.638 1.00 0.00 N ATOM 1185 CA PRO A 77 5.250 -7.106 -10.578 1.00 0.00 C ATOM 1186 C PRO A 77 4.501 -5.913 -9.973 1.00 0.00 C ATOM 1187 O PRO A 77 3.523 -6.061 -9.260 1.00 0.00 O ATOM 1188 CB PRO A 77 4.517 -7.641 -11.807 1.00 0.00 C ATOM 1189 CG PRO A 77 3.691 -8.845 -11.326 1.00 0.00 C ATOM 1190 CD PRO A 77 4.283 -9.279 -9.976 1.00 0.00 C ATOM 0 HA PRO A 77 6.248 -6.739 -10.817 1.00 0.00 H new ATOM 0 HB2 PRO A 77 3.873 -6.875 -12.240 1.00 0.00 H new ATOM 0 HB3 PRO A 77 5.223 -7.939 -12.582 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.640 -8.575 -11.218 1.00 0.00 H new ATOM 0 HG3 PRO A 77 3.738 -9.660 -12.049 1.00 0.00 H new ATOM 0 HD2 PRO A 77 3.511 -9.335 -9.209 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.735 -10.268 -10.046 1.00 0.00 H new ATOM 1198 N VAL A 78 4.967 -4.726 -10.258 1.00 0.00 N ATOM 1199 CA VAL A 78 4.315 -3.505 -9.719 1.00 0.00 C ATOM 1200 C VAL A 78 4.229 -2.452 -10.826 1.00 0.00 C ATOM 1201 O VAL A 78 4.976 -2.483 -11.785 1.00 0.00 O ATOM 1202 CB VAL A 78 5.149 -2.948 -8.562 1.00 0.00 C ATOM 1203 CG1 VAL A 78 4.580 -3.442 -7.232 1.00 0.00 C ATOM 1204 CG2 VAL A 78 6.606 -3.409 -8.695 1.00 0.00 C ATOM 0 H VAL A 78 5.781 -4.552 -10.848 1.00 0.00 H new ATOM 0 HA VAL A 78 3.315 -3.753 -9.363 1.00 0.00 H new ATOM 0 HB VAL A 78 5.113 -1.859 -8.593 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.176 -3.044 -6.411 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.549 -3.104 -7.129 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.609 -4.531 -7.206 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.191 -3.008 -7.868 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.646 -4.498 -8.674 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.017 -3.049 -9.638 1.00 0.00 H new ATOM 1214 N ILE A 79 3.331 -1.515 -10.699 1.00 0.00 N ATOM 1215 CA ILE A 79 3.206 -0.455 -11.740 1.00 0.00 C ATOM 1216 C ILE A 79 2.885 0.878 -11.058 1.00 0.00 C ATOM 1217 O ILE A 79 2.193 0.926 -10.060 1.00 0.00 O ATOM 1218 CB ILE A 79 2.089 -0.828 -12.725 1.00 0.00 C ATOM 1219 CG1 ILE A 79 2.633 -1.839 -13.740 1.00 0.00 C ATOM 1220 CG2 ILE A 79 1.602 0.422 -13.468 1.00 0.00 C ATOM 1221 CD1 ILE A 79 1.640 -1.991 -14.894 1.00 0.00 C ATOM 0 H ILE A 79 2.678 -1.437 -9.919 1.00 0.00 H new ATOM 0 HA ILE A 79 4.142 -0.363 -12.291 1.00 0.00 H new ATOM 0 HB ILE A 79 1.255 -1.262 -12.174 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.599 -1.505 -14.119 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.796 -2.803 -13.257 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.810 0.146 -14.164 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.218 1.146 -12.749 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.432 0.864 -14.020 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.028 -2.710 -15.615 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.684 -2.344 -14.507 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.500 -1.027 -15.383 1.00 0.00 H new ATOM 1233 N ILE A 80 3.389 1.958 -11.585 1.00 0.00 N ATOM 1234 CA ILE A 80 3.121 3.285 -10.966 1.00 0.00 C ATOM 1235 C ILE A 80 2.588 4.247 -12.031 1.00 0.00 C ATOM 1236 O ILE A 80 3.059 4.271 -13.150 1.00 0.00 O ATOM 1237 CB ILE A 80 4.422 3.840 -10.382 1.00 0.00 C ATOM 1238 CG1 ILE A 80 4.209 5.289 -9.939 1.00 0.00 C ATOM 1239 CG2 ILE A 80 5.519 3.788 -11.448 1.00 0.00 C ATOM 1240 CD1 ILE A 80 4.834 5.498 -8.559 1.00 0.00 C ATOM 0 H ILE A 80 3.976 1.979 -12.419 1.00 0.00 H new ATOM 0 HA ILE A 80 2.380 3.177 -10.174 1.00 0.00 H new ATOM 0 HB ILE A 80 4.719 3.240 -9.522 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.659 5.971 -10.661 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.144 5.517 -9.906 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.447 4.183 -11.035 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.672 2.756 -11.762 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.220 4.388 -12.307 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.682 6.530 -8.243 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.364 4.826 -7.841 1.00 0.00 H new ATOM 0 HD13 ILE A 80 5.902 5.287 -8.608 1.00 0.00 H new ATOM 1252 N MET A 81 1.607 5.039 -11.692 1.00 0.00 N ATOM 1253 CA MET A 81 1.046 5.997 -12.686 1.00 0.00 C ATOM 1254 C MET A 81 2.052 7.124 -12.929 1.00 0.00 C ATOM 1255 O MET A 81 2.729 7.568 -12.022 1.00 0.00 O ATOM 1256 CB MET A 81 -0.261 6.586 -12.150 1.00 0.00 C ATOM 1257 CG MET A 81 -1.435 6.068 -12.984 1.00 0.00 C ATOM 1258 SD MET A 81 -2.831 5.689 -11.894 1.00 0.00 S ATOM 1259 CE MET A 81 -2.289 4.033 -11.403 1.00 0.00 C ATOM 0 H MET A 81 1.170 5.064 -10.770 1.00 0.00 H new ATOM 0 HA MET A 81 0.850 5.475 -13.623 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.395 6.310 -11.104 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.225 7.675 -12.190 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.728 6.815 -13.722 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.138 5.176 -13.535 1.00 0.00 H new ATOM 0 HE1 MET A 81 -3.017 3.601 -10.716 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.205 3.401 -12.287 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.319 4.099 -10.910 1.00 0.00 H new ATOM 1269 N THR A 82 2.155 7.590 -14.142 1.00 0.00 N ATOM 1270 CA THR A 82 3.117 8.691 -14.437 1.00 0.00 C ATOM 1271 C THR A 82 2.390 10.034 -14.347 1.00 0.00 C ATOM 1272 O THR A 82 1.204 10.091 -14.095 1.00 0.00 O ATOM 1273 CB THR A 82 3.686 8.512 -15.848 1.00 0.00 C ATOM 1274 OG1 THR A 82 3.495 7.166 -16.265 