USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1033 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 ASN : amide:sc= 0.0959 K(o=0.27,f=-2.3) USER MOD Set 1.2: A 130 LYS NZ :NH3+ 170:sc= 0.173 (180deg=-0.192) USER MOD Set 2.1: A 89 ASN : amide:sc= -0.966! C(o=-0.15!,f=-1.8!) USER MOD Set 2.2: A 123 GLN : amide:sc= 0.82 K(o=-0.15,f=-1.1) USER MOD Set 3.1: A 104 SER OG : rot 100:sc= -1.04! USER MOD Set 3.2: A 108 SER OG : rot -68:sc= -0.127 USER MOD Set 4.1: A 82 CYS SG : rot 147:sc= -0.277 USER MOD Set 4.2: A 102 THR OG1 : rot -19:sc= 1.34 USER MOD Set 5.1: A 9 GLN : amide:sc= 0.572 X(o=-0.36,f=-0.57) USER MOD Set 5.2: A 11 GLN : amide:sc= -0.931! X(o=-0.36!,f=-0.57) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 132:sc= 1.08 USER MOD Single : A 15 HIS :FLIP no HD1:sc= -0.0817 F(o=-0.9,f=-0.082) USER MOD Single : A 16 HIS :FLIP no HD1:sc= -0.684 F(o=-1.7!,f=-0.68) USER MOD Single : A 17 ASN : amide:sc=-0.00936 X(o=-0.0094,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 161:sc= -0.0524 (180deg=-0.337) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 65:sc= 1.18 USER MOD Single : A 32 SER OG : rot 76:sc= 0.606 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 70:sc= 2.18 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0.268 X(o=0.27,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc=-0.00854 K(o=-0.0085,f=-0.99) USER MOD Single : A 60 THR OG1 : rot 75:sc= 1.22 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 149:sc= 0.659 (180deg=0.0238) USER MOD Single : A 76 SER OG : rot 87:sc= 1.19 USER MOD Single : A 85 THR OG1 : rot 85:sc= 1.22 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 1.32 K(o=1.3,f=-0.26) USER MOD Single : A 91 GLN : amide:sc= 0.187 X(o=0.19,f=0) USER MOD Single : A 94 ASN : amide:sc= -0.0821 K(o=-0.082,f=-1.1) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -0.174 X(o=-0.17,f=0) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -110:sc= 1.26 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= 0.347 K(o=0.35,f=-0.4) USER MOD Single : A 114 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 115 GLN :FLIP amide:sc= -1.05 F(o=-4.3!,f=-1.1) USER MOD Single : A 116 TYR OH : rot 180:sc= 0.305 USER MOD Single : A 125 GLN : amide:sc= -0.257 X(o=-0.26,f=-0.58) USER MOD Single : A 129 THR OG1 : rot -160:sc= 0 USER MOD Single : A 134 LYS NZ :NH3+ -166:sc= 2.19 (180deg=1.97) USER MOD Single : A 138 LYS NZ :NH3+ 171:sc= 0.312 (180deg=0.283) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 3.636 9.162 2.939 1.00 0.00 N ATOM 2 CA PRO A 1 4.328 8.428 1.875 1.00 0.00 C ATOM 3 C PRO A 1 5.828 8.732 1.927 1.00 0.00 C ATOM 4 O PRO A 1 6.265 9.523 2.736 1.00 0.00 O ATOM 5 CB PRO A 1 3.755 8.882 0.539 1.00 0.00 C ATOM 6 CG PRO A 1 2.638 9.798 0.927 1.00 0.00 C ATOM 7 CD PRO A 1 2.968 10.299 2.326 1.00 0.00 C ATOM 0 H2 PRO A 1 4.299 9.475 3.648 1.00 0.00 H new ATOM 0 H3 PRO A 1 2.960 8.560 3.409 1.00 0.00 H new ATOM 0 HA PRO A 1 4.187 7.355 2.002 1.00 0.00 H new ATOM 0 HB2 PRO A 1 4.503 9.396 -0.064 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.395 8.038 -0.050 1.00 0.00 H new ATOM 0 HG2 PRO A 1 2.554 10.628 0.226 1.00 0.00 H new ATOM 0 HG3 PRO A 1 1.683 9.273 0.916 1.00 0.00 H new ATOM 0 HD2 PRO A 1 3.613 11.177 2.297 1.00 0.00 H new ATOM 0 HD3 PRO A 1 2.069 10.582 2.875 1.00 0.00 H new ATOM 17 N VAL A 2 6.600 8.104 1.093 1.00 0.00 N ATOM 18 CA VAL A 2 8.014 8.386 1.047 1.00 0.00 C ATOM 19 C VAL A 2 8.223 9.396 -0.059 1.00 0.00 C ATOM 20 O VAL A 2 7.666 9.236 -1.147 1.00 0.00 O ATOM 21 CB VAL A 2 8.857 7.100 0.766 1.00 0.00 C ATOM 22 CG1 VAL A 2 10.340 7.397 0.791 1.00 0.00 C ATOM 23 CG2 VAL A 2 8.528 5.981 1.745 1.00 0.00 C ATOM 0 H VAL A 2 6.282 7.393 0.434 1.00 0.00 H new ATOM 0 HA VAL A 2 8.346 8.770 2.011 1.00 0.00 H new ATOM 0 HB VAL A 2 8.589 6.761 -0.235 1.00 0.00 H new ATOM 0 HG11 VAL A 2 10.898 6.482 0.592 1.00 0.00 H new ATOM 0 HG12 VAL A 2 10.575 8.139 0.028 1.00 0.00 H new ATOM 0 HG13 VAL A 2 10.617 7.785 1.771 1.00 0.00 H new ATOM 0 HG21 VAL A 2 9.136 5.106 1.515 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.740 6.313 2.761 1.00 0.00 H new ATOM 0 HG23 VAL A 2 7.473 5.722 1.661 1.00 0.00 H new ATOM 33 N THR A 3 8.979 10.450 0.195 1.00 0.00 N ATOM 34 CA THR A 3 9.220 11.456 -0.804 1.00 0.00 C ATOM 35 C THR A 3 10.685 11.937 -0.695 1.00 0.00 C ATOM 36 O THR A 3 11.279 11.912 0.413 1.00 0.00 O ATOM 37 CB THR A 3 8.194 12.627 -0.639 1.00 0.00 C ATOM 38 OG1 THR A 3 8.453 13.714 -1.535 1.00 0.00 O ATOM 39 CG2 THR A 3 8.133 13.123 0.806 1.00 0.00 C ATOM 0 H THR A 3 9.435 10.624 1.091 1.00 0.00 H new ATOM 0 HA THR A 3 9.077 11.043 -1.803 1.00 0.00 H new ATOM 0 HB THR A 3 7.219 12.216 -0.901 1.00 0.00 H new ATOM 0 HG1 THR A 3 7.786 14.419 -1.396 1.00 0.00 H new ATOM 0 HG21 THR A 3 7.410 13.936 0.882 1.00 0.00 H new ATOM 0 HG22 THR A 3 7.829 12.305 1.459 1.00 0.00 H new ATOM 0 HG23 THR A 3 9.116 13.483 1.109 1.00 0.00 H new ATOM 47 N GLU A 4 11.287 12.346 -1.816 1.00 0.00 N ATOM 48 CA GLU A 4 12.675 12.748 -1.815 1.00 0.00 C ATOM 49 C GLU A 4 12.999 13.939 -2.677 1.00 0.00 C ATOM 50 O GLU A 4 12.299 14.299 -3.616 1.00 0.00 O ATOM 51 CB GLU A 4 13.609 11.617 -2.189 1.00 0.00 C ATOM 52 CG GLU A 4 13.270 10.986 -3.521 1.00 0.00 C ATOM 53 CD GLU A 4 14.151 9.830 -3.894 1.00 0.00 C ATOM 54 OE1 GLU A 4 13.935 8.723 -3.380 1.00 0.00 O ATOM 55 OE2 GLU A 4 15.061 10.004 -4.735 1.00 0.00 O ATOM 0 H GLU A 4 10.828 12.403 -2.725 1.00 0.00 H new ATOM 0 HA GLU A 4 12.837 13.044 -0.779 1.00 0.00 H new ATOM 0 HB2 GLU A 4 14.631 11.993 -2.221 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.575 10.853 -1.412 1.00 0.00 H new ATOM 0 HG2 GLU A 4 12.234 10.647 -3.497 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.338 11.747 -4.299 1.00 0.00 H new ATOM 62 N THR A 5 14.057 14.504 -2.295 1.00 0.00 N ATOM 63 CA THR A 5 14.685 15.577 -2.954 1.00 0.00 C ATOM 64 C THR A 5 15.981 14.985 -3.520 1.00 0.00 C ATOM 65 O THR A 5 16.458 13.991 -2.970 1.00 0.00 O ATOM 66 CB THR A 5 15.022 16.660 -1.888 1.00 0.00 C ATOM 67 OG1 THR A 5 13.844 17.309 -1.400 1.00 0.00 O ATOM 68 CG2 THR A 5 16.031 17.656 -2.363 1.00 0.00 C ATOM 0 H THR A 5 14.552 14.215 -1.451 1.00 0.00 H new ATOM 0 HA THR A 5 14.072 16.028 -3.735 1.00 0.00 H new ATOM 0 HB THR A 5 15.481 16.127 -1.056 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.867 17.336 -0.421 1.00 0.00 H new ATOM 0 HG21 THR A 5 16.223 18.384 -1.575 1.00 0.00 H new ATOM 0 HG22 THR A 5 16.958 17.142 -2.616 1.00 0.00 H new ATOM 0 HG23 THR A 5 15.648 18.169 -3.245 1.00 0.00 H new ATOM 76 N VAL A 6 16.534 15.509 -4.586 1.00 0.00 N ATOM 77 CA VAL A 6 17.810 15.059 -5.071 1.00 0.00 C ATOM 78 C VAL A 6 18.723 16.227 -5.305 1.00 0.00 C ATOM 79 O VAL A 6 18.275 17.308 -5.691 1.00 0.00 O ATOM 80 CB VAL A 6 17.733 14.160 -6.361 1.00 0.00 C ATOM 81 CG1 VAL A 6 17.042 12.833 -6.076 1.00 0.00 C ATOM 82 CG2 VAL A 6 17.047 14.890 -7.510 1.00 0.00 C ATOM 0 H VAL A 6 16.112 16.256 -5.138 1.00 0.00 H new ATOM 0 HA VAL A 6 18.214 14.419 -4.286 1.00 0.00 H new ATOM 0 HB VAL A 6 18.758 13.946 -6.664 1.00 0.00 H new ATOM 0 HG11 VAL A 6 17.006 12.238 -6.989 1.00 0.00 H new ATOM 0 HG12 VAL A 6 17.597 12.291 -5.311 1.00 0.00 H new ATOM 0 HG13 VAL A 6 16.027 13.019 -5.725 1.00 0.00 H new ATOM 0 HG21 VAL A 6 17.011 14.240 -8.384 1.00 0.00 H new ATOM 0 HG22 VAL A 6 16.032 15.159 -7.216 1.00 0.00 H new ATOM 0 HG23 VAL A 6 17.606 15.794 -7.752 1.00 0.00 H new ATOM 92 N ASP A 7 19.964 16.044 -4.974 1.00 0.00 N ATOM 93 CA ASP A 7 20.977 17.065 -5.175 1.00 0.00 C ATOM 94 C ASP A 7 21.802 16.679 -6.369 1.00 0.00 C ATOM 95 O ASP A 7 21.952 15.475 -6.661 1.00 0.00 O ATOM 96 CB ASP A 7 21.870 17.219 -3.932 1.00 0.00 C ATOM 97 CG ASP A 7 23.003 18.214 -4.099 1.00 0.00 C ATOM 98 OD1 ASP A 7 24.056 17.836 -4.644 1.00 0.00 O ATOM 99 OD2 ASP A 7 22.856 19.383 -3.713 1.00 0.00 O ATOM 0 H ASP A 7 20.316 15.184 -4.555 1.00 0.00 H new ATOM 0 HA ASP A 7 20.493 18.027 -5.344 1.00 0.00 H new ATOM 0 HB2 ASP A 7 21.251 17.528 -3.090 1.00 0.00 H new ATOM 0 HB3 ASP A 7 22.291 16.246 -3.678 1.00 0.00 H new ATOM 104 N GLY A 8 22.354 17.677 -7.028 1.00 0.00 N ATOM 105 CA GLY A 8 23.121 17.502 -8.240 1.00 0.00 C ATOM 106 C GLY A 8 24.304 16.532 -8.129 1.00 0.00 C ATOM 107 O GLY A 8 24.793 16.037 -9.153 1.00 0.00 O ATOM 0 H GLY A 8 22.280 18.649 -6.729 1.00 0.00 H new ATOM 0 HA2 GLY A 8 22.454 17.148 -9.026 1.00 0.00 H new ATOM 0 HA3 GLY A 8 23.498 18.475 -8.556 1.00 0.00 H new ATOM 111 N GLN A 9 24.772 16.254 -6.912 1.00 0.00 N ATOM 112 CA GLN A 9 25.878 15.321 -6.739 1.00 0.00 C ATOM 113 C GLN A 9 25.415 13.855 -6.827 1.00 0.00 C ATOM 114 O GLN A 9 26.233 12.941 -6.821 1.00 0.00 O ATOM 115 CB GLN A 9 26.658 15.592 -5.441 1.00 0.00 C ATOM 116 CG GLN A 9 25.866 15.421 -4.152 1.00 0.00 C ATOM 117 CD GLN A 9 26.630 15.934 -2.943 1.00 0.00 C ATOM 118 OE1 GLN A 9 27.858 15.897 -2.906 1.00 0.00 O ATOM 119 NE2 GLN A 9 25.923 16.429 -1.966 1.00 0.00 N ATOM 0 H GLN A 9 24.408 16.655 -6.047 1.00 0.00 H new ATOM 0 HA GLN A 9 26.565 15.489 -7.569 1.00 0.00 H new ATOM 0 HB2 GLN A 9 27.519 14.924 -5.409 1.00 0.00 H new ATOM 0 HB3 GLN A 9 27.045 16.610 -5.476 1.00 0.00 H new ATOM 0 HG2 GLN A 9 24.919 15.954 -4.235 1.00 0.00 H new ATOM 0 HG3 GLN A 9 25.628 14.367 -4.010 1.00 0.00 H new ATOM 0 HE21 GLN A 9 24.905 16.444 -2.030 1.00 0.00 H new ATOM 0 HE22 GLN A 9 26.388 16.801 -1.138 1.00 0.00 H new ATOM 128 N GLY A 10 24.117 13.634 -6.929 1.00 0.00 N ATOM 129 CA GLY A 10 23.610 12.281 -7.071 1.00 0.00 C ATOM 130 C GLY A 10 23.083 11.705 -5.777 1.00 0.00 C ATOM 131 O GLY A 10 23.084 10.484 -5.576 1.00 0.00 O ATOM 0 H GLY A 10 23.403 14.362 -6.917 1.00 0.00 H new ATOM 0 HA2 GLY A 10 22.814 12.274 -7.815 1.00 0.00 H new ATOM 0 HA3 GLY A 10 24.406 11.639 -7.450 1.00 0.00 H new ATOM 135 N GLN A 11 22.629 12.553 -4.897 1.00 0.00 N ATOM 136 CA GLN A 11 22.101 12.075 -3.645 1.00 0.00 C ATOM 137 C GLN A 11 20.610 12.283 -3.570 1.00 0.00 C ATOM 138 O GLN A 11 20.081 13.257 -4.116 1.00 0.00 O ATOM 139 CB GLN A 11 22.742 12.762 -2.453 1.00 0.00 C ATOM 140 CG GLN A 11 22.621 14.263 -2.482 1.00 0.00 C ATOM 141 CD GLN A 11 22.755 14.922 -1.123 1.00 0.00 C ATOM 142 OE1 GLN A 11 23.246 16.037 -1.020 1.00 0.00 O ATOM 143 NE2 GLN A 11 22.249 14.286 -0.096 1.00 0.00 N ATOM 0 H GLN A 11 22.612 13.566 -5.018 1.00 0.00 H new ATOM 0 HA GLN A 11 22.332 11.011 -3.606 1.00 0.00 H new ATOM 0 HB2 GLN A 11 22.283 12.387 -1.538 1.00 0.00 H new ATOM 0 HB3 GLN A 11 23.797 12.492 -2.414 1.00 0.00 H new ATOM 0 HG2 GLN A 11 23.386 14.666 -3.146 1.00 0.00 H new ATOM 0 HG3 GLN A 11 21.655 14.531 -2.910 1.00 0.00 H new ATOM 0 HE21 GLN A 11 21.847 13.357 -0.219 1.00 0.00 H new ATOM 0 HE22 GLN A 11 22.256 14.720 0.827 1.00 0.00 H new ATOM 152 N ALA A 12 19.952 11.378 -2.895 1.00 0.00 N ATOM 153 CA ALA A 12 18.545 11.449 -2.621 1.00 0.00 C ATOM 154 C ALA A 12 18.418 11.737 -1.146 1.00 0.00 C ATOM 155 O ALA A 12 19.017 11.037 -0.326 1.00 0.00 O ATOM 156 CB ALA A 12 17.873 10.138 -2.961 1.00 0.00 C ATOM 0 H ALA A 12 20.397 10.545 -2.509 1.00 0.00 H new ATOM 0 HA ALA A 12 18.064 12.222 -3.220 1.00 0.00 H new ATOM 0 HB1 ALA A 12 16.807 10.210 -2.747 1.00 0.00 H new ATOM 0 HB2 ALA A 12 18.017 9.919 -4.019 1.00 0.00 H new ATOM 0 HB3 ALA A 12 18.310 9.339 -2.362 1.00 0.00 H new ATOM 162 N TRP A 13 17.705 12.760 -0.815 1.00 0.00 N ATOM 163 CA TRP A 13 17.634 13.248 0.539 1.00 0.00 C ATOM 164 C TRP A 13 16.299 13.855 0.829 1.00 0.00 C ATOM 165 O TRP A 13 15.872 14.760 0.139 1.00 0.00 O ATOM 166 CB TRP A 13 18.795 14.264 0.836 1.00 0.00 C ATOM 167 CG TRP A 13 18.996 15.377 -0.184 1.00 0.00 C ATOM 168 CD1 TRP A 13 18.982 15.246 -1.529 1.00 0.00 C ATOM 169 CD2 TRP A 13 19.312 16.760 0.061 1.00 0.00 C ATOM 170 NE1 TRP A 13 19.230 16.421 -2.131 1.00 0.00 N ATOM 171 CE2 TRP A 13 19.439 17.375 -1.192 1.00 0.00 C ATOM 172 CE3 TRP A 13 19.482 17.537 1.199 1.00 0.00 C ATOM 173 CZ2 TRP A 13 19.737 18.724 -1.344 1.00 0.00 C ATOM 174 CZ3 TRP A 13 19.778 18.880 1.050 1.00 0.00 C ATOM 175 CH2 TRP A 13 19.899 19.458 -0.214 1.00 0.00 C ATOM 0 H TRP A 13 17.144 13.294 -1.479 1.00 0.00 H new ATOM 0 HA TRP A 13 17.759 12.394 1.205 1.00 0.00 H new ATOM 0 HB2 TRP A 13 18.610 14.721 1.808 1.00 0.00 H new ATOM 0 HB3 TRP A 13 19.726 13.704 0.919 1.00 0.00 H new ATOM 0 HD1 TRP A 13 18.796 14.319 -2.051 1.00 0.00 H new ATOM 0 HE1 TRP A 13 19.257 16.572 -3.139 1.00 0.00 H new ATOM 0 HE3 TRP A 13 19.385 17.101 2.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 19.836 19.170 -2.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 19.918 19.492 1.928 1.00 0.00 H new ATOM 0 HH2 TRP A 13 20.126 20.511 -0.295 1.00 0.00 H new ATOM 186 N ARG A 14 15.634 13.299 1.807 1.00 0.00 N ATOM 187 CA ARG A 14 14.386 13.795 2.344 1.00 0.00 C ATOM 188 C ARG A 14 13.921 12.808 3.405 1.00 0.00 C ATOM 189 O ARG A 14 14.691 12.486 4.295 1.00 0.00 O ATOM 190 CB ARG A 14 13.297 14.056 1.292 1.00 0.00 C ATOM 191 CG ARG A 14 12.173 14.968 1.775 1.00 0.00 C ATOM 192 CD ARG A 14 11.097 15.177 0.720 1.00 0.00 C ATOM 193 NE ARG A 14 11.548 15.944 -0.444 1.00 0.00 N ATOM 194 CZ ARG A 14 10.715 16.615 -1.295 1.00 0.00 C ATOM 195 NH1 ARG A 14 9.396 16.542 -1.149 1.00 0.00 N ATOM 196 NH2 ARG A 14 11.223 17.332 -2.285 1.00 0.00 N ATOM 0 H ARG A 14 15.958 12.452 2.274 1.00 0.00 H new ATOM 0 HA ARG A 14 14.568 14.780 2.774 1.00 0.00 H new ATOM 0 HB2 ARG A 14 13.758 14.500 0.410 1.00 0.00 H new ATOM 0 HB3 ARG A 14 12.869 13.102 0.982 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.721 14.540 2.670 1.00 0.00 H new ATOM 0 HG3 ARG A 14 12.590 15.934 2.060 1.00 0.00 H new ATOM 0 HD2 ARG A 14 10.737 14.204 0.385 1.00 0.00 H new ATOM 0 HD3 ARG A 14 10.250 15.691 1.175 1.00 0.00 H new ATOM 0 HE ARG A 14 12.550 15.980 -0.632 1.00 0.00 H new ATOM 0 HH11 ARG A 14 8.996 15.981 -0.396 1.00 0.00 H new ATOM 0 HH12 ARG A 14 8.783 17.047 -1.790 1.00 0.00 H new ATOM 0 HH21 ARG A 14 12.234 17.383 -2.411 1.00 0.00 H new ATOM 0 HH22 ARG A 14 10.604 17.834 -2.921 1.00 0.00 H new ATOM 210 N HIS A 15 12.706 12.278 3.307 1.00 0.00 N ATOM 211 CA HIS A 15 12.163 11.476 4.389 1.00 0.00 C ATOM 212 C HIS A 15 11.260 10.379 3.873 1.00 0.00 C ATOM 213 O HIS A 15 10.669 10.491 2.794 1.00 0.00 O ATOM 214 CB HIS A 15 11.285 12.363 5.341 1.00 0.00 C ATOM 215 CG HIS A 15 11.995 13.341 6.245 1.00 0.00 C ATOM 216 ND1 HIS A 15 12.861 14.332 5.970 1.00 0.00 N flip ATOM 217 CD2 HIS A 15 11.756 13.421 7.600 1.00 0.00 C flip ATOM 218 CE1 HIS A 15 13.123 14.984 7.145 1.00 0.00 C flip ATOM 219 NE2 HIS A 15 12.447 14.419 8.106 1.00 0.00 N flip ATOM 0 H HIS A 15 12.090 12.388 2.502 1.00 0.00 H new ATOM 0 HA HIS A 15 13.018 11.048 4.913 1.00 0.00 H new ATOM 0 HB2 HIS A 15 10.585 12.925 4.723 1.00 0.00 H new ATOM 0 HB3 HIS A 15 10.693 11.697 5.968 1.00 0.00 H new ATOM 0 HD2 HIS A 15 11.103 12.767 8.159 1.00 0.00 H new ATOM 0 HE1 HIS A 15 13.784 15.831 7.258 1.00 0.00 H new ATOM 0 HE2 HIS A 15 12.453 14.703 9.086 1.00 0.00 H new ATOM 228 N HIS A 16 11.140 9.342 4.658 1.00 0.00 N ATOM 229 CA HIS A 16 10.071 8.392 4.494 1.00 0.00 C ATOM 230 C HIS A 16 9.080 8.971 5.445 1.00 0.00 C ATOM 231 O HIS A 16 9.351 9.058 6.641 1.00 0.00 O ATOM 232 CB HIS A 16 10.496 6.917 4.804 1.00 0.00 C ATOM 233 CG HIS A 16 11.081 6.617 6.165 1.00 0.00 C ATOM 234 ND1 HIS A 16 10.482 6.275 7.327 1.00 0.00 N flip ATOM 235 CD2 HIS A 16 12.435 6.569 6.405 1.00 0.00 C flip ATOM 236 CE1 HIS A 16 11.475 6.022 8.239 1.00 0.00 C flip ATOM 237 NE2 HIS A 16 12.648 6.206 7.663 1.00 0.00 N flip ATOM 0 H HIS A 16 11.777 9.132 5.426 1.00 0.00 H new ATOM 0 HA HIS A 16 9.697 8.278 3.477 1.00 0.00 H new ATOM 0 HB2 HIS A 16 9.620 6.282 4.670 1.00 0.00 H new ATOM 0 HB3 HIS A 16 11.226 6.615 4.053 1.00 0.00 H new ATOM 0 HD2 HIS A 16 13.205 6.792 5.681 1.00 0.00 H new ATOM 0 HE1 HIS A 16 11.321 5.720 9.265 1.00 0.00 H new ATOM 0 HE2 HIS A 16 13.559 6.090 8.107 1.00 0.00 H new ATOM 246 N ASN A 17 7.982 9.423 4.967 1.00 0.00 N ATOM 247 CA ASN A 17 7.336 10.467 5.687 1.00 0.00 C ATOM 248 C ASN A 17 5.839 10.400 5.841 1.00 