USER MOD reduce.3.24.130724 H: found=0, std=0, add=1052, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1053 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 115 GLN : amide:sc= 0.712 X(o=0.57,f=0.34) USER MOD Set 1.2: A 117 TYR OH : rot 150:sc= -0.141 USER MOD Set 2.1: A 5 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 39 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 14 TYR OH : rot 180:sc= 0.0257 USER MOD Set 3.2: A 18 MET CE :methyl 168:sc= -1.26 (180deg=-1.58) USER MOD Set 4.1: A 1 ALA N :NH3+ -160:sc= 0.778 (180deg=0) USER MOD Set 4.2: A 42 GLN : amide:sc= 0.66 K(o=1.4,f=-6.9!) USER MOD Single : A 4 SER OG : rot -91:sc= -0.714! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 4:sc= -0.425 USER MOD Single : A 13 ASN : amide:sc= 0.112 K(o=0.11,f=-1.4) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl 153:sc= -0.292 (180deg=-1.63!) USER MOD Single : A 24 ASN : amide:sc= -0.544 K(o=-0.54,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.44 X(o=-0.44,f=-0.079) USER MOD Single : A 35 ASN : amide:sc= -0.0826 X(o=-0.083,f=-0.083) USER MOD Single : A 37 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0396) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.39 USER MOD Single : A 50 LYS NZ :NH3+ -161:sc=-0.00686 (180deg=-0.21) USER MOD Single : A 52 SER OG : rot -35:sc= 0.198! USER MOD Single : A 53 SER OG : rot 100:sc= 2.25 USER MOD Single : A 57 ASN : amide:sc= -5.47! K(o=-5.5!,f=-0.38) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.102 USER MOD Single : A 69 ASN : amide:sc= -4.22! C(o=-4.2!,f=-2.1!) USER MOD Single : A 71 ASN : amide:sc= -2.64 X(o=-2.6,f=-3!) USER MOD Single : A 76 THR OG1 : rot 173:sc= -0.456 USER MOD Single : A 81 THR OG1 : rot -87:sc= -1.16! USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.214 K(o=-0.21,f=-2.4!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot -66:sc= -1.74! USER MOD Single : A 98 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.48) USER MOD Single : A 100 ASN : amide:sc= -1.1 K(o=-1.1,f=-0.44) USER MOD Single : A 103 ASN : amide:sc= -0.0244 X(o=-0.024,f=0) USER MOD Single : A 104 THR OG1 : rot 60:sc= -0.2! USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 150:sc= -2.31 USER MOD Single : A 125 LYS NZ :NH3+ -100:sc= 0.474 (180deg=-1.94!) USER MOD Single : A 129 LYS NZ :NH3+ 179:sc=0.000317 (180deg=0.000263) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 118.109 8.060 -7.816 1.00 0.00 N ATOM 2 CA ALA A 1 117.642 6.868 -7.055 1.00 0.00 C ATOM 3 C ALA A 1 116.245 6.469 -7.537 1.00 0.00 C ATOM 4 O ALA A 1 115.260 7.099 -7.203 1.00 0.00 O ATOM 5 CB ALA A 1 117.590 7.202 -5.563 1.00 0.00 C ATOM 0 H1 ALA A 1 119.144 8.130 -7.750 1.00 0.00 H new ATOM 0 H2 ALA A 1 117.832 7.965 -8.814 1.00 0.00 H new ATOM 0 H3 ALA A 1 117.677 8.918 -7.417 1.00 0.00 H new ATOM 0 HA ALA A 1 118.333 6.041 -7.218 1.00 0.00 H new ATOM 0 HB1 ALA A 1 117.248 6.329 -5.006 1.00 0.00 H new ATOM 0 HB2 ALA A 1 118.585 7.485 -5.219 1.00 0.00 H new ATOM 0 HB3 ALA A 1 116.900 8.030 -5.399 1.00 0.00 H new ATOM 13 N PHE A 2 116.151 5.429 -8.318 1.00 0.00 N ATOM 14 CA PHE A 2 114.818 4.991 -8.821 1.00 0.00 C ATOM 15 C PHE A 2 114.006 6.219 -9.239 1.00 0.00 C ATOM 16 O PHE A 2 112.798 6.251 -9.112 1.00 0.00 O ATOM 17 CB PHE A 2 114.076 4.238 -7.710 1.00 0.00 C ATOM 18 CG PHE A 2 113.462 2.975 -8.266 1.00 0.00 C ATOM 19 CD1 PHE A 2 114.265 2.020 -8.905 1.00 0.00 C ATOM 20 CD2 PHE A 2 112.087 2.759 -8.141 1.00 0.00 C ATOM 21 CE1 PHE A 2 113.688 0.850 -9.417 1.00 0.00 C ATOM 22 CE2 PHE A 2 111.511 1.591 -8.653 1.00 0.00 C ATOM 23 CZ PHE A 2 112.312 0.636 -9.290 1.00 0.00 C ATOM 0 H PHE A 2 116.940 4.863 -8.630 1.00 0.00 H new ATOM 0 HA PHE A 2 114.949 4.332 -9.680 1.00 0.00 H new ATOM 0 HB2 PHE A 2 114.765 3.992 -6.902 1.00 0.00 H new ATOM 0 HB3 PHE A 2 113.299 4.873 -7.284 1.00 0.00 H new ATOM 0 HD1 PHE A 2 115.328 2.186 -9.003 1.00 0.00 H new ATOM 0 HD2 PHE A 2 111.468 3.494 -7.649 1.00 0.00 H new ATOM 0 HE1 PHE A 2 114.306 0.114 -9.910 1.00 0.00 H new ATOM 0 HE2 PHE A 2 110.448 1.426 -8.557 1.00 0.00 H new ATOM 0 HZ PHE A 2 111.867 -0.266 -9.683 1.00 0.00 H new ATOM 33 N ASP A 3 114.663 7.230 -9.736 1.00 0.00 N ATOM 34 CA ASP A 3 113.932 8.457 -10.161 1.00 0.00 C ATOM 35 C ASP A 3 113.246 8.206 -11.505 1.00 0.00 C ATOM 36 O ASP A 3 113.835 8.379 -12.553 1.00 0.00 O ATOM 37 CB ASP A 3 114.922 9.616 -10.302 1.00 0.00 C ATOM 38 CG ASP A 3 116.220 9.107 -10.930 1.00 0.00 C ATOM 39 OD1 ASP A 3 117.230 9.774 -10.778 1.00 0.00 O ATOM 40 OD2 ASP A 3 116.182 8.058 -11.552 1.00 0.00 O ATOM 0 H ASP A 3 115.674 7.260 -9.866 1.00 0.00 H new ATOM 0 HA ASP A 3 113.180 8.708 -9.413 1.00 0.00 H new ATOM 0 HB2 ASP A 3 114.491 10.403 -10.921 1.00 0.00 H new ATOM 0 HB3 ASP A 3 115.126 10.054 -9.325 1.00 0.00 H new ATOM 45 N SER A 4 112.004 7.802 -11.484 1.00 0.00 N ATOM 46 CA SER A 4 111.282 7.542 -12.762 1.00 0.00 C ATOM 47 C SER A 4 110.042 6.686 -12.483 1.00 0.00 C ATOM 48 O SER A 4 109.618 6.539 -11.351 1.00 0.00 O ATOM 49 CB SER A 4 112.212 6.805 -13.729 1.00 0.00 C ATOM 50 OG SER A 4 111.449 5.935 -14.554 1.00 0.00 O ATOM 0 H SER A 4 111.459 7.641 -10.637 1.00 0.00 H new ATOM 0 HA SER A 4 110.973 8.488 -13.207 1.00 0.00 H new ATOM 0 HB2 SER A 4 112.756 7.522 -14.344 1.00 0.00 H new ATOM 0 HB3 SER A 4 112.955 6.235 -13.171 1.00 0.00 H new ATOM 0 HG SER A 4 111.393 5.051 -14.134 1.00 0.00 H new ATOM 56 N THR A 5 109.458 6.121 -13.506 1.00 0.00 N ATOM 57 CA THR A 5 108.249 5.277 -13.304 1.00 0.00 C ATOM 58 C THR A 5 108.679 3.827 -13.071 1.00 0.00 C ATOM 59 O THR A 5 109.653 3.361 -13.627 1.00 0.00 O ATOM 60 CB THR A 5 107.358 5.353 -14.547 1.00 0.00 C ATOM 61 OG1 THR A 5 107.009 6.708 -14.793 1.00 0.00 O ATOM 62 CG2 THR A 5 106.089 4.531 -14.319 1.00 0.00 C ATOM 0 H THR A 5 109.768 6.209 -14.474 1.00 0.00 H new ATOM 0 HA THR A 5 107.692 5.637 -12.439 1.00 0.00 H new ATOM 0 HB THR A 5 107.897 4.953 -15.406 1.00 0.00 H new ATOM 0 HG1 THR A 5 106.440 6.760 -15.589 1.00 0.00 H new ATOM 0 HG21 THR A 5 105.456 4.586 -15.205 1.00 0.00 H new ATOM 0 HG22 THR A 5 106.358 3.492 -14.129 1.00 0.00 H new ATOM 0 HG23 THR A 5 105.547 4.928 -13.461 1.00 0.00 H new ATOM 70 N TRP A 6 107.963 3.112 -12.248 1.00 0.00 N ATOM 71 CA TRP A 6 108.335 1.697 -11.973 1.00 0.00 C ATOM 72 C TRP A 6 107.080 0.898 -11.616 1.00 0.00 C ATOM 73 O TRP A 6 106.027 1.456 -11.383 1.00 0.00 O ATOM 74 CB TRP A 6 109.314 1.649 -10.804 1.00 0.00 C ATOM 75 CG TRP A 6 110.369 2.692 -10.983 1.00 0.00 C ATOM 76 CD1 TRP A 6 110.206 4.014 -10.752 1.00 0.00 C ATOM 77 CD2 TRP A 6 111.747 2.521 -11.423 1.00 0.00 C ATOM 78 NE1 TRP A 6 111.400 4.664 -11.014 1.00 0.00 N ATOM 79 CE2 TRP A 6 112.379 3.785 -11.433 1.00 0.00 C ATOM 80 CE3 TRP A 6 112.501 1.401 -11.808 1.00 0.00 C ATOM 81 CZ2 TRP A 6 113.715 3.932 -11.812 1.00 0.00 C ATOM 82 CZ3 TRP A 6 113.843 1.540 -12.187 1.00 0.00 C ATOM 83 CH2 TRP A 6 114.451 2.804 -12.189 1.00 0.00 C ATOM 0 H TRP A 6 107.136 3.447 -11.754 1.00 0.00 H new ATOM 0 HA TRP A 6 108.801 1.266 -12.859 1.00 0.00 H new ATOM 0 HB2 TRP A 6 108.783 1.813 -9.866 1.00 0.00 H new ATOM 0 HB3 TRP A 6 109.772 0.662 -10.742 1.00 0.00 H new ATOM 0 HD1 TRP A 6 109.294 4.486 -10.418 1.00 0.00 H new ATOM 0 HE1 TRP A 6 111.539 5.669 -10.910 1.00 0.00 H new ATOM 0 HE3 TRP A 6 112.042 0.423 -11.812 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 114.176 4.909 -11.814 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 114.412 0.670 -12.479 1.00 0.00 H new ATOM 0 HH2 TRP A 6 115.486 2.906 -12.481 1.00 0.00 H new ATOM 94 N LYS A 7 107.179 -0.404 -11.573 1.00 0.00 N ATOM 95 CA LYS A 7 105.986 -1.226 -11.233 1.00 0.00 C ATOM 96 C LYS A 7 106.438 -2.543 -10.606 1.00 0.00 C ATOM 97 O LYS A 7 107.332 -3.199 -11.102 1.00 0.00 O ATOM 98 CB LYS A 7 105.183 -1.509 -12.503 1.00 0.00 C ATOM 99 CG LYS A 7 105.861 -2.625 -13.303 1.00 0.00 C ATOM 100 CD LYS A 7 105.333 -2.619 -14.739 1.00 0.00 C ATOM 101 CE LYS A 7 106.144 -3.602 -15.585 1.00 0.00 C ATOM 102 NZ LYS A 7 105.703 -4.994 -15.289 1.00 0.00 N ATOM 0 H LYS A 7 108.033 -0.931 -11.758 1.00 0.00 H new ATOM 0 HA LYS A 7 105.360 -0.685 -10.524 1.00 0.00 H new ATOM 0 HB2 LYS A 7 104.165 -1.801 -12.244 1.00 0.00 H new ATOM 0 HB3 LYS A 7 105.112 -0.606 -13.109 1.00 0.00 H new ATOM 0 HG2 LYS A 7 106.942 -2.483 -13.301 1.00 0.00 H new ATOM 0 HG3 LYS A 7 105.666 -3.591 -12.837 1.00 0.00 H new ATOM 0 HD2 LYS A 7 104.279 -2.896 -14.751 1.00 0.00 H new ATOM 0 HD3 LYS A 7 105.404 -1.616 -15.160 1.00 0.00 H new ATOM 0 HE2 LYS A 7 106.009 -3.384 -16.644 1.00 0.00 H new ATOM 0 HE3 LYS A 7 107.207 -3.492 -15.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 106.254 -5.663 -15.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 105.854 -5.199 -14.