USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 849 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 49 GLN : amide:sc= -0.143 K(o=-1.6,f=-8.5!) USER MOD Set 1.2: B 118 THR OG1 : rot 107:sc= -1.46 USER MOD Set 2.1: A 50 HIS :FLIP no HD1:sc= -8.93! C(o=-10!,f=-8.8!) USER MOD Set 2.2: A 71 LYS NZ :NH3+ 171:sc= 0.143 (180deg=0) USER MOD Set 3.1: A 44 TYR OH : rot 108:sc= 0.00286 USER MOD Set 3.2: A 46 GLN : amide:sc= -3.44 X(o=-3.4,f=-3!) USER MOD Set 4.1: A 16 HIS : no HE2:sc= -7.14! C(o=-9.9!,f=-15!) USER MOD Set 4.2: A 21 GLN :FLIP amide:sc= -2.76! C(o=-15!,f=-9.9!) USER MOD Single : A 1 GLN : amide:sc= -0.164 K(o=-0.16,f=-1.8!) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN :FLIP amide:sc=-0.00311 F(o=-3!,f=-0.0031) USER MOD Single : A 4 GLN : amide:sc= -3.38 K(o=-3.4,f=-6.8!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -164:sc= -0.803 (180deg=-1.62!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0162 USER MOD Single : A 28 LYS NZ :NH3+ -144:sc= -3.77! (180deg=-7!) USER MOD Single : A 31 MET CE :methyl 155:sc= -5.5! (180deg=-7.68!) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot -169:sc= 1.9 USER MOD Single : A 36 GLN : amide:sc= -0.293 X(o=-0.29,f=-0.19) USER MOD Single : A 37 TYR OH : rot -120:sc= -1.47 USER MOD Single : A 39 MET CE :methyl 177:sc= -5.01! (180deg=-5.21!) USER MOD Single : A 41 LYS NZ :NH3+ 152:sc= -0.023 (180deg=-0.436) USER MOD Single : A 42 GLN :FLIP amide:sc= -0.0911 F(o=-3.9!,f=-0.091) USER MOD Single : A 47 GLN :FLIP amide:sc= -3.69! C(o=-7.2!,f=-3.7!) USER MOD Single : A 51 MET CE :methyl 158:sc= -2.45 (180deg=-4.32!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot -134:sc= -3.16! USER MOD Single : A 66 GLN : amide:sc= -1.87! C(o=-1.9!,f=-2.5!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -31:sc= -1.82! USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 152:sc= -7.84! USER MOD Single : A 79 MET CE :methyl -167:sc= 0 (180deg=-0.188) USER MOD Single : A 82 LYS NZ :NH3+ 173:sc= -1.68! (180deg=-1.9!) USER MOD Single : A 83 ASN : amide:sc= -5.72! C(o=-5.7!,f=-5.5!) USER MOD Single : A 86 THR OG1 : rot -31:sc= 0.122 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0211 USER MOD Single : B 115 SER OG : rot 180:sc= 0 USER MOD Single : B 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 129 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 1.130 -1.517 0.764 1.00 0.00 N ATOM 2 CA GLN A 1 1.928 -2.414 -0.064 1.00 0.00 C ATOM 3 C GLN A 1 3.343 -2.549 0.487 1.00 0.00 C ATOM 4 O GLN A 1 3.756 -3.631 0.905 1.00 0.00 O ATOM 5 CB GLN A 1 1.975 -1.904 -1.506 1.00 0.00 C ATOM 6 CG GLN A 1 1.196 -2.769 -2.483 1.00 0.00 C ATOM 7 CD GLN A 1 2.077 -3.764 -3.212 1.00 0.00 C ATOM 8 OE1 GLN A 1 3.272 -3.532 -3.401 1.00 0.00 O ATOM 9 NE2 GLN A 1 1.491 -4.882 -3.627 1.00 0.00 N ATOM 0 H1 GLN A 1 0.171 -1.441 0.369 1.00 0.00 H new ATOM 0 H2 GLN A 1 1.077 -1.893 1.732 1.00 0.00 H new ATOM 0 H3 GLN A 1 1.572 -0.576 0.782 1.00 0.00 H new ATOM 0 HA GLN A 1 1.457 -3.397 -0.049 1.00 0.00 H new ATOM 0 HB2 GLN A 1 1.579 -0.889 -1.537 1.00 0.00 H new ATOM 0 HB3 GLN A 1 3.014 -1.850 -1.830 1.00 0.00 H new ATOM 0 HG2 GLN A 1 0.416 -3.307 -1.944 1.00 0.00 H new ATOM 0 HG3 GLN A 1 0.697 -2.129 -3.211 1.00 0.00 H new ATOM 0 HE21 GLN A 1 0.498 -5.034 -3.449 1.00 0.00 H new ATOM 0 HE22 GLN A 1 2.034 -5.589 -4.123 1.00 0.00 H new ATOM 18 N ILE A 2 4.082 -1.444 0.484 1.00 0.00 N ATOM 19 CA ILE A 2 5.451 -1.439 0.984 1.00 0.00 C ATOM 20 C ILE A 2 6.381 -2.200 0.046 1.00 0.00 C ATOM 21 O ILE A 2 6.445 -3.428 0.079 1.00 0.00 O ATOM 22 CB ILE A 2 5.538 -2.061 2.391 1.00 0.00 C ATOM 23 CG1 ILE A 2 4.400 -1.544 3.273 1.00 0.00 C ATOM 24 CG2 ILE A 2 6.887 -1.753 3.023 1.00 0.00 C ATOM 25 CD1 ILE A 2 4.161 -0.056 3.140 1.00 0.00 C ATOM 0 H ILE A 2 3.755 -0.541 0.141 1.00 0.00 H new ATOM 0 HA ILE A 2 5.765 -0.396 1.036 1.00 0.00 H new ATOM 0 HB ILE A 2 5.439 -3.143 2.301 1.00 0.00 H new ATOM 0 HG12 ILE A 2 3.483 -2.075 3.018 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.624 -1.776 4.314 1.00 0.00 H new ATOM 0 HG21 ILE A 2 6.934 -2.199 4.017 1.00 0.00 H new ATOM 0 HG22 ILE A 2 7.682 -2.166 2.402 1.00 0.00 H new ATOM 0 HG23 ILE A 2 7.013 -0.673 3.104 1.00 0.00 H new ATOM 0 HD11 ILE A 2 3.341 0.241 3.793 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.064 0.484 3.424 1.00 0.00 H new ATOM 0 HD13 ILE A 2 3.906 0.181 2.107 1.00 0.00 H new ATOM 37 N ASN A 3 7.104 -1.460 -0.790 1.00 0.00 N ATOM 38 CA ASN A 3 8.033 -2.065 -1.737 1.00 0.00 C ATOM 39 C ASN A 3 9.476 -1.734 -1.370 1.00 0.00 C ATOM 40 O ASN A 3 9.810 -0.580 -1.104 1.00 0.00 O ATOM 41 CB ASN A 3 7.733 -1.581 -3.157 1.00 0.00 C ATOM 42 CG ASN A 3 8.092 -2.614 -4.208 1.00 0.00 C ATOM 43 OD1 ASN A 3 9.280 -3.194 -4.085 1.00 0.00 O flip ATOM 44 ND2 ASN A 3 7.311 -2.886 -5.119 1.00 0.00 N flip ATOM 0 H ASN A 3 7.064 -0.442 -0.830 1.00 0.00 H new ATOM 0 HA ASN A 3 7.904 -3.147 -1.694 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.674 -1.337 -3.238 1.00 0.00 H new ATOM 0 HB3 ASN A 3 8.288 -0.663 -3.350 1.00 0.00 H new ATOM 0 HD21 ASN A 3 6.408 -2.415 -5.174 1.00 0.00 H new ATOM 0 HD22 ASN A 3 7.567 -3.583 -5.819 1.00 0.00 H new ATOM 51 N GLN A 4 10.327 -2.755 -1.358 1.00 0.00 N ATOM 52 CA GLN A 4 11.734 -2.573 -1.023 1.00 0.00 C ATOM 53 C GLN A 4 12.452 -1.772 -2.104 1.00 0.00 C ATOM 54 O GLN A 4 11.899 -1.522 -3.176 1.00 0.00 O ATOM 55 CB GLN A 4 12.417 -3.929 -0.839 1.00 0.00 C ATOM 56 CG GLN A 4 12.225 -4.524 0.547 1.00 0.00 C ATOM 57 CD GLN A 4 10.780 -4.885 0.832 1.00 0.00 C ATOM 58 OE1 GLN A 4 10.234 -4.530 1.878 1.00 0.00 O ATOM 59 NE2 GLN A 4 10.152 -5.594 -0.098 1.00 0.00 N ATOM 0 H GLN A 4 10.066 -3.717 -1.576 1.00 0.00 H new ATOM 0 HA GLN A 4 11.789 -2.017 -0.087 1.00 0.00 H new ATOM 0 HB2 GLN A 4 12.028 -4.626 -1.582 1.00 0.00 H new ATOM 0 HB3 GLN A 4 13.484 -3.818 -1.033 1.00 0.00 H new ATOM 0 HG2 GLN A 4 12.844 -5.416 0.644 1.00 0.00 H new ATOM 0 HG3 GLN A 4 12.572 -3.812 1.295 1.00 0.00 H new ATOM 0 HE21 GLN A 4 10.643 -5.867 -0.950 1.00 0.00 H new ATOM 0 HE22 GLN A 4 9.179 -5.866 0.039 1.00 0.00 H new ATOM 68 N VAL A 5 13.686 -1.371 -1.816 1.00 0.00 N ATOM 69 CA VAL A 5 14.480 -0.598 -2.765 1.00 0.00 C ATOM 70 C VAL A 5 15.971 -0.831 -2.551 1.00 0.00 C ATOM 71 O VAL A 5 16.377 -1.476 -1.584 1.00 0.00 O ATOM 72 CB VAL A 5 14.184 0.909 -2.647 1.00 0.00 C ATOM 73 CG1 VAL A 5 12.794 1.138 -2.073 1.00 0.00 C ATOM 74 CG2 VAL A 5 15.242 1.594 -1.794 1.00 0.00 C ATOM 0 H VAL A 5 14.158 -1.568 -0.934 1.00 0.00 H new ATOM 0 HA VAL A 5 14.202 -0.938 -3.763 1.00 0.00 H new ATOM 0 HB VAL A 5 14.215 1.347 -3.645 1.00 0.00 H new ATOM 0 HG11 VAL A 5 12.603 2.209 -1.997 1.00 0.00 H new ATOM 0 HG12 VAL A 5 12.051 0.682 -2.727 1.00 0.00 H new ATOM 0 HG13 VAL A 5 12.731 0.687 -1.083 1.00 0.00 H new ATOM 0 HG21 VAL A 5 15.018 2.658 -1.721 1.00 0.00 H new ATOM 0 HG22 VAL A 5 15.246 1.155 -0.796 1.00 0.00 H new ATOM 0 HG23 VAL A 5 16.222 1.460 -2.253 1.00 0.00 H new ATOM 84 N ARG A 6 16.783 -0.301 -3.460 1.00 0.00 N ATOM 85 CA ARG A 6 18.231 -0.452 -3.371 1.00 0.00 C ATOM 86 C ARG A 6 18.940 0.777 -3.932 1.00 0.00 C ATOM 87 O ARG A 6 19.077 0.947 -5.143 1.00 0.00 O ATOM 88 CB ARG A 6 18.682 -1.703 -4.126 1.00 0.00 C ATOM 89 CG ARG A 6 18.172 -2.999 -3.517 1.00 0.00 C ATOM 90 CD ARG A 6 18.198 -4.137 -4.526 1.00 0.00 C ATOM 91 NE ARG A 6 19.528 -4.729 -4.648 1.00 0.00 N ATOM 92 CZ ARG A 6 20.121 -5.412 -3.675 1.00 0.00 C ATOM 93 NH1 ARG A 6 19.505 -5.589 -2.515 1.00 0.00 N ATOM 94 NH2 ARG A 6 21.332 -5.921 -3.863 1.00 0.00 N ATOM 0 H ARG A 6 16.463 0.236 -4.266 1.00 0.00 H new ATOM 0 HA ARG A 6 18.497 -0.556 -2.319 1.00 0.00 H new ATOM 0 HB2 ARG A 6 18.339 -1.637 -5.159 1.00 0.00 H new ATOM 0 HB3 ARG A 6 19.771 -1.728 -4.153 1.00 0.00 H new ATOM 0 HG2 ARG A 6 18.784 -3.262 -2.654 1.00 0.00 H new ATOM 0 HG3 ARG A 6 17.154 -2.856 -3.154 1.00 0.00 H new ATOM 0 HD2 ARG A 6 17.485 -4.905 -4.225 1.00 0.00 H new ATOM 0 HD3 ARG A 6 17.875 -3.766 -5.499 1.00 0.00 H new ATOM 0 HE ARG A 6 20.029 -4.611 -5.529 1.00 0.00 H new ATOM 0 HH11 ARG A 6 18.573 -5.200 -2.368 1.00 0.00 H new ATOM 0 HH12 ARG A 6 19.962 -6.114 -1.770 1.00 0.00 H new ATOM 0 HH21 ARG A 6 21.808 -5.788 -4.755 1.00 0.00 H new ATOM 0 HH22 ARG A 6 21.787 -6.445 -3.115 1.00 0.00 H new ATOM 108 N PRO A 7 19.403 1.656 -3.030 1.00 0.00 N ATOM 109 CA PRO A 7 20.106 2.885 -3.411 1.00 0.00 C ATOM 110 C PRO A 7 21.488 2.605 -3.992 1.00 0.00 C ATOM 111 O PRO A 7 22.353 2.043 -3.321 1.00 0.00 O ATOM 112 CB PRO A 7 20.226 3.649 -2.090 1.00 0.00 C ATOM 113 CG PRO A 7 20.179 2.596 -1.038 1.00 0.00 C ATOM 114 CD PRO A 7 19.275 1.519 -1.570 1.00 0.00 C ATOM 0 HA PRO A 7 19.576 3.434 -4.190 1.00 0.00 H new ATOM 0 HB2 PRO A 7 21.157 4.214 -2.043 1.00 0.00 H new ATOM 0 HB3 PRO A 7 19.412 4.364 -1.971 1.00 0.00 H new ATOM 0 HG2 PRO A 7 21.175 2.204 -0.834 1.00 0.00 H new ATOM 0 HG3 PRO A 7 19.797 2.998 -0.100 1.00 0.00 H new ATOM 0 HD2 PRO A 7 19.585 0.531 -1.231 1.00 0.00 H new ATOM 0 HD3 PRO A 7 18.245 1.661 -1.242 1.00 0.00 H new ATOM 122 N LYS A 8 21.689 3.002 -5.244 1.00 0.00 N ATOM 123 CA LYS A 8 22.966 2.796 -5.917 1.00 0.00 C ATOM 124 C LYS A 8 24.060 3.647 -5.279 1.00 0.00 C ATOM 125 O LYS A 8 23.880 4.194 -4.190 1.00 0.00 O ATOM 126 CB LYS A 8 22.844 3.136 -7.404 1.00 0.00 C ATOM 127 CG LYS A 8 21.640 2.499 -8.076 1.00 0.00 C ATOM 128 CD LYS A 8 21.994 1.161 -8.702 1.00 0.00 C ATOM 129 CE LYS A 8 21.381 1.014 -10.087 1.00 0.00 C ATOM 130 NZ LYS A 8 22.192 1.705 -11.128 1.00 0.00 N ATOM 0 H LYS A 8 20.983 3.469 -5.814 1.00 0.00 H new ATOM 0 HA LYS A 8 23.238 1.746 -5.812 1.00 0.00 H new ATOM 0 HB2 LYS A 8 22.782 4.218 -7.517 1.00 0.00 H new ATOM 0 HB3 LYS A 8 23.750 2.813 -7.918 1.00 0.00 H new ATOM 0 HG2 LYS A 8 20.845 2.360 -7.344 1.00 0.00 H new ATOM 0 HG3 LYS A 8 21.253 3.170 -8.843 1.00 0.00 H new ATOM 0 HD2 LYS A 8 23.078 1.065 -8.771 1.00 0.00 H new ATOM 0 HD3 LYS A 8 21.643 0.353 -8.060 1.00 0.00 H new ATOM 0 HE2 LYS A 8 21.295 -0.044 -10.336 1.00 0.00 H new ATOM 0 HE3 LYS A 8 20.371 1.423 -10.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 21.742 1.582 -12.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 22.253 2.719 -10.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 23.149 1.297 -11.150 1.00 0.00 H new ATOM 144 N LEU A 9 25.194 3.755 -5.963 1.00 0.00 N ATOM 145 CA LEU A 9 26.317 4.541 -5.463 1.00 0.00 C ATOM 146 C LEU A 9 25.871 5.950 -5.088 1.00 0.00 C ATOM 147 O LEU A 9 25.959 6.369 -3.934 1.00 0.00 O ATOM 148 CB LEU A 9 27.426 4.607 -6.515 1.00 0.00 C ATOM 149 CG LEU A 9 28.473 3.494 -6.458 1.00 0.00 C ATOM 150 CD1 LEU A 9 29.674 3.846 -7.322 1.00 0.00 C ATOM 151 CD2 LEU A 9 28.904 3.241 -5.020 1.00 0.00 C ATOM 0 H LEU A 9 25.360 3.308 -6.865 1.00 0.00 H new ATOM 0 HA LEU A 9 26.702 4.052 -4.568 1.00 0.00 H new ATOM 0 HB2 LEU A 9 26.964 4.593 -7.502 1.00 0.00 H new ATOM 0 HB3 LEU A 9 27.937 5.565 -6.415 1.00 0.00 H new ATOM 0 HG LEU A 9 28.026 2.580 -6.849 1.00 0.00 H new ATOM 0 HD11 LEU A 9 30.408 3.042 -7.269 1.00 0.00 H new ATOM 0 HD12 LEU A 9 29.353 3.977 -8.355 1.00 0.00 H new ATOM 0 HD13 LEU A 9 30.123 4.772 -6.962 1.00 0.00 H new ATOM 0 HD21 LEU A 9 29.649 2.446 -4.998 1.00 0.00 H new ATOM 0 HD22 LEU A 9 29.333 4.152 -4.603 1.00 0.00 H new ATOM 0 HD23 LEU A 9 28.039 2.943 -4.428 1.00 0.00 H new ATOM 163 N PRO A 10 25.378 6.700 -6.085 1.00 0.00 N ATOM 164 CA PRO A 10 24.906 8.073 -5.883 1.00 0.00 C ATOM 165 C PRO A 10 23.616 8.129 -5.071 1.00 0.00 C ATOM 166 O PRO A 10 23.105 9.210 -4.772 1.00 0.00 O ATOM 167 CB PRO A 10 24.663 8.578 -7.308 1.00 0.00 C ATOM 168 CG PRO A 10 24.404 7.348 -8.106 1.00 0.00 C ATOM 169 CD PRO A 10 25.243 6.266 -7.485 1.00 0.00 C ATOM 0 HA PRO A 10 25.622 8.672 -5.320 1.00 0.00 H new ATOM 0 HB2 PRO A 10 23.814 9.261 -7.347 1.00 0.00 H new ATOM 0 HB3 PRO A 10 25.528 9.122 -7.688 1.00 0.00 H new ATOM 0 HG2 PRO A 10 23.347 7.083 -8.083 1.00 0.00 H new ATOM 0 HG3 PRO A 10 24.672 7.498 -9.152 1.00 0.00 H new ATOM 0 HD2 PRO A 10 24.761 5.291 -7.559 1.00 0.00 H new ATOM 0 HD3 PRO A 10 26.213 6.179 -7.974 1.00 0.00 H new ATOM 177 N LEU A 11 23.094 6.960 -4.718 1.00 0.00 N ATOM 178 CA LEU A 11 21.862 6.876 -3.940 1.00 0.00 C ATOM 179 C LEU A 11 22.142 6.356 -2.533 1.00 0.00 C ATOM 180 O LEU A 11 21.313 6.494 -1.633 