1.00 0.00 O ATOM 1275 CG2 THR A 82 5.180 8.842 -15.846 1.00 0.00 C ATOM 0 H THR A 82 1.616 7.258 -14.942 1.00 0.00 H new ATOM 0 HA THR A 82 3.932 8.666 -13.714 1.00 0.00 H new ATOM 0 HB THR A 82 3.171 9.183 -16.536 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.708 7.085 -17.218 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.582 8.714 -16.851 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.324 9.874 -15.526 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.699 8.174 -15.159 1.00 0.00 H new ATOM 1283 N ALA A 83 3.092 11.114 -14.550 1.00 0.00 N ATOM 1284 CA ALA A 83 2.436 12.449 -14.475 1.00 0.00 C ATOM 1285 C ALA A 83 3.505 13.542 -14.417 1.00 0.00 C ATOM 1286 O ALA A 83 3.545 14.429 -15.247 1.00 0.00 O ATOM 1287 CB ALA A 83 1.569 12.519 -13.216 1.00 0.00 C ATOM 0 H ALA A 83 4.089 11.130 -14.764 1.00 0.00 H new ATOM 0 HA ALA A 83 1.813 12.597 -15.357 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.088 13.495 -13.159 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.807 11.741 -13.255 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.194 12.371 -12.335 1.00 0.00 H new ATOM 1293 N HIS A 84 4.371 13.486 -13.443 1.00 0.00 N ATOM 1294 CA HIS A 84 5.436 14.522 -13.332 1.00 0.00 C ATOM 1295 C HIS A 84 6.383 14.156 -12.189 1.00 0.00 C ATOM 1296 O HIS A 84 7.585 14.094 -12.360 1.00 0.00 O ATOM 1297 CB HIS A 84 4.795 15.881 -13.043 1.00 0.00 C ATOM 1298 CG HIS A 84 5.320 16.902 -14.013 1.00 0.00 C ATOM 1299 ND1 HIS A 84 4.548 17.402 -15.050 1.00 0.00 N ATOM 1300 CD2 HIS A 84 6.537 17.528 -14.116 1.00 0.00 C ATOM 1301 CE1 HIS A 84 5.301 18.288 -15.725 1.00 0.00 C ATOM 1302 NE2 HIS A 84 6.522 18.404 -15.198 1.00 0.00 N ATOM 0 H HIS A 84 4.387 12.768 -12.719 1.00 0.00 H new ATOM 0 HA HIS A 84 5.994 14.573 -14.267 1.00 0.00 H new ATOM 0 HB2 HIS A 84 3.711 15.808 -13.127 1.00 0.00 H new ATOM 0 HB3 HIS A 84 5.015 16.189 -12.021 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.378 17.366 -13.458 1.00 0.00 H new ATOM 0 HE1 HIS A 84 4.959 18.839 -16.589 1.00 0.00 H new ATOM 0 HE2 HIS A 84 7.281 19.005 -15.519 1.00 0.00 H new ATOM 1310 N SER A 85 5.851 13.917 -11.021 1.00 0.00 N ATOM 1311 CA SER A 85 6.721 13.559 -9.867 1.00 0.00 C ATOM 1312 C SER A 85 6.519 12.084 -9.508 1.00 0.00 C ATOM 1313 O SER A 85 5.500 11.698 -8.970 1.00 0.00 O ATOM 1314 CB SER A 85 6.357 14.431 -8.665 1.00 0.00 C ATOM 1315 OG SER A 85 5.463 15.456 -9.081 1.00 0.00 O ATOM 0 H SER A 85 4.852 13.954 -10.817 1.00 0.00 H new ATOM 0 HA SER A 85 7.764 13.726 -10.135 1.00 0.00 H new ATOM 0 HB2 SER A 85 5.895 13.823 -7.887 1.00 0.00 H new ATOM 0 HB3 SER A 85 7.257 14.870 -8.234 1.00 0.00 H new ATOM 0 HG SER A 85 5.226 16.016 -8.312 1.00 0.00 H new ATOM 1321 N ASP A 86 7.490 11.261 -9.801 1.00 0.00 N ATOM 1322 CA ASP A 86 7.375 9.808 -9.482 1.00 0.00 C ATOM 1323 C ASP A 86 8.482 9.054 -10.220 1.00 0.00 C ATOM 1324 O ASP A 86 9.096 8.156 -9.680 1.00 0.00 O ATOM 1325 CB ASP A 86 6.013 9.281 -9.939 1.00 0.00 C ATOM 1326 CG ASP A 86 5.741 9.738 -11.373 1.00 0.00 C ATOM 1327 OD1 ASP A 86 5.501 10.919 -11.562 1.00 0.00 O ATOM 1328 OD2 ASP A 86 5.781 8.900 -12.259 1.00 0.00 O ATOM 0 H ASP A 86 8.364 11.535 -10.251 1.00 0.00 H new ATOM 0 HA ASP A 86 7.471 9.661 -8.406 1.00 0.00 H new ATOM 0 HB2 ASP A 86 5.996 8.193 -9.884 1.00 0.00 H new ATOM 0 HB3 ASP A 86 5.229 9.646 -9.275 1.00 0.00 H new ATOM 1333 N LEU A 87 8.720 9.411 -11.458 1.00 0.00 N ATOM 1334 CA LEU A 87 9.772 8.726 -12.268 1.00 0.00 C ATOM 1335 C LEU A 87 10.954 8.329 -11.378 1.00 0.00 C ATOM 1336 O LEU A 87 11.624 7.346 -11.622 1.00 0.00 O ATOM 1337 CB LEU A 87 10.264 9.684 -13.357 1.00 0.00 C ATOM 1338 CG LEU A 87 11.190 8.934 -14.316 1.00 0.00 C ATOM 1339 CD1 LEU A 87 10.387 7.891 -15.094 1.00 0.00 C ATOM 1340 CD2 LEU A 87 11.817 9.927 -15.297 1.00 0.00 C ATOM 0 H LEU A 87 8.224 10.157 -11.946 1.00 0.00 H new ATOM 0 HA LEU A 87 9.349 7.827 -12.717 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.416 10.098 -13.903 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.793 10.524 -12.906 1.00 0.00 H new ATOM 0 HG LEU A 87 11.975 8.436 -13.747 1.00 0.00 H new ATOM 0 HD11 LEU A 87 11.048 7.358 -15.777 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.938 7.183 -14.397 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.601 8.387 -15.664 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.477 9.395 -15.981 1.00 0.00 H new ATOM 0 HD22 LEU A 87 11.030 10.424 -15.865 1.00 0.00 H new ATOM 0 HD23 LEU A 87 12.391 10.671 -14.745 1.00 0.00 H new ATOM 1352 N ASP A 88 11.217 9.088 -10.348 1.00 0.00 N ATOM 1353 CA ASP A 88 12.356 8.756 -9.444 1.00 0.00 C ATOM 1354 C ASP A 88 12.102 7.408 -8.759 1.00 0.00 C ATOM 1355 O ASP A 88 12.732 6.418 -9.065 1.00 0.00 O ATOM 1356 CB ASP A 88 12.490 9.847 -8.380 1.00 0.00 C ATOM 1357 CG ASP A 88 13.967 10.057 -8.045 1.00 0.00 C ATOM 1358 OD1 ASP A 88 14.799 9.608 -8.816 1.00 0.00 O ATOM 1359 OD2 ASP A 88 14.242 10.664 -7.023 1.00 0.00 O ATOM 0 H ASP A 88 10.692 9.924 -10.093 1.00 0.00 H new ATOM 0 HA ASP A 88 13.274 8.694 -10.029 1.00 0.00 H new ATOM 0 HB2 ASP A 88 12.053 10.778 -8.742 1.00 0.00 H new ATOM 0 HB3 ASP A 88 11.940 9.564 -7.483 1.00 0.00 H new ATOM 1364 N ALA A 89 11.186 7.369 -7.827 1.00 0.00 N ATOM 1365 CA ALA A 89 10.895 6.092 -7.111 1.00 0.00 C ATOM 1366 C ALA A 89 10.832 4.931 -8.108 1.00 0.00 C ATOM 1367 O ALA A 89 11.414 3.886 -7.895 1.00 0.00 O ATOM 1368 CB ALA A 89 9.552 6.210 -6.386 1.00 0.00 C ATOM 0 H ALA A 89 10.626 8.168 -7.530 1.00 0.00 H new ATOM 0 HA ALA A 89 11.689 5.900 -6.390 1.00 0.00 H new ATOM 0 HB1 ALA A 89 9.338 5.278 -5.863 1.00 0.00 H new ATOM 0 HB2 ALA A 89 9.597 7.028 -5.667 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.763 6.408 -7.112 1.00 0.00 H new ATOM 1374 N ALA A 90 10.125 5.100 -9.192 1.00 0.00 N ATOM 1375 CA ALA A 90 10.021 4.001 -10.195 1.00 0.00 C ATOM 1376 C ALA A 90 11.404 3.691 -10.773 1.00 0.00 C ATOM 1377 O ALA A 90 12.016 2.696 -10.438 1.00 0.00 O ATOM 1378 CB ALA A 90 9.083 4.432 -11.324 1.00 0.00 C ATOM 0 H ALA A 90 9.615 5.951 -9.427 1.00 0.00 H new ATOM 0 HA ALA A 90 9.627 3.108 -9.710 1.00 0.00 H new ATOM 0 HB1 ALA A 90 9.005 3.630 -12.058 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.096 4.646 -10.915 1.00 0.00 H new ATOM 0 HB3 ALA A 90 9.479 5.327 -11.804 1.00 0.00 H new ATOM 1384 N VAL A 91 11.881 4.529 -11.656 1.00 0.00 N ATOM 1385 CA VAL A 91 13.215 4.304 -12.294 1.00 0.00 C ATOM 1386 C VAL A 91 14.189 3.636 -11.317 1.00 0.00 C ATOM 1387 O VAL A 91 15.050 2.874 -11.711 1.00 0.00 O ATOM 1388 CB VAL A 91 13.793 5.651 -12.732 1.00 0.00 C ATOM 1389 CG1 VAL A 91 15.237 5.462 -13.202 1.00 0.00 C ATOM 1390 CG2 VAL A 91 12.954 6.214 -13.881 1.00 0.00 C ATOM 0 H VAL A 91 11.397 5.371 -11.967 1.00 0.00 H new ATOM 0 HA VAL A 91 13.081 3.647 -13.153 1.00 0.00 H new ATOM 0 HB VAL A 91 13.774 6.344 -11.891 1.00 0.00 H new ATOM 0 HG11 VAL A 91 15.647 6.423 -13.514 1.00 0.00 H new ATOM 0 HG12 VAL A 91 15.836 5.060 -12.385 1.00 0.00 H new ATOM 0 HG13 VAL A 91 15.258 4.769 -14.043 1.00 0.00 H new ATOM 0 HG21 VAL A 91 13.364 7.174 -14.195 1.00 0.00 H new ATOM 0 HG22 VAL A 91 12.974 5.519 -14.721 1.00 0.00 H new ATOM 0 HG23 VAL A 91 11.925 6.351 -13.547 1.00 0.00 H new ATOM 1400 N SER A 92 14.069 3.916 -10.047 1.00 0.00 N ATOM 1401 CA SER A 92 14.999 3.297 -9.060 1.00 0.00 C ATOM 1402 C SER A 92 14.391 2.000 -8.515 1.00 0.00 C ATOM 1403 O SER A 92 13.673 1.304 -9.205 1.00 0.00 O ATOM 1404 CB SER A 92 15.244 4.274 -7.909 1.00 0.00 C ATOM 1405 OG SER A 92 14.241 4.095 -6.918 1.00 0.00 O ATOM 0 H SER A 92 13.370 4.544 -9.652 1.00 0.00 H new ATOM 0 HA SER A 92 15.945 3.069 -9.551 1.00 0.00 H new ATOM 0 HB2 SER A 92 16.231 4.106 -7.478 1.00 0.00 H new ATOM 0 HB3 SER A 92 15.228 5.300 -8.278 1.00 0.00 H new ATOM 0 HG SER A 92 13.358 4.089 -7.343 1.00 0.00 H new ATOM 1411 N ALA A 93 14.679 1.665 -7.284 1.00 0.00 N ATOM 1412 CA ALA A 93 14.124 0.409 -6.704 1.00 0.00 C ATOM 1413 C ALA A 93 14.577 -0.775 -7.560 1.00 0.00 C ATOM 1414 O ALA A 93 13.779 -1.441 -8.190 1.00 0.00 O ATOM 1415 CB ALA A 93 12.596 0.480 -6.691 1.00 0.00 C ATOM 0 H ALA A 93 15.274 2.207 -6.657 1.00 0.00 H new ATOM 0 HA ALA A 93 14.483 0.284 -5.682 1.00 0.00 H new ATOM 0 HB1 ALA A 93 12.193 -0.439 -6.267 1.00 0.00 H new ATOM 0 HB2 ALA A 93 12.276 1.329 -6.087 1.00 0.00 H new ATOM 0 HB3 ALA A 93 12.229 0.601 -7.710 1.00 0.00 H new ATOM 1421 N TYR A 94 15.856 -1.032 -7.596 1.00 0.00 N ATOM 1422 CA TYR A 94 16.368 -2.161 -8.423 1.00 0.00 C ATOM 1423 C TYR A 94 16.367 -1.747 -9.897 1.00 0.00 C ATOM 1424 O TYR A 94 16.758 -2.502 -10.767 1.00 0.00 O ATOM 1425 CB TYR A 94 15.469 -3.385 -8.233 1.00 0.00 C ATOM 1426 CG TYR A 94 16.314 -4.575 -7.842 1.00 0.00 C ATOM 1427 CD1 TYR A 94 17.026 -4.564 -6.635 1.00 0.00 C ATOM 1428 CD2 TYR A 94 16.386 -5.689 -8.686 1.00 0.00 C ATOM 1429 CE1 TYR A 94 17.809 -5.668 -6.274 1.00 0.00 C ATOM 1430 CE2 TYR A 94 17.168 -6.792 -8.325 1.00 0.00 C ATOM 1431 CZ TYR A 94 17.881 -6.782 -7.120 1.00 0.00 C ATOM 1432 OH TYR A 94 18.651 -7.870 -6.764 1.00 0.00 O ATOM 0 H TYR A 94 16.569 -0.508 -7.088 1.00 0.00 H new ATOM 0 HA TYR A 94 17.383 -2.410 -8.114 1.00 0.00 H new ATOM 0 HB2 TYR A 94 14.724 -3.186 -7.463 1.00 0.00 H new ATOM 0 HB3 TYR A 94 14.927 -3.598 -9.154 1.00 0.00 H new ATOM 0 HD1 TYR A 94 16.971 -3.705 -5.983 1.00 0.00 H new ATOM 0 HD2 TYR A 94 15.838 -5.697 -9.616 1.00 0.00 H new ATOM 0 HE1 TYR A 94 18.357 -5.660 -5.343 1.00 0.00 H new ATOM 0 HE2 TYR A 94 17.222 -7.652 -8.976 1.00 0.00 H new ATOM 0 HH TYR A 94 18.590 -8.556 -7.461 1.00 0.00 H new ATOM 1442 N GLN A 95 15.934 -0.547 -10.184 1.00 0.00 N ATOM 1443 CA GLN A 95 15.908 -0.070 -11.595 1.00 0.00 C ATOM 1444 C GLN A 95 15.395 -1.181 -12.517 1.00 0.00 C ATOM 1445 O GLN A 95 14.206 -1.380 -12.659 1.00 0.00 O ATOM 1446 CB GLN A 95 17.318 0.346 -12.014 1.00 0.00 C ATOM 1447 CG GLN A 95 17.589 1.778 -11.546 1.00 0.00 C ATOM 1448 CD GLN A 95 19.083 1.951 -11.271 1.00 0.00 C ATOM 1449 OE1 GLN A 95 19.939 1.161 -11.858 1.00 0.00 O flip ATOM 1450 NE2 GLN A 95 19.477 2.819 -10.515 1.00 0.00 N flip ATOM 0 H GLN A 95 15.596 0.126 -9.496 1.00 0.00 H new ATOM 0 HA GLN A 95 15.238 0.786 -11.674 1.00 0.00 H new ATOM 0 HB2 GLN A 95 18.052 -0.334 -11.582 1.00 0.00 H new ATOM 0 HB3 GLN A 95 17.421 0.281 -13.097 1.00 0.00 H new ATOM 0 HG2 GLN A 95 17.264 2.488 -12.306 1.00 0.00 H new ATOM 0 HG3 GLN A 95 17.015 1.992 -10.644 1.00 0.00 H new ATOM 0 HE21 GLN A 95 18.808 3.437 -10.056 1.00 0.00 H new ATOM 0 HE22 GLN A 95 20.476 2.929 -10.341 1.00 0.00 H new ATOM 1459 N GLN A 96 16.279 -1.904 -13.153 1.00 0.00 N ATOM 1460 CA GLN A 96 15.832 -2.990 -14.071 1.00 0.00 C ATOM 1461 C GLN A 96 15.068 -4.055 -13.282 1.00 0.00 C ATOM 1462 O GLN A 96 15.650 -4.901 -12.634 1.00 0.00 O ATOM 1463 CB GLN A 96 17.054 -3.623 -14.739 1.00 0.00 C ATOM 1464 CG GLN A 96 17.452 -2.789 -15.959 1.00 0.00 C ATOM 1465 CD GLN A 96 18.082 -3.696 -17.018 1.00 0.00 C ATOM 1466 OE1 GLN A 96 19.209 -3.484 -17.422 