USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 812 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 94 GLN : amide:sc= -0.404 K(o=-0.4,f=-2.6!) USER MOD Set 1.2: A 98 GLN : amide:sc= 0 X(o=-0.4,f=-0.4) USER MOD Set 2.1: A 67 THR OG1 : rot -115:sc= -0.163 USER MOD Set 2.2: A 69 SER OG : rot 180:sc= 0.29 USER MOD Set 3.1: A 49 TYR OH : rot 58:sc= 1.24 USER MOD Set 3.2: A 70 GLN : amide:sc= 1.04 X(o=2.3,f=2.6) USER MOD Set 4.1: A 46 GLN : amide:sc= 0.755 K(o=1,f=-3.2!) USER MOD Set 4.2: A 48 TYR OH : rot 180:sc= 0.282 USER MOD Single : A 1 GLU N :NH3+ 153:sc= 0.0246 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -0.0267 X(o=-0.027,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -125:sc= 1.13 (180deg=-0.0785) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 26 LYS NZ :NH3+ -117:sc= 0 (180deg=-0.168) USER MOD Single : A 27 THR OG1 : rot 62:sc= 1.06 USER MOD Single : A 32 HIS : no HD1:sc= -1.66 K(o=-1.7,f=-1.1) USER MOD Single : A 35 LYS NZ :NH3+ 156:sc= 1.93 (180deg=-0.53) USER MOD Single : A 37 THR OG1 : rot -128:sc= 0.0266 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc=-0.00133 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -110:sc= -0.593 (180deg=-5.07!) USER MOD Single : A 59 THR OG1 : rot -160:sc= -0.0917 USER MOD Single : A 66 SER OG : rot 180:sc= -0.399 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 83:sc= -0.269 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.981 X(o=-0.98,f=-0.5) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0.22) USER MOD Single : A 101 SER OG : rot -52:sc= 0.737 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 20.172 14.937 12.762 1.00 0.00 N ATOM 2 CA GLU A 1 18.984 14.705 11.885 1.00 0.00 C ATOM 3 C GLU A 1 17.727 15.311 12.519 1.00 0.00 C ATOM 4 O GLU A 1 17.636 15.451 13.724 1.00 0.00 O ATOM 5 CB GLU A 1 18.849 13.182 11.787 1.00 0.00 C ATOM 6 CG GLU A 1 19.325 12.712 10.409 1.00 0.00 C ATOM 7 CD GLU A 1 19.162 11.195 10.303 1.00 0.00 C ATOM 8 OE1 GLU A 1 18.029 10.746 10.221 1.00 0.00 O ATOM 9 OE2 GLU A 1 20.170 10.507 10.306 1.00 0.00 O ATOM 0 H1 GLU A 1 20.875 14.188 12.600 1.00 0.00 H new ATOM 0 H2 GLU A 1 20.593 15.861 12.539 1.00 0.00 H new ATOM 0 H3 GLU A 1 19.876 14.924 13.759 1.00 0.00 H new ATOM 0 HA GLU A 1 19.103 15.169 10.906 1.00 0.00 H new ATOM 0 HB2 GLU A 1 19.438 12.703 12.569 1.00 0.00 H new ATOM 0 HB3 GLU A 1 17.811 12.888 11.944 1.00 0.00 H new ATOM 0 HG2 GLU A 1 18.750 13.206 9.626 1.00 0.00 H new ATOM 0 HG3 GLU A 1 20.369 12.988 10.260 1.00 0.00 H new ATOM 18 N ALA A 2 16.756 15.668 11.714 1.00 0.00 N ATOM 19 CA ALA A 2 15.499 16.263 12.263 1.00 0.00 C ATOM 20 C ALA A 2 14.327 15.291 12.068 1.00 0.00 C ATOM 21 O ALA A 2 13.782 14.771 13.022 1.00 0.00 O ATOM 22 CB ALA A 2 15.280 17.550 11.462 1.00 0.00 C ATOM 0 H ALA A 2 16.781 15.573 10.699 1.00 0.00 H new ATOM 0 HA ALA A 2 15.568 16.464 13.332 1.00 0.00 H new ATOM 0 HB1 ALA A 2 14.373 18.045 11.809 1.00 0.00 H new ATOM 0 HB2 ALA A 2 16.132 18.215 11.602 1.00 0.00 H new ATOM 0 HB3 ALA A 2 15.179 17.307 10.404 1.00 0.00 H new ATOM 28 N TYR A 3 13.938 15.042 10.840 1.00 0.00 N ATOM 29 CA TYR A 3 12.802 14.104 10.585 1.00 0.00 C ATOM 30 C TYR A 3 13.330 12.691 10.314 1.00 0.00 C ATOM 31 O TYR A 3 14.057 12.461 9.365 1.00 0.00 O ATOM 32 CB TYR A 3 12.088 14.659 9.350 1.00 0.00 C ATOM 33 CG TYR A 3 11.050 15.671 9.776 1.00 0.00 C ATOM 34 CD1 TYR A 3 11.396 17.023 9.893 1.00 0.00 C ATOM 35 CD2 TYR A 3 9.743 15.256 10.056 1.00 0.00 C ATOM 36 CE1 TYR A 3 10.435 17.959 10.289 1.00 0.00 C ATOM 37 CE2 TYR A 3 8.781 16.193 10.452 1.00 0.00 C ATOM 38 CZ TYR A 3 9.128 17.544 10.569 1.00 0.00 C ATOM 39 OH TYR A 3 8.180 18.469 10.959 1.00 0.00 O ATOM 0 H TYR A 3 14.359 15.448 10.004 1.00 0.00 H new ATOM 0 HA TYR A 3 12.131 14.032 11.441 1.00 0.00 H new ATOM 0 HB2 TYR A 3 12.810 15.124 8.679 1.00 0.00 H new ATOM 0 HB3 TYR A 3 11.614 13.848 8.796 1.00 0.00 H new ATOM 0 HD1 TYR A 3 12.405 17.343 9.677 1.00 0.00 H new ATOM 0 HD2 TYR A 3 9.477 14.213 9.967 1.00 0.00 H new ATOM 0 HE1 TYR A 3 10.701 19.002 10.379 1.00 0.00 H new ATOM 0 HE2 TYR A 3 7.772 15.874 10.667 1.00 0.00 H new ATOM 0 HH TYR A 3 7.325 18.016 11.113 1.00 0.00 H new ATOM 49 N VAL A 4 12.965 11.742 11.141 1.00 0.00 N ATOM 50 CA VAL A 4 13.438 10.335 10.936 1.00 0.00 C ATOM 51 C VAL A 4 12.394 9.535 10.141 1.00 0.00 C ATOM 52 O VAL A 4 11.951 8.479 10.558 1.00 0.00 O ATOM 53 CB VAL A 4 13.629 9.748 12.348 1.00 0.00 C ATOM 54 CG1 VAL A 4 14.742 10.508 13.076 1.00 0.00 C ATOM 55 CG2 VAL A 4 12.326 9.859 13.153 1.00 0.00 C ATOM 0 H VAL A 4 12.359 11.880 11.950 1.00 0.00 H new ATOM 0 HA VAL A 4 14.366 10.295 10.365 1.00 0.00 H new ATOM 0 HB VAL A 4 13.901 8.697 12.256 1.00 0.00 H new ATOM 0 HG11 VAL A 4 14.875 10.091 14.074 1.00 0.00 H new ATOM 0 HG12 VAL A 4 15.673 10.414 12.517 1.00 0.00 H new ATOM 0 HG13 VAL A 4 14.472 11.561 13.156 1.00 0.00 H new ATOM 0 HG21 VAL A 4 12.476 9.440 14.148 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.040 10.907 13.240 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.535 9.308 12.643 1.00 0.00 H new ATOM 65 N GLN A 5 12.003 10.033 8.993 1.00 0.00 N ATOM 66 CA GLN A 5 10.989 9.309 8.161 1.00 0.00 C ATOM 67 C GLN A 5 11.677 8.500 7.049 1.00 0.00 C ATOM 68 O GLN A 5 11.104 8.273 6.001 1.00 0.00 O ATOM 69 CB GLN A 5 10.109 10.410 7.554 1.00 0.00 C ATOM 70 CG GLN A 5 9.508 11.277 8.667 1.00 0.00 C ATOM 71 CD GLN A 5 8.768 12.468 8.050 1.00 0.00 C ATOM 72 OE1 GLN A 5 7.580 12.624 8.244 1.00 0.00 O ATOM 73 NE2 GLN A 5 9.426 13.324 7.313 1.00 0.00 N ATOM 0 H GLN A 5 12.342 10.909 8.596 1.00 0.00 H new ATOM 0 HA GLN A 5 10.410 8.600 8.753 1.00 0.00 H new ATOM 0 HB2 GLN A 5 10.701 11.029 6.880 1.00 0.00 H new ATOM 0 HB3 GLN A 5 9.312 9.963 6.960 1.00 0.00 H new ATOM 0 HG2 GLN A 5 8.822 10.685 9.273 1.00 0.00 H new ATOM 0 HG3 GLN A 5 10.296 11.631 9.332 1.00 0.00 H new ATOM 0 HE21 GLN A 5 10.424 13.194 7.149 1.00 0.00 H new ATOM 0 HE22 GLN A 5 8.941 14.122 6.902 1.00 0.00 H new ATOM 82 N GLY A 6 12.896 8.060 7.269 1.00 0.00 N ATOM 83 CA GLY A 6 13.614 7.266 6.225 1.00 0.00 C ATOM 84 C GLY A 6 12.855 5.962 5.958 1.00 0.00 C ATOM 85 O GLY A 6 12.543 5.640 4.828 1.00 0.00 O ATOM 0 H GLY A 6 13.422 8.218 8.128 1.00 0.00 H new ATOM 0 HA2 GLY A 6 13.696 7.846 5.305 1.00 0.00 H new ATOM 0 HA3 GLY A 6 14.629 7.046 6.555 1.00 0.00 H new ATOM 89 N TRP A 7 12.551 5.217 6.994 1.00 0.00 N ATOM 90 CA TRP A 7 11.801 3.934 6.811 1.00 0.00 C ATOM 91 C TRP A 7 10.403 4.224 6.254 1.00 0.00 C ATOM 92 O TRP A 7 9.938 3.557 5.349 1.00 0.00 O ATOM 93 CB TRP A 7 11.706 3.317 8.212 1.00 0.00 C ATOM 94 CG TRP A 7 12.888 2.431 8.467 1.00 0.00 C ATOM 95 CD1 TRP A 7 14.182 2.777 8.263 1.00 0.00 C ATOM 96 CD2 TRP A 7 12.907 1.066 8.977 1.00 0.00 C ATOM 97 NE1 TRP A 7 14.990 1.711 8.613 1.00 0.00 N ATOM 98 CE2 TRP A 7 14.252 0.634 9.059 1.00 0.00 C ATOM 99 CE3 TRP A 7 11.898 0.170 9.373 1.00 0.00 C ATOM 100 CZ2 TRP A 7 14.583 -0.641 9.518 1.00 0.00 C ATOM 101 CZ3 TRP A 7 12.228 -1.114 9.834 1.00 0.00 C ATOM 102 CH2 TRP A 7 13.568 -1.519 9.906 1.00 0.00 C ATOM 0 H TRP A 7 12.790 5.443 7.960 1.00 0.00 H new ATOM 0 HA TRP A 7 12.295 3.262 6.109 1.00 0.00 H new ATOM 0 HB2 TRP A 7 11.665 4.106 8.963 1.00 0.00 H new ATOM 0 HB3 TRP A 7 10.785 2.742 8.303 1.00 0.00 H new ATOM 0 HD1 TRP A 7 14.526 3.730 7.888 1.00 0.00 H new ATOM 0 HE1 TRP A 7 16.008 1.720 8.549 1.00 0.00 H new ATOM 0 HE3 TRP A 7 10.862 0.472 9.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 15.617 -0.947 9.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 11.445 -1.794 10.135 1.00 0.00 H new ATOM 0 HH2 TRP A 7 13.815 -2.509 10.261 1.00 0.00 H new ATOM 113 N GLU A 8 9.736 5.223 6.782 1.00 0.00 N ATOM 114 CA GLU A 8 8.373 5.572 6.278 1.00 0.00 C ATOM 115 C GLU A 8 8.455 5.990 4.806 1.00 0.00 C ATOM 116 O GLU A 8 7.600 5.653 4.009 1.00 0.00 O ATOM 117 CB GLU A 8 7.911 6.746 7.149 1.00 0.00 C ATOM 118 CG GLU A 8 7.618 6.256 8.572 1.00 0.00 C ATOM 119 CD GLU A 8 6.223 5.625 8.624 1.00 0.00 C ATOM 120 OE1 GLU A 8 5.256 6.371 8.642 1.00 0.00 O ATOM 121 OE2 GLU A 8 6.146 4.407 8.648 1.00 0.00 O ATOM 0 H GLU A 8 10.079 5.811 7.541 1.00 0.00 H new ATOM 0 HA GLU A 8 7.680 4.732 6.336 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.680 7.518 7.172 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.017 7.199 6.720 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.369 5.527 8.878 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.677 7.088 9.273 1.00 0.00 H new ATOM 128 N ALA A 9 9.489 6.712 4.441 1.00 0.00 N ATOM 129 CA ALA A 9 9.649 7.147 3.022 1.00 0.00 C ATOM 130 C ALA A 9 9.794 5.922 2.115 1.00 0.00 C ATOM 131 O ALA A 9 9.227 5.870 1.041 1.00 0.00 O ATOM 132 CB ALA A 9 10.925 7.993 2.994 1.00 0.00 C ATOM 0 H ALA A 9 10.231 7.018 5.071 1.00 0.00 H new ATOM 0 HA ALA A 9 8.788 7.712 2.665 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.105 8.347 1.979 1.00 0.00 H new ATOM 0 HB2 ALA A 9 10.810 8.847 3.661 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.770 7.388 3.322 1.00 0.00 H new ATOM 138 N VAL A 10 10.535 4.929 2.547 1.00 0.00 N ATOM 139 CA VAL A 10 10.698 3.697 1.717 1.00 0.00 C ATOM 140 C VAL A 10 9.340 3.005 1.570 1.00 0.00 C ATOM 141 O VAL A 10 8.966 2.576 0.494 1.00 0.00 O ATOM 142 CB VAL A 10 11.690 2.808 2.480 1.00 0.00 C ATOM 143 CG1 VAL A 10 11.876 1.483 1.735 1.00 0.00 C ATOM 144 CG2 VAL A 10 13.043 3.519 2.586 1.00 0.00 C ATOM 0 H VAL A 10 11.033 4.920 3.437 1.00 0.00 H new ATOM 0 HA VAL A 10 11.065 3.914 0.714 1.00 0.00 H new ATOM 0 HB VAL A 10 11.299 2.614 3.479 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.581 0.855 2.280 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.917 0.971 1.659 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.263 1.679 0.735 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.745 2.886 3.128 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.430 3.716 1.586 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.918 4.461 3.119 1.00 0.00 H new ATOM 154 N ALA A 11 8.590 2.916 2.641 1.00 0.00 N ATOM 155 CA ALA A 11 7.243 2.277 2.562 1.00 0.00 C ATOM 156 C ALA A 11 6.334 3.121 1.662 1.00 0.00 C ATOM 157 O ALA A 11 5.571 2.597 0.872 1.00 0.00 O ATOM 158 CB ALA A 11 6.715 2.252 4.000 1.00 0.00 C ATOM 0 H ALA A 11 8.853 3.258 3.565 1.00 0.00 H new ATOM 0 HA ALA A 11 7.280 1.273 2.140 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.726 1.794 4.017 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.393 1.673 4.627 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.650 3.271 4.381 1.00 0.00 H new ATOM 164 N ALA A 12 6.431 4.427 1.765 1.00 0.00 N ATOM 165 CA ALA A 12 5.597 5.319 0.908 1.00 0.00 C ATOM 166 C ALA A 12 5.964 5.114 -0.566 1.00 0.00 C ATOM 167 O ALA A 12 5.104 5.068 -1.425 1.00 0.00 O ATOM 168 CB ALA A 12 5.937 6.743 1.358 1.00 0.00 C ATOM 0 H ALA A 12 7.056 4.911 2.410 1.00 0.00 H new ATOM 0 HA ALA A 12 4.531 5.112 1.006 1.00 0.00 H new ATOM 0 HB1 ALA A 12 5.360 7.458 0.771 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.692 6.859 2.414 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.001 6.927 1.210 1.00 0.00 H new ATOM 174 N ALA A 13 7.237 4.975 -0.863 1.00 0.00 N ATOM 175 CA ALA A 13 7.661 4.752 -2.280 1.00 0.00 C ATOM 176 C ALA A 13 7.072 3.435 -2.793 1.00 0.00 C ATOM 177 O ALA A 13 6.620 3.345 -3.919 1.00 0.00 O ATOM 178 CB ALA A 13 9.189 4.686 -2.241 1.00 0.00 C ATOM 0 H ALA A 13 7.998 5.007 -0.184 1.00 0.00 H new ATOM 0 HA ALA A 13 7.315 5.541 -2.947 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.572 4.524 -3.248 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.584 5.624 -1.849 1.00 0.00 H new ATOM 0 HB3 ALA A 13 9.501 3.864 -1.597 1.00 0.00 H new ATOM 184 N VAL A 14 7.062 2.415 -1.966 1.00 0.00 N ATOM 185 CA VAL A 14 6.485 1.106 -2.395 1.00 0.00 C ATOM 186 C VAL A 14 4.985 1.276 -2.665 1.00 0.00 C ATOM 187 O VAL A 14 4.453 0.743 -3.622 1.00 0.00 O ATOM 188 CB VAL A 14 6.725 0.147 -1.219 1.00 0.00 C ATOM 189 CG1 VAL A 14 6.101 -1.216 -1.528 1.00 0.00 C ATOM 190 CG2 VAL A 14 8.231 -0.030 -0.993 1.00 0.00 C ATOM 0 H VAL A 14 7.429 2.435 -1.014 1.00 0.00 H new ATOM 0 HA VAL A 14 6.940 0.727 -3.310 1.00 0.00 H new ATOM 0 HB VAL A 14 6.267 0.565 -0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.273 -1.893 -0.691 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.029 -1.098 -1.684 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.556 -1.629 -2.429 1.00 0.00 H new ATOM 0 HG21 VAL A 14 8.396 -0.711 -0.158 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.688 -0.442 -1.893 1.00 0.00 H new ATOM 0 HG23 VAL A 14 8.681 0.937 -0.767 1.00 0.00 H new ATOM 200 N ALA A 15 4.305 2.032 -1.832 1.00 0.00 N ATOM 201 CA ALA A 15 2.844 2.260 -2.038 1.00 0.00 C ATOM 202 C ALA A 15 2.606 2.998 -3.364 1.00 0.00 C ATOM 203 O ALA A 15 1.680 2.694 -4.095 1.00 0.00 O ATOM 204 CB ALA A 15 2.400 3.121 -0.853 1.00 0.00 C ATOM 0 H ALA A 15 4.704 2.500 -1.018 1.00 0.00 H new ATOM 0 HA ALA A 15 2.284 1.326 -2.089 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.334 3.331 -0.935 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.594 2.587 0.077 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.956 4.059 -0.856 1.00 0.00 H new ATOM 210 N SER A 16 3.442 3.961 -3.683 1.00 0.00 N ATOM 211 CA SER A 16 3.273 4.708 -4.966 1.00 0.00 C ATOM 212 C SER A 16 3.495 3.759 -6.150 1.00 0.00 C ATOM 213 O SER A 16 2.800 3.826 -7.146 1.00 0.00 O ATOM 214 CB SER A 16 4.338 5.808 -4.948 1.00 0.00 C ATOM 215 OG SER A 16 3.918 6.882 -5.784 1.00 0.00 O ATOM 0 H SER A 16 4.231 4.259 -3.109 1.00 0.00 H new ATOM 0 HA SER A 16 2.273 5.128 -5.069 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.493 6.164 -3.929 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.292 5.412 -5.296 1.00 0.00 H new ATOM 0 HG SER A 16 4.596 7.589 -5.774 1.00 0.00 H new ATOM 221 N LYS A 17 4.452 2.867 -6.040 1.00 0.00 N ATOM 222 CA LYS A 17 4.711 1.901 -7.147 1.00 0.00 C ATOM 223 C LYS A 17 3.512 0.953 -7.307 1.00 0.00 C ATOM 224 O LYS A 17 3.199 0.520 -8.399 1.00 0.00 O ATOM 225 CB LYS A 17 5.966 1.128 -6.727 1.00 0.00 C ATOM 226 CG LYS A 17 6.386 0.181 -7.854 1.00 0.00 C ATOM 227 CD LYS A 17 7.900 -0.036 -7.807 1.00 0.00 C ATOM 228 CE LYS A 17 8.529 0.442 -9.120 1.00 0.00 C ATOM 229 NZ LYS A 17 8.285 -0.661 -10.091 1.00 0.00 N ATOM 0 H LYS A 17 5.063 2.769 -5.229 1.00 0.00 H new ATOM 0 HA LYS A 17 4.853 2.399 -8.106 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.775 1.823 -6.502 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.769 0.562 -5.817 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.869 -0.773 -7.752 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.098 0.598 -8.819 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.330 0.509 -6.967 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.122 -1.092 -7.649 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.075 1.373 -9.459 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.595 0.633 -9.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.189 -0.963 -10.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.844 -1.465 -9.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.652 -0.326 -10.845 1.00 0.00 H new ATOM 243 N ILE A 18 2.837 0.640 -6.222 1.00 0.00 N ATOM 244 CA ILE A 18 1.652 -0.267 -6.296 1.00 0.00 C ATOM 245 C ILE A 18 0.555 0.373 -7.156 1.00 0.00 C ATOM 246 O ILE A 18 0.005 -0.258 -8.037 1.00 0.00 O ATOM 247 CB ILE A 18 1.187 -0.436 -4.838 1.00 0.00 C ATOM 248 CG1 ILE A 18 1.985 -1.568 -4.175 1.00 0.00 C ATOM 249 CG2 ILE A 18 -0.310 -0.768 -4.786 1.00 0.00 C ATOM 250 CD1 ILE A 18 1.565 -2.920 -4.766 1.00 0.00 C ATOM 0 H ILE A 18 3.061 0.978 -5.286 1.00 0.00 H new ATOM 0 HA ILE A 18 1.887 -1.228 -6.754 1.00 0.00 H new ATOM 0 HB ILE A 18 1.358 0.499 -4.305 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.053 -1.410 -4.329 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.814 -1.563 -3.099 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.621 -0.884 -3.748 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.878 0.040 -5.247 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.496 -1.696 -5.326 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.136 -3.718 -4.291 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.501 -3.080 -4.589 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.759 -2.924 -5.839 1.00 0.00 H new ATOM 262 N VAL A 19 0.237 1.623 -6.909 1.00 0.00 N ATOM 263 CA VAL A 19 -0.824 2.307 -7.717 1.00 0.00 C ATOM 264 C VAL A 19 -0.386 2.393 -9.185 1.00 0.00 C ATOM 265 O VAL A 19 -1.182 2.218 -10.088 1.00 0.00 O ATOM 266 CB VAL A 19 -0.973 3.707 -7.098 1.00 0.00 C ATOM 267 CG1 VAL A 19 -1.790 4.608 -8.031 1.00 0.00 C ATOM 268 CG2 VAL A 19 -1.696 3.601 -5.752 1.00 0.00 C ATOM 0 H VAL A 19 0.666 2.198 -6.184 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.771 1.768 -7.701 1.00 0.00 H new ATOM 0 HB VAL A 19 0.019 4.135 -6.953 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.891 5.597 -7.585 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.282 4.693 -8.992 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.779 4.175 -8.181 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.800 4.594 -5.316 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.684 3.166 -5.903 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.119 2.967 -5.078 1.00 0.00 H new ATOM 278 N GLY A 20 0.877 2.652 -9.427 1.00 0.00 N ATOM 279 CA GLY A 20 1.377 2.740 -10.832 1.00 0.00 C ATOM 280 C GLY A 20 1.322 1.354 -11.495 1.00 0.00 C ATOM 281 O GLY A 20 1.129 1.240 -12.691 1.00 0.00 O ATOM 0 H GLY A 20 1.584 2.806 -8.708 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.772 3.448 -11.399 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.400 3.116 -10.840 1.00 0.00 H new ATOM 285 N LEU A 21 1.493 0.301 -10.728 1.00 0.00 N ATOM 286 CA LEU A 21 1.455 -1.075 -11.308 1.00 0.00 C ATOM 287 C LEU A 21 0.223 -1.845 -10.806 1.00 0.00 C ATOM 288 O LEU A 21 0.281 -3.038 -10.565 1.00 0.00 O ATOM 289 CB LEU A 21 2.744 -1.740 -10.818 1.00 0.00 C ATOM 290 CG LEU A 21 3.219 -2.764 -11.852 1.00 0.00 C ATOM 291 CD1 LEU A 21 4.691 -2.510 -12.183 1.00 0.00 C ATOM 292 CD2 LEU A 21 3.061 -4.178 -11.284 1.00 0.00 C ATOM 0 H LEU A 21 1.658 0.339 -9.722 1.00 0.00 H new ATOM 0 HA LEU A 21 1.386 -1.060 -12.396 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.515 -0.987 -10.657 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.571 -2.229 -9.860 1.00 0.00 H new ATOM 0 HG LEU A 21 2.620 -2.668 -12.758 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.029 -3.239 -12.919 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.804 -1.505 -12.589 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.289 -2.605 -11.277 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.399 -4.906 -12.021 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.658 -4.275 -10.377 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.012 -4.361 -11.049 1.00 0.00 H new ATOM 304 N TRP A 22 -0.891 -1.174 -10.645 1.00 0.00 N ATOM 305 CA TRP A 22 -2.119 -1.866 -10.159 1.00 0.00 C ATOM 306 C TRP A 22 -3.063 -2.179 -11.328 1.00 0.00 C ATOM 307 O TRP A 22 -3.269 -1.368 -12.212 1.00 0.00 O ATOM 308 CB TRP A 22 -2.772 -0.887 -9.175 1.00 0.00 C ATOM 309 CG TRP A 22 -4.070 -1.447 -8.674 1.00 0.00 C ATOM 310 CD1 TRP A 22 -4.268 -2.724 -8.267 1.00 0.00 C ATOM 311 CD2 TRP A 22 -5.349 -0.769 -8.522 1.00 0.00 C ATOM 312 NE1 TRP A 22 -5.587 -2.871 -7.879 1.00 0.00 N ATOM 313 CE2 TRP A 22 -6.294 -1.694 -8.017 1.00 0.00 C ATOM 314 CE3 TRP A 22 -5.778 0.547 -8.771 1.00 0.00 C ATOM 315 CZ2 TRP A 22 -7.617 -1.327 -7.769 1.00 0.00 C ATOM 316 CZ3 TRP A 22 -7.108 0.920 -8.522 1.00 0.00 C ATOM 317 CH2 TRP A 22 -8.026 -0.016 -8.023 1.00 0.00 C ATOM 0 H TRP A 22 -1.000 -0.177 -10.830 1.00 0.00 H new ATOM 0 HA TRP A 22 -1.888 -2.820 -9.685 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.100 -0.700 -8.337 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.946 0.071 -9.665 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -3.518 -3.501 -8.249 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -5.988 -3.743 -7.533 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -5.080 1.275 -9.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.319 -2.051 -7.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -7.427 1.934 -8.716 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -9.048 0.277 -7.835 1.00 0.00 H new ATOM 328 N ARG A 23 -3.646 -3.350 -11.319 1.00 0.00 N ATOM 329 CA ARG A 23 -4.595 -3.746 -12.401 1.00 0.00 C ATOM 330 C ARG A 23 -6.033 -3.502 -11.922 1.00 0.00 C ATOM 331 O ARG A 23 -6.249 -2.885 -10.895 1.00 0.00 O ATOM 332 CB ARG A 23 -4.332 -5.246 -12.608 1.00 0.00 C ATOM 333 CG ARG A 23 -4.658 -5.646 -14.052 1.00 0.00 C ATOM 334 CD ARG A 23 -5.780 -6.693 -14.059 1.00 0.00 C ATOM 335 NE ARG A 23 -5.118 -7.988 -13.725 1.00 0.00 N ATOM 336 CZ ARG A 23 -5.208 -8.999 -14.550 1.00 0.00 C ATOM 337 NH1 ARG A 23 -6.380 -9.501 -14.845 1.00 0.00 N ATOM 338 NH2 ARG A 23 -4.126 -9.506 -15.079 1.00 0.00 N ATOM 0 H ARG A 23 -3.502 -4.057 -10.598 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.462 -3.182 -13.324 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.289 -5.474 -12.386 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.940 -5.828 -11.915 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.963 -4.769 -14.622 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.769 -6.049 -14.537 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.551 -6.447 -13.329 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.266 -6.741 -15.033 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.596 -8.085 -12.854 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.224 -9.104 -14.432 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -6.450 -10.289 -15.488 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.213 -9.113 -14.848 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.194 -10.294 -15.723 1.00 0.00 H new ATOM 352 N ASN A 24 -7.012 -3.984 -12.657 1.00 0.00 N ATOM 353 CA ASN A 24 -8.445 -3.795 -12.249 1.00 0.00 C ATOM 354 C ASN A 24 -8.606 -4.044 -10.743 1.00 0.00 C ATOM 355 O ASN A 24 -9.279 -3.304 -10.052 1.00 0.00 O ATOM 356 CB ASN A 24 -9.227 -4.846 -13.046 1.00 0.00 C ATOM 357 CG ASN A 24 -9.855 -4.201 -14.287 1.00 0.00 C ATOM 358 OD1 ASN A 24 -9.218 -3.426 -14.973 1.00 0.00 O ATOM 359 ND2 ASN A 24 -11.088 -4.491 -14.607 1.00 0.00 N ATOM 0 H ASN A 24 -6.879 -4.502 -13.525 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.798 -2.783 -12.446 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.563 -5.657 -13.344 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -10.005 -5.284 -12.421 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.514 -4.067 -15.431 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -11.624 -5.141 -14.033 1.00 0.00 H new ATOM 366 N GLU A 25 -7.975 -5.077 -10.234 1.00 0.00 N ATOM 367 CA GLU A 25 -8.065 -5.382 -8.771 1.00 0.00 C ATOM 368 C GLU A 25 -6.934 -6.338 -8.352 1.00 0.00 C ATOM 369 O GLU A 25 -7.128 -7.231 -7.546 1.00 0.00 O ATOM 370 CB GLU A 25 -9.443 -6.034 -8.578 1.00 0.00 C ATOM 371 CG GLU A 25 -9.533 -7.336 -9.384 1.00 0.00 C ATOM 372 CD GLU A 25 -10.971 -7.858 -9.351 1.00 0.00 C ATOM 373 OE1 GLU A 25 -11.377 -8.361 -8.315 1.00 0.00 O ATOM 374 OE2 GLU A 25 -11.643 -7.746 -10.365 1.00 0.00 O ATOM 0 H GLU A 25 -7.399 -5.724 -10.773 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.957 -4.489 -8.156 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.610 -6.240 -7.521 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.226 -5.346 -8.897 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.222 -7.161 -10.414 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.855 -8.081 -8.968 1.00 0.00 H new ATOM 381 N LYS A 26 -5.752 -6.155 -8.895 1.00 0.00 N ATOM 382 CA LYS A 26 -4.605 -7.048 -8.539 1.00 0.00 C ATOM 383 C LYS A 26 -3.267 -6.353 -8.826 1.00 0.00 C ATOM 384 O LYS A 26 -3.113 -5.685 -9.829 1.00 0.00 O ATOM 385 CB LYS A 26 -4.772 -8.261 -9.449 1.00 0.00 C ATOM 386 CG LYS A 26 -3.804 -9.370 -9.016 1.00 0.00 C ATOM 387 CD LYS A 26 -3.475 -10.268 -10.215 1.00 0.00 C ATOM 388 CE LYS A 26 -4.764 -10.870 -10.789 1.00 0.00 C ATOM 389 NZ LYS A 26 -5.155 -11.952 -9.839 1.00 0.00 N ATOM 0 H LYS A 26 -5.534 -5.423 -9.571 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.601 -7.311 -7.481 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.799 -8.623 -9.403 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.579 -7.980 -10.484 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.890 -8.932 -8.616 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.249 -9.963 -8.217 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.961 -9.690 -10.983 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.797 -11.064 -9.908 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.547 -10.116 -10.870 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.600 -11.267 -11.