0.00 C ATOM 249 O ASN A 17 5.083 10.552 4.883 1.00 0.00 O ATOM 250 CB ASN A 17 7.812 11.733 4.969 1.00 0.00 C ATOM 251 CG ASN A 17 7.116 12.994 5.283 1.00 0.00 C ATOM 252 OD1 ASN A 17 7.395 13.642 6.283 1.00 0.00 O ATOM 253 ND2 ASN A 17 6.297 13.416 4.382 1.00 0.00 N ATOM 0 H ASN A 17 7.521 9.106 4.114 1.00 0.00 H new ATOM 0 HA ASN A 17 7.612 10.408 6.740 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.870 11.868 5.191 1.00 0.00 H new ATOM 0 HB3 ASN A 17 7.731 11.562 3.896 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.850 14.327 4.486 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.096 12.839 3.565 1.00 0.00 H new ATOM 260 N GLY A 18 5.450 10.200 7.090 1.00 0.00 N ATOM 261 CA GLY A 18 4.071 10.247 7.551 1.00 0.00 C ATOM 262 C GLY A 18 3.031 9.618 6.645 1.00 0.00 C ATOM 263 O GLY A 18 3.268 8.582 6.021 1.00 0.00 O ATOM 0 H GLY A 18 6.111 9.993 7.839 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.019 9.755 8.522 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.800 11.291 7.708 1.00 0.00 H new ATOM 267 N PHE A 19 1.895 10.293 6.571 1.00 0.00 N ATOM 268 CA PHE A 19 0.704 9.861 5.850 1.00 0.00 C ATOM 269 C PHE A 19 0.137 11.104 5.211 1.00 0.00 C ATOM 270 O PHE A 19 -0.092 12.097 5.924 1.00 0.00 O ATOM 271 CB PHE A 19 -0.345 9.355 6.864 1.00 0.00 C ATOM 272 CG PHE A 19 0.191 8.393 7.882 1.00 0.00 C ATOM 273 CD1 PHE A 19 0.692 7.181 7.497 1.00 0.00 C ATOM 274 CD2 PHE A 19 0.205 8.724 9.228 1.00 0.00 C ATOM 275 CE1 PHE A 19 1.207 6.302 8.425 1.00 0.00 C ATOM 276 CE2 PHE A 19 0.709 7.855 10.160 1.00 0.00 C ATOM 277 CZ PHE A 19 1.215 6.640 9.759 1.00 0.00 C ATOM 0 H PHE A 19 1.771 11.195 7.030 1.00 0.00 H new ATOM 0 HA PHE A 19 0.940 9.077 5.130 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.774 10.212 7.383 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.157 8.873 6.319 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.684 6.909 6.452 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.186 9.679 9.546 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.604 5.349 8.106 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.709 8.123 11.206 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.617 5.953 10.489 1.00 0.00 H new ATOM 287 N ASP A 20 -0.077 11.123 3.917 1.00 0.00 N ATOM 288 CA ASP A 20 -0.584 12.338 3.285 1.00 0.00 C ATOM 289 C ASP A 20 -2.064 12.483 3.568 1.00 0.00 C ATOM 290 O ASP A 20 -2.861 11.622 3.169 1.00 0.00 O ATOM 291 CB ASP A 20 -0.370 12.300 1.785 1.00 0.00 C ATOM 292 CG ASP A 20 -0.627 13.647 1.158 1.00 0.00 C ATOM 293 OD1 ASP A 20 -1.783 14.040 0.998 1.00 0.00 O ATOM 294 OD2 ASP A 20 0.345 14.347 0.831 1.00 0.00 O ATOM 0 H ASP A 20 0.084 10.338 3.286 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.038 13.187 3.697 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.651 11.986 1.570 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.033 11.558 1.340 1.00 0.00 H new ATOM 299 N PHE A 21 -2.446 13.556 4.236 1.00 0.00 N ATOM 300 CA PHE A 21 -3.826 13.709 4.630 1.00 0.00 C ATOM 301 C PHE A 21 -4.756 13.950 3.455 1.00 0.00 C ATOM 302 O PHE A 21 -5.822 13.387 3.430 1.00 0.00 O ATOM 303 CB PHE A 21 -4.039 14.767 5.702 1.00 0.00 C ATOM 304 CG PHE A 21 -5.425 14.697 6.272 1.00 0.00 C ATOM 305 CD1 PHE A 21 -5.820 13.587 6.999 1.00 0.00 C ATOM 306 CD2 PHE A 21 -6.342 15.706 6.045 1.00 0.00 C ATOM 307 CE1 PHE A 21 -7.104 13.493 7.497 1.00 0.00 C ATOM 308 CE2 PHE A 21 -7.628 15.616 6.535 1.00 0.00 C ATOM 309 CZ PHE A 21 -8.010 14.511 7.263 1.00 0.00 C ATOM 0 H PHE A 21 -1.829 14.320 4.511 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.088 12.747 5.070 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.309 14.631 6.500 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.868 15.756 5.278 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.117 12.787 7.178 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -6.048 16.576 5.477 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -7.400 12.626 8.068 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -8.335 16.411 6.348 1.00 0.00 H new ATOM 0 HZ PHE A 21 -9.016 14.440 7.650 1.00 0.00 H new ATOM 319 N ALA A 22 -4.349 14.782 2.499 1.00 0.00 N ATOM 320 CA ALA A 22 -5.165 15.066 1.316 1.00 0.00 C ATOM 321 C ALA A 22 -5.521 13.775 0.595 1.00 0.00 C ATOM 322 O ALA A 22 -6.662 13.588 0.163 1.00 0.00 O ATOM 323 CB ALA A 22 -4.449 16.023 0.372 1.00 0.00 C ATOM 0 H ALA A 22 -3.456 15.274 2.519 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.085 15.547 1.648 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.078 16.216 -0.497 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.247 16.961 0.889 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.508 15.578 0.047 1.00 0.00 H new ATOM 329 N VAL A 23 -4.551 12.885 0.510 1.00 0.00 N ATOM 330 CA VAL A 23 -4.745 11.575 -0.089 1.00 0.00 C ATOM 331 C VAL A 23 -5.773 10.758 0.713 1.00 0.00 C ATOM 332 O VAL A 23 -6.768 10.272 0.150 1.00 0.00 O ATOM 333 CB VAL A 23 -3.394 10.803 -0.191 1.00 0.00 C ATOM 334 CG1 VAL A 23 -3.603 9.370 -0.621 1.00 0.00 C ATOM 335 CG2 VAL A 23 -2.465 11.494 -1.174 1.00 0.00 C ATOM 0 H VAL A 23 -3.605 13.048 0.854 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.131 11.720 -1.098 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.944 10.801 0.802 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.639 8.864 -0.681 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.236 8.861 0.106 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.085 9.350 -1.599 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.526 10.944 -1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.933 11.523 -2.158 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.269 12.511 -0.835 1.00 0.00 H new ATOM 345 N ILE A 24 -5.517 10.610 2.019 1.00 0.00 N ATOM 346 CA ILE A 24 -6.438 9.882 2.926 1.00 0.00 C ATOM 347 C ILE A 24 -7.856 10.434 2.772 1.00 0.00 C ATOM 348 O ILE A 24 -8.794 9.706 2.504 1.00 0.00 O ATOM 349 CB ILE A 24 -6.029 10.036 4.439 1.00 0.00 C ATOM 350 CG1 ILE A 24 -4.611 9.495 4.715 1.00 0.00 C ATOM 351 CG2 ILE A 24 -7.041 9.345 5.366 1.00 0.00 C ATOM 352 CD1 ILE A 24 -4.444 8.012 4.470 1.00 0.00 C ATOM 0 H ILE A 24 -4.685 10.980 2.478 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.386 8.829 2.650 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.030 11.105 4.651 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.902 10.036 4.088 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.349 9.710 5.751 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.729 9.470 6.403 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.026 9.791 5.227 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -7.087 8.283 5.127 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.417 7.720 4.689 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.125 7.458 5.116 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.670 7.788 3.428 1.00 0.00 H new ATOM 364 N LYS A 25 -7.944 11.734 2.884 1.00 0.00 N ATOM 365 CA LYS A 25 -9.159 12.517 2.799 1.00 0.00 C ATOM 366 C LYS A 25 -9.926 12.248 1.494 1.00 0.00 C ATOM 367 O LYS A 25 -11.119 11.947 1.511 1.00 0.00 O ATOM 368 CB LYS A 25 -8.730 13.978 2.862 1.00 0.00 C ATOM 369 CG LYS A 25 -9.811 15.017 2.800 1.00 0.00 C ATOM 370 CD LYS A 25 -9.177 16.382 2.592 1.00 0.00 C ATOM 371 CE LYS A 25 -8.811 16.624 1.122 1.00 0.00 C ATOM 372 NZ LYS A 25 -10.010 16.688 0.244 1.00 0.00 N ATOM 0 H LYS A 25 -7.121 12.314 3.047 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.835 12.253 3.613 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.173 14.126 3.787 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.038 14.162 2.040 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.500 14.794 1.985 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.393 15.009 3.721 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.866 17.157 2.927 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.281 16.464 3.208 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.252 17.556 1.038 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.154 15.826 0.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.762 17.160 -0.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.346 15.724 0.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.762 17.225 0.722 1.00 0.00 H new ATOM 386 N GLU A 26 -9.238 12.341 0.376 1.00 0.00 N ATOM 387 CA GLU A 26 -9.872 12.197 -0.914 1.00 0.00 C ATOM 388 C GLU A 26 -10.320 10.759 -1.157 1.00 0.00 C ATOM 389 O GLU A 26 -11.469 10.521 -1.570 1.00 0.00 O ATOM 390 CB GLU A 26 -8.949 12.703 -2.021 1.00 0.00 C ATOM 391 CG GLU A 26 -9.583 12.747 -3.401 1.00 0.00 C ATOM 392 CD GLU A 26 -8.705 13.454 -4.392 1.00 0.00 C ATOM 393 OE1 GLU A 26 -8.836 14.689 -4.528 1.00 0.00 O ATOM 394 OE2 GLU A 26 -7.871 12.798 -5.051 1.00 0.00 O ATOM 0 H GLU A 26 -8.234 12.517 0.336 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.772 12.812 -0.925 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.606 13.704 -1.761 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.067 12.064 -2.061 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.776 11.731 -3.745 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.547 13.253 -3.343 1.00 0.00 H new ATOM 401 N LEU A 27 -9.451 9.802 -0.870 1.00 0.00 N ATOM 402 CA LEU A 27 -9.818 8.408 -1.071 1.00 0.00 C ATOM 403 C LEU A 27 -10.933 8.009 -0.074 1.00 0.00 C ATOM 404 O LEU A 27 -11.769 7.179 -0.385 1.00 0.00 O ATOM 405 CB LEU A 27 -8.591 7.457 -1.009 1.00 0.00 C ATOM 406 CG LEU A 27 -8.832 6.011 -1.475 1.00 0.00 C ATOM 407 CD1 LEU A 27 -9.421 5.987 -2.854 1.00 0.00 C ATOM 408 CD2 LEU A 27 -7.529 5.224 -1.446 1.00 0.00 C ATOM 0 H LEU A 27 -8.511 9.957 -0.507 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.213 8.300 -2.081 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.794 7.885 -1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.229 7.431 0.019 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.541 5.545 -0.791 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.583 4.954 -3.163 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.373 6.519 -2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.736 6.471 -3.551 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.714 4.202 -1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.804 5.696 -2.109 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.135 5.210 -0.430 1.00 0.00 H new ATOM 420 N LYS A 28 -10.959 8.663 1.093 1.00 0.00 N ATOM 421 CA LYS A 28 -12.009 8.444 2.100 1.00 0.00 C ATOM 422 C LYS A 28 -13.359 8.975 1.604 1.00 0.00 C ATOM 423 O LYS A 28 -14.435 8.410 1.914 1.00 0.00 O ATOM 424 CB LYS A 28 -11.663 9.121 3.439 1.00 0.00 C ATOM 425 CG LYS A 28 -12.686 8.846 4.535 1.00 0.00 C ATOM 426 CD LYS A 28 -12.385 9.597 5.815 1.00 0.00 C ATOM 427 CE LYS A 28 -13.473 9.327 6.844 1.00 0.00 C ATOM 428 NZ LYS A 28 -13.246 10.034 8.120 1.00 0.00 N ATOM 0 H LYS A 28 -10.260 9.354 1.367 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.076 7.368 2.259 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.684 8.776 3.771 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.586 10.197 3.285 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.678 9.125 4.179 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.711 7.776 4.743 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.416 9.289 6.208 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.321 10.666 5.613 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -14.437 9.629 6.434 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.529 8.255 7.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.017 9.813 8.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.340 9.729 8.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.220 11.059 7.949 1.00 0.00 H new ATOM 442 N THR A 29 -13.315 10.033 0.810 1.00 0.00 N ATOM 443 CA THR A 29 -14.513 10.606 0.263 1.00 0.00 C ATOM 444 C THR A 29 -15.114 9.616 -0.748 1.00 0.00 C ATOM 445 O THR A 29 -16.311 9.305 -0.701 1.00 0.00 O ATOM 446 CB THR A 29 -14.225 11.981 -0.393 1.00 0.00 C ATOM 447 OG1 THR A 29 -13.512 12.824 0.552 1.00 0.00 O ATOM 448 CG2 THR A 29 -15.532 12.677 -0.765 1.00 0.00 C ATOM 0 H THR A 29 -12.454 10.507 0.535 1.00 0.00 H new ATOM 0 HA THR A 29 -15.232 10.784 1.063 1.00 0.00 H new ATOM 0 HB THR A 29 -13.628 11.820 -1.291 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.632 12.434 0.739 1.00 0.00 H new ATOM 0 HG21 THR A 29 -15.313 13.641 -1.224 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.087 12.057 -1.469 1.00 0.00 H new ATOM 0 HG23 THR A 29 -16.131 12.831 0.133 1.00 0.00 H new ATOM 456 N ALA A 30 -14.256 9.063 -1.604 1.00 0.00 N ATOM 457 CA ALA A 30 -14.664 8.075 -2.556 1.00 0.00 C ATOM 458 C ALA A 30 -15.092 6.802 -1.844 1.00 0.00 C ATOM 459 O ALA A 30 -15.957 6.102 -2.281 1.00 0.00 O ATOM 460 CB ALA A 30 -13.515 7.795 -3.524 1.00 0.00 C ATOM 0 H ALA A 30 -13.264 9.298 -1.644 1.00 0.00 H new ATOM 0 HA ALA A 30 -15.518 8.449 -3.121 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.825 7.043 -4.249 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.247 8.714 -4.046 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.652 7.429 -2.968 1.00 0.00 H new ATOM 466 N ALA A 31 -14.444 6.492 -0.764 1.00 0.00 N ATOM 467 CA ALA A 31 -14.807 5.351 0.057 1.00 0.00 C ATOM 468 C ALA A 31 -16.265 5.426 0.515 1.00 0.00 C ATOM 469 O ALA A 31 -17.025 4.484 0.339 1.00 0.00 O ATOM 470 CB ALA A 31 -13.934 5.314 1.262 1.00 0.00 C ATOM 0 H ALA A 31 -13.643 7.018 -0.415 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.678 4.452 -0.546 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.204 4.458 1.881 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.892 5.225 0.954 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.066 6.232 1.835 1.00 0.00 H new ATOM 476 N SER A 32 -16.640 6.568 1.043 1.00 0.00 N ATOM 477 CA SER A 32 -17.943 6.754 1.638 1.00 0.00 C ATOM 478 C SER A 32 -19.048 6.880 0.575 1.00 0.00 C ATOM 479 O SER A 32 -20.149 6.338 0.741 1.00 0.00 O ATOM 480 CB SER A 32 -17.901 7.992 2.538 1.00 0.00 C ATOM 481 OG SER A 32 -16.852 7.879 3.503 1.00 0.00 O ATOM 0 H SER A 32 -16.047 7.398 1.072 1.00 0.00 H new ATOM 0 HA SER A 32 -18.187 5.874 2.233 1.00 0.00 H new ATOM 0 HB2 SER A 32 -17.749 8.884 1.931 1.00 0.00 H new ATOM 0 HB3 SER A 32 -18.858 8.111 3.046 1.00 0.00 H new ATOM 0 HG SER A 32 -15.989 8.039 3.068 1.00 0.00 H new ATOM 487 N GLN A 33 -18.724 7.548 -0.521 1.00 0.00 N ATOM 488 CA GLN A 33 -19.675 7.846 -1.591 1.00 0.00 C ATOM 489 C GLN A 33 -19.691 6.774 -2.679 1.00 0.00 C ATOM 490 O GLN A 33 -20.743 6.259 -3.060 1.00 0.00 O ATOM 491 CB GLN A 33 -19.255 9.154 -2.245 1.00 0.00 C ATOM 492 CG GLN A 33 -19.328 10.347 -1.377 1.00 0.00 C ATOM 493 CD GLN A 33 -20.727 10.830 -1.240 1.00 0.00 C ATOM 494 OE1 GLN A 33 -21.469 10.436 -0.344 1.00 0.00 O ATOM 495 NE2 GLN A 33 -21.115 11.649 -2.143 1.00 0.00 N ATOM 0 H GLN A 33 -17.785 7.904 -0.699 1.00 0.00 H new ATOM 0 HA GLN A 33 -20.669 7.896 -1.146 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -18.231 9.049 -2.604 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -19.884 9.322 -3.119 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -18.925 10.108 -0.393 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -18.706 11.140 -1.792 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -20.467 11.951 -2.870 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -22.073 12.000 -2.136 1.00 0.00 H new ATOM 504 N TYR A 34 -18.518 6.436 -3.138 1.00 0.00 N ATOM 505 CA TYR A 34 -18.314 5.612 -4.330 1.00 0.00 C ATOM 506 C TYR A 34 -18.267 4.133 -4.042 1.00 0.00 C ATOM 507 O TYR A 34 -18.864 3.347 -4.768 1.00 0.00 O ATOM 508 CB TYR A 34 -17.040 6.102 -5.074 1.00 0.00 C ATOM 509 CG TYR A 34 -17.283 7.308 -5.929 1.00 0.00 C ATOM 510 CD1 TYR A 34 -17.673 8.498 -5.363 1.00 0.00 C ATOM 511 CD2 TYR A 34 -17.139 7.249 -7.299 1.00 0.00 C ATOM 512 CE1 TYR A 34 -17.922 9.612 -6.121 1.00 0.00 C ATOM 513 CE2 TYR A 34 -17.374 8.350 -8.081 1.00 