1.00 0.00 O ATOM 181 CB LEU A 11 20.854 5.965 -4.642 1.00 0.00 C ATOM 182 CG LEU A 11 19.803 6.666 -5.504 1.00 0.00 C ATOM 183 CD1 LEU A 11 20.314 8.019 -5.974 1.00 0.00 C ATOM 184 CD2 LEU A 11 19.422 5.796 -6.693 1.00 0.00 C ATOM 0 H LEU A 11 23.504 6.057 -4.958 1.00 0.00 H new ATOM 0 HA LEU A 11 21.442 7.879 -3.860 1.00 0.00 H new ATOM 0 HB2 LEU A 11 21.404 5.265 -5.272 1.00 0.00 H new ATOM 0 HB3 LEU A 11 20.339 5.375 -3.884 1.00 0.00 H new ATOM 0 HG LEU A 11 18.912 6.828 -4.897 1.00 0.00 H new ATOM 0 HD11 LEU A 11 19.553 8.503 -6.586 1.00 0.00 H new ATOM 0 HD12 LEU A 11 20.536 8.644 -5.109 1.00 0.00 H new ATOM 0 HD13 LEU A 11 21.220 7.881 -6.564 1.00 0.00 H new ATOM 0 HD21 LEU A 11 18.673 6.311 -7.295 1.00 0.00 H new ATOM 0 HD22 LEU A 11 20.306 5.603 -7.301 1.00 0.00 H new ATOM 0 HD23 LEU A 11 19.013 4.851 -6.336 1.00 0.00 H new ATOM 196 N LEU A 12 23.315 5.760 -2.351 1.00 0.00 N ATOM 197 CA LEU A 12 23.705 5.221 -1.053 1.00 0.00 C ATOM 198 C LEU A 12 24.140 6.337 -0.109 1.00 0.00 C ATOM 199 O LEU A 12 23.784 6.343 1.070 1.00 0.00 O ATOM 200 CB LEU A 12 24.839 4.207 -1.219 1.00 0.00 C ATOM 201 CG LEU A 12 24.737 2.941 -0.368 1.00 0.00 C ATOM 202 CD1 LEU A 12 26.122 2.445 0.018 1.00 0.00 C ATOM 203 CD2 LEU A 12 23.895 3.199 0.873 1.00 0.00 C ATOM 0 H LEU A 12 24.012 5.638 -3.085 1.00 0.00 H new ATOM 0 HA LEU A 12 22.839 4.720 -0.620 1.00 0.00 H new ATOM 0 HB2 LEU A 12 24.886 3.913 -2.268 1.00 0.00 H new ATOM 0 HB3 LEU A 12 25.781 4.703 -0.985 1.00 0.00 H new ATOM 0 HG LEU A 12 24.248 2.167 -0.959 1.00 0.00 H new ATOM 0 HD11 LEU A 12 26.030 1.543 0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 12 26.692 2.220 -0.883 1.00 0.00 H new ATOM 0 HD13 LEU A 12 26.638 3.216 0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 12 23.833 2.287 1.467 1.00 0.00 H new ATOM 0 HD22 LEU A 12 24.355 3.988 1.467 1.00 0.00 H new ATOM 0 HD23 LEU A 12 22.893 3.507 0.575 1.00 0.00 H new ATOM 215 N LYS A 13 24.912 7.283 -0.634 1.00 0.00 N ATOM 216 CA LYS A 13 25.393 8.407 0.160 1.00 0.00 C ATOM 217 C LYS A 13 24.232 9.274 0.636 1.00 0.00 C ATOM 218 O LYS A 13 24.325 9.939 1.668 1.00 0.00 O ATOM 219 CB LYS A 13 26.373 9.252 -0.657 1.00 0.00 C ATOM 220 CG LYS A 13 25.938 9.467 -2.096 1.00 0.00 C ATOM 221 CD LYS A 13 25.898 10.943 -2.452 1.00 0.00 C ATOM 222 CE LYS A 13 27.162 11.377 -3.178 1.00 0.00 C ATOM 223 NZ LYS A 13 27.283 12.859 -3.245 1.00 0.00 N ATOM 0 H LYS A 13 25.218 7.293 -1.607 1.00 0.00 H new ATOM 0 HA LYS A 13 25.907 8.008 1.034 1.00 0.00 H new ATOM 0 HB2 LYS A 13 26.494 10.222 -0.174 1.00 0.00 H new ATOM 0 HB3 LYS A 13 27.350 8.769 -0.650 1.00 0.00 H new ATOM 0 HG2 LYS A 13 26.624 8.949 -2.766 1.00 0.00 H new ATOM 0 HG3 LYS A 13 24.952 9.028 -2.248 1.00 0.00 H new ATOM 0 HD2 LYS A 13 25.030 11.143 -3.080 1.00 0.00 H new ATOM 0 HD3 LYS A 13 25.778 11.534 -1.544 1.00 0.00 H new ATOM 0 HE2 LYS A 13 28.033 10.964 -2.669 1.00 0.00 H new ATOM 0 HE3 LYS A 13 27.159 10.967 -4.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 28.157 13.114 -3.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 26.465 13.251 -3.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 27.311 13.249 -2.281 1.00 0.00 H new ATOM 237 N ILE A 14 23.141 9.260 -0.122 1.00 0.00 N ATOM 238 CA ILE A 14 21.961 10.044 0.225 1.00 0.00 C ATOM 239 C ILE A 14 21.355 9.571 1.542 1.00 0.00 C ATOM 240 O ILE A 14 21.163 10.360 2.468 1.00 0.00 O ATOM 241 CB ILE A 14 20.889 9.966 -0.878 1.00 0.00 C ATOM 242 CG1 ILE A 14 21.500 10.310 -2.238 1.00 0.00 C ATOM 243 CG2 ILE A 14 19.732 10.900 -0.559 1.00 0.00 C ATOM 244 CD1 ILE A 14 21.846 11.774 -2.392 1.00 0.00 C ATOM 0 H ILE A 14 23.049 8.715 -0.979 1.00 0.00 H new ATOM 0 HA ILE A 14 22.289 11.078 0.329 1.00 0.00 H new ATOM 0 HB ILE A 14 20.506 8.947 -0.921 1.00 0.00 H new ATOM 0 HG12 ILE A 14 22.401 9.715 -2.383 1.00 0.00 H new ATOM 0 HG13 ILE A 14 20.800 10.026 -3.024 1.00 0.00 H new ATOM 0 HG21 ILE A 14 18.983 10.834 -1.348 1.00 0.00 H new ATOM 0 HG22 ILE A 14 19.284 10.613 0.392 1.00 0.00 H new ATOM 0 HG23 ILE A 14 20.099 11.924 -0.493 1.00 0.00 H new ATOM 0 HD11 ILE A 14 22.274 11.945 -3.380 1.00 0.00 H new ATOM 0 HD12 ILE A 14 20.944 12.375 -2.279 1.00 0.00 H new ATOM 0 HD13 ILE A 14 22.570 12.059 -1.628 1.00 0.00 H new ATOM 256 N LEU A 15 21.057 8.279 1.620 1.00 0.00 N ATOM 257 CA LEU A 15 20.474 7.699 2.825 1.00 0.00 C ATOM 258 C LEU A 15 21.487 7.680 3.965 1.00 0.00 C ATOM 259 O LEU A 15 21.151 7.971 5.113 1.00 0.00 O ATOM 260 CB LEU A 15 19.980 6.279 2.543 1.00 0.00 C ATOM 261 CG LEU A 15 19.111 6.106 1.297 1.00 0.00 C ATOM 262 CD1 LEU A 15 18.585 4.681 1.207 1.00 0.00 C ATOM 263 CD2 LEU A 15 17.960 7.101 1.307 1.00 0.00 C ATOM 0 H LEU A 15 21.209 7.613 0.863 1.00 0.00 H new ATOM 0 HA LEU A 15 19.629 8.319 3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 15 20.848 5.626 2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 15 19.413 5.935 3.408 1.00 0.00 H new ATOM 0 HG LEU A 15 19.726 6.301 0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 15 17.969 4.576 0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 15 19.423 3.986 1.153 1.00 0.00 H new ATOM 0 HD13 LEU A 15 17.986 4.458 2.090 1.00 0.00 H new ATOM 0 HD21 LEU A 15 17.352 6.963 0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 15 17.345 6.938 2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 15 18.357 8.116 1.323 1.00 0.00 H new ATOM 275 N HIS A 16 22.730 7.338 3.640 1.00 0.00 N ATOM 276 CA HIS A 16 23.794 7.284 4.637 1.00 0.00 C ATOM 277 C HIS A 16 23.928 8.620 5.361 1.00 0.00 C ATOM 278 O HIS A 16 23.968 8.670 6.590 1.00 0.00 O ATOM 279 CB HIS A 16 25.122 6.913 3.977 1.00 0.00 C ATOM 280 CG HIS A 16 25.315 5.438 3.808 1.00 0.00 C ATOM 281 ND1 HIS A 16 26.551 4.829 3.865 1.00 0.00 N ATOM 282 CD2 HIS A 16 24.420 4.447 3.583 1.00 0.00 C ATOM 283 CE1 HIS A 16 26.408 3.529 3.682 1.00 0.00 C ATOM 284 NE2 HIS A 16 25.124 3.271 3.509 1.00 0.00 N ATOM 0 H HIS A 16 23.025 7.094 2.695 1.00 0.00 H new ATOM 0 HA HIS A 16 23.534 6.519 5.368 1.00 0.00 H new ATOM 0 HB2 HIS A 16 25.179 7.393 3.000 1.00 0.00 H new ATOM 0 HB3 HIS A 16 25.940 7.312 4.577 1.00 0.00 H new ATOM 0 HD1 HIS A 16 27.437 5.308 4.024 1.00 0.00 H new ATOM 0 HD2 HIS A 16 23.351 4.561 3.481 1.00 0.00 H new ATOM 0 HE1 HIS A 16 27.205 2.801 3.675 1.00 0.00 H new ATOM 292 N ALA A 17 23.997 9.701 4.591 1.00 0.00 N ATOM 293 CA ALA A 17 24.125 11.037 5.159 1.00 0.00 C ATOM 294 C ALA A 17 22.920 11.382 6.027 1.00 0.00 C ATOM 295 O ALA A 17 22.947 12.351 6.786 1.00 0.00 O ATOM 296 CB ALA A 17 24.292 12.068 4.052 1.00 0.00 C ATOM 0 H ALA A 17 23.966 9.677 3.572 1.00 0.00 H new ATOM 0 HA ALA A 17 25.012 11.052 5.792 1.00 0.00 H new ATOM 0 HB1 ALA A 17 24.386 13.061 4.491 1.00 0.00 H new ATOM 0 HB2 ALA A 17 25.188 11.840 3.474 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.421 12.042 3.397 1.00 0.00 H new ATOM 302 N ALA A 18 21.864 10.584 5.910 1.00 0.00 N ATOM 303 CA ALA A 18 20.650 10.805 6.686 1.00 0.00 C ATOM 304 C ALA A 18 20.574 9.848 7.872 1.00 0.00 C ATOM 305 O ALA A 18 19.572 9.804 8.583 1.00 0.00 O ATOM 306 CB ALA A 18 19.422 10.649 5.801 1.00 0.00 C ATOM 0 H ALA A 18 21.825 9.779 5.285 1.00 0.00 H new ATOM 0 HA ALA A 18 20.678 11.823 7.075 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.523 10.817 6.394 1.00 0.00 H new ATOM 0 HB2 ALA A 18 19.463 11.376 4.990 1.00 0.00 H new ATOM 0 HB3 ALA A 18 19.399 9.642 5.384 1.00 0.00 H new ATOM 312 N GLY A 19 21.642 9.083 8.078 1.00 0.00 N ATOM 313 CA GLY A 19 21.676 8.137 9.178 1.00 0.00 C ATOM 314 C GLY A 19 21.521 6.703 8.714 1.00 0.00 C ATOM 315 O GLY A 19 21.599 5.772 9.515 1.00 0.00 O ATOM 0 H GLY A 19 22.484 9.102 7.503 1.00 0.00 H new ATOM 0 HA2 GLY A 19 22.619 8.242 9.715 1.00 0.00 H new ATOM 0 HA3 GLY A 19 20.880 8.376 9.883 1.00 0.00 H new ATOM 319 N ALA A 20 21.300 6.523 7.416 1.00 0.00 N ATOM 320 CA ALA A 20 21.134 5.191 6.846 1.00 0.00 C ATOM 321 C ALA A 20 22.443 4.409 6.889 1.00 0.00 C ATOM 322 O ALA A 20 23.436 4.875 7.448 1.00 0.00 O ATOM 323 CB ALA A 20 20.622 5.289 5.417 1.00 0.00 C ATOM 0 H ALA A 20 21.232 7.283 6.739 1.00 0.00 H new ATOM 0 HA ALA A 20 20.400 4.654 7.447 1.00 0.00 H new ATOM 0 HB1 ALA A 20 20.503 4.287 5.004 1.00 0.00 H new ATOM 0 HB2 ALA A 20 19.660 5.802 5.410 1.00 0.00 H new ATOM 0 HB3 ALA A 20 21.336 5.848 4.812 1.00 0.00 H new ATOM 329 N GLN A 21 22.436 3.220 6.295 1.00 0.00 N ATOM 330 CA GLN A 21 23.623 2.374 6.268 1.00 0.00 C ATOM 331 C GLN A 21 23.296 0.996 5.701 1.00 0.00 C ATOM 332 O GLN A 21 22.414 0.300 6.203 1.00 0.00 O ATOM 333 CB GLN A 21 24.208 2.234 7.674 1.00 0.00 C ATOM 334 CG GLN A 21 25.681 2.602 7.759 1.00 0.00 C ATOM 335 CD GLN A 21 25.904 4.098 7.855 1.00 0.00 C ATOM 336 OE1 GLN A 21 25.825 4.783 6.720 1.00 0.00 O flip ATOM 337 NE2 GLN A 21 26.144 4.633 8.938 1.00 0.00 N flip ATOM 0 H GLN A 21 21.622 2.821 5.827 1.00 0.00 H new ATOM 0 HA GLN A 21 24.361 2.848 5.621 1.00 0.00 H new ATOM 0 HB2 GLN A 21 23.644 2.868 8.358 1.00 0.00 H new ATOM 0 HB3 GLN A 21 24.079 1.206 8.012 1.00 0.00 H new ATOM 0 HG2 GLN A 21 26.123 2.116 8.629 1.00 0.00 H new ATOM 0 HG3 GLN A 21 26.199 2.217 6.881 1.00 0.00 H new ATOM 0 HE21 GLN A 21 26.196 4.068 9.786 1.00 0.00 H new ATOM 0 HE22 GLN A 21 26.291 5.641 8.987 1.00 0.00 H new ATOM 346 N GLY A 22 24.012 0.609 4.650 1.00 0.00 N ATOM 347 CA GLY A 22 23.783 -0.684 4.032 1.00 0.00 C ATOM 348 C GLY A 22 23.628 -0.588 2.527 1.00 0.00 C ATOM 349 O GLY A 22 24.235 0.271 1.888 1.00 0.00 O ATOM 0 H GLY A 22 24.746 1.168 4.215 1.00 0.00 H new ATOM 0 HA2 GLY A 22 24.615 -1.348 4.267 1.00 0.00 H new ATOM 0 HA3 GLY A 22 22.886 -1.133 4.459 1.00 0.00 H new ATOM 353 N GLU A 23 22.815 -1.473 1.959 1.00 0.00 N ATOM 354 CA GLU A 23 22.585 -1.484 0.519 1.00 0.00 C ATOM 355 C GLU A 23 21.142 -1.866 0.201 1.00 0.00 C ATOM 356 O GLU A 23 20.813 -2.196 -0.937 1.00 0.00 O ATOM 357 CB GLU A 23 23.545 -2.460 -0.165 1.00 0.00 C ATOM 358 CG GLU A 23 25.006 -2.215 0.174 1.00 0.00 C ATOM 359 CD GLU A 23 25.936 -2.565 -0.971 1.00 0.00 C ATOM 360 OE1 GLU A 23 25.496 -2.489 -2.138 1.00 0.00 O ATOM 361 OE2 GLU A 23 27.104 -2.915 -0.701 1.00 0.00 O ATOM 0 H GLU A 23 22.305 -2.191 2.473 1.00 0.00 H new ATOM 0 HA GLU A 23 22.768 -0.479 0.140 1.00 0.00 H new ATOM 0 HB2 GLU A 23 23.280 -3.478 0.121 1.00 0.00 H new ATOM 0 HB3 GLU A 23 23.414 -2.388 -1.245 1.00 0.00 H new ATOM 0 HG2 GLU A 23 25.143 -1.167 0.441 1.00 0.00 H new ATOM 0 HG3 GLU A 23 25.276 -2.805 1.050 1.00 0.00 H new ATOM 368 N MET A 24 20.287 -1.819 1.217 1.00 0.00 N ATOM 369 CA MET A 24 18.879 -2.160 1.047 1.00 0.00 C ATOM 370 C MET A 24 18.005 -1.353 2.002 1.00 0.00 C ATOM 371 O MET A 24 18.377 -1.120 3.152 1.00 0.00 O ATOM 372 CB MET A 24 18.662 -3.656 1.279 1.00 0.00 C ATOM 373 CG MET A 24 19.114 -4.130 2.650 1.00 0.00 C ATOM 374 SD MET A 24 20.909 -4.219 2.798 1.00 0.00 S ATOM 375 CE MET A 24 21.320 -5.195 1.353 1.00 0.00 C ATOM 0 H MET A 24 20.544 -1.548 2.166 1.00 0.00 H new ATOM 0 HA MET A 24 18.593 -1.914 0.025 1.00 0.00 H new ATOM 0 HB2 MET A 24 17.603 -3.885 1.155 1.00 0.00 H new ATOM 0 HB3 MET A 24 19.201 -4.216 0.514 1.00 0.00 H new ATOM 0 HG2 MET A 24 18.724 -3.454 3.411 1.00 0.00 H new ATOM 0 HG3 MET A 24 18.688 -5.113 2.849 1.00 0.00 H new ATOM 0 HE1 MET A 24 22.337 -5.576 1.449 1.00 0.00 H new ATOM 0 HE2 MET A 24 20.625 -6.031 1.269 1.00 0.00 H new ATOM 0 HE3 MET A 24 21.248 -4.573 0.461 1.00 0.00 H new ATOM 385 N PHE A 25 16.842 -0.930 1.518 1.00 0.00 N ATOM 386 CA PHE A 25 15.916 -0.148 2.329 1.00 0.00 C ATOM 387 C PHE A 25 14.513 -0.171 1.728 1.00 0.00 C ATOM 388 O PHE A 25 14.346 -0.327 0.518 1.00 0.00 O ATOM 389 CB PHE A 25 16.406 1.295 2.454 1.00 0.00 C ATOM 390 CG PHE A 25 17.824 1.407 2.938 1.00 0.00 C ATOM 391 CD1 PHE A 25 18.122 1.281 4.285 1.00 0.00 C ATOM 392 CD2 PHE A 25 18.858 1.638 2.046 1.00 0.00 C ATOM 393 CE1 PHE A 25 19.425 1.383 4.734 1.00 0.00 C ATOM 394 CE2 PHE A 25 20.164 1.741 2.488 1.00 0.00 C ATOM 395 CZ PHE A 25 20.447 1.614 3.834 1.00 0.00 C ATOM 0 H PHE A 25 16.518 -1.115 0.569 1.00 0.00 H new ATOM 0 HA PHE A 25 15.874 -0.597 3.322 1.00 0.00 H new ATOM 0 HB2 PHE A 25 16.322 1.784 1.484 1.00 0.00 H new ATOM 0 HB3 PHE A 25 15.753 1.834 3.140 1.00 0.00 H new ATOM 0 HD1 PHE A 25 17.326 1.101 4.993 1.00 0.00 H new ATOM 0 HD2 PHE A 25 18.642 1.739 0.993 1.00 