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.129 -12.869 -10.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.491 -11.968 -9.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.117 -11.774 -9.487 1.00 0.00 H new ATOM 403 N THR A 27 -2.294 -6.523 -7.961 1.00 0.00 N ATOM 404 CA THR A 27 -0.957 -5.887 -8.190 1.00 0.00 C ATOM 405 C THR A 27 0.148 -6.779 -7.615 1.00 0.00 C ATOM 406 O THR A 27 -0.099 -7.616 -6.768 1.00 0.00 O ATOM 407 CB THR A 27 -1.012 -4.531 -7.464 1.00 0.00 C ATOM 408 OG1 THR A 27 0.095 -3.726 -7.863 1.00 0.00 O ATOM 409 CG2 THR A 27 -0.965 -4.740 -5.946 1.00 0.00 C ATOM 0 H THR A 27 -2.368 -7.075 -7.106 1.00 0.00 H new ATOM 0 HA THR A 27 -0.738 -5.754 -9.249 1.00 0.00 H new ATOM 0 HB THR A 27 -1.944 -4.031 -7.728 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.046 -3.558 -8.827 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.005 -3.773 -5.444 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.817 -5.345 -5.635 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.040 -5.251 -5.677 1.00 0.00 H new ATOM 417 N GLU A 28 1.360 -6.606 -8.068 1.00 0.00 N ATOM 418 CA GLU A 28 2.478 -7.446 -7.546 1.00 0.00 C ATOM 419 C GLU A 28 3.284 -6.675 -6.498 1.00 0.00 C ATOM 420 O GLU A 28 3.496 -5.485 -6.618 1.00 0.00 O ATOM 421 CB GLU A 28 3.351 -7.762 -8.763 1.00 0.00 C ATOM 422 CG GLU A 28 2.840 -9.035 -9.443 1.00 0.00 C ATOM 423 CD GLU A 28 3.936 -9.608 -10.346 1.00 0.00 C ATOM 424 OE1 GLU A 28 4.874 -10.180 -9.817 1.00 0.00 O ATOM 425 OE2 GLU A 28 3.819 -9.462 -11.552 1.00 0.00 O ATOM 0 H GLU A 28 1.625 -5.921 -8.776 1.00 0.00 H new ATOM 0 HA GLU A 28 2.112 -8.351 -7.062 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.330 -6.929 -9.465 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.388 -7.893 -8.455 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.552 -9.770 -8.692 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.949 -8.813 -10.031 1.00 0.00 H new ATOM 432 N LEU A 29 3.742 -7.351 -5.479 1.00 0.00 N ATOM 433 CA LEU A 29 4.549 -6.676 -4.423 1.00 0.00 C ATOM 434 C LEU A 29 5.870 -7.422 -4.238 1.00 0.00 C ATOM 435 O LEU A 29 5.889 -8.554 -3.792 1.00 0.00 O ATOM 436 CB LEU A 29 3.707 -6.756 -3.149 1.00 0.00 C ATOM 437 CG LEU A 29 2.845 -5.498 -3.017 1.00 0.00 C ATOM 438 CD1 LEU A 29 1.709 -5.758 -2.026 1.00 0.00 C ATOM 439 CD2 LEU A 29 3.708 -4.338 -2.509 1.00 0.00 C ATOM 0 H LEU A 29 3.590 -8.349 -5.332 1.00 0.00 H new ATOM 0 HA LEU A 29 4.786 -5.643 -4.679 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.072 -7.642 -3.177 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.356 -6.856 -2.279 1.00 0.00 H new ATOM 0 HG LEU A 29 2.427 -5.242 -3.990 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.096 -4.862 -1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.094 -6.583 -2.386 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.127 -6.015 -1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.094 -3.442 -2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.127 -4.595 -1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.518 -4.151 -3.214 1.00 0.00 H new ATOM 451 N LEU A 30 6.971 -6.799 -4.583 1.00 0.00 N ATOM 452 CA LEU A 30 8.308 -7.462 -4.439 1.00 0.00 C ATOM 453 C LEU A 30 8.363 -8.758 -5.268 1.00 0.00 C ATOM 454 O LEU A 30 9.098 -9.675 -4.950 1.00 0.00 O ATOM 455 CB LEU A 30 8.444 -7.760 -2.939 1.00 0.00 C ATOM 456 CG LEU A 30 9.863 -7.430 -2.463 1.00 0.00 C ATOM 457 CD1 LEU A 30 10.147 -5.937 -2.660 1.00 0.00 C ATOM 458 CD2 LEU A 30 9.985 -7.776 -0.977 1.00 0.00 C ATOM 0 H LEU A 30 7.002 -5.852 -4.961 1.00 0.00 H new ATOM 0 HA LEU A 30 9.121 -6.833 -4.802 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.718 -7.173 -2.376 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.223 -8.810 -2.747 1.00 0.00 H new ATOM 0 HG LEU A 30 10.582 -8.010 -3.042 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.157 -5.711 -2.319 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.056 -5.686 -3.717 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.430 -5.351 -2.084 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.992 -7.544 -0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.262 -7.193 -0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.788 -8.838 -0.833 1.00 0.00 H new ATOM 470 N GLY A 31 7.592 -8.838 -6.329 1.00 0.00 N ATOM 471 CA GLY A 31 7.599 -10.067 -7.179 1.00 0.00 C ATOM 472 C GLY A 31 6.447 -11.004 -6.783 1.00 0.00 C ATOM 473 O GLY A 31 6.108 -11.912 -7.517 1.00 0.00 O ATOM 0 H GLY A 31 6.958 -8.102 -6.641 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.505 -9.790 -8.229 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.551 -10.586 -7.070 1.00 0.00 H new ATOM 477 N HIS A 32 5.847 -10.805 -5.633 1.00 0.00 N ATOM 478 CA HIS A 32 4.727 -11.698 -5.202 1.00 0.00 C ATOM 479 C HIS A 32 3.392 -11.176 -5.742 1.00 0.00 C ATOM 480 O HIS A 32 3.227 -9.994 -5.972 1.00 0.00 O ATOM 481 CB HIS A 32 4.728 -11.648 -3.668 1.00 0.00 C ATOM 482 CG HIS A 32 6.119 -11.877 -3.138 1.00 0.00 C ATOM 483 ND1 HIS A 32 6.863 -13.003 -3.460 1.00 0.00 N ATOM 484 CD2 HIS A 32 6.916 -11.124 -2.316 1.00 0.00 C ATOM 485 CE1 HIS A 32 8.053 -12.891 -2.841 1.00 0.00 C ATOM 486 NE2 HIS A 32 8.138 -11.763 -2.131 1.00 0.00 N ATOM 0 H HIS A 32 6.085 -10.063 -4.975 1.00 0.00 H new ATOM 0 HA HIS A 32 4.855 -12.713 -5.577 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.357 -10.681 -3.329 1.00 0.00 H new ATOM 0 HB3 HIS A 32 4.052 -12.406 -3.272 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.637 -10.177 -1.878 1.00 0.00 H new ATOM 0 HE1 HIS A 32 8.843 -13.624 -2.910 1.00 0.00 H new ATOM 0 HE2 HIS A 32 8.928 -11.440 -1.573 1.00 0.00 H new ATOM 494 N GLU A 33 2.435 -12.047 -5.932 1.00 0.00 N ATOM 495 CA GLU A 33 1.102 -11.601 -6.441 1.00 0.00 C ATOM 496 C GLU A 33 0.241 -11.104 -5.273 1.00 0.00 C ATOM 497 O GLU A 33 0.222 -11.698 -4.208 1.00 0.00 O ATOM 498 CB GLU A 33 0.481 -12.840 -7.092 1.00 0.00 C ATOM 499 CG GLU A 33 1.038 -13.009 -8.510 1.00 0.00 C ATOM 500 CD GLU A 33 1.523 -14.448 -8.708 1.00 0.00 C ATOM 501 OE1 GLU A 33 2.552 -14.789 -8.146 1.00 0.00 O ATOM 502 OE2 GLU A 33 0.857 -15.185 -9.419 1.00 0.00 O ATOM 0 H GLU A 33 2.518 -13.048 -5.757 1.00 0.00 H new ATOM 0 HA GLU A 33 1.181 -10.778 -7.152 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.701 -13.726 -6.496 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.604 -12.740 -7.126 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.268 -12.771 -9.244 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.860 -12.312 -8.673 1.00 0.00 H new ATOM 509 N CYS A 34 -0.459 -10.010 -5.455 1.00 0.00 N ATOM 510 CA CYS A 34 -1.304 -9.468 -4.349 1.00 0.00 C ATOM 511 C CYS A 34 -2.664 -8.989 -4.872 1.00 0.00 C ATOM 512 O CYS A 34 -2.897 -8.906 -6.065 1.00 0.00 O ATOM 513 CB CYS A 34 -0.510 -8.287 -3.786 1.00 0.00 C ATOM 514 SG CYS A 34 0.967 -8.898 -2.942 1.00 0.00 S ATOM 0 H CYS A 34 -0.481 -9.471 -6.321 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.513 -10.228 -3.596 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.227 -7.609 -4.591 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.128 -7.717 -3.092 1.00 0.00 H new ATOM 519 N LYS A 35 -3.557 -8.665 -3.974 1.00 0.00 N ATOM 520 CA LYS A 35 -4.907 -8.179 -4.383 1.00 0.00 C ATOM 521 C LYS A 35 -5.167 -6.789 -3.789 1.00 0.00 C ATOM 522 O LYS A 35 -5.442 -6.645 -2.611 1.00 0.00 O ATOM 523 CB LYS A 35 -5.889 -9.206 -3.820 1.00 0.00 C ATOM 524 CG LYS A 35 -7.279 -8.979 -4.426 1.00 0.00 C ATOM 525 CD LYS A 35 -7.400 -9.751 -5.744 1.00 0.00 C ATOM 526 CE LYS A 35 -8.882 -9.936 -6.104 1.00 0.00 C ATOM 527 NZ LYS A 35 -9.414 -8.560 -6.326 1.00 0.00 N ATOM 0 H LYS A 35 -3.407 -8.717 -2.966 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.004 -8.083 -5.464 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.544 -10.215 -4.046 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.937 -9.121 -2.734 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.049 -9.309 -3.728 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.441 -7.915 -4.600 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.887 -9.212 -6.540 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.914 -10.723 -5.653 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.995 -10.549 -6.998 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.421 -10.440 -5.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.249 -8.606 -6.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.682 -8.140 -5.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -8.682 -7.973 -6.775 1.00 0.00 H new ATOM 541 N PHE A 36 -5.080 -5.773 -4.606 1.00 0.00 N ATOM 542 CA PHE A 36 -5.321 -4.378 -4.125 1.00 0.00 C ATOM 543 C PHE A 36 -6.640 -3.860 -4.714 1.00 0.00 C ATOM 544 O PHE A 36 -6.897 -4.010 -5.893 1.00 0.00 O ATOM 545 CB PHE A 36 -4.116 -3.582 -4.653 1.00 0.00 C ATOM 546 CG PHE A 36 -4.275 -2.097 -4.391 1.00 0.00 C ATOM 547 CD1 PHE A 36 -5.032 -1.638 -3.304 1.00 0.00 C ATOM 548 CD2 PHE A 36 -3.655 -1.176 -5.245 1.00 0.00 C ATOM 549 CE1 PHE A 36 -5.169 -0.266 -3.076 1.00 0.00 C ATOM 550 CE2 PHE A 36 -3.792 0.197 -5.015 1.00 0.00 C ATOM 551 CZ PHE A 36 -4.549 0.651 -3.932 1.00 0.00 C ATOM 0 H PHE A 36 -4.850 -5.850 -5.597 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.409 -4.298 -3.042 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.204 -3.941 -4.176 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.005 -3.754 -5.724 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.510 -2.345 -2.642 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.070 -1.527 -6.083 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.753 0.087 -2.239 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.313 0.906 -5.674 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.656 1.711 -3.755 1.00 0.00 H new ATOM 561 N THR A 37 -7.490 -3.272 -3.904 1.00 0.00 N ATOM 562 CA THR A 37 -8.797 -2.768 -4.433 1.00 0.00 C ATOM 563 C THR A 37 -9.176 -1.422 -3.798 1.00 0.00 C ATOM 564 O THR A 37 -8.776 -1.107 -2.692 1.00 0.00 O ATOM 565 CB THR A 37 -9.825 -3.844 -4.057 1.00 0.00 C ATOM 566 OG1 THR A 37 -9.663 -4.209 -2.691 1.00 0.00 O ATOM 567 CG2 THR A 37 -9.628 -5.079 -4.941 1.00 0.00 C ATOM 0 H THR A 37 -7.336 -3.121 -2.907 1.00 0.00 H new ATOM 0 HA THR A 37 -8.751 -2.597 -5.508 1.00 0.00 H new ATOM 0 HB THR A 37 -10.828 -3.446 -4.208 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.587 -5.183 -2.620 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.360 -5.840 -4.671 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.761 -4.803 -5.987 1.00 0.00 H new ATOM 0 HG23 THR A 37 -8.623 -5.474 -4.795 1.00 0.00 H new ATOM 575 N VAL A 38 -9.960 -0.634 -4.498 1.00 0.00 N ATOM 576 CA VAL A 38 -10.394 0.693 -3.961 1.00 0.00 C ATOM 577 C VAL A 38 -11.860 0.962 -4.347 1.00 0.00 C ATOM 578 O VAL A 38 -12.305 0.592 -5.419 1.00 0.00 O ATOM 579 CB VAL A 38 -9.445 1.719 -4.602 1.00 0.00 C ATOM 580 CG1 VAL A 38 -9.839 1.976 -6.061 1.00 0.00 C ATOM 581 CG2 VAL A 38 -9.512 3.034 -3.820 1.00 0.00 C ATOM 0 H VAL A 38 -10.320 -0.857 -5.426 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.346 0.741 -2.873 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.430 1.322 -4.575 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.157 2.705 -6.499 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.784 1.043 -6.623 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.857 2.363 -6.100 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.839 3.762 -4.274 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.532 3.419 -3.842 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.213 2.858 -2.787 1.00 0.00 H new ATOM 591 N LYS A 39 -12.616 1.592 -3.479 1.00 0.00 N ATOM 592 CA LYS A 39 -14.051 1.869 -3.795 1.00 0.00 C ATOM 593 C LYS A 39 -14.531 3.161 -3.116 1.00 0.00 C ATOM 594 O LYS A 39 -14.381 3.326 -1.918 1.00 0.00 O ATOM 595 CB LYS A 39 -14.818 0.666 -3.240 1.00 0.00 C ATOM 596 CG LYS A 39 -15.617 -0.001 -4.363 1.00 0.00 C ATOM 597 CD LYS A 39 -15.259 -1.488 -4.429 1.00 0.00 C ATOM 598 CE LYS A 39 -15.261 -1.952 -5.888 1.00 0.00 C ATOM 599 NZ LYS A 39 -14.207 -3.007 -5.963 1.00 0.00 N ATOM 0 H LYS A 39 -12.301 1.925 -2.568 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.205 2.006 -4.865 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.123 -0.050 -2.801 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.490 0.987 -2.444 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.686 0.119 -4.185 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.397 0.480 -5.316 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.278 -1.656 -3.985 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.975 -2.071 -3.850 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.236 -2.347 -6.174 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.041 -1.126 -6.