0.00 C ATOM 514 CZ TYR A 34 -17.769 9.534 -7.496 1.00 0.00 C ATOM 515 OH TYR A 34 -18.023 10.629 -8.294 1.00 0.00 O ATOM 0 H TYR A 34 -17.647 6.725 -2.693 1.00 0.00 H new ATOM 0 HA TYR A 34 -19.184 5.738 -4.975 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -16.266 6.333 -4.342 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -16.658 5.294 -5.697 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -17.786 8.557 -4.291 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -16.837 6.322 -7.763 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -18.232 10.535 -5.655 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -17.250 8.290 -9.152 1.00 0.00 H new ATOM 0 HH TYR A 34 -17.863 10.394 -9.232 1.00 0.00 H new ATOM 525 N GLY A 35 -17.620 3.765 -2.944 1.00 0.00 N ATOM 526 CA GLY A 35 -17.477 2.338 -2.645 1.00 0.00 C ATOM 527 C GLY A 35 -16.345 1.743 -3.451 1.00 0.00 C ATOM 528 O GLY A 35 -16.067 2.203 -4.570 1.00 0.00 O ATOM 0 H GLY A 35 -17.200 4.402 -2.267 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -17.286 2.200 -1.581 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -18.407 1.817 -2.872 1.00 0.00 H new ATOM 532 N ALA A 36 -15.724 0.707 -2.967 1.00 0.00 N ATOM 533 CA ALA A 36 -14.549 0.212 -3.625 1.00 0.00 C ATOM 534 C ALA A 36 -14.912 -0.808 -4.709 1.00 0.00 C ATOM 535 O ALA A 36 -15.047 -1.986 -4.446 1.00 0.00 O ATOM 536 CB ALA A 36 -13.544 -0.315 -2.641 1.00 0.00 C ATOM 0 H ALA A 36 -16.005 0.194 -2.131 1.00 0.00 H new ATOM 0 HA ALA A 36 -14.067 1.049 -4.131 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.668 -0.681 -3.176 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -13.247 0.484 -1.962 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -13.987 -1.131 -2.070 1.00 0.00 H new ATOM 542 N THR A 37 -15.011 -0.313 -5.921 1.00 0.00 N ATOM 543 CA THR A 37 -15.472 -1.015 -7.132 1.00 0.00 C ATOM 544 C THR A 37 -15.682 0.044 -8.210 1.00 0.00 C ATOM 545 O THR A 37 -15.376 -0.174 -9.384 1.00 0.00 O ATOM 546 CB THR A 37 -16.778 -1.879 -6.903 1.00 0.00 C ATOM 547 OG1 THR A 37 -16.447 -3.112 -6.230 1.00 0.00 O ATOM 548 CG2 THR A 37 -17.546 -2.181 -8.191 1.00 0.00 C ATOM 0 H THR A 37 -14.758 0.655 -6.117 1.00 0.00 H new ATOM 0 HA THR A 37 -14.717 -1.741 -7.434 1.00 0.00 H new ATOM 0 HB THR A 37 -17.438 -1.275 -6.281 1.00 0.00 H new ATOM 0 HG1 THR A 37 -16.191 -2.921 -5.304 1.00 0.00 H new ATOM 0 HG21 THR A 37 -18.429 -2.776 -7.957 1.00 0.00 H new ATOM 0 HG22 THR A 37 -17.853 -1.246 -8.659 1.00 0.00 H new ATOM 0 HG23 THR A 37 -16.905 -2.736 -8.875 1.00 0.00 H new ATOM 556 N ALA A 38 -16.130 1.222 -7.775 1.00 0.00 N ATOM 557 CA ALA A 38 -16.289 2.355 -8.671 1.00 0.00 C ATOM 558 C ALA A 38 -14.917 2.776 -9.214 1.00 0.00 C ATOM 559 O ALA A 38 -13.984 2.982 -8.432 1.00 0.00 O ATOM 560 CB ALA A 38 -16.953 3.516 -7.945 1.00 0.00 C ATOM 0 H ALA A 38 -16.388 1.411 -6.806 1.00 0.00 H new ATOM 0 HA ALA A 38 -16.928 2.065 -9.505 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -17.065 4.357 -8.629 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -17.935 3.207 -7.586 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -16.335 3.817 -7.099 1.00 0.00 H new ATOM 566 N PRO A 39 -14.790 2.887 -10.558 1.00 0.00 N ATOM 567 CA PRO A 39 -13.529 3.199 -11.274 1.00 0.00 C ATOM 568 C PRO A 39 -12.659 4.293 -10.632 1.00 0.00 C ATOM 569 O PRO A 39 -11.419 4.222 -10.685 1.00 0.00 O ATOM 570 CB PRO A 39 -14.031 3.661 -12.638 1.00 0.00 C ATOM 571 CG PRO A 39 -15.246 2.838 -12.858 1.00 0.00 C ATOM 572 CD PRO A 39 -15.905 2.692 -11.519 1.00 0.00 C ATOM 0 HA PRO A 39 -12.868 2.333 -11.280 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -14.262 4.726 -12.641 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -13.287 3.494 -13.417 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -15.917 3.318 -13.571 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -14.986 1.864 -13.271 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -16.691 3.433 -11.376 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.366 1.711 -11.404 1.00 0.00 H new ATOM 580 N TYR A 40 -13.297 5.281 -10.041 1.00 0.00 N ATOM 581 CA TYR A 40 -12.618 6.392 -9.398 1.00 0.00 C ATOM 582 C TYR A 40 -11.724 5.914 -8.241 1.00 0.00 C ATOM 583 O TYR A 40 -10.497 5.981 -8.340 1.00 0.00 O ATOM 584 CB TYR A 40 -13.659 7.431 -8.908 1.00 0.00 C ATOM 585 CG TYR A 40 -13.099 8.702 -8.278 1.00 0.00 C ATOM 586 CD1 TYR A 40 -12.353 9.600 -9.020 1.00 0.00 C ATOM 587 CD2 TYR A 40 -13.347 9.016 -6.950 1.00 0.00 C ATOM 588 CE1 TYR A 40 -11.861 10.761 -8.466 1.00 0.00 C ATOM 589 CE2 TYR A 40 -12.859 10.180 -6.384 1.00 0.00 C ATOM 590 CZ TYR A 40 -12.115 11.050 -7.149 1.00 0.00 C ATOM 591 OH TYR A 40 -11.616 12.211 -6.591 1.00 0.00 O ATOM 0 H TYR A 40 -14.314 5.338 -9.992 1.00 0.00 H new ATOM 0 HA TYR A 40 -11.965 6.867 -10.130 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -14.284 7.715 -9.755 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -14.310 6.946 -8.180 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -12.151 9.385 -10.059 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -13.932 8.339 -6.346 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -11.277 11.442 -9.067 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -13.061 10.405 -5.347 1.00 0.00 H new ATOM 0 HH TYR A 40 -11.888 12.265 -5.651 1.00 0.00 H new ATOM 601 N THR A 41 -12.341 5.409 -7.167 1.00 0.00 N ATOM 602 CA THR A 41 -11.644 5.015 -5.947 1.00 0.00 C ATOM 603 C THR A 41 -10.450 4.065 -6.174 1.00 0.00 C ATOM 604 O THR A 41 -9.360 4.348 -5.709 1.00 0.00 O ATOM 605 CB THR A 41 -12.639 4.463 -4.873 1.00 0.00 C ATOM 606 OG1 THR A 41 -11.967 4.140 -3.663 1.00 0.00 O ATOM 607 CG2 THR A 41 -13.359 3.243 -5.366 1.00 0.00 C ATOM 0 H THR A 41 -13.350 5.262 -7.124 1.00 0.00 H new ATOM 0 HA THR A 41 -11.199 5.931 -5.558 1.00 0.00 H new ATOM 0 HB THR A 41 -13.363 5.255 -4.684 1.00 0.00 H new ATOM 0 HG1 THR A 41 -12.614 3.799 -3.010 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.042 2.887 -4.594 1.00 0.00 H new ATOM 0 HG22 THR A 41 -13.924 3.492 -6.264 1.00 0.00 H new ATOM 0 HG23 THR A 41 -12.635 2.462 -5.598 1.00 0.00 H new ATOM 615 N LEU A 42 -10.614 2.998 -6.950 1.00 0.00 N ATOM 616 CA LEU A 42 -9.510 2.062 -7.115 1.00 0.00 C ATOM 617 C LEU A 42 -8.390 2.559 -7.987 1.00 0.00 C ATOM 618 O LEU A 42 -7.257 2.103 -7.850 1.00 0.00 O ATOM 619 CB LEU A 42 -9.887 0.574 -7.368 1.00 0.00 C ATOM 620 CG LEU A 42 -11.014 0.223 -8.351 1.00 0.00 C ATOM 621 CD1 LEU A 42 -12.343 0.448 -7.700 1.00 0.00 C ATOM 622 CD2 LEU A 42 -10.913 1.004 -9.655 1.00 0.00 C ATOM 0 H LEU A 42 -11.468 2.765 -7.457 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.100 2.035 -6.105 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.986 0.066 -7.713 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.150 0.138 -6.404 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.910 -0.831 -8.610 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -13.139 0.198 -8.401 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -12.427 -0.184 -6.816 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -12.433 1.494 -7.408 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.733 0.719 -10.314 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.971 2.072 -9.445 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.963 0.781 -10.140 1.00 0.00 H new ATOM 634 N ALA A 43 -8.690 3.520 -8.859 1.00 0.00 N ATOM 635 CA ALA A 43 -7.663 4.157 -9.662 1.00 0.00 C ATOM 636 C ALA A 43 -6.786 4.964 -8.742 1.00 0.00 C ATOM 637 O ALA A 43 -5.581 5.073 -8.929 1.00 0.00 O ATOM 638 CB ALA A 43 -8.264 5.041 -10.738 1.00 0.00 C ATOM 0 H ALA A 43 -9.634 3.870 -9.023 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.077 3.393 -10.173 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.465 5.501 -11.319 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.890 4.439 -11.396 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.869 5.819 -10.273 1.00 0.00 H new ATOM 644 N ILE A 44 -7.409 5.459 -7.704 1.00 0.00 N ATOM 645 CA ILE A 44 -6.736 6.204 -6.685 1.00 0.00 C ATOM 646 C ILE A 44 -5.965 5.240 -5.780 1.00 0.00 C ATOM 647 O ILE A 44 -4.820 5.483 -5.503 1.00 0.00 O ATOM 648 CB ILE A 44 -7.731 7.026 -5.858 1.00 0.00 C ATOM 649 CG1 ILE A 44 -8.559 7.913 -6.781 1.00 0.00 C ATOM 650 CG2 ILE A 44 -6.993 7.889 -4.825 1.00 0.00 C ATOM 651 CD1 ILE A 44 -9.764 8.503 -6.114 1.00 0.00 C ATOM 0 H ILE A 44 -8.411 5.352 -7.545 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.041 6.898 -7.157 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.392 6.341 -5.326 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.930 8.719 -7.158 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.880 7.329 -7.643 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.717 8.465 -4.248 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.423 7.246 -4.154 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.314 8.570 -5.338 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.308 9.123 -6.827 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.413 7.702 -5.761 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -9.449 9.114 -5.268 1.00 0.00 H new ATOM 663 N VAL A 45 -6.604 4.118 -5.372 1.00 0.00 N ATOM 664 CA VAL A 45 -5.949 3.073 -4.514 1.00 0.00 C ATOM 665 C VAL A 45 -4.573 2.689 -5.095 1.00 0.00 C ATOM 666 O VAL A 45 -3.539 2.745 -4.409 1.00 0.00 O ATOM 667 CB VAL A 45 -6.834 1.762 -4.382 1.00 0.00 C ATOM 668 CG1 VAL A 45 -6.156 0.694 -3.529 1.00 0.00 C ATOM 669 CG2 VAL A 45 -8.187 2.064 -3.789 1.00 0.00 C ATOM 0 H VAL A 45 -7.571 3.903 -5.617 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.833 3.508 -3.522 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.956 1.381 -5.396 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.799 -0.184 -3.467 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.204 0.416 -3.982 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.980 1.086 -2.527 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.765 1.143 -3.714 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.061 2.495 -2.796 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.714 2.772 -4.428 1.00 0.00 H new ATOM 679 N GLU A 46 -4.563 2.353 -6.370 1.00 0.00 N ATOM 680 CA GLU A 46 -3.340 1.978 -7.041 1.00 0.00 C ATOM 681 C GLU A 46 -2.425 3.179 -7.307 1.00 0.00 C ATOM 682 O GLU A 46 -1.215 3.024 -7.373 1.00 0.00 O ATOM 683 CB GLU A 46 -3.610 1.209 -8.327 1.00 0.00 C ATOM 684 CG GLU A 46 -4.507 1.928 -9.298 1.00 0.00 C ATOM 685 CD GLU A 46 -4.561 1.251 -10.630 1.00 0.00 C ATOM 686 OE1 GLU A 46 -3.627 1.431 -11.450 1.00 0.00 O ATOM 687 OE2 GLU A 46 -5.516 0.477 -10.870 1.00 0.00 O ATOM 0 H GLU A 46 -5.394 2.333 -6.962 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.812 1.313 -6.357 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.660 0.996 -8.816 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.061 0.249 -8.075 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.513 1.989 -8.883 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.153 2.951 -9.427 1.00 0.00 H new ATOM 694 N SER A 47 -2.997 4.371 -7.443 1.00 0.00 N ATOM 695 CA SER A 47 -2.213 5.576 -7.675 1.00 0.00 C ATOM 696 C SER A 47 -1.483 5.971 -6.388 1.00 0.00 C ATOM 697 O SER A 47 -0.371 6.485 -6.428 1.00 0.00 O ATOM 698 CB SER A 47 -3.097 6.729 -8.187 1.00 0.00 C ATOM 699 OG SER A 47 -2.325 7.848 -8.603 1.00 0.00 O ATOM 0 H SER A 47 -4.004 4.527 -7.396 1.00 0.00 H new ATOM 0 HA SER A 47 -1.475 5.368 -8.450 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.704 6.377 -9.021 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.785 7.036 -7.399 1.00 0.00 H new ATOM 0 HG SER A 47 -2.922 8.557 -8.922 1.00 0.00 H new ATOM 705 N VAL A 48 -2.101 5.696 -5.245 1.00 0.00 N ATOM 706 CA VAL A 48 -1.486 5.949 -3.960 1.00 0.00 C ATOM 707 C VAL A 48 -0.299 5.022 -3.815 1.00 0.00 C ATOM 708 O VAL A 48 0.790 5.450 -3.448 1.00 0.00 O ATOM 709 CB VAL A 48 -2.476 5.737 -2.779 1.00 0.00 C ATOM 710 CG1 VAL A 48 -1.799 6.031 -1.452 1.00 0.00 C ATOM 711 CG2 VAL A 48 -3.682 6.637 -2.930 1.00 0.00 C ATOM 0 H VAL A 48 -3.037 5.294 -5.189 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.173 6.992 -3.923 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.797 4.695 -2.796 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.509 5.877 -0.639 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.948 5.363 -1.322 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.454 7.065 -1.441 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.364 6.475 -2.095 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.360 7.678 -2.939 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.193 6.407 -3.865 1.00 0.00 H new ATOM 721 N ALA A 49 -0.492 3.765 -4.216 1.00 0.00 N ATOM 722 CA ALA A 49 0.566 2.773 -4.177 1.00 0.00 C ATOM 723 C ALA A 49 1.581 2.992 -5.291 1.00 0.00 C ATOM 724 O ALA A 49 2.614 2.352 -5.324 1.00 0.00 O ATOM 725 CB ALA A 49 -0.028 1.370 -4.228 1.00 0.00 C ATOM 0 H ALA A 49 -1.381 3.415 -4.573 1.00 0.00 H new ATOM 0 HA ALA A 49 1.104 2.883 -3.235 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.775 0.634 -4.198 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.687 1.223 -3.373 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.597 1.249 -5.150 1.00 0.00 H new ATOM 731 N ASP A 50 1.289 3.929 -6.182 1.00 0.00 N ATOM 732 CA ASP A 50 2.184 4.244 -7.292 1.00 0.00 C ATOM 733 C ASP A 50 3.269 5.179 -6.797 1.00 0.00 C ATOM 734 O ASP A 50 4.243 5.489 -7.488 1.00 0.00 O ATOM 735 CB ASP A 50 1.405 4.883 -8.452 1.00 0.00 C ATOM 736 CG ASP A 50 2.173 4.867 -9.742 1.00 0.00 C ATOM 737 OD1 ASP A 50 2.239 3.798 -10.382 1.00 0.00 O ATOM 738 OD2 ASP A 50 2.692 5.914 -10.174 1.00 0.00 O ATOM 0 H ASP A 50 0.436 4.488 -6.159 1.00 0.00 H new ATOM 0 HA ASP A 50 2.638 3.326 -7.665 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.463 4.352 -8.588 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.156 5.913 -8.194 1.00 0.00 H new ATOM 743 N ASN A 51 3.083 5.632 -5.586 1.00 0.00 N ATOM 744 CA ASN A 51 4.047 6.447 -4.896 1.00 0.00 C ATOM 745 C ASN A 51 4.843 5.530 -4.029 1.00 0.00 C ATOM 746 O ASN A 51 4.421 4.402 -3.771 1.00 0.00 O ATOM 747 CB ASN A 51 3.368 7.466 -3.962 1.00 0.00 C ATOM 748 CG ASN A 51 2.498 8.492 -4.647 1.00 0.00 C ATOM 749 OD1 ASN A 51 2.962 9.559 -5.053 1.00 0.00 O ATOM 750 ND2 ASN A 51 1.231 8.206 -4.742 1.00 0.00 N ATOM 0 H ASN A 51 2.242 5.441 -5.041 1.00 0.00 H new ATOM 0 HA ASN A 51 4.646 6.986 -5.630 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.759 6.922 -3.240 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.141 7.988 -3.398 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.587 8.876 -5.164 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.882 7.312 -4.395 1.00 0.00 H new ATOM 757 N TRP A 52 5.965 5.980 -3.570 1.00 0.00 N ATOM 758 CA TRP A 52 6.715 5.205 -2.624 1.00 0.00 C ATOM 759 C TRP A 52 5.935 5.220 -1.332 1.00 0.00 C ATOM 760 O TRP A 52 5.650 6.298 -0.778 1.00 0.00 O ATOM 761 CB TRP A 52 8.099 5.782 -2.441 1.00 0.00 C ATOM 762 CG TRP A 52 8.844 5.902 -3.721 1.00 0.00 C ATOM 763 CD1 TRP A 52 9.043 4.930 -4.646 1.00 0.00 C ATOM 764 CD2 TRP A 52 9.495 7.062 -4.205 1.00 0.00 C ATOM 765 NE1 TRP A 52 9.770 5.418 -5.694 1.00 0.00 N ATOM 766 CE2 TRP A 52 10.075 6.735 -5.442 1.00 0.00 C ATOM 767 CE3 TRP A 52 9.643 8.347 -3.708 1.00 0.00 C ATOM 768 CZ2 TRP A 52 10.800 7.666 -6.189 1.00 0.00 C ATOM 769 CZ3 TRP A 52 10.353 9.260 -4.438 1.00 0.00 C ATOM 770 CH2 TRP A 52 10.925 8.921 -5.665 1.00 0.00 C ATOM 0 H TRP A 52 6.384 6.873 -3.829 1.00 0.00 H new ATOM 0 HA TRP A 52 6.851 4.181 -2.973 1.00 0.00 H new ATOM 0 HB2 TRP A 52 8.020 6.766 -1.978 1.00 0.00 H new ATOM 0 HB3 TRP A 52 8.663 5.151 -1.755 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.679 3.916 -4.565 1.00 0.00 H new ATOM 0 HE1 TRP A 52 10.042 4.893 -6.525 1.00 0.00 H new ATOM 0 HE3 TRP A 52 9.205 8.623 -2.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 11.242 7.405 -7.