1.00 0.00 O ATOM 1467 NE2 GLN A 96 17.398 -4.701 -17.490 1.00 0.00 N ATOM 0 H GLN A 96 17.290 -1.789 -13.076 1.00 0.00 H new ATOM 0 HA GLN A 96 15.175 -2.572 -14.833 1.00 0.00 H new ATOM 0 HB2 GLN A 96 17.883 -3.674 -14.033 1.00 0.00 H new ATOM 0 HB3 GLN A 96 16.829 -4.646 -15.041 1.00 0.00 H new ATOM 0 HG2 GLN A 96 16.576 -2.287 -16.370 1.00 0.00 H new ATOM 0 HG3 GLN A 96 18.157 -2.011 -15.666 1.00 0.00 H new ATOM 0 HE21 GLN A 96 16.453 -4.879 -17.151 1.00 0.00 H new ATOM 0 HE22 GLN A 96 17.808 -5.309 -18.198 1.00 0.00 H new ATOM 1476 N GLY A 97 13.764 -4.020 -13.339 1.00 0.00 N ATOM 1477 CA GLY A 97 12.957 -5.031 -12.598 1.00 0.00 C ATOM 1478 C GLY A 97 11.632 -5.266 -13.329 1.00 0.00 C ATOM 1479 O GLY A 97 11.609 -5.647 -14.482 1.00 0.00 O ATOM 0 H GLY A 97 13.223 -3.335 -13.867 1.00 0.00 H new ATOM 0 HA2 GLY A 97 13.511 -5.966 -12.519 1.00 0.00 H new ATOM 0 HA3 GLY A 97 12.767 -4.686 -11.582 1.00 0.00 H new ATOM 1483 N ALA A 98 10.527 -5.043 -12.669 1.00 0.00 N ATOM 1484 CA ALA A 98 9.210 -5.256 -13.332 1.00 0.00 C ATOM 1485 C ALA A 98 8.325 -4.024 -13.128 1.00 0.00 C ATOM 1486 O ALA A 98 7.378 -4.048 -12.366 1.00 0.00 O ATOM 1487 CB ALA A 98 8.527 -6.486 -12.725 1.00 0.00 C ATOM 0 H ALA A 98 10.480 -4.723 -11.702 1.00 0.00 H new ATOM 0 HA ALA A 98 9.363 -5.415 -14.399 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.563 -6.643 -13.209 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.156 -7.363 -12.876 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.375 -6.328 -11.657 1.00 0.00 H new ATOM 1493 N PHE A 99 8.625 -2.947 -13.804 1.00 0.00 N ATOM 1494 CA PHE A 99 7.802 -1.713 -13.651 1.00 0.00 C ATOM 1495 C PHE A 99 7.346 -1.227 -15.029 1.00 0.00 C ATOM 1496 O PHE A 99 8.110 -1.195 -15.972 1.00 0.00 O ATOM 1497 CB PHE A 99 8.634 -0.619 -12.979 1.00 0.00 C ATOM 1498 CG PHE A 99 8.709 -0.884 -11.496 1.00 0.00 C ATOM 1499 CD1 PHE A 99 7.703 -0.408 -10.649 1.00 0.00 C ATOM 1500 CD2 PHE A 99 9.784 -1.607 -10.967 1.00 0.00 C ATOM 1501 CE1 PHE A 99 7.771 -0.655 -9.273 1.00 0.00 C ATOM 1502 CE2 PHE A 99 9.853 -1.856 -9.591 1.00 0.00 C ATOM 1503 CZ PHE A 99 8.846 -1.379 -8.744 1.00 0.00 C ATOM 0 H PHE A 99 9.405 -2.869 -14.456 1.00 0.00 H new ATOM 0 HA PHE A 99 6.931 -1.937 -13.036 1.00 0.00 H new ATOM 0 HB2 PHE A 99 9.637 -0.596 -13.406 1.00 0.00 H new ATOM 0 HB3 PHE A 99 8.186 0.358 -13.163 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.873 0.150 -11.057 1.00 0.00 H new ATOM 0 HD2 PHE A 99 10.561 -1.973 -11.621 1.00 0.00 H new ATOM 0 HE1 PHE A 99 6.994 -0.287 -8.619 1.00 0.00 H new ATOM 0 HE2 PHE A 99 10.682 -2.415 -9.184 1.00 0.00 H new ATOM 0 HZ PHE A 99 8.898 -1.570 -7.682 1.00 0.00 H new ATOM 1513 N ASP A 100 6.104 -0.847 -15.149 1.00 0.00 N ATOM 1514 CA ASP A 100 5.594 -0.360 -16.460 1.00 0.00 C ATOM 1515 C ASP A 100 4.751 0.898 -16.236 1.00 0.00 C ATOM 1516 O ASP A 100 3.558 0.824 -16.027 1.00 0.00 O ATOM 1517 CB ASP A 100 4.733 -1.448 -17.105 1.00 0.00 C ATOM 1518 CG ASP A 100 5.612 -2.343 -17.981 1.00 0.00 C ATOM 1519 OD1 ASP A 100 6.289 -1.811 -18.846 1.00 0.00 O ATOM 1520 OD2 ASP A 100 5.593 -3.544 -17.772 1.00 0.00 O ATOM 0 H ASP A 100 5.419 -0.853 -14.393 1.00 0.00 H new ATOM 0 HA ASP A 100 6.431 -0.125 -17.117 1.00 0.00 H new ATOM 0 HB2 ASP A 100 4.243 -2.043 -16.334 1.00 0.00 H new ATOM 0 HB3 ASP A 100 3.945 -0.994 -17.706 1.00 0.00 H new ATOM 1525 N TYR A 101 5.373 2.049 -16.265 1.00 0.00 N ATOM 1526 CA TYR A 101 4.616 3.326 -16.040 1.00 0.00 C ATOM 1527 C TYR A 101 3.242 3.245 -16.710 1.00 0.00 C ATOM 1528 O TYR A 101 3.111 2.800 -17.834 1.00 0.00 O ATOM 1529 CB TYR A 101 5.376 4.537 -16.618 1.00 0.00 C ATOM 1530 CG TYR A 101 6.616 4.096 -17.363 1.00 0.00 C ATOM 1531 CD1 TYR A 101 6.534 3.743 -18.715 1.00 0.00 C ATOM 1532 CD2 TYR A 101 7.845 4.039 -16.698 1.00 0.00 C ATOM 1533 CE1 TYR A 101 7.684 3.331 -19.402 1.00 0.00 C ATOM 1534 CE2 TYR A 101 8.995 3.628 -17.385 1.00 0.00 C ATOM 1535 CZ TYR A 101 8.914 3.274 -18.735 1.00 0.00 C ATOM 1536 OH TYR A 101 10.047 2.868 -19.412 1.00 0.00 O ATOM 0 H TYR A 101 6.372 2.164 -16.434 1.00 0.00 H new ATOM 0 HA TYR A 101 4.505 3.458 -14.964 1.00 0.00 H new ATOM 0 HB2 TYR A 101 4.723 5.093 -17.290 1.00 0.00 H new ATOM 0 HB3 TYR A 101 5.654 5.215 -15.811 1.00 0.00 H new ATOM 0 HD1 TYR A 101 5.585 3.788 -19.229 1.00 0.00 H new ATOM 0 HD2 TYR A 101 7.908 4.312 -15.655 1.00 0.00 H new ATOM 0 HE1 TYR A 101 7.622 3.058 -20.445 1.00 0.00 H new ATOM 0 HE2 TYR A 101 9.944 3.585 -16.871 1.00 0.00 H new ATOM 0 HH TYR A 101 10.815 2.886 -18.804 1.00 0.00 H new ATOM 1546 N LEU A 102 2.216 3.672 -16.025 1.00 0.00 N ATOM 1547 CA LEU A 102 0.848 3.624 -16.612 1.00 0.00 C ATOM 1548 C LEU A 102 0.338 5.052 -16.834 1.00 0.00 C ATOM 1549 O LEU A 102 0.254 5.830 -15.904 1.00 0.00 O ATOM 1550 CB LEU A 102 -0.091 2.891 -15.651 1.00 0.00 C ATOM 1551 CG LEU A 102 -0.695 1.675 -16.353 1.00 0.00 C ATOM 1552 CD1 LEU A 102 -1.514 0.862 -15.349 1.00 0.00 C ATOM 1553 CD2 LEU A 102 -1.603 2.145 -17.491 1.00 0.00 C ATOM 0 H LEU A 102 2.268 4.053 -15.080 1.00 0.00 H new ATOM 0 HA LEU A 102 0.878 3.097 -17.565 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.455 2.576 -14.762 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.883 3.562 -15.318 1.00 0.00 H new ATOM 0 HG LEU A 102 0.104 1.053 -16.758 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.945 -0.005 -15.849 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.868 0.529 -14.537 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -2.314 