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -14.150 -3.373 -6.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -13.289 -2.600 -5.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -14.447 -3.784 -5.314 1.00 0.00 H new ATOM 613 N PRO A 40 -15.115 4.032 -3.908 1.00 0.00 N ATOM 614 CA PRO A 40 -15.646 5.313 -3.376 1.00 0.00 C ATOM 615 C PRO A 40 -16.973 5.075 -2.649 1.00 0.00 C ATOM 616 O PRO A 40 -17.735 4.194 -3.006 1.00 0.00 O ATOM 617 CB PRO A 40 -15.874 6.156 -4.623 1.00 0.00 C ATOM 618 CG PRO A 40 -16.066 5.172 -5.735 1.00 0.00 C ATOM 619 CD PRO A 40 -15.328 3.911 -5.357 1.00 0.00 C ATOM 0 HA PRO A 40 -14.975 5.786 -2.660 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -16.748 6.797 -4.510 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -15.023 6.809 -4.818 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -17.126 4.966 -5.886 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -15.683 5.574 -6.673 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -15.910 3.022 -5.600 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -14.382 3.829 -5.892 1.00 0.00 H new ATOM 627 N TYR A 41 -17.264 5.858 -1.643 1.00 0.00 N ATOM 628 CA TYR A 41 -18.548 5.682 -0.902 1.00 0.00 C ATOM 629 C TYR A 41 -19.220 7.034 -0.676 1.00 0.00 C ATOM 630 O TYR A 41 -18.802 8.050 -1.203 1.00 0.00 O ATOM 631 CB TYR A 41 -18.174 5.044 0.440 1.00 0.00 C ATOM 632 CG TYR A 41 -17.660 3.635 0.224 1.00 0.00 C ATOM 633 CD1 TYR A 41 -18.388 2.733 -0.564 1.00 0.00 C ATOM 634 CD2 TYR A 41 -16.457 3.233 0.814 1.00 0.00 C ATOM 635 CE1 TYR A 41 -17.912 1.432 -0.762 1.00 0.00 C ATOM 636 CE2 TYR A 41 -15.982 1.930 0.616 1.00 0.00 C ATOM 637 CZ TYR A 41 -16.709 1.031 -0.171 1.00 0.00 C ATOM 638 OH TYR A 41 -16.235 -0.252 -0.368 1.00 0.00 O ATOM 0 H TYR A 41 -16.668 6.612 -1.302 1.00 0.00 H new ATOM 0 HA TYR A 41 -19.250 5.062 -1.459 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -17.412 5.645 0.937 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -19.044 5.025 1.097 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -19.317 3.042 -1.019 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -15.895 3.927 1.422 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -18.473 0.738 -1.371 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -15.053 1.619 1.072 1.00 0.00 H new ATOM 0 HH TYR A 41 -15.388 -0.365 0.111 1.00 0.00 H new ATOM 648 N LEU A 42 -20.268 7.045 0.101 1.00 0.00 N ATOM 649 CA LEU A 42 -20.995 8.317 0.367 1.00 0.00 C ATOM 650 C LEU A 42 -21.662 8.287 1.748 1.00 0.00 C ATOM 651 O LEU A 42 -22.129 7.260 2.207 1.00 0.00 O ATOM 652 CB LEU A 42 -22.056 8.391 -0.731 1.00 0.00 C ATOM 653 CG LEU A 42 -22.288 9.852 -1.127 1.00 0.00 C ATOM 654 CD1 LEU A 42 -21.223 10.286 -2.136 1.00 0.00 C ATOM 655 CD2 LEU A 42 -23.676 9.993 -1.760 1.00 0.00 C ATOM 0 H LEU A 42 -20.654 6.223 0.565 1.00 0.00 H new ATOM 0 HA LEU A 42 -20.327 9.178 0.363 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -21.735 7.815 -1.599 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -22.988 7.947 -0.380 1.00 0.00 H new ATOM 0 HG LEU A 42 -22.224 10.482 -0.240 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -21.390 11.326 -2.417 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -20.235 10.185 -1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -21.285 9.656 -3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -23.843 11.032 -2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -23.738 9.362 -2.646 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -24.436 9.685 -1.042 1.00 0.00 H new ATOM 667 N LYS A 43 -21.720 9.419 2.399 1.00 0.00 N ATOM 668 CA LYS A 43 -22.363 9.505 3.739 1.00 0.00 C ATOM 669 C LYS A 43 -23.640 10.348 3.638 1.00 0.00 C ATOM 670 O LYS A 43 -23.990 10.819 2.570 1.00 0.00 O ATOM 671 CB LYS A 43 -21.325 10.191 4.634 1.00 0.00 C ATOM 672 CG LYS A 43 -21.377 9.593 6.044 1.00 0.00 C ATOM 673 CD LYS A 43 -20.462 8.365 6.118 1.00 0.00 C ATOM 674 CE LYS A 43 -20.555 7.737 7.515 1.00 0.00 C ATOM 675 NZ LYS A 43 -19.145 7.465 7.919 1.00 0.00 N ATOM 0 H LYS A 43 -21.342 10.300 2.051 1.00 0.00 H new ATOM 0 HA LYS A 43 -22.650 8.531 4.135 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -20.328 10.065 4.212 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -21.520 11.263 4.676 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -21.064 10.337 6.777 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -22.400 9.312 6.293 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -20.752 7.637 5.361 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -19.432 8.653 5.905 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -21.042 8.412 8.218 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -21.143 6.819 7.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -19.132 7.035 8.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -18.708 6.813 7.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -18.611 8.357 7.937 1.00 0.00 H new ATOM 689 N ARG A 44 -24.335 10.531 4.738 1.00 0.00 N ATOM 690 CA ARG A 44 -25.604 11.338 4.732 1.00 0.00 C ATOM 691 C ARG A 44 -25.466 12.599 3.865 1.00 0.00 C ATOM 692 O ARG A 44 -26.390 12.988 3.174 1.00 0.00 O ATOM 693 CB ARG A 44 -25.841 11.724 6.197 1.00 0.00 C ATOM 694 CG ARG A 44 -26.474 10.548 6.948 1.00 0.00 C ATOM 695 CD ARG A 44 -27.890 10.925 7.396 1.00 0.00 C ATOM 696 NE ARG A 44 -28.228 9.949 8.473 1.00 0.00 N ATOM 697 CZ ARG A 44 -29.122 9.020 8.258 1.00 0.00 C ATOM 698 NH1 ARG A 44 -30.394 9.297 8.386 1.00 0.00 N ATOM 699 NH2 ARG A 44 -28.743 7.816 7.917 1.00 0.00 N ATOM 0 H ARG A 44 -24.076 10.153 5.649 1.00 0.00 H new ATOM 0 HA ARG A 44 -26.433 10.768 4.312 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -24.897 12.002 6.667 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -26.493 12.596 6.252 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -26.507 9.669 6.305 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -25.865 10.287 7.814 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -27.927 11.950 7.766 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -28.596 10.859 6.568 1.00 0.00 H new ATOM 0 HE ARG A 44 -27.761 10.007 9.378 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -30.687 10.237 8.653 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -31.093 8.573 8.219 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -27.750 7.602 7.819 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -29.440 7.090 7.749 1.00 0.00 H new ATOM 713 N PHE A 45 -24.320 13.234 3.893 1.00 0.00 N ATOM 714 CA PHE A 45 -24.118 14.463 3.067 1.00 0.00 C ATOM 715 C PHE A 45 -22.623 14.678 2.778 1.00 0.00 C ATOM 716 O PHE A 45 -22.112 15.777 2.903 1.00 0.00 O ATOM 717 CB PHE A 45 -24.681 15.609 3.918 1.00 0.00 C ATOM 718 CG PHE A 45 -25.711 16.374 3.119 1.00 0.00 C ATOM 719 CD1 PHE A 45 -25.300 17.284 2.138 1.00 0.00 C ATOM 720 CD2 PHE A 45 -27.075 16.172 3.361 1.00 0.00 C ATOM 721 CE1 PHE A 45 -26.254 17.993 1.398 1.00 0.00 C ATOM 722 CE2 PHE A 45 -28.028 16.881 2.621 1.00 0.00 C ATOM 723 CZ PHE A 45 -27.618 17.791 1.640 1.00 0.00 C ATOM 0 H PHE A 45 -23.515 12.953 4.453 1.00 0.00 H new ATOM 0 HA PHE A 45 -24.613 14.395 2.098 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -25.132 15.212 4.827 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -23.876 16.276 4.226 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -24.248 17.439 1.952 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -27.391 15.470 4.118 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -25.938 18.695 0.641 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -29.080 16.726 2.807 1.00 0.00 H new ATOM 0 HZ PHE A 45 -28.354 18.338 1.069 1.00 0.00 H new ATOM 733 N GLN A 46 -21.915 13.640 2.394 1.00 0.00 N ATOM 734 CA GLN A 46 -20.453 13.798 2.105 1.00 0.00 C ATOM 735 C GLN A 46 -19.917 12.626 1.271 1.00 0.00 C ATOM 736 O GLN A 46 -20.553 11.600 1.138 1.00 0.00 O ATOM 737 CB GLN A 46 -19.778 13.811 3.480 1.00 0.00 C ATOM 738 CG GLN A 46 -18.997 15.116 3.660 1.00 0.00 C ATOM 739 CD GLN A 46 -17.657 15.011 2.926 1.00 0.00 C ATOM 740 OE1 GLN A 46 -17.602 15.149 1.720 1.00 0.00 O ATOM 741 NE2 GLN A 46 -16.570 14.768 3.601 1.00 0.00 N ATOM 0 H GLN A 46 -22.284 12.697 2.269 1.00 0.00 H new ATOM 0 HA GLN A 46 -20.258 14.703 1.530 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -20.528 13.714 4.265 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -19.106 12.958 3.574 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -19.573 15.955 3.270 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -18.830 15.310 4.720 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -16.614 14.652 4.613 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -15.675 14.694 3.117 1.00 0.00 H new ATOM 750 N VAL A 47 -18.737 12.776 0.724 1.00 0.00 N ATOM 751 CA VAL A 47 -18.124 11.681 -0.089 1.00 0.00 C ATOM 752 C VAL A 47 -16.866 11.168 0.622 1.00 0.00 C ATOM 753 O VAL A 47 -16.065 11.943 1.117 1.00 0.00 O ATOM 754 CB VAL A 47 -17.762 12.318 -1.436 1.00 0.00 C ATOM 755 CG1 VAL A 47 -17.229 11.240 -2.385 1.00 0.00 C ATOM 756 CG2 VAL A 47 -19.006 12.967 -2.054 1.00 0.00 C ATOM 0 H VAL A 47 -18.167 13.618 0.807 1.00 0.00 H new ATOM 0 HA VAL A 47 -18.797 10.834 -0.223 1.00 0.00 H new ATOM 0 HB VAL A 47 -16.997 13.079 -1.278 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -16.972 11.693 -3.342 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -16.341 10.780 -1.951 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -17.994 10.479 -2.538 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -18.744 13.418 -3.011 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -19.773 12.208 -2.209 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -19.387 13.736 -1.382 1.00 0.00 H new ATOM 766 N TYR A 48 -16.689 9.873 0.683 1.00 0.00 N ATOM 767 CA TYR A 48 -15.488 9.315 1.368 1.00 0.00 C ATOM 768 C TYR A 48 -14.911 8.151 0.559 1.00 0.00 C ATOM 769 O TYR A 48 -15.612 7.222 0.205 1.00 0.00 O ATOM 770 CB TYR A 48 -15.994 8.833 2.731 1.00 0.00 C ATOM 771 CG TYR A 48 -16.196 10.018 3.650 1.00 0.00 C ATOM 772 CD1 TYR A 48 -15.089 10.756 4.092 1.00 0.00 C ATOM 773 CD2 TYR A 48 -17.487 10.378 4.060 1.00 0.00 C ATOM 774 CE1 TYR A 48 -15.274 11.853 4.941 1.00 0.00 C ATOM 775 CE2 TYR A 48 -17.670 11.474 4.910 1.00 0.00 C ATOM 776 CZ TYR A 48 -16.564 12.212 5.351 1.00 0.00 C ATOM 777 OH TYR A 48 -16.743 13.295 6.187 1.00 0.00 O ATOM 0 H TYR A 48 -17.324 9.180 0.288 1.00 0.00 H new ATOM 0 HA TYR A 48 -14.691 10.051 1.471 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -16.932 8.291 2.610 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -15.278 8.138 3.170 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.094 10.478 3.777 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -18.340 9.810 3.720 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -14.422 12.423 5.280 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -18.665 11.751 5.226 1.00 0.00 H new ATOM 0 HH TYR A 48 -17.698 13.409 6.375 1.00 0.00 H new ATOM 787 N TYR A 49 -13.636 8.197 0.269 1.00 0.00 N ATOM 788 CA TYR A 49 -12.999 7.097 -0.514 1.00 0.00 C ATOM 789 C TYR A 49 -12.408 6.053 0.436 1.00 0.00 C ATOM 790 O TYR A 49 -12.022 6.361 1.547 1.00 0.00 O ATOM 791 CB TYR A 49 -11.888 7.770 -1.327 1.00 0.00 C ATOM 792 CG TYR A 49 -12.221 7.708 -2.798 1.00 0.00 C ATOM 793 CD1 TYR A 49 -13.121 8.626 -3.351 1.00 0.00 C ATOM 794 CD2 TYR A 49 -11.627 6.734 -3.611 1.00 0.00 C ATOM 795 CE1 TYR A 49 -13.429 8.569 -4.714 1.00 0.00 C ATOM 796 CE2 TYR A 49 -11.935 6.677 -4.974 1.00 0.00 C ATOM 797 