0.00 H new ATOM 0 HE1 PHE A 25 19.644 1.282 5.787 1.00 0.00 H new ATOM 0 HE2 PHE A 25 20.961 1.920 1.782 1.00 0.00 H new ATOM 0 HZ PHE A 25 21.466 1.695 4.182 1.00 0.00 H new ATOM 405 N THR A 26 13.507 -0.014 2.582 1.00 0.00 N ATOM 406 CA THR A 26 12.119 -0.018 2.136 1.00 0.00 C ATOM 407 C THR A 26 11.604 1.402 1.929 1.00 0.00 C ATOM 408 O THR A 26 12.348 2.371 2.082 1.00 0.00 O ATOM 409 CB THR A 26 11.207 -0.740 3.146 1.00 0.00 C ATOM 410 OG1 THR A 26 11.977 -1.192 4.266 1.00 0.00 O ATOM 411 CG2 THR A 26 10.508 -1.923 2.494 1.00 0.00 C ATOM 0 H THR A 26 13.627 0.118 3.586 1.00 0.00 H new ATOM 0 HA THR A 26 12.093 -0.553 1.187 1.00 0.00 H new ATOM 0 HB THR A 26 10.450 -0.034 3.488 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.390 -1.648 4.904 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.870 -2.417 3.226 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.900 -1.572 1.661 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.253 -2.629 2.127 1.00 0.00 H new ATOM 419 N VAL A 27 10.327 1.518 1.579 1.00 0.00 N ATOM 420 CA VAL A 27 9.712 2.820 1.351 1.00 0.00 C ATOM 421 C VAL A 27 9.816 3.701 2.592 1.00 0.00 C ATOM 422 O VAL A 27 10.084 4.899 2.496 1.00 0.00 O ATOM 423 CB VAL A 27 8.230 2.680 0.957 1.00 0.00 C ATOM 424 CG1 VAL A 27 7.770 3.897 0.169 1.00 0.00 C ATOM 425 CG2 VAL A 27 8.010 1.404 0.159 1.00 0.00 C ATOM 0 H VAL A 27 9.698 0.726 1.447 1.00 0.00 H new ATOM 0 HA VAL A 27 10.255 3.287 0.530 1.00 0.00 H new ATOM 0 HB VAL A 27 7.634 2.620 1.867 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.720 3.780 -0.101 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.891 4.792 0.779 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.369 3.992 -0.737 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.957 1.321 -0.111 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.616 1.432 -0.747 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.299 0.543 0.762 1.00 0.00 H new ATOM 435 N LYS A 28 9.602 3.099 3.757 1.00 0.00 N ATOM 436 CA LYS A 28 9.672 3.827 5.018 1.00 0.00 C ATOM 437 C LYS A 28 11.107 4.242 5.328 1.00 0.00 C ATOM 438 O LYS A 28 11.375 5.404 5.629 1.00 0.00 O ATOM 439 CB LYS A 28 9.122 2.967 6.158 1.00 0.00 C ATOM 440 CG LYS A 28 7.708 3.338 6.572 1.00 0.00 C ATOM 441 CD LYS A 28 6.736 2.197 6.323 1.00 0.00 C ATOM 442 CE LYS A 28 6.960 1.562 4.959 1.00 0.00 C ATOM 443 NZ LYS A 28 7.684 0.265 5.064 1.00 0.00 N ATOM 0 H LYS A 28 9.379 2.108 3.854 1.00 0.00 H new ATOM 0 HA LYS A 28 9.064 4.727 4.923 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.140 1.921 5.854 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.781 3.059 7.022 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.695 3.604 7.629 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.385 4.219 6.018 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.852 1.442 7.101 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.713 2.568 6.389 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.999 1.403 4.470 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.529 2.246 4.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.327 0.160 4.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.233 0.244 5.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.998 -0.517 5.065 1.00 0.00 H new ATOM 457 N GLU A 29 12.025 3.283 5.251 1.00 0.00 N ATOM 458 CA GLU A 29 13.433 3.551 5.523 1.00 0.00 C ATOM 459 C GLU A 29 13.990 4.578 4.541 1.00 0.00 C ATOM 460 O GLU A 29 14.788 5.439 4.912 1.00 0.00 O ATOM 461 CB GLU A 29 14.246 2.257 5.441 1.00 0.00 C ATOM 462 CG GLU A 29 13.795 1.192 6.427 1.00 0.00 C ATOM 463 CD GLU A 29 14.816 0.084 6.595 1.00 0.00 C ATOM 464 OE1 GLU A 29 15.418 -0.327 5.580 1.00 0.00 O ATOM 465 OE2 GLU A 29 15.012 -0.374 7.740 1.00 0.00 O ATOM 0 H GLU A 29 11.819 2.315 5.003 1.00 0.00 H new ATOM 0 HA GLU A 29 13.512 3.958 6.531 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.176 1.857 4.429 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.296 2.486 5.621 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.605 1.655 7.395 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.852 0.764 6.088 1.00 0.00 H new ATOM 472 N VAL A 30 13.565 4.479 3.285 1.00 0.00 N ATOM 473 CA VAL A 30 14.021 5.399 2.250 1.00 0.00 C ATOM 474 C VAL A 30 13.480 6.804 2.486 1.00 0.00 C ATOM 475 O VAL A 30 14.201 7.791 2.338 1.00 0.00 O ATOM 476 CB VAL A 30 13.590 4.924 0.849 1.00 0.00 C ATOM 477 CG1 VAL A 30 13.962 5.958 -0.203 1.00 0.00 C ATOM 478 CG2 VAL A 30 14.217 3.576 0.528 1.00 0.00 C ATOM 0 H VAL A 30 12.906 3.771 2.960 1.00 0.00 H new ATOM 0 HA VAL A 30 15.110 5.419 2.301 1.00 0.00 H new ATOM 0 HB VAL A 30 12.506 4.806 0.841 1.00 0.00 H new ATOM 0 HG11 VAL A 30 13.650 5.605 -1.186 1.00 0.00 H new ATOM 0 HG12 VAL A 30 13.462 6.900 0.020 1.00 0.00 H new ATOM 0 HG13 VAL A 30 15.041 6.110 -0.198 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.902 3.255 -0.465 1.00 0.00 H new ATOM 0 HG22 VAL A 30 15.303 3.665 0.553 1.00 0.00 H new ATOM 0 HG23 VAL A 30 13.896 2.840 1.266 1.00 0.00 H new ATOM 488 N MET A 31 12.206 6.888 2.856 1.00 0.00 N ATOM 489 CA MET A 31 11.570 8.174 3.115 1.00 0.00 C ATOM 490 C MET A 31 12.115 8.804 4.393 1.00 0.00 C ATOM 491 O MET A 31 12.382 10.005 4.440 1.00 0.00 O ATOM 492 CB MET A 31 10.053 8.004 3.223 1.00 0.00 C ATOM 493 CG MET A 31 9.467 8.579 4.502 1.00 0.00 C ATOM 494 SD MET A 31 9.570 10.378 4.566 1.00 0.00 S ATOM 495 CE MET A 31 8.843 10.815 2.988 1.00 0.00 C ATOM 0 H MET A 31 11.595 6.081 2.983 1.00 0.00 H new ATOM 0 HA MET A 31 11.796 8.837 2.280 1.00 0.00 H new ATOM 0 HB2 MET A 31 9.580 8.486 2.367 1.00 0.00 H new ATOM 0 HB3 MET A 31 9.809 6.943 3.166 1.00 0.00 H new ATOM 0 HG2 MET A 31 8.424 8.275 4.587 1.00 0.00 H new ATOM 0 HG3 MET A 31 9.993 8.158 5.359 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.430 11.822 3.044 1.00 0.00 H new ATOM 0 HE2 MET A 31 9.608 10.779 2.213 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.048 10.110 2.746 1.00 0.00 H new ATOM 505 N HIS A 32 12.277 7.985 5.427 1.00 0.00 N ATOM 506 CA HIS A 32 12.791 8.462 6.706 1.00 0.00 C ATOM 507 C HIS A 32 14.153 9.128 6.530 1.00 0.00 C ATOM 508 O HIS A 32 14.517 10.029 7.286 1.00 0.00 O ATOM 509 CB HIS A 32 12.901 7.305 7.700 1.00 0.00 C ATOM 510 CG HIS A 32 12.721 7.722 9.127 1.00 0.00 C ATOM 511 ND1 HIS A 32 11.764 7.175 9.956 1.00 0.00 N ATOM 512 CD2 HIS A 32 13.383 8.638 9.872 1.00 0.00 C ATOM 513 CE1 HIS A 32 11.845 7.737 11.149 1.00 0.00 C ATOM 514 NE2 HIS A 32 12.819 8.628 11.124 1.00 0.00 N ATOM 0 H HIS A 32 12.060 6.989 5.405 1.00 0.00 H new ATOM 0 HA HIS A 32 12.092 9.201 7.097 1.00 0.00 H new ATOM 0 HB2 HIS A 32 12.152 6.552 7.453 1.00 0.00 H new ATOM 0 HB3 HIS A 32 13.877 6.833 7.588 1.00 0.00 H new ATOM 0 HD2 HIS A 32 14.202 9.261 9.543 1.00 0.00 H new ATOM 0 HE1 HIS A 32 11.221 7.507 12.000 1.00 0.00 H new ATOM 0 HE2 HIS A 32 13.106 9.214 11.908 1.00 0.00 H new ATOM 522 N TYR A 33 14.901 8.677 5.530 1.00 0.00 N ATOM 523 CA TYR A 33 16.224 9.226 5.257 1.00 0.00 C ATOM 524 C TYR A 33 16.119 10.604 4.610 1.00 0.00 C ATOM 525 O TYR A 33 16.936 11.488 4.867 1.00 0.00 O ATOM 526 CB TYR A 33 17.014 8.283 4.348 1.00 0.00 C ATOM 527 CG TYR A 33 17.329 6.949 4.988 1.00 0.00 C ATOM 528 CD1 TYR A 33 17.727 6.871 6.317 1.00 0.00 C ATOM 529 CD2 TYR A 33 17.228 5.768 4.263 1.00 0.00 C ATOM 530 CE1 TYR A 33 18.017 5.655 6.905 1.00 0.00 C ATOM 531 CE2 TYR A 33 17.514 4.548 4.843 1.00 0.00 C ATOM 532 CZ TYR A 33 17.909 4.496 6.164 1.00 0.00 C ATOM 533 OH TYR A 33 18.195 3.283 6.746 1.00 0.00 O ATOM 0 H TYR A 33 14.614 7.932 4.895 1.00 0.00 H new ATOM 0 HA TYR A 33 16.749 9.329 6.207 1.00 0.00 H new ATOM 0 HB2 TYR A 33 16.446 8.113 3.433 1.00 0.00 H new ATOM 0 HB3 TYR A 33 17.947 8.767 4.059 1.00 0.00 H new ATOM 0 HD1 TYR A 33 17.811 7.776 6.900 1.00 0.00 H new ATOM 0 HD2 TYR A 33 16.921 5.805 3.228 1.00 0.00 H new ATOM 0 HE1 TYR A 33 18.326 5.612 7.939 1.00 0.00 H new ATOM 0 HE2 TYR A 33 17.429 3.639 4.266 1.00 0.00 H new ATOM 0 HH TYR A 33 18.244 2.591 6.054 1.00 0.00 H new ATOM 543 N LEU A 34 15.106 10.779 3.768 1.00 0.00 N ATOM 544 CA LEU A 34 14.891 12.049 3.083 1.00 0.00 C ATOM 545 C LEU A 34 14.908 13.210 4.071 1.00 0.00 C ATOM 546 O LEU A 34 15.721 14.126 3.954 1.00 0.00 O ATOM 547 CB LEU A 34 13.560 12.025 2.329 1.00 0.00 C ATOM 548 CG LEU A 34 13.653 11.972 0.804 1.00 0.00 C ATOM 549 CD1 LEU A 34 14.382 13.195 0.270 1.00 0.00 C ATOM 550 CD2 LEU A 34 14.352 10.696 0.357 1.00 0.00 C ATOM 0 H LEU A 34 14.421 10.058 3.543 1.00 0.00 H new ATOM 0 HA LEU A 34 15.703 12.191 2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 34 12.989 11.161 2.668 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.992 12.912 2.608 1.00 0.00 H new ATOM 0 HG LEU A 34 12.642 11.971 0.398 1.00 0.00 H new ATOM 0 HD11 LEU A 34 14.438 13.139 -0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 34 13.841 14.096 0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.390 13.228 0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 34 14.410 10.675 -0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 34 15.359 10.667 0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.789 9.831 0.708 1.00 0.00 H new ATOM 562 N GLY A 35 14.006 13.165 5.047 1.00 0.00 N ATOM 563 CA GLY A 35 13.937 14.218 6.043 1.00 0.00 C ATOM 564 C GLY A 35 15.270 14.463 6.722 1.00 0.00 C ATOM 565 O GLY A 35 15.702 15.607 6.858 1.00 0.00 O ATOM 0 H GLY A 35 13.322 12.418 5.165 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.599 15.140 5.570 1.00 0.00 H new ATOM 0 HA3 GLY A 35 13.193 13.954 6.795 1.00 0.00 H new ATOM 569 N GLN A 36 15.921 13.386 7.149 1.00 0.00 N ATOM 570 CA GLN A 36 17.212 13.491 7.820 1.00 0.00 C ATOM 571 C GLN A 36 18.238 14.174 6.922 1.00 0.00 C ATOM 572 O GLN A 36 18.999 15.030 7.373 1.00 0.00 O ATOM 573 CB GLN A 36 17.714 12.104 8.225 1.00 0.00 C ATOM 574 CG GLN A 36 16.888 11.454 9.323 1.00 0.00 C ATOM 575 CD GLN A 36 17.717 11.090 10.539 1.00 0.00 C ATOM 576 OE1 GLN A 36 17.652 9.964 11.034 1.00 0.00 O ATOM 577 NE2 GLN A 36 18.503 12.042 11.027 1.00 0.00 N ATOM 0 H GLN A 36 15.577 12.432 7.043 1.00 0.00 H new ATOM 0 HA GLN A 36 17.079 14.098 8.716 1.00 0.00 H new ATOM 0 HB2 GLN A 36 17.712 11.456 7.349 1.00 0.00 H new ATOM 0 HB3 GLN A 36 18.748 12.185 8.559 1.00 0.00 H new ATOM 0 HG2 GLN A 36 16.090 12.133 9.622 1.00 0.00 H new ATOM 0 HG3 GLN A 36 16.412 10.556 8.931 1.00 0.00 H new ATOM 0 HE21 GLN A 36 18.526 12.961 10.585 1.00 0.00 H new ATOM 0 HE22 GLN A 36 19.084 11.854 11.844 1.00 0.00 H new ATOM 586 N TYR A 37 18.252 13.791 5.651 1.00 0.00 N ATOM 587 CA TYR A 37 19.187 14.365 4.690 1.00 0.00 C ATOM 588 C TYR A 37 18.995 15.874 4.578 1.00 0.00 C ATOM 589 O TYR A 37 19.960 16.638 4.620 1.00 0.00 O ATOM 590 CB TYR A 37 19.005 13.713 3.318 1.00 0.00 C ATOM 591 CG TYR A 37 19.957 14.239 2.267 1.00 0.00 C ATOM 592 CD1 TYR A 37 21.300 13.884 2.279 1.00 0.00 C ATOM 593 CD2 TYR A 37 19.513 15.089 1.262 1.00 0.00 C ATOM 594 CE1 TYR A 37 22.174 14.362 1.321 1.00 0.00 C ATOM 595 CE2 TYR A 37 20.379 15.571 0.300 1.00 0.00 C ATOM 596 CZ TYR A 37 21.708 15.205 0.334 1.00 0.00 C ATOM 597 OH TYR A 37 22.575 15.683 -0.623 1.00 0.00 O ATOM 0 H TYR A 37 17.627 13.086 5.261 1.00 0.00 H new ATOM 0 HA TYR A 37 20.199 14.171 5.046 1.00 0.00 H new ATOM 0 HB2 TYR A 37 19.143 12.636 3.415 1.00 0.00 H new ATOM 0 HB3 TYR A 37 17.981 13.874 2.982 1.00 0.00 H new ATOM 0 HD1 TYR A 37 21.667 13.223 3.050 1.00 0.00 H new ATOM 0 HD2 TYR A 37 18.473 15.378 1.232 1.00 0.00 H new ATOM 0 HE1 TYR A 37 23.215 14.077 1.345 1.00 0.00 H new ATOM 0 HE2 TYR A 37 20.017 16.231 -0.475 1.00 0.00 H new ATOM 0 HH TYR A 37 22.596 16.662 -0.585 1.00 0.00 H new ATOM 607 N ILE A 38 17.743 16.296 4.436 1.00 0.00 N ATOM 608 CA ILE A 38 17.424 17.713 4.320 1.00 0.00 C ATOM 609 C ILE A 38 17.897 18.486 5.547 1.00 0.00 C ATOM 610 O ILE A 38 18.551 19.521 5.427 1.00 0.00 O ATOM 611 CB ILE A 38 15.910 17.936 4.140 1.00 0.00 C ATOM 612 CG1 ILE A 38 15.397 17.148 2.933 1.00 0.00 C ATOM 613 CG2 ILE A 38 15.609 19.419 3.978 1.00 0.00 C ATOM 614 CD1 ILE A 38 13.891 17.160 2.800 1.00 0.00 C ATOM 0 H ILE A 38 16.933 15.677 4.399 1.00 0.00 H new ATOM 0 HA ILE A 38 17.946 18.082 3.437 1.00 0.00 H new ATOM 0 HB ILE A 38 15.396 17.576 5.031 1.00 0.00 H new ATOM 0 HG12 ILE A 38 