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 10.473 10.263 -4.057 1.00 0.00 H new ATOM 0 HH2 TRP A 52 11.479 9.669 -6.213 1.00 0.00 H new ATOM 781 N LEU A 53 5.597 4.072 -0.841 1.00 0.00 N ATOM 782 CA LEU A 53 4.674 4.012 0.242 1.00 0.00 C ATOM 783 C LEU A 53 5.161 3.072 1.329 1.00 0.00 C ATOM 784 O LEU A 53 5.604 1.963 1.064 1.00 0.00 O ATOM 785 CB LEU A 53 3.314 3.585 -0.332 1.00 0.00 C ATOM 786 CG LEU A 53 2.061 4.184 0.306 1.00 0.00 C ATOM 787 CD1 LEU A 53 2.114 5.699 0.256 1.00 0.00 C ATOM 788 CD2 LEU A 53 0.839 3.716 -0.446 1.00 0.00 C ATOM 0 H LEU A 53 5.943 3.171 -1.170 1.00 0.00 H new ATOM 0 HA LEU A 53 4.578 4.988 0.718 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.303 3.834 -1.393 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.243 2.500 -0.258 1.00 0.00 H new ATOM 0 HG LEU A 53 2.012 3.859 1.345 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.214 6.110 0.714 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.991 6.051 0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.175 6.027 -0.782 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.054 4.143 0.009 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.906 4.038 -1.485 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.782 2.628 -0.406 1.00 0.00 H new ATOM 800 N THR A 54 5.079 3.544 2.534 1.00 0.00 N ATOM 801 CA THR A 54 5.541 2.857 3.704 1.00 0.00 C ATOM 802 C THR A 54 4.442 1.882 4.233 1.00 0.00 C ATOM 803 O THR A 54 3.266 2.178 4.111 1.00 0.00 O ATOM 804 CB THR A 54 5.838 3.956 4.739 1.00 0.00 C ATOM 805 OG1 THR A 54 6.707 4.918 4.137 1.00 0.00 O ATOM 806 CG2 THR A 54 6.485 3.414 5.984 1.00 0.00 C ATOM 0 H THR A 54 4.672 4.456 2.740 1.00 0.00 H new ATOM 0 HA THR A 54 6.425 2.253 3.497 1.00 0.00 H new ATOM 0 HB THR A 54 4.891 4.406 5.037 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.906 5.628 4.782 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.673 4.230 6.681 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.823 2.684 6.450 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.428 2.934 5.724 1.00 0.00 H new ATOM 814 N PRO A 55 4.817 0.693 4.783 1.00 0.00 N ATOM 815 CA PRO A 55 3.851 -0.273 5.375 1.00 0.00 C ATOM 816 C PRO A 55 2.866 0.367 6.389 1.00 0.00 C ATOM 817 O PRO A 55 1.681 0.036 6.408 1.00 0.00 O ATOM 818 CB PRO A 55 4.755 -1.285 6.077 1.00 0.00 C ATOM 819 CG PRO A 55 6.004 -1.282 5.271 1.00 0.00 C ATOM 820 CD PRO A 55 6.197 0.142 4.797 1.00 0.00 C ATOM 0 HA PRO A 55 3.203 -0.700 4.610 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.948 -0.997 7.110 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.300 -2.275 6.102 1.00 0.00 H new ATOM 0 HG2 PRO A 55 6.854 -1.612 5.869 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.924 -1.966 4.426 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.847 0.704 5.468 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.653 0.177 3.808 1.00 0.00 H new ATOM 828 N THR A 56 3.353 1.278 7.222 1.00 0.00 N ATOM 829 CA THR A 56 2.493 1.950 8.182 1.00 0.00 C ATOM 830 C THR A 56 1.519 2.911 7.457 1.00 0.00 C ATOM 831 O THR A 56 0.386 3.115 7.904 1.00 0.00 O ATOM 832 CB THR A 56 3.321 2.684 9.309 1.00 0.00 C ATOM 833 OG1 THR A 56 2.464 3.173 10.361 1.00 0.00 O ATOM 834 CG2 THR A 56 4.148 3.840 8.755 1.00 0.00 C ATOM 0 H THR A 56 4.331 1.565 7.251 1.00 0.00 H new ATOM 0 HA THR A 56 1.899 1.190 8.689 1.00 0.00 H new ATOM 0 HB THR A 56 4.001 1.938 9.719 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.007 3.621 11.043 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.700 4.314 9.567 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.850 3.462 8.011 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.486 4.571 8.291 1.00 0.00 H new ATOM 842 N ASP A 57 1.958 3.467 6.326 1.00 0.00 N ATOM 843 CA ASP A 57 1.121 4.359 5.488 1.00 0.00 C ATOM 844 C ASP A 57 -0.013 3.522 4.902 1.00 0.00 C ATOM 845 O ASP A 57 -1.190 3.869 5.014 1.00 0.00 O ATOM 846 CB ASP A 57 1.982 4.994 4.373 1.00 0.00 C ATOM 847 CG ASP A 57 1.338 6.172 3.646 1.00 0.00 C ATOM 848 OD1 ASP A 57 0.256 6.032 3.101 1.00 0.00 O ATOM 849 OD2 ASP A 57 1.974 7.257 3.614 1.00 0.00 O ATOM 0 H ASP A 57 2.898 3.319 5.958 1.00 0.00 H new ATOM 0 HA ASP A 57 0.704 5.172 6.082 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.924 5.328 4.809 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.225 4.224 3.640 1.00 0.00 H new ATOM 854 N TRP A 58 0.377 2.367 4.376 1.00 0.00 N ATOM 855 CA TRP A 58 -0.529 1.337 3.871 1.00 0.00 C ATOM 856 C TRP A 58 -1.642 1.023 4.885 1.00 0.00 C ATOM 857 O TRP A 58 -2.871 1.097 4.571 1.00 0.00 O ATOM 858 CB TRP A 58 0.294 0.065 3.608 1.00 0.00 C ATOM 859 CG TRP A 58 0.823 -0.079 2.222 1.00 0.00 C ATOM 860 CD1 TRP A 58 1.037 0.898 1.312 1.00 0.00 C ATOM 861 CD2 TRP A 58 1.205 -1.301 1.595 1.00 0.00 C ATOM 862 NE1 TRP A 58 1.510 0.354 0.134 1.00 0.00 N ATOM 863 CE2 TRP A 58 1.623 -0.989 0.290 1.00 0.00 C ATOM 864 CE3 TRP A 58 1.222 -2.636 2.012 1.00 0.00 C ATOM 865 CZ2 TRP A 58 2.055 -1.949 -0.594 1.00 0.00 C ATOM 866 CZ3 TRP A 58 1.655 -3.596 1.127 1.00 0.00 C ATOM 867 CH2 TRP A 58 2.061 -3.251 -0.158 1.00 0.00 C ATOM 0 H TRP A 58 1.360 2.112 4.285 1.00 0.00 H new ATOM 0 HA TRP A 58 -1.002 1.695 2.957 1.00 0.00 H new ATOM 0 HB2 TRP A 58 1.133 0.046 4.303 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -0.327 -0.802 3.834 1.00 0.00 H new ATOM 0 HD1 TRP A 58 0.863 1.950 1.482 1.00 0.00 H new ATOM 0 HE1 TRP A 58 1.737 0.875 -0.713 1.00 0.00 H new ATOM 0 HE3 TRP A 58 0.902 -2.907 3.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 2.377 -1.689 -1.592 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.680 -4.631 1.434 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.390 -4.029 -0.831 1.00 0.00 H new ATOM 878 N ASN A 59 -1.225 0.696 6.095 1.00 0.00 N ATOM 879 CA ASN A 59 -2.152 0.366 7.161 1.00 0.00 C ATOM 880 C ASN A 59 -3.115 1.507 7.419 1.00 0.00 C ATOM 881 O ASN A 59 -4.293 1.283 7.639 1.00 0.00 O ATOM 882 CB ASN A 59 -1.433 -0.060 8.453 1.00 0.00 C ATOM 883 CG ASN A 59 -0.717 -1.404 8.333 1.00 0.00 C ATOM 884 OD1 ASN A 59 -1.120 -2.280 7.557 1.00 0.00 O ATOM 885 ND2 ASN A 59 0.322 -1.596 9.108 1.00 0.00 N ATOM 0 H ASN A 59 -0.242 0.652 6.365 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.728 -0.496 6.824 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.708 0.707 8.726 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.160 -0.115 9.263 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.821 -2.485 9.081 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.632 -0.856 9.738 1.00 0.00 H new ATOM 892 N THR A 60 -2.629 2.721 7.291 1.00 0.00 N ATOM 893 CA THR A 60 -3.431 3.893 7.519 1.00 0.00 C ATOM 894 C THR A 60 -4.472 4.093 6.401 1.00 0.00 C ATOM 895 O THR A 60 -5.562 4.631 6.652 1.00 0.00 O ATOM 896 CB THR A 60 -2.528 5.135 7.671 1.00 0.00 C ATOM 897 OG1 THR A 60 -1.578 4.859 8.705 1.00 0.00 O ATOM 898 CG2 THR A 60 -3.339 6.370 8.072 1.00 0.00 C ATOM 0 H THR A 60 -1.664 2.920 7.025 1.00 0.00 H new ATOM 0 HA THR A 60 -3.983 3.751 8.448 1.00 0.00 H new ATOM 0 HB THR A 60 -2.042 5.341 6.717 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.894 4.246 8.365 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.672 7.227 8.170 1.00 0.00 H new ATOM 0 HG22 THR A 60 -4.087 6.578 7.307 1.00 0.00 H new ATOM 0 HG23 THR A 60 -3.836 6.185 9.024 1.00 0.00 H new ATOM 906 N LEU A 61 -4.173 3.602 5.195 1.00 0.00 N ATOM 907 CA LEU A 61 -5.094 3.746 4.077 1.00 0.00 C ATOM 908 C LEU A 61 -6.309 2.929 4.339 1.00 0.00 C ATOM 909 O LEU A 61 -7.365 3.465 4.518 1.00 0.00 O ATOM 910 CB LEU A 61 -4.507 3.305 2.740 1.00 0.00 C ATOM 911 CG LEU A 61 -3.265 4.019 2.238 1.00 0.00 C ATOM 912 CD1 LEU A 61 -2.857 3.473 0.885 1.00 0.00 C ATOM 913 CD2 LEU A 61 -3.485 5.519 2.160 1.00 0.00 C ATOM 0 H LEU A 61 -3.309 3.107 4.974 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.322 4.809 4.000 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.276 2.242 2.811 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.283 3.412 1.982 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.460 3.836 2.950 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.965 3.994 0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.645 2.407 0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.667 3.625 0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.577 6.001 1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.307 5.731 1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.729 5.903 3.151 1.00 0.00 H new ATOM 925 N VAL A 62 -6.133 1.617 4.440 1.00 0.00 N ATOM 926 CA VAL A 62 -7.301 0.703 4.628 1.00 0.00 C ATOM 927 C VAL A 62 -8.078 1.118 5.852 1.00 0.00 C ATOM 928 O VAL A 62 -9.306 1.220 5.853 1.00 0.00 O ATOM 929 CB VAL A 62 -6.860 -0.738 4.886 1.00 0.00 C ATOM 930 CG1 VAL A 62 -8.043 -1.677 4.834 1.00 0.00 C ATOM 931 CG2 VAL A 62 -5.784 -1.161 3.951 1.00 0.00 C ATOM 0 H VAL A 62 -5.226 1.152 4.399 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.893 0.763 3.715 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.440 -0.782 5.891 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.706 -2.697 5.020 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.769 -1.390 5.595 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.508 -1.622 3.850 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.498 -2.191 4.167 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.146 -1.092 2.925 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.918 -0.511 4.075 1.00 0.00 H new ATOM 941 N ARG A 63 -7.313 1.416 6.846 1.00 0.00 N ATOM 942 CA ARG A 63 -7.834 1.751 8.175 1.00 0.00 C ATOM 943 C ARG A 63 -8.662 3.046 8.261 1.00 0.00 C ATOM 944 O ARG A 63 -9.691 3.067 8.937 1.00 0.00 O ATOM 945 CB ARG A 63 -6.724 1.656 9.266 1.00 0.00 C ATOM 946 CG ARG A 63 -6.982 2.380 10.589 1.00 0.00 C ATOM 947 CD ARG A 63 -6.477 3.814 10.516 1.00 0.00 C ATOM 948 NE ARG A 63 -6.948 4.653 11.623 1.00 0.00 N ATOM 949 CZ ARG A 63 -6.343 5.771 12.075 1.00 0.00 C ATOM 950 NH1 ARG A 63 -5.084 6.058 11.725 1.00 0.00 N ATOM 951 NH2 ARG A 63 -6.981 6.562 12.926 1.00 0.00 N ATOM 0 H ARG A 63 -6.295 1.441 6.783 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.574 0.979 8.386 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.555 0.602 9.485 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.799 2.046 8.842 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.049 2.374 10.812 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.483 1.853 11.403 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.387 3.808 10.512 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -6.797 4.257 9.573 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.807 4.366 12.092 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.570 5.428 11.109 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.639 6.907 12.074 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.923 6.324 13.235 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -6.530 7.409 13.272 1.00 0.00 H new ATOM 965 N ALA A 64 -8.242 4.103 7.594 1.00 0.00 N ATOM 966 CA ALA A 64 -8.918 5.385 7.743 1.00 0.00 C ATOM 967 C ALA A 64 -9.716 5.737 6.522 1.00 0.00 C ATOM 968 O ALA A 64 -10.843 6.225 6.626 1.00 0.00 O ATOM 969 CB ALA A 64 -7.882 6.470 8.028 1.00 0.00 C ATOM 0 H ALA A 64 -7.449 4.106 6.952 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.616 5.310 8.577 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.383 7.431 8.140 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.347 6.230 8.947 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.175 6.524 7.200 1.00 0.00 H new ATOM 975 N VAL A 65 -9.076 5.590 5.421 1.00 0.00 N ATOM 976 CA VAL A 65 -9.669 5.826 4.121 1.00 0.00 C ATOM 977 C VAL A 65 -11.043 5.126 3.957 1.00 0.00 C ATOM 978 O VAL A 65 -12.044 5.787 3.720 1.00 0.00 O ATOM 979 CB VAL A 65 -8.693 5.419 3.008 1.00 0.00 C ATOM 980 CG1 VAL A 65 -9.363 5.335 1.710 1.00 0.00 C ATOM 981 CG2 VAL A 65 -7.532 6.389 2.930 1.00 0.00 C ATOM 0 H VAL A 65 -8.100 5.296 5.378 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.863 6.896 4.040 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.311 4.429 3.257 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.642 5.045 0.946 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.159 4.592 1.759 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.788 6.306 1.457 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.853 6.081 2.135 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.908 7.390 2.719 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.998 6.395 3.880 1.00 0.00 H new ATOM 991 N LEU A 66 -11.102 3.826 4.113 1.00 0.00 N ATOM 992 CA LEU A 66 -12.380 3.149 3.988 1.00 0.00 C ATOM 993 C LEU A 66 -12.948 2.870 5.355 1.00 0.00 C ATOM 994 O LEU A 66 -12.240 2.966 6.363 1.00 0.00 O ATOM 995 CB LEU A 66 -12.305 1.851 3.188 1.00 0.00 C ATOM 996 CG LEU A 66 -12.698 1.875 1.696 1.00 0.00 C ATOM 997 CD1 LEU A 66 -11.819 2.775 0.861 1.00 0.00 C ATOM 998 CD2 LEU A 66 -12.661 0.478 1.167 1.00 0.00 C ATOM 0 H LEU A 66 -10.306 3.224 4.321 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.033 3.822 3.433 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.282 1.481 3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -12.941 1.119 3.685 1.00 0.00 H new ATOM 0 HG LEU A 66 -13.704 2.289 1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.150 2.745 -0.177 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.886 3.797 1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -10.786 2.433 0.922 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -12.937 0.481 0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.655 0.074 1.278 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -13.364 -0.141 1.724 1.00 0.00 H new ATOM 1010 N SER A 67 -14.209 2.546 5.406 1.00 0.00 N ATOM 1011 CA SER A 67 -14.864 2.257 6.650 1.00 0.00 C ATOM 1012 C SER A 67 -15.812 1.067 6.489 1.00 0.00 C ATOM 1013 O SER A 67 -16.773 1.129 5.720 1.00 0.00 O ATOM 1014 CB SER A 67 -15.652 3.497 7.094 1.00 0.00 C ATOM 1015 OG SER A 67 -14.813 4.647 7.155 1.00 0.00 O ATOM 0 H SER A 67 -14.812 2.475 4.586 1.00 0.00 H new ATOM 0 HA SER A 67 -14.118 2.002 7.403 1.00 0.00 H new ATOM 0 HB2 SER A 67 -16.472 3.678 6.399 1.00 0.00 H new ATOM 0 HB3 SER A 67 -16.098 3.317 8.072 1.00 0.00 H new ATOM 0 HG SER A 67 -15.341 5.422 7.439 1.00 0.00 H new ATOM 1021 N GLY A 68 -15.516 -0.016 7.173 1.00 0.00 N ATOM 1022 CA GLY A 68 -16.421 -1.140 7.210 1.00 0.00 C ATOM 1023 C GLY A 68 -15.981 -2.300 6.354 1.00 0.00 C ATOM 1024 O GLY A 68 -15.337 -3.221 6.847 1.00 0.00 O ATOM 0 H GLY A 68 -14.658 -0.141 7.709 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -16.524 -1.479 8.241 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.408 -0.812 6.883 1.00 0.00 H new ATOM 1028 N GLY A 69 -16.299 -2.236 5.077 1.00 0.00 N ATOM 1029 CA GLY A 69 -16.030 -3.322 4.147 1.00 0.00 C ATOM 1030 C GLY A 69 -14.554 -3.553 3.881 1.00 0.00 C ATOM 1031 O GLY A 69 -14.157 -4.655 3.455 1.00 0.00 O ATOM 0 H GLY A 69 -16.753 -1.428 4.650 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.466 -4.240 4.540 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -16.531 -3.110 3.202 1.00 0.00 H new ATOM 1035 N ASP A 70 -13.759 -2.522 4.147 1.00 0.00 N ATOM 1036 CA ASP A 70 -12.313 -2.482 3.858 1.00 0.00 C ATOM 1037 C ASP A 70 -11.597 -3.783 4.181 1.00 0.00 C ATOM 1038 O ASP A 70 -11.038 -4.434 3.255 1.00 0.00 O ATOM 1039 CB ASP A 70 -11.624 -1.307 4.622 1.00 0.00 C ATOM 1040 CG ASP A 70 -11.777 -1.349 6.149 1.00 0.00 C ATOM 1041 OD1 ASP A 70 -12.823 -0.893 6.672 1.00 0.00 O ATOM 1042 OD2 ASP A 70 -10.880 -1.860 6.858 1.00 0.00 O ATOM 0 H ASP A 70 -14.102 -1.665 4.581 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.232 -2.325 2.782 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -10.562 -1.308 4.378 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -12.034 -0.366 4.256 1.00 0.00 H new ATOM 1047 N HIS A 71 -11.694 -4.223 5.414 1.00 0.00 N ATOM 1048 CA HIS A 71 -10.955 -5.355 5.860 1.00 0.00 