CZ TYR A 49 -12.836 7.595 -5.525 1.00 0.00 C ATOM 798 OH TYR A 49 -13.141 7.538 -6.870 1.00 0.00 O ATOM 0 H TYR A 49 -13.007 8.952 0.542 1.00 0.00 H new ATOM 0 HA TYR A 49 -13.714 6.582 -1.156 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -11.774 8.808 -1.014 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -10.936 7.274 -1.139 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -13.578 9.378 -2.725 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -10.931 6.027 -3.185 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -14.124 9.277 -5.141 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -11.478 5.925 -5.601 1.00 0.00 H new ATOM 0 HH TYR A 49 -12.919 8.394 -7.292 1.00 0.00 H new ATOM 808 N LYS A 50 -12.332 4.821 0.006 1.00 0.00 N ATOM 809 CA LYS A 50 -11.762 3.753 0.880 1.00 0.00 C ATOM 810 C LYS A 50 -11.085 2.680 0.028 1.00 0.00 C ATOM 811 O LYS A 50 -11.487 2.419 -1.089 1.00 0.00 O ATOM 812 CB LYS A 50 -12.962 3.166 1.625 1.00 0.00 C ATOM 813 CG LYS A 50 -12.511 1.977 2.483 1.00 0.00 C ATOM 814 CD LYS A 50 -13.585 1.656 3.526 1.00 0.00 C ATOM 815 CE LYS A 50 -14.216 0.292 3.219 1.00 0.00 C ATOM 816 NZ LYS A 50 -13.516 -0.678 4.112 1.00 0.00 N ATOM 0 H LYS A 50 -12.641 4.508 -0.914 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.007 4.140 1.564 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -13.419 3.929 2.256 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -13.722 2.845 0.913 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.333 1.107 1.851 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.568 2.210 2.978 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.145 1.647 4.523 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -14.352 2.431 3.522 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -15.288 0.302 3.414 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.085 0.026 2.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.898 -1.632 3.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.498 -0.673 3.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.664 -0.405 5.105 1.00 0.00 H new ATOM 830 N GLY A 51 -10.062 2.056 0.548 1.00 0.00 N ATOM 831 CA GLY A 51 -9.364 0.998 -0.233 1.00 0.00 C ATOM 832 C GLY A 51 -8.747 -0.032 0.714 1.00 0.00 C ATOM 833 O GLY A 51 -8.561 0.219 1.891 1.00 0.00 O ATOM 0 H GLY A 51 -9.681 2.234 1.478 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.067 0.509 -0.907 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.587 1.445 -0.853 1.00 0.00 H new ATOM 837 N ARG A 52 -8.432 -1.192 0.199 1.00 0.00 N ATOM 838 CA ARG A 52 -7.825 -2.261 1.046 1.00 0.00 C ATOM 839 C ARG A 52 -7.040 -3.237 0.164 1.00 0.00 C ATOM 840 O ARG A 52 -7.491 -3.622 -0.898 1.00 0.00 O ATOM 841 CB ARG A 52 -9.010 -2.965 1.710 1.00 0.00 C ATOM 842 CG ARG A 52 -8.593 -3.471 3.092 1.00 0.00 C ATOM 843 CD ARG A 52 -8.340 -4.981 3.033 1.00 0.00 C ATOM 844 NE ARG A 52 -9.286 -5.566 4.024 1.00 0.00 N ATOM 845 CZ ARG A 52 -9.886 -6.697 3.773 1.00 0.00 C ATOM 846 NH1 ARG A 52 -10.944 -6.716 3.005 1.00 0.00 N ATOM 847 NH2 ARG A 52 -9.429 -7.807 4.291 1.00 0.00 N ATOM 0 H ARG A 52 -8.570 -1.446 -0.779 1.00 0.00 H new ATOM 0 HA ARG A 52 -7.129 -1.864 1.785 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.851 -2.277 1.801 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.345 -3.798 1.092 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.692 -2.954 3.423 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -9.373 -3.251 3.821 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.523 -5.374 2.033 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.307 -5.219 3.285 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.465 -5.080 4.903 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.298 -5.848 2.604 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.415 -7.599 2.807 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.604 -7.788 4.891 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.897 -8.692 4.095 1.00 0.00 H new ATOM 861 N MET A 53 -5.868 -3.639 0.591 1.00 0.00 N ATOM 862 CA MET A 53 -5.059 -4.589 -0.231 1.00 0.00 C ATOM 863 C MET A 53 -4.435 -5.684 0.643 1.00 0.00 C ATOM 864 O MET A 53 -4.174 -5.491 1.817 1.00 0.00 O ATOM 865 CB MET A 53 -3.979 -3.731 -0.902 1.00 0.00 C ATOM 866 CG MET A 53 -2.900 -3.323 0.110 1.00 0.00 C ATOM 867 SD MET A 53 -1.338 -4.127 -0.325 1.00 0.00 S ATOM 868 CE MET A 53 -1.036 -3.223 -1.863 1.00 0.00 C ATOM 0 H MET A 53 -5.439 -3.351 1.470 1.00 0.00 H new ATOM 0 HA MET A 53 -5.673 -5.108 -0.967 1.00 0.00 H new ATOM 0 HB2 MET A 53 -3.524 -4.287 -1.721 1.00 0.00 H new ATOM 0 HB3 MET A 53 -4.433 -2.840 -1.335 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.777 -2.240 0.111 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.202 -3.610 1.117 1.00 0.00 H new ATOM 0 HE1 MET A 53 -1.161 -3.896 -2.711 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.745 -2.399 -1.946 1.00 0.00 H new ATOM 0 HE3 MET A 53 -0.020 -2.829 -1.860 1.00 0.00 H new ATOM 878 N TRP A 54 -4.201 -6.837 0.065 1.00 0.00 N ATOM 879 CA TRP A 54 -3.595 -7.972 0.834 1.00 0.00 C ATOM 880 C TRP A 54 -2.967 -8.987 -0.128 1.00 0.00 C ATOM 881 O TRP A 54 -3.366 -9.094 -1.271 1.00 0.00 O ATOM 882 CB TRP A 54 -4.759 -8.610 1.612 1.00 0.00 C ATOM 883 CG TRP A 54 -5.827 -9.073 0.664 1.00 0.00 C ATOM 884 CD1 TRP A 54 -5.908 -10.312 0.124 1.00 0.00 C ATOM 885 CD2 TRP A 54 -6.962 -8.323 0.137 1.00 0.00 C ATOM 886 NE1 TRP A 54 -7.019 -10.370 -0.699 1.00 0.00 N ATOM 887 CE2 TRP A 54 -7.700 -9.169 -0.724 1.00 0.00 C ATOM 888 CE3 TRP A 54 -7.417 -7.005 0.320 1.00 0.00 C ATOM 889 CZ2 TRP A 54 -8.847 -8.722 -1.381 1.00 0.00 C ATOM 890 CZ3 TRP A 54 -8.571 -6.552 -0.339 1.00 0.00 C ATOM 891 CH2 TRP A 54 -9.285 -7.409 -1.187 1.00 0.00 C ATOM 0 H TRP A 54 -4.405 -7.043 -0.913 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.803 -7.635 1.503 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.394 -9.453 2.199 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.175 -7.888 2.315 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.218 -11.123 0.306 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -7.300 -11.199 -1.223 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -6.875 -6.336 0.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -9.393 -9.386 -2.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -8.910 -5.537 -0.191 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -10.173 -7.055 -1.690 1.00 0.00 H new ATOM 902 N CYS A 55 -1.988 -9.732 0.321 1.00 0.00 N ATOM 903 CA CYS A 55 -1.341 -10.736 -0.576 1.00 0.00 C ATOM 904 C CYS A 55 -1.651 -12.162 -0.101 1.00 0.00 C ATOM 905 O CYS A 55 -0.931 -12.712 0.710 1.00 0.00 O ATOM 906 CB CYS A 55 0.160 -10.456 -0.484 1.00 0.00 C ATOM 907 SG CYS A 55 0.500 -8.751 -0.985 1.00 0.00 S ATOM 0 H CYS A 55 -1.610 -9.688 1.267 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.706 -10.658 -1.600 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.508 -10.621 0.536 1.00 0.00 H new ATOM 0 HB3 CYS A 55 0.708 -11.148 -1.123 1.00 0.00 H new ATOM 912 N PRO A 56 -2.718 -12.720 -0.629 1.00 0.00 N ATOM 913 CA PRO A 56 -3.120 -14.098 -0.256 1.00 0.00 C ATOM 914 C PRO A 56 -2.211 -15.122 -0.950 1.00 0.00 C ATOM 915 O PRO A 56 -2.468 -15.543 -2.065 1.00 0.00 O ATOM 916 CB PRO A 56 -4.558 -14.201 -0.757 1.00 0.00 C ATOM 917 CG PRO A 56 -4.664 -13.200 -1.865 1.00 0.00 C ATOM 918 CD PRO A 56 -3.638 -12.125 -1.609 1.00 0.00 C ATOM 0 HA PRO A 56 -3.038 -14.299 0.812 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.779 -15.207 -1.114 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -5.269 -13.982 0.040 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.487 -13.676 -2.829 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.666 -12.772 -1.900 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.117 -11.848 -2.525 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.101 -11.219 -1.219 1.00 0.00 H new ATOM 926 N GLY A 57 -1.146 -15.516 -0.299 1.00 0.00 N ATOM 927 CA GLY A 57 -0.210 -16.505 -0.909 1.00 0.00 C ATOM 928 C GLY A 57 1.211 -16.267 -0.385 1.00 0.00 C ATOM 929 O GLY A 57 1.886 -17.189 0.031 1.00 0.00 O ATOM 0 H GLY A 57 -0.885 -15.193 0.633 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.531 -17.519 -0.669 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.227 -16.414 -1.995 1.00 0.00 H new ATOM 933 N TRP A 58 1.669 -15.039 -0.403 1.00 0.00 N ATOM 934 CA TRP A 58 3.050 -14.740 0.091 1.00 0.00 C ATOM 935 C TRP A 58 3.084 -14.757 1.622 1.00 0.00 C ATOM 936 O TRP A 58 3.888 -15.442 2.225 1.00 0.00 O ATOM 937 CB TRP A 58 3.376 -13.340 -0.439 1.00 0.00 C ATOM 938 CG TRP A 58 4.762 -12.945 -0.028 1.00 0.00 C ATOM 939 CD1 TRP A 58 5.854 -13.743 -0.087 1.00 0.00 C ATOM 940 CD2 TRP A 58 5.218 -11.668 0.504 1.00 0.00 C ATOM 941 NE1 TRP A 58 6.949 -13.035 0.374 1.00 0.00 N ATOM 942 CE2 TRP A 58 6.608 -11.751 0.747 1.00 0.00 C ATOM 943 CE3 TRP A 58 4.566 -10.456 0.793 1.00 0.00 C ATOM 944 CZ2 TRP A 58 7.326 -10.670 1.260 1.00 0.00 C ATOM 945 CZ3 TRP A 58 5.285 -9.366 1.309 1.00 0.00 C ATOM 946 CH2 TRP A 58 6.663 -9.473 1.542 1.00 0.00 C ATOM 0 H TRP A 58 1.146 -14.230 -0.739 1.00 0.00 H new ATOM 0 HA TRP A 58 3.774 -15.480 -0.250 1.00 0.00 H new ATOM 0 HB2 TRP A 58 3.292 -13.325 -1.526 1.00 0.00 H new ATOM 0 HB3 TRP A 58 2.655 -12.619 -0.054 1.00 0.00 H new ATOM 0 HD1 TRP A 58 5.868 -14.765 -0.437 1.00 0.00 H new ATOM 0 HE1 TRP A 58 7.894 -13.416 0.431 1.00 0.00 H new ATOM 0 HE3 TRP A 58 3.505 -10.363 0.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 8.388 -10.758 1.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 4.774 -8.440 1.528 1.00 0.00 H new ATOM 0 HH2 TRP A 58 7.211 -8.631 1.939 1.00 0.00 H new ATOM 957 N THR A 59 2.220 -14.002 2.250 1.00 0.00 N ATOM 958 CA THR A 59 2.195 -13.961 3.741 1.00 0.00 C ATOM 959 C THR A 59 0.753 -13.789 4.237 1.00 0.00 C ATOM 960 O THR A 59 -0.193 -13.884 3.477 1.00 0.00 O ATOM 961 CB THR A 59 3.064 -12.749 4.125 1.00 0.00 C ATOM 962 OG1 THR A 59 3.128 -12.638 5.542 1.00 0.00 O ATOM 963 CG2 THR A 59 2.466 -11.467 3.536 1.00 0.00 C ATOM 0 H THR A 59 1.528 -13.410 1.791 1.00 0.00 H new ATOM 0 HA THR A 59 2.573 -14.879 4.191 1.00 0.00 H new ATOM 0 HB THR A 59 4.068 -12.890 3.725 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.394 -11.727 5.787 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.087 -10.615 3.813 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.426 -11.550 2.450 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.458 -11.323 3.926 1.00 0.00 H new ATOM 971 N ALA A 60 0.584 -13.535 5.507 1.00 0.00 N ATOM 972 CA ALA A 60 -0.786 -13.353 6.070 1.00 0.00 C ATOM 973 C ALA A 60 -0.927 -11.941 6.654 1.00 0.00 C ATOM 974 O ALA A 60 -1.175 -11.764 7.833 1.00 0.00 O ATOM 975 CB ALA A 60 -0.908 -14.416 7.166 1.00 0.00 C ATOM 0 H ALA A 60 1.342 -13.445 6.184 1.00 0.00 H new ATOM 0 HA ALA A 60 -1.567 -13.462 5.318 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.892 -14.348 7.631 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.781 -15.406 6.728 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.138 -14.251 7.920 1.00 0.00 H new ATOM 981 N ILE A 61 -0.766 -10.936 5.831 1.00 0.00 N ATOM 982 CA ILE A 61 -0.886 -9.530 6.319 1.00 0.00 C ATOM 983 C ILE A 61 -1.870 -8.753 5.433 1.00 0.00 C ATOM 984 O ILE A 61 -2.081 -9.088 4.283 1.00 0.00 O ATOM 985 CB ILE A 61 0.533 -8.947 6.215 1.00 0.00 C ATOM 986 CG1 ILE A 61 1.421 -9.572 7.299 1.00 0.00 C ATOM 987 CG2 ILE A 61 0.492 -7.427 6.410 1.00 0.00 C ATOM 988 CD1 ILE A 61 2.875 -9.141 7.090 1.00 0.00 C ATOM 0 H ILE A 61 -0.556 -11.030 4.837 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.266 -9.471 7.339 1.00 0.00 H new ATOM 0 HB ILE A 61 0.939 -9.171 5.229 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.078 -9.262 8.286 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.345 -10.659 7.262 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.502 -7.023 6.335 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.137 -6.978 5.641 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.082 -7.197 7.393 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.501 -9.587 7.862 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.216 -9.473 6.109 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.945 -8.055 7.149 1.00 0.00 H new ATOM 1000 N ARG A 62 -2.472 -7.718 5.964 1.00 0.00 N ATOM 1001 CA ARG A 62 -3.440 -6.912 5.160 1.00 0.00 C ATOM 1002 C ARG A 62 -3.225 -5.418 5.404 1.00 0.00 C ATOM 1003 O ARG A 62 -2.637 -5.016 6.391 1.00 0.00 O ATOM 1004 CB ARG A 62 -4.837 -7.333 5.629 1.00 0.00 C ATOM 1005 CG ARG A 62 -4.864 -7.507 7.154 1.00 0.00 C ATOM 1006 CD ARG A 62 -6.299 -7.355 7.664 1.00 0.00 C ATOM 1007 NE ARG A 62 -6.565 -5.887 7.646 1.00 0.00 N ATOM 1008 CZ ARG A 62 -6.955 -5.280 8.733 1.00 0.00 C ATOM 1009 NH1 ARG A 62 -8.196 -5.392 9.131 1.00 0.00 N ATOM 1010 NH2 ARG A 62 -6.106 -4.559 9.420 1.00 0.00 N ATOM 0 H ARG A 62 -2.334 -7.396 6.922 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.309 -7.086 4.092 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.569 -6.582 5.330 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.123 -8.267 5.146 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.473 -8.488 7.425 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.219 -6.766 7.626 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.003 -7.891 7.027 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.405 -7.763 8.669 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.442 -5.357 6.783 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.856 -5.953 8.592 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.504 -4.919 9.980 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.140 -4.472 9.106 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.411 -4.084 10.270 1.00 0.00 H new ATOM 1024 N GLY A 63 -3.700 -4.598 4.508 1.00 0.00 N ATOM 1025 CA GLY A 63 -3.533 -3.124 4.672 1.00 0.00 C ATOM 1026 C GLY A 63 -4.810 -2.413 4.233 1.00 0.00 C ATOM 1027 O GLY A 63 -5.388 -2.736 3.215 1.00 0.00 O ATOM 0 H GLY A 63 -4.199 -4.885 3.666 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.312 -2.886 5.712 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.688 -2.775 4.079 1.00 0.00 H new ATOM 1031 N GLU A 64 -5.256 -1.450 4.997 1.00 0.00 N ATOM 1032 CA GLU A 64 -6.502 -0.712 4.629 1.00 0.00 C ATOM 1033 C GLU A 64 -6.304 0.792 4.837 1.00 0.00 C ATOM 1034 O GLU A 64 -5.529 1.215 5.676 1.00 0.00 O ATOM 1035 CB GLU A 64 -7.608 -1.230 5.565 1.00 0.00 C ATOM 1036 CG GLU A 64 -7.274 -2.635 6.090 1.00 0.00 C ATOM 1037 CD GLU A 64 -8.450 -3.174 6.907 1.00 0.00 C ATOM 1038 OE1 GLU A 64 -8.734 -2.606 7.951 1.00 0.00 O ATOM 1039 OE2 GLU A 64 -9.043 -4.151 6.478 1.00 0.00 O ATOM 0 H GLU A 64 -4.811 -1.142 5.861 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.760 -0.872 3.582 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.730 -0.544 6.404 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.558 -1.254 5.032 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.061 -3.304 5.256 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.376 -2.599 6.707 1.00 0.00 H new ATOM 1046 N ALA A 65 -7.002 1.602 4.085 1.00 0.00 N ATOM 1047 CA ALA A 65 -6.859 3.083 4.241 1.00 0.00 C ATOM 1048 C ALA A 65 -8.036 3.809 3.584 1.00 0.00 C ATOM 1049 O ALA A 65 -8.437 3.485 2.481 1.00 0.00 O ATOM 1050 CB ALA A 65 -5.554 3.436 3.532 1.00 0.00 C ATOM 0 H ALA A 65 -7.665 1.304 3.369 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.849 3.382 5.289 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.380 4.510 3.604 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.728 2.902 4.003 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.621 3.149 2.483 1.00 0.00 H new ATOM 1056 N SER A 66 -8.588 4.792 4.253 1.00 0.00 N ATOM 1057 CA SER A 66 -9.740 5.547 3.668 1.00 0.00 C ATOM 1058 C SER A 66 -9.564 7.052 3.899 1.00 0.00 C ATOM 1059 O SER A 66 -9.094 7.482 4.935 1.00 0.00 O ATOM 1060 CB SER A 66 -10.988 5.039 4.395 1.00 0.00 C ATOM 1061 OG SER A 66 -10.845 3.656 4.700 1.00 0.00 O ATOM 0 H SER A 66 -8.291 5.104 5.178 1.00 0.00 H new ATOM 0 HA SER A 66 -9.814 5.393 2.591 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.142 5.608 5.312 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.869 5.193 3.773 1.00 0.00 H new ATOM 0 HG SER A 66 -11.647 3.339 5.166 1.00 0.00 H new ATOM 1067 N THR A 67 -9.949 7.852 2.937 1.00 0.00 N ATOM 1068 CA THR A 67 -9.820 9.337 3.078 1.00 0.00 C ATOM 1069 C THR A 67 -10.616 10.045 1.970 1.00 0.00 C ATOM 1070 O THR A 67 -11.199 9.412 1.110 1.00 0.00 O ATOM 1071 CB THR A 67 -8.314 9.634 2.954 1.00 0.00 C ATOM 1072 OG1 THR A 67 -8.102 11.040 3.011 1.00 0.00 O ATOM 1073 CG2 THR A 67 -7.770 9.086 1.631 1.00 0.00 C ATOM 0 H THR A 67 -10.350 7.539 2.053 1.00 0.00 H new ATOM 0 HA THR A 67 -10.217 9.696 4.028 1.00 0.00 H new ATOM 0 HB THR A 67 -7.789 9.149 3.777 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.749 11.353 2.152 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.704 9.304 1.558 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.924 8.008 1.593 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.294 9.556 0.799 1.00 0.00 H new ATOM 1081 N ARG A 68 -10.643 11.355 1.988 1.00 0.00 N ATOM 1082 CA ARG A 68 -11.401 12.111 0.940 1.00 0.00 C ATOM 1083 C ARG A 68 -10.689 12.015 -0.420 1.00 0.00 C ATOM 1084 O ARG A 68 -11.323 12.032 -1.458 1.00 0.00 O ATOM 1085 CB ARG A 68 -11.427 13.564 1.431 1.00 0.00 C ATOM 1086 CG ARG A 68 -12.613 13.766 2.382 1.00 0.00 C ATOM 1087 CD ARG A 68 -12.142 13.638 3.836 1.00 0.00 C ATOM 1088 NE ARG A 68 -12.246 15.014 4.410 1.00 0.00 N ATOM 1089 CZ ARG A 68 -13.415 15.509 4.723 1.00 0.00 C ATOM 1090 NH1 ARG A 68 -14.074 15.032 5.747 1.00 0.00 N ATOM 1091 NH2 ARG A 68 -13.920 16.481 4.010 1.00 0.00 N ATOM 0 H ARG A 68 -10.173 11.935 2.683 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.405 11.710 0.797 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -10.494 13.802 1.942 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -11.509 14.243 0.583 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -13.058 14.748 2.220 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -13.387 13.027 2.175 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -12.763 12.934 4.389 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -11.118 13.268 3.886 1.00 0.00 H new ATOM 0 HE ARG A 68 -11.403 15.568 4.558 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -13.676 14.274 6.301 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -14.986 15.418 5.991 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -13.402 16.851 3.213 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -14.832 16.870 4.251 1.00 0.00 H new ATOM 1105 N SER A 69 -9.381 11.916 -0.419 1.00 0.00 N ATOM 1106 CA SER A 69 -8.623 11.822 -1.710 1.00 0.00 C ATOM 1107 C SER A 69 -8.989 10.536 -2.469 1.00 0.00 C ATOM 1108 O SER A 69 -9.207 9.493 -1.879 1.00 0.00 O ATOM 1109 CB SER A 69 -7.131 11.812 -1.331 1.00 0.00 C ATOM 1110 OG SER A 69 -6.976 11.667 0.079 1.00 0.00 O ATOM 0 H SER A 69 -8.803 11.896 0.421 1.00 0.00 H new ATOM 0 HA SER A 69 -8.865 12.658 -2.367 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.625 10.995 -1.845 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.659 12.737 -1.662 1.00 0.00 H new ATOM 0 HG SER A 69 -6.022 11.661 0.304 1.00 0.00 H new ATOM 1116 N GLN A 70 -9.057 10.614 -3.777 1.00 0.00 N ATOM 1117 CA GLN A 70 -9.407 9.412 -4.600 1.00 0.00 C ATOM 1118 C GLN A 70 -8.175 8.517 -4.791 1.00 0.00 C ATOM 1119 O GLN A 70 -8.222 7.327 -4.545 1.00 0.00 O ATOM 1120 CB GLN A 70 -9.881 9.969 -5.947 1.00 0.00 C ATOM 1121 CG GLN A 70 -11.136 10.822 -5.742 1.00 0.00 C ATOM 1122 CD GLN A 70 -11.856 11.004 -7.080 1.00 0.00 C ATOM 1123 OE1 GLN A 70 -12.585 10.134 -7.511 1.00 0.00 O ATOM 1124 NE2 GLN A 70 -11.684 12.106 -7.758 1.00 0.00 N ATOM 0 H GLN A 70 -8.884 11.464 -4.313 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.172 8.799 -4.123 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.092 10.569 -6.401 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.095 9.151 -6.635 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.800 10.343 -5.022 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.865 11.793 -5.328 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -11.072 12.837 -7.396 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -12.162 12.236 -8.650 1.00 0.00 H new ATOM 1133 N SER A 71 -7.072 9.083 -5.218 1.00 0.00 N ATOM 1134 CA SER A 71 -5.834 8.271 -5.413 1.00 0.00 C ATOM 1135 C SER A 71 -5.057 8.179 -4.095 1.00 0.00 C ATOM 1136 O SER A 71 -4.368 7.209 -3.842 1.00 0.00 O ATOM 1137 CB SER A 71 -5.018 9.018 -6.469 1.00 0.00 C ATOM 1138 OG SER A 71 -5.379 8.541 -7.759 1.00 0.00 O ATOM 0 H SER A 71 -6.977 10.074 -5.440 1.00 0.00 H new ATOM 0 HA SER A 71 -6.056 7.251 -5.728 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.204 10.090 -6.399 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.952 8.867 -6.297 1.00 0.00 H new ATOM 0 HG SER A 71 -4.861 9.017 -8.441 1.00 0.00 H new ATOM 1144 N GLY A 72 -5.171 9.181 -3.253 1.00 0.00 N ATOM 1145 CA GLY A 72 -4.451 9.162 -1.944 1.00 0.00 C ATOM 1146 C GLY A 72 -4.906 7.952 -1.120 1.00 0.00 C ATOM 1147 O GLY A 72 -4.108 7.313 -0.463 1.00 0.00 O ATOM 0 H GLY A 72 -5.736 10.014 -3.420 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.375 9.116 -2.111 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.650 10.083 -1.396 1.00 0.00 H new ATOM 1151 N VAL A 73 -6.179 7.626 -1.158 1.00 0.00 N ATOM 1152 CA VAL A 73 -6.678 6.445 -0.380 1.00 0.00 C ATOM 1153 C VAL A 73 -6.012 5.157 -0.882 1.00 0.00 C ATOM 1154 O VAL A 73 -5.697 4.270 -0.110 1.00 0.00 O ATOM 1155 CB VAL A 73 -8.200 6.413 -0.609 1.00 0.00 C ATOM 1156 CG1 VAL A 73 -8.527 5.802 -1.972 1.00 0.00 C ATOM 1157 CG2 VAL A 73 -8.856 5.573 0.485 1.00 0.00 C ATOM 0 H VAL A 73 -6.891 8.125 -1.692 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.441 6.523 0.681 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.580 7.434 -0.580 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -9.608 5.788 -2.115 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -8.065 6.398 -2.758 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -8.142 4.783 -2.016 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.934 5.548 0.327 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.460 4.558 0.451 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.642 6.013 1.459 1.00 0.00 H new ATOM 1167 N ALA A 74 -5.786 5.058 -2.170 1.00 0.00 N ATOM 1168 CA ALA A 74 -5.131 3.840 -2.734 1.00 0.00 C ATOM 1169 C ALA A 74 -3.669 3.783 -2.284 1.00 0.00 C ATOM 1170 O ALA A 74 -3.184 2.749 -1.867 1.00 0.00 O ATOM 1171 CB ALA A 74 -5.224 3.998 -4.255 1.00 0.00 C ATOM 0 H ALA A 74 -6.029 5.773 -2.856 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.607 2.919 -2.398 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.762 3.138 -4.739 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.271 4.062 -4.551 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.705 4.907 -4.559 1.00 0.00 H new ATOM 1177 N GLY A 75 -2.973 4.890 -2.353 1.00 0.00 N ATOM 1178 CA GLY A 75 -1.545 4.916 -1.919 1.00 0.00 C ATOM 1179 C GLY A 75 -1.459 4.577 -0.426 1.00 0.00 C ATOM 1180 O GLY A 75 -0.533 3.923 0.014 1.00 0.00 O ATOM 0 H GLY A 75 -3.336 5.781 -2.693 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.964 4.199 -2.500 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.115 5.900 -2.105 1.00 0.00 H new ATOM 1184 N LYS A 76 -2.423 5.011 0.353 1.00 0.00 N ATOM 1185 CA LYS A 76 -2.403 4.707 1.814 1.00 0.00 C ATOM 1186 C LYS A 76 -2.664 3.213 2.041 1.00 0.00 C ATOM 1187 O LYS A 76 -2.058 2.599 2.896 1.00 0.00 O ATOM 1188 CB LYS A 76 -3.524 5.556 2.423 1.00 0.00 C ATOM 1189 CG LYS A 76 -3.022 6.984 2.658 1.00 0.00 C ATOM 1190 CD LYS A 76 -2.948 7.265 4.161 1.00 0.00 C ATOM 1191 CE LYS A 76 -2.729 8.765 4.393 1.00 0.00 C ATOM 1192 NZ LYS A 76 -2.848 8.961 5.867 1.00 0.00 N ATOM 0 H LYS A 76 -3.221 5.562 0.037 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.440 4.935 2.270 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.386 5.569 1.757 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.855 5.117 3.364 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.039 7.113 2.205 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.690 7.698 2.177 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.868 6.942 4.647 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.134 6.695 4.608 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.749 9.079 4.033 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -3.470 9.358 3.