15.837 17.562 2.026 1.00 0.00 H new ATOM 0 HG13 ILE A 38 15.739 16.116 3.011 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.536 19.561 3.852 1.00 0.00 H new ATOM 0 HG22 ILE A 38 15.944 19.957 4.864 1.00 0.00 H new ATOM 0 HG23 ILE A 38 16.131 19.803 3.101 1.00 0.00 H new ATOM 0 HD11 ILE A 38 13.599 16.582 1.923 1.00 0.00 H new ATOM 0 HD12 ILE A 38 13.444 16.719 3.691 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.544 18.187 2.690 1.00 0.00 H new ATOM 626 N MET A 39 17.562 17.974 6.727 1.00 0.00 N ATOM 627 CA MET A 39 17.956 18.615 7.977 1.00 0.00 C ATOM 628 C MET A 39 19.470 18.563 8.161 1.00 0.00 C ATOM 629 O MET A 39 20.049 19.398 8.855 1.00 0.00 O ATOM 630 CB MET A 39 17.264 17.939 9.162 1.00 0.00 C ATOM 631 CG MET A 39 17.964 16.675 9.634 1.00 0.00 C ATOM 632 SD MET A 39 18.581 16.813 11.323 1.00 0.00 S ATOM 633 CE MET A 39 19.593 18.285 11.193 1.00 0.00 C ATOM 0 H MET A 39 17.019 17.118 6.844 1.00 0.00 H new ATOM 0 HA MET A 39 17.648 19.660 7.933 1.00 0.00 H new ATOM 0 HB2 MET A 39 17.208 18.645 9.991 1.00 0.00 H new ATOM 0 HB3 MET A 39 16.239 17.694 8.883 1.00 0.00 H new ATOM 0 HG2 MET A 39 17.271 15.836 9.572 1.00 0.00 H new ATOM 0 HG3 MET A 39 18.795 16.453 8.965 1.00 0.00 H new ATOM 0 HE1 MET A 39 20.002 18.533 12.172 1.00 0.00 H new ATOM 0 HE2 MET A 39 20.409 18.105 10.493 1.00 0.00 H new ATOM 0 HE3 MET A 39 18.984 19.115 10.834 1.00 0.00 H new ATOM 643 N VAL A 40 20.105 17.578 7.534 1.00 0.00 N ATOM 644 CA VAL A 40 21.551 17.418 7.628 1.00 0.00 C ATOM 645 C VAL A 40 22.275 18.463 6.785 1.00 0.00 C ATOM 646 O VAL A 40 23.304 19.001 7.194 1.00 0.00 O ATOM 647 CB VAL A 40 21.991 16.014 7.174 1.00 0.00 C ATOM 648 CG1 VAL A 40 22.735 16.089 5.850 1.00 0.00 C ATOM 649 CG2 VAL A 40 22.852 15.355 8.242 1.00 0.00 C ATOM 0 H VAL A 40 19.640 16.878 6.955 1.00 0.00 H new ATOM 0 HA VAL A 40 21.817 17.553 8.676 1.00 0.00 H new ATOM 0 HB VAL A 40 21.100 15.403 7.028 1.00 0.00 H new ATOM 0 HG11 VAL A 40 23.038 15.087 5.546 1.00 0.00 H new ATOM 0 HG12 VAL A 40 22.082 16.518 5.090 1.00 0.00 H new ATOM 0 HG13 VAL A 40 23.619 16.716 5.964 1.00 0.00 H new ATOM 0 HG21 VAL A 40 23.154 14.363 7.905 1.00 0.00 H new ATOM 0 HG22 VAL A 40 23.739 15.963 8.421 1.00 0.00 H new ATOM 0 HG23 VAL A 40 22.281 15.266 9.166 1.00 0.00 H new ATOM 659 N LYS A 41 21.730 18.745 5.607 1.00 0.00 N ATOM 660 CA LYS A 41 22.322 19.727 4.706 1.00 0.00 C ATOM 661 C LYS A 41 21.749 21.117 4.964 1.00 0.00 C ATOM 662 O LYS A 41 22.282 22.116 4.481 1.00 0.00 O ATOM 663 CB LYS A 41 22.077 19.325 3.249 1.00 0.00 C ATOM 664 CG LYS A 41 23.206 18.507 2.647 1.00 0.00 C ATOM 665 CD LYS A 41 24.528 19.253 2.705 1.00 0.00 C ATOM 666 CE LYS A 41 25.575 18.473 3.486 1.00 0.00 C ATOM 667 NZ LYS A 41 25.816 17.126 2.898 1.00 0.00 N ATOM 0 H LYS A 41 20.879 18.307 5.254 1.00 0.00 H new ATOM 0 HA LYS A 41 23.395 19.755 4.894 1.00 0.00 H new ATOM 0 HB2 LYS A 41 21.152 18.751 3.190 1.00 0.00 H new ATOM 0 HB3 LYS A 41 21.933 20.225 2.652 1.00 0.00 H new ATOM 0 HG2 LYS A 41 23.297 17.562 3.182 1.00 0.00 H new ATOM 0 HG3 LYS A 41 22.969 18.265 1.611 1.00 0.00 H new ATOM 0 HD2 LYS A 41 24.889 19.435 1.693 1.00 0.00 H new ATOM 0 HD3 LYS A 41 24.377 20.227 3.170 1.00 0.00 H new ATOM 0 HE2 LYS A 41 26.509 19.035 3.502 1.00 0.00 H new ATOM 0 HE3 LYS A 41 25.250 18.365 4.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 26.788 16.824 3.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 25.145 16.444 3.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 25.683 17.168 1.867 1.00 0.00 H new ATOM 681 N GLN A 42 20.663 21.172 5.728 1.00 0.00 N ATOM 682 CA GLN A 42 20.020 22.441 6.049 1.00 0.00 C ATOM 683 C GLN A 42 19.457 23.100 4.794 1.00 0.00 C ATOM 684 O GLN A 42 19.717 24.274 4.527 1.00 0.00 O ATOM 685 CB GLN A 42 21.014 23.382 6.732 1.00 0.00 C ATOM 686 CG GLN A 42 20.969 23.316 8.250 1.00 0.00 C ATOM 687 CD GLN A 42 22.074 22.456 8.830 1.00 0.00 C ATOM 688 OE1 GLN A 42 22.393 21.362 8.148 1.00 0.00 O flip ATOM 689 NE2 GLN A 42 22.634 22.769 9.881 1.00 0.00 N flip ATOM 0 H GLN A 42 20.210 20.354 6.136 1.00 0.00 H new ATOM 0 HA GLN A 42 19.195 22.238 6.731 1.00 0.00 H new ATOM 0 HB2 GLN A 42 22.022 23.139 6.396 1.00 0.00 H new ATOM 0 HB3 GLN A 42 20.810 24.405 6.415 1.00 0.00 H new ATOM 0 HG2 GLN A 42 21.048 24.324 8.656 1.00 0.00 H new ATOM 0 HG3 GLN A 42 20.003 22.920 8.564 1.00 0.00 H new ATOM 0 HE21 GLN A 42 22.357 23.619 10.373 1.00 0.00 H new ATOM 0 HE22 GLN A 42 23.374 22.179 10.260 1.00 0.00 H new ATOM 698 N LEU A 43 18.686 22.337 4.027 1.00 0.00 N ATOM 699 CA LEU A 43 18.086 22.847 2.799 1.00 0.00 C ATOM 700 C LEU A 43 16.575 22.990 2.949 1.00 0.00 C ATOM 701 O LEU A 43 15.807 22.419 2.175 1.00 0.00 O ATOM 702 CB LEU A 43 18.408 21.918 1.627 1.00 0.00 C ATOM 703 CG LEU A 43 19.794 22.081 1.003 1.00 0.00 C ATOM 704 CD1 LEU A 43 19.764 23.126 -0.101 1.00 0.00 C ATOM 705 CD2 LEU A 43 20.817 22.455 2.066 1.00 0.00 C ATOM 0 H LEU A 43 18.462 21.364 4.234 1.00 0.00 H new ATOM 0 HA LEU A 43 18.507 23.832 2.600 1.00 0.00 H new ATOM 0 HB2 LEU A 43 18.303 20.888 1.967 1.00 0.00 H new ATOM 0 HB3 LEU A 43 17.661 22.075 0.849 1.00 0.00 H new ATOM 0 HG LEU A 43 20.087 21.127 0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 43 20.760 23.228 -0.533 1.00 0.00 H new ATOM 0 HD12 LEU A 43 19.062 22.817 -0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 43 19.449 24.084 0.313 1.00 0.00 H new ATOM 0 HD21 LEU A 43 21.798 22.567 1.604 1.00 0.00 H new ATOM 0 HD22 LEU A 43 20.527 23.395 2.535 1.00 0.00 H new ATOM 0 HD23 LEU A 43 20.860 21.671 2.822 1.00 0.00 H new ATOM 717 N TYR A 44 16.155 23.758 3.949 1.00 0.00 N ATOM 718 CA TYR A 44 14.736 23.976 4.201 1.00 0.00 C ATOM 719 C TYR A 44 14.502 25.330 4.865 1.00 0.00 C ATOM 720 O TYR A 44 15.431 25.946 5.387 1.00 0.00 O ATOM 721 CB TYR A 44 14.175 22.859 5.083 1.00 0.00 C ATOM 722 CG TYR A 44 14.836 22.771 6.440 1.00 0.00 C ATOM 723 CD1 TYR A 44 16.087 22.185 6.589 1.00 0.00 C ATOM 724 CD2 TYR A 44 14.209 23.273 7.574 1.00 0.00 C ATOM 725 CE1 TYR A 44 16.694 22.102 7.827 1.00 0.00 C ATOM 726 CE2 TYR A 44 14.809 23.195 8.816 1.00 0.00 C ATOM 727 CZ TYR A 44 16.051 22.608 8.937 1.00 0.00 C ATOM 728 OH TYR A 44 16.653 22.528 10.172 1.00 0.00 O ATOM 0 H TYR A 44 16.777 24.240 4.598 1.00 0.00 H new ATOM 0 HA TYR A 44 14.218 23.967 3.242 1.00 0.00 H new ATOM 0 HB2 TYR A 44 13.105 23.017 5.219 1.00 0.00 H new ATOM 0 HB3 TYR A 44 14.294 21.906 4.568 1.00 0.00 H new ATOM 0 HD1 TYR A 44 16.594 21.788 5.722 1.00 0.00 H new ATOM 0 HD2 TYR A 44 13.236 23.732 7.483 1.00 0.00 H new ATOM 0 HE1 TYR A 44 17.667 21.643 7.925 1.00 0.00 H new ATOM 0 HE2 TYR A 44 14.308 23.591 9.687 1.00 0.00 H new ATOM 0 HH TYR A 44 16.958 23.418 10.445 1.00 0.00 H new ATOM 738 N ASP A 45 13.254 25.785 4.841 1.00 0.00 N ATOM 739 CA ASP A 45 12.896 27.065 5.442 1.00 0.00 C ATOM 740 C ASP A 45 12.815 26.948 6.961 1.00 0.00 C ATOM 741 O ASP A 45 11.883 26.349 7.497 1.00 0.00 O ATOM 742 CB ASP A 45 11.560 27.558 4.884 1.00 0.00 C ATOM 743 CG ASP A 45 10.943 28.647 5.738 1.00 0.00 C ATOM 744 OD1 ASP A 45 11.703 29.383 6.401 1.00 0.00 O ATOM 745 OD2 ASP A 45 9.699 28.764 5.745 1.00 0.00 O ATOM 0 H ASP A 45 12.474 25.287 4.412 1.00 0.00 H new ATOM 0 HA ASP A 45 13.674 27.787 5.192 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.709 27.934 3.872 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.867 26.719 4.813 1.00 0.00 H new ATOM 750 N GLN A 46 13.797 27.524 7.647 1.00 0.00 N ATOM 751 CA GLN A 46 13.837 27.482 9.104 1.00 0.00 C ATOM 752 C GLN A 46 12.500 27.913 9.697 1.00 0.00 C ATOM 753 O GLN A 46 12.123 27.475 10.784 1.00 0.00 O ATOM 754 CB GLN A 46 14.956 28.382 9.630 1.00 0.00 C ATOM 755 CG GLN A 46 16.282 27.662 9.811 1.00 0.00 C ATOM 756 CD GLN A 46 16.485 26.551 8.800 1.00 0.00 C ATOM 757 OE1 GLN A 46 16.631 25.383 9.164 1.00 0.00 O ATOM 758 NE2 GLN A 46 16.494 26.908 7.521 1.00 0.00 N ATOM 0 H GLN A 46 14.575 28.025 7.218 1.00 0.00 H new ATOM 0 HA GLN A 46 14.034 26.454 9.408 1.00 0.00 H new ATOM 0 HB2 GLN A 46 15.095 29.215 8.941 1.00 0.00 H new ATOM 0 HB3 GLN A 46 14.650 28.807 10.586 1.00 0.00 H new ATOM 0 HG2 GLN A 46 17.096 28.381 9.724 1.00 0.00 H new ATOM 0 HG3 GLN A 46 16.331 27.246 10.817 1.00 0.00 H new ATOM 0 HE21 GLN A 46 16.369 27.887 7.264 1.00 0.00 H new ATOM 0 HE22 GLN A 46 16.625 26.203 6.796 1.00 0.00 H new ATOM 767 N GLN A 47 11.788 28.774 8.977 1.00 0.00 N ATOM 768 CA GLN A 47 10.493 29.265 9.434 1.00 0.00 C ATOM 769 C GLN A 47 9.398 28.236 9.174 1.00 0.00 C ATOM 770 O GLN A 47 8.371 28.225 9.851 1.00 0.00 O ATOM 771 CB GLN A 47 10.149 30.582 8.737 1.00 0.00 C ATOM 772 CG GLN A 47 11.349 31.491 8.525 1.00 0.00 C ATOM 773 CD GLN A 47 12.360 31.394 9.649 1.00 0.00 C ATOM 774 OE1 GLN A 47 13.471 30.713 9.390 1.00 0.00 O flip ATOM 775 NE2 GLN A 47 12.147 31.925 10.740 1.00 0.00 N flip ATOM 0 H GLN A 47 12.086 29.146 8.075 1.00 0.00 H new ATOM 0 HA GLN A 47 10.556 29.437 10.509 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.694 30.364 7.771 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.402 31.112 9.328 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.833 31.234 7.583 1.00 0.00 H new ATOM 0 HG3 GLN A 47 11.008 32.522 8.437 1.00 0.00 H new ATOM 0 HE21 GLN A 47 11.280 32.439 10.896 1.00 0.00 H new ATOM 0 HE22 GLN A 47 12.838 31.851 11.487 1.00 0.00 H new ATOM 784 N GLU A 48 9.626 27.374 8.187 1.00 0.00 N ATOM 785 CA GLU A 48 8.657 26.342 7.837 1.00 0.00 C ATOM 786 C GLU A 48 9.354 25.014 7.559 1.00 0.00 C ATOM 787 O GLU A 48 9.761 24.740 6.430 1.00 0.00 O ATOM 788 CB GLU A 48 7.843 26.770 6.614 1.00 0.00 C ATOM 789 CG GLU A 48 7.059 28.055 6.823 1.00 0.00 C ATOM 790 CD GLU A 48 6.569 28.657 5.521 1.00 0.00 C ATOM 791 OE1 GLU A 48 6.686 27.987 4.475 1.00 0.00 O ATOM 792 OE2 GLU A 48 6.067 29.801 5.549 1.00 0.00 O ATOM 0 H GLU A 48 10.472 27.370 7.617 1.00 0.00 H new ATOM 0 HA GLU A 48 7.984 26.209 8.684 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.517 26.899 5.767 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.150 25.970 6.351 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.205 27.854 7.470 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.688 28.780 7.340 1.00 0.00 H new ATOM 799 N GLN A 49 9.486 24.193 8.596 1.00 0.00 N ATOM 800 CA GLN A 49 10.135 22.894 8.464 1.00 0.00 C ATOM 801 C GLN A 49 9.458 22.055 7.384 1.00 0.00 C ATOM 802 O GLN A 49 10.078 21.172 6.791 1.00 0.00 O ATOM 803 CB GLN A 49 10.107 22.148 9.799 1.00 0.00 C ATOM 804 CG GLN A 49 11.080 22.703 10.826 1.00 0.00 C ATOM 805 CD GLN A 49 10.432 23.703 11.764 1.00 0.00 C ATOM 806 OE1 GLN A 49 9.369 23.442 12.329 1.00 0.00 O ATOM 807 NE2 GLN A 49 11.069 24.855 11.934 1.00 0.00 N ATOM 0 H GLN A 49 9.152 24.404 9.536 1.00 0.00 H new ATOM 0 HA GLN A 49 11.172 23.062 8.172 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.097 22.189 10.208 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.337 21.097 9.623 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.496 21.881 11.409 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.913 23.181 10.310 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.947 25.029 11.446 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.680 25.566 12.553 1.00 0.00 H new ATOM 816 N HIS A 50 8.184 22.338 7.135 1.00 0.00 N ATOM 817 CA HIS A 50 7.422 21.609 6.126 1.00 0.00 C ATOM 818 C HIS A 50 7.781 22.089 4.723 1.00 0.00 C ATOM 819 O HIS A 50 7.219 21.620 3.734 1.00 0.00 O ATOM 820 CB HIS A 50 5.922 21.778 6.368 1.00 0.00 C ATOM 821 CG HIS A 50 5.456 23.198 6.268 1.00 0.00 C ATOM 822 ND1 HIS A 50 5.680 24.139 5.322 1.00 0.00 N flip ATOM 823 CD2 HIS A 50 4.658 23.797 7.221 1.00 0.00 C flip ATOM 824 CE1 HIS A 50 5.020 25.277 5.715 1.00 0.00 C flip ATOM 825 NE2 HIS A 50 4.411 25.044 6.863 1.00 0.00 N flip ATOM 0 H HIS A 50 7.657 23.066 7.617 1.00 0.00 H new ATOM 0 HA HIS A 50 7.678 20.552 6.206 1.00 0.00 H new ATOM 0 HB2 HIS A 50 5.375 21.173 5.645 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.676 21.392 7.357 1.00 0.00 H new ATOM 0 HD2 HIS A 50 4.293 23.321 8.119 1.00 0.00 H new ATOM 0 HE1 HIS A 50 5.002 26.211 5.173 1.00 0.00 H new ATOM 0 HE2 HIS A 50 3.846 25.714 7.385 1.00 0.00 H new ATOM 833 N MET A 51 8.719 23.027 4.646 1.00 0.00 N ATOM 834 CA MET A 51 9.152 23.570 3.363 1.00 