C ATOM 1049 C HIS A 71 -11.402 -6.611 5.165 1.00 0.00 C ATOM 1050 O HIS A 71 -10.563 -7.382 4.702 1.00 0.00 O ATOM 1051 CB HIS A 71 -11.017 -5.521 7.388 1.00 0.00 C ATOM 1052 CG HIS A 71 -10.045 -6.545 7.912 1.00 0.00 C ATOM 1053 ND1 HIS A 71 -8.775 -6.230 8.318 1.00 0.00 N ATOM 1054 CD2 HIS A 71 -10.159 -7.882 8.070 1.00 0.00 C ATOM 1055 CE1 HIS A 71 -8.153 -7.316 8.702 1.00 0.00 C ATOM 1056 NE2 HIS A 71 -8.965 -8.337 8.561 1.00 0.00 N ATOM 0 H HIS A 71 -12.289 -3.800 6.126 1.00 0.00 H new ATOM 0 HA HIS A 71 -9.913 -5.175 5.595 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -10.813 -4.560 7.860 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -12.028 -5.809 7.675 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -11.030 -8.481 7.850 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -7.140 -7.364 9.073 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -8.743 -9.308 8.781 1.00 0.00 H new ATOM 1065 N LEU A 72 -12.708 -6.796 5.028 1.00 0.00 N ATOM 1066 CA LEU A 72 -13.201 -8.013 4.468 1.00 0.00 C ATOM 1067 C LEU A 72 -12.715 -8.277 3.055 1.00 0.00 C ATOM 1068 O LEU A 72 -12.010 -9.257 2.842 1.00 0.00 O ATOM 1069 CB LEU A 72 -14.710 -8.314 4.754 1.00 0.00 C ATOM 1070 CG LEU A 72 -15.774 -7.210 4.541 1.00 0.00 C ATOM 1071 CD1 LEU A 72 -16.118 -6.988 3.078 1.00 0.00 C ATOM 1072 CD2 LEU A 72 -17.021 -7.538 5.327 1.00 0.00 C ATOM 0 H LEU A 72 -13.423 -6.120 5.297 1.00 0.00 H new ATOM 0 HA LEU A 72 -12.717 -8.801 5.045 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -14.995 -9.163 4.132 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.784 -8.640 5.791 1.00 0.00 H new ATOM 0 HG LEU A 72 -15.340 -6.278 4.903 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -16.869 -6.202 2.996 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -15.221 -6.691 2.534 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -16.511 -7.911 2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -17.765 -6.757 5.172 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -17.423 -8.493 4.990 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -16.777 -7.601 6.387 1.00 0.00 H new ATOM 1084 N LEU A 73 -12.937 -7.383 2.124 1.00 0.00 N ATOM 1085 CA LEU A 73 -12.444 -7.682 0.785 1.00 0.00 C ATOM 1086 C LEU A 73 -10.983 -7.283 0.551 1.00 0.00 C ATOM 1087 O LEU A 73 -10.151 -8.176 0.285 1.00 0.00 O ATOM 1088 CB LEU A 73 -13.346 -7.212 -0.348 1.00 0.00 C ATOM 1089 CG LEU A 73 -14.461 -8.183 -0.854 1.00 0.00 C ATOM 1090 CD1 LEU A 73 -13.919 -9.563 -1.199 1.00 0.00 C ATOM 1091 CD2 LEU A 73 -15.601 -8.313 0.109 1.00 0.00 C ATOM 0 H LEU A 73 -13.423 -6.494 2.244 1.00 0.00 H new ATOM 0 HA LEU A 73 -12.476 -8.771 0.755 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.828 -6.288 -0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -12.711 -6.962 -1.198 1.00 0.00 H new ATOM 0 HG LEU A 73 -14.841 -7.724 -1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -14.734 -10.198 -1.545 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -13.170 -9.473 -1.986 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.464 -10.007 -0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -16.344 -9.000 -0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -15.232 -8.698 1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -16.058 -7.336 0.266 1.00 0.00 H new ATOM 1103 N TRP A 74 -10.646 -5.967 0.686 1.00 0.00 N ATOM 1104 CA TRP A 74 -9.278 -5.494 0.500 1.00 0.00 C ATOM 1105 C TRP A 74 -8.288 -6.361 1.301 1.00 0.00 C ATOM 1106 O TRP A 74 -7.286 -6.813 0.813 1.00 0.00 O ATOM 1107 CB TRP A 74 -9.120 -4.030 0.996 1.00 0.00 C ATOM 1108 CG TRP A 74 -9.649 -2.841 0.153 1.00 0.00 C ATOM 1109 CD1 TRP A 74 -10.586 -2.794 -0.863 1.00 0.00 C ATOM 1110 CD2 TRP A 74 -9.149 -1.504 0.275 1.00 0.00 C ATOM 1111 NE1 TRP A 74 -10.738 -1.478 -1.303 1.00 0.00 N ATOM 1112 CE2 TRP A 74 -9.859 -0.675 -0.604 1.00 0.00 C ATOM 1113 CE3 TRP A 74 -8.173 -0.959 1.072 1.00 0.00 C ATOM 1114 CZ2 TRP A 74 -9.615 0.711 -0.692 1.00 0.00 C ATOM 1115 CZ3 TRP A 74 -7.903 0.423 1.000 1.00 0.00 C ATOM 1116 CH2 TRP A 74 -8.636 1.251 0.124 1.00 0.00 C ATOM 0 H TRP A 74 -11.314 -5.233 0.922 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.065 -5.555 -0.567 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -9.602 -3.969 1.972 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -8.055 -3.860 1.156 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -11.120 -3.647 -1.257 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -11.390 -1.162 -2.021 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -7.614 -1.586 1.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -10.175 1.332 -1.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -7.129 0.851 1.620 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -8.432 2.311 0.090 1.00 0.00 H new ATOM 1127 N LYS A 75 -8.613 -6.594 2.509 1.00 0.00 N ATOM 1128 CA LYS A 75 -7.690 -7.220 3.430 1.00 0.00 C ATOM 1129 C LYS A 75 -7.656 -8.717 3.480 1.00 0.00 C ATOM 1130 O LYS A 75 -6.569 -9.267 3.635 1.00 0.00 O ATOM 1131 CB LYS A 75 -7.679 -6.560 4.762 1.00 0.00 C ATOM 1132 CG LYS A 75 -7.458 -5.089 4.611 1.00 0.00 C ATOM 1133 CD LYS A 75 -6.054 -4.743 4.115 1.00 0.00 C ATOM 1134 CE LYS A 75 -5.104 -4.687 5.299 1.00 0.00 C ATOM 1135 NZ LYS A 75 -3.754 -4.195 4.973 1.00 0.00 N ATOM 0 H LYS A 75 -9.522 -6.365 2.911 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.724 -7.025 2.965 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.624 -6.742 5.273 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.893 -6.991 5.382 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.193 -4.687 3.914 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.629 -4.601 5.571 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.715 -5.490 3.397 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.065 -3.784 3.597 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.536 -4.045 6.066 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.020 -5.685 5.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.357 -3.700 5.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.142 -4.998 4.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.809 -3.539 4.168 1.00 0.00 H new ATOM 1149 N SER A 76 -8.796 -9.413 3.360 1.00 0.00 N ATOM 1150 CA SER A 76 -8.705 -10.870 3.358 1.00 0.00 C ATOM 1151 C SER A 76 -7.875 -11.303 2.153 1.00 0.00 C ATOM 1152 O SER A 76 -7.003 -12.181 2.245 1.00 0.00 O ATOM 1153 CB SER A 76 -10.084 -11.522 3.344 1.00 0.00 C ATOM 1154 OG SER A 76 -10.886 -11.048 4.431 1.00 0.00 O ATOM 0 H SER A 76 -9.732 -9.019 3.269 1.00 0.00 H new ATOM 0 HA SER A 76 -8.219 -11.200 4.276 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.582 -11.307 2.399 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.979 -12.605 3.410 1.00 0.00 H new ATOM 0 HG SER A 76 -11.350 -10.227 4.162 1.00 0.00 H new ATOM 1160 N GLU A 77 -8.063 -10.584 1.058 1.00 0.00 N ATOM 1161 CA GLU A 77 -7.329 -10.855 -0.152 1.00 0.00 C ATOM 1162 C GLU A 77 -5.909 -10.293 -0.062 1.00 0.00 C ATOM 1163 O GLU A 77 -5.051 -10.701 -0.823 1.00 0.00 O ATOM 1164 CB GLU A 77 -8.029 -10.216 -1.320 1.00 0.00 C ATOM 1165 CG GLU A 77 -9.437 -10.679 -1.568 1.00 0.00 C ATOM 1166 CD GLU A 77 -9.506 -11.891 -2.422 1.00 0.00 C ATOM 1167 OE1 GLU A 77 -9.400 -11.740 -3.648 1.00 0.00 O ATOM 1168 OE2 GLU A 77 -9.687 -12.990 -1.911 1.00 0.00 O ATOM 0 H GLU A 77 -8.721 -9.808 0.990 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.278 -11.935 -0.287 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.043 -9.137 -1.166 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.441 -10.402 -2.219 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.919 -10.886 -0.613 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.000 -9.875 -2.042 1.00 0.00 H new ATOM 1175 N PHE A 78 -5.679 -9.319 0.820 1.00 0.00 N ATOM 1176 CA PHE A 78 -4.331 -8.775 1.021 1.00 0.00 C ATOM 1177 C PHE A 78 -3.430 -9.866 1.453 1.00 0.00 C ATOM 1178 O PHE A 78 -2.400 -10.111 0.849 1.00 0.00 O ATOM 1179 CB PHE A 78 -4.354 -7.648 2.057 1.00 0.00 C ATOM 1180 CG PHE A 78 -3.014 -7.068 2.421 1.00 0.00 C ATOM 1181 CD1 PHE A 78 -2.251 -6.400 1.483 1.00 0.00 C ATOM 1182 CD2 PHE A 78 -2.542 -7.156 3.720 1.00 0.00 C ATOM 1183 CE1 PHE A 78 -1.047 -5.829 1.827 1.00 0.00 C ATOM 1184 CE2 PHE A 78 -1.331 -6.593 4.070 1.00 0.00 C ATOM 1185 CZ PHE A 78 -0.586 -5.924 3.121 1.00 0.00 C ATOM 0 H PHE A 78 -6.400 -8.893 1.402 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.965 -8.356 0.084 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -4.986 -6.845 1.679 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.825 -8.024 2.965 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.604 -6.325 0.465 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.128 -7.671 4.467 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.464 -5.307 1.083 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.968 -6.676 5.084 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.358 -5.475 3.393 1.00 0.00 H new ATOM 1195 N PHE A 79 -3.872 -10.566 2.436 1.00 0.00 N ATOM 1196 CA PHE A 79 -3.139 -11.648 2.975 1.00 0.00 C ATOM 1197 C PHE A 79 -2.998 -12.770 1.981 1.00 0.00 C ATOM 1198 O PHE A 79 -1.913 -13.318 1.811 1.00 0.00 O ATOM 1199 CB PHE A 79 -3.778 -12.096 4.261 1.00 0.00 C ATOM 1200 CG PHE A 79 -3.584 -11.083 5.350 1.00 0.00 C ATOM 1201 CD1 PHE A 79 -2.334 -10.891 5.923 1.00 0.00 C ATOM 1202 CD2 PHE A 79 -4.630 -10.286 5.764 1.00 0.00 C ATOM 1203 CE1 PHE A 79 -2.149 -9.928 6.895 1.00 0.00 C ATOM 1204 CE2 PHE A 79 -4.448 -9.321 6.730 1.00 0.00 C ATOM 1205 CZ PHE A 79 -3.212 -9.142 7.296 1.00 0.00 C ATOM 0 H PHE A 79 -4.768 -10.398 2.894 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.125 -11.317 3.198 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.843 -12.261 4.101 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -3.350 -13.050 4.569 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.500 -11.500 5.606 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.607 -10.420 5.324 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -1.175 -9.789 7.341 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -5.279 -8.705 7.042 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.070 -8.387 8.055 1.00 0.00 H new ATOM 1215 N GLU A 80 -4.060 -13.063 1.275 1.00 0.00 N ATOM 1216 CA GLU A 80 -4.022 -14.128 0.314 1.00 0.00 C ATOM 1217 C GLU A 80 -3.120 -13.836 -0.878 1.00 0.00 C ATOM 1218 O GLU A 80 -2.176 -14.567 -1.092 1.00 0.00 O ATOM 1219 CB GLU A 80 -5.409 -14.555 -0.101 1.00 0.00 C ATOM 1220 CG GLU A 80 -6.234 -15.004 1.080 1.00 0.00 C ATOM 1221 CD GLU A 80 -7.383 -15.860 0.694 1.00 0.00 C ATOM 1222 OE1 GLU A 80 -7.169 -17.038 0.360 1.00 0.00 O ATOM 1223 OE2 GLU A 80 -8.519 -15.385 0.713 1.00 0.00 O ATOM 0 H GLU A 80 -4.956 -12.580 1.349 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.562 -14.977 0.820 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.910 -13.726 -0.600 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.338 -15.367 -0.825 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.597 -15.552 1.774 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.604 -14.127 1.612 1.00 0.00 H new ATOM 1230 N ASN A 81 -3.367 -12.733 -1.605 1.00 0.00 N ATOM 1231 CA ASN A 81 -2.559 -12.402 -2.804 1.00 0.00 C ATOM 1232 C ASN A 81 -1.109 -12.221 -2.456 1.00 0.00 C ATOM 1233 O ASN A 81 -0.231 -12.745 -3.136 1.00 0.00 O ATOM 1234 CB ASN A 81 -3.005 -11.125 -3.551 1.00 0.00 C ATOM 1235 CG ASN A 81 -4.344 -11.193 -4.247 1.00 0.00 C ATOM 1236 OD1 ASN A 81 -4.465 -11.728 -5.352 1.00 0.00 O ATOM 1237 ND2 ASN A 81 -5.325 -10.544 -3.693 1.00 0.00 N ATOM 0 H ASN A 81 -4.105 -12.062 -1.393 1.00 0.00 H new ATOM 0 HA ASN A 81 -2.715 -13.257 -3.462 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -3.031 -10.302 -2.837 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -2.245 -10.879 -4.293 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -6.222 -10.468 -4.173 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -5.198 -10.111 -2.778 1.00 0.00 H new ATOM 1244 N CYS A 82 -0.848 -11.504 -1.388 1.00 0.00 N ATOM 1245 CA CYS A 82 0.508 -11.216 -1.010 1.00 0.00 C ATOM 1246 C CYS A 82 1.258 -12.456 -0.545 1.00 0.00 C ATOM 1247 O CYS A 82 2.356 -12.698 -0.995 1.00 0.00 O ATOM 1248 CB CYS A 82 0.566 -10.115 0.021 1.00 0.00 C ATOM 1249 SG CYS A 82 -0.085 -8.519 -0.545 1.00 0.00 S ATOM 0 H CYS A 82 -1.558 -11.112 -0.769 1.00 0.00 H new ATOM 0 HA CYS A 82 1.018 -10.863 -1.906 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.006 -10.430 0.902 1.00 0.00 H new ATOM 0 HB3 CYS A 82 1.602 -9.981 0.333 1.00 0.00 H new ATOM 0 HG CYS A 82 -0.645 -7.901 0.452 1.00 0.00 H new ATOM 1255 N ARG A 83 0.651 -13.272 0.311 1.00 0.00 N ATOM 1256 CA ARG A 83 1.332 -14.477 0.781 1.00 0.00 C ATOM 1257 C ARG A 83 1.447 -15.497 -0.335 1.00 0.00 C ATOM 1258 O ARG A 83 2.377 -16.274 -0.363 1.00 0.00 O ATOM 1259 CB ARG A 83 0.663 -15.093 2.013 1.00 0.00 C ATOM 1260 CG ARG A 83 0.743 -14.233 3.265 1.00 0.00 C ATOM 1261 CD ARG A 83 2.182 -14.053 3.745 1.00 0.00 C ATOM 1262 NE ARG A 83 2.239 -13.230 4.961 1.00 0.00 N ATOM 1263 CZ ARG A 83 2.244 -13.719 6.215 1.00 0.00 C ATOM 1264 NH1 ARG A 83 2.312 -15.028 6.424 1.00 0.00 N ATOM 1265 NH2 ARG A 83 2.207 -12.901 7.252 1.00 0.00 N ATOM 0 H ARG A 83 -0.287 -13.129 0.686 1.00 0.00 H new ATOM 0 HA ARG A 83 2.333 -14.174 1.087 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.385 -15.285 1.785 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.126 -16.058 2.219 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.304 -13.256 3.063 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.151 -14.691 4.058 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.627 -15.028 3.942 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.774 -13.585 2.959 1.00 0.00 H new ATOM 0 HE ARG A 83 2.277 -12.217 4.847 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.361 -15.669 5.632 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.315 -15.393 7.377 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.174 -11.892 7.105 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.211 -13.278 8.200 1.00 0.00 H new ATOM 1279 N ASP A 84 0.515 -15.458 -1.258 1.00 0.00 N ATOM 1280 CA ASP A 84 0.514 -16.330 -2.447 1.00 0.00 C ATOM 1281 C ASP A 84 1.756 -16.052 -3.249 1.00 0.00 C ATOM 1282 O ASP A 84 2.550 -16.942 -3.570 1.00 0.00 O ATOM 1283 CB ASP A 84 -0.669 -15.958 -3.312 1.00 0.00 C ATOM 1284 CG ASP A 84 -0.977 -16.963 -4.378 1.00 0.00 C ATOM 1285 OD1 ASP A 84 -1.666 -17.964 -4.071 1.00 0.00 O ATOM 1286 OD2 ASP A 84 -0.584 -16.750 -5.552 1.00 0.00 O ATOM 0 H ASP A 84 -0.279 -14.819 -1.220 1.00 0.00 H new ATOM 0 HA ASP A 84 0.469 -17.375 -2.141 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -1.547 -15.834 -2.678 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -0.476 -14.993 -3.780 1.00 0.00 H new ATOM 1291 N THR A 85 1.917 -14.788 -3.520 1.00 0.00 N ATOM 1292 CA THR A 85 3.030 -14.248 -4.236 1.00 0.00 C ATOM 1293 C THR A 85 4.337 -14.498 -3.449 1.00 0.00 C ATOM 1294 O THR A 85 5.380 -14.831 -4.037 1.00 0.00 O ATOM 1295 CB THR A 85 2.771 -12.749 -4.420 1.00 0.00 C ATOM 1296 OG1 THR A 85 1.526 -12.578 -5.107 1.00 0.00 O ATOM 1297 CG2 THR A 85 3.868 -12.066 -5.192 1.00 0.00 C ATOM 0 H THR A 85 1.244 -14.077 -3.234 1.00 0.00 H new ATOM 0 HA THR A 85 3.142 -14.727 -5.208 1.00 0.00 H new ATOM 0 HB THR A 85 2.739 -12.290 -3.432 1.00 0.00 H new ATOM 0 HG1 THR A 85 0.790 -12.592 -4.460 1.00 0.00 H new ATOM 0 HG21 THR A 85 3.635 -11.006 -5.294 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.813 -12.181 -4.660 1.00 0.00 H new ATOM 0 HG23 THR A 85 3.951 -12.516 -6.181 1.00 0.00 H new ATOM 1305 N ALA A 86 4.240 -14.389 -2.123 1.00 0.00 N ATOM 1306 CA ALA A 86 5.338 -14.688 -1.229 1.00 0.00 C ATOM 1307 C ALA A 86 5.822 -16.085 -1.460 1.00 0.00 C ATOM 1308 O ALA A 86 6.995 -16.286 -1.676 1.00 0.00 O ATOM 1309 CB ALA A 86 4.925 -14.509 0.219 1.00 0.00 C ATOM 0 H ALA A 86 3.390 -14.089 -1.646 1.00 0.00 H new ATOM 0 HA ALA A 86 6.149 -13.990 -1.438 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.769 -14.740 0.869 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.612 -13.478 0.383 1.00 0.00 H new ATOM 0 HB3 ALA A 86 4.097 -15.180 0.447 1.00 0.00 H new ATOM 1315 N LYS A 87 4.895 -17.036 -1.462 1.00 0.00 N ATOM 1316 CA LYS A 87 5.192 -18.451 -1.706 1.00 0.00 C ATOM 1317 C LYS A 87 5.947 -18.625 -3.041 1.00 0.00 C ATOM 1318 O LYS A 87 6.932 -19.370 -3.118 1.00 0.00 O ATOM 1319 CB LYS A 87 3.896 -19.268 -1.743 1.00 0.00 C ATOM 1320 CG LYS A 87 3.047 -19.167 -0.487 1.00 0.00 C ATOM 1321 CD LYS A 87 1.687 -19.847 -0.650 1.00 0.00 C ATOM 1322 CE LYS A 87 1.800 -21.346 -0.863 1.00 0.00 C ATOM 1323 NZ LYS A 87 0.466 -21.983 -0.959 1.00 0.00 N ATOM 0 H LYS A 87 3.906 -16.850 -1.293 1.00 0.00 H new ATOM 0 HA LYS A 87 5.822 -18.810 -0.892 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.300 -18.941 -2.595 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.147 -20.315 -1.913 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.581 -19.622 0.347 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.898 -18.117 -0.235 1.00 0.00 H new ATOM 0 HD2 LYS A 87 1.082 -19.655 0.236 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.163 -19.403 -1.496 1.00 0.00 H new ATOM 0 HE2 LYS A 87 2.365 -21.543 -1.774 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.358 -21.791 -0.