1.482 -14.945 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.035 1.279 -17.993 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -2.402 2.766 -17.086 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -1.020 2.725 -18.206 1.00 0.00 H new ATOM 1565 N PRO A 103 0.012 5.353 -18.067 1.00 0.00 N ATOM 1566 CA PRO A 103 -0.488 6.716 -18.354 1.00 0.00 C ATOM 1567 C PRO A 103 -1.880 6.656 -18.989 1.00 0.00 C ATOM 1568 O PRO A 103 -2.452 5.599 -19.158 1.00 0.00 O ATOM 1569 CB PRO A 103 0.527 7.295 -19.340 1.00 0.00 C ATOM 1570 CG PRO A 103 1.213 6.090 -20.012 1.00 0.00 C ATOM 1571 CD PRO A 103 0.972 4.879 -19.095 1.00 0.00 C ATOM 0 HA PRO A 103 -0.584 7.321 -17.453 1.00 0.00 H new ATOM 0 HB2 PRO A 103 0.034 7.925 -20.081 1.00 0.00 H new ATOM 0 HB3 PRO A 103 1.256 7.920 -18.825 1.00 0.00 H new ATOM 0 HG2 PRO A 103 0.799 5.913 -21.005 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.280 6.273 -20.140 1.00 0.00 H new ATOM 0 HD2 PRO A 103 0.565 4.036 -19.654 1.00 0.00 H new ATOM 0 HD3 PRO A 103 1.902 4.540 -18.639 1.00 0.00 H new ATOM 1579 N LYS A 104 -2.428 7.789 -19.342 1.00 0.00 N ATOM 1580 CA LYS A 104 -3.782 7.809 -19.966 1.00 0.00 C ATOM 1581 C LYS A 104 -3.640 7.967 -21.486 1.00 0.00 C ATOM 1582 O LYS A 104 -2.636 8.461 -21.957 1.00 0.00 O ATOM 1583 CB LYS A 104 -4.581 8.987 -19.401 1.00 0.00 C ATOM 1584 CG LYS A 104 -4.419 9.031 -17.880 1.00 0.00 C ATOM 1585 CD LYS A 104 -3.658 10.297 -17.486 1.00 0.00 C ATOM 1586 CE LYS A 104 -4.654 11.408 -17.149 1.00 0.00 C ATOM 1587 NZ LYS A 104 -4.338 12.619 -17.958 1.00 0.00 N ATOM 0 H LYS A 104 -1.994 8.704 -19.224 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.302 6.877 -19.746 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -4.233 9.921 -19.842 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -5.634 8.885 -19.662 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -5.397 9.017 -17.399 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.881 8.148 -17.535 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -3.017 10.096 -16.628 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.008 10.612 -18.302 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.671 11.075 -17.355 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -4.606 11.645 -16.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -5.015 13.375 -17.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -3.373 12.940 -17.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -4.405 12.388 -18.970 1.00 0.00 H new ATOM 1601 N PRO A 105 -4.651 7.542 -22.216 1.00 0.00 N ATOM 1602 CA PRO A 105 -5.852 6.947 -21.578 1.00 0.00 C ATOM 1603 C PRO A 105 -5.756 5.420 -21.581 1.00 0.00 C ATOM 1604 O PRO A 105 -4.916 4.842 -22.242 1.00 0.00 O ATOM 1605 CB PRO A 105 -7.016 7.415 -22.453 1.00 0.00 C ATOM 1606 CG PRO A 105 -6.415 7.752 -23.830 1.00 0.00 C ATOM 1607 CD PRO A 105 -4.910 7.976 -23.609 1.00 0.00 C ATOM 0 HA PRO A 105 -5.967 7.249 -20.537 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -7.774 6.637 -22.540 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.503 8.287 -22.018 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -6.586 6.940 -24.537 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -6.882 8.643 -24.249 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -4.318 7.397 -24.318 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -4.643 9.023 -23.751 1.00 0.00 H new ATOM 1615 N PHE A 106 -6.607 4.761 -20.842 1.00 0.00 N ATOM 1616 CA PHE A 106 -6.562 3.273 -20.798 1.00 0.00 C ATOM 1617 C PHE A 106 -7.863 2.739 -20.200 1.00 0.00 C ATOM 1618 O PHE A 106 -8.442 3.341 -19.318 1.00 0.00 O ATOM 1619 CB PHE A 106 -5.400 2.829 -19.911 1.00 0.00 C ATOM 1620 CG PHE A 106 -5.619 3.350 -18.510 1.00 0.00 C ATOM 1621 CD1 PHE A 106 -6.390 2.616 -17.595 1.00 0.00 C ATOM 1622 CD2 PHE A 106 -5.056 4.572 -18.127 1.00 0.00 C ATOM 1623 CE1 PHE A 106 -6.592 3.108 -16.299 1.00 0.00 C ATOM 1624 CE2 PHE A 106 -5.260 5.062 -16.831 1.00 0.00 C ATOM 1625 CZ PHE A 106 -6.028 4.331 -15.918 1.00 0.00 C ATOM 0 H PHE A 106 -7.332 5.190 -20.267 1.00 0.00 H new ATOM 0 HA PHE A 106 -6.432 2.888 -21.809 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -5.329 1.741 -19.901 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -4.458 3.206 -20.309 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -6.827 1.673 -17.890 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -4.464 5.138 -18.831 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -7.183 2.543 -15.593 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -4.824 6.005 -16.536 1.00 0.00 H new ATOM 0 HZ PHE A 106 -6.186 4.710 -14.919 1.00 0.00 H new ATOM 1635 N ASP A 107 -8.315 1.601 -20.650 1.00 0.00 N ATOM 1636 CA ASP A 107 -9.558 1.029 -20.078 1.00 0.00 C ATOM 1637 C ASP A 107 -9.212 0.441 -18.712 1.00 0.00 C ATOM 1638 O ASP A 107 -8.132 -0.075 -18.509 1.00 0.00 O ATOM 1639 CB ASP A 107 -10.090 -0.064 -21.002 1.00 0.00 C ATOM 1640 CG ASP A 107 -11.592 -0.245 -20.773 1.00 0.00 C ATOM 1641 OD1 ASP A 107 -11.955 -0.729 -19.714 1.00 0.00 O ATOM 1642 OD2 ASP A 107 -12.352 0.105 -21.660 1.00 0.00 O ATOM 0 H ASP A 107 -7.877 1.047 -21.386 1.00 0.00 H new ATOM 0 HA ASP A 107 -10.326 1.796 -19.975 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -9.900 0.201 -22.042 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -9.567 -1.001 -20.811 1.00 0.00 H new ATOM 1647 N ILE A 108 -10.096 0.536 -17.764 1.00 0.00 N ATOM 1648 CA ILE A 108 -9.781 