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 104.693 -5.094 -15.515 1.00 0.00 H new ATOM 116 N VAL A 8 105.831 -2.937 -9.520 1.00 0.00 N ATOM 117 CA VAL A 8 106.234 -4.212 -8.870 1.00 0.00 C ATOM 118 C VAL A 8 106.559 -5.252 -9.939 1.00 0.00 C ATOM 119 O VAL A 8 105.687 -5.798 -10.584 1.00 0.00 O ATOM 120 CB VAL A 8 105.101 -4.712 -7.968 1.00 0.00 C ATOM 121 CG1 VAL A 8 103.756 -4.270 -8.542 1.00 0.00 C ATOM 122 CG2 VAL A 8 105.142 -6.240 -7.880 1.00 0.00 C ATOM 0 H VAL A 8 105.076 -2.431 -9.057 1.00 0.00 H new ATOM 0 HA VAL A 8 107.121 -4.045 -8.259 1.00 0.00 H new ATOM 0 HB VAL A 8 105.227 -4.291 -6.970 1.00 0.00 H new ATOM 0 HG11 VAL A 8 102.951 -4.627 -7.899 1.00 0.00 H new ATOM 0 HG12 VAL A 8 103.723 -3.182 -8.595 1.00 0.00 H new ATOM 0 HG13 VAL A 8 103.633 -4.686 -9.542 1.00 0.00 H new ATOM 0 HG21 VAL A 8 104.334 -6.589 -7.237 1.00 0.00 H new ATOM 0 HG22 VAL A 8 105.023 -6.665 -8.877 1.00 0.00 H new ATOM 0 HG23 VAL A 8 106.099 -6.555 -7.463 1.00 0.00 H new ATOM 132 N ASP A 9 107.818 -5.539 -10.114 1.00 0.00 N ATOM 133 CA ASP A 9 108.220 -6.554 -11.118 1.00 0.00 C ATOM 134 C ASP A 9 108.338 -7.896 -10.404 1.00 0.00 C ATOM 135 O ASP A 9 108.140 -8.944 -10.985 1.00 0.00 O ATOM 136 CB ASP A 9 109.570 -6.172 -11.728 1.00 0.00 C ATOM 137 CG ASP A 9 109.728 -6.856 -13.087 1.00 0.00 C ATOM 138 OD1 ASP A 9 110.225 -7.970 -13.113 1.00 0.00 O ATOM 139 OD2 ASP A 9 109.350 -6.254 -14.079 1.00 0.00 O ATOM 0 H ASP A 9 108.588 -5.110 -9.600 1.00 0.00 H new ATOM 0 HA ASP A 9 107.482 -6.612 -11.918 1.00 0.00 H new ATOM 0 HB2 ASP A 9 109.636 -5.090 -11.844 1.00 0.00 H new ATOM 0 HB3 ASP A 9 110.380 -6.471 -11.062 1.00 0.00 H new ATOM 144 N ARG A 10 108.648 -7.863 -9.135 1.00 0.00 N ATOM 145 CA ARG A 10 108.765 -9.138 -8.369 1.00 0.00 C ATOM 146 C ARG A 10 108.458 -8.887 -6.890 1.00 0.00 C ATOM 147 O ARG A 10 108.284 -7.763 -6.463 1.00 0.00 O ATOM 148 CB ARG A 10 110.181 -9.705 -8.511 1.00 0.00 C ATOM 149 CG ARG A 10 110.411 -10.143 -9.956 1.00 0.00 C ATOM 150 CD ARG A 10 111.593 -11.112 -10.015 1.00 0.00 C ATOM 151 NE ARG A 10 112.655 -10.659 -9.073 1.00 0.00 N ATOM 152 CZ ARG A 10 113.804 -11.278 -9.037 1.00 0.00 C ATOM 153 NH1 ARG A 10 114.733 -10.882 -8.212 1.00 0.00 N ATOM 154 NH2 ARG A 10 114.022 -12.293 -9.828 1.00 0.00 N ATOM 0 H ARG A 10 108.824 -7.014 -8.598 1.00 0.00 H new ATOM 0 HA ARG A 10 108.049 -9.857 -8.768 1.00 0.00 H new ATOM 0 HB2 ARG A 10 110.916 -8.952 -8.227 1.00 0.00 H new ATOM 0 HB3 ARG A 10 110.315 -10.551 -7.837 1.00 0.00 H new ATOM 0 HG2 ARG A 10 109.514 -10.623 -10.349 1.00 0.00 H new ATOM 0 HG3 ARG A 10 110.608 -9.274 -10.583 1.00 0.00 H new ATOM 0 HD2 ARG A 10 111.265 -12.118 -9.754 1.00 0.00 H new ATOM 0 HD3 ARG A 10 111.988 -11.159 -11.030 1.00 0.00 H new ATOM 0 HE ARG A 10 112.484 -9.865 -8.456 1.00 0.00 H new ATOM 0 HH11 ARG A 10 114.562 -10.088 -7.594 1.00 0.00 H new ATOM 0 HH12 ARG A 10 115.630 -11.366 -8.184 1.00 0.00 H new ATOM 0 HH21 ARG A 10 113.295 -12.602 -10.473 1.00 0.00 H new ATOM 0 HH22 ARG A 10 114.919 -12.777 -9.801 1.00 0.00 H new ATOM 168 N SER A 11 108.383 -9.930 -6.106 1.00 0.00 N ATOM 169 CA SER A 11 108.082 -9.763 -4.654 1.00 0.00 C ATOM 170 C SER A 11 108.228 -11.116 -3.952 1.00 0.00 C ATOM 171 O SER A 11 108.516 -12.118 -4.576 1.00 0.00 O ATOM 172 CB SER A 11 106.650 -9.255 -4.485 1.00 0.00 C ATOM 173 OG SER A 11 106.573 -7.908 -4.935 1.00 0.00 O ATOM 0 H SER A 11 108.518 -10.894 -6.410 1.00 0.00 H new ATOM 0 HA SER A 11 108.775 -9.044 -4.216 1.00 0.00 H new ATOM 0 HB2 SER A 11 105.961 -9.880 -5.053 1.00 0.00 H new ATOM 0 HB3 SER A 11 106.350 -9.319 -3.439 1.00 0.00 H new ATOM 0 HG SER A 11 107.439 -7.637 -5.306 1.00 0.00 H new ATOM 179 N GLU A 12 108.036 -11.158 -2.659 1.00 0.00 N ATOM 180 CA GLU A 12 108.168 -12.454 -1.936 1.00 0.00 C ATOM 181 C GLU A 12 107.378 -12.404 -0.624 1.00 0.00 C ATOM 182 O GLU A 12 107.154 -11.349 -0.061 1.00 0.00 O ATOM 183 CB GLU A 12 109.651 -12.728 -1.646 1.00 0.00 C ATOM 184 CG GLU A 12 109.990 -12.333 -0.204 1.00 0.00 C ATOM 185 CD GLU A 12 111.509 -12.299 -0.028 1.00 0.00 C ATOM 186 OE1 GLU A 12 112.198 -12.819 -0.891 1.00 0.00 O ATOM 187 OE2 GLU A 12 111.958 -11.755 0.968 1.00 0.00 O ATOM 0 H GLU A 12 107.795 -10.356 -2.077 1.00 0.00 H new ATOM 0 HA GLU A 12 107.768 -13.256 -2.556 1.00 0.00 H new ATOM 0 HB2 GLU A 12 109.871 -13.784 -1.803 1.00 0.00 H new ATOM 0 HB3 GLU A 12 110.275 -12.166 -2.341 1.00 0.00 H new ATOM 0 HG2 GLU A 12 109.565 -11.356 0.026 1.00 0.00 H new ATOM 0 HG3 GLU A 12 109.548 -13.045 0.493 1.00 0.00 H new ATOM 194 N ASN A 13 106.962 -13.542 -0.135 1.00 0.00 N ATOM 195 CA ASN A 13 106.192 -13.580 1.141 1.00 0.00 C ATOM 196 C ASN A 13 104.951 -12.692 1.025 1.00 0.00 C ATOM 197 O ASN A 13 104.014 -13.006 0.318 1.00 0.00 O ATOM 198 CB ASN A 13 107.074 -13.078 2.287 1.00 0.00 C ATOM 199 CG ASN A 13 107.963 -14.220 2.784 1.00 0.00 C ATOM 200 OD1 ASN A 13 108.206 -15.172 2.069 1.00 0.00 O ATOM 201 ND2 ASN A 13 108.461 -14.167 3.989 1.00 0.00 N ATOM 0 H ASN A 13 107.124 -14.451 -0.568 1.00 0.00 H new ATOM 0 HA ASN A 13 105.882 -14.606 1.342 1.00 0.00 H new ATOM 0 HB2 ASN A 13 107.690 -12.245 1.948 1.00 0.00 H new ATOM 0 HB3 ASN A 13 106.453 -12.705 3.102 1.00 0.00 H new ATOM 0 HD21 ASN A 13 109.054 -14.924 4.330 1.00 0.00 H new ATOM 0 HD22 ASN A 13 108.258 -13.368 4.590 1.00 0.00 H new ATOM 208 N TYR A 14 104.939 -11.586 1.716 1.00 0.00 N ATOM 209 CA TYR A 14 103.763 -10.677 1.651 1.00 0.00 C ATOM 210 C TYR A 14 102.615 -11.262 2.468 1.00 0.00 C ATOM 211 O TYR A 14 102.069 -10.612 3.337 1.00 0.00 O ATOM 212 CB TYR A 14 103.331 -10.501 0.190 1.00 0.00 C ATOM 213 CG TYR A 14 102.935 -9.063 -0.063 1.00 0.00 C ATOM 214 CD1 TYR A 14 103.726 -8.018 0.434 1.00 0.00 C ATOM 215 CD2 TYR A 14 101.779 -8.777 -0.799 1.00 0.00 C ATOM 216 CE1 TYR A 14 103.358 -6.689 0.195 1.00 0.00 C ATOM 217 CE2 TYR A 14 101.411 -7.447 -1.037 1.00 0.00 C ATOM 218 CZ TYR A 14 102.201 -6.403 -0.540 1.00 0.00 C ATOM 219 OH TYR A 14 101.838 -5.093 -0.776 1.00 0.00 O ATOM 0 H TYR A 14 105.696 -11.273 2.324 1.00 0.00 H new ATOM 0 HA TYR A 14 104.032 -9.705 2.064 1.00 0.00 H new ATOM 0 HB2 TYR A 14 104.146 -10.785 -0.476 1.00 0.00 H new ATOM 0 HB3 TYR A 14 102.493 -11.162 -0.032 1.00 0.00 H new ATOM 0 HD1 TYR A 14 104.619 -8.238 1.001 1.00 0.00 H new ATOM 0 HD2 TYR A 14 101.171 -9.582 -1.183 1.00 0.00 H new ATOM 0 HE1 TYR A 14 103.967 -5.883 0.578 1.00 0.00 H new ATOM 0 HE2 TYR A 14 100.518 -7.227 -1.604 1.00 0.00 H new ATOM 0 HH TYR A 14 101.011 -5.072 -1.302 1.00 0.00 H new ATOM 229 N ASP A 15 102.242 -12.481 2.209 1.00 0.00 N ATOM 230 CA ASP A 15 101.131 -13.081 2.992 1.00 0.00 C ATOM 231 C ASP A 15 101.516 -13.083 4.467 1.00 0.00 C ATOM 232 O ASP A 15 100.763 -12.654 5.317 1.00 0.00 O ATOM 233 CB ASP A 15 100.876 -14.515 2.518 1.00 0.00 C ATOM 234 CG ASP A 15 102.185 -15.129 2.019 1.00 0.00 C ATOM 235 OD1 ASP A 15 102.942 -15.613 2.844 1.00 0.00 O ATOM 236 OD2 ASP A 15 102.410 -15.102 0.820 1.00 0.00 O ATOM 0 H ASP A 15 102.654 -13.083 1.496 1.00 0.00 H new ATOM 0 HA ASP A 15 100.221 -12.498 2.849 1.00 0.00 H new ATOM 0 HB2 ASP A 15 100.470 -15.112 3.335 1.00 0.00 H new ATOM 0 HB3 ASP A 15 100.133 -14.519 1.720 1.00 0.00 H new ATOM 241 N LYS A 16 102.693 -13.544 4.775 1.00 0.00 N ATOM 242 CA LYS A 16 103.130 -13.550 6.195 1.00 0.00 C ATOM 243 C LYS A 16 103.131 -12.111 6.704 1.00 0.00 C ATOM 244 O LYS A 16 102.842 -11.847 7.855 1.00 0.00 O ATOM 245 CB LYS A 16 104.539 -14.139 6.302 1.00 0.00 C ATOM 246 CG LYS A 16 104.575 -15.506 5.617 1.00 0.00 C ATOM 247 CD LYS A 16 105.891 -16.213 5.950 1.00 0.00 C ATOM 248 CE LYS A 16 105.734 -17.008 7.248 1.00 0.00 C ATOM 249 NZ LYS A 16 107.079 -17.388 7.764 1.00 0.00 N ATOM 0 H LYS A 16 103.369 -13.916 4.108 1.00 0.00 H new ATOM 0 HA LYS A 16 102.451 -14.158 6.793 1.00 0.00 H new ATOM 0 HB2 LYS A 16 105.261 -13.468 5.837 1.00 0.00 H new ATOM 0 HB3 LYS A 16 104.825 -14.238 7.349 1.00 0.00 H new ATOM 0 HG2 LYS A 16 103.731 -16.112 5.947 1.00 0.00 H new ATOM 0 HG3 LYS A 16 104.478 -15.386 4.538 1.00 0.00 H new ATOM 0 HD2 LYS A 16 106.173 -16.880 5.135 1.00 0.00 H new ATOM 0 HD3 LYS A 16 106.692 -15.481 6.055 1.00 0.00 H new ATOM 0 HE2 LYS A 16 105.203 -16.412 7.990 1.00 0.00 H new ATOM 0 HE3 LYS A 16 105.136 -17.901 7.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 106.972 -17.928 8.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 107.570 -17.972 7.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 107.635 -16.529 7.949 1.00 0.00 H new ATOM 263 N PHE A 17 103.436 -11.176 5.847 1.00 0.00 N ATOM 264 CA PHE A 17 103.437 -9.754 6.269 1.00 0.00 C ATOM 265 C PHE A 17 101.997 -9.302 6.465 1.00 0.00 C ATOM 266 O PHE A 17 101.577 -8.952 7.552 1.00 0.00 O ATOM 267 CB PHE A 17 104.090 -8.925 5.170 1.00 0.00 C ATOM 268 CG PHE A 17 103.962 -7.459 5.484 1.00 0.00 C ATOM 269 CD1 PHE A 17 104.974 -6.825 6.199 1.00 0.00 C ATOM 270 CD2 PHE A 17 102.845 -6.733 5.054 1.00 0.00 C ATOM 271 CE1 PHE A 17 104.881 -5.461 6.491 1.00 0.00 C ATOM 272 CE2 PHE A 17 102.745 -5.368 5.346 1.00 0.00 C ATOM 273 CZ PHE A 17 103.764 -4.731 6.065 1.00 0.00 C ATOM 0 H PHE A 17 103.685 -11.339 4.871 1.00 0.00 H new ATOM 0 HA PHE A 17 103.988 -9.629 7.201 1.00 0.00 H new ATOM 0 HB2 PHE A 17 105.142 -9.195 5.077 1.00 0.00 H new ATOM 0 HB3 PHE A 17 103.619 -9.142 4.211 1.00 0.00 H new ATOM 0 HD1 PHE A 17 105.834 -7.389 6.529 1.00 0.00 H new ATOM 0 HD2 PHE A 17 102.061 -7.226 4.498 1.00 0.00 H new ATOM 0 HE1 PHE A 17 105.669 -4.971 7.044 1.00 0.00 H new ATOM 0 HE2 PHE A 17 101.883 -4.807 5.017 1.00 0.00 H new ATOM 0 HZ PHE A 17 103.689 -3.678 6.291 1.00 0.00 H new ATOM 283 N MET A 18 101.238 -9.320 5.413 1.00 0.00 N ATOM 284 CA MET A 18 99.813 -8.904 5.516 1.00 0.00 C ATOM 285 C MET A 18 99.111 -9.757 6.576 1.00 0.00 C ATOM 286 O MET A 18 98.112 -9.358 7.143 1.00 0.00 O ATOM 287 CB MET A 18 99.123 -9.101 4.163 1.00 0.00 C ATOM 288 CG MET A 18 99.815 -8.237 3.107 1.00 0.00 C ATOM 289 SD MET A 18 99.679 -6.493 3.572 1.00 0.00 S ATOM 290 CE MET A 18 100.528 -5.808 2.128 1.00 0.00 C ATOM 0 H MET A 18 101.541 -9.605 4.482 1.00 0.00 H new ATOM 0 HA MET A 18 99.760 -7.853 5.799 1.00 0.00 H new ATOM 0 HB2 MET A 18 99.162 -10.151 