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.580 -23.007 -1.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -0.063 -21.815 -0.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.056 -21.575 -1.761 1.00 0.00 H new ATOM 1337 N ARG A 88 5.511 -17.889 -4.061 1.00 0.00 N ATOM 1338 CA ARG A 88 6.135 -17.928 -5.379 1.00 0.00 C ATOM 1339 C ARG A 88 7.551 -17.369 -5.354 1.00 0.00 C ATOM 1340 O ARG A 88 8.465 -17.934 -5.960 1.00 0.00 O ATOM 1341 CB ARG A 88 5.306 -17.198 -6.447 1.00 0.00 C ATOM 1342 CG ARG A 88 4.225 -18.030 -7.138 1.00 0.00 C ATOM 1343 CD ARG A 88 3.188 -18.583 -6.181 1.00 0.00 C ATOM 1344 NE ARG A 88 2.084 -19.228 -6.897 1.00 0.00 N ATOM 1345 CZ ARG A 88 1.040 -19.824 -6.315 1.00 0.00 C ATOM 1346 NH1 ARG A 88 1.056 -20.091 -5.021 1.00 0.00 N ATOM 1347 NH2 ARG A 88 0.012 -20.216 -7.043 1.00 0.00 N ATOM 0 H ARG A 88 4.718 -17.251 -3.996 1.00 0.00 H new ATOM 0 HA ARG A 88 6.180 -18.982 -5.652 1.00 0.00 H new ATOM 0 HB2 ARG A 88 4.831 -16.334 -5.982 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.986 -16.816 -7.209 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.726 -17.414 -7.887 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.697 -18.857 -7.668 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.658 -19.303 -5.511 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.798 -17.776 -5.560 1.00 0.00 H new ATOM 0 HE ARG A 88 2.115 -19.221 -7.917 1.00 0.00 H new ATOM 0 HH11 ARG A 88 1.870 -19.842 -4.459 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.255 -20.546 -4.584 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.014 -20.064 -8.052 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.785 -20.671 -6.597 1.00 0.00 H new ATOM 1361 N ASN A 89 7.762 -16.294 -4.657 1.00 0.00 N ATOM 1362 CA ASN A 89 9.089 -15.735 -4.609 1.00 0.00 C ATOM 1363 C ASN A 89 10.018 -16.403 -3.581 1.00 0.00 C ATOM 1364 O ASN A 89 11.240 -16.305 -3.711 1.00 0.00 O ATOM 1365 CB ASN A 89 9.130 -14.185 -4.565 1.00 0.00 C ATOM 1366 CG ASN A 89 8.830 -13.572 -5.942 1.00 0.00 C ATOM 1367 OD1 ASN A 89 9.040 -14.215 -6.976 1.00 0.00 O ATOM 1368 ND2 ASN A 89 8.443 -12.329 -5.982 1.00 0.00 N ATOM 0 H ASN A 89 7.053 -15.791 -4.123 1.00 0.00 H new ATOM 0 HA ASN A 89 9.514 -15.994 -5.579 1.00 0.00 H new ATOM 0 HB2 ASN A 89 8.403 -13.822 -3.838 1.00 0.00 H new ATOM 0 HB3 ASN A 89 10.112 -13.856 -4.226 1.00 0.00 H new ATOM 0 HD21 ASN A 89 8.307 -11.866 -6.881 1.00 0.00 H new ATOM 0 HD22 ASN A 89 8.276 -11.819 -5.115 1.00 0.00 H new ATOM 1375 N GLN A 90 9.463 -17.081 -2.553 1.00 0.00 N ATOM 1376 CA GLN A 90 10.298 -17.855 -1.608 1.00 0.00 C ATOM 1377 C GLN A 90 10.920 -19.043 -2.311 1.00 0.00 C ATOM 1378 O GLN A 90 12.098 -19.313 -2.138 1.00 0.00 O ATOM 1379 CB GLN A 90 9.537 -18.376 -0.367 1.00 0.00 C ATOM 1380 CG GLN A 90 8.756 -17.351 0.453 1.00 0.00 C ATOM 1381 CD GLN A 90 9.493 -16.056 0.671 1.00 0.00 C ATOM 1382 OE1 GLN A 90 10.251 -15.907 1.620 1.00 0.00 O ATOM 1383 NE2 GLN A 90 9.210 -15.092 -0.163 1.00 0.00 N ATOM 0 H GLN A 90 8.462 -17.109 -2.358 1.00 0.00 H new ATOM 0 HA GLN A 90 11.055 -17.154 -1.256 1.00 0.00 H new ATOM 0 HB2 GLN A 90 8.840 -19.147 -0.697 1.00 0.00 H new ATOM 0 HB3 GLN A 90 10.257 -18.859 0.293 1.00 0.00 H new ATOM 0 HG2 GLN A 90 7.812 -17.141 -0.050 1.00 0.00 H new ATOM 0 HG3 GLN A 90 8.511 -17.786 1.422 1.00 0.00 H new ATOM 0 HE21 GLN A 90 8.572 -15.261 -0.941 1.00 0.00 H new ATOM 0 HE22 GLN A 90 9.627 -14.170 -0.037 1.00 0.00 H new ATOM 1392 N GLN A 91 10.124 -19.747 -3.115 1.00 0.00 N ATOM 1393 CA GLN A 91 10.622 -20.902 -3.872 1.00 0.00 C ATOM 1394 C GLN A 91 11.626 -20.463 -4.951 1.00 0.00 C ATOM 1395 O GLN A 91 12.392 -21.263 -5.483 1.00 0.00 O ATOM 1396 CB GLN A 91 9.458 -21.703 -4.475 1.00 0.00 C ATOM 1397 CG GLN A 91 8.581 -20.901 -5.411 1.00 0.00 C ATOM 1398 CD GLN A 91 7.379 -21.655 -5.906 1.00 0.00 C ATOM 1399 OE1 GLN A 91 7.422 -22.315 -6.952 1.00 0.00 O ATOM 1400 NE2 GLN A 91 6.306 -21.571 -5.168 1.00 0.00 N ATOM 0 H GLN A 91 9.136 -19.542 -3.261 1.00 0.00 H new ATOM 0 HA GLN A 91 11.152 -21.559 -3.182 1.00 0.00 H new ATOM 0 HB2 GLN A 91 9.861 -22.560 -5.015 1.00 0.00 H new ATOM 0 HB3 GLN A 91 8.843 -22.097 -3.666 1.00 0.00 H new ATOM 0 HG2 GLN A 91 8.247 -19.999 -4.898 1.00 0.00 H new ATOM 0 HG3 GLN A 91 9.176 -20.580 -6.266 1.00 0.00 H new ATOM 0 HE21 GLN A 91 6.317 -21.015 -4.313 1.00 0.00 H new ATOM 0 HE22 GLN A 91 5.456 -22.062 -5.446 1.00 0.00 H new ATOM 1409 N ALA A 92 11.597 -19.180 -5.274 1.00 0.00 N ATOM 1410 CA ALA A 92 12.551 -18.613 -6.183 1.00 0.00 C ATOM 1411 C ALA A 92 13.804 -18.220 -5.406 1.00 0.00 C ATOM 1412 O ALA A 92 14.926 -18.425 -5.871 1.00 0.00 O ATOM 1413 CB ALA A 92 11.962 -17.414 -6.908 1.00 0.00 C ATOM 0 H ALA A 92 10.913 -18.516 -4.911 1.00 0.00 H new ATOM 0 HA ALA A 92 12.814 -19.353 -6.939 1.00 0.00 H new ATOM 0 HB1 ALA A 92 12.704 -17.001 -7.591 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.083 -17.726 -7.472 1.00 0.00 H new ATOM 0 HB3 ALA A 92 11.676 -16.654 -6.181 1.00 0.00 H new ATOM 1419 N GLY A 93 13.602 -17.695 -4.209 1.00 0.00 N ATOM 1420 CA GLY A 93 14.713 -17.320 -3.366 1.00 0.00 C ATOM 1421 C GLY A 93 15.126 -15.905 -3.614 1.00 0.00 C ATOM 1422 O GLY A 93 16.285 -15.624 -3.900 1.00 0.00 O ATOM 0 H GLY A 93 12.682 -17.521 -3.805 1.00 0.00 H new ATOM 0 HA2 GLY A 93 14.436 -17.443 -2.319 1.00 0.00 H new ATOM 0 HA3 GLY A 93 15.556 -17.986 -3.553 1.00 0.00 H new ATOM 1426 N ASN A 94 14.176 -15.009 -3.546 1.00 0.00 N ATOM 1427 CA ASN A 94 14.449 -13.612 -3.855 1.00 0.00 C ATOM 1428 C ASN A 94 14.621 -12.776 -2.606 1.00 0.00 C ATOM 1429 O ASN A 94 15.252 -11.718 -2.636 1.00 0.00 O ATOM 1430 CB ASN A 94 13.371 -13.010 -4.753 1.00 0.00 C ATOM 1431 CG ASN A 94 13.385 -13.574 -6.157 1.00 0.00 C ATOM 1432 OD1 ASN A 94 14.428 -13.962 -6.668 1.00 0.00 O ATOM 1433 ND2 ASN A 94 12.249 -13.596 -6.802 1.00 0.00 N ATOM 0 H ASN A 94 13.211 -15.210 -3.283 1.00 0.00 H new ATOM 0 HA ASN A 94 15.393 -13.597 -4.399 1.00 0.00 H new ATOM 0 HB2 ASN A 94 12.393 -13.188 -4.306 1.00 0.00 H new ATOM 0 HB3 ASN A 94 13.508 -11.930 -4.800 1.00 0.00 H new ATOM 0 HD21 ASN A 94 12.213 -13.944 -7.760 1.00 0.00 H new ATOM 0 HD22 ASN A 94 11.398 -13.265 -6.347 1.00 0.00 H new ATOM 1440 N GLY A 95 14.069 -13.241 -1.510 1.00 0.00 N ATOM 1441 CA GLY A 95 14.169 -12.524 -0.253 1.00 0.00 C ATOM 1442 C GLY A 95 13.086 -11.482 -0.096 1.00 0.00 C ATOM 1443 O GLY A 95 13.092 -10.697 0.857 1.00 0.00 O ATOM 0 H GLY A 95 13.544 -14.114 -1.460 1.00 0.00 H new ATOM 0 HA2 GLY A 95 14.109 -13.233 0.572 1.00 0.00 H new ATOM 0 HA3 GLY A 95 15.145 -12.042 -0.189 1.00 0.00 H new ATOM 1447 N TRP A 96 12.142 -11.493 -0.996 1.00 0.00 N ATOM 1448 CA TRP A 96 11.080 -10.523 -1.025 1.00 0.00 C ATOM 1449 C TRP A 96 9.773 -11.211 -0.813 1.00 0.00 C ATOM 1450 O TRP A 96 9.737 -12.440 -0.618 1.00 0.00 O ATOM 1451 CB TRP A 96 11.019 -9.801 -2.380 1.00 0.00 C ATOM 1452 CG TRP A 96 12.212 -8.987 -2.729 1.00 0.00 C ATOM 1453 CD1 TRP A 96 12.797 -8.026 -1.963 1.00 0.00 C ATOM 1454 CD2 TRP A 96 12.935 -9.010 -3.965 1.00 0.00 C ATOM 1455 NE1 TRP A 96 13.848 -7.476 -2.623 1.00 0.00 N ATOM 1456 CE2 TRP A 96 13.961 -8.063 -3.857 1.00 0.00 C ATOM 1457 CE3 TRP A 96 12.824 -9.751 -5.148 1.00 0.00 C ATOM 1458 CZ2 TRP A 96 14.867 -7.835 -4.878 1.00 0.00 C ATOM 1459 CZ3 TRP A 96 13.731 -9.515 -6.165 1.00 0.00 C ATOM 1460 CH2 TRP A 96 14.737 -8.568 -6.022 1.00 0.00 C ATOM 0 H TRP A 96 12.087 -12.187 -1.742 1.00 0.00 H new ATOM 0 HA TRP A 96 11.274 -9.795 -0.238 1.00 0.00 H new ATOM 0 HB2 TRP A 96 10.868 -10.546 -3.162 1.00 0.00 H new ATOM 0 HB3 TRP A 96 10.144 -9.151 -2.386 1.00 0.00 H new ATOM 0 HD1 TRP A 96 12.472 -7.742 -0.973 1.00 0.00 H new ATOM 0 HE1 TRP A 96 14.457 -6.743 -2.259 1.00 0.00 H new ATOM 0 HE3 TRP A 96 12.046 -10.491 -5.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 15.652 -7.101 -4.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 13.656 -10.076 -7.085 1.00 0.00 H new ATOM 0 HH2 TRP A 96 15.431 -8.408 -6.834 1.00 0.00 H new ATOM 1471 N ASP A 97 8.730 -10.407 -0.748 1.00 0.00 N ATOM 1472 CA ASP A 97 7.326 -10.857 -0.817 1.00 0.00 C ATOM 1473 C ASP A 97 6.752 -11.423 0.463 1.00 0.00 C ATOM 1474 O ASP A 97 5.596 -11.215 0.750 1.00 0.00 O ATOM 1475 CB ASP A 97 7.096 -11.801 -1.994 1.00 0.00 C ATOM 1476 CG ASP A 97 7.313 -11.137 -3.317 1.00 0.00 C ATOM 1477 OD1 ASP A 97 8.470 -11.003 -3.737 1.00 0.00 O ATOM 1478 OD2 ASP A 97 6.351 -10.753 -3.961 1.00 0.00 O ATOM 0 H ASP A 97 8.822 -9.397 -0.643 1.00 0.00 H new ATOM 0 HA ASP A 97 6.763 -9.938 -0.980 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.768 -12.655 -1.906 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.079 -12.190 -1.950 1.00 0.00 H new ATOM 1483 N PHE A 98 7.521 -12.167 1.207 1.00 0.00 N ATOM 1484 CA PHE A 98 7.012 -12.709 2.453 1.00 0.00 C ATOM 1485 C PHE A 98 7.025 -11.682 3.572 1.00 0.00 C ATOM 1486 O PHE A 98 5.987 -11.300 4.072 1.00 0.00 O ATOM 1487 CB PHE A 98 7.714 -14.024 2.848 1.00 0.00 C ATOM 1488 CG PHE A 98 7.283 -14.579 4.181 1.00 0.00 C ATOM 1489 CD1 PHE A 98 5.959 -14.928 4.416 1.00 0.00 C ATOM 1490 CD2 PHE A 98 8.197 -14.751 5.201 1.00 0.00 C ATOM 1491 CE1 PHE A 98 5.565 -15.431 5.641 1.00 0.00 C ATOM 1492 CE2 PHE A 98 7.807 -15.254 6.430 1.00 0.00 C ATOM 1493 CZ PHE A 98 6.491 -15.594 6.652 1.00 0.00 C ATOM 0 H PHE A 98 8.486 -12.414 0.986 1.00 0.00 H new ATOM 0 HA PHE A 98 5.966 -12.962 2.281 1.00 0.00 H new ATOM 0 HB2 PHE A 98 7.522 -14.771 2.077 1.00 0.00 H new ATOM 0 HB3 PHE A 98 8.791 -13.856 2.868 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.228 -14.804 3.631 1.00 0.00 H new ATOM 0 HD2 PHE A 98 9.232 -14.489 5.038 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.532 -15.697 5.808 1.00 0.00 H new ATOM 0 HE2 PHE A 98 8.536 -15.380 7.217 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.185 -15.986 7.611 1.00 0.00 H new ATOM 1503 N ASP A 99 8.205 -11.302 4.009 1.00 0.00 N ATOM 1504 CA ASP A 99 8.346 -10.320 5.071 1.00 0.00 C ATOM 1505 C ASP A 99 8.404 -8.917 4.551 1.00 0.00 C ATOM 1506 O ASP A 99 8.094 -7.972 5.269 1.00 0.00 O ATOM 1507 CB ASP A 99 9.582 -10.568 5.916 1.00 0.00 C ATOM 1508 CG ASP A 99 9.577 -11.879 6.640 1.00 0.00 C ATOM 1509 OD1 ASP A 99 8.802 -12.026 7.611 1.00 0.00 O ATOM 1510 OD2 ASP A 99 10.395 -12.763 6.300 1.00 0.00 O ATOM 0 H ASP A 99 9.089 -11.659 3.645 1.00 0.00 H new ATOM 0 HA ASP A 99 7.454 -10.435 5.686 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.462 -10.523 5.274 1.00 0.00 H new ATOM 0 HB3 ASP A 99 9.678 -9.763 6.645 1.00 0.00 H new ATOM 1515 N MET A 100 8.891 -8.771 3.333 1.00 0.00 N ATOM 1516 CA MET A 100 9.051 -7.446 2.730 1.00 0.00 C ATOM 1517 C MET A 100 7.704 -6.891 2.284 1.00 0.00 C ATOM 1518 O MET A 100 7.448 -5.697 2.348 1.00 0.00 O ATOM 1519 CB MET A 100 10.014 -7.499 1.540 1.00 0.00 C ATOM 1520 CG MET A 100 11.436 -7.953 1.869 1.00 0.00 C ATOM 1521 SD MET A 100 12.298 -6.883 3.022 1.00 0.00 S ATOM 1522 CE MET A 100 13.905 -7.670 3.052 1.00 0.00 C ATOM 0 H MET A 100 9.184 -9.546 2.738 1.00 0.00 H new ATOM 0 HA MET A 100 9.471 -6.784 3.487 1.00 0.00 H new ATOM 0 HB2 MET A 100 9.600 -8.172 0.789 1.00 0.00 H new ATOM 0 HB3 MET A 100 10.062 -6.508 1.088 1.00 0.00 H new ATOM 0 HG2 MET A 100 11.397 -8.960 2.284 1.00 0.00 H new ATOM 0 HG3 MET A 100 12.011 -8.011 0.945 1.00 0.00 H new ATOM 0 HE1 MET A 100 14.565 -7.124 3.726 1.00 0.00 H new ATOM 0 HE2 MET A 100 13.800 -8.698 3.400 1.00 0.00 H new ATOM 0 HE3 MET A 100 14.330 -7.668 2.048 1.00 0.00 H new ATOM 1532 N LEU A 101 6.878 -7.768 1.817 1.00 0.00 N ATOM 1533 CA LEU A 101 5.548 -7.460 1.378 1.00 0.00 C ATOM 1534 C LEU A 101 4.628 -7.953 2.454 1.00 0.00 C ATOM 1535 O LEU A 101 4.758 -9.101 2.834 1.00 0.00 O ATOM 1536 CB LEU A 101 5.278 -8.255 0.098 1.00 0.00 C ATOM 1537 CG LEU A 101 3.840 -8.329 -0.418 1.00 0.00 C ATOM 1538 CD1 LEU A 101 3.377 -7.004 -0.928 1.00 0.00 C ATOM 1539 CD2 LEU A 101 3.712 -9.401 -1.487 1.00 0.00 C ATOM 0 H LEU A 101 7.115 -8.756 1.725 1.00 0.00 H new ATOM 0 HA LEU A 101 5.410 -6.395 1.190 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.894 -7.830 -0.694 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.626 -9.275 0.260 1.00 0.00 H new ATOM 0 HG LEU A 101 3.195 -8.601 0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.352 -7.091 -1.287 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.419 -6.270 -0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.022 -6.683 -1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.682 -9.439 -1.842 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.375 -9.165 -2.320 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.987 -10.368 -1.067 1.00 0.00 H new ATOM 1551 N THR A 102 3.762 -7.090 2.995 1.00 0.00 N ATOM 1552 CA THR A 102 2.763 -7.550 3.955 1.00 0.00 C ATOM 1553 C THR A 102 3.323 -7.716 5.401 1.00 0.00 C ATOM 1554 O THR A 102 4.530 -7.787 5.615 1.00 0.00 O ATOM 1555 CB THR A 102 2.051 -8.846 3.382 1.00 0.00 C ATOM 1556 OG1 THR A 102 0.970 -8.495 2.538 1.00 0.00 O ATOM 1557 CG2 THR A 102 1.639 -9.894 4.407 1.00 0.00 C ATOM 0 H THR A 102 3.734 -6.092 2.789 1.00 0.00 H new ATOM 0 HA THR A 102 2.006 -6.775 4.072 1.00 0.00 H new ATOM 0 HB THR A 102 2.826 -9.345 2.801 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.704 -7.569 2.716 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.163 -10.733 3.899 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.521 -10.247 4.941 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.937 -9.454 5.116 1.00 0.00 H new ATOM 1565 N GLY A 103 2.415 -7.689 6.374 1.00 0.00 N ATOM 1566 CA GLY A 103 2.790 -7.912 7.752 1.00 0.00 C ATOM 1567 C GLY A 103 3.128 -9.371 7.949 1.00 0.00 C ATOM 1568 O GLY A 103 2.376 -10.242 7.502 1.00 0.00 O ATOM 0 H GLY A 103 1.421 -7.515 6.226 1.00 0.00 H new ATOM 0 HA2 GLY A 103 3.647 -7.290 8.013 1.00 0.00 H new ATOM 0 HA3 GLY A 103 1.974 -7.624 8.414 1.00 0.00 H new ATOM 1572 N SER A 104 4.196 -9.654 8.621 1.00 0.00 N ATOM 1573 CA SER A 104 4.678 -10.994 8.713 1.00 0.00 C ATOM 1574 C SER A 104 5.445 -11.220 10.033 1.00 0.00 C ATOM 1575 O SER A 104 5.266 -10.481 11.021 1.00 0.00 O ATOM 1576 CB SER A 104 5.603 -11.235 7.516 1.00 0.00 C ATOM 1577 OG SER A 104 6.732 -10.385 7.601 1.00 0.00 O ATOM 0 H SER A 104 4.758 -8.965 9.121 1.00 0.00 H new ATOM 0 HA SER A 104 3.840 -11.691 8.703 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.922 -12.277 7.496 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.065 -11.048 6.586 1.00 0.00 H new ATOM 0 HG SER A 104 7.494 -10.888 7.958 1.00 0.00 H new ATOM 1583 N GLY A 105 6.268 -12.227 10.015 1.00 0.00 N ATOM 1584 