0.002 -16.412 1.00 0.00 C ATOM 1649 C ILE A 108 -9.493 -1.494 -16.477 1.00 0.00 C ATOM 1650 O ILE A 108 -8.515 -1.965 -15.932 1.00 0.00 O ATOM 1651 CB ILE A 108 -10.958 0.256 -15.472 1.00 0.00 C ATOM 1652 CG1 ILE A 108 -10.524 -0.048 -14.040 1.00 0.00 C ATOM 1653 CG2 ILE A 108 -12.131 -0.648 -15.857 1.00 0.00 C ATOM 1654 CD1 ILE A 108 -9.780 1.160 -13.471 1.00 0.00 C ATOM 0 H ILE A 108 -11.019 0.958 -17.864 1.00 0.00 H new ATOM 0 HA ILE A 108 -8.894 0.512 -16.036 1.00 0.00 H new ATOM 0 HB ILE A 108 -11.272 1.297 -15.549 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -11.394 -0.277 -13.425 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -9.881 -0.928 -14.022 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -12.968 -0.464 -15.184 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -12.435 -0.433 -16.882 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -11.827 -1.692 -15.780 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -9.468 0.947 -12.448 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.902 1.367 -14.082 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -10.439 2.028 -13.476 1.00 0.00 H new ATOM 1666 N ASP A 109 -10.322 -2.251 -17.126 1.00 0.00 N ATOM 1667 CA ASP A 109 -10.066 -3.709 -17.201 1.00 0.00 C ATOM 1668 C ASP A 109 -8.856 -3.947 -18.087 1.00 0.00 C ATOM 1669 O ASP A 109 -7.892 -4.568 -17.683 1.00 0.00 O ATOM 1670 CB ASP A 109 -11.286 -4.400 -17.798 1.00 0.00 C ATOM 1671 CG ASP A 109 -11.106 -5.916 -17.725 1.00 0.00 C ATOM 1672 OD1 ASP A 109 -10.435 -6.369 -16.813 1.00 0.00 O ATOM 1673 OD2 ASP A 109 -11.642 -6.600 -18.582 1.00 0.00 O ATOM 0 H ASP A 109 -11.162 -1.927 -17.606 1.00 0.00 H new ATOM 0 HA ASP A 109 -9.876 -4.111 -16.206 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -12.185 -4.104 -17.257 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -11.421 -4.090 -18.834 1.00 0.00 H new ATOM 1678 N GLU A 110 -8.887 -3.444 -19.285 1.00 0.00 N ATOM 1679 CA GLU A 110 -7.724 -3.625 -20.184 1.00 0.00 C ATOM 1680 C GLU A 110 -6.460 -3.306 -19.390 1.00 0.00 C ATOM 1681 O GLU A 110 -5.398 -3.838 -19.646 1.00 0.00 O ATOM 1682 CB GLU A 110 -7.848 -2.668 -21.366 1.00 0.00 C ATOM 1683 CG GLU A 110 -6.622 -2.805 -22.271 1.00 0.00 C ATOM 1684 CD GLU A 110 -6.501 -4.253 -22.753 1.00 0.00 C ATOM 1685 OE1 GLU A 110 -5.875 -5.036 -22.058 1.00 0.00 O ATOM 1686 OE2 GLU A 110 -7.034 -4.552 -23.808 1.00 0.00 O ATOM 0 H GLU A 110 -9.666 -2.917 -19.679 1.00 0.00 H new ATOM 0 HA GLU A 110 -7.683 -4.647 -20.560 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -8.755 -2.887 -21.930 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -7.935 -1.642 -21.008 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -6.710 -2.133 -23.125 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -5.722 -2.515 -21.728 1.00 0.00 H new ATOM 1693 N ALA A 111 -6.575 -2.443 -18.411 1.00 0.00 N ATOM 1694 CA ALA A 111 -5.403 -2.089 -17.588 1.00 0.00 C ATOM 1695 C ALA A 111 -5.078 -3.246 -16.648 1.00 0.00 C ATOM 1696 O ALA A 111 -4.147 -3.994 -16.876 1.00 0.00 O ATOM 1697 CB ALA A 111 -5.750 -0.847 -16.778 1.00 0.00 C ATOM 0 H ALA A 111 -7.442 -1.971 -18.153 1.00 0.00 H new ATOM 0 HA ALA A 111 -4.537 -1.893 -18.220 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -4.897 -0.565 -16.160 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.994 -0.028 -17.454 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -6.607 -1.057 -16.139 1.00 0.00 H new ATOM 1703 N VAL A 112 -5.811 -3.379 -15.572 1.00 0.00 N ATOM 1704 CA VAL A 112 -5.512 -4.462 -14.606 1.00 0.00 C ATOM 1705 C VAL A 112 -5.173 -5.748 -15.362 1.00 0.00 C ATOM 1706 O VAL A 112 -4.093 -6.286 -15.243 1.00 0.00 O ATOM 1707 CB VAL A 112 -6.749 -4.680 -13.746 1.00 0.00 C ATOM 1708 CG1 VAL A 112 -6.447 -5.740 -12.688 1.00 0.00 C ATOM 1709 CG2 VAL A 112 -7.119 -3.367 -13.053 1.00 0.00 C ATOM 0 H VAL A 112 -6.601 -2.782 -15.327 1.00 0.00 H new ATOM 0 HA VAL A 112 -4.661 -4.190 -13.982 1.00 0.00 H new ATOM 0 HB VAL A 112 -7.578 -5.012 -14.372 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -7.331 -5.899 -12.070 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -6.173 -6.675 -13.177 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -5.621 -5.403 -12.061 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -8.005 -3.518 -12.436 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -6.290 -3.041 -12.425 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -7.326 -2.605 -13.804 1.00 0.00 H new ATOM 1719 N ALA A 113 -6.095 -6.236 -16.150 1.00 0.00 N ATOM 1720 CA ALA A 113 -5.841 -7.483 -16.929 1.00 0.00 C ATOM 1721 C ALA A 113 -4.428 -7.448 -17.516 1.00 0.00 C ATOM 1722 O ALA A 113 -3.601 -8.287 -17.203 1.00 0.00 O ATOM 1723 CB ALA A 113 -6.859 -7.581 -18.066 1.00 0.00 C ATOM 0 H ALA A 113 -7.017 -5.822 -16.288 1.00 0.00 H new ATOM 0 HA ALA A 113 -5.936 -8.347 -16.271 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -6.678 -8.491 -18.639 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -7.867 -7.608 -17.651 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -6.759 -6.715 -18.720 1.00 0.00 H new ATOM 1729 N LEU A 114 -4.154 -6.494 -18.377 1.00 0.00 N ATOM 1730 CA LEU A 114 -2.803 -6.394 -19.005 1.00 0.00 C ATOM 1731 C LEU A 114 -1.745 -6.824 -17.996 1.00 0.00 C ATOM 1732 O LEU A 114 -0.904 -7.658 -18.269 1.00 0.00 O ATOM 1733 CB LEU A 114 -2.571 -4.938 -19.407 1.00 0.00 C ATOM 1734 CG LEU A 114 -1.155 -4.756 -19.972 1.00 0.00 C ATOM 1735 CD1 LEU A 114 -0.143 -4.687 -18.826 1.00 0.00 C ATOM 1736 CD2 LEU A 114 -0.807 -5.933 -20.887 1.00 0.00 C ATOM 0 H LEU A 114 -4.817 -5.776 -18.671 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.740 -7.039 -19.881 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.308 -4.638 -20.152 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.710 -4.289 -18.542 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.118 -3.829 -20.544 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.860 -4.558 -19.233 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.383 -3.843 -18.179 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.184 -5.611 -18.248 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.199 -5.799 -21.285 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -0.851 -6.862 -20.318 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -1.520 -5.977 -21.710 1.00 0.00 H new ATOM 1748 N VAL A 115 -1.798 -6.269 -16.819 1.00 0.00 N ATOM 1749 CA VAL A 115 -0.816 -6.654 -15.773 1.00 0.00 C ATOM 1750 C VAL A 115 -0.951 -8.158 -15.498 1.00 0.00 C ATOM 1751 O VAL A 115 0.013 -8.894 -15.551 1.00 0.00 O ATOM 1752 CB VAL A 115 -1.074 -5.817 -14.503 1.00 0.00 C ATOM 1753 CG1 VAL A 115 -1.767 -6.645 -13.418 1.00 0.00 C ATOM 1754 CG2 VAL A 115 0.261 -5.306 -13.962 1.00 0.00 C ATOM 0 H VAL A 115 -2.480 -5.565 -16.537 1.00 0.00 H new ATOM 0 HA VAL A 115 0.203 -6.456 -16.105 1.00 0.00 H new ATOM 0 HB VAL A 115 -1.727 -4.985 -14.769 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -1.934 -6.024 -12.537 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -2.724 -7.008 -13.793 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.137 -7.493 -13.150 1.00 0.00 H new ATOM 0 HG21 VAL A 115 0.087 -4.713 -13.064 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.903 -6.153 -13.719 1.00 0.00 H new ATOM 0 HG23 VAL A 115 0.746 -4.687 -14.717 1.00 0.00 H new ATOM 1764 N GLU A 116 -2.145 -8.604 -15.193 1.00 0.00 N ATOM 1765 CA GLU A 116 -2.375 -10.051 -14.898 1.00 0.00 C ATOM 1766 C GLU A 116 -1.458 -10.924 -15.761 1.00 0.00 C ATOM 1767 O GLU A 116 -0.903 -11.902 -15.304 1.00 0.00 O ATOM 1768 CB GLU A 116 -3.835 -10.394 -15.212 1.00 0.00 C ATOM 1769 CG GLU A 116 -4.059 -11.899 -15.042 1.00 0.00 C ATOM 1770 CD GLU A 116 -5.311 -12.319 -15.814 1.00 0.00 C ATOM 1771 OE1 GLU A 116 -6.262 -11.555 -15.820 1.00 0.00 O ATOM 1772 OE2 GLU A 116 -5.296 -13.395 -16.388 1.00 0.00 O ATOM 0 H GLU A 116 -2.979 -8.019 -15.135 1.00 0.00 H new ATOM 0 HA GLU A 116 -2.157 -10.241 -13.847 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.500 -9.840 -14.549 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -4.078 -10.093 -16.231 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -3.192 -12.450 -15.407 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -4.171 -12.144 -13.986 1.00 0.00 H new ATOM 1779 N ARG A 117 -1.303 -10.576 -17.011 1.00 0.00 N ATOM 1780 CA ARG A 117 -0.430 -11.388 -17.913 1.00 0.00 C ATOM 1781 C ARG A 117 1.009 -11.381 -17.400 1.00 0.00 C ATOM 1782 O ARG A 117 1.610 -12.418 -17.219 1.00 0.00 O ATOM 1783 CB ARG A 117 -0.467 -10.801 -19.325 1.00 0.00 C ATOM 1784 CG ARG A 117 -1.598 -11.452 -20.123 1.00 0.00 C ATOM 1785 CD ARG A 117 -2.077 -10.486 -21.209 1.00 0.00 C ATOM 1786 NE ARG A 117 -2.770 -11.249 -22.285 1.00 0.00 N ATOM 1787 CZ ARG A 117 -3.679 -10.665 -23.021 1.00 0.00 C ATOM 1788 NH1 ARG A 117 -3.680 -9.366 -23.150 1.00 0.00 N ATOM 1789 NH2 ARG A 117 -4.591 -11.381 -23.621 1.00 0.00 N ATOM 0 H ARG A 117 -1.742 -9.765 -17.447 1.00 0.00 H new ATOM 0 HA ARG A 117 -0.798 -12.414 -17.931 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -0.616 -9.722 -19.277 1.00 0.00 H new ATOM 0 HB3 ARG A 117 0.487 -10.969 -19.824 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -1.251 -12.381 -20.575 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -2.424 -11.709 -19.460 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -2.753 -9.747 -20.780 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -1.230 -9.940 -21.624 1.00 0.00 H new ATOM 0 HE ARG A 117 -2.535 -12.228 -22.448 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -2.971 -8.806 -22.676 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -4.390 -8.911 -23.724 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -4.594 -12.396 -23.515 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -5.300 -10.926 -24.195 1.00 0.00 H new ATOM 1803 N ALA A 118 1.572 -10.230 -17.168 1.00 0.00 N ATOM 1804 CA ALA A 118 2.972 -10.192 -16.667 1.00 0.00 C ATOM 1805 C ALA A 118 3.075 -11.094 -15.436 1.00 0.00 C ATOM 1806 O ALA A 118 3.901 -11.982 -15.370 1.00 0.00 O ATOM 1807 CB ALA A 118 3.344 -8.757 -16.288 1.00 0.00 C ATOM 0 H ALA A 118 1.128 -9.321 -17.302 1.00 0.00 H new ATOM 0 HA ALA A 118 3.655 -10.541 -17.442 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.370 -8.732 -15.921 1.00 0.00 H new ATOM 0 HB2 ALA A 118 3.256 -8.115 -17.164 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.671 -8.401 -15.508 1.00 0.00 H new ATOM 1813 N ILE A 119 2.241 -10.853 -14.459 1.00 0.00 N ATOM 1814 CA ILE A 119 2.257 -11.664 -13.210 1.00 0.00 C ATOM 1815 C ILE A 119 2.577 -13.123 -13.525 1.00 0.00 C ATOM 1816 O ILE A 119 3.207 -13.815 -12.750 1.00 0.00 O ATOM 1817 CB ILE A 119 0.873 -11.607 -12.581 1.00 0.00 C ATOM 1818 CG1 ILE A 119 0.353 -10.168 -12.580 1.00 0.00 C ATOM 1819 CG2 ILE A 119 0.948 -12.121 -11.138 1.00 0.00 C ATOM 1820 CD1 ILE A 119 -0.882 -10.076 -11.683 1.00 0.00 C ATOM 0 H ILE A 119 1.538 -10.115 -14.476 1.00 0.00 H new ATOM 0 HA ILE A 119 3.015 -11.265 -12.536 1.00 0.00 H new ATOM 0 HB ILE A 119 0.193 -12.231 -13.161 1.00 0.00 H new ATOM 0 HG12 ILE A 119 1.128 -9.490 -12.222 1.00 0.00 H new ATOM 0 HG13 ILE A 119 0.103 -9.859 -13.595 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -0.043 -12.081 -10.686 1.00 0.00 H new ATOM 0 HG22 ILE A 119 1.306 -13.150 -11.137 1.00 0.00 H new ATOM 0 HG23 ILE A 119 1.634 -11.497 -10.565 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -1.254 -9.052 -11.681 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -1.657 -10.743 -12.061 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -0.616 -10.368 -10.667 1.00 0.00 H new ATOM 1832 N SER A 120 2.122 -13.604 -14.652 1.00 0.00 N ATOM 1833 CA SER A 120 2.372 -15.034 -15.023 1.00 0.00 C ATOM 1834 C SER A 120 3.851 -15.288 -15.379 1.00 0.00 C ATOM 1835 O SER A 120 4.164 -16.239 -16.068 1.00 0.00 O ATOM 1836 CB SER A 120 1.504 -15.391 -16.229 1.00 0.00 C ATOM 1837 OG SER A 120 1.324 -16.801 -16.275 1.00 0.00 O ATOM 0 H SER A 120 1.586 -13.069 -15.335 1.00 0.00 H new ATOM 0 HA SER A 120 2.122 -15.654 -14.162 1.00 0.00 H new ATOM 0 HB2 SER A 120 0.538 -14.891 -16.157 1.00 0.00 H new ATOM 0 HB3 SER A 120 1.976 -15.042 -17.148 1.00 0.00 H new ATOM 0 HG SER A 120 2.196 -17.244 -16.212 1.00 0.00 H new ATOM 1843 N HIS A 121 4.767 -14.474 -14.920 1.00 0.00 N ATOM 1844 CA HIS A 121 6.201 -14.716 -15.243 1.00 0.00 C ATOM 1845 C HIS A 121 6.371 -14.840 -16.757 1.00 0.00 C ATOM 1846 O HIS A 121 7.188 -15.604 -17.227 1.00 0.00 O ATOM 1847 CB HIS A 121 6.660 -16.016 -14.575 1.00 0.00 C ATOM 1848 CG HIS A 121 7.852 -15.742 -13.700 1.00 0.00 C ATOM 1849 ND1 HIS A 121 7.832 -15.961 -12.332 1.00 0.00 N ATOM 1850 CD2 HIS A 121 9.110 -15.270 -13.985 1.00 0.00 C ATOM 1851 CE1 HIS A 121 9.041 -15.625 -11.848 1.00 0.00 C ATOM 1852 NE2 HIS A 121 9.859 -15.198 -12.814 1.00 0.00 N ATOM 0 H HIS A 121 4.583 -13.657 -14.338 1.00 0.00 H new ATOM 0 HA HIS A 121 6.800 -13.883 -14.876 1.00 0.00 H new ATOM 0 HB2 HIS A 121 5.849 -16.437 -13.980 1.00 0.00 H new ATOM 0 HB3 HIS A 121 6.916 -16.756 -15.334 1.00 0.00 H new ATOM 0 HD2 HIS A 121 9.464 -14.996 -14.968 1.00 0.00 H new ATOM 0 HE1 HIS A 121 9.317 -15.692 -10.806 1.00 0.00 H new ATOM 0 HE2 HIS A 121 10.825 -14.886 -12.715 1.00 0.00 H new ATOM 1860 N TYR A 122 5.615 -14.081 -17.515 1.00 0.00 N ATOM 1861 CA TYR A 122 5.719 -14.125 -18.996 1.00 0.00 C ATOM 1862 C TYR A 122 6.095 -15.536 -19.457 1.00 0.00 C ATOM 1863 O TYR A 122 7.023 -15.731 -20.218 1.00 0.00 O ATOM 1864 CB TYR A 122 6.775 -13.119 -19.436 1.00 0.00 C ATOM 1865 CG TYR A 122 6.756 -11.922 -18.512 1.00 0.00 C ATOM 1866 CD1 TYR A 122 7.349 -12.005 -17.246 1.00 0.00 C ATOM 1867 CD2 TYR A 122 6.144 -10.731 -18.920 1.00 0.00 C ATOM 1868 CE1 TYR A 122 7.328 -10.899 -16.389 1.00 0.00 C ATOM 1869 CE2 TYR A 122 6.124 -9.624 -18.063 1.00 0.00 C ATOM 1870 CZ TYR A 122 6.716 -9.707 -16.797 1.00 0.00 C ATOM 1871 OH TYR A 122 6.695 -8.617 -15.951 1.00 0.00 O ATOM 0 H TYR A 122 4.921 -13.425 -17.157 1.00 0.00 H new ATOM 0 HA TYR A 122 4.760 -13.869 -19.446 1.00 0.00 H new ATOM 0 HB2 TYR A 122 7.761 -13.584 -19.424 1.00 0.00 H new ATOM 0 HB3 TYR A 122 6.584 -12.802 -20.461 1.00 0.00 H new ATOM 0 HD1 TYR A 122 7.823 -12.923 -16.931 1.00 0.00 H new ATOM 0 HD2 TYR A 122 5.687 -10.666 -19.896 1.00 0.00 H new ATOM 0 HE1 TYR A 122 7.784 -10.965 -15.412 1.00 0.00 H new ATOM 0 HE2 TYR A 122 5.652 -8.706 -18.379 1.00 0.00 H new ATOM 0 HH TYR A 122 6.454 -7.814 -16.458 1.00 0.00 H new ATOM 1881 N GLN A 123 5.379 -16.522 -18.985 1.00 0.00 N ATOM 1882 CA GLN A 123 5.681 -17.929 -19.369 1.00 0.00 C ATOM 1883 C GLN A 123 5.532 -18.103 -20.883 1.00 0.00 C ATOM 1884 O GLN A 123 6.145 -18.966 -21.478 1.00 0.00 O ATOM 1885 CB GLN A 123 4.710 -18.864 -18.643 1.00 0.00 C ATOM 1886 CG GLN A 123 5.407 -19.474 -17.424 1.00 0.00 C ATOM 1887 CD GLN A 123 4.696 -20.767 -17.018 1.00 0.00 C ATOM 1888 OE1 GLN A 123 3.669 -21.108 -17.570 1.00 0.00 O ATOM 1889 NE2 GLN A 123 5.206 -21.505 -16.069 1.00 0.00 N ATOM 0 H GLN A 123 4.592 -16.410 -18.345 1.00 0.00 H new ATOM 0 HA GLN A 123 6.706 -18.171 -19.087 1.00 0.00 H new ATOM 0 HB2 GLN A 123 3.823 -18.313 -18.331 1.00 0.00 H new ATOM 0 HB3 GLN A 123 4.375 -19.653 -19.317 1.00 0.00 H new ATOM 0 HG2 GLN A 123 6.452 -19.679 -17.655 1.00 0.00 H new ATOM 0 HG3 GLN A 123 5.397 -18.766 -16.595 1.00 0.00 H new ATOM 0 HE21 GLN A 123 6.068 -21.217 -15.607 1.00 0.00 H new ATOM 0 HE22 GLN A 123 4.742 -22.369 -15.790 1.00 0.00 H new ATOM 1898 N GLU A 124 4.728 -17.292 -21.514 1.00 0.00 N ATOM 1899 CA GLU A 124 4.553 -17.421 -22.988 1.00 0.00 C ATOM 1900 C GLU A 124 5.594 -16.554 -23.700 1.00 0.00 C ATOM 1901 O GLU A 124 6.282 -17.076 -24.562 1.00 0.00 O ATOM 1902 CB GLU A 124 3.148 -16.962 -23.381 1.00 0.00 C ATOM 1903 CG GLU A 124 2.120 -17.987 -22.897 1.00 0.00 C ATOM 1904 CD GLU A 124 0.707 -17.463 -23.166 1.00 0.00 C ATOM 1905 OE1 GLU A 124 0.593 -16.381 -23.717 1.00 0.00 O ATOM 1906 OE2 GLU A 124 -0.237 -18.153 -22.816 1.00 0.00 O ATOM 1907 OXT GLU A 124 5.685 -15.383 -23.371 1.00 0.00 O ATOM 0 H GLU A 124 4.186 -16.548 -21.074 1.00 0.00 H new ATOM 0 HA GLU A 124 4.685 -18.463 -23.280 1.00 0.00 H new ATOM 0 HB2 GLU A 124 2.937 -15.986 -22.944 1.00 0.00 H new ATOM 0 HB3 GLU A 124 3.081 -16.847 -24.463 1.00 0.00 H new ATOM 0 HG2 GLU A 124 2.270 -18.937 -23.409 1.00 0.00 H new ATOM 0 HG3 GLU A 124 2.252 -18.175 -21.832 1.00 0.00 H new TER 1914 GLU A 124