0.00 C ATOM 835 C MET A 51 10.629 23.278 3.121 1.00 0.00 C ATOM 836 O MET A 51 11.487 23.665 3.914 1.00 0.00 O ATOM 837 CB MET A 51 8.903 25.079 3.314 1.00 0.00 C ATOM 838 CG MET A 51 7.943 25.501 2.214 1.00 0.00 C ATOM 839 SD MET A 51 8.788 26.205 0.786 1.00 0.00 S ATOM 840 CE MET A 51 9.988 24.922 0.436 1.00 0.00 C ATOM 0 H MET A 51 9.194 23.427 5.456 1.00 0.00 H new ATOM 0 HA MET A 51 8.571 23.088 2.577 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.507 25.405 4.276 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.854 25.591 3.171 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.359 24.637 1.896 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.240 26.232 2.612 1.00 0.00 H new ATOM 0 HE1 MET A 51 10.311 25.000 -0.602 1.00 0.00 H new ATOM 0 HE2 MET A 51 10.849 25.040 1.094 1.00 0.00 H new ATOM 0 HE3 MET A 51 9.535 23.945 0.603 1.00 0.00 H new ATOM 850 N VAL A 52 10.920 22.593 2.019 1.00 0.00 N ATOM 851 CA VAL A 52 12.293 22.250 1.671 1.00 0.00 C ATOM 852 C VAL A 52 12.758 23.022 0.441 1.00 0.00 C ATOM 853 O VAL A 52 12.061 23.072 -0.572 1.00 0.00 O ATOM 854 CB VAL A 52 12.445 20.741 1.404 1.00 0.00 C ATOM 855 CG1 VAL A 52 13.787 20.446 0.752 1.00 0.00 C ATOM 856 CG2 VAL A 52 12.286 19.953 2.696 1.00 0.00 C ATOM 0 H VAL A 52 10.222 22.265 1.352 1.00 0.00 H new ATOM 0 HA VAL A 52 12.913 22.524 2.524 1.00 0.00 H new ATOM 0 HB VAL A 52 11.658 20.431 0.716 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.876 19.375 0.571 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.857 20.981 -0.195 1.00 0.00 H new ATOM 0 HG13 VAL A 52 14.591 20.771 1.412 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.396 18.889 2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 52 13.049 20.265 3.409 1.00 0.00 H new ATOM 0 HG23 VAL A 52 11.298 20.140 3.117 1.00 0.00 H new ATOM 866 N TYR A 53 13.939 23.621 0.538 1.00 0.00 N ATOM 867 CA TYR A 53 14.497 24.392 -0.567 1.00 0.00 C ATOM 868 C TYR A 53 15.683 23.666 -1.194 1.00 0.00 C ATOM 869 O TYR A 53 16.723 23.487 -0.559 1.00 0.00 O ATOM 870 CB TYR A 53 14.931 25.777 -0.082 1.00 0.00 C ATOM 871 CG TYR A 53 13.898 26.854 -0.322 1.00 0.00 C ATOM 872 CD1 TYR A 53 13.454 27.144 -1.606 1.00 0.00 C ATOM 873 CD2 TYR A 53 13.367 27.583 0.735 1.00 0.00 C ATOM 874 CE1 TYR A 53 12.510 28.128 -1.830 1.00 0.00 C ATOM 875 CE2 TYR A 53 12.422 28.567 0.521 1.00 0.00 C ATOM 876 CZ TYR A 53 11.997 28.836 -0.764 1.00 0.00 C ATOM 877 OH TYR A 53 11.057 29.817 -0.982 1.00 0.00 O ATOM 0 H TYR A 53 14.529 23.588 1.370 1.00 0.00 H new ATOM 0 HA TYR A 53 13.722 24.506 -1.325 1.00 0.00 H new ATOM 0 HB2 TYR A 53 15.150 25.727 0.985 1.00 0.00 H new ATOM 0 HB3 TYR A 53 15.857 26.055 -0.585 1.00 0.00 H new ATOM 0 HD1 TYR A 53 13.853 26.591 -2.443 1.00 0.00 H new ATOM 0 HD2 TYR A 53 13.699 27.376 1.742 1.00 0.00 H new ATOM 0 HE1 TYR A 53 12.176 28.341 -2.835 1.00 0.00 H new ATOM 0 HE2 TYR A 53 12.018 29.123 1.354 1.00 0.00 H new ATOM 0 HH TYR A 53 10.799 30.218 -0.126 1.00 0.00 H new ATOM 887 N CYS A 54 15.519 23.251 -2.446 1.00 0.00 N ATOM 888 CA CYS A 54 16.575 22.544 -3.161 1.00 0.00 C ATOM 889 C CYS A 54 17.291 23.476 -4.134 1.00 0.00 C ATOM 890 O CYS A 54 18.491 23.343 -4.367 1.00 0.00 O ATOM 891 CB CYS A 54 15.995 21.347 -3.916 1.00 0.00 C ATOM 892 SG CYS A 54 14.229 21.082 -3.634 1.00 0.00 S ATOM 0 H CYS A 54 14.665 23.392 -2.986 1.00 0.00 H new ATOM 0 HA CYS A 54 17.299 22.186 -2.429 1.00 0.00 H new ATOM 0 HB2 CYS A 54 16.164 21.488 -4.984 1.00 0.00 H new ATOM 0 HB3 CYS A 54 16.538 20.448 -3.623 1.00 0.00 H new ATOM 0 HG CYS A 54 14.011 19.821 -3.403 1.00 0.00 H new ATOM 898 N GLY A 55 16.544 24.418 -4.701 1.00 0.00 N ATOM 899 CA GLY A 55 17.123 25.357 -5.644 1.00 0.00 C ATOM 900 C GLY A 55 18.157 24.710 -6.545 1.00 0.00 C ATOM 901 O GLY A 55 17.818 24.139 -7.581 1.00 0.00 O ATOM 0 H GLY A 55 15.548 24.548 -4.524 1.00 0.00 H new ATOM 0 HA2 GLY A 55 16.331 25.788 -6.256 1.00 0.00 H new ATOM 0 HA3 GLY A 55 17.585 26.178 -5.097 1.00 0.00 H new ATOM 905 N GLY A 56 19.423 24.801 -6.150 1.00 0.00 N ATOM 906 CA GLY A 56 20.491 24.217 -6.942 1.00 0.00 C ATOM 907 C GLY A 56 21.398 23.321 -6.121 1.00 0.00 C ATOM 908 O GLY A 56 22.618 23.484 -6.133 1.00 0.00 O ATOM 0 H GLY A 56 19.729 25.268 -5.296 1.00 0.00 H new ATOM 0 HA2 GLY A 56 20.059 23.640 -7.760 1.00 0.00 H new ATOM 0 HA3 GLY A 56 21.083 25.014 -7.392 1.00 0.00 H new ATOM 912 N ASP A 57 20.801 22.374 -5.406 1.00 0.00 N ATOM 913 CA ASP A 57 21.563 21.450 -4.575 1.00 0.00 C ATOM 914 C ASP A 57 21.371 20.011 -5.045 1.00 0.00 C ATOM 915 O ASP A 57 20.695 19.758 -6.044 1.00 0.00 O ATOM 916 CB ASP A 57 21.143 21.581 -3.110 1.00 0.00 C ATOM 917 CG ASP A 57 22.319 21.855 -2.193 1.00 0.00 C ATOM 918 OD1 ASP A 57 23.331 22.407 -2.674 1.00 0.00 O ATOM 919 OD2 ASP A 57 22.226 21.519 -0.994 1.00 0.00 O ATOM 0 H ASP A 57 19.792 22.226 -5.385 1.00 0.00 H new ATOM 0 HA ASP A 57 22.619 21.706 -4.666 1.00 0.00 H new ATOM 0 HB2 ASP A 57 20.416 22.387 -3.014 1.00 0.00 H new ATOM 0 HB3 ASP A 57 20.646 20.664 -2.794 1.00 0.00 H new ATOM 924 N LEU A 58 21.968 19.072 -4.320 1.00 0.00 N ATOM 925 CA LEU A 58 21.864 17.658 -4.663 1.00 0.00 C ATOM 926 C LEU A 58 20.404 17.243 -4.820 1.00 0.00 C ATOM 927 O LEU A 58 20.003 16.728 -5.864 1.00 0.00 O ATOM 928 CB LEU A 58 22.537 16.801 -3.590 1.00 0.00 C ATOM 929 CG LEU A 58 24.025 17.066 -3.356 1.00 0.00 C ATOM 930 CD1 LEU A 58 24.725 15.800 -2.888 1.00 0.00 C ATOM 931 CD2 LEU A 58 24.677 17.601 -4.623 1.00 0.00 C ATOM 0 H LEU A 58 22.529 19.264 -3.490 1.00 0.00 H new ATOM 0 HA LEU A 58 22.372 17.502 -5.615 1.00 0.00 H new ATOM 0 HB2 LEU A 58 22.009 16.952 -2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 58 22.413 15.752 -3.860 1.00 0.00 H new ATOM 0 HG LEU A 58 24.122 17.820 -2.575 1.00 0.00 H new ATOM 0 HD11 LEU A 58 25.783 16.008 -2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 58 24.276 15.459 -1.955 1.00 0.00 H new ATOM 0 HD13 LEU A 58 24.619 15.024 -3.646 1.00 0.00 H new ATOM 0 HD21 LEU A 58 25.736 17.784 -4.438 1.00 0.00 H new ATOM 0 HD22 LEU A 58 24.570 16.870 -5.424 1.00 0.00 H new ATOM 0 HD23 LEU A 58 24.193 18.533 -4.915 1.00 0.00 H new ATOM 943 N LEU A 59 19.615 17.471 -3.776 1.00 0.00 N ATOM 944 CA LEU A 59 18.198 17.122 -3.798 1.00 0.00 C ATOM 945 C LEU A 59 17.480 17.835 -4.940 1.00 0.00 C ATOM 946 O LEU A 59 16.579 17.276 -5.564 1.00 0.00 O ATOM 947 CB LEU A 59 17.543 17.483 -2.464 1.00 0.00 C ATOM 948 CG LEU A 59 17.769 18.913 -1.971 1.00 0.00 C ATOM 949 CD1 LEU A 59 16.478 19.497 -1.418 1.00 0.00 C ATOM 950 CD2 LEU A 59 18.866 18.947 -0.917 1.00 0.00 C ATOM 0 H LEU A 59 19.932 17.896 -2.904 1.00 0.00 H new ATOM 0 HA LEU A 59 18.116 16.047 -3.956 1.00 0.00 H new ATOM 0 HB2 LEU A 59 16.470 17.316 -2.552 1.00 0.00 H new ATOM 0 HB3 LEU A 59 17.912 16.795 -1.703 1.00 0.00 H new ATOM 0 HG LEU A 59 18.087 19.522 -2.817 1.00 0.00 H new ATOM 0 HD11 LEU A 59 16.658 20.515 -1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 59 15.719 19.509 -2.201 1.00 0.00 H new ATOM 0 HD13 LEU A 59 16.130 18.887 -0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 59 19.013 19.972 -0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 59 18.577 18.323 -0.071 1.00 0.00 H new ATOM 0 HD23 LEU A 59 19.794 18.570 -1.346 1.00 0.00 H new ATOM 962 N GLY A 60 17.887 19.072 -5.208 1.00 0.00 N ATOM 963 CA GLY A 60 17.273 19.839 -6.276 1.00 0.00 C ATOM 964 C GLY A 60 17.557 19.257 -7.646 1.00 0.00 C ATOM 965 O GLY A 60 16.664 19.172 -8.488 1.00 0.00 O ATOM 0 H GLY A 60 18.630 19.556 -4.705 1.00 0.00 H new ATOM 0 HA2 GLY A 60 16.195 19.878 -6.118 1.00 0.00 H new ATOM 0 HA3 GLY A 60 17.638 20.865 -6.238 1.00 0.00 H new ATOM 969 N GLU A 61 18.805 18.858 -7.870 1.00 0.00 N ATOM 970 CA GLU A 61 19.204 18.283 -9.150 1.00 0.00 C ATOM 971 C GLU A 61 18.525 16.936 -9.377 1.00 0.00 C ATOM 972 O GLU A 61 18.127 16.610 -10.496 1.00 0.00 O ATOM 973 CB GLU A 61 20.724 18.116 -9.207 1.00 0.00 C ATOM 974 CG GLU A 61 21.184 16.676 -9.056 1.00 0.00 C ATOM 975 CD GLU A 61 20.924 15.847 -10.298 1.00 0.00 C ATOM 976 OE1 GLU A 61 21.309 16.290 -11.400 1.00 0.00 O ATOM 977 OE2 GLU A 61 20.334 14.754 -10.167 1.00 0.00 O ATOM 0 H GLU A 61 19.556 18.922 -7.183 1.00 0.00 H new ATOM 0 HA GLU A 61 18.890 18.966 -9.940 1.00 0.00 H new ATOM 0 HB2 GLU A 61 21.089 18.507 -10.157 1.00 0.00 H new ATOM 0 HB3 GLU A 61 21.177 18.718 -8.419 1.00 0.00 H new ATOM 0 HG2 GLU A 61 22.250 16.661 -8.830 1.00 0.00 H new ATOM 0 HG3 GLU A 61 20.672 16.222 -8.207 1.00 0.00 H new ATOM 984 N LEU A 62 18.396 16.158 -8.308 1.00 0.00 N ATOM 985 CA LEU A 62 17.765 14.845 -8.390 1.00 0.00 C ATOM 986 C LEU A 62 16.281 14.973 -8.717 1.00 0.00 C ATOM 987 O LEU A 62 15.771 14.297 -9.612 1.00 0.00 O ATOM 988 CB LEU A 62 17.945 14.088 -7.072 1.00 0.00 C ATOM 989 CG LEU A 62 17.151 12.789 -6.931 1.00 0.00 C ATOM 990 CD1 LEU A 62 17.280 11.945 -8.189 1.00 0.00 C ATOM 991 CD2 LEU A 62 17.620 12.008 -5.712 1.00 0.00 C ATOM 0 H LEU A 62 18.720 16.413 -7.375 1.00 0.00 H new ATOM 0 HA LEU A 62 18.248 14.287 -9.192 1.00 0.00 H new ATOM 0 HB2 LEU A 62 19.004 13.859 -6.949 1.00 0.00 H new ATOM 0 HB3 LEU A 62 17.666 14.752 -6.254 1.00 0.00 H new ATOM 0 HG LEU A 62 16.099 13.041 -6.794 1.00 0.00 H new ATOM 0 HD11 LEU A 62 16.708 11.025 -8.070 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.895 12.503 -9.043 1.00 0.00 H new ATOM 0 HD13 LEU A 62 18.329 11.701 -8.358 1.00 0.00 H new ATOM 0 HD21 LEU A 62 17.044 11.086 -5.627 1.00 0.00 H new ATOM 0 HD22 LEU A 62 18.678 11.767 -5.819 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.475 12.611 -4.816 1.00 0.00 H new ATOM 1003 N LEU A 63 15.593 15.846 -7.989 1.00 0.00 N ATOM 1004 CA LEU A 63 14.167 16.065 -8.204 1.00 0.00 C ATOM 1005 C LEU A 63 13.916 16.735 -9.551 1.00 0.00 C ATOM 1006 O LEU A 63 12.888 16.506 -10.187 1.00 0.00 O ATOM 1007 CB LEU A 63 13.588 16.924 -7.078 1.00 0.00 C ATOM 1008 CG LEU A 63 12.507 16.266 -6.220 1.00 0.00 C ATOM 1009 CD1 LEU A 63 12.659 16.675 -4.763 1.00 0.00 C ATOM 1010 CD2 LEU A 63 11.122 16.630 -6.736 1.00 0.00 C ATOM 0 H LEU A 63 15.999 16.413 -7.245 1.00 0.00 H new ATOM 0 HA LEU A 63 13.671 15.094 -8.204 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.405 17.231 -6.425 1.00 0.00 H new ATOM 0 HB3 LEU A 63 13.173 17.831 -7.517 1.00 0.00 H new ATOM 0 HG LEU A 63 12.626 15.185 -6.287 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.881 16.197 -4.168 1.00 0.00 H new ATOM 0 HD12 LEU A 63 13.638 16.364 -4.398 1.00 0.00 H new ATOM 0 HD13 LEU A 63 12.567 17.758 -4.678 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.365 16.153 -6.114 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.993 17.712 -6.700 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.015 16.286 -7.765 1.00 0.00 H new ATOM 1022 N GLY A 64 14.863 17.564 -9.980 1.00 0.00 N ATOM 1023 CA GLY A 64 14.727 18.253 -11.250 1.00 0.00 C ATOM 1024 C GLY A 64 13.864 19.495 -11.145 1.00 0.00 C ATOM 1025 O GLY A 64 13.582 20.149 -12.149 1.00 0.00 O ATOM 0 H GLY A 64 15.722 17.771 -9.470 1.00 0.00 H new ATOM 0 HA2 GLY A 64 15.715 18.531 -11.617 1.00 0.00 H new ATOM 0 HA3 GLY A 64 14.293 17.574 -11.984 1.00 0.00 H new ATOM 1029 N ARG A 65 13.442 19.820 -9.928 1.00 0.00 N ATOM 1030 CA ARG A 65 12.603 20.990 -9.697 1.00 0.00 C ATOM 1031 C ARG A 65 13.398 22.104 -9.021 1.00 0.00 C ATOM 1032 O ARG A 65 14.625 22.042 -8.941 1.00 0.00 O ATOM 1033 CB ARG A 65 11.395 20.616 -8.836 1.00 0.00 C ATOM 1034 CG ARG A 65 10.721 19.323 -9.262 1.00 0.00 C ATOM 1035 CD ARG A 65 10.468 19.294 -10.761 1.00 0.00 C ATOM 1036 NE ARG A 65 10.223 17.939 -11.249 1.00 0.00 N ATOM 1037 CZ ARG A 65 9.599 17.671 -12.391 1.00 0.00 C ATOM 1038 NH1 ARG A 65 9.159 18.659 -13.158 1.00 0.00 N ATOM 1039 NH2 ARG A 65 9.414 16.412 -12.767 1.00 0.00 N ATOM 0 H ARG A 65 13.667 19.290 -9.086 1.00 0.00 H new ATOM 0 HA ARG A 65 12.253 21.352 -10.664 1.00 0.00 H new ATOM 0 HB2 ARG A 65 11.714 20.525 -7.798 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.666 21.426 -8.876 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.347 18.476 -8.981 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.776 19.212 -8.730 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.610 19.924 -10.996 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.327 19.717 -11.282 1.00 0.00 H