CA GLY A 105 6.992 -12.600 11.181 1.00 0.00 C ATOM 1585 C GLY A 105 8.350 -11.931 11.340 1.00 0.00 C ATOM 1586 O GLY A 105 8.743 -11.625 12.463 1.00 0.00 O ATOM 0 H GLY A 105 6.451 -12.805 9.195 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.385 -12.368 12.056 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.136 -13.680 11.170 1.00 0.00 H new ATOM 1590 N ASN A 106 9.067 -11.680 10.259 1.00 0.00 N ATOM 1591 CA ASN A 106 10.458 -11.218 10.407 1.00 0.00 C ATOM 1592 C ASN A 106 10.666 -9.722 10.259 1.00 0.00 C ATOM 1593 O ASN A 106 11.357 -9.122 11.080 1.00 0.00 O ATOM 1594 CB ASN A 106 11.407 -11.936 9.440 1.00 0.00 C ATOM 1595 CG ASN A 106 11.427 -13.430 9.611 1.00 0.00 C ATOM 1596 OD1 ASN A 106 12.214 -13.961 10.379 1.00 0.00 O ATOM 1597 ND2 ASN A 106 10.587 -14.119 8.882 1.00 0.00 N ATOM 0 H ASN A 106 8.737 -11.779 9.299 1.00 0.00 H new ATOM 0 HA ASN A 106 10.693 -11.472 11.441 1.00 0.00 H new ATOM 0 HB2 ASN A 106 11.116 -11.700 8.417 1.00 0.00 H new ATOM 0 HB3 ASN A 106 12.416 -11.549 9.581 1.00 0.00 H new ATOM 0 HD21 ASN A 106 10.574 -15.137 8.944 1.00 0.00 H new ATOM 0 HD22 ASN A 106 9.945 -13.638 8.252 1.00 0.00 H new ATOM 1604 N TYR A 107 10.084 -9.091 9.254 1.00 0.00 N ATOM 1605 CA TYR A 107 10.434 -7.679 9.031 1.00 0.00 C ATOM 1606 C TYR A 107 9.240 -6.748 9.050 1.00 0.00 C ATOM 1607 O TYR A 107 9.003 -6.057 10.038 1.00 0.00 O ATOM 1608 CB TYR A 107 11.207 -7.463 7.708 1.00 0.00 C ATOM 1609 CG TYR A 107 12.483 -8.268 7.539 1.00 0.00 C ATOM 1610 CD1 TYR A 107 13.532 -8.176 8.445 1.00 0.00 C ATOM 1611 CD2 TYR A 107 12.641 -9.101 6.445 1.00 0.00 C ATOM 1612 CE1 TYR A 107 14.695 -8.897 8.262 1.00 0.00 C ATOM 1613 CE2 TYR A 107 13.793 -9.828 6.251 1.00 0.00 C ATOM 1614 CZ TYR A 107 14.821 -9.727 7.162 1.00 0.00 C ATOM 1615 OH TYR A 107 15.983 -10.444 6.965 1.00 0.00 O ATOM 0 H TYR A 107 9.405 -9.494 8.608 1.00 0.00 H new ATOM 0 HA TYR A 107 11.077 -7.429 9.875 1.00 0.00 H new ATOM 0 HB2 TYR A 107 10.540 -7.700 6.879 1.00 0.00 H new ATOM 0 HB3 TYR A 107 11.456 -6.405 7.625 1.00 0.00 H new ATOM 0 HD1 TYR A 107 13.436 -7.531 9.306 1.00 0.00 H new ATOM 0 HD2 TYR A 107 11.840 -9.182 5.725 1.00 0.00 H new ATOM 0 HE1 TYR A 107 15.503 -8.814 8.974 1.00 0.00 H new ATOM 0 HE2 TYR A 107 13.890 -10.473 5.390 1.00 0.00 H new ATOM 0 HH TYR A 107 15.904 -10.977 6.146 1.00 0.00 H new ATOM 1625 N SER A 108 8.457 -6.807 7.971 1.00 0.00 N ATOM 1626 CA SER A 108 7.355 -5.857 7.663 1.00 0.00 C ATOM 1627 C SER A 108 7.672 -4.343 7.953 1.00 0.00 C ATOM 1628 O SER A 108 6.768 -3.512 7.958 1.00 0.00 O ATOM 1629 CB SER A 108 6.172 -6.282 8.474 1.00 0.00 C ATOM 1630 OG SER A 108 5.879 -7.621 8.234 1.00 0.00 O ATOM 0 H SER A 108 8.564 -7.531 7.261 1.00 0.00 H new ATOM 0 HA SER A 108 7.180 -5.902 6.588 1.00 0.00 H new ATOM 0 HB2 SER A 108 6.376 -6.132 9.534 1.00 0.00 H new ATOM 0 HB3 SER A 108 5.310 -5.663 8.224 1.00 0.00 H new ATOM 0 HG SER A 108 5.545 -7.724 7.318 1.00 0.00 H new ATOM 1636 N SER A 109 8.925 -4.003 8.141 1.00 0.00 N ATOM 1637 CA SER A 109 9.309 -2.678 8.552 1.00 0.00 C ATOM 1638 C SER A 109 9.460 -1.754 7.342 1.00 0.00 C ATOM 1639 O SER A 109 9.400 -2.201 6.195 1.00 0.00 O ATOM 1640 CB SER A 109 10.624 -2.774 9.346 1.00 0.00 C ATOM 1641 OG SER A 109 10.990 -1.535 9.927 1.00 0.00 O ATOM 0 H SER A 109 9.709 -4.643 8.012 1.00 0.00 H new ATOM 0 HA SER A 109 8.533 -2.249 9.186 1.00 0.00 H new ATOM 0 HB2 SER A 109 10.519 -3.524 10.130 1.00 0.00 H new ATOM 0 HB3 SER A 109 11.422 -3.113 8.685 1.00 0.00 H new ATOM 0 HG SER A 109 11.785 -1.183 9.474 1.00 0.00 H new ATOM 1647 N THR A 110 9.694 -0.477 7.603 1.00 0.00 N ATOM 1648 CA THR A 110 9.890 0.510 6.551 1.00 0.00 C ATOM 1649 C THR A 110 11.164 0.190 5.765 1.00 0.00 C ATOM 1650 O THR A 110 11.278 0.510 4.577 1.00 0.00 O ATOM 1651 CB THR A 110 9.987 1.921 7.159 1.00 0.00 C ATOM 1652 OG1 THR A 110 8.812 2.178 7.959 1.00 0.00 O ATOM 1653 CG2 THR A 110 10.125 2.989 6.078 1.00 0.00 C ATOM 0 H THR A 110 9.753 -0.096 8.547 1.00 0.00 H new ATOM 0 HA THR A 110 9.037 0.477 5.873 1.00 0.00 H new ATOM 0 HB THR A 110 10.880 1.965 7.783 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.872 3.075 8.349 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.191 3.972 6.544 1.00 0.00 H new ATOM 0 HG22 THR A 110 11.027 2.803 5.495 1.00 0.00 H new ATOM 0 HG23 THR A 110 9.256 2.956 5.421 1.00 0.00 H new ATOM 1661 N ASP A 111 12.098 -0.484 6.447 1.00 0.00 N ATOM 1662 CA ASP A 111 13.380 -0.921 5.876 1.00 0.00 C ATOM 1663 C ASP A 111 13.132 -1.688 4.608 1.00 0.00 C ATOM 1664 O ASP A 111 13.774 -1.451 3.576 1.00 0.00 O ATOM 1665 CB ASP A 111 14.127 -1.851 6.859 1.00 0.00 C ATOM 1666 CG ASP A 111 14.403 -1.220 8.202 1.00 0.00 C ATOM 1667 OD1 ASP A 111 13.466 -1.135 9.027 1.00 0.00 O ATOM 1668 OD2 ASP A 111 15.541 -0.799 8.468 1.00 0.00 O ATOM 0 H ASP A 111 11.984 -0.746 7.426 1.00 0.00 H new ATOM 0 HA ASP A 111 13.983 -0.034 5.680 1.00 0.00 H new ATOM 0 HB2 ASP A 111 13.538 -2.756 7.007 1.00 0.00 H new ATOM 0 HB3 ASP A 111 15.072 -2.156 6.410 1.00 0.00 H new ATOM 1673 N ALA A 112 12.074 -2.522 4.645 1.00 0.00 N ATOM 1674 CA ALA A 112 11.722 -3.433 3.586 1.00 0.00 C ATOM 1675 C ALA A 112 11.510 -2.717 2.278 1.00 0.00 C ATOM 1676 O ALA A 112 12.013 -3.146 1.247 1.00 0.00 O ATOM 1677 CB ALA A 112 10.464 -4.195 3.971 1.00 0.00 C ATOM 0 H ALA A 112 11.437 -2.567 5.441 1.00 0.00 H new ATOM 0 HA ALA A 112 12.551 -4.128 3.449 1.00 0.00 H new ATOM 0 HB1 ALA A 112 10.197 -4.885 3.170 1.00 0.00 H new ATOM 0 HB2 ALA A 112 10.645 -4.756 4.888 1.00 0.00 H new ATOM 0 HB3 ALA A 112 9.647 -3.491 4.131 1.00 0.00 H new ATOM 1683 N GLN A 113 10.814 -1.606 2.321 1.00 0.00 N ATOM 1684 CA GLN A 113 10.576 -0.855 1.125 1.00 0.00 C ATOM 1685 C GLN A 113 11.763 0.052 0.878 1.00 0.00 C ATOM 1686 O GLN A 113 12.129 0.270 -0.255 1.00 0.00 O ATOM 1687 CB GLN A 113 9.258 -0.058 1.230 1.00 0.00 C ATOM 1688 CG GLN A 113 8.740 0.560 -0.085 1.00 0.00 C ATOM 1689 CD GLN A 113 9.211 1.988 -0.355 1.00 0.00 C ATOM 1690 OE1 GLN A 113 8.556 2.954 0.014 1.00 0.00 O ATOM 1691 NE2 GLN A 113 10.358 2.132 -0.942 1.00 0.00 N ATOM 0 H GLN A 113 10.407 -1.209 3.168 1.00 0.00 H new ATOM 0 HA GLN A 113 10.466 -1.532 0.278 1.00 0.00 H new ATOM 0 HB2 GLN A 113 8.487 -0.718 1.627 1.00 0.00 H new ATOM 0 HB3 GLN A 113 9.397 0.743 1.956 1.00 0.00 H new ATOM 0 HG2 GLN A 113 9.053 -0.073 -0.915 1.00 0.00 H new ATOM 0 HG3 GLN A 113 7.650 0.549 -0.070 1.00 0.00 H new ATOM 0 HE21 GLN A 113 10.885 1.311 -1.240 1.00 0.00 H new ATOM 0 HE22 GLN A 113 10.733 3.066 -1.106 1.00 0.00 H new ATOM 1700 N MET A 114 12.376 0.540 1.960 1.00 0.00 N ATOM 1701 CA MET A 114 13.509 1.487 1.949 1.00 0.00 C ATOM 1702 C MET A 114 14.629 1.182 0.961 1.00 0.00 C ATOM 1703 O MET A 114 15.092 2.112 0.292 1.00 0.00 O ATOM 1704 CB MET A 114 14.063 1.649 3.371 1.00 0.00 C ATOM 1705 CG MET A 114 15.430 2.300 3.485 1.00 0.00 C ATOM 1706 SD MET A 114 15.931 2.498 5.211 1.00 0.00 S ATOM 1707 CE MET A 114 17.563 3.205 5.016 1.00 0.00 C ATOM 0 H MET A 114 12.091 0.281 2.905 1.00 0.00 H new ATOM 0 HA MET A 114 13.090 2.425 1.585 1.00 0.00 H new ATOM 0 HB2 MET A 114 13.353 2.239 3.951 1.00 0.00 H new ATOM 0 HB3 MET A 114 14.113 0.664 3.834 1.00 0.00 H new ATOM 0 HG2 MET A 114 16.167 1.694 2.959 1.00 0.00 H new ATOM 0 HG3 MET A 114 15.411 3.274 2.997 1.00 0.00 H new ATOM 0 HE1 MET A 114 18.002 3.384 5.998 1.00 0.00 H new ATOM 0 HE2 MET A 114 18.194 2.514 4.457 1.00 0.00 H new ATOM 0 HE3 MET A 114 17.489 4.148 4.474 1.00 0.00 H new ATOM 1717 N GLN A 115 15.102 -0.080 0.866 1.00 0.00 N ATOM 1718 CA GLN A 115 16.194 -0.361 -0.142 1.00 0.00 C ATOM 1719 C GLN A 115 15.693 -0.027 -1.539 1.00 0.00 C ATOM 1720 O GLN A 115 16.455 0.425 -2.403 1.00 0.00 O ATOM 1721 CB GLN A 115 16.729 -1.821 -0.169 1.00 0.00 C ATOM 1722 CG GLN A 115 17.225 -2.403 1.147 1.00 0.00 C ATOM 1723 CD GLN A 115 16.116 -2.677 2.118 1.00 0.00 C ATOM 1724 OE1 GLN A 115 14.929 -2.912 1.591 1.00 0.00 O flip ATOM 1725 NE2 GLN A 115 16.310 -2.646 3.326 1.00 0.00 N flip ATOM 0 H GLN A 115 14.787 -0.877 1.419 1.00 0.00 H new ATOM 0 HA GLN A 115 17.027 0.267 0.175 1.00 0.00 H new ATOM 0 HB2 GLN A 115 15.935 -2.465 -0.546 1.00 0.00 H new ATOM 0 HB3 GLN A 115 17.546 -1.868 -0.889 1.00 0.00 H new ATOM 0 HG2 GLN A 115 17.765 -3.329 0.949 1.00 0.00 H new ATOM 0 HG3 GLN A 115 17.935 -1.711 1.600 1.00 0.00 H new ATOM 0 HE21 GLN A 115 17.245 -2.460 3.688 1.00 0.00 H new ATOM 0 HE22 GLN A 115 15.536 -2.806 3.971 1.00 0.00 H new ATOM 1734 N TYR A 116 14.402 -0.250 -1.723 1.00 0.00 N ATOM 1735 CA TYR A 116 13.668 0.062 -2.902 1.00 0.00 C ATOM 1736 C TYR A 116 14.126 -0.778 -4.071 1.00 0.00 C ATOM 1737 O TYR A 116 14.996 -0.397 -4.859 1.00 0.00 O ATOM 1738 CB TYR A 116 13.688 1.564 -3.194 1.00 0.00 C ATOM 1739 CG TYR A 116 12.857 1.987 -4.373 1.00 0.00 C ATOM 1740 CD1 TYR A 116 11.497 1.745 -4.401 1.00 0.00 C ATOM 1741 CD2 TYR A 116 13.429 2.647 -5.446 1.00 0.00 C ATOM 1742 CE1 TYR A 116 10.732 2.146 -5.468 1.00 0.00 C ATOM 1743 CE2 TYR A 116 12.667 3.048 -6.518 1.00 0.00 C ATOM 1744 CZ TYR A 116 11.317 2.796 -6.520 1.00 0.00 C ATOM 1745 OH TYR A 116 10.542 3.204 -7.581 1.00 0.00 O ATOM 0 H TYR A 116 13.821 -0.678 -1.003 1.00 0.00 H new ATOM 0 HA TYR A 116 12.623 -0.197 -2.731 1.00 0.00 H new ATOM 0 HB2 TYR A 116 13.337 2.097 -2.310 1.00 0.00 H new ATOM 0 HB3 TYR A 116 14.719 1.873 -3.364 1.00 0.00 H new ATOM 0 HD1 TYR A 116 11.030 1.234 -3.573 1.00 0.00 H new ATOM 0 HD2 TYR A 116 14.490 2.850 -5.442 1.00 0.00 H new ATOM 0 HE1 TYR A 116 9.670 1.949 -5.477 1.00 0.00 H new ATOM 0 HE2 TYR A 116 13.127 3.557 -7.352 1.00 0.00 H new ATOM 0 HH TYR A 116 11.107 3.651 -8.246 1.00 0.00 H new ATOM 1755 N ASP A 117 13.610 -1.950 -4.116 1.00 0.00 N ATOM 1756 CA ASP A 117 13.866 -2.858 -5.198 1.00 0.00 C ATOM 1757 C ASP A 117 12.744 -2.707 -6.161 1.00 0.00 C ATOM 1758 O ASP A 117 11.596 -2.733 -5.728 1.00 0.00 O ATOM 1759 CB ASP A 117 13.922 -4.305 -4.698 1.00 0.00 C ATOM 1760 CG ASP A 117 15.031 -4.549 -3.715 1.00 0.00 C ATOM 1761 OD1 ASP A 117 16.206 -4.622 -4.137 1.00 0.00 O ATOM 1762 OD2 ASP A 117 14.752 -4.681 -2.497 1.00 0.00 O ATOM 0 H ASP A 117 12.988 -2.322 -3.398 1.00 0.00 H new ATOM 0 HA ASP A 117 14.827 -2.633 -5.661 1.00 0.00 H new ATOM 0 HB2 ASP A 117 12.970 -4.559 -4.232 1.00 0.00 H new ATOM 0 HB3 ASP A 117 14.047 -4.973 -5.550 1.00 0.00 H new ATOM 1767 N PRO A 118 13.031 -2.493 -7.467 1.00 0.00 N ATOM 1768 CA PRO A 118 11.982 -2.332 -8.486 1.00 0.00 C ATOM 1769 C PRO A 118 10.973 -3.471 -8.426 1.00 0.00 C ATOM 1770 O PRO A 118 9.778 -3.224 -8.271 1.00 0.00 O ATOM 1771 CB PRO A 118 12.752 -2.373 -9.806 1.00 0.00 C ATOM 1772 CG PRO A 118 14.129 -1.921 -9.461 1.00 0.00 C ATOM 1773 CD PRO A 118 14.384 -2.359 -8.044 1.00 0.00 C ATOM 0 HA PRO A 118 11.408 -1.416 -8.350 1.00 0.00 H new ATOM 0 HB2 PRO A 118 12.760 -3.378 -10.227 1.00 0.00 H new ATOM 0 HB3 PRO A 118 12.296 -1.719 -10.550 1.00 0.00 H new ATOM 0 HG2 PRO A 118 14.862 -2.358 -10.139 1.00 0.00 H new ATOM 0 HG3 PRO A 118 14.216 -0.838 -9.553 1.00 0.00 H new ATOM 0 HD2 PRO A 118 14.929 -3.302 -8.009 1.00 0.00 H new ATOM 0 HD3 PRO A 118 14.980 -1.626 -7.500 1.00 0.00 H new ATOM 1781 N GLY A 119 11.466 -4.718 -8.568 1.00 0.00 N ATOM 1782 CA GLY A 119 10.639 -5.901 -8.373 1.00 0.00 C ATOM 1783 C GLY A 119 9.760 -5.833 -7.149 1.00 0.00 C ATOM 1784 O GLY A 119 8.552 -5.954 -7.261 1.00 0.00 O ATOM 0 H GLY A 119 12.434 -4.920 -8.817 1.00 0.00 H new ATOM 0 HA2 GLY A 119 10.011 -6.043 -9.253 1.00 0.00 H new ATOM 0 HA3 GLY A 119 11.285 -6.776 -8.297 1.00 0.00 H new ATOM 1788 N LEU A 120 10.359 -5.632 -5.985 1.00 0.00 N ATOM 1789 CA LEU A 120 9.595 -5.523 -4.742 1.00 0.00 C ATOM 1790 C LEU A 120 8.561 -4.393 -4.788 1.00 0.00 C ATOM 1791 O LEU A 120 7.433 -4.588 -4.360 1.00 0.00 O ATOM 1792 CB LEU A 120 10.512 -5.338 -3.546 1.00 0.00 C ATOM 1793 CG LEU A 120 9.824 -5.227 -2.190 1.00 0.00 C ATOM 1794 CD1 LEU A 120 9.055 -6.502 -1.848 1.00 0.00 C ATOM 1795 CD2 LEU A 120 10.835 -4.889 -1.121 1.00 0.00 C ATOM 0 H LEU A 120 11.368 -5.541 -5.870 1.00 0.00 H new ATOM 0 HA LEU A 120 9.054 -6.463 -4.632 1.00 0.00 H new ATOM 0 HB2 LEU A 120 11.206 -6.178 -3.512 1.00 0.00 H new ATOM 0 HB3 LEU A 120 11.107 -4.439 -3.705 1.00 0.00 H new ATOM 0 HG LEU A 120 9.094 -4.419 -2.240 1.00 0.00 H new ATOM 0 HD11 LEU A 120 8.577 -6.389 -0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 120 8.294 -6.683 -2.607 1.00 0.00 H new ATOM 0 HD13 LEU A 120 9.745 -7.346 -1.817 1.00 0.00 H new ATOM 0 HD21 LEU A 120 10.333 -4.812 -0.157 1.00 0.00 H new ATOM 0 HD22 LEU A 120 11.591 -5.672 -1.075 1.00 0.00 H new ATOM 0 HD23 LEU A 120 11.312 -3.938 -1.359 1.00 0.00 H new ATOM 1807 N PHE A 121 8.954 -3.221 -5.298 1.00 0.00 N ATOM 1808 CA PHE A 121 8.025 -2.098 -5.442 1.00 0.00 C ATOM 1809 C PHE A 121 6.823 -2.494 -6.327 1.00 0.00 C ATOM 1810 O PHE A 121 5.677 -2.137 -6.042 1.00 0.00 O ATOM 1811 CB PHE A 121 8.736 -0.835 -5.979 1.00 0.00 C ATOM 1812 CG PHE A 121 7.827 0.358 -6.116 1.00 0.00 C ATOM 1813 CD1 PHE A 121 7.388 1.039 -4.992 1.00 0.00 C ATOM 1814 CD2 PHE A 121 7.415 0.796 -7.364 1.00 0.00 C ATOM 1815 CE1 PHE A 121 6.554 2.128 -5.108 1.00 0.00 C ATOM 1816 CE2 PHE A 121 6.582 1.886 -7.487 1.00 0.00 C ATOM 1817 CZ PHE A 121 6.148 2.554 -6.358 1.00 0.00 C ATOM 0 H PHE A 121 9.904 -3.027 -5.616 1.00 0.00 H new ATOM 0 HA PHE A 121 7.644 -1.850 -4.451 1.00 0.00 H new ATOM 0 HB2 PHE A 121 9.558 -0.580 -5.311 1.00 0.00 H new ATOM 0 HB3 PHE A 121 9.174 -1.061 -6.951 1.00 0.00 H new ATOM 0 HD1 PHE A 121 7.704 0.711 -4.013 1.00 0.00 H new ATOM 0 HD2 PHE A 121 7.751 0.277 -8.250 1.00 0.00 H new ATOM 0 HE1 PHE A 121 6.218 2.648 -4.223 1.00 0.00 H new ATOM 0 HE2 PHE A 121 6.268 2.218 -8.465 1.00 0.00 H new ATOM 0 HZ PHE A 121 5.493 3.407 -6.452 1.00 0.00 H new ATOM 1827 N ALA A 122 7.091 -3.264 -7.355 1.00 0.00 N ATOM 1828 CA ALA A 122 6.052 -3.758 -8.221 1.00 0.00 C ATOM 1829 C ALA A 122 5.174 -4.766 -7.481 1.00 0.00 C ATOM 1830 O ALA A 122 3.934 -4.676 -7.538 1.00 0.00 O ATOM 1831 CB ALA A 122 6.650 -4.367 -9.471 1.00 0.00 C ATOM 0 H ALA A 122 8.032 -3.563 -7.612 1.00 0.00 H new ATOM 0 HA ALA A 122 5.422 -2.922 -8.523 1.00 0.00 H new ATOM 0 HB1 ALA A 122 5.851 -4.735 -10.114 1.00 0.00 H new ATOM 0 HB2 ALA A 122 7.226 -3.611 -10.004 1.00 0.00 H new ATOM 0 HB3 ALA A 122 7.304 -5.194 -9.196 1.00 0.00 H new ATOM 1837 N GLN A 123 5.817 -5.722 -6.774 1.00 0.00 N ATOM 1838 CA GLN A 123 5.116 -6.731 -5.975 1.00 0.00 C ATOM 1839 C GLN A 123 4.164 -6.077 -5.004 1.00 0.00 C ATOM 1840 O GLN A 123 2.972 -6.377 -4.996 1.00 0.00 O ATOM 1841 CB GLN A 123 6.101 -7.580 -5.166 1.00 0.00 C ATOM 1842 CG GLN A 123 7.128 -8.339 -5.976 1.00 0.00 C ATOM 1843 CD GLN A 123 6.510 -9.235 -7.013 1.00 0.00 C ATOM 1844 OE1 GLN A 123 6.316 -8.850 -8.166 1.00 0.00 O ATOM 1845 NE2 GLN A 123 6.160 -10.412 -6.617 1.00 0.00 N ATOM 0 H GLN A 123 6.833 -5.809 -6.746 1.00 0.00 H new ATOM 0 HA GLN A 123 4.569 -7.364 -6.674 1.00 0.00 H new ATOM 0 HB2 GLN A 123 6.625 -6.929 -4.467 1.00 0.00 H new ATOM 0 HB3 GLN A 123 5.533 -8.295 -4.571 1.00 0.00 H new ATOM 0 HG2 GLN A 123 7.793 -7.629 -6.467 1.00 0.00 H new ATOM 0 HG3 GLN A 123 7.742 -8.939 -5.304 1.00 0.00 H new ATOM 0 HE21 GLN A 123 6.336 -10.699 -5.654 1.00 0.00 H new ATOM 0 HE22 GLN A 123 5.708 -11.055 -7.267 1.00 0.00 H new ATOM 1854 N ILE A 124 4.695 -5.149 -4.208 1.00 0.00 N ATOM 1855 CA ILE A 124 3.919 -4.485 -3.190 1.00 0.00 C ATOM 1856 C ILE A 124 2.770 -3.695 -3.779 1.00 0.00 C ATOM 1857 O ILE A 124 1.663 -3.776 -3.285 1.00 0.00 O ATOM 1858 CB ILE A 124 4.773 -3.608 -2.190 1.00 0.00 C ATOM 1859 CG1 ILE A 124 5.503 -2.485 -2.900 1.00 0.00 C ATOM 1860 CG2 ILE A 124 5.783 -4.475 -1.442 1.00 0.00 C ATOM 1861 CD1 ILE A 124 6.196 -1.500 -1.977 1.00 0.00 C ATOM 0 H ILE A 124 5.668 -4.846 -4.259 1.00 0.00 H new ATOM 0 HA ILE A 124 3.502 -5.290 -2.586 1.00 0.00 H new ATOM 0 HB ILE A 124 4.074 -3.165 -1.481 1.00 0.00 H new ATOM 0 HG12 ILE A 124 6.245 -2.918 -3.571 1.00 0.00 H new ATOM 0 HG13 ILE A 124 4.791 -1.942 -3.521 1.00 0.00 H new ATOM 0 HG21 