3.872 1.00 0.00 H new ATOM 0 HB3 MET A 18 98.070 -8.830 4.237 1.00 0.00 H new ATOM 0 HG2 MET A 18 100.864 -8.521 3.020 1.00 0.00 H new ATOM 0 HG3 MET A 18 99.358 -8.401 2.131 1.00 0.00 H new ATOM 0 HE1 MET A 18 100.377 -4.729 2.095 1.00 0.00 H new ATOM 0 HE2 MET A 18 101.594 -6.023 2.197 1.00 0.00 H new ATOM 0 HE3 MET A 18 100.125 -6.259 1.221 1.00 0.00 H new ATOM 300 N GLU A 19 99.622 -10.927 6.854 1.00 0.00 N ATOM 301 CA GLU A 19 98.978 -11.792 7.880 1.00 0.00 C ATOM 302 C GLU A 19 99.332 -11.271 9.272 1.00 0.00 C ATOM 303 O GLU A 19 98.523 -11.285 10.178 1.00 0.00 O ATOM 304 CB GLU A 19 99.476 -13.231 7.729 1.00 0.00 C ATOM 305 CG GLU A 19 98.783 -14.125 8.761 1.00 0.00 C ATOM 306 CD GLU A 19 99.369 -15.536 8.688 1.00 0.00 C ATOM 307 OE1 GLU A 19 100.358 -15.781 9.360 1.00 0.00 O ATOM 308 OE2 GLU A 19 98.819 -16.349 7.962 1.00 0.00 O ATOM 0 H GLU A 19 100.455 -11.319 6.415 1.00 0.00 H new ATOM 0 HA GLU A 19 97.897 -11.772 7.745 1.00 0.00 H new ATOM 0 HB2 GLU A 19 99.270 -13.594 6.722 1.00 0.00 H new ATOM 0 HB3 GLU A 19 100.557 -13.269 7.867 1.00 0.00 H new ATOM 0 HG2 GLU A 19 98.918 -13.715 9.762 1.00 0.00 H new ATOM 0 HG3 GLU A 19 97.710 -14.155 8.570 1.00 0.00 H new ATOM 315 N LYS A 20 100.537 -10.807 9.450 1.00 0.00 N ATOM 316 CA LYS A 20 100.942 -10.282 10.781 1.00 0.00 C ATOM 317 C LYS A 20 100.110 -9.043 11.107 1.00 0.00 C ATOM 318 O LYS A 20 99.682 -8.845 12.226 1.00 0.00 O ATOM 319 CB LYS A 20 102.426 -9.913 10.759 1.00 0.00 C ATOM 320 CG LYS A 20 103.268 -11.190 10.719 1.00 0.00 C ATOM 321 CD LYS A 20 103.496 -11.698 12.143 1.00 0.00 C ATOM 322 CE LYS A 20 104.425 -12.913 12.111 1.00 0.00 C ATOM 323 NZ LYS A 20 105.101 -13.056 13.431 1.00 0.00 N ATOM 0 H LYS A 20 101.259 -10.769 8.730 1.00 0.00 H new ATOM 0 HA LYS A 20 100.775 -11.045 11.541 1.00 0.00 H new ATOM 0 HB2 LYS A 20 102.645 -9.293 9.890 1.00 0.00 H new ATOM 0 HB3 LYS A 20 102.679 -9.325 11.641 1.00 0.00 H new ATOM 0 HG2 LYS A 20 102.763 -11.953 10.126 1.00 0.00 H new ATOM 0 HG3 LYS A 20 104.224 -10.992 10.235 1.00 0.00 H new ATOM 0 HD2 LYS A 20 103.933 -10.909 12.756 1.00 0.00 H new ATOM 0 HD3 LYS A 20 102.544 -11.967 12.601 1.00 0.00 H new ATOM 0 HE2 LYS A 20 103.855 -13.814 11.883 1.00 0.00 H new ATOM 0 HE3 LYS A 20 105.167 -12.796 11.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 105.733 -13.882 13.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 105.657 -12.200 13.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 104.386 -13.186 14.175 1.00 0.00 H new ATOM 337 N MET A 21 99.872 -8.210 10.134 1.00 0.00 N ATOM 338 CA MET A 21 99.061 -6.988 10.385 1.00 0.00 C ATOM 339 C MET A 21 97.635 -7.400 10.752 1.00 0.00 C ATOM 340 O MET A 21 96.831 -6.590 11.169 1.00 0.00 O ATOM 341 CB MET A 21 99.038 -6.122 9.126 1.00 0.00 C ATOM 342 CG MET A 21 100.294 -5.249 9.082 1.00 0.00 C ATOM 343 SD MET A 21 100.730 -4.905 7.360 1.00 0.00 S ATOM 344 CE MET A 21 99.077 -4.429 6.798 1.00 0.00 C ATOM 0 H MET A 21 100.204 -8.323 9.176 1.00 0.00 H new ATOM 0 HA MET A 21 99.499 -6.418 11.204 1.00 0.00 H new ATOM 0 HB2 MET A 21 98.990 -6.753 8.239 1.00 0.00 H new ATOM 0 HB3 MET A 21 98.146 -5.495 9.120 1.00 0.00 H new ATOM 0 HG2 MET A 21 100.120 -4.316 9.618 1.00 0.00 H new ATOM 0 HG3 MET A 21 101.119 -5.755 9.583 1.00 0.00 H new ATOM 0 HE1 MET A 21 99.163 -3.744 5.954 1.00 0.00 H new ATOM 0 HE2 MET A 21 98.528 -5.318 6.489 1.00 0.00 H new ATOM 0 HE3 MET A 21 98.544 -3.937 7.612 1.00 0.00 H new ATOM 354 N GLY A 22 97.315 -8.658 10.600 1.00 0.00 N ATOM 355 CA GLY A 22 95.940 -9.123 10.940 1.00 0.00 C ATOM 356 C GLY A 22 95.012 -8.894 9.748 1.00 0.00 C ATOM 357 O GLY A 22 93.827 -8.672 9.905 1.00 0.00 O ATOM 0 H GLY A 22 97.946 -9.382 10.256 1.00 0.00 H new ATOM 0 HA2 GLY A 22 95.957 -10.181 11.202 1.00 0.00 H new ATOM 0 HA3 GLY A 22 95.568 -8.585 11.812 1.00 0.00 H new ATOM 361 N VAL A 23 95.539 -8.944 8.556 1.00 0.00 N ATOM 362 CA VAL A 23 94.687 -8.727 7.354 1.00 0.00 C ATOM 363 C VAL A 23 93.922 -10.013 7.033 1.00 0.00 C ATOM 364 O VAL A 23 94.503 -11.072 6.890 1.00 0.00 O ATOM 365 CB VAL A 23 95.573 -8.349 6.165 1.00 0.00 C ATOM 366 CG1 VAL A 23 94.693 -7.909 4.993 1.00 0.00 C ATOM 367 CG2 VAL A 23 96.500 -7.199 6.564 1.00 0.00 C ATOM 0 H VAL A 23 96.524 -9.126 8.363 1.00 0.00 H new ATOM 0 HA VAL A 23 93.978 -7.922 7.550 1.00 0.00 H new ATOM 0 HB VAL A 23 96.170 -9.212 5.869 1.00 0.00 H new ATOM 0 HG11 VAL A 23 95.324 -7.640 4.146 1.00 0.00 H new ATOM 0 HG12 VAL A 23 94.032 -8.727 4.708 1.00 0.00 H new ATOM 0 HG13 VAL A 23 94.096 -7.047 5.290 1.00 0.00 H new ATOM 0 HG21 VAL A 23 97.131 -6.930 5.717 1.00 0.00 H new ATOM 0 HG22 VAL A 23 95.903 -6.337 6.860 1.00 0.00 H new ATOM 0 HG23 VAL A 23 97.127 -7.510 7.399 1.00 0.00 H new ATOM 377 N ASN A 24 92.624 -9.932 6.918 1.00 0.00 N ATOM 378 CA ASN A 24 91.826 -11.152 6.605 1.00 0.00 C ATOM 379 C ASN A 24 92.546 -11.964 5.526 1.00 0.00 C ATOM 380 O ASN A 24 93.452 -11.482 4.875 1.00 0.00 O ATOM 381 CB ASN A 24 90.442 -10.742 6.097 1.00 0.00 C ATOM 382 CG ASN A 24 89.590 -10.258 7.271 1.00 0.00 C ATOM 383 OD1 ASN A 24 88.741 -10.978 7.758 1.00 0.00 O ATOM 384 ND2 ASN A 24 89.781 -9.059 7.750 1.00 0.00 N ATOM 0 H ASN A 24 92.082 -9.075 7.027 1.00 0.00 H new ATOM 0 HA ASN A 24 91.716 -11.757 7.505 1.00 0.00 H new ATOM 0 HB2 ASN A 24 90.536 -9.952 5.352 1.00 0.00 H new ATOM 0 HB3 ASN A 24 89.958 -11.587 5.607 1.00 0.00 H new ATOM 0 HD21 ASN A 24 89.218 -8.727 8.533 1.00 0.00 H new ATOM 0 HD22 ASN A 24 90.494 -8.454 7.342 1.00 0.00 H new ATOM 391 N ILE A 25 92.155 -13.193 5.331 1.00 0.00 N ATOM 392 CA ILE A 25 92.825 -14.028 4.295 1.00 0.00 C ATOM 393 C ILE A 25 92.283 -13.652 2.922 1.00 0.00 C ATOM 394 O ILE A 25 92.703 -14.158 1.900 1.00 0.00 O ATOM 395 CB ILE A 25 92.558 -15.508 4.583 1.00 0.00 C ATOM 396 CG1 ILE A 25 93.612 -16.035 5.565 1.00 0.00 C ATOM 397 CG2 ILE A 25 92.617 -16.313 3.283 1.00 0.00 C ATOM 398 CD1 ILE A 25 94.902 -16.379 4.814 1.00 0.00 C ATOM 0 H ILE A 25 91.403 -13.654 5.843 1.00 0.00 H new ATOM 0 HA ILE A 25 93.901 -13.853 4.315 1.00 0.00 H new ATOM 0 HB ILE A 25 91.566 -15.615 5.021 1.00 0.00 H new ATOM 0 HG12 ILE A 25 93.816 -15.285 6.330 1.00 0.00 H new ATOM 0 HG13 ILE A 25 93.233 -16.919 6.078 1.00 0.00 H new ATOM 0 HG21 ILE A 25 92.426 -17.365 3.497 1.00 0.00 H new ATOM 0 HG22 ILE A 25 91.862 -15.941 2.590 1.00 0.00 H new ATOM 0 HG23 ILE A 25 93.605 -16.208 2.834 1.00 0.00 H new ATOM 0 HD11 ILE A 25 95.645 -16.752 5.519 1.00 0.00 H new ATOM 0 HD12 ILE A 25 94.695 -17.144 4.066 1.00 0.00 H new ATOM 0 HD13 ILE A 25 95.286 -15.485 4.322 1.00 0.00 H new ATOM 410 N VAL A 26 91.360 -12.755 2.908 1.00 0.00 N ATOM 411 CA VAL A 26 90.764 -12.304 1.620 1.00 0.00 C ATOM 412 C VAL A 26 91.696 -11.291 0.963 1.00 0.00 C ATOM 413 O VAL A 26 92.184 -11.498 -0.130 1.00 0.00 O ATOM 414 CB VAL A 26 89.404 -11.656 1.884 1.00 0.00 C ATOM 415 CG1 VAL A 26 88.650 -11.495 0.562 1.00 0.00 C ATOM 416 CG2 VAL A 26 88.591 -12.543 2.830 1.00 0.00 C ATOM 0 H VAL A 26 90.981 -12.302 3.740 1.00 0.00 H new ATOM 0 HA VAL A 26 90.631 -13.160 0.958 1.00 0.00 H new ATOM 0 HB VAL A 26 89.551 -10.677 2.340 1.00 0.00 H new ATOM 0 HG11 VAL A 26 87.681 -11.033 0.750 1.00 0.00 H new ATOM 0 HG12 VAL A 26 89.228 -10.863 -0.112 1.00 0.00 H new ATOM 0 HG13 VAL A 26 88.503 -12.474 0.105 1.00 0.00 H new ATOM 0 HG21 VAL A 26 87.622 -12.081 3.018 1.00 0.00 H new ATOM 0 HG22 VAL A 26 88.444 -13.522 2.374 1.00 0.00 H new ATOM 0 HG23 VAL A 26 89.127 -12.658 3.772 1.00 0.00 H new ATOM 426 N LYS A 27 91.958 -10.204 1.628 1.00 0.00 N ATOM 427 CA LYS A 27 92.871 -9.183 1.048 1.00 0.00 C ATOM 428 C LYS A 27 94.267 -9.796 0.931 1.00 0.00 C ATOM 429 O LYS A 27 95.086 -9.365 0.145 1.00 0.00 O ATOM 430 CB LYS A 27 92.915 -7.953 1.964 1.00 0.00 C ATOM 431 CG LYS A 27 92.378 -6.730 1.214 1.00 0.00 C ATOM 432 CD LYS A 27 90.868 -6.881 1.003 1.00 0.00 C ATOM 433 CE LYS A 27 90.124 -6.321 2.218 1.00 0.00 C ATOM 434 NZ LYS A 27 89.924 -4.854 2.043 1.00 0.00 N ATOM 0 H LYS A 27 91.580 -9.978 2.548 1.00 0.00 H new ATOM 0 HA LYS A 27 92.517 -8.874 0.064 1.00 0.00 H new ATOM 0 HB2 LYS A 27 92.319 -8.133 2.859 1.00 0.00 H new ATOM 0 HB3 LYS A 27 93.938 -7.769 2.293 1.00 0.00 H new ATOM 0 HG2 LYS A 27 92.588 -5.822 1.780 1.00 0.00 H new ATOM 0 HG3 LYS A 27 92.882 -6.630 0.253 1.00 0.00 H new ATOM 0 HD2 LYS A 27 90.562 -6.352 0.100 1.00 0.00 H new ATOM 0 HD3 LYS A 27 90.613 -7.931 0.860 1.00 0.00 H new ATOM 0 HE2 LYS A 27 89.161 -6.820 2.330 1.00 0.00 H new ATOM 0 HE3 LYS A 27 90.692 -6.516 3.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 89.419 -4.472 2.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 90.848 -4.386 1.