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.709 9.966 6.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.793 8.662 6.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.125 8.392 6.352 1.00 0.00 H new ATOM 1206 N THR A 77 -3.552 2.624 1.272 1.00 0.00 N ATOM 1207 CA THR A 77 -3.841 1.166 1.432 1.00 0.00 C ATOM 1208 C THR A 77 -2.561 0.361 1.186 1.00 0.00 C ATOM 1209 O THR A 77 -2.230 -0.542 1.933 1.00 0.00 O ATOM 1210 CB THR A 77 -4.908 0.851 0.371 1.00 0.00 C ATOM 1211 OG1 THR A 77 -6.174 1.328 0.812 1.00 0.00 O ATOM 1212 CG2 THR A 77 -4.990 -0.659 0.138 1.00 0.00 C ATOM 0 H THR A 77 -4.088 3.093 0.541 1.00 0.00 H new ATOM 0 HA THR A 77 -4.191 0.910 2.432 1.00 0.00 H new ATOM 0 HB THR A 77 -4.634 1.343 -0.562 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.256 2.281 0.601 1.00 0.00 H new ATOM 0 HG21 THR A 77 -5.749 -0.870 -0.615 1.00 0.00 H new ATOM 0 HG22 THR A 77 -4.024 -1.027 -0.207 1.00 0.00 H new ATOM 0 HG23 THR A 77 -5.256 -1.157 1.070 1.00 0.00 H new ATOM 1220 N ALA A 78 -1.833 0.695 0.150 1.00 0.00 N ATOM 1221 CA ALA A 78 -0.564 -0.036 -0.140 1.00 0.00 C ATOM 1222 C ALA A 78 0.489 0.306 0.922 1.00 0.00 C ATOM 1223 O ALA A 78 1.270 -0.535 1.327 1.00 0.00 O ATOM 1224 CB ALA A 78 -0.125 0.454 -1.522 1.00 0.00 C ATOM 0 H ALA A 78 -2.063 1.441 -0.506 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.693 -1.118 -0.123 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.804 -0.040 -1.805 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.898 0.220 -2.254 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.032 1.532 -1.493 1.00 0.00 H new ATOM 1230 N LYS A 79 0.505 1.533 1.383 1.00 0.00 N ATOM 1231 CA LYS A 79 1.493 1.934 2.427 1.00 0.00 C ATOM 1232 C LYS A 79 1.186 1.209 3.740 1.00 0.00 C ATOM 1233 O LYS A 79 2.082 0.772 4.436 1.00 0.00 O ATOM 1234 CB LYS A 79 1.319 3.446 2.594 1.00 0.00 C ATOM 1235 CG LYS A 79 2.549 4.032 3.296 1.00 0.00 C ATOM 1236 CD LYS A 79 2.122 5.201 4.190 1.00 0.00 C ATOM 1237 CE LYS A 79 2.304 6.523 3.435 1.00 0.00 C ATOM 1238 NZ LYS A 79 1.088 7.329 3.753 1.00 0.00 N ATOM 0 H LYS A 79 -0.126 2.274 1.079 1.00 0.00 H new ATOM 0 HA LYS A 79 2.515 1.677 2.147 1.00 0.00 H new ATOM 0 HB2 LYS A 79 1.186 3.916 1.620 1.00 0.00 H new ATOM 0 HB3 LYS A 79 0.421 3.657 3.175 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.039 3.264 3.894 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.274 4.372 2.557 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.080 5.082 4.488 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.716 5.208 5.104 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.211 7.037 3.754 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.394 6.354 2.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.144 8.248 3.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.240 6.820 3.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.031 7.481 4.780 1.00 0.00 H new ATOM 1252 N ASP A 80 -0.076 1.072 4.080 1.00 0.00 N ATOM 1253 CA ASP A 80 -0.441 0.367 5.345 1.00 0.00 C ATOM 1254 C ASP A 80 0.009 -1.094 5.281 1.00 0.00 C ATOM 1255 O ASP A 80 0.521 -1.632 6.244 1.00 0.00 O ATOM 1256 CB ASP A 80 -1.967 0.463 5.448 1.00 0.00 C ATOM 1257 CG ASP A 80 -2.347 1.567 6.439 1.00 0.00 C ATOM 1258 OD1 ASP A 80 -2.262 1.319 7.631 1.00 0.00 O ATOM 1259 OD2 ASP A 80 -2.711 2.640 5.990 1.00 0.00 O ATOM 0 H ASP A 80 -0.865 1.419 3.535 1.00 0.00 H new ATOM 0 HA ASP A 80 0.043 0.812 6.215 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.395 0.677 4.469 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.380 -0.491 5.775 1.00 0.00 H new ATOM 1264 N PHE A 81 -0.159 -1.737 4.149 1.00 0.00 N ATOM 1265 CA PHE A 81 0.286 -3.157 4.030 1.00 0.00 C ATOM 1266 C PHE A 81 1.819 -3.213 4.056 1.00 0.00 C ATOM 1267 O PHE A 81 2.407 -4.072 4.687 1.00 0.00 O ATOM 1268 CB PHE A 81 -0.258 -3.648 2.684 1.00 0.00 C ATOM 1269 CG PHE A 81 0.189 -5.073 2.438 1.00 0.00 C ATOM 1270 CD1 PHE A 81 1.476 -5.329 1.943 1.00 0.00 C ATOM 1271 CD2 PHE A 81 -0.680 -6.136 2.706 1.00 0.00 C ATOM 1272 CE1 PHE A 81 1.890 -6.648 1.718 1.00 0.00 C ATOM 1273 CE2 PHE A 81 -0.264 -7.454 2.480 1.00 0.00 C ATOM 1274 CZ PHE A 81 1.020 -7.709 1.987 1.00 0.00 C ATOM 0 H PHE A 81 -0.582 -1.341 3.310 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.076 -3.779 4.848 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -1.347 -3.593 2.680 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.097 -3.002 1.881 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.148 -4.509 1.735 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -1.671 -5.940 3.087 1.00 0.00 H new ATOM 0 HE1 PHE A 81 2.881 -6.845 1.337 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.935 -8.274 2.687 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.340 -8.726 1.814 1.00 0.00 H new ATOM 1284 N VAL A 82 2.466 -2.292 3.382 1.00 0.00 N ATOM 1285 CA VAL A 82 3.960 -2.277 3.373 1.00 0.00 C ATOM 1286 C VAL A 82 4.479 -1.965 4.780 1.00 0.00 C ATOM 1287 O VAL A 82 5.461 -2.531 5.225 1.00 0.00 O ATOM 1288 CB VAL A 82 4.352 -1.170 2.382 1.00 0.00 C ATOM 1289 CG1 VAL A 82 5.849 -0.870 2.501 1.00 0.00 C ATOM 1290 CG2 VAL A 82 4.045 -1.632 0.955 1.00 0.00 C ATOM 0 H VAL A 82 2.023 -1.551 2.839 1.00 0.00 H new ATOM 0 HA VAL A 82 4.386 -3.236 3.080 1.00 0.00 H new ATOM 0 HB VAL A 82 3.783 -0.269 2.610 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.120 -0.084 1.796 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.075 -0.541 3.515 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.420 -1.771 2.277 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.323 -0.848 0.251 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.614 -2.535 0.735 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.980 -1.843 0.862 1.00 0.00 H new ATOM 1300 N ARG A 83 3.815 -1.082 5.490 1.00 0.00 N ATOM 1301 CA ARG A 83 4.260 -0.744 6.875 1.00 0.00 C ATOM 1302 C ARG A 83 4.080 -1.963 7.788 1.00 0.00 C ATOM 1303 O ARG A 83 4.911 -2.239 8.632 1.00 0.00 O ATOM 1304 CB ARG A 83 3.352 0.409 7.318 1.00 0.00 C ATOM 1305 CG ARG A 83 4.064 1.245 8.383 1.00 0.00 C ATOM 1306 CD ARG A 83 3.839 0.617 9.760 1.00 0.00 C ATOM 1307 NE ARG A 83 4.051 1.730 10.727 1.00 0.00 N ATOM 1308 CZ ARG A 83 5.179 1.820 11.380 1.00 0.00 C ATOM 1309 NH1 ARG A 83 5.341 1.150 12.493 1.00 0.00 N ATOM 1310 NH2 ARG A 83 6.141 2.577 10.920 1.00 0.00 N ATOM 0 H ARG A 83 2.986 -0.583 5.168 1.00 0.00 H new ATOM 0 HA ARG A 83 5.312 -0.463 6.920 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.097 1.034 6.462 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.416 0.016 7.716 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.131 1.298 8.166 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.685 2.267 8.371 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.834 0.204 9.847 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.536 -0.201 9.940 1.00 0.00 H new ATOM 0 HE ARG A 83 3.316 2.421 10.879 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.588 0.560 12.847 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.220 1.218 13.006 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.010 3.097 10.052 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.022 2.648 11.429 1.00 0.00 H new ATOM 1324 N LYS A 84 3.009 -2.703 7.615 1.00 0.00 N ATOM 1325 CA LYS A 84 2.784 -3.916 8.464 1.00 0.00 C ATOM 1326 C LYS A 84 3.862 -4.963 8.171 1.00 0.00 C ATOM 1327 O LYS A 84 4.360 -5.618 9.067 1.00 0.00 O ATOM 1328 CB LYS A 84 1.398 -4.442 8.071 1.00 0.00 C ATOM 1329 CG LYS A 84 0.396 -4.136 9.188 1.00 0.00 C ATOM 1330 CD LYS A 84 -0.197 -5.445 9.719 1.00 0.00 C ATOM 1331 CE LYS A 84 -0.710 -5.235 11.149 1.00 0.00 C ATOM 1332 NZ LYS A 84 0.034 -6.224 11.981 1.00 0.00 N ATOM 0 H LYS A 84 2.282 -2.519 6.923 1.00 0.00 H new ATOM 0 HA LYS A 84 2.836 -3.688 9.529 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.073 -3.978 7.140 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.443 -5.516 7.893 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.890 -3.595 9.995 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.398 -3.492 8.811 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.012 -5.775 9.074 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.559 -6.230 9.705 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.524 -4.216 11.488 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.786 -5.400 11.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.266 -6.138 12.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.168 -7.186 11.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.055 -6.039 11.911 1.00 0.00 H new ATOM 1346 N ALA A 85 4.235 -5.112 6.921 1.00 0.00 N ATOM 1347 CA ALA A 85 5.298 -6.100 6.564 1.00 0.00 C ATOM 1348 C ALA A 85 6.652 -5.607 7.091 1.00 0.00 C ATOM 1349 O ALA A 85 7.480 -6.386 7.524 1.00 0.00 O ATOM 1350 CB ALA A 85 5.304 -6.159 5.035 1.00 0.00 C ATOM 0 H ALA A 85 3.848 -4.591 6.134 1.00 0.00 H new ATOM 0 HA ALA A 85 5.116 -7.083 6.998 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.063 -6.867 4.701 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.325 -6.481 4.679 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.528 -5.171 4.634 1.00 0.00 H new ATOM 1356 N PHE A 86 6.869 -4.310 7.069 1.00 0.00 N ATOM 1357 CA PHE A 86 8.155 -3.743 7.581 1.00 0.00 C ATOM 1358 C PHE A 86 8.293 -4.048 9.078 1.00 0.00 C ATOM 1359 O PHE A 86 9.355 -4.409 9.550 1.00 0.00 O ATOM 1360 CB PHE A 86 8.052 -2.227 7.352 1.00 0.00 C ATOM 1361 CG PHE A 86 9.120 -1.777 6.382 1.00 0.00 C ATOM 1362 CD1 PHE A 86 10.451 -1.678 6.802 1.00 0.00 C ATOM 1363 CD2 PHE A 86 8.776 -1.451 5.064 1.00 0.00 C ATOM 1364 CE1 PHE A 86 11.439 -1.253 5.906 1.00 0.00 C ATOM 1365 CE2 PHE A 86 9.764 -1.026 4.167 1.00 0.00 C ATOM 1366 CZ PHE A 86 11.096 -0.928 4.590 1.00 0.00 C ATOM 0 H PHE A 86 6.206 -3.620 6.716 1.00 0.00 H new ATOM 0 HA PHE A 86 9.024 -4.167 7.078 1.00 0.00 H new ATOM 0 HB2 PHE A 86 7.066 -1.976 6.962 1.00 0.00 H new ATOM 0 HB3 PHE A 86 8.164 -1.699 8.299 1.00 0.00 H new ATOM 0 HD1 PHE A 86 10.716 -1.930 7.818 1.00 0.00 H new ATOM 0 HD2 PHE A 86 7.749 -1.527 4.739 1.00 0.00 H new ATOM 0 HE1 PHE A 86 12.466 -1.176 6.231 1.00 0.00 H new ATOM 0 HE2 PHE A 86 9.499 -0.774 3.151 1.00 0.00 H new ATOM 0 HZ PHE A 86 11.859 -0.601 3.899 1.00 0.00 H new ATOM 1376 N GLN A 87 7.221 -3.911 9.825 1.00 0.00 N ATOM 1377 CA GLN A 87 7.278 -4.201 11.291 1.00 0.00 C ATOM 1378 C GLN A 87 7.496 -5.703 11.530 1.00 0.00 C ATOM 1379 O GLN A 87 8.194 -6.097 12.445 1.00 0.00 O ATOM 1380 CB GLN A 87 5.916 -3.763 11.841 1.00 0.00 C ATOM 1381 CG GLN A 87 6.059 -2.426 12.571 1.00 0.00 C ATOM 1382 CD GLN A 87 6.451 -2.679 14.029 1.00 0.00 C ATOM 1383 OE1 GLN A 87 5.619 -3.030 14.842 1.00 0.00 O ATOM 1384 NE2 GLN A 87 7.693 -2.516 14.397 1.00 0.00 N ATOM 0 H GLN A 87 6.309 -3.610 9.480 1.00 0.00 H new ATOM 0 HA GLN A 87 8.101 -3.679 11.779 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.198 -3.668 11.027 1.00 0.00 H new ATOM 0 HB3 GLN A 87 5.528 -4.520 12.522 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.815 -1.812 12.082 1.00 0.00 H new ATOM 0 HG3 GLN A 87 5.121 -1.873 12.526 1.00 0.00 H new ATOM 0 HE21 GLN A 87 8.392 -2.221 13.715 1.00 0.00 H new ATOM 0 HE22 GLN A 87 7.964 -2.683 15.366 1.00 0.00 H new ATOM 1393 N LYS A 88 6.901 -6.542 10.714 1.00 0.00 N ATOM 1394 CA LYS A 88 7.069 -8.019 10.892 1.00 0.00 C ATOM 1395 C LYS A 88 8.471 -8.456 10.450 1.00 0.00 C ATOM 1396 O LYS A 88 9.205 -9.067 11.203 1.00 0.00 O ATOM 1397 CB LYS A 88 6.003 -8.657 9.995 1.00 0.00 C ATOM 1398 CG LYS A 88 4.667 -8.711 10.741 1.00 0.00 C ATOM 1399 CD LYS A 88 4.179 -10.162 10.814 1.00 0.00 C ATOM 1400 CE LYS A 88 3.144 -10.301 11.934 1.00 0.00 C ATOM 1401 NZ LYS A 88 1.830 -9.986 11.298 1.00 0.00 N ATOM 0 H LYS A 88 6.306 -6.267 9.932 1.00 0.00 H new ATOM 0 HA LYS A 88 6.957 -8.318 11.934 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.895 -8.081 9.076 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.311 -9.662 9.707 1.00 0.00 H new ATOM 0 HG2 LYS A 88 4.783 -8.304 11.746 1.00 0.00 H new ATOM 0 HG3 LYS A 88 3.928 -8.093 10.230 1.00 0.00 H new ATOM 0 HD2 LYS A 88 3.740 -10.457 9.861 1.00 0.00 H new ATOM 0 HD3 LYS A 88 5.020 -10.830 10.998 1.00 0.00 H new ATOM 0 HE2 LYS A 88 3.148 -11.308 12.350 1.00 0.00 H new ATOM 0 HE3 LYS A 88 3.358 -9.616 12.