ILE A 124 6.361 -3.853 -0.759 1.00 0.00 H new ATOM 0 HG22 ILE A 124 5.255 -5.242 -0.876 1.00 0.00 H new ATOM 0 HG23 ILE A 124 6.455 -4.950 -2.157 1.00 0.00 H new ATOM 0 HD11 ILE A 124 6.692 -0.732 -2.571 1.00 0.00 H new ATOM 0 HD12 ILE A 124 5.459 -1.034 -1.323 1.00 0.00 H new ATOM 0 HD13 ILE A 124 6.936 -2.026 -1.373 1.00 0.00 H new ATOM 1873 N GLN A 125 3.007 -3.008 -4.879 1.00 0.00 N ATOM 1874 CA GLN A 125 1.982 -2.173 -5.471 1.00 0.00 C ATOM 1875 C GLN A 125 0.848 -3.015 -6.045 1.00 0.00 C ATOM 1876 O GLN A 125 -0.340 -2.813 -5.709 1.00 0.00 O ATOM 1877 CB GLN A 125 2.557 -1.306 -6.573 1.00 0.00 C ATOM 1878 CG GLN A 125 1.683 -0.121 -6.873 1.00 0.00 C ATOM 1879 CD GLN A 125 2.143 0.701 -8.058 1.00 0.00 C ATOM 1880 OE1 GLN A 125 3.322 0.723 -8.416 1.00 0.00 O ATOM 1881 NE2 GLN A 125 1.236 1.449 -8.625 1.00 0.00 N ATOM 0 H GLN A 125 3.896 -3.011 -5.379 1.00 0.00 H new ATOM 0 HA GLN A 125 1.590 -1.537 -4.677 1.00 0.00 H new ATOM 0 HB2 GLN A 125 3.549 -0.960 -6.282 1.00 0.00 H new ATOM 0 HB3 GLN A 125 2.680 -1.903 -7.477 1.00 0.00 H new ATOM 0 HG2 GLN A 125 0.667 -0.470 -7.059 1.00 0.00 H new ATOM 0 HG3 GLN A 125 1.644 0.520 -5.993 1.00 0.00 H new ATOM 0 HE21 GLN A 125 0.268 1.408 -8.305 1.00 0.00 H new ATOM 0 HE22 GLN A 125 1.495 2.075 -9.388 1.00 0.00 H new ATOM 1890 N ALA A 126 1.224 -3.973 -6.878 1.00 0.00 N ATOM 1891 CA ALA A 126 0.279 -4.813 -7.579 1.00 0.00 C ATOM 1892 C ALA A 126 -0.548 -5.660 -6.626 1.00 0.00 C ATOM 1893 O ALA A 126 -1.789 -5.688 -6.727 1.00 0.00 O ATOM 1894 CB ALA A 126 0.998 -5.691 -8.587 1.00 0.00 C ATOM 0 H ALA A 126 2.200 -4.187 -7.084 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.411 -4.157 -8.109 1.00 0.00 H new ATOM 0 HB1 ALA A 126 0.273 -6.317 -9.106 1.00 0.00 H new ATOM 0 HB2 ALA A 126 1.519 -5.063 -9.310 1.00 0.00 H new ATOM 0 HB3 ALA A 126 1.719 -6.324 -8.069 1.00 0.00 H new ATOM 1900 N ALA A 127 0.120 -6.328 -5.691 1.00 0.00 N ATOM 1901 CA ALA A 127 -0.555 -7.198 -4.748 1.00 0.00 C ATOM 1902 C ALA A 127 -1.463 -6.409 -3.820 1.00 0.00 C ATOM 1903 O ALA A 127 -2.567 -6.887 -3.461 1.00 0.00 O ATOM 1904 CB ALA A 127 0.443 -8.011 -3.941 1.00 0.00 C ATOM 0 H ALA A 127 1.132 -6.280 -5.570 1.00 0.00 H new ATOM 0 HA ALA A 127 -1.172 -7.885 -5.326 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -0.092 -8.654 -3.242 1.00 0.00 H new ATOM 0 HB2 ALA A 127 1.041 -8.625 -4.614 1.00 0.00 H new ATOM 0 HB3 ALA A 127 1.097 -7.338 -3.387 1.00 0.00 H new ATOM 1910 N ALA A 128 -1.028 -5.193 -3.457 1.00 0.00 N ATOM 1911 CA ALA A 128 -1.807 -4.364 -2.577 1.00 0.00 C ATOM 1912 C ALA A 128 -3.141 -4.048 -3.185 1.00 0.00 C ATOM 1913 O ALA A 128 -4.096 -4.520 -2.708 1.00 0.00 O ATOM 1914 CB ALA A 128 -1.091 -3.078 -2.219 1.00 0.00 C ATOM 0 H ALA A 128 -0.147 -4.781 -3.765 1.00 0.00 H new ATOM 0 HA ALA A 128 -1.954 -4.932 -1.659 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -1.718 -2.485 -1.553 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -0.151 -3.312 -1.719 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.888 -2.510 -3.127 1.00 0.00 H new ATOM 1920 N THR A 129 -3.180 -3.352 -4.301 1.00 0.00 N ATOM 1921 CA THR A 129 -4.492 -2.988 -4.893 1.00 0.00 C ATOM 1922 C THR A 129 -5.347 -4.236 -5.281 1.00 0.00 C ATOM 1923 O THR A 129 -6.620 -4.196 -5.213 1.00 0.00 O ATOM 1924 CB THR A 129 -4.365 -1.966 -6.076 1.00 0.00 C ATOM 1925 OG1 THR A 129 -5.631 -1.761 -6.747 1.00 0.00 O ATOM 1926 CG2 THR A 129 -3.285 -2.369 -7.072 1.00 0.00 C ATOM 0 H THR A 129 -2.362 -3.027 -4.817 1.00 0.00 H new ATOM 0 HA THR A 129 -5.038 -2.474 -4.102 1.00 0.00 H new ATOM 0 HB THR A 129 -4.063 -1.018 -5.631 1.00 0.00 H new ATOM 0 HG1 THR A 129 -5.472 -1.390 -7.640 1.00 0.00 H new ATOM 0 HG21 THR A 129 -3.235 -1.631 -7.873 1.00 0.00 H new ATOM 0 HG22 THR A 129 -2.322 -2.419 -6.564 1.00 0.00 H new ATOM 0 HG23 THR A 129 -3.524 -3.345 -7.493 1.00 0.00 H new ATOM 1934 N LYS A 130 -4.646 -5.364 -5.536 1.00 0.00 N ATOM 1935 CA LYS A 130 -5.253 -6.617 -5.972 1.00 0.00 C ATOM 1936 C LYS A 130 -6.174 -7.101 -4.869 1.00 0.00 C ATOM 1937 O LYS A 130 -7.171 -7.765 -5.095 1.00 0.00 O ATOM 1938 CB LYS A 130 -4.131 -7.629 -6.231 1.00 0.00 C ATOM 1939 CG LYS A 130 -4.551 -8.967 -6.784 1.00 0.00 C ATOM 1940 CD LYS A 130 -5.192 -8.851 -8.144 1.00 0.00 C ATOM 1941 CE LYS A 130 -5.462 -10.225 -8.735 1.00 0.00 C ATOM 1942 NZ LYS A 130 -6.317 -11.063 -7.865 1.00 0.00 N ATOM 0 H LYS A 130 -3.632 -5.418 -5.440 1.00 0.00 H new ATOM 0 HA LYS A 130 -5.830 -6.488 -6.888 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -3.420 -7.181 -6.924 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -3.600 -7.798 -5.294 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -3.680 -9.619 -6.850 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -5.251 -9.439 -6.094 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -6.126 -8.295 -8.064 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -4.541 -8.286 -8.810 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -5.942 -10.110 -9.707 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -4.514 -10.735 -8.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -6.609 -11.916 -8.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -5.783 -11.339 -7.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -7.160 -10.523 -7.584 1.00 0.00 H new ATOM 1956 N ALA A 131 -5.768 -6.801 -3.689 1.00 0.00 N ATOM 1957 CA ALA A 131 -6.507 -6.954 -2.494 1.00 0.00 C ATOM 1958 C ALA A 131 -7.402 -5.732 -2.289 1.00 0.00 C ATOM 1959 O ALA A 131 -8.638 -5.836 -2.357 1.00 0.00 O ATOM 1960 CB ALA A 131 -5.472 -7.054 -1.436 1.00 0.00 C ATOM 0 H ALA A 131 -4.839 -6.413 -3.524 1.00 0.00 H new ATOM 0 HA ALA A 131 -7.164 -7.824 -2.496 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -5.954 -7.176 -0.466 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -4.832 -7.914 -1.634 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.869 -6.146 -1.430 1.00 0.00 H new ATOM 1966 N TRP A 132 -6.754 -4.573 -2.184 1.00 0.00 N ATOM 1967 CA TRP A 132 -7.314 -3.275 -1.793 1.00 0.00 C ATOM 1968 C TRP A 132 -8.267 -2.654 -2.825 1.00 0.00 C ATOM 1969 O TRP A 132 -8.323 -1.450 -2.976 1.00 0.00 O ATOM 1970 CB TRP A 132 -6.234 -2.228 -1.404 1.00 0.00 C ATOM 1971 CG TRP A 132 -5.276 -2.659 -0.340 1.00 0.00 C ATOM 1972 CD1 TRP A 132 -4.962 -3.910 -0.049 1.00 0.00 C ATOM 1973 CD2 TRP A 132 -4.501 -1.850 0.566 1.00 0.00 C ATOM 1974 NE1 TRP A 132 -4.003 -3.978 0.839 1.00 0.00 N ATOM 1975 CE2 TRP A 132 -3.693 -2.743 1.270 1.00 0.00 C ATOM 1976 CE3 TRP A 132 -4.369 -0.480 0.841 1.00 0.00 C ATOM 1977 CZ2 TRP A 132 -2.775 -2.336 2.202 1.00 0.00 C ATOM 1978 CZ3 TRP A 132 -3.462 -0.108 1.776 1.00 0.00 C ATOM 1979 CH2 TRP A 132 -2.674 -1.033 2.430 1.00 0.00 C ATOM 0 H TRP A 132 -5.756 -4.509 -2.383 1.00 0.00 H new ATOM 0 HA TRP A 132 -7.901 -3.523 -0.909 1.00 0.00 H new ATOM 0 HB2 TRP A 132 -5.666 -1.968 -2.297 1.00 0.00 H new ATOM 0 HB3 TRP A 132 -6.736 -1.320 -1.071 1.00 0.00 H new ATOM 0 HD1 TRP A 132 -5.439 -4.772 -0.491 1.00 0.00 H new ATOM 0 HE1 TRP A 132 -3.558 -4.839 1.156 1.00 0.00 H new ATOM 0 HE3 TRP A 132 -4.971 0.253 0.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 -2.158 -3.048 2.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 -3.353 0.939 2.016 1.00 0.00 H new ATOM 0 HH2 TRP A 132 -1.950 -0.684 3.152 1.00 0.00 H new ATOM 1990 N ARG A 133 -8.929 -3.443 -3.573 1.00 0.00 N ATOM 1991 CA ARG A 133 -9.977 -2.915 -4.431 1.00 0.00 C ATOM 1992 C ARG A 133 -11.443 -3.340 -4.178 1.00 0.00 C ATOM 1993 O ARG A 133 -12.319 -2.539 -4.199 1.00 0.00 O ATOM 1994 CB ARG A 133 -9.588 -2.943 -5.931 1.00 0.00 C ATOM 1995 CG ARG A 133 -10.761 -2.803 -6.938 1.00 0.00 C ATOM 1996 CD ARG A 133 -11.514 -4.120 -7.145 1.00 0.00 C ATOM 1997 NE ARG A 133 -12.986 -3.938 -7.309 1.00 0.00 N ATOM 1998 CZ ARG A 133 -13.751 -4.584 -8.215 1.00 0.00 C ATOM 1999 NH1 ARG A 133 -13.203 -5.251 -9.216 1.00 0.00 N ATOM 2000 NH2 ARG A 133 -15.073 -4.516 -8.127 1.00 0.00 N ATOM 0 H ARG A 133 -8.787 -4.452 -3.629 1.00 0.00 H new ATOM 0 HA ARG A 133 -10.015 -1.879 -4.093 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -8.877 -2.138 -6.117 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -9.070 -3.880 -6.135 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -11.455 -2.043 -6.579 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -10.374 -2.454 -7.896 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -11.117 -4.623 -8.026 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -11.328 -4.775 -6.293 1.00 0.00 H new ATOM 0 HE ARG A 133 -13.450 -3.274 -6.689 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -12.188 -5.283 -9.312 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -13.795 -5.734 -9.892 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -15.507 -3.977 -7.377 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -15.655 -5.002 -8.809 1.00 0.00 H new ATOM 2014 N LYS A 134 -11.654 -4.568 -3.956 1.00 0.00 N ATOM 2015 CA LYS A 134 -12.956 -5.205 -4.299 1.00 0.00 C ATOM 2016 C LYS A 134 -14.224 -5.162 -3.379 1.00 0.00 C ATOM 2017 O LYS A 134 -15.108 -5.980 -3.613 1.00 0.00 O ATOM 2018 CB LYS A 134 -12.644 -6.605 -4.649 1.00 0.00 C ATOM 2019 CG LYS A 134 -12.147 -7.318 -3.468 1.00 0.00 C ATOM 2020 CD LYS A 134 -11.419 -8.538 -3.801 1.00 0.00 C ATOM 2021 CE LYS A 134 -10.069 -8.204 -4.352 1.00 0.00 C ATOM 2022 NZ LYS A 134 -9.369 -9.388 -4.862 1.00 0.00 N ATOM 0 H LYS A 134 -10.971 -5.199 -3.538 1.00 0.00 H new ATOM 0 HA LYS A 134 -13.328 -4.541 -5.080 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -13.536 -7.100 -5.034 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -11.897 -6.632 -5.442 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -11.494 -6.656 -2.899 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -12.988 -7.569 -2.822 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -11.313 -9.160 -2.912 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -11.983 -9.119 -4.531 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -10.177 -7.474 -5.154 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -9.467 -7.735 -3.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -8.365 -9.160 -5.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -9.449 -10.162 -4.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -9.796 -9.682 -5.764 1.00 0.00 H new ATOM 2036 N LEU A 135 -14.392 -4.281 -2.428 1.00 0.00 N ATOM 2037 CA LEU A 135 -15.707 -4.323 -1.716 1.00 0.00 C ATOM 2038 C LEU A 135 -16.767 -3.384 -2.328 1.00 0.00 C ATOM 2039 O LEU A 135 -16.654 -2.160 -2.225 1.00 0.00 O ATOM 2040 CB LEU A 135 -15.682 -4.292 -0.140 1.00 0.00 C ATOM 2041 CG LEU A 135 -14.720 -3.365 0.609 1.00 0.00 C ATOM 2042 CD1 LEU A 135 -13.300 -3.809 0.477 1.00 0.00 C ATOM 2043 CD2 LEU A 135 -14.863 -1.953 0.181 1.00 0.00 C ATOM 0 H LEU A 135 -13.723 -3.574 -2.125 1.00 0.00 H new ATOM 0 HA LEU A 135 -16.030 -5.345 -1.914 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -16.690 -4.044 0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -15.476 -5.308 0.197 1.00 0.00 H new ATOM 0 HG LEU A 135 -14.995 -3.426 1.662 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -12.652 -3.123 1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -13.193 -4.813 0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -13.017 -3.815 -0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -14.162 -1.331 0.738 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -14.651 -1.873 -0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -15.881 -1.615 0.375 1.00 0.00 H new ATOM 2055 N PRO A 136 -17.817 -3.939 -2.999 1.00 0.00 N ATOM 2056 CA PRO A 136 -18.832 -3.118 -3.681 1.00 0.00 C ATOM 2057 C PRO A 136 -19.634 -2.330 -2.671 1.00 0.00 C ATOM 2058 O PRO A 136 -19.819 -1.119 -2.790 1.00 0.00 O ATOM 2059 CB PRO A 136 -19.719 -4.162 -4.403 1.00 0.00 C ATOM 2060 CG PRO A 136 -18.903 -5.417 -4.403 1.00 0.00 C ATOM 2061 CD PRO A 136 -18.131 -5.380 -3.119 1.00 0.00 C ATOM 0 HA PRO A 136 -18.405 -2.386 -4.366 1.00 0.00 H new ATOM 0 HB2 PRO A 136 -20.666 -4.305 -3.883 1.00 0.00 H new ATOM 0 HB3 PRO A 136 -19.958 -3.845 -5.418 1.00 0.00 H new ATOM 0 HG2 PRO A 136 -19.539 -6.301 -4.455 1.00 0.00 H new ATOM 0 HG3 PRO A 136 -18.235 -5.453 -5.264 1.00 0.00 H new ATOM 0 HD2 PRO A 136 -18.720 -5.742 -2.277 1.00 0.00 H new ATOM 0 HD3 PRO A 136 -17.231 -5.993 -3.165 1.00 0.00 H new ATOM 2069 N VAL A 137 -20.089 -3.034 -1.689 1.00 0.00 N ATOM 2070 CA VAL A 137 -20.778 -2.461 -0.582 1.00 0.00 C ATOM 2071 C VAL A 137 -19.756 -1.822 0.365 1.00 0.00 C ATOM 2072 O VAL A 137 -18.781 -2.470 0.763 1.00 0.00 O ATOM 2073 CB VAL A 137 -21.674 -3.522 0.144 1.00 0.00 C ATOM 2074 CG1 VAL A 137 -20.869 -4.758 0.519 1.00 0.00 C ATOM 2075 CG2 VAL A 137 -22.350 -2.929 1.377 1.00 0.00 C ATOM 0 H VAL A 137 -19.990 -4.048 -1.633 1.00 0.00 H new ATOM 0 HA VAL A 137 -21.456 -1.685 -0.938 1.00 0.00 H new ATOM 0 HB VAL A 137 -22.453 -3.822 -0.556 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -21.517 -5.476 1.021 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -20.456 -5.211 -0.383 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -20.056 -4.474 1.187 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -22.964 -3.691 1.857 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -21.590 -2.581 2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -22.980 -2.091 1.079 1.00 0.00 H new ATOM 2085 N LYS A 138 -19.942 -0.519 0.639 1.00 0.00 N ATOM 2086 CA LYS A 138 -19.074 0.237 1.576 1.00 0.00 C ATOM 2087 C LYS A 138 -18.832 -0.529 2.873 1.00 0.00 C ATOM 2088 O LYS A 138 -17.722 -0.553 3.402 1.00 0.00 O ATOM 2089 CB LYS A 138 -19.645 1.623 1.920 1.00 0.00 C ATOM 2090 CG LYS A 138 -19.613 2.685 0.812 1.00 0.00 C ATOM 2091 CD LYS A 138 -20.635 2.460 -0.295 1.00 0.00 C ATOM 2092 CE LYS A 138 -20.595 3.608 -1.296 1.00 0.00 C ATOM 2093 NZ LYS A 138 -21.622 3.494 -2.362 1.00 0.00 N ATOM 0 H LYS A 138 -20.688 0.040 0.225 1.00 0.00 H new ATOM 0 HA LYS A 138 -18.128 0.368 1.051 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -20.680 1.494 2.236 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -19.096 2.012 2.778 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -19.786 3.665 1.258 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -18.616 2.706 0.372 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -20.428 1.518 -0.804 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -21.634 2.378 0.134 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -20.736 4.549 -0.765 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -19.607 3.646 -1.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -21.645 4.373 -2.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -21.388 2.696 -2.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -22.554 3.333 -1.930 1.00 0.00 H new ATOM 2107 N GLY A 139 -19.865 -1.153 3.362 1.00 0.00 N ATOM 2108 CA GLY A 139 -19.771 -1.947 4.555 1.00 0.00 C ATOM 2109 C GLY A 139 -21.092 -2.011 5.232 1.00 0.00 C ATOM 2110 O GLY A 139 -21.469 -3.039 5.807 1.00 0.00 O ATOM 0 H GLY A 139 -20.796 -1.126 2.946 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -19.432 -2.953 4.306 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -19.029 -1.519 5.229 1.00 0.00 H new ATOM 2114 N ASP A 140 -21.808 -0.927 5.123 1.00 0.00 N ATOM 2115 CA ASP A 140 -23.125 -0.769 5.671 1.00 0.00 C ATOM 2116 C ASP A 140 -23.833 0.241 4.816 1.00 0.00 C ATOM 2117 O ASP A 140 -23.417 1.411 4.814 1.00 0.00 O ATOM 2118 CB ASP A 140 -23.087 -0.309 7.131 1.00 0.00 C ATOM 2119 CG ASP A 140 -24.474 -0.114 7.716 1.00 0.00 C ATOM 2120 OD1 ASP A 140 -25.238 -1.103 7.802 1.00 0.00 O ATOM 2121 OD2 ASP A 140 -24.807 1.015 8.153 1.00 0.00 O ATOM 2122 OXT ASP A 140 -24.761 -0.124 4.092 1.00 0.00 O ATOM 0 H ASP A 140 -21.477 -0.097 4.631 1.00 0.00 H new ATOM 0 HA ASP A 140 -23.647 -1.726 5.669 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -22.545 -1.044 7.726 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -22.533 0.627 7.199 1.00 0.00 H new TER 2127 ASP A 140