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 89.365 -4.680 1.183 1.00 0.00 H new ATOM 448 N ARG A 28 94.537 -10.808 1.710 1.00 0.00 N ATOM 449 CA ARG A 28 95.872 -11.464 1.652 1.00 0.00 C ATOM 450 C ARG A 28 95.973 -12.287 0.367 1.00 0.00 C ATOM 451 O ARG A 28 96.969 -12.254 -0.326 1.00 0.00 O ATOM 452 CB ARG A 28 96.038 -12.387 2.860 1.00 0.00 C ATOM 453 CG ARG A 28 97.493 -12.845 2.958 1.00 0.00 C ATOM 454 CD ARG A 28 97.564 -14.150 3.755 1.00 0.00 C ATOM 455 NE ARG A 28 97.283 -15.300 2.849 1.00 0.00 N ATOM 456 CZ ARG A 28 97.653 -16.504 3.189 1.00 0.00 C ATOM 457 NH1 ARG A 28 97.405 -17.511 2.398 1.00 0.00 N ATOM 458 NH2 ARG A 28 98.271 -16.700 4.322 1.00 0.00 N ATOM 0 H ARG A 28 93.887 -11.209 2.386 1.00 0.00 H new ATOM 0 HA ARG A 28 96.654 -10.705 1.664 1.00 0.00 H new ATOM 0 HB2 ARG A 28 95.748 -11.865 3.772 1.00 0.00 H new ATOM 0 HB3 ARG A 28 95.380 -13.251 2.764 1.00 0.00 H new ATOM 0 HG2 ARG A 28 97.907 -12.992 1.961 1.00 0.00 H new ATOM 0 HG3 ARG A 28 98.095 -12.077 3.443 1.00 0.00 H new ATOM 0 HD2 ARG A 28 98.550 -14.260 4.206 1.00 0.00 H new ATOM 0 HD3 ARG A 28 96.841 -14.131 4.571 1.00 0.00 H new ATOM 0 HE ARG A 28 96.801 -15.146 1.963 1.00 0.00 H new ATOM 0 HH11 ARG A 28 96.922 -17.357 1.513 1.00 0.00 H new ATOM 0 HH12 ARG A 28 97.695 -18.452 2.664 1.00 0.00 H new ATOM 0 HH21 ARG A 28 98.464 -15.912 4.941 1.00 0.00 H new ATOM 0 HH22 ARG A 28 98.561 -17.641 4.589 1.00 0.00 H new ATOM 472 N LYS A 29 94.946 -13.027 0.042 1.00 0.00 N ATOM 473 CA LYS A 29 94.988 -13.849 -1.200 1.00 0.00 C ATOM 474 C LYS A 29 94.915 -12.934 -2.423 1.00 0.00 C ATOM 475 O LYS A 29 95.489 -13.214 -3.456 1.00 0.00 O ATOM 476 CB LYS A 29 93.800 -14.813 -1.213 1.00 0.00 C ATOM 477 CG LYS A 29 94.143 -16.060 -0.395 1.00 0.00 C ATOM 478 CD LYS A 29 92.897 -16.936 -0.251 1.00 0.00 C ATOM 479 CE LYS A 29 92.314 -17.225 -1.636 1.00 0.00 C ATOM 480 NZ LYS A 29 91.492 -18.467 -1.580 1.00 0.00 N ATOM 0 H LYS A 29 94.083 -13.097 0.582 1.00 0.00 H new ATOM 0 HA LYS A 29 95.918 -14.416 -1.228 1.00 0.00 H new ATOM 0 HB2 LYS A 29 92.918 -14.325 -0.798 1.00 0.00 H new ATOM 0 HB3 LYS A 29 93.557 -15.093 -2.238 1.00 0.00 H new ATOM 0 HG2 LYS A 29 94.940 -16.621 -0.884 1.00 0.00 H new ATOM 0 HG3 LYS A 29 94.513 -15.772 0.589 1.00 0.00 H new ATOM 0 HD2 LYS A 29 93.152 -17.870 0.250 1.00 0.00 H new ATOM 0 HD3 LYS A 29 92.156 -16.433 0.370 1.00 0.00 H new ATOM 0 HE2 LYS A 29 91.702 -16.386 -1.967 1.00 0.00 H new ATOM 0 HE3 LYS A 29 93.117 -17.340 -2.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 91.096 -18.664 -2.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 92.089 -19.265 -1.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 90.717 -18.340 -0.898 1.00 0.00 H new ATOM 494 N LEU A 30 94.211 -11.842 -2.314 1.00 0.00 N ATOM 495 CA LEU A 30 94.098 -10.910 -3.470 1.00 0.00 C ATOM 496 C LEU A 30 95.268 -9.940 -3.464 1.00 0.00 C ATOM 497 O LEU A 30 95.529 -9.240 -4.422 1.00 0.00 O ATOM 498 CB LEU A 30 92.779 -10.137 -3.392 1.00 0.00 C ATOM 499 CG LEU A 30 91.636 -11.028 -3.881 1.00 0.00 C ATOM 500 CD1 LEU A 30 90.324 -10.579 -3.233 1.00 0.00 C ATOM 501 CD2 LEU A 30 91.516 -10.915 -5.402 1.00 0.00 C ATOM 0 H LEU A 30 93.709 -11.555 -1.474 1.00 0.00 H new ATOM 0 HA LEU A 30 94.116 -11.486 -4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 30 92.592 -9.818 -2.367 1.00 0.00 H new ATOM 0 HB3 LEU A 30 92.837 -9.235 -4.001 1.00 0.00 H new ATOM 0 HG LEU A 30 91.841 -12.063 -3.607 1.00 0.00 H new ATOM 0 HD11 LEU A 30 89.510 -11.214 -3.582 1.00 0.00 H new ATOM 0 HD12 LEU A 30 90.408 -10.659 -2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 30 90.119 -9.544 -3.506 1.00 0.00 H new ATOM 0 HD21 LEU A 30 90.702 -11.550 -5.751 1.00 0.00 H new ATOM 0 HD22 LEU A 30 91.312 -9.880 -5.675 1.00 0.00 H new ATOM 0 HD23 LEU A 30 92.449 -11.235 -5.865 1.00 0.00 H new ATOM 513 N ALA A 31 95.964 -9.903 -2.383 1.00 0.00 N ATOM 514 CA ALA A 31 97.134 -8.988 -2.265 1.00 0.00 C ATOM 515 C ALA A 31 98.334 -9.592 -2.997 1.00 0.00 C ATOM 516 O ALA A 31 99.025 -8.919 -3.734 1.00 0.00 O ATOM 517 CB ALA A 31 97.484 -8.793 -0.790 1.00 0.00 C ATOM 0 H ALA A 31 95.779 -10.472 -1.557 1.00 0.00 H new ATOM 0 HA ALA A 31 96.885 -8.025 -2.710 1.00 0.00 H new ATOM 0 HB1 ALA A 31 98.340 -8.124 -0.705 1.00 0.00 H new ATOM 0 HB2 ALA A 31 96.631 -8.360 -0.268 1.00 0.00 H new ATOM 0 HB3 ALA A 31 97.731 -9.757 -0.344 1.00 0.00 H new ATOM 523 N ALA A 32 98.588 -10.856 -2.795 1.00 0.00 N ATOM 524 CA ALA A 32 99.746 -11.502 -3.477 1.00 0.00 C ATOM 525 C ALA A 32 99.812 -11.026 -4.930 1.00 0.00 C ATOM 526 O ALA A 32 100.850 -11.067 -5.559 1.00 0.00 O ATOM 527 CB ALA A 32 99.574 -13.021 -3.445 1.00 0.00 C ATOM 0 H ALA A 32 98.044 -11.469 -2.188 1.00 0.00 H new ATOM 0 HA ALA A 32 100.668 -11.230 -2.963 1.00 0.00 H new ATOM 0 HB1 ALA A 32 100.420 -13.494 -3.943 1.00 0.00 H new ATOM 0 HB2 ALA A 32 99.527 -13.360 -2.410 1.00 0.00 H new ATOM 0 HB3 ALA A 32 98.652 -13.294 -3.959 1.00 0.00 H new ATOM 533 N HIS A 33 98.712 -10.572 -5.466 1.00 0.00 N ATOM 534 CA HIS A 33 98.715 -10.093 -6.877 1.00 0.00 C ATOM 535 C HIS A 33 99.521 -8.796 -6.969 1.00 0.00 C ATOM 536 O HIS A 33 99.175 -7.888 -7.699 1.00 0.00 O ATOM 537 CB HIS A 33 97.277 -9.833 -7.331 1.00 0.00 C ATOM 538 CG HIS A 33 96.522 -11.134 -7.375 1.00 0.00 C ATOM 539 ND1 HIS A 33 95.252 -11.235 -7.925 1.00 0.00 N ATOM 540 CD2 HIS A 33 96.845 -12.396 -6.941 1.00 0.00 C ATOM 541 CE1 HIS A 33 94.861 -12.517 -7.810 1.00 0.00 C ATOM 542 NE2 HIS A 33 95.794 -13.264 -7.217 1.00 0.00 N ATOM 0 H HIS A 33 97.813 -10.512 -4.988 1.00 0.00 H new ATOM 0 HA HIS A 33 99.166 -10.850 -7.519 1.00 0.00 H new ATOM 0 HB2 HIS A 33 96.788 -9.139 -6.647 1.00 0.00 H new ATOM 0 HB3 HIS A 33 97.274 -9.365 -8.315 1.00 0.00 H new ATOM 0 HD2 HIS A 33 97.772 -12.672 -6.460 1.00 0.00 H new ATOM 0 HE1 HIS A 33 93.910 -12.895 -8.155 1.00 0.00 H new ATOM 0 HE2 HIS A 33 95.746 -14.262 -7.010 1.00 0.00 H new ATOM 550 N ASP A 34 100.595 -8.703 -6.235 1.00 0.00 N ATOM 551 CA ASP A 34 101.426 -7.467 -6.278 1.00 0.00 C ATOM 552 C ASP A 34 101.750 -7.118 -7.732 1.00 0.00 C ATOM 553 O ASP A 34 102.692 -7.622 -8.308 1.00 0.00 O ATOM 554 CB ASP A 34 102.725 -7.701 -5.504 1.00 0.00 C ATOM 555 CG ASP A 34 102.421 -8.468 -4.216 1.00 0.00 C ATOM 556 OD1 ASP A 34 101.289 -8.407 -3.766 1.00 0.00 O ATOM 557 OD2 ASP A 34 103.325 -9.104 -3.701 1.00 0.00 O ATOM 0 H ASP A 34 100.934 -9.431 -5.606 1.00 0.00 H new ATOM 0 HA ASP A 34 100.876 -6.643 -5.824 1.00 0.00 H new ATOM 0 HB2 ASP A 34 103.430 -8.263 -6.117 1.00 0.00 H new ATOM 0 HB3 ASP A 34 103.197 -6.747 -5.269 1.00 0.00 H new ATOM 562 N ASN A 35 100.972 -6.256 -8.329 1.00 0.00 N ATOM 563 CA ASN A 35 101.227 -5.866 -9.742 1.00 0.00 C ATOM 564 C ASN A 35 100.802 -4.410 -9.947 1.00 0.00 C ATOM 565 O ASN A 35 100.173 -4.070 -10.929 1.00 0.00 O ATOM 566 CB ASN A 35 100.415 -6.769 -10.674 1.00 0.00 C ATOM 567 CG ASN A 35 101.155 -8.094 -10.875 1.00 0.00 C ATOM 568 OD1 ASN A 35 100.788 -9.101 -10.303 1.00 0.00 O ATOM 569 ND2 ASN A 35 102.189 -8.135 -11.670 1.00 0.00 N ATOM 0 H ASN A 35 100.167 -5.804 -7.895 1.00 0.00 H new ATOM 0 HA ASN A 35 102.288 -5.974 -9.966 1.00 0.00 H new ATOM 0 HB2 ASN A 35 99.428 -6.953 -10.250 1.00 0.00 H new ATOM 0 HB3 ASN A 35 100.263 -6.276 -11.634 1.00 0.00 H new ATOM 0 HD21 ASN A 35 102.689 -9.013 -11.811 1.00 0.00 H new ATOM 0 HD22 ASN A 35 102.497 -7.289 -12.150 1.00 0.00 H new ATOM 576 N LEU A 36 101.123 -3.547 -9.019 1.00 0.00 N ATOM 577 CA LEU A 36 100.716 -2.121 -9.159 1.00 0.00 C ATOM 578 C LEU A 36 101.865 -1.279 -9.723 1.00 0.00 C ATOM 579 O LEU A 36 102.994 -1.728 -9.841 1.00 0.00 O ATOM 580 CB LEU A 36 100.299 -1.571 -7.790 1.00 0.00 C ATOM 581 CG LEU A 36 101.508 -1.521 -6.848 1.00 0.00 C ATOM 582 CD1 LEU A 36 101.391 -0.300 -5.933 1.00 0.00 C ATOM 583 CD2 LEU A 36 101.546 -2.792 -5.995 1.00 0.00 C ATOM 0 H LEU A 36 101.648 -3.769 -8.173 1.00 0.00 H new ATOM 0 HA LEU A 36 99.876 -2.066 -9.851 1.00 0.00 H new ATOM 0 HB2 LEU A 36 99.877 -0.573 -7.904 1.00 0.00 H new ATOM 0 HB3 LEU A 36 99.519 -2.200 -7.360 1.00 0.00 H new ATOM 0 HG LEU A 36 102.423 -1.450 -7.437 1.00 0.00 H new ATOM 0 HD11 LEU A 36 102.250 -0.264 -5.263 1.00 0.00 H new ATOM 0 HD12 LEU A 36 101.364 0.607 -6.538 1.00 0.00 H new ATOM 0 HD13 LEU A 36 100.476 -0.372 -5.346 1.00 0.00 H new ATOM 0 HD21 LEU A 36 102.406 -2.756 -5.326 1.00 0.00 H new ATOM 0 HD22 LEU A 36 100.631 -2.863 -5.407 1.00 0.00 H new ATOM 0 HD23 LEU A 36 101.628 -3.664 -6.644 1.00 0.00 H new ATOM 595 N LYS A 37 101.573 -0.050 -10.067 1.00 0.00 N ATOM 596 CA LYS A 37 102.616 0.854 -10.627 1.00 0.00 C ATOM 597 C LYS A 37 102.968 1.927 -9.594 1.00 0.00 C ATOM 598 O LYS A 37 102.114 2.425 -8.888 1.00 0.00 O ATOM 599 CB LYS A 37 102.070 1.527 -11.890 1.00 0.00 C ATOM 600 CG LYS A 37 103.213 1.790 -12.872 1.00 0.00 C ATOM 601 CD LYS A 37 102.776 2.842 -13.895 1.00 0.00 C ATOM 602 CE LYS A 37 103.553 2.642 -15.198 1.00 0.00 C ATOM 603 NZ LYS A 37 102.948 1.521 -15.970 1.00 0.00 N ATOM 0 H LYS A 37 100.646 0.367 -9.982 1.00 0.00 H new ATOM 0 HA LYS A 37 103.509 0.278 -10.871 1.00 0.00 H new ATOM 0 HB2 LYS A 37 101.317 0.891 -12.356 1.00 0.00 H new ATOM 0 HB3 LYS A 37 101.579 2.465 -11.630 1.00 0.00 H new ATOM 0 HG2 LYS A 37 104.096 2.135 -12.334 1.00 0.00 H new ATOM 0 HG3 LYS A 37 103.490 0.866 -13.380 1.00 0.00 H new ATOM 0 HD2 LYS A 37 101.705 2.760 -14.082 1.00 0.00 H new ATOM 0 HD3 LYS A 37 102.955 3.843 -13.502 1.00 0.00 H new ATOM 0 HE2 LYS A 37 103.534 3.557 -15.790 1.00 0.00 H new ATOM 0 HE3 LYS A 37 104.599 2.425 -14.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 103.687 1.041 -16.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 102.511 0.843 -15.