new ATOM 0 HE ARG A 65 10.549 17.156 -10.682 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.299 19.628 -12.872 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.680 18.450 -14.034 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.751 15.649 -12.179 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.935 16.207 -13.644 1.00 0.00 H new ATOM 1053 N GLN A 66 12.690 23.119 -8.536 1.00 0.00 N ATOM 1054 CA GLN A 66 13.330 24.246 -7.869 1.00 0.00 C ATOM 1055 C GLN A 66 13.246 24.100 -6.353 1.00 0.00 C ATOM 1056 O GLN A 66 14.244 24.249 -5.649 1.00 0.00 O ATOM 1057 CB GLN A 66 12.680 25.560 -8.304 1.00 0.00 C ATOM 1058 CG GLN A 66 11.267 25.392 -8.840 1.00 0.00 C ATOM 1059 CD GLN A 66 11.239 24.805 -10.238 1.00 0.00 C ATOM 1060 OE1 GLN A 66 12.056 25.160 -11.089 1.00 0.00 O ATOM 1061 NE2 GLN A 66 10.298 23.902 -10.482 1.00 0.00 N ATOM 0 H GLN A 66 11.674 23.184 -8.593 1.00 0.00 H new ATOM 0 HA GLN A 66 14.381 24.257 -8.157 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.659 26.244 -7.455 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.298 26.025 -9.072 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.702 24.747 -8.168 1.00 0.00 H new ATOM 0 HG3 GLN A 66 10.767 26.361 -8.847 1.00 0.00 H new ATOM 0 HE21 GLN A 66 9.642 23.638 -9.747 1.00 0.00 H new ATOM 0 HE22 GLN A 66 10.231 23.472 -11.405 1.00 0.00 H new ATOM 1070 N SER A 67 12.047 23.810 -5.857 1.00 0.00 N ATOM 1071 CA SER A 67 11.831 23.648 -4.424 1.00 0.00 C ATOM 1072 C SER A 67 10.586 22.810 -4.154 1.00 0.00 C ATOM 1073 O SER A 67 9.640 22.809 -4.942 1.00 0.00 O ATOM 1074 CB SER A 67 11.696 25.015 -3.750 1.00 0.00 C ATOM 1075 OG SER A 67 11.459 26.034 -4.706 1.00 0.00 O ATOM 0 H SER A 67 11.210 23.682 -6.427 1.00 0.00 H new ATOM 0 HA SER A 67 12.694 23.129 -4.007 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.878 24.990 -3.030 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.605 25.240 -3.192 1.00 0.00 H new ATOM 0 HG SER A 67 11.375 26.897 -4.250 1.00 0.00 H new ATOM 1081 N PHE A 68 10.593 22.096 -3.033 1.00 0.00 N ATOM 1082 CA PHE A 68 9.465 21.252 -2.657 1.00 0.00 C ATOM 1083 C PHE A 68 9.236 21.289 -1.149 1.00 0.00 C ATOM 1084 O PHE A 68 10.149 21.586 -0.378 1.00 0.00 O ATOM 1085 CB PHE A 68 9.706 19.811 -3.111 1.00 0.00 C ATOM 1086 CG PHE A 68 10.825 19.129 -2.377 1.00 0.00 C ATOM 1087 CD1 PHE A 68 10.620 18.597 -1.115 1.00 0.00 C ATOM 1088 CD2 PHE A 68 12.082 19.021 -2.949 1.00 0.00 C ATOM 1089 CE1 PHE A 68 11.648 17.970 -0.437 1.00 0.00 C ATOM 1090 CE2 PHE A 68 13.115 18.395 -2.276 1.00 0.00 C ATOM 1091 CZ PHE A 68 12.897 17.868 -1.018 1.00 0.00 C ATOM 0 H PHE A 68 11.367 22.085 -2.369 1.00 0.00 H new ATOM 0 HA PHE A 68 8.574 21.638 -3.152 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.789 19.237 -2.973 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.927 19.807 -4.178 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.646 18.673 -0.655 1.00 0.00 H new ATOM 0 HD2 PHE A 68 12.257 19.431 -3.933 1.00 0.00 H new ATOM 0 HE1 PHE A 68 11.475 17.560 0.547 1.00 0.00 H new ATOM 0 HE2 PHE A 68 14.090 18.318 -2.733 1.00 0.00 H new ATOM 0 HZ PHE A 68 13.701 17.377 -0.490 1.00 0.00 H new ATOM 1101 N SER A 69 8.009 20.987 -0.735 1.00 0.00 N ATOM 1102 CA SER A 69 7.658 20.991 0.681 1.00 0.00 C ATOM 1103 C SER A 69 7.621 19.570 1.235 1.00 0.00 C ATOM 1104 O SER A 69 7.343 18.615 0.509 1.00 0.00 O ATOM 1105 CB SER A 69 6.301 21.667 0.889 1.00 0.00 C ATOM 1106 OG SER A 69 5.246 20.723 0.824 1.00 0.00 O ATOM 0 H SER A 69 7.242 20.737 -1.359 1.00 0.00 H new ATOM 0 HA SER A 69 8.422 21.552 1.219 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.285 22.168 1.857 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.153 22.435 0.130 1.00 0.00 H new ATOM 0 HG SER A 69 5.492 19.999 0.211 1.00 0.00 H new ATOM 1112 N VAL A 70 7.905 19.438 2.527 1.00 0.00 N ATOM 1113 CA VAL A 70 7.904 18.134 3.180 1.00 0.00 C ATOM 1114 C VAL A 70 6.482 17.660 3.458 1.00 0.00 C ATOM 1115 O VAL A 70 6.250 16.482 3.731 1.00 0.00 O ATOM 1116 CB VAL A 70 8.690 18.170 4.504 1.00 0.00 C ATOM 1117 CG1 VAL A 70 9.667 19.336 4.515 1.00 0.00 C ATOM 1118 CG2 VAL A 70 7.736 18.252 5.687 1.00 0.00 C ATOM 0 H VAL A 70 8.139 20.218 3.142 1.00 0.00 H new ATOM 0 HA VAL A 70 8.389 17.437 2.497 1.00 0.00 H new ATOM 0 HB VAL A 70 9.263 17.247 4.591 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.213 19.344 5.458 1.00 0.00 H new ATOM 0 HG12 VAL A 70 10.371 19.229 3.690 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.118 20.271 4.405 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.308 18.277 6.615 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.135 19.158 5.607 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.081 17.381 5.687 1.00 0.00 H new ATOM 1128 N LYS A 71 5.531 18.585 3.387 1.00 0.00 N ATOM 1129 CA LYS A 71 4.130 18.263 3.629 1.00 0.00 C ATOM 1130 C LYS A 71 3.416 17.925 2.324 1.00 0.00 C ATOM 1131 O LYS A 71 2.294 17.417 2.332 1.00 0.00 O ATOM 1132 CB LYS A 71 3.427 19.435 4.318 1.00 0.00 C ATOM 1133 CG LYS A 71 3.372 20.695 3.470 1.00 0.00 C ATOM 1134 CD LYS A 71 2.325 21.668 3.985 1.00 0.00 C ATOM 1135 CE LYS A 71 2.956 22.783 4.805 1.00 0.00 C ATOM 1136 NZ LYS A 71 2.007 23.907 5.035 1.00 0.00 N ATOM 0 H LYS A 71 5.705 19.565 3.164 1.00 0.00 H new ATOM 0 HA LYS A 71 4.092 17.390 4.281 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.411 19.137 4.577 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.942 19.658 5.252 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.349 21.177 3.470 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.147 20.430 2.437 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.780 22.097 3.144 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.598 21.132 4.596 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.287 22.385 5.764 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.842 23.155 4.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.417 24.573 5.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.828 24.400 4.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.111 23.534 5.409 1.00 0.00 H new ATOM 1150 N ASP A 72 4.073 18.208 1.205 1.00 0.00 N ATOM 1151 CA ASP A 72 3.502 17.932 -0.108 1.00 0.00 C ATOM 1152 C ASP A 72 4.271 16.817 -0.811 1.00 0.00 C ATOM 1153 O ASP A 72 5.294 17.047 -1.458 1.00 0.00 O ATOM 1154 CB ASP A 72 3.512 19.196 -0.969 1.00 0.00 C ATOM 1155 CG ASP A 72 4.804 19.359 -1.744 1.00 0.00 C ATOM 1156 OD1 ASP A 72 5.883 19.310 -1.117 1.00 0.00 O ATOM 1157 OD2 ASP A 72 4.737 19.536 -2.979 1.00 0.00 O ATOM 0 H ASP A 72 5.002 18.629 1.181 1.00 0.00 H new ATOM 0 HA ASP A 72 2.471 17.606 0.033 1.00 0.00 H new ATOM 0 HB2 ASP A 72 2.675 19.163 -1.667 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.362 20.067 -0.332 1.00 0.00 H new ATOM 1162 N PRO A 73 3.770 15.580 -0.682 1.00 0.00 N ATOM 1163 CA PRO A 73 4.394 14.405 -1.298 1.00 0.00 C ATOM 1164 C PRO A 73 4.261 14.407 -2.817 1.00 0.00 C ATOM 1165 O PRO A 73 4.592 13.423 -3.480 1.00 0.00 O ATOM 1166 CB PRO A 73 3.617 13.233 -0.694 1.00 0.00 C ATOM 1167 CG PRO A 73 2.292 13.807 -0.326 1.00 0.00 C ATOM 1168 CD PRO A 73 2.555 15.232 0.074 1.00 0.00 C ATOM 0 HA PRO A 73 5.467 14.366 -1.107 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.510 12.418 -1.410 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.129 12.826 0.178 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.599 13.759 -1.166 1.00 0.00 H new ATOM 0 HG3 PRO A 73 1.839 13.249 0.493 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.720 15.883 -0.186 1.00 0.00 H new ATOM 0 HD3 PRO A 73 2.710 15.326 1.149 1.00 0.00 H new ATOM 1176 N SER A 74 3.775 15.517 -3.363 1.00 0.00 N ATOM 1177 CA SER A 74 3.595 15.645 -4.804 1.00 0.00 C ATOM 1178 C SER A 74 4.930 15.517 -5.531 1.00 0.00 C ATOM 1179 O SER A 74 5.164 14.578 -6.293 1.00 0.00 O ATOM 1180 CB SER A 74 2.944 16.988 -5.141 1.00 0.00 C ATOM 1181 OG SER A 74 1.593 16.816 -5.533 1.00 0.00 O ATOM 0 H SER A 74 3.499 16.341 -2.829 1.00 0.00 H new ATOM 0 HA SER A 74 2.941 14.839 -5.137 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.993 17.647 -4.274 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.500 17.474 -5.943 1.00 0.00 H new ATOM 0 HG SER A 74 1.199 17.689 -5.741 1.00 0.00 H new ATOM 1187 N PRO A 75 5.828 16.484 -5.292 1.00 0.00 N ATOM 1188 CA PRO A 75 7.156 16.503 -5.914 1.00 0.00 C ATOM 1189 C PRO A 75 8.060 15.396 -5.383 1.00 0.00 C ATOM 1190 O PRO A 75 9.024 15.000 -6.040 1.00 0.00 O ATOM 1191 CB PRO A 75 7.709 17.877 -5.527 1.00 0.00 C ATOM 1192 CG PRO A 75 6.990 18.236 -4.273 1.00 0.00 C ATOM 1193 CD PRO A 75 5.617 17.633 -4.396 1.00 0.00 C ATOM 0 HA PRO A 75 7.105 16.337 -6.990 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.787 17.839 -5.368 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.528 18.612 -6.311 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.511 17.845 -3.399 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.932 19.318 -4.152 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.227 17.321 -3.427 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.903 18.342 -4.814 1.00 0.00 H new ATOM 1201 N LEU A 76 7.744 14.900 -4.192 1.00 0.00 N ATOM 1202 CA LEU A 76 8.529 13.838 -3.573 1.00 0.00 C ATOM 1203 C LEU A 76 8.335 12.517 -4.312 1.00 0.00 C ATOM 1204 O LEU A 76 9.293 11.931 -4.817 1.00 0.00 O ATOM 1205 CB LEU A 76 8.135 13.676 -2.104 1.00 0.00 C ATOM 1206 CG LEU A 76 9.049 12.789 -1.257 1.00 0.00 C ATOM 1207 CD1 LEU A 76 10.162 13.615 -0.632 1.00 0.00 C ATOM 1208 CD2 LEU A 76 8.248 12.069 -0.183 1.00 0.00 C ATOM 0 H LEU A 76 6.950 15.216 -3.636 1.00 0.00 H new ATOM 0 HA LEU A 76 9.581 14.116 -3.632 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.098 14.665 -1.648 1.00 0.00 H new ATOM 0 HB3 LEU A 76 7.125 13.267 -2.062 1.00 0.00 H new ATOM 0 HG LEU A 76 9.501 12.040 -1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.803 12.968 -0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 76 10.753 14.083 -1.419 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.729 14.387 0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.915 11.443 0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.767 12.802 0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.487 11.446 -0.653 1.00 0.00 H new ATOM 1220 N TYR A 77 7.091 12.056 -4.372 1.00 0.00 N ATOM 1221 CA TYR A 77 6.772 10.805 -5.049 1.00 0.00 C ATOM 1222 C TYR A 77 7.191 10.856 -6.515 1.00 0.00 C ATOM 1223 O TYR A 77 7.715 9.883 -7.057 1.00 0.00 O ATOM 1224 CB TYR A 77 5.274 10.512 -4.946 1.00 0.00 C ATOM 1225 CG TYR A 77 4.855 9.966 -3.599 1.00 0.00 C ATOM 1226 CD1 TYR A 77 5.410 8.794 -3.100 1.00 0.00 C ATOM 1227 CD2 TYR A 77 3.906 10.622 -2.826 1.00 0.00 C ATOM 1228 CE1 TYR A 77 5.030 8.290 -1.871 1.00 0.00 C ATOM 1229 CE2 TYR A 77 3.521 10.127 -1.595 1.00 0.00 C ATOM 1230 CZ TYR A 77 4.086 8.961 -1.122 1.00 0.00 C ATOM 1231 OH TYR A 77 3.704 8.464 0.103 1.00 0.00 O ATOM 0 H TYR A 77 6.287 12.530 -3.960 1.00 0.00 H new ATOM 0 HA TYR A 77 7.327 10.005 -4.559 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.718 11.428 -5.146 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.998 9.796 -5.721 1.00 0.00 H new ATOM 0 HD1 TYR A 77 6.151 8.268 -3.683 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.461 11.535 -3.194 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.469 7.376 -1.499 1.00 0.00 H new ATOM 0 HE2 TYR A 77 2.782 10.650 -1.006 1.00 0.00 H new ATOM 0 HH TYR A 77 3.413 9.202 0.679 1.00 0.00 H new ATOM 1241 N ASP A 78 6.957 11.999 -7.151 1.00 0.00 N ATOM 1242 CA ASP A 78 7.311 12.180 -8.554 1.00 0.00 C ATOM 1243 C ASP A 78 8.781 11.847 -8.791 1.00 0.00 C ATOM 1244 O ASP A 78 9.125 11.162 -9.754 1.00 0.00 O ATOM 1245 CB ASP A 78 7.024 13.617 -8.993 1.00 0.00 C ATOM 1246 CG ASP A 78 6.580 13.702 -10.440 1.00 0.00 C ATOM 1247 OD1 ASP A 78 5.360 13.621 -10.693 1.00 0.00 O ATOM 1248 OD2 ASP A 78 7.454 13.850 -11.320 1.00 0.00 O ATOM 0 H ASP A 78 6.524 12.814 -6.717 1.00 0.00 H new ATOM 0 HA ASP A 78 6.702 11.498 -9.148 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.251 14.042 -8.353 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.920 14.222 -8.855 1.00 0.00 H new ATOM 1253 N MET A 79 9.643 12.337 -7.906 1.00 0.00 N ATOM 1254 CA MET A 79 11.076 