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 1.074 -10.062 12.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 1.852 -9.019 10.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 1.648 -10.658 10.526 1.00 0.00 H new ATOM 1415 N GLY A 89 8.842 -8.147 9.233 1.00 0.00 N ATOM 1416 CA GLY A 89 10.186 -8.537 8.726 1.00 0.00 C ATOM 1417 C GLY A 89 10.052 -9.160 7.332 1.00 0.00 C ATOM 1418 O GLY A 89 10.544 -10.243 7.079 1.00 0.00 O ATOM 0 H GLY A 89 8.264 -7.637 8.566 1.00 0.00 H new ATOM 0 HA2 GLY A 89 10.837 -7.664 8.683 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.651 -9.248 9.409 1.00 0.00 H new ATOM 1422 N LEU A 90 9.394 -8.481 6.425 1.00 0.00 N ATOM 1423 CA LEU A 90 9.227 -9.029 5.044 1.00 0.00 C ATOM 1424 C LEU A 90 9.788 -8.045 4.011 1.00 0.00 C ATOM 1425 O LEU A 90 10.562 -8.417 3.150 1.00 0.00 O ATOM 1426 CB LEU A 90 7.715 -9.203 4.856 1.00 0.00 C ATOM 1427 CG LEU A 90 7.294 -10.623 5.257 1.00 0.00 C ATOM 1428 CD1 LEU A 90 5.812 -10.824 4.935 1.00 0.00 C ATOM 1429 CD2 LEU A 90 8.122 -11.653 4.481 1.00 0.00 C ATOM 0 H LEU A 90 8.965 -7.569 6.582 1.00 0.00 H new ATOM 0 HA LEU A 90 9.761 -9.970 4.910 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.179 -8.472 5.461 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.446 -9.015 3.817 1.00 0.00 H new ATOM 0 HG LEU A 90 7.462 -10.756 6.326 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.511 -11.832 5.219 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.217 -10.098 5.490 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.650 -10.685 3.866 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.817 -12.658 4.771 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.959 -11.519 3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.179 -11.515 4.707 1.00 0.00 H new ATOM 1441 N ILE A 91 9.405 -6.793 4.095 1.00 0.00 N ATOM 1442 CA ILE A 91 9.919 -5.787 3.123 1.00 0.00 C ATOM 1443 C ILE A 91 11.103 -5.035 3.741 1.00 0.00 C ATOM 1444 O ILE A 91 10.931 -4.144 4.551 1.00 0.00 O ATOM 1445 CB ILE A 91 8.744 -4.835 2.856 1.00 0.00 C ATOM 1446 CG1 ILE A 91 7.611 -5.600 2.161 1.00 0.00 C ATOM 1447 CG2 ILE A 91 9.206 -3.688 1.949 1.00 0.00 C ATOM 1448 CD1 ILE A 91 6.342 -4.743 2.154 1.00 0.00 C ATOM 0 H ILE A 91 8.759 -6.428 4.795 1.00 0.00 H new ATOM 0 HA ILE A 91 10.273 -6.244 2.199 1.00 0.00 H new ATOM 0 HB ILE A 91 8.387 -4.431 3.804 1.00 0.00 H new ATOM 0 HG12 ILE A 91 7.900 -5.849 1.140 1.00 0.00 H new ATOM 0 HG13 ILE A 91 7.424 -6.541 2.678 1.00 0.00 H new ATOM 0 HG21 ILE A 91 8.370 -3.014 1.761 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.012 -3.140 2.437 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.565 -4.094 1.003 1.00 0.00 H new ATOM 0 HD11 ILE A 91 5.538 -5.288 1.660 1.00 0.00 H new ATOM 0 HD12 ILE A 91 6.050 -4.517 3.180 1.00 0.00 H new ATOM 0 HD13 ILE A 91 6.534 -3.814 1.618 1.00 0.00 H new ATOM 1460 N SER A 92 12.303 -5.391 3.362 1.00 0.00 N ATOM 1461 CA SER A 92 13.505 -4.699 3.919 1.00 0.00 C ATOM 1462 C SER A 92 13.698 -3.347 3.226 1.00 0.00 C ATOM 1463 O SER A 92 13.007 -3.021 2.278 1.00 0.00 O ATOM 1464 CB SER A 92 14.685 -5.624 3.618 1.00 0.00 C ATOM 1465 OG SER A 92 14.627 -6.753 4.477 1.00 0.00 O ATOM 0 H SER A 92 12.503 -6.132 2.690 1.00 0.00 H new ATOM 0 HA SER A 92 13.407 -4.506 4.987 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.655 -5.943 2.576 1.00 0.00 H new ATOM 0 HB3 SER A 92 15.625 -5.091 3.761 1.00 0.00 H new ATOM 0 HG SER A 92 15.381 -7.349 4.285 1.00 0.00 H new ATOM 1471 N GLN A 93 14.638 -2.564 3.691 1.00 0.00 N ATOM 1472 CA GLN A 93 14.885 -1.233 3.061 1.00 0.00 C ATOM 1473 C GLN A 93 15.527 -1.419 1.682 1.00 0.00 C ATOM 1474 O GLN A 93 15.043 -0.905 0.690 1.00 0.00 O ATOM 1475 CB GLN A 93 15.840 -0.503 4.013 1.00 0.00 C ATOM 1476 CG GLN A 93 15.108 -0.159 5.315 1.00 0.00 C ATOM 1477 CD GLN A 93 15.607 -1.067 6.444 1.00 0.00 C ATOM 1478 OE1 GLN A 93 16.654 -0.829 7.012 1.00 0.00 O ATOM 1479 NE2 GLN A 93 14.898 -2.107 6.796 1.00 0.00 N ATOM 0 H GLN A 93 15.245 -2.789 4.479 1.00 0.00 H new ATOM 0 HA GLN A 93 13.964 -0.669 2.911 1.00 0.00 H new ATOM 0 HB2 GLN A 93 16.706 -1.130 4.226 1.00 0.00 H new ATOM 0 HB3 GLN A 93 16.213 0.407 3.543 1.00 0.00 H new ATOM 0 HG2 GLN A 93 15.278 0.886 5.574 1.00 0.00 H new ATOM 0 HG3 GLN A 93 14.033 -0.284 5.183 1.00 0.00 H new ATOM 0 HE21 GLN A 93 14.018 -2.309 6.321 1.00 0.00 H new ATOM 0 HE22 GLN A 93 15.224 -2.716 7.546 1.00 0.00 H new ATOM 1488 N GLN A 94 16.609 -2.159 1.612 1.00 0.00 N ATOM 1489 CA GLN A 94 17.282 -2.386 0.295 1.00 0.00 C ATOM 1490 C GLN A 94 16.369 -3.185 -0.647 1.00 0.00 C ATOM 1491 O GLN A 94 16.430 -3.029 -1.851 1.00 0.00 O ATOM 1492 CB GLN A 94 18.572 -3.159 0.616 1.00 0.00 C ATOM 1493 CG GLN A 94 18.249 -4.596 1.059 1.00 0.00 C ATOM 1494 CD GLN A 94 18.485 -5.570 -0.104 1.00 0.00 C ATOM 1495 OE1 GLN A 94 18.645 -5.162 -1.237 1.00 0.00 O ATOM 1496 NE2 GLN A 94 18.513 -6.854 0.130 1.00 0.00 N ATOM 0 H GLN A 94 17.054 -2.614 2.409 1.00 0.00 H new ATOM 0 HA GLN A 94 17.503 -1.449 -0.217 1.00 0.00 H new ATOM 0 HB2 GLN A 94 19.217 -3.180 -0.262 1.00 0.00 H new ATOM 0 HB3 GLN A 94 19.123 -2.645 1.404 1.00 0.00 H new ATOM 0 HG2 GLN A 94 18.874 -4.873 1.908 1.00 0.00 H new ATOM 0 HG3 GLN A 94 17.213 -4.658 1.392 1.00 0.00 H new ATOM 0 HE21 GLN A 94 18.379 -7.202 1.079 1.00 0.00 H new ATOM 0 HE22 GLN A 94 18.669 -7.509 -0.636 1.00 0.00 H new ATOM 1505 N GLU A 95 15.515 -4.027 -0.111 1.00 0.00 N ATOM 1506 CA GLU A 95 14.595 -4.818 -0.982 1.00 0.00 C ATOM 1507 C GLU A 95 13.579 -3.887 -1.643 1.00 0.00 C ATOM 1508 O GLU A 95 13.311 -3.990 -2.825 1.00 0.00 O ATOM 1509 CB GLU A 95 13.894 -5.810 -0.051 1.00 0.00 C ATOM 1510 CG GLU A 95 14.344 -7.232 -0.391 1.00 0.00 C ATOM 1511 CD GLU A 95 13.507 -7.773 -1.555 1.00 0.00 C ATOM 1512 OE1 GLU A 95 13.581 -7.204 -2.634 1.00 0.00 O ATOM 1513 OE2 GLU A 95 12.805 -8.748 -1.347 1.00 0.00 O ATOM 0 H GLU A 95 15.418 -4.198 0.890 1.00 0.00 H new ATOM 0 HA GLU A 95 15.128 -5.334 -1.780 1.00 0.00 H new ATOM 0 HB2 GLU A 95 14.131 -5.580 0.988 1.00 0.00 H new ATOM 0 HB3 GLU A 95 12.813 -5.724 -0.158 1.00 0.00 H new ATOM 0 HG2 GLU A 95 15.401 -7.236 -0.658 1.00 0.00 H new ATOM 0 HG3 GLU A 95 14.233 -7.877 0.480 1.00 0.00 H new ATOM 1520 N ALA A 96 13.031 -2.962 -0.892 1.00 0.00 N ATOM 1521 CA ALA A 96 12.051 -2.002 -1.482 1.00 0.00 C ATOM 1522 C ALA A 96 12.741 -1.193 -2.585 1.00 0.00 C ATOM 1523 O ALA A 96 12.180 -0.953 -3.635 1.00 0.00 O ATOM 1524 CB ALA A 96 11.629 -1.094 -0.324 1.00 0.00 C ATOM 0 H ALA A 96 13.221 -2.832 0.102 1.00 0.00 H new ATOM 0 HA ALA A 96 11.190 -2.498 -1.929 1.00 0.00 H new ATOM 0 HB1 ALA A 96 10.907 -0.360 -0.682 1.00 0.00 H new ATOM 0 HB2 ALA A 96 11.175 -1.696 0.463 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.504 -0.579 0.072 1.00 0.00 H new ATOM 1530 N ASN A 97 13.970 -0.794 -2.354 1.00 0.00 N ATOM 1531 CA ASN A 97 14.725 -0.021 -3.386 1.00 0.00 C ATOM 1532 C ASN A 97 14.908 -0.878 -4.645 1.00 0.00 C ATOM 1533 O ASN A 97 14.806 -0.388 -5.753 1.00 0.00 O ATOM 1534 CB ASN A 97 16.080 0.295 -2.744 1.00 0.00 C ATOM 1535 CG ASN A 97 16.014 1.659 -2.057 1.00 0.00 C ATOM 1536 OD1 ASN A 97 15.769 1.742 -0.870 1.00 0.00 O ATOM 1537 ND2 ASN A 97 16.222 2.739 -2.757 1.00 0.00 N ATOM 0 H ASN A 97 14.483 -0.973 -1.490 1.00 0.00 H new ATOM 0 HA ASN A 97 14.204 0.888 -3.688 1.00 0.00 H new ATOM 0 HB2 ASN A 97 16.340 -0.477 -2.019 1.00 0.00 H new ATOM 0 HB3 ASN A 97 16.862 0.296 -3.503 1.00 0.00 H new ATOM 0 HD21 ASN A 97 16.179 3.654 -2.308 1.00 0.00 H new ATOM 0 HD22 ASN A 97 16.428 2.669 -3.754 1.00 0.00 H new ATOM 1544 N GLN A 98 15.164 -2.155 -4.479 1.00 0.00 N ATOM 1545 CA GLN A 98 15.336 -3.049 -5.667 1.00 0.00 C ATOM 1546 C GLN A 98 14.015 -3.139 -6.442 1.00 0.00 C ATOM 1547 O GLN A 98 13.997 -3.121 -7.658 1.00 0.00 O ATOM 1548 CB GLN A 98 15.724 -4.420 -5.096 1.00 0.00 C ATOM 1549 CG GLN A 98 16.877 -5.015 -5.912 1.00 0.00 C ATOM 1550 CD GLN A 98 18.198 -4.809 -5.165 1.00 0.00 C ATOM 1551 OE1 GLN A 98 18.471 -5.485 -4.192 1.00 0.00 O ATOM 1552 NE2 GLN A 98 19.038 -3.902 -5.582 1.00 0.00 N ATOM 0 H GLN A 98 15.261 -2.615 -3.574 1.00 0.00 H new ATOM 0 HA GLN A 98 16.093 -2.678 -6.358 1.00 0.00 H new ATOM 0 HB2 GLN A 98 16.020 -4.319 -4.052 1.00 0.00 H new ATOM 0 HB3 GLN A 98 14.865 -5.091 -5.120 1.00 0.00 H new ATOM 0 HG2 GLN A 98 16.705 -6.078 -6.081 1.00 0.00 H new ATOM 0 HG3 GLN A 98 16.924 -4.540 -6.892 1.00 0.00 H new ATOM 0 HE21 GLN A 98 18.811 -3.334 -6.398 1.00 0.00 H new ATOM 0 HE22 GLN A 98 19.921 -3.761 -5.092 1.00 0.00 H new ATOM 1561 N TRP A 99 12.907 -3.220 -5.745 1.00 0.00 N ATOM 1562 CA TRP A 99 11.586 -3.292 -6.441 1.00 0.00 C ATOM 1563 C TRP A 99 11.256 -1.935 -7.076 1.00 0.00 C ATOM 1564 O TRP A 99 10.674 -1.862 -8.142 1.00 0.00 O ATOM 1565 CB TRP A 99 10.571 -3.630 -5.347 1.00 0.00 C ATOM 1566 CG TRP A 99 9.258 -3.976 -5.977 1.00 0.00 C ATOM 1567 CD1 TRP A 99 9.051 -5.008 -6.827 1.00 0.00 C ATOM 1568 CD2 TRP A 99 7.975 -3.303 -5.827 1.00 0.00 C ATOM 1569 NE1 TRP A 99 7.721 -5.011 -7.209 1.00 0.00 N ATOM 1570 CE2 TRP A 99 7.017 -3.980 -6.618 1.00 0.00 C ATOM 1571 CE3 TRP A 99 7.553 -2.184 -5.089 1.00 0.00 C ATOM 1572 CZ2 TRP A 99 5.689 -3.560 -6.674 1.00 0.00 C ATOM 1573 CZ3 TRP A 99 6.217 -1.760 -5.142 1.00 0.00 C ATOM 1574 CH2 TRP A 99 5.287 -2.447 -5.933 1.00 0.00 C ATOM 0 H TRP A 99 12.861 -3.239 -4.726 1.00 0.00 H new ATOM 0 HA TRP A 99 11.581 -4.034 -7.240 1.00 0.00 H new ATOM 0 HB2 TRP A 99 10.931 -4.466 -4.747 1.00 0.00 H new ATOM 0 HB3 TRP A 99 10.451 -2.782 -4.672 1.00 0.00 H new ATOM 0 HD1 TRP A 99 9.801 -5.714 -7.154 1.00 0.00 H new ATOM 0 HE1 TRP A 99 7.311 -5.691 -7.849 1.00 0.00 H new ATOM 0 HE3 TRP A 99 8.262 -1.647 -4.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 4.976 -4.092 -7.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 5.904 -0.899 -4.570 1.00 0.00 H new ATOM 0 HH2 TRP A 99 4.260 -2.116 -5.970 1.00 0.00 H new ATOM 1585 N LEU A 100 11.626 -0.863 -6.418 1.00 0.00 N ATOM 1586 CA LEU A 100 11.340 0.501 -6.969 1.00 0.00 C ATOM 1587 C LEU A 100 12.226 0.790 -8.190 1.00 0.00 C ATOM 1588 O LEU A 100 11.808 1.463 -9.112 1.00 0.00 O ATOM 1589 CB LEU A 100 11.651 1.495 -5.835 1.00 0.00 C ATOM 1590 CG LEU A 100 10.366 1.853 -5.067 1.00 0.00 C ATOM 1591 CD1 LEU A 100 9.454 2.711 -5.950 1.00 0.00 C ATOM 1592 CD2 LEU A 100 9.621 0.576 -4.658 1.00 0.00 C ATOM 0 H LEU A 100 12.114 -0.873 -5.522 1.00 0.00 H new ATOM 0 HA LEU A 100 10.304 0.583 -7.299 1.00 0.00 H new ATOM 0 HB2 LEU A 100 12.381 1.060 -5.152 1.00 0.00 H new ATOM 0 HB3 LEU A 100 12.099 2.399 -6.248 1.00 0.00 H new ATOM 0 HG LEU A 100 10.638 2.412 -4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 100 8.546 2.961 -5.401 1.00 0.00 H new ATOM 0 HD12 LEU A 100 9.974 3.628 -6.228 1.00 0.00 H new ATOM 0 HD13 LEU A 100 9.192 2.155 -6.850 1.00 0.00 H new ATOM 0 HD21 LEU A 100 8.714 0.842 -4.115 1.00 0.00 H new ATOM 0 HD22 LEU A 100 9.357 0.007 -5.550 1.00 0.00 H new ATOM 0 HD23 LEU A 100 10.262 -0.030 -4.018 1.00 0.00 H new ATOM 1604 N SER A 101 13.443 0.292 -8.207 1.00 0.00 N ATOM 1605 CA SER A 101 14.341 0.549 -9.378 1.00 0.00 C ATOM 1606 C SER A 101 13.832 -0.198 -10.619 1.00 0.00 C ATOM 1607 O SER A 101 13.811 0.338 -11.710 1.00 0.00 O ATOM 1608 CB SER A 101 15.723 0.032 -8.960 1.00 0.00 C ATOM 1609 OG SER A 101 15.715 -1.389 -8.900 1.00 0.00 O ATOM 0 H SER A 101 13.849 -0.277 -7.465 1.00 0.00 H new ATOM 0 HA SER A 101 14.373 1.607 -9.639 1.00 0.00 H new ATOM 0 HB2 SER A 101 16.477 0.370 -9.671 1.00 0.00 H new ATOM 0 HB3 SER A 101 15.995 0.443 -7.988 1.00 0.00 H new ATOM 0 HG SER A 101 14.970 -1.688 -8.338 1.00 0.00 H new ATOM 1615 N SER A 102 13.421 -1.430 -10.452 1.00 0.00 N ATOM 1616 CA SER A 102 12.907 -2.223 -11.615 1.00 0.00 C ATOM 1617 C SER A 102 11.481 -1.780 -11.991 1.00 0.00 C ATOM 1618 O SER A 102 11.035 -2.140 -13.070 1.00 0.00 O ATOM 1619 CB SER A 102 12.907 -3.680 -11.140 1.00 0.00 C ATOM 1620 OG SER A 102 12.916 -4.546 -12.269 1.00 0.00 O ATOM 1621 OXT SER A 102 10.860 -1.088 -11.199 1.00 0.00 O ATOM 0 H SER A 102 13.419 -1.923 -9.559 1.00 0.00 H new ATOM 0 HA SER A 102 13.522 -2.082 -12.504 1.00 0.00 H new ATOM 0 HB2 SER A 102 13.780 -3.870 -10.515 1.00 0.00 H new ATOM 0 HB3 SER A 102 12.027 -3.874 -10.526 1.00 0.00 H new ATOM 0 HG SER A 102 12.918 -5.478 -11.966 1.00 0.00 H new TER 1627 SER A 102