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 102.223 1.895 -16.615 1.00 0.00 H new ATOM 617 N LEU A 38 104.217 2.293 -9.503 1.00 0.00 N ATOM 618 CA LEU A 38 104.616 3.338 -8.518 1.00 0.00 C ATOM 619 C LEU A 38 105.641 4.281 -9.152 1.00 0.00 C ATOM 620 O LEU A 38 106.644 3.854 -9.688 1.00 0.00 O ATOM 621 CB LEU A 38 105.241 2.681 -7.283 1.00 0.00 C ATOM 622 CG LEU A 38 104.395 1.480 -6.844 1.00 0.00 C ATOM 623 CD1 LEU A 38 104.931 0.203 -7.499 1.00 0.00 C ATOM 624 CD2 LEU A 38 104.460 1.335 -5.320 1.00 0.00 C ATOM 0 H LEU A 38 104.978 1.914 -10.067 1.00 0.00 H new ATOM 0 HA LEU A 38 103.730 3.900 -8.224 1.00 0.00 H new ATOM 0 HB2 LEU A 38 106.257 2.358 -7.508 1.00 0.00 H new ATOM 0 HB3 LEU A 38 105.309 3.405 -6.471 1.00 0.00 H new ATOM 0 HG LEU A 38 103.361 1.639 -7.151 1.00 0.00 H new ATOM 0 HD11 LEU A 38 104.327 -0.648 -7.185 1.00 0.00 H new ATOM 0 HD12 LEU A 38 104.882 0.302 -8.583 1.00 0.00 H new ATOM 0 HD13 LEU A 38 105.966 0.045 -7.196 1.00 0.00 H new ATOM 0 HD21 LEU A 38 103.858 0.481 -5.010 1.00 0.00 H new ATOM 0 HD22 LEU A 38 105.494 1.181 -5.013 1.00 0.00 H new ATOM 0 HD23 LEU A 38 104.074 2.240 -4.852 1.00 0.00 H new ATOM 636 N THR A 39 105.399 5.562 -9.084 1.00 0.00 N ATOM 637 CA THR A 39 106.365 6.535 -9.669 1.00 0.00 C ATOM 638 C THR A 39 107.176 7.160 -8.532 1.00 0.00 C ATOM 639 O THR A 39 106.637 7.814 -7.663 1.00 0.00 O ATOM 640 CB THR A 39 105.601 7.629 -10.424 1.00 0.00 C ATOM 641 OG1 THR A 39 105.188 7.126 -11.687 1.00 0.00 O ATOM 642 CG2 THR A 39 106.507 8.844 -10.628 1.00 0.00 C ATOM 0 H THR A 39 104.575 5.976 -8.649 1.00 0.00 H new ATOM 0 HA THR A 39 107.032 6.027 -10.365 1.00 0.00 H new ATOM 0 HB THR A 39 104.727 7.927 -9.845 1.00 0.00 H new ATOM 0 HG1 THR A 39 104.698 7.822 -12.172 1.00 0.00 H new ATOM 0 HG21 THR A 39 105.960 9.619 -11.165 1.00 0.00 H new ATOM 0 HG22 THR A 39 106.824 9.229 -9.659 1.00 0.00 H new ATOM 0 HG23 THR A 39 107.383 8.551 -11.206 1.00 0.00 H new ATOM 650 N ILE A 40 108.465 6.949 -8.519 1.00 0.00 N ATOM 651 CA ILE A 40 109.295 7.518 -7.418 1.00 0.00 C ATOM 652 C ILE A 40 110.074 8.740 -7.907 1.00 0.00 C ATOM 653 O ILE A 40 110.845 8.667 -8.843 1.00 0.00 O ATOM 654 CB ILE A 40 110.277 6.455 -6.927 1.00 0.00 C ATOM 655 CG1 ILE A 40 109.496 5.303 -6.289 1.00 0.00 C ATOM 656 CG2 ILE A 40 111.214 7.071 -5.886 1.00 0.00 C ATOM 657 CD1 ILE A 40 108.975 4.354 -7.373 1.00 0.00 C ATOM 0 H ILE A 40 108.977 6.411 -9.218 1.00 0.00 H new ATOM 0 HA ILE A 40 108.637 7.825 -6.605 1.00 0.00 H new ATOM 0 HB ILE A 40 110.862 6.081 -7.767 1.00 0.00 H new ATOM 0 HG12 ILE A 40 110.138 4.758 -5.596 1.00 0.00 H new ATOM 0 HG13 ILE A 40 108.662 5.697 -5.708 1.00 0.00 H new ATOM 0 HG21 ILE A 40 111.915 6.314 -5.535 1.00 0.00 H new ATOM 0 HG22 ILE A 40 111.766 7.896 -6.336 1.00 0.00 H new ATOM 0 HG23 ILE A 40 110.629 7.442 -5.044 1.00 0.00 H new ATOM 0 HD11 ILE A 40 108.421 3.539 -6.907 1.00 0.00 H new ATOM 0 HD12 ILE A 40 108.317 4.900 -8.049 1.00 0.00 H new ATOM 0 HD13 ILE A 40 109.816 3.947 -7.935 1.00 0.00 H new ATOM 669 N THR A 41 109.888 9.861 -7.262 1.00 0.00 N ATOM 670 CA THR A 41 110.621 11.091 -7.657 1.00 0.00 C ATOM 671 C THR A 41 111.469 11.551 -6.470 1.00 0.00 C ATOM 672 O THR A 41 111.137 11.299 -5.329 1.00 0.00 O ATOM 673 CB THR A 41 109.622 12.188 -8.031 1.00 0.00 C ATOM 674 OG1 THR A 41 108.463 11.596 -8.601 1.00 0.00 O ATOM 675 CG2 THR A 41 110.261 13.141 -9.041 1.00 0.00 C ATOM 0 H THR A 41 109.253 9.974 -6.472 1.00 0.00 H new ATOM 0 HA THR A 41 111.259 10.887 -8.517 1.00 0.00 H new ATOM 0 HB THR A 41 109.343 12.746 -7.137 1.00 0.00 H new ATOM 0 HG1 THR A 41 107.821 12.297 -8.840 1.00 0.00 H new ATOM 0 HG21 THR A 41 109.548 13.922 -9.306 1.00 0.00 H new ATOM 0 HG22 THR A 41 111.149 13.595 -8.601 1.00 0.00 H new ATOM 0 HG23 THR A 41 110.542 12.587 -9.937 1.00 0.00 H new ATOM 683 N GLN A 42 112.563 12.215 -6.723 1.00 0.00 N ATOM 684 CA GLN A 42 113.426 12.678 -5.597 1.00 0.00 C ATOM 685 C GLN A 42 113.659 14.186 -5.708 1.00 0.00 C ATOM 686 O GLN A 42 113.768 14.728 -6.790 1.00 0.00 O ATOM 687 CB GLN A 42 114.771 11.951 -5.659 1.00 0.00 C ATOM 688 CG GLN A 42 115.528 12.382 -6.918 1.00 0.00 C ATOM 689 CD GLN A 42 116.676 11.407 -7.183 1.00 0.00 C ATOM 690 OE1 GLN A 42 116.756 10.364 -6.567 1.00 0.00 O ATOM 691 NE2 GLN A 42 117.574 11.705 -8.082 1.00 0.00 N ATOM 0 H GLN A 42 112.897 12.457 -7.656 1.00 0.00 H new ATOM 0 HA GLN A 42 112.932 12.459 -4.650 1.00 0.00 H new ATOM 0 HB2 GLN A 42 115.361 12.179 -4.771 1.00 0.00 H new ATOM 0 HB3 GLN A 42 114.613 10.873 -5.668 1.00 0.00 H new ATOM 0 HG2 GLN A 42 114.851 12.404 -7.772 1.00 0.00 H new ATOM 0 HG3 GLN A 42 115.917 13.393 -6.793 1.00 0.00 H new ATOM 0 HE21 GLN A 42 117.506 12.581 -8.599 1.00 0.00 H new ATOM 0 HE22 GLN A 42 118.343 11.061 -8.267 1.00 0.00 H new ATOM 700 N GLU A 43 113.743 14.870 -4.597 1.00 0.00 N ATOM 701 CA GLU A 43 113.976 16.341 -4.647 1.00 0.00 C ATOM 702 C GLU A 43 114.964 16.738 -3.548 1.00 0.00 C ATOM 703 O GLU A 43 114.585 17.246 -2.511 1.00 0.00 O ATOM 704 CB GLU A 43 112.653 17.081 -4.438 1.00 0.00 C ATOM 705 CG GLU A 43 111.538 16.367 -5.206 1.00 0.00 C ATOM 706 CD GLU A 43 110.203 17.059 -4.928 1.00 0.00 C ATOM 707 OE1 GLU A 43 109.674 16.871 -3.845 1.00 0.00 O ATOM 708 OE2 GLU A 43 109.731 17.765 -5.804 1.00 0.00 O ATOM 0 H GLU A 43 113.660 14.474 -3.661 1.00 0.00 H new ATOM 0 HA GLU A 43 114.387 16.608 -5.620 1.00 0.00 H new ATOM 0 HB2 GLU A 43 112.410 17.119 -3.376 1.00 0.00 H new ATOM 0 HB3 GLU A 43 112.743 18.111 -4.782 1.00 0.00 H new ATOM 0 HG2 GLU A 43 111.751 16.381 -6.275 1.00 0.00 H new ATOM 0 HG3 GLU A 43 111.487 15.321 -4.905 1.00 0.00 H new ATOM 715 N GLY A 44 116.230 16.519 -3.775 1.00 0.00 N ATOM 716 CA GLY A 44 117.254 16.889 -2.757 1.00 0.00 C ATOM 717 C GLY A 44 116.887 16.306 -1.388 1.00 0.00 C ATOM 718 O GLY A 44 117.407 15.286 -0.979 1.00 0.00 O ATOM 0 H GLY A 44 116.601 16.097 -4.626 1.00 0.00 H new ATOM 0 HA2 GLY A 44 118.232 16.519 -3.066 1.00 0.00 H new ATOM 0 HA3 GLY A 44 117.331 17.974 -2.688 1.00 0.00 H new ATOM 722 N ASN A 45 116.014 16.958 -0.668 1.00 0.00 N ATOM 723 CA ASN A 45 115.629 16.460 0.688 1.00 0.00 C ATOM 724 C ASN A 45 114.120 16.226 0.757 1.00 0.00 C ATOM 725 O ASN A 45 113.518 16.322 1.808 1.00 0.00 O ATOM 726 CB ASN A 45 116.035 17.489 1.744 1.00 0.00 C ATOM 727 CG ASN A 45 117.549 17.437 1.953 1.00 0.00 C ATOM 728 OD1 ASN A 45 118.276 18.255 1.424 1.00 0.00 O ATOM 729 ND2 ASN A 45 118.059 16.502 2.706 1.00 0.00 N ATOM 0 H ASN A 45 115.548 17.817 -0.960 1.00 0.00 H new ATOM 0 HA ASN A 45 116.142 15.517 0.877 1.00 0.00 H new ATOM 0 HB2 ASN A 45 115.735 18.488 1.427 1.00 0.00 H new ATOM 0 HB3 ASN A 45 115.521 17.284 2.683 1.00 0.00 H new ATOM 0 HD21 ASN A 45 119.068 16.457 2.851 1.00 0.00 H new ATOM 0 HD22 ASN A 45 117.449 15.815 3.150 1.00 0.00 H new ATOM 736 N LYS A 46 113.504 15.911 -0.345 1.00 0.00 N ATOM 737 CA LYS A 46 112.048 15.663 -0.336 1.00 0.00 C ATOM 738 C LYS A 46 111.716 14.724 -1.486 1.00 0.00 C ATOM 739 O LYS A 46 111.787 15.079 -2.645 1.00 0.00 O ATOM 740 CB LYS A 46 111.293 16.987 -0.517 1.00 0.00 C ATOM 741 CG LYS A 46 110.989 17.619 0.851 1.00 0.00 C ATOM 742 CD LYS A 46 111.685 18.977 0.958 1.00 0.00 C ATOM 743 CE LYS A 46 111.175 19.716 2.198 1.00 0.00 C ATOM 744 NZ LYS A 46 111.715 21.105 2.206 1.00 0.00 N ATOM 0 H LYS A 46 113.954 15.815 -1.255 1.00 0.00 H new ATOM 0 HA LYS A 46 111.751 15.217 0.613 1.00 0.00 H new ATOM 0 HB2 LYS A 46 111.889 17.674 -1.118 1.00 0.00 H new ATOM 0 HB3 LYS A 46 110.364 16.812 -1.059 1.00 0.00 H new ATOM 0 HG2 LYS A 46 109.913 17.740 0.975 1.00 0.00 H new ATOM 0 HG3 LYS A 46 111.330 16.961 1.650 1.00 0.00 H new ATOM 0 HD2 LYS A 46 112.765 18.840 1.021 1.00 0.00 H new ATOM 0 HD3 LYS A 46 111.491 19.569 0.063 1.00 0.00 H new ATOM 0 HE2 LYS A 46 110.085 19.738 2.199 1.00 0.00 H new ATOM 0 HE3 LYS A 46 111.484 19.189 3.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 111.369 21.607 3.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 112.754 21.073 2.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 111.399 21.605 1.351 1.00 0.00 H new ATOM 758 N PHE A 47 111.356 13.527 -1.162 1.00 0.00 N ATOM 759 CA PHE A 47 111.012 12.531 -2.212 1.00 0.00 C ATOM 760 C PHE A 47 109.503 12.543 -2.451 1.00 0.00 C ATOM 761 O PHE A 47 108.760 13.206 -1.755 1.00 0.00 O ATOM 762 CB PHE A 47 111.450 11.136 -1.759 1.00 0.00 C ATOM 763 CG PHE A 47 112.898 10.918 -2.130 1.00 0.00 C ATOM 764 CD1 PHE A 47 113.893 11.731 -1.573 1.00 0.00 C ATOM 765 CD2 PHE A 47 113.244 9.903 -3.029 1.00 0.00 C ATOM 766 CE1 PHE A 47 115.235 11.529 -1.918 1.00 0.00 C ATOM 767 CE2 PHE A 47 114.586 9.701 -3.373 1.00 0.00 C ATOM 768 CZ PHE A 47 115.582 10.515 -2.818 1.00 0.00 C ATOM 0 H PHE A 47 111.282 13.185 -0.204 1.00 0.00 H new ATOM 0 HA PHE A 47 111.527 12.787 -3.138 1.00 0.00 H new ATOM 0 HB2 PHE A 47 111.320 11.034 -0.682 1.00 0.00 H new ATOM 0 HB3 PHE A 47 110.825 10.376 -2.228 1.00 0.00 H new ATOM 0 HD1 PHE A 47 113.625 12.513 -0.878 1.00 0.00 H new ATOM 0 HD2 PHE A 47 112.476 9.276 -3.457 1.00 0.00 H new ATOM 0 HE1 PHE A 47 116.003 12.156 -1.489 1.00 0.00 H new ATOM 0 HE2 PHE A 47 114.853 8.917 -4.066 1.00 0.00 H new ATOM 0 HZ PHE A 47 116.617 10.360 -3.085 1.00 0.00 H new ATOM 778 N THR A 48 109.040 11.814 -3.429 1.00 0.00 N ATOM 779 CA THR A 48 107.586 11.784 -3.707 1.00 0.00 C ATOM 780 C THR A 48 107.245 10.483 -4.427 1.00 0.00 C ATOM 781 O THR A 48 107.491 10.326 -5.608 1.00 0.00 O ATOM 782 CB THR A 48 107.215 12.970 -4.596 1.00 0.00 C ATOM 783 OG1 THR A 48 107.508 14.182 -3.914 1.00 0.00 O ATOM 784 CG2 THR A 48 105.723 12.916 -4.928 1.00 0.00 C ATOM 0 H THR A 48 109.612 11.238 -4.047 1.00 0.00 H new ATOM 0 HA THR A 48 107.029 11.845 -2.772 1.00 0.00 H new ATOM 0 HB THR A 48 107.791 12.925 -5.520 1.00 0.00 H new ATOM 0 HG1 THR A 48 107.272 14.943 -4.484 1.00 0.00 H new ATOM 0 HG21 THR A 48 105.460 13.763 -5.562 1.00 0.00 H new ATOM 0 HG22 THR A 48 105.500 11.987 -5.453 1.00 0.00 H new ATOM 0 HG23 THR A 48 105.143 12.960 -4.006 1.00 0.00 H new ATOM 792 N VAL A 49 106.676 9.557 -3.722 1.00 0.00 N ATOM 793 CA VAL A 49 106.302 8.258 -4.342 1.00 0.00 C ATOM 794 C VAL A 49 104.820 8.282 -4.710 1.00 0.00 C ATOM 795 O VAL A 49 103.958 8.327 -3.854 1.00 0.00 O ATOM 796 CB VAL A 49 106.564 7.123 -3.351 1.00 0.00 C ATOM 797 CG1 VAL A 49 106.235 5.782 -4.011 1.00 0.00 C ATOM 798 CG2 VAL A 49 108.038 7.140 -2.936 1.00 0.00 C ATOM 0 H VAL A 49 106.450 9.642 -2.731 1.00 0.00 H new ATOM 0 HA VAL A 49 106.899 8.098 -5.240 1.00 0.00 H new ATOM 0 HB VAL A 49 105.936 7.257 -2.470 1.00 0.00 H new ATOM 0 HG11 VAL A 49 106.422 4.973 -3.305 1.00 0.00 H new ATOM 0 HG12 VAL A 49 105.186 5.770 -4.307 1.00 0.00 H new ATOM 0 HG13 VAL A 49 106.862 5.646 -4.892 1.00 0.00 H new ATOM 0 HG21 VAL A 49 108.226 6.332 -2.230 1.00 0.00 H new ATOM 0 HG22 VAL A 49 108.666 7.006 -3.817 1.00 0.00 H new ATOM 0 HG23 VAL A 49 108.273 8.095 -2.466 1.00 0.00 H new ATOM 808 N LYS A 50 104.513 8.256 -5.978 1.00 0.00 N ATOM 809 CA LYS A 50 103.085 8.280 -6.398 1.00 0.00 C ATOM 810 C LYS A 50 102.630 6.861 -6.744 1.00 0.00 C ATOM 811 O LYS A 50 102.896 6.359 -7.819 1.00 0.00 O ATOM 812 CB LYS A 50 102.931 9.183 -7.626 1.00 0.00 C ATOM 813 CG LYS A 50 102.636 10.615 -7.175 1.00 0.00 C ATOM 814 CD LYS A 50 102.702 11.554 -8.382 1.00 0.00 C ATOM 815 CE LYS A 50 102.071 12.898 -8.017 1.00 0.00 C ATOM 816 NZ LYS A 50 100.587 12.762 -7.996 1.00 0.00 N ATOM 0 H LYS A 50 105.190 8.219 -6.740 1.00 0.00 H new ATOM 0 HA LYS A 50 102.472 8.667 -5.584 1.00 0.00 H new ATOM 0 HB2 LYS A 50 103.842 9.160 -8.224 1.00 0.00 H new ATOM 0 HB3 LYS A 50 102.124 8.817 -8.260 1.00 0.00 H new ATOM 0 HG2 LYS A 50 101.650 10.667 -6.714 1.00 0.00 H new ATOM 0 HG3 LYS A 50 103.357 10.926 -6.419 1.00 0.00 H new ATOM 0 HD2 LYS A 50 103.738 11.698 -8.688 1.00 0.00 H new ATOM 0 HD3 LYS A 50 102.178 11.112 -9.229 1.00 0.00 H new ATOM 0 HE2 LYS A 50 102.430 13.227 -7.042 1.00 0.00 H new ATOM 0 HE3 LYS A 50 102.367 13.659 -8.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 100.151 13.703 -8.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 100.281 12.174 -8.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 100.292 12.313 -7.105 1.00 0.00 H new ATOM 830 N GLU A 51 101.938 6.211 -5.847 1.00 0.00 N ATOM 831 CA GLU A 51 101.463 4.830 -6.132 1.00 0.00 C ATOM 832 C GLU A 51 100.318 4.901 -7.145 1.00 0.00 C ATOM 833 O GLU A 51 99.641 5.904 -7.255 1.00 0.00 O ATOM 834 CB GLU A 51 100.968 4.183 -4.834 1.00 0.00 C ATOM 835 CG GLU A 51 100.003 3.040 -5.157 1.00 0.00 C ATOM 836 CD GLU A 51 99.906 2.100 -3.954 1.00 0.00 C ATOM 837 OE1 GLU A 51 98.805 1.668 -3.653 1.00 0.00 O ATOM 838 OE2 GLU A 51 100.932 1.827 -3.355 1.00 0.00 O ATOM 0 H GLU A 51 101.682 6.578 -4.930 1.00 0.00 H new ATOM 0 HA GLU A 51 102.278 4.232 -6.540 1.00 0.00 H new ATOM 0 HB2 GLU A 51 101.814 3.805 -4.260 1.00 0.00 H new ATOM 0 HB3 GLU A 51 100.469 4.927 -4.214 1.00 0.00 H new ATOM 0 HG2 GLU A 51 99.018 3.439 -5.401 1.00 0.00 H new ATOM 0 HG3 GLU A 51 100.351 2.492 -6.033 1.00 0.00 H new ATOM 845 N SER A 52 100.086 3.846 -7.877 1.00 0.00 N ATOM 846 CA SER A 52 98.984 3.862 -8.864 1.00 0.00 C ATOM 847 C SER A 52 98.615 2.432 -9.217 1.00 0.00 C ATOM 848 O SER A 52 99.321 1.738 -9.922 1.00 0.00 O ATOM 849 CB SER A 52 99.432 4.603 -10.124 1.00 0.00 C ATOM 850 OG SER A 52 100.163 5.765 -9.751 1.00 0.00 O ATOM 0 H SER A 52 100.616 2.976 -7.830 1.00 0.00 H new ATOM 0 HA SER A 52 98.119 4.371 -8.440 1.00 0.00 H new ATOM 0 HB2 SER A 52 100.051 3.952 -10.742 1.00 0.00 H new ATOM 0 HB3 SER A 52 98.565 4.881 -10.724 1.00 0.00 H new ATOM 0 HG SER A 52 99.777 6.146 -8.935 1.00 0.00 H new ATOM 856 N SER A 53 97.496 2.003 -8.733 1.00 0.00 N ATOM 857 CA SER A 53 97.020 0.631 -9.019 1.00 0.00 C ATOM 858 C SER A 53 95.526 0.697 -9.328 1.00 0.00 C ATOM 859 O SER A 53 94.800 1.480 -8.747 1.00 0.00 O ATOM 860 CB SER A 53 97.251 -0.258 -7.795 1.00 0.00 C ATOM 861 OG SER A 53 96.011 -0.482 -7.136 1.00 0.00 O ATOM 0 H SER A 53 96.877 2.555 -8.139 1.00 0.00 H new ATOM 0 HA SER A 53 97.563 0.213 -9.867 1.00 0.00 H new ATOM 0 HB2 SER A 53 97.691 -1.208 -8.099 1.00 0.00 H new ATOM 0 HB3 SER A 53 97.957 0.217 -7.114 1.00 0.00 H new ATOM 0 HG SER A 53 95.664 -1.364 -7.384 1.00 0.00 H new ATOM 867 N ALA A 54 95.054 -0.112 -10.229 1.00 0.00 N ATOM 868 CA ALA A 54 93.603 -0.082 -10.555 1.00 0.00 C ATOM 869 C ALA A 54 92.799 -0.347 -9.281 1.00 0.00 C ATOM 870 O ALA A 54 91.599 -0.534 -9.323 1.00 0.00 O ATOM 871 CB ALA A 54 93.289 -1.162 -11.592 1.00 0.00 C ATOM 0 H ALA A 54 95.606 -0.791 -10.753 1.00 0.00 H new ATOM 0 HA ALA A 54 93.338 0.894 -10.961 1.00 0.00 H new ATOM 0 HB1 ALA A 54 92.226 -1.139 -11.830 1.00 0.00 H new ATOM 0 HB2 ALA A 54 93.868 -0.977 -12.497 1.00 0.00 H new ATOM 0 HB3 ALA A 54 93.550 -2.140 -11.189 1.00 0.00 H new ATOM 877 N PHE A 55 93.454 -0.388 -8.148 1.00 0.00 N ATOM 878 CA PHE A 55 92.731 -0.668 -6.879 1.00 0.00 C ATOM 879 C PHE A 55 92.718 0.558 -5.958 1.00 0.00 C ATOM 880 O PHE A 55 91.789 0.743 -5.198 1.00 0.00 O ATOM 881 CB PHE A 55 93.414 -1.832 -6.158 1.00 0.00 C ATOM 882 CG PHE A 55 93.922 -2.825 -7.176 1.00 0.00 C ATOM 883 CD1 PHE A 55 95.247 -3.274 -7.114 1.00 0.00 C ATOM 884 CD2 PHE A 55 93.069 -3.297 -8.180 1.00 0.00 C ATOM 885 CE1 PHE A 55 95.718 -4.195 -8.057 1.00 0.00 C ATOM 886 CE2 PHE A 55 93.540 -4.217 -9.123 1.00 0.00 C ATOM 887 CZ PHE A 55 94.865 -4.667 -9.062 1.00 0.00 C ATOM 0 H PHE A 55 94.458 -0.239 -8.051 1.00 0.00 H new ATOM 0 HA PHE A 55 91.699 -0.921 -7.123 1.00 0.00 H new ATOM 0 HB2 PHE A 55 94.240 -1.463 -5.550 1.00 0.00 H new ATOM 0 HB3 PHE A 55 92.711 -2.317 -5.480 1.00 0.00 H new ATOM 0 HD1 PHE A 55 95.905 -2.910 -6.339 1.00 0.00 H new ATOM 0 HD2 PHE A 55 92.047 -2.951 -8.227 1.00 0.00 H new ATOM 0 HE1 PHE A 55 96.740 -4.542 -8.009 1.00 0.00 H new ATOM 0 HE2 PHE A 55 92.882 -4.580 -9.898 1.00 0.00 H new ATOM 0 HZ PHE A 55 95.228 -5.378 -9.790 1.00 0.00 H new ATOM 897 N ARG A 56 93.728 1.392 -5.994 1.00 0.00 N ATOM 898 CA ARG A 56 93.733 2.568 -5.093 1.00 0.00 C ATOM 899 C ARG A 56 95.032 3.349 -5.286 1.00 0.00 C ATOM 900 O ARG A 56 95.970 3.211 -4.527 1.00 0.00 O ATOM 901 CB ARG A 56 93.644 2.088 -3.643 1.00 0.00 C ATOM 902 CG ARG A 56 93.784 3.279 -2.698 1.00 0.00 C ATOM 903 CD ARG A 56 92.395 3.796 -2.321 1.00 0.00 C ATOM 904 NE ARG A 56 91.825 2.947 -1.237 1.00 0.00 N ATOM 905 CZ ARG A 56 92.326 3.003 -0.033 1.00 0.00 C ATOM 906 NH1 ARG A 56 91.826 2.259 0.917 1.00 0.00 N ATOM 907 NH2 ARG A 56 93.327 3.801 0.221 1.00 0.00 N ATOM 0 H ARG A 56 94.540 1.304 -6.606 1.00 0.00 H new ATOM 0 HA ARG A 56 92.883 3.211 -5.323 1.00 0.00 H new ATOM 0 HB2 ARG A 56 92.691 1.587 -3.473 1.00 0.00 H new ATOM 0 HB3 ARG A 56 94.428 1.358 -3.442 1.00 0.00 H new ATOM 0 HG2 ARG A 56 94.330 2.984 -1.802 1.00 0.00 H new ATOM 0 HG3 ARG A 56 94.361 4.071 -3.176 1.00 0.00 H new ATOM 0 HD2 ARG A 56 92.459 4.833 -1.990 1.00 0.00 H new ATOM 0 HD3 ARG A 56 91.740 3.779 -3.192 1.00 0.00 H new ATOM 0 HE ARG A 56 91.044 2.322 -1.436 1.00 0.00 H new ATOM 0 HH11 ARG A 56 91.044 1.635 0.718 1.00 0.00 H new ATOM 0 HH12 ARG A 56 92.217 2.302 1.858 1.00 0.00 H new ATOM 0 HH21 ARG A 56 93.718 4.381 -0.521 1.00 0.00 H new ATOM 0 HH22 ARG A 56 93.718 3.845 1.162 1.00 0.00 H new ATOM 921 N ASN A 57 95.093 4.172 -6.289 1.00 0.00 N ATOM 922 CA ASN A 57 96.334 4.964 -6.518 1.00 0.00 C ATOM 923 C ASN A 57 96.560 5.896 -5.326 1.00 0.00 C ATOM 924 O ASN A 57 95.630 6.455 -4.779 1.00 0.00 O ATOM 925 CB ASN A 57 96.183 5.794 -7.796 1.00 0.00 C ATOM 926 CG ASN A 57 95.022 6.777 -7.634 1.00 0.00 C ATOM 927 OD1 ASN A 57 95.135 7.933 -7.990 1.00 0.00 O ATOM 928 ND2 ASN A 57 93.902 6.363 -7.106 1.00 0.00 N ATOM 0 H ASN A 57 94.342 4.333 -6.960 1.00 0.00 H new ATOM 0 HA ASN A 57 97.185 4.291 -6.625 1.00 0.00 H new ATOM 0 HB2 ASN A 57 97.106 6.336 -8.001 1.00 0.00 H new ATOM 0 HB3 ASN A 57 96.002 5.139 -8.648 1.00 0.00 H new ATOM 0 HD21 ASN A 57 93.122 7.010 -6.992 1.00 0.00 H new ATOM 0 HD22 ASN A 57 93.807 5.392 -6.807 1.00 0.00 H new ATOM 935 N ILE A 58 97.787 6.052 -4.904 1.00 0.00 N ATOM 936 CA ILE A 58 98.067 6.926 -3.734 1.00 0.00 C ATOM 937 C ILE A 58 99.326 7.753 -3.974 1.00 0.00 C ATOM 938 O ILE A 58 100.028 7.586 -4.950 1.00 0.00 O ATOM 939 CB ILE A 58 98.285 6.076 -2.493 1.00 0.00 C ATOM 940 CG1 ILE A 58 97.404 4.834 -2.555 1.00 0.00 C ATOM 941 CG2 ILE A 58 97.934 6.887 -1.239 1.00 0.00 C ATOM 942 CD1 ILE A 58 97.392 4.183 -1.178 1.00 0.00 C ATOM 0 H ILE A 58 98.606 5.610 -5.321 1.00 0.00 H new ATOM 0 HA ILE A 58 97.213 7.588 -3.594 1.00 0.00 H new ATOM 0 HB ILE A 58 99.332 5.775 -2.449 1.00 0.00 H new ATOM 0 HG12 ILE A 58 96.391 5.102 -2.856 1.00 0.00 H new ATOM 0 HG13 ILE A 58 97.784 4.136 -3.301 1.00 0.00 H new ATOM 0 HG21 ILE A 58 98.092 6.273 -0.352 1.00 0.00 H new ATOM 0 HG22 ILE A 58 98.571 7.770 -1.187 1.00 0.00 H new ATOM 0 HG23 ILE A 58 96.889 7.195 -1.285 1.00 0.00 H new ATOM 0 HD11 ILE A 58 96.766 3.291 -1.203 1.00 0.00 H new ATOM 0 HD12 ILE A 58 98.408 3.905 -0.898 1.00 0.00 H new ATOM 0 HD13 ILE A 58 96.993 4.886 -0.447 1.00 0.00 H new ATOM 954 N GLU A 59 99.609 8.639 -3.065 1.00 0.00 N ATOM 955 CA GLU A 59 100.822 9.495 -3.190 1.00 0.00 C ATOM 956 C GLU A 59 101.298 9.895 -1.793 1.00 0.00 C ATOM 957 O GLU A 59 100.507 10.156 -0.908 1.00 0.00 O ATOM 958 CB GLU A 59 100.487 10.748 -4.004 1.00 0.00 C ATOM 959 CG GLU A 59 99.846 11.799 -3.096 1.00 0.00 C ATOM 960 CD GLU A 59 99.048 12.791 -3.943 1.00 0.00 C ATOM 961 OE1 GLU A 59 97.925 12.469 -4.295 1.00 0.00 O ATOM 962 OE2 GLU A 59 99.573 