12.090 -8.019 1.00 0.00 C ATOM 1255 C MET A 79 11.396 10.619 -7.774 1.00 0.00 C ATOM 1256 O MET A 79 12.173 10.011 -8.512 1.00 0.00 O ATOM 1257 CB MET A 79 11.846 12.964 -7.027 1.00 0.00 C ATOM 1258 CG MET A 79 12.849 12.191 -6.187 1.00 0.00 C ATOM 1259 SD MET A 79 13.665 13.223 -4.954 1.00 0.00 S ATOM 1260 CE MET A 79 12.801 12.722 -3.467 1.00 0.00 C ATOM 0 H MET A 79 9.375 12.907 -7.104 1.00 0.00 H new ATOM 0 HA MET A 79 11.384 12.346 -9.033 1.00 0.00 H new ATOM 0 HB2 MET A 79 12.370 13.746 -7.576 1.00 0.00 H new ATOM 0 HB3 MET A 79 11.136 13.460 -6.365 1.00 0.00 H new ATOM 0 HG2 MET A 79 12.340 11.368 -5.686 1.00 0.00 H new ATOM 0 HG3 MET A 79 13.601 11.750 -6.841 1.00 0.00 H new ATOM 0 HE1 MET A 79 13.023 13.424 -2.663 1.00 0.00 H new ATOM 0 HE2 MET A 79 11.727 12.714 -3.655 1.00 0.00 H new ATOM 0 HE3 MET A 79 13.126 11.723 -3.176 1.00 0.00 H new ATOM 1270 N LEU A 80 10.794 10.053 -6.734 1.00 0.00 N ATOM 1271 CA LEU A 80 11.015 8.653 -6.391 1.00 0.00 C ATOM 1272 C LEU A 80 10.551 7.736 -7.519 1.00 0.00 C ATOM 1273 O LEU A 80 11.163 6.701 -7.782 1.00 0.00 O ATOM 1274 CB LEU A 80 10.278 8.301 -5.097 1.00 0.00 C ATOM 1275 CG LEU A 80 10.574 9.196 -3.893 1.00 0.00 C ATOM 1276 CD1 LEU A 80 9.549 8.965 -2.793 1.00 0.00 C ATOM 1277 CD2 LEU A 80 11.982 8.945 -3.374 1.00 0.00 C ATOM 0 H LEU A 80 10.149 10.542 -6.114 1.00 0.00 H new ATOM 0 HA LEU A 80 12.085 8.506 -6.244 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.206 8.332 -5.293 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.524 7.273 -4.830 1.00 0.00 H new ATOM 0 HG LEU A 80 10.507 10.236 -4.212 1.00 0.00 H new ATOM 0 HD11 LEU A 80 9.775 9.610 -1.944 1.00 0.00 H new ATOM 0 HD12 LEU A 80 8.553 9.196 -3.170 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.584 7.923 -2.476 1.00 0.00 H new ATOM 0 HD21 LEU A 80 12.175 9.591 -2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 80 12.078 7.902 -3.071 1.00 0.00 H new ATOM 0 HD23 LEU A 80 12.704 9.162 -4.161 1.00 0.00 H new ATOM 1289 N ARG A 81 9.467 8.125 -8.183 1.00 0.00 N ATOM 1290 CA ARG A 81 8.922 7.339 -9.283 1.00 0.00 C ATOM 1291 C ARG A 81 10.015 6.970 -10.281 1.00 0.00 C ATOM 1292 O ARG A 81 10.115 5.821 -10.712 1.00 0.00 O ATOM 1293 CB ARG A 81 7.811 8.117 -9.991 1.00 0.00 C ATOM 1294 CG ARG A 81 8.260 8.780 -11.283 1.00 0.00 C ATOM 1295 CD ARG A 81 7.156 9.638 -11.881 1.00 0.00 C ATOM 1296 NE ARG A 81 6.819 9.226 -13.241 1.00 0.00 N ATOM 1297 CZ ARG A 81 6.008 8.212 -13.523 1.00 0.00 C ATOM 1298 NH1 ARG A 81 5.454 7.511 -12.543 1.00 0.00 N ATOM 1299 NH2 ARG A 81 5.750 7.898 -14.786 1.00 0.00 N ATOM 0 H ARG A 81 8.949 8.980 -7.978 1.00 0.00 H new ATOM 0 HA ARG A 81 8.507 6.420 -8.870 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.986 7.439 -10.208 1.00 0.00 H new ATOM 0 HB3 ARG A 81 7.426 8.881 -9.315 1.00 0.00 H new ATOM 0 HG2 ARG A 81 9.138 9.397 -11.091 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.558 8.016 -12.001 1.00 0.00 H new ATOM 0 HD2 ARG A 81 6.268 9.575 -11.253 1.00 0.00 H new ATOM 0 HD3 ARG A 81 7.470 10.682 -11.886 1.00 0.00 H new ATOM 0 HE ARG A 81 7.229 9.745 -14.017 1.00 0.00 H new ATOM 0 HH11 ARG A 81 5.650 7.750 -11.571 1.00 0.00 H new ATOM 0 HH12 ARG A 81 4.832 6.733 -12.761 1.00 0.00 H new ATOM 0 HH21 ARG A 81 6.174 8.435 -15.542 1.00 0.00 H new ATOM 0 HH22 ARG A 81 5.127 7.119 -15.001 1.00 0.00 H new ATOM 1313 N LYS A 82 10.833 7.952 -10.645 1.00 0.00 N ATOM 1314 CA LYS A 82 11.919 7.731 -11.592 1.00 0.00 C ATOM 1315 C LYS A 82 13.270 7.744 -10.883 1.00 0.00 C ATOM 1316 O LYS A 82 14.312 7.558 -11.510 1.00 0.00 O ATOM 1317 CB LYS A 82 11.896 8.802 -12.686 1.00 0.00 C ATOM 1318 CG LYS A 82 12.910 9.912 -12.472 1.00 0.00 C ATOM 1319 CD LYS A 82 12.602 10.716 -11.220 1.00 0.00 C ATOM 1320 CE LYS A 82 11.757 11.940 -11.538 1.00 0.00 C ATOM 1321 NZ LYS A 82 11.331 11.965 -12.965 1.00 0.00 N ATOM 0 H LYS A 82 10.764 8.909 -10.298 1.00 0.00 H new ATOM 0 HA LYS A 82 11.776 6.751 -12.048 1.00 0.00 H new ATOM 0 HB2 LYS A 82 12.085 8.329 -13.650 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.898 9.238 -12.735 1.00 0.00 H new ATOM 0 HG2 LYS A 82 13.909 9.483 -12.393 1.00 0.00 H new ATOM 0 HG3 LYS A 82 12.915 10.574 -13.338 1.00 0.00 H new ATOM 0 HD2 LYS A 82 12.077 10.086 -10.502 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.534 11.028 -10.748 1.00 0.00 H new ATOM 0 HE2 LYS A 82 10.876 11.950 -10.896 1.00 0.00 H new ATOM 0 HE3 LYS A 82 12.326 12.842 -11.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.662 12.747 -13.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 12.163 12.101 -13.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.870 11.065 -13.205 1.00 0.00 H new ATOM 1335 N ASN A 83 13.243 7.962 -9.572 1.00 0.00 N ATOM 1336 CA ASN A 83 14.465 7.997 -8.778 1.00 0.00 C ATOM 1337 C ASN A 83 14.660 6.687 -8.021 1.00 0.00 C ATOM 1338 O ASN A 83 15.711 6.052 -8.118 1.00 0.00 O ATOM 1339 CB ASN A 83 14.425 9.167 -7.793 1.00 0.00 C ATOM 1340 CG ASN A 83 15.669 9.239 -6.929 1.00 0.00 C ATOM 1341 OD1 ASN A 83 16.776 8.961 -7.390 1.00 0.00 O ATOM 1342 ND2 ASN A 83 15.492 9.613 -5.667 1.00 0.00 N ATOM 0 H ASN A 83 12.388 8.117 -9.038 1.00 0.00 H new ATOM 0 HA ASN A 83 15.306 8.132 -9.458 1.00 0.00 H new ATOM 0 HB2 ASN A 83 14.316 10.100 -8.346 1.00 0.00 H new ATOM 0 HB3 ASN A 83 13.547 9.070 -7.154 1.00 0.00 H new ATOM 0 HD21 ASN A 83 16.292 9.679 -5.038 1.00 0.00 H new ATOM 0 HD22 ASN A 83 14.556 9.834 -5.327 1.00 0.00 H new ATOM 1349 N LEU A 84 13.641 6.288 -7.269 1.00 0.00 N ATOM 1350 CA LEU A 84 13.699 5.052 -6.495 1.00 0.00 C ATOM 1351 C LEU A 84 13.899 3.847 -7.408 1.00 0.00 C ATOM 1352 O LEU A 84 13.022 3.502 -8.200 1.00 0.00 O ATOM 1353 CB LEU A 84 12.418 4.879 -5.677 1.00 0.00 C ATOM 1354 CG LEU A 84 12.595 4.818 -4.159 1.00 0.00 C ATOM 1355 CD1 LEU A 84 13.394 3.586 -3.764 1.00 0.00 C ATOM 1356 CD2 LEU A 84 13.272 6.081 -3.649 1.00 0.00 C ATOM 0 H LEU A 84 12.764 6.802 -7.178 1.00 0.00 H new ATOM 0 HA LEU A 84 14.550 5.116 -5.817 1.00 0.00 H new ATOM 0 HB2 LEU A 84 11.746 5.705 -5.912 1.00 0.00 H new ATOM 0 HB3 LEU A 84 11.924 3.964 -6.002 1.00 0.00 H new ATOM 0 HG LEU A 84 11.609 4.749 -3.700 1.00 0.00 H new ATOM 0 HD11 LEU A 84 13.510 3.559 -2.680 1.00 0.00 H new ATOM 0 HD12 LEU A 84 12.869 2.690 -4.095 1.00 0.00 H new ATOM 0 HD13 LEU A 84 14.377 3.624 -4.233 1.00 0.00 H new ATOM 0 HD21 LEU A 84 13.389 6.019 -2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 84 14.252 6.182 -4.115 1.00 0.00 H new ATOM 0 HD23 LEU A 84 12.660 6.948 -3.899 1.00 0.00 H new ATOM 1368 N VAL A 85 15.059 3.209 -7.291 1.00 0.00 N ATOM 1369 CA VAL A 85 15.374 2.039 -8.103 1.00 0.00 C ATOM 1370 C VAL A 85 14.599 0.815 -7.628 1.00 0.00 C ATOM 1371 O VAL A 85 14.657 -0.249 -8.245 1.00 0.00 O ATOM 1372 CB VAL A 85 16.881 1.723 -8.072 1.00 0.00 C ATOM 1373 CG1 VAL A 85 17.144 0.453 -7.277 1.00 0.00 C ATOM 1374 CG2 VAL A 85 17.429 1.600 -9.486 1.00 0.00 C ATOM 0 H VAL A 85 15.797 3.482 -6.642 1.00 0.00 H new ATOM 0 HA VAL A 85 15.081 2.276 -9.126 1.00 0.00 H new ATOM 0 HB VAL A 85 17.397 2.546 -7.578 1.00 0.00 H new ATOM 0 HG11 VAL A 85 18.214 0.246 -7.266 1.00 0.00 H new ATOM 0 HG12 VAL A 85 16.789 0.584 -6.255 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.617 -0.382 -7.740 1.00 0.00 H new ATOM 0 HG21 VAL A 85 18.495 1.377 -9.445 1.00 0.00 H new ATOM 0 HG22 VAL A 85 16.910 0.797 -10.009 1.00 0.00 H new ATOM 0 HG23 VAL A 85 17.275 2.538 -10.019 1.00 0.00 H new ATOM 1384 N THR A 86 13.872 0.973 -6.526 1.00 0.00 N ATOM 1385 CA THR A 86 13.085 -0.119 -5.967 1.00 0.00 C ATOM 1386 C THR A 86 13.800 -1.454 -6.136 1.00 0.00 C ATOM 1387 O THR A 86 15.025 -1.503 -6.261 1.00 0.00 O ATOM 1388 CB THR A 86 11.696 -0.206 -6.627 1.00 0.00 C ATOM 1389 OG1 THR A 86 11.795 -0.876 -7.889 1.00 0.00 O ATOM 1390 CG2 THR A 86 11.105 1.181 -6.829 1.00 0.00 C ATOM 0 H THR A 86 13.812 1.847 -6.003 1.00 0.00 H new ATOM 0 HA THR A 86 12.961 0.092 -4.905 1.00 0.00 H new ATOM 0 HB THR A 86 11.039 -0.771 -5.966 1.00 0.00 H new ATOM 0 HG1 THR A 86 12.670 -0.692 -8.289 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.124 1.094 -7.296 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.004 1.678 -5.864 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.763 1.767 -7.472 1.00 0.00 H new ATOM 1398 N LEU A 87 13.029 -2.536 -6.139 1.00 0.00 N ATOM 1399 CA LEU A 87 13.590 -3.874 -6.294 1.00 0.00 C ATOM 1400 C LEU A 87 13.328 -4.415 -7.696 1.00 0.00 C ATOM 1401 O LEU A 87 14.259 -4.769 -8.419 1.00 0.00 O ATOM 1402 CB LEU A 87 12.995 -4.821 -5.250 1.00 0.00 C ATOM 1403 CG LEU A 87 13.352 -4.524 -3.793 1.00 0.00 C ATOM 1404 CD1 LEU A 87 13.498 -5.816 -3.005 1.00 0.00 C ATOM 1405 CD2 LEU A 87 14.629 -3.701 -3.714 1.00 0.00 C ATOM 0 H LEU A 87 12.014 -2.513 -6.036 1.00 0.00 H new ATOM 0 HA LEU A 87 14.668 -3.809 -6.145 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.910 -4.802 -5.348 1.00 0.00 H new ATOM 0 HB3 LEU A 87 13.318 -5.836 -5.483 1.00 0.00 H new ATOM 0 HG LEU A 87 12.542 -3.944 -3.352 1.00 0.00 H new ATOM 0 HD11 LEU A 87 13.752 -5.585 -1.971 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.558 -6.367 -3.033 1.00 0.00 H new ATOM 0 HD13 LEU A 87 14.288 -6.424 -3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 87 14.868 -3.499 -2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 87 15.448 -4.255 -4.173 1.00 0.00 H new ATOM 0 HD23 LEU A 87 14.488 -2.758 -4.243 1.00 0.00 H new ATOM 1417 N ALA A 88 12.056 -4.476 -8.073 1.00 0.00 N ATOM 1418 CA ALA A 88 11.672 -4.969 -9.390 1.00 0.00 C ATOM 1419 C ALA A 88 11.342 -3.818 -10.334 1.00 0.00 C ATOM 1420 O ALA A 88 10.766 -2.809 -9.923 1.00 0.00 O ATOM 1421 CB ALA A 88 10.486 -5.915 -9.274 1.00 0.00 C ATOM 0 H ALA A 88 11.273 -4.190 -7.485 1.00 0.00 H new ATOM 0 HA ALA A 88 12.519 -5.514 -9.807 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.210 -6.276 -10.265 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.756 -6.761 -8.642 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.641 -5.387 -8.832 1.00 0.00 H new ATOM 1427 N THR A 89 11.711 -3.973 -11.601 1.00 0.00 N ATOM 1428 CA THR A 89 11.456 -2.945 -12.603 1.00 0.00 C ATOM 1429 C THR A 89 9.972 -2.606 -12.677 1.00 0.00 C ATOM 1430 O THR A 89 9.458 -2.389 -13.774 1.00 0.00 O ATOM 1431 CB THR A 89 11.940 -3.387 -13.997 1.00 0.00 C ATOM 1432 OG1 THR A 89 11.716 -4.790 -14.172 1.00 0.00 O ATOM 1433 CG2 THR A 89 13.419 -3.077 -14.179 1.00 0.00 C ATOM 0 H THR A 89 12.188 -4.801 -11.958 1.00 0.00 H new ATOM 0 HA THR A 89 12.013 -2.060 -12.297 1.00 0.00 H new ATOM 0 HB THR A 89 11.374 -2.834 -14.746 1.00 0.00 H new ATOM 0 HG1 THR A 89 12.025 -5.062 -15.061 1.00 0.00 H new ATOM 0 HG21 THR A 89 13.739 -3.398 -15.170 1.00 0.00 H new ATOM 0 HG22 THR A 89 13.581 -2.004 -14.075 1.00 0.00 H new ATOM 0 HG23 THR A 89 13.998 -3.607 -13.422 1.00 0.00 H new TER 1441 THR A 89 ATOM 1442 N SER B 115 6.120 17.926 18.704 1.00 0.00 N ATOM 1443 CA SER B 115 6.643 17.570 20.018 1.00 0.00 C ATOM 1444 C SER B 115 7.969 16.827 19.892 1.00 0.00 C ATOM 1445 O SER B 115 8.737 16.740 20.850 1.00 0.00 O ATOM 1446 CB SER B 115 5.632 16.709 20.776 1.00 0.00 C ATOM 1447 OG SER B 115 5.547 17.099 22.136 1.00 0.00 O ATOM 0 HA SER B 115 6.815 18.491 20.575 1.00 0.00 H new ATOM 0 HB2 SER B 115 4.652 16.797 20.308 1.00 0.00 H new ATOM 0 HB3 SER B 115 5.923 15.660 20.713 1.00 0.00 H new ATOM 0 HG SER B 115 4.893 16.534 22.598 1.00 0.00 H new ATOM 1453 N GLN B 116 8.231 16.292 18.704 1.00 0.00 N ATOM 1454 CA GLN B 116 9.463 15.555 18.452 1.00 0.00 C ATOM 1455 C GLN B 116 10.404 16.356 17.558 1.00 0.00 C ATOM 1456 O GLN B 116 10.522 16.084 16.364 1.00 0.00 O ATOM 1457 CB GLN B 116 9.152 14.205 17.805 1.00 0.00 C ATOM 1458 CG GLN B 116 8.864 13.100 18.809 1.00 0.00 C ATOM 1459 CD GLN B 116 9.931 12.023 18.814 1.00 0.00 C ATOM 1460 OE1 GLN B 116 9.646 10.850 18.574 1.00 0.00 O ATOM 1461 NE2 GLN B 116 11.169 12.418 19.087 1.00 0.00 N ATOM 0 H GLN B 116 7.606 16.355 17.900 1.00 0.00 H new ATOM 0 HA GLN B 116 9.957 15.386 19.409 1.00 0.00 H new ATOM 0 HB2 GLN B 116 8.292 14.318 17.145 1.00 0.00 H new ATOM 0 HB3 GLN B 116 9.995 13.907 17.182 1.00 0.00 H new ATOM 0 HG2 GLN B 116 8.785 13.532 19.806 1.00 0.00 H new ATOM 0 HG3 GLN B 116 7.899 12.649 18.580 1.00 0.00 H new ATOM 0 HE21 GLN B 116 11.360 13.401 19.280 