13.855 -4.227 1.00 0.00 O ATOM 0 H GLU A 59 99.047 8.810 -2.231 1.00 0.00 H new ATOM 0 HA GLU A 59 101.611 8.942 -3.700 1.00 0.00 H new ATOM 0 HB2 GLU A 59 101.392 11.150 -4.459 1.00 0.00 H new ATOM 0 HB3 GLU A 59 99.808 10.494 -4.817 1.00 0.00 H new ATOM 0 HG2 GLU A 59 99.192 11.317 -2.370 1.00 0.00 H new ATOM 0 HG3 GLU A 59 100.616 12.325 -2.531 1.00 0.00 H new ATOM 969 N CYS A 60 102.584 9.937 -1.584 1.00 0.00 N ATOM 970 CA CYS A 60 103.104 10.314 -0.238 1.00 0.00 C ATOM 971 C CYS A 60 104.478 10.970 -0.376 1.00 0.00 C ATOM 972 O CYS A 60 105.353 10.467 -1.051 1.00 0.00 O ATOM 973 CB CYS A 60 103.232 9.057 0.625 1.00 0.00 C ATOM 974 SG CYS A 60 101.588 8.467 1.094 1.00 0.00 S ATOM 0 H CYS A 60 103.296 9.728 -2.283 1.00 0.00 H new ATOM 0 HA CYS A 60 102.414 11.017 0.229 1.00 0.00 H new ATOM 0 HB2 CYS A 60 103.764 8.280 0.076 1.00 0.00 H new ATOM 0 HB3 CYS A 60 103.818 9.275 1.517 1.00 0.00 H new ATOM 980 N VAL A 61 104.678 12.085 0.272 1.00 0.00 N ATOM 981 CA VAL A 61 105.998 12.767 0.192 1.00 0.00 C ATOM 982 C VAL A 61 106.866 12.302 1.362 1.00 0.00 C ATOM 983 O VAL A 61 106.367 11.966 2.418 1.00 0.00 O ATOM 984 CB VAL A 61 105.798 14.283 0.269 1.00 0.00 C ATOM 985 CG1 VAL A 61 106.881 14.986 -0.552 1.00 0.00 C ATOM 986 CG2 VAL A 61 104.421 14.644 -0.291 1.00 0.00 C ATOM 0 H VAL A 61 103.983 12.553 0.854 1.00 0.00 H new ATOM 0 HA VAL A 61 106.486 12.520 -0.751 1.00 0.00 H new ATOM 0 HB VAL A 61 105.865 14.604 1.308 1.00 0.00 H new ATOM 0 HG11 VAL A 61 106.737 16.065 -0.496 1.00 0.00 H new ATOM 0 HG12 VAL A 61 107.863 14.730 -0.154 1.00 0.00 H new ATOM 0 HG13 VAL A 61 106.816 14.665 -1.592 1.00 0.00 H new ATOM 0 HG21 VAL A 61 104.278 15.723 -0.237 1.00 0.00 H new ATOM 0 HG22 VAL A 61 104.355 14.321 -1.330 1.00 0.00 H new ATOM 0 HG23 VAL A 61 103.648 14.145 0.294 1.00 0.00 H new ATOM 996 N PHE A 62 108.159 12.274 1.188 1.00 0.00 N ATOM 997 CA PHE A 62 109.043 11.825 2.298 1.00 0.00 C ATOM 998 C PHE A 62 110.238 12.770 2.428 1.00 0.00 C ATOM 999 O PHE A 62 110.499 13.585 1.566 1.00 0.00 O ATOM 1000 CB PHE A 62 109.545 10.407 2.016 1.00 0.00 C ATOM 1001 CG PHE A 62 108.372 9.486 1.777 1.00 0.00 C ATOM 1002 CD1 PHE A 62 107.371 9.357 2.749 1.00 0.00 C ATOM 1003 CD2 PHE A 62 108.287 8.758 0.585 1.00 0.00 C ATOM 1004 CE1 PHE A 62 106.287 8.500 2.526 1.00 0.00 C ATOM 1005 CE2 PHE A 62 107.203 7.902 0.363 1.00 0.00 C ATOM 1006 CZ PHE A 62 106.202 7.773 1.334 1.00 0.00 C ATOM 0 H PHE A 62 108.639 12.542 0.329 1.00 0.00 H new ATOM 0 HA PHE A 62 108.475 11.833 3.228 1.00 0.00 H new ATOM 0 HB2 PHE A 62 110.200 10.410 1.145 1.00 0.00 H new ATOM 0 HB3 PHE A 62 110.136 10.047 2.858 1.00 0.00 H new ATOM 0 HD1 PHE A 62 107.436 9.918 3.669 1.00 0.00 H new ATOM 0 HD2 PHE A 62 109.059 8.857 -0.164 1.00 0.00 H new ATOM 0 HE1 PHE A 62 105.515 8.400 3.275 1.00 0.00 H new ATOM 0 HE2 PHE A 62 107.138 7.341 -0.557 1.00 0.00 H new ATOM 0 HZ PHE A 62 105.365 7.113 1.163 1.00 0.00 H new ATOM 1016 N GLU A 63 110.964 12.662 3.506 1.00 0.00 N ATOM 1017 CA GLU A 63 112.148 13.542 3.711 1.00 0.00 C ATOM 1018 C GLU A 63 113.072 12.897 4.746 1.00 0.00 C ATOM 1019 O GLU A 63 112.706 11.947 5.409 1.00 0.00 O ATOM 1020 CB GLU A 63 111.683 14.912 4.214 1.00 0.00 C ATOM 1021 CG GLU A 63 112.891 15.722 4.687 1.00 0.00 C ATOM 1022 CD GLU A 63 112.501 17.195 4.818 1.00 0.00 C ATOM 1023 OE1 GLU A 63 111.463 17.462 5.401 1.00 0.00 O ATOM 1024 OE2 GLU A 63 113.244 18.031 4.332 1.00 0.00 O ATOM 0 H GLU A 63 110.786 11.997 4.259 1.00 0.00 H new ATOM 0 HA GLU A 63 112.684 13.670 2.771 1.00 0.00 H new ATOM 0 HB2 GLU A 63 111.164 15.446 3.418 1.00 0.00 H new ATOM 0 HB3 GLU A 63 110.973 14.789 5.031 1.00 0.00 H new ATOM 0 HG2 GLU A 63 113.244 15.342 5.646 1.00 0.00 H new ATOM 0 HG3 GLU A 63 113.713 15.615 3.980 1.00 0.00 H new ATOM 1031 N LEU A 64 114.271 13.394 4.886 1.00 0.00 N ATOM 1032 CA LEU A 64 115.212 12.792 5.871 1.00 0.00 C ATOM 1033 C LEU A 64 115.213 13.605 7.168 1.00 0.00 C ATOM 1034 O LEU A 64 115.505 14.784 7.175 1.00 0.00 O ATOM 1035 CB LEU A 64 116.623 12.784 5.281 1.00 0.00 C ATOM 1036 CG LEU A 64 116.584 12.194 3.870 1.00 0.00 C ATOM 1037 CD1 LEU A 64 118.005 12.101 3.316 1.00 0.00 C ATOM 1038 CD2 LEU A 64 115.964 10.796 3.923 1.00 0.00 C ATOM 0 H LEU A 64 114.638 14.189 4.362 1.00 0.00 H new ATOM 0 HA LEU A 64 114.893 11.773 6.090 1.00 0.00 H new ATOM 0 HB2 LEU A 64 117.022 13.798 5.252 1.00 0.00 H new ATOM 0 HB3 LEU A 64 117.290 12.198 5.913 1.00 0.00 H new ATOM 0 HG LEU A 64 115.985 12.835 3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 64 117.977 11.681 2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 64 118.448 13.096 3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 64 118.606 11.459 3.961 1.00 0.00 H new ATOM 0 HD21 LEU A 64 115.935 10.373 2.919 1.00 0.00 H new ATOM 0 HD22 LEU A 64 116.565 10.156 4.569 1.00 0.00 H new ATOM 0 HD23 LEU A 64 114.950 10.862 4.319 1.00 0.00 H new ATOM 1050 N GLY A 65 114.904 12.976 8.271 1.00 0.00 N ATOM 1051 CA GLY A 65 114.906 13.705 9.574 1.00 0.00 C ATOM 1052 C GLY A 65 113.572 14.429 9.786 1.00 0.00 C ATOM 1053 O GLY A 65 113.495 15.396 10.516 1.00 0.00 O ATOM 0 H GLY A 65 114.650 11.990 8.326 1.00 0.00 H new ATOM 0 HA2 GLY A 65 115.079 13.003 10.390 1.00 0.00 H new ATOM 0 HA3 GLY A 65 115.724 14.425 9.593 1.00 0.00 H new ATOM 1057 N VAL A 66 112.521 13.970 9.165 1.00 0.00 N ATOM 1058 CA VAL A 66 111.203 14.638 9.349 1.00 0.00 C ATOM 1059 C VAL A 66 110.094 13.585 9.342 1.00 0.00 C ATOM 1060 O VAL A 66 109.706 13.089 8.305 1.00 0.00 O ATOM 1061 CB VAL A 66 110.970 15.635 8.213 1.00 0.00 C ATOM 1062 CG1 VAL A 66 109.593 16.281 8.374 1.00 0.00 C ATOM 1063 CG2 VAL A 66 112.050 16.718 8.259 1.00 0.00 C ATOM 0 H VAL A 66 112.518 13.164 8.540 1.00 0.00 H new ATOM 0 HA VAL A 66 111.195 15.168 10.301 1.00 0.00 H new ATOM 0 HB VAL A 66 111.016 15.114 7.257 1.00 0.00 H new ATOM 0 HG11 VAL A 66 109.427 16.991 7.564 1.00 0.00 H new ATOM 0 HG12 VAL A 66 108.823 15.510 8.343 1.00 0.00 H new ATOM 0 HG13 VAL A 66 109.545 16.803 9.330 1.00 0.00 H new ATOM 0 HG21 VAL A 66 111.886 17.430 7.450 1.00 0.00 H new ATOM 0 HG22 VAL A 66 112.003 17.238 9.216 1.00 0.00 H new ATOM 0 HG23 VAL A 66 113.032 16.258 8.144 1.00 0.00 H new ATOM 1073 N THR A 67 109.581 13.237 10.492 1.00 0.00 N ATOM 1074 CA THR A 67 108.502 12.213 10.549 1.00 0.00 C ATOM 1075 C THR A 67 107.304 12.672 9.734 1.00 0.00 C ATOM 1076 O THR A 67 106.921 13.825 9.740 1.00 0.00 O ATOM 1077 CB THR A 67 108.066 12.011 11.999 1.00 0.00 C ATOM 1078 OG1 THR A 67 109.158 12.282 12.865 1.00 0.00 O ATOM 1079 CG2 THR A 67 107.593 10.568 12.202 1.00 0.00 C ATOM 0 H THR A 67 109.864 13.619 11.394 1.00 0.00 H new ATOM 0 HA THR A 67 108.883 11.277 10.140 1.00 0.00 H new ATOM 0 HB THR A 67 107.246 12.692 12.226 1.00 0.00 H new ATOM 0 HG1 THR A 67 108.877 12.154 13.795 1.00 0.00 H new ATOM 0 HG21 THR A 67 107.283 10.429 13.238 1.00 0.00 H new ATOM 0 HG22 THR A 67 106.751 10.365 11.541 1.00 0.00 H new ATOM 0 HG23 THR A 67 108.408 9.882 11.972 1.00 0.00 H new ATOM 1087 N PHE A 68 106.699 11.751 9.058 1.00 0.00 N ATOM 1088 CA PHE A 68 105.495 12.068 8.250 1.00 0.00 C ATOM 1089 C PHE A 68 104.605 10.835 8.259 1.00 0.00 C ATOM 1090 O PHE A 68 104.857 9.898 8.990 1.00 0.00 O ATOM 1091 CB PHE A 68 105.880 12.431 6.813 1.00 0.00 C ATOM 1092 CG PHE A 68 107.196 11.794 6.452 1.00 0.00 C ATOM 1093 CD1 PHE A 68 107.285 10.406 6.302 1.00 0.00 C ATOM 1094 CD2 PHE A 68 108.327 12.593 6.257 1.00 0.00 C ATOM 1095 CE1 PHE A 68 108.508 9.817 5.955 1.00 0.00 C ATOM 1096 CE2 PHE A 68 109.548 12.005 5.914 1.00 0.00 C ATOM 1097 CZ PHE A 68 109.637 10.618 5.762 1.00 0.00 C ATOM 0 H PHE A 68 106.990 10.774 9.028 1.00 0.00 H new ATOM 0 HA PHE A 68 104.974 12.927 8.673 1.00 0.00 H new ATOM 0 HB2 PHE A 68 105.104 12.096 6.125 1.00 0.00 H new ATOM 0 HB3 PHE A 68 105.951 13.514 6.710 1.00 0.00 H new ATOM 0 HD1 PHE A 68 106.412 9.789 6.454 1.00 0.00 H new ATOM 0 HD2 PHE A 68 108.257 13.665 6.371 1.00 0.00 H new ATOM 0 HE1 PHE A 68 108.578 8.746 5.837 1.00 0.00 H new ATOM 0 HE2 PHE A 68 110.422 12.622 5.766 1.00 0.00 H new ATOM 0 HZ PHE A 68 110.580 10.165 5.495 1.00 0.00 H new ATOM 1107 N ASN A 69 103.569 10.812 7.475 1.00 0.00 N ATOM 1108 CA ASN A 69 102.688 9.618 7.488 1.00 0.00 C ATOM 1109 C ASN A 69 102.189 9.297 6.081 1.00 0.00 C ATOM 1110 O ASN A 69 102.030 10.162 5.243 1.00 0.00 O ATOM 1111 CB ASN A 69 101.491 9.878 8.404 1.00 0.00 C ATOM 1112 CG ASN A 69 100.687 11.065 7.869 1.00 0.00 C ATOM 1113 OD1 ASN A 69 100.489 12.041 8.565 1.00 0.00 O ATOM 1114 ND2 ASN A 69 100.213 11.022 6.654 1.00 0.00 N ATOM 0 H ASN A 69 103.296 11.557 6.834 1.00 0.00 H new ATOM 0 HA ASN A 69 103.262 8.768 7.857 1.00 0.00 H new ATOM 0 HB2 ASN A 69 100.860 8.991 8.455 1.00 0.00 H new ATOM 0 HB3 ASN A 69 101.834 10.085 9.418 1.00 0.00 H new ATOM 0 HD21 ASN A 69 99.676 11.808 6.288 1.00 0.00 H new ATOM 0 HD22 ASN A 69 100.380 10.202 6.070 1.00 0.00 H new ATOM 1121 N CYS A 70 101.926 8.045 5.835 1.00 0.00 N ATOM 1122 CA CYS A 70 101.417 7.620 4.509 1.00 0.00 C ATOM 1123 C CYS A 70 100.439 6.475 4.741 1.00 0.00 C ATOM 1124 O CYS A 70 100.326 5.972 5.841 1.00 0.00 O ATOM 1125 CB CYS A 70 102.575 7.144 3.630 1.00 0.00 C ATOM 1126 SG CYS A 70 101.941 6.694 1.995 1.00 0.00 S ATOM 0 H CYS A 70 102.045 7.289 6.509 1.00 0.00 H new ATOM 0 HA CYS A 70 100.926 8.451 4.003 1.00 0.00 H new ATOM 0 HB2 CYS A 70 103.324 7.931 3.538 1.00 0.00 H new ATOM 0 HB3 CYS A 70 103.067 6.287 4.090 1.00 0.00 H new ATOM 