1.00 0.00 H new ATOM 0 HE22 GLN B 116 11.929 11.738 19.104 1.00 0.00 H new ATOM 1470 N GLU B 117 11.071 17.345 18.145 1.00 0.00 N ATOM 1471 CA GLU B 117 12.000 18.186 17.400 1.00 0.00 C ATOM 1472 C GLU B 117 11.249 19.149 16.485 1.00 0.00 C ATOM 1473 O GLU B 117 11.295 20.366 16.672 1.00 0.00 O ATOM 1474 CB GLU B 117 12.956 17.322 16.575 1.00 0.00 C ATOM 1475 CG GLU B 117 14.212 18.055 16.133 1.00 0.00 C ATOM 1476 CD GLU B 117 15.010 17.276 15.106 1.00 0.00 C ATOM 1477 OE1 GLU B 117 14.645 17.323 13.912 1.00 0.00 O ATOM 1478 OE2 GLU B 117 15.999 16.621 15.495 1.00 0.00 O ATOM 0 H GLU B 117 10.985 17.583 19.133 1.00 0.00 H new ATOM 0 HA GLU B 117 12.577 18.770 18.118 1.00 0.00 H new ATOM 0 HB2 GLU B 117 13.242 16.450 17.162 1.00 0.00 H new ATOM 0 HB3 GLU B 117 12.431 16.954 15.693 1.00 0.00 H new ATOM 0 HG2 GLU B 117 13.935 19.023 15.715 1.00 0.00 H new ATOM 0 HG3 GLU B 117 14.839 18.251 17.003 1.00 0.00 H new ATOM 1485 N THR B 118 10.556 18.596 15.494 1.00 0.00 N ATOM 1486 CA THR B 118 9.796 19.404 14.549 1.00 0.00 C ATOM 1487 C THR B 118 9.529 18.636 13.259 1.00 0.00 C ATOM 1488 O THR B 118 8.389 18.282 12.961 1.00 0.00 O ATOM 1489 CB THR B 118 10.533 20.714 14.210 1.00 0.00 C ATOM 1490 OG1 THR B 118 10.059 21.234 12.963 1.00 0.00 O ATOM 1491 CG2 THR B 118 12.035 20.485 14.132 1.00 0.00 C ATOM 0 H THR B 118 10.506 17.591 15.325 1.00 0.00 H new ATOM 0 HA THR B 118 8.847 19.643 15.029 1.00 0.00 H new ATOM 0 HB THR B 118 10.332 21.434 15.003 1.00 0.00 H new ATOM 0 HG1 THR B 118 9.493 22.016 13.129 1.00 0.00 H new ATOM 0 HG21 THR B 118 12.534 21.424 13.891 1.00 0.00 H new ATOM 0 HG22 THR B 118 12.397 20.117 15.092 1.00 0.00 H new ATOM 0 HG23 THR B 118 12.251 19.750 13.357 1.00 0.00 H new ATOM 1499 N PHE B 119 10.588 18.382 12.498 1.00 0.00 N ATOM 1500 CA PHE B 119 10.468 17.655 11.239 1.00 0.00 C ATOM 1501 C PHE B 119 9.680 16.362 11.431 1.00 0.00 C ATOM 1502 O PHE B 119 8.776 16.053 10.655 1.00 0.00 O ATOM 1503 CB PHE B 119 11.854 17.342 10.672 1.00 0.00 C ATOM 1504 CG PHE B 119 11.894 17.312 9.171 1.00 0.00 C ATOM 1505 CD1 PHE B 119 10.721 17.275 8.434 1.00 0.00 C ATOM 1506 CD2 PHE B 119 13.105 17.320 8.497 1.00 0.00 C ATOM 1507 CE1 PHE B 119 10.756 17.246 7.052 1.00 0.00 C ATOM 1508 CE2 PHE B 119 13.145 17.291 7.115 1.00 0.00 C ATOM 1509 CZ PHE B 119 11.969 17.255 6.392 1.00 0.00 C ATOM 0 H PHE B 119 11.539 18.669 12.731 1.00 0.00 H new ATOM 0 HA PHE B 119 9.929 18.287 10.533 1.00 0.00 H new ATOM 0 HB2 PHE B 119 12.562 18.089 11.032 1.00 0.00 H new ATOM 0 HB3 PHE B 119 12.186 16.377 11.056 1.00 0.00 H new ATOM 0 HD1 PHE B 119 9.769 17.269 8.945 1.00 0.00 H new ATOM 0 HD2 PHE B 119 14.028 17.349 9.057 1.00 0.00 H new ATOM 0 HE1 PHE B 119 9.835 17.216 6.489 1.00 0.00 H new ATOM 0 HE2 PHE B 119 14.095 17.297 6.602 1.00 0.00 H new ATOM 0 HZ PHE B 119 11.998 17.234 5.313 1.00 0.00 H new ATOM 1519 N SER B 120 10.032 15.610 12.469 1.00 0.00 N ATOM 1520 CA SER B 120 9.362 14.349 12.761 1.00 0.00 C ATOM 1521 C SER B 120 7.876 14.570 13.021 1.00 0.00 C ATOM 1522 O SER B 120 7.082 13.629 12.992 1.00 0.00 O ATOM 1523 CB SER B 120 10.008 13.672 13.971 1.00 0.00 C ATOM 1524 OG SER B 120 10.068 12.267 13.799 1.00 0.00 O ATOM 0 H SER B 120 10.777 15.853 13.122 1.00 0.00 H new ATOM 0 HA SER B 120 9.468 13.701 11.891 1.00 0.00 H new ATOM 0 HB2 SER B 120 11.013 14.066 14.118 1.00 0.00 H new ATOM 0 HB3 SER B 120 9.438 13.907 14.870 1.00 0.00 H new ATOM 0 HG SER B 120 10.486 11.859 14.586 1.00 0.00 H new ATOM 1530 N ASP B 121 7.506 15.821 13.275 1.00 0.00 N ATOM 1531 CA ASP B 121 6.115 16.168 13.539 1.00 0.00 C ATOM 1532 C ASP B 121 5.285 16.102 12.261 1.00 0.00 C ATOM 1533 O ASP B 121 4.269 15.408 12.202 1.00 0.00 O ATOM 1534 CB ASP B 121 6.023 17.568 14.149 1.00 0.00 C ATOM 1535 CG ASP B 121 4.653 17.858 14.729 1.00 0.00 C ATOM 1536 OD1 ASP B 121 3.673 17.874 13.955 1.00 0.00 O ATOM 1537 OD2 ASP B 121 4.560 18.071 15.956 1.00 0.00 O ATOM 0 H ASP B 121 8.150 16.611 13.304 1.00 0.00 H new ATOM 0 HA ASP B 121 5.715 15.443 14.248 1.00 0.00 H new ATOM 0 HB2 ASP B 121 6.775 17.670 14.932 1.00 0.00 H new ATOM 0 HB3 ASP B 121 6.255 18.310 13.385 1.00 0.00 H new ATOM 1542 N LEU B 122 5.724 16.828 11.239 1.00 0.00 N ATOM 1543 CA LEU B 122 5.022 16.852 9.960 1.00 0.00 C ATOM 1544 C LEU B 122 5.558 15.774 9.024 1.00 0.00 C ATOM 1545 O LEU B 122 4.793 15.106 8.329 1.00 0.00 O ATOM 1546 CB LEU B 122 5.162 18.228 9.306 1.00 0.00 C ATOM 1547 CG LEU B 122 4.902 19.432 10.212 1.00 0.00 C ATOM 1548 CD1 LEU B 122 6.171 20.251 10.388 1.00 0.00 C ATOM 1549 CD2 LEU B 122 3.784 20.294 9.645 1.00 0.00 C ATOM 0 H LEU B 122 6.563 17.408 11.271 1.00 0.00 H new ATOM 0 HA LEU B 122 3.967 16.651 10.148 1.00 0.00 H new ATOM 0 HB2 LEU B 122 6.170 18.315 8.901 1.00 0.00 H new ATOM 0 HB3 LEU B 122 4.474 18.279 8.462 1.00 0.00 H new ATOM 0 HG LEU B 122 4.591 19.066 11.191 1.00 0.00 H new ATOM 0 HD11 LEU B 122 5.967 21.104 11.036 1.00 0.00 H new ATOM 0 HD12 LEU B 122 6.945 19.630 10.839 1.00 0.00 H new ATOM 0 HD13 LEU B 122 6.512 20.607 9.416 1.00 0.00 H new ATOM 0 HD21 LEU B 122 3.612 21.146 10.303 1.00 0.00 H new ATOM 0 HD22 LEU B 122 4.066 20.651 8.655 1.00 0.00 H new ATOM 0 HD23 LEU B 122 2.871 19.703 9.571 1.00 0.00 H new ATOM 1561 N TRP B 123 6.876 15.609 9.013 1.00 0.00 N ATOM 1562 CA TRP B 123 7.514 14.610 8.163 1.00 0.00 C ATOM 1563 C TRP B 123 6.740 13.297 8.191 1.00 0.00 C ATOM 1564 O TRP B 123 6.437 12.720 7.147 1.00 0.00 O ATOM 1565 CB TRP B 123 8.957 14.375 8.612 1.00 0.00 C ATOM 1566 CG TRP B 123 9.760 13.572 7.634 1.00 0.00 C ATOM 1567 CD1 TRP B 123 10.427 12.406 7.883 1.00 0.00 C ATOM 1568 CD2 TRP B 123 9.983 13.878 6.253 1.00 0.00 C ATOM 1569 NE1 TRP B 123 11.050 11.968 6.740 1.00 0.00 N ATOM 1570 CE2 TRP B 123 10.793 12.853 5.726 1.00 0.00 C ATOM 1571 CE3 TRP B 123 9.576 14.915 5.411 1.00 0.00 C ATOM 1572 CZ2 TRP B 123 11.202 12.839 4.395 1.00 0.00 C ATOM 1573 CZ3 TRP B 123 9.983 14.900 4.090 1.00 0.00 C ATOM 1574 CH2 TRP B 123 10.789 13.867 3.593 1.00 0.00 C ATOM 0 H TRP B 123 7.523 16.154 9.583 1.00 0.00 H new ATOM 0 HA TRP B 123 7.516 14.987 7.140 1.00 0.00 H new ATOM 0 HB2 TRP B 123 9.443 15.338 8.766 1.00 0.00 H new ATOM 0 HB3 TRP B 123 8.952 13.863 9.574 1.00 0.00 H new ATOM 0 HD1 TRP B 123 10.460 11.903 8.838 1.00 0.00 H new ATOM 0 HE1 TRP B 123 11.613 11.121 6.659 1.00 0.00 H new ATOM 0 HE3 TRP B 123 8.954 15.715 5.785 1.00 0.00 H new ATOM 0 HZ2 TRP B 123 11.824 12.044 4.010 1.00 0.00 H new ATOM 0 HZ3 TRP B 123 9.675 15.697 3.430 1.00 0.00 H new ATOM 0 HH2 TRP B 123 11.090 13.883 2.556 1.00 0.00 H new ATOM 1585 N LYS B 124 6.420 12.829 9.393 1.00 0.00 N ATOM 1586 CA LYS B 124 5.680 11.584 9.558 1.00 0.00 C ATOM 1587 C LYS B 124 4.531 11.498 8.559 1.00 0.00 C ATOM 1588 O LYS B 124 4.202 10.418 8.067 1.00 0.00 O ATOM 1589 CB LYS B 124 5.137 11.475 10.985 1.00 0.00 C ATOM 1590 CG LYS B 124 6.003 10.627 11.902 1.00 0.00 C ATOM 1591 CD LYS B 124 5.303 10.337 13.219 1.00 0.00 C ATOM 1592 CE LYS B 124 5.257 8.844 13.508 1.00 0.00 C ATOM 1593 NZ LYS B 124 4.342 8.527 14.639 1.00 0.00 N ATOM 0 H LYS B 124 6.662 13.294 10.268 1.00 0.00 H new ATOM 0 HA LYS B 124 6.364 10.756 9.371 1.00 0.00 H new ATOM 0 HB2 LYS B 124 5.046 12.476 11.408 1.00 0.00 H new ATOM 0 HB3 LYS B 124 4.134 11.051 10.952 1.00 0.00 H new ATOM 0 HG2 LYS B 124 6.250 9.688 11.406 1.00 0.00 H new ATOM 0 HG3 LYS B 124 6.944 11.143 12.095 1.00 0.00 H new ATOM 0 HD2 LYS B 124 5.822 10.850 14.029 1.00 0.00 H new ATOM 0 HD3 LYS B 124 4.288 10.734 13.188 1.00 0.00 H new ATOM 0 HE2 LYS B 124 4.930 8.311 12.615 1.00 0.00 H new ATOM 0 HE3 LYS B 124 6.260 8.488 13.742 1.00 0.00 H new ATOM 0 HZ1 LYS B 124 4.338 7.500 14.805 1.00 0.00 H new ATOM 0 HZ2 LYS B 124 4.669 9.015 15.497 1.00 0.00 H new ATOM 0 HZ3 LYS B 124 3.379 8.844 14.406 1.00 0.00 H new ATOM 1607 N LEU B 125 3.925 12.643 8.261 1.00 0.00 N ATOM 1608 CA LEU B 125 2.813 12.697 7.318 1.00 0.00 C ATOM 1609 C LEU B 125 3.108 11.856 6.080 1.00 0.00 C ATOM 1610 O LEU B 125 2.193 11.428 5.375 1.00 0.00 O ATOM 1611 CB LEU B 125 2.534 14.145 6.911 1.00 0.00 C ATOM 1612 CG LEU B 125 1.777 14.995 7.931 1.00 0.00 C ATOM 1613 CD1 LEU B 125 2.056 14.507 9.345 1.00 0.00 C ATOM 1614 CD2 LEU B 125 2.155 16.462 7.788 1.00 0.00 C ATOM 0 H LEU B 125 4.185 13.546 8.659 1.00 0.00 H new ATOM 0 HA LEU B 125 1.931 12.288 7.810 1.00 0.00 H new ATOM 0 HB2 LEU B 125 3.486 14.631 6.698 1.00 0.00 H new ATOM 0 HB3 LEU B 125 1.965 14.137 5.981 1.00 0.00 H new ATOM 0 HG LEU B 125 0.709 14.895 7.738 1.00 0.00 H new ATOM 0 HD11 LEU B 125 1.509 15.124 10.058 1.00 0.00 H new ATOM 0 HD12 LEU B 125 1.735 13.470 9.442 1.00 0.00 H new ATOM 0 HD13 LEU B 125 3.124 14.577 9.550 1.00 0.00 H new ATOM 0 HD21 LEU B 125 1.607 17.052 8.522 1.00 0.00 H new ATOM 0 HD22 LEU B 125 3.226 16.580 7.955 1.00 0.00 H new ATOM 0 HD23 LEU B 125 1.904 16.806 6.785 1.00 0.00 H new ATOM 1626 N LEU B 126 4.389 11.621 5.822 1.00 0.00 N ATOM 1627 CA LEU B 126 4.805 10.829 4.670 1.00 0.00 C ATOM 1628 C LEU B 126 5.284 9.447 5.104 1.00 0.00 C ATOM 1629 O LEU B 126 6.478 9.145 5.094 1.00 0.00 O ATOM 1630 CB LEU B 126 5.917 11.549 3.905 1.00 0.00 C ATOM 1631 CG LEU B 126 5.553 12.915 3.322 1.00 0.00 C ATOM 1632 CD1 LEU B 126 5.681 13.999 4.381 1.00 0.00 C ATOM 1633 CD2 LEU B 126 6.433 13.233 2.121 1.00 0.00 C ATOM 0 H LEU B 126 5.158 11.968 6.395 1.00 0.00 H new ATOM 0 HA LEU B 126 3.943 10.706 4.015 1.00 0.00 H new ATOM 0 HB2 LEU B 126 6.768 11.677 4.574 1.00 0.00 H new ATOM 0 HB3 LEU B 126 6.247 10.904 3.090 1.00 0.00 H new ATOM 0 HG LEU B 126 4.516 12.882 2.989 1.00 0.00 H new ATOM 0 HD11 LEU B 126 5.418 14.964 3.948 1.00 0.00 H new ATOM 0 HD12 LEU B 126 5.009 13.778 5.210 1.00 0.00 H new ATOM 0 HD13 LEU B 126 6.708 14.033 4.745 1.00 0.00 H new ATOM 0 HD21 LEU B 126 6.161 14.209 1.718 1.00 0.00 H new ATOM 0 HD22 LEU B 126 7.478 13.247 2.429 1.00 0.00 H new ATOM 0 HD23 LEU B 126 6.291 12.472 1.354 1.00 0.00 H new ATOM 1645 N PRO B 127 4.332 8.585 5.491 1.00 0.00 N ATOM 1646 CA PRO B 127 4.632 7.220 5.933 1.00 0.00 C ATOM 1647 C PRO B 127 5.108 6.332 4.789 1.00 0.00 C ATOM 1648 O PRO B 127 5.812 5.347 5.007 1.00 0.00 O ATOM 1649 CB PRO B 127 3.292 6.720 6.477 1.00 0.00 C ATOM 1650 CG PRO B 127 2.267 7.528 5.758 1.00 0.00 C ATOM 1651 CD PRO B 127 2.889 8.877 5.528 1.00 0.00 C ATOM 0 HA PRO B 127 5.439 7.197 6.665 1.00 0.00 H new ATOM 0 HB2 PRO B 127 3.161 5.655 6.288 1.00 0.00 H new ATOM 0 HB3 PRO B 127 3.224 6.863 7.555 1.00 0.00 H new ATOM 0 HG2 PRO B 127 1.993 7.059 4.813 1.00 0.00 H new ATOM 0 HG3 PRO B 127 1.354 7.615 6.348 1.00 0.00 H new ATOM 0 HD2 PRO B 127 2.545 9.324 4.595 1.00 0.00 H new ATOM 0 HD3 PRO B 127 2.641 9.576 6.327 1.00 0.00 H new ATOM 1659 N GLU B 128 4.718 6.687 3.568 1.00 0.00 N ATOM 1660 CA GLU B 128 5.105 5.921 2.390 1.00 0.00 C ATOM 1661 C GLU B 128 4.142 6.177 1.234 1.00 0.00 C ATOM 1662 O GLU B 128 4.533 6.142 0.068 1.00 0.00 O ATOM 1663 CB GLU B 128 5.142 4.426 2.716 1.00 0.00 C ATOM 1664 CG GLU B 128 4.054 3.986 3.681 1.00 0.00 C ATOM 1665 CD GLU B 128 3.175 2.891 3.109 1.00 0.00 C ATOM 1666 OE1 GLU B 128 3.586 2.259 2.114 1.00 0.00 O ATOM 1667 OE2 GLU B 128 2.076 2.667 3.658 1.00 0.00 O ATOM 0 H GLU B 128 4.135 7.500 3.370 1.00 0.00 H new ATOM 0 HA GLU B 128 6.101 6.245 2.089 1.00 0.00 H new ATOM 0 HB2 GLU B 128 5.046 3.858 1.790 1.00 0.00 H new ATOM 0 HB3 GLU B 128 6.115 4.180 3.142 1.00 0.00 H new ATOM 0 HG2 GLU B 128 4.513 3.633 4.604 1.00 0.00 H new ATOM 0 HG3 GLU B 128 3.435 4.845 3.941 1.00 0.00 H new ATOM 1674 N ASN B 129 2.882 6.434 1.567 1.00 0.00 N ATOM 1675 CA ASN B 129 1.862 6.694 0.558 1.00 0.00 C ATOM 1676 C ASN B 129 1.173 8.031 0.813 1.00 0.00 C ATOM 1677 O ASN B 129 1.510 8.743 1.759 1.00 0.00 O ATOM 1678 CB ASN B 129 0.826 5.568 0.547 1.00 0.00 C ATOM 1679 CG ASN B 129 1.286 4.367 -0.257 1.00 0.00 C ATOM 1680 OD1 ASN B 129 2.370 3.830 -0.026 1.00 0.00 O ATOM 1681 ND2 ASN B 129 0.463 3.940 -1.207 1.00 0.00 N ATOM 0 H ASN B 129 2.542 6.468 2.528 1.00 0.00 H new ATOM 0 HA ASN B 129 2.352 6.737 -0.415 1.00 0.00 H new ATOM 0 HB2 ASN B 129 0.619 5.258 1.571 1.00 0.00 H new ATOM 0 HB3 ASN B 129 -0.110 5.943 0.132 1.00 0.00 H new ATOM 0 HD21 ASN B 129 0.719 3.136 -1.780 1.00 0.00 H new ATOM 0 HD22 ASN B 129 -0.426 4.416 -1.364 1.00 0.00 H new TER 1688 ASN B 129