1132 N ASN A 71 99.722 6.056 3.738 1.00 0.00 N ATOM 1133 CA ASN A 71 98.756 4.946 3.956 1.00 0.00 C ATOM 1134 C ASN A 71 99.005 3.820 2.956 1.00 0.00 C ATOM 1135 O ASN A 71 99.301 4.049 1.800 1.00 0.00 O ATOM 1136 CB ASN A 71 97.327 5.470 3.791 1.00 0.00 C ATOM 1137 CG ASN A 71 97.293 6.515 2.674 1.00 0.00 C ATOM 1138 OD1 ASN A 71 97.878 7.573 2.796 1.00 0.00 O ATOM 1139 ND2 ASN A 71 96.625 6.262 1.581 1.00 0.00 N ATOM 0 H ASN A 71 99.761 6.428 2.789 1.00 0.00 H new ATOM 0 HA ASN A 71 98.890 4.557 4.965 1.00 0.00 H new ATOM 0 HB2 ASN A 71 96.652 4.648 3.555 1.00 0.00 H new ATOM 0 HB3 ASN A 71 96.979 5.910 4.726 1.00 0.00 H new ATOM 0 HD21 ASN A 71 96.595 6.952 0.831 1.00 0.00 H new ATOM 0 HD22 ASN A 71 96.134 5.374 1.478 1.00 0.00 H new ATOM 1146 N LEU A 72 98.881 2.599 3.400 1.00 0.00 N ATOM 1147 CA LEU A 72 99.103 1.445 2.484 1.00 0.00 C ATOM 1148 C LEU A 72 97.766 1.015 1.876 1.00 0.00 C ATOM 1149 O LEU A 72 96.728 1.107 2.506 1.00 0.00 O ATOM 1150 CB LEU A 72 99.706 0.277 3.268 1.00 0.00 C ATOM 1151 CG LEU A 72 101.028 0.713 3.903 1.00 0.00 C ATOM 1152 CD1 LEU A 72 101.350 -0.197 5.089 1.00 0.00 C ATOM 1153 CD2 LEU A 72 102.149 0.612 2.865 1.00 0.00 C ATOM 0 H LEU A 72 98.635 2.351 4.358 1.00 0.00 H new ATOM 0 HA LEU A 72 99.788 1.739 1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 72 99.011 -0.053 4.040 1.00 0.00 H new ATOM 0 HB3 LEU A 72 99.872 -0.572 2.605 1.00 0.00 H new ATOM 0 HG LEU A 72 100.942 1.743 4.249 1.00 0.00 H new ATOM 0 HD11 LEU A 72 102.292 0.114 5.541 1.00 0.00 H new ATOM 0 HD12 LEU A 72 100.552 -0.127 5.828 1.00 0.00 H new ATOM 0 HD13 LEU A 72 101.436 -1.227 4.744 1.00 0.00 H new ATOM 0 HD21 LEU A 72 103.092 0.922 3.316 1.00 0.00 H new ATOM 0 HD22 LEU A 72 102.234 -0.419 2.520 1.00 0.00 H new ATOM 0 HD23 LEU A 72 101.921 1.260 2.019 1.00 0.00 H new ATOM 1165 N ALA A 73 97.786 0.546 0.657 1.00 0.00 N ATOM 1166 CA ALA A 73 96.523 0.109 -0.004 1.00 0.00 C ATOM 1167 C ALA A 73 95.651 -0.652 0.995 1.00 0.00 C ATOM 1168 O ALA A 73 94.440 -0.654 0.900 1.00 0.00 O ATOM 1169 CB ALA A 73 96.857 -0.804 -1.186 1.00 0.00 C ATOM 0 H ALA A 73 98.627 0.447 0.088 1.00 0.00 H new ATOM 0 HA ALA A 73 95.981 0.986 -0.359 1.00 0.00 H new ATOM 0 HB1 ALA A 73 95.935 -1.124 -1.670 1.00 0.00 H new ATOM 0 HB2 ALA A 73 97.473 -0.261 -1.902 1.00 0.00 H new ATOM 0 HB3 ALA A 73 97.401 -1.678 -0.828 1.00 0.00 H new ATOM 1175 N ASP A 74 96.255 -1.296 1.955 1.00 0.00 N ATOM 1176 CA ASP A 74 95.455 -2.052 2.958 1.00 0.00 C ATOM 1177 C ASP A 74 94.659 -1.067 3.815 1.00 0.00 C ATOM 1178 O ASP A 74 94.195 -1.395 4.888 1.00 0.00 O ATOM 1179 CB ASP A 74 96.393 -2.864 3.852 1.00 0.00 C ATOM 1180 CG ASP A 74 96.930 -4.066 3.072 1.00 0.00 C ATOM 1181 OD1 ASP A 74 97.596 -4.890 3.676 1.00 0.00 O ATOM 1182 OD2 ASP A 74 96.667 -4.139 1.883 1.00 0.00 O ATOM 0 H ASP A 74 97.266 -1.331 2.088 1.00 0.00 H new ATOM 0 HA ASP A 74 94.770 -2.727 2.445 1.00 0.00 H new ATOM 0 HB2 ASP A 74 97.219 -2.240 4.192 1.00 0.00 H new ATOM 0 HB3 ASP A 74 95.862 -3.202 4.742 1.00 0.00 H new ATOM 1187 N GLY A 75 94.502 0.143 3.350 1.00 0.00 N ATOM 1188 CA GLY A 75 93.740 1.150 4.138 1.00 0.00 C ATOM 1189 C GLY A 75 94.445 1.377 5.476 1.00 0.00 C ATOM 1190 O GLY A 75 93.827 1.723 6.463 1.00 0.00 O ATOM 0 H GLY A 75 94.869 0.476 2.459 1.00 0.00 H new ATOM 0 HA2 GLY A 75 93.672 2.087 3.585 1.00 0.00 H new ATOM 0 HA3 GLY A 75 92.720 0.804 4.305 1.00 0.00 H new ATOM 1194 N THR A 76 95.735 1.180 5.515 1.00 0.00 N ATOM 1195 CA THR A 76 96.483 1.377 6.780 1.00 0.00 C ATOM 1196 C THR A 76 97.170 2.741 6.756 1.00 0.00 C ATOM 1197 O THR A 76 97.340 3.340 5.716 1.00 0.00 O ATOM 1198 CB THR A 76 97.537 0.284 6.923 1.00 0.00 C ATOM 1199 OG1 THR A 76 97.251 -0.772 6.015 1.00 0.00 O ATOM 1200 CG2 THR A 76 97.536 -0.256 8.355 1.00 0.00 C ATOM 0 H THR A 76 96.302 0.890 4.718 1.00 0.00 H new ATOM 0 HA THR A 76 95.792 1.330 7.622 1.00 0.00 H new ATOM 0 HB THR A 76 98.519 0.701 6.699 1.00 0.00 H new ATOM 0 HG1 THR A 76 97.986 -1.420 6.025 1.00 0.00 H new ATOM 0 HG21 THR A 76 98.291 -1.036 8.450 1.00 0.00 H new ATOM 0 HG22 THR A 76 97.761 0.554 9.049 1.00 0.00 H new ATOM 0 HG23 THR A 76 96.555 -0.670 8.587 1.00 0.00 H new ATOM 1208 N GLU A 77 97.562 3.228 7.897 1.00 0.00 N ATOM 1209 CA GLU A 77 98.244 4.550 7.957 1.00 0.00 C ATOM 1210 C GLU A 77 99.493 4.438 8.835 1.00 0.00 C ATOM 1211 O GLU A 77 99.405 4.163 10.014 1.00 0.00 O ATOM 1212 CB GLU A 77 97.292 5.591 8.552 1.00 0.00 C ATOM 1213 CG GLU A 77 97.957 6.966 8.520 1.00 0.00 C ATOM 1214 CD GLU A 77 96.940 8.036 8.919 1.00 0.00 C ATOM 1215 OE1 GLU A 77 95.963 7.686 9.560 1.00 0.00 O ATOM 1216 OE2 GLU A 77 97.154 9.187 8.577 1.00 0.00 O ATOM 0 H GLU A 77 97.439 2.765 8.797 1.00 0.00 H new ATOM 0 HA GLU A 77 98.532 4.857 6.951 1.00 0.00 H new ATOM 0 HB2 GLU A 77 96.360 5.613 7.987 1.00 0.00 H new ATOM 0 HB3 GLU A 77 97.037 5.322 9.577 1.00 0.00 H new ATOM 0 HG2 GLU A 77 98.807 6.986 9.201 1.00 0.00 H new ATOM 0 HG3 GLU A 77 98.344 7.171 7.522 1.00 0.00 H new ATOM 1223 N LEU A 78 100.659 4.636 8.272 1.00 0.00 N ATOM 1224 CA LEU A 78 101.908 4.524 9.090 1.00 0.00 C ATOM 1225 C LEU A 78 102.672 5.855 9.085 1.00 0.00 C ATOM 1226 O LEU A 78 102.610 6.614 8.139 1.00 0.00 O ATOM 1227 CB LEU A 78 102.816 3.428 8.515 1.00 0.00 C ATOM 1228 CG LEU A 78 102.122 2.710 7.351 1.00 0.00 C ATOM 1229 CD1 LEU A 78 100.810 2.078 7.832 1.00 0.00 C ATOM 1230 CD2 LEU A 78 101.846 3.708 6.218 1.00 0.00 C ATOM 0 H LEU A 78 100.801 4.869 7.289 1.00 0.00 H new ATOM 0 HA LEU A 78 101.626 4.272 10.112 1.00 0.00 H new ATOM 0 HB2 LEU A 78 103.753 3.867 8.172 1.00 0.00 H new ATOM 0 HB3 LEU A 78 103.067 2.709 9.295 1.00 0.00 H new ATOM 0 HG LEU A 78 102.774 1.920 6.977 1.00 0.00 H new ATOM 0 HD11 LEU A 78 100.324 1.570 6.999 1.00 0.00 H new ATOM 0 HD12 LEU A 78 101.021 1.358 8.622 1.00 0.00 H new ATOM 0 HD13 LEU A 78 100.151 2.856 8.217 1.00 0.00 H new ATOM 0 HD21 LEU A 78 101.353 3.194 5.393 1.00 0.00 H new ATOM 0 HD22 LEU A 78 101.201 4.506 6.585 1.00 0.00 H new ATOM 0 HD23 LEU A 78 102.788 4.133 5.870 1.00 0.00 H new ATOM 1242 N ARG A 79 103.403 6.133 10.137 1.00 0.00 N ATOM 1243 CA ARG A 79 104.184 7.405 10.197 1.00 0.00 C ATOM 1244 C ARG A 79 105.583 7.131 10.755 1.00 0.00 C ATOM 1245 O ARG A 79 105.752 6.346 11.668 1.00 0.00 O ATOM 1246 CB ARG A 79 103.459 8.408 11.098 1.00 0.00 C ATOM 1247 CG ARG A 79 103.628 7.999 12.564 1.00 0.00 C ATOM 1248 CD ARG A 79 102.740 8.878 13.452 1.00 0.00 C ATOM 1249 NE ARG A 79 102.129 9.962 12.631 1.00 0.00 N ATOM 1250 CZ ARG A 79 101.018 10.526 13.018 1.00 0.00 C ATOM 1251 NH1 ARG A 79 100.482 11.475 12.301 1.00 0.00 N ATOM 1252 NH2 ARG A 79 100.441 10.140 14.124 1.00 0.00 N ATOM 0 H ARG A 79 103.492 5.533 10.957 1.00 0.00 H new ATOM 0 HA ARG A 79 104.275 7.818 9.192 1.00 0.00 H new ATOM 0 HB2 ARG A 79 103.860 9.409 10.941 1.00 0.00 H new ATOM 0 HB3 ARG A 79 102.401 8.445 10.840 1.00 0.00 H new ATOM 0 HG2 ARG A 79 103.361 6.950 12.692 1.00 0.00 H new ATOM 0 HG3 ARG A 79 104.671 8.101 12.862 1.00 0.00 H new ATOM 0 HD2 ARG A 79 101.959 8.274 13.914 1.00 0.00 H new ATOM 0 HD3 ARG A 79 103.330 9.309 14.261 1.00 0.00 H new ATOM 0 HE ARG A 79 102.580 10.263 11.767 1.00 0.00 H new ATOM 0 HH11 ARG A 79 100.932 11.777 11.437 1.00 0.00 H new ATOM 0 HH12 ARG A 79 99.613 11.915 12.605 1.00 0.00 H new ATOM 0 HH21 ARG A 79 100.859 9.398 14.685 1.00 0.00 H new ATOM 0 HH22 ARG A 79 99.572 10.581 14.427 1.00 0.00 H new ATOM 1266 N GLY A 80 106.593 7.771 10.215 1.00 0.00 N ATOM 1267 CA GLY A 80 107.966 7.551 10.712 1.00 0.00 C ATOM 1268 C GLY A 80 108.923 8.307 9.798 1.00 0.00 C ATOM 1269 O GLY A 80 108.855 9.512 9.685 1.00 0.00 O ATOM 0 H GLY A 80 106.513 8.438 9.447 1.00 0.00 H new ATOM 0 HA2 GLY A 80 108.061 7.904 11.739 1.00 0.00 H new ATOM 0 HA3 GLY A 80 108.204 6.487 10.717 1.00 0.00 H new ATOM 1273 N THR A 81 109.795 7.616 9.126 1.00 0.00 N ATOM 1274 CA THR A 81 110.742 8.320 8.210 1.00 0.00 C ATOM 1275 C THR A 81 111.784 7.346 7.665 1.00 0.00 C ATOM 1276 O THR A 81 112.047 6.309 8.241 1.00 0.00 O ATOM 1277 CB THR A 81 111.462 9.440 8.976 1.00 0.00 C ATOM 1278 OG1 THR A 81 111.066 9.416 10.340 1.00 0.00 O ATOM 1279 CG2 THR A 81 111.107 10.795 8.366 1.00 0.00 C ATOM 0 H THR A 81 109.897 6.602 9.167 1.00 0.00 H new ATOM 0 HA THR A 81 110.173 8.738 7.380 1.00 0.00 H new ATOM 0 HB THR A 81 112.539 9.285 8.908 1.00 0.00 H new ATOM 0 HG1 THR A 81 110.249 9.946 10.453 1.00 0.00 H new ATOM 0 HG21 THR A 81 111.620 11.586 8.913 1.00 0.00 H new ATOM 0 HG22 THR A 81 111.417 10.816 7.321 1.00 0.00 H new ATOM 0 HG23 THR A 81 110.030 10.951 8.428 1.00 0.00 H new ATOM 1287 N TRP A 82 112.396 7.691 6.565 1.00 0.00 N ATOM 1288 CA TRP A 82 113.443 6.804 5.986 1.00 0.00 C ATOM 1289 C TRP A 82 114.819 7.368 6.331 1.00 0.00 C ATOM 1290 O TRP A 82 115.025 8.565 6.347 1.00 0.00 O ATOM 1291 CB TRP A 82 113.304 6.733 4.464 1.00 0.00 C ATOM 1292 CG TRP A 82 111.868 6.585 4.093 1.00 0.00 C ATOM 1293 CD1 TRP A 82 110.973 7.593 4.057 1.00 0.00 C ATOM 1294 CD2 TRP A 82 111.150 5.382 3.696 1.00 0.00 C ATOM 1295 NE1 TRP A 82 109.745 7.090 3.674 1.00 0.00 N ATOM 1296 CE2 TRP A 82 109.803 5.728 3.437 1.00 0.00 C ATOM 1297 CE3 TRP A 82 111.533 4.038 3.542 1.00 0.00 C ATOM 1298 CZ2 TRP A 82 108.868 4.771 3.036 1.00 0.00 C ATOM 1299 CZ3 TRP A 82 110.598 3.074 3.138 1.00 0.00 C ATOM 1300 CH2 TRP A 82 109.267 3.439 2.885 1.00 0.00 C ATOM 0 H TRP A 82 112.216 8.549 6.043 1.00 0.00 H new ATOM 0 HA TRP A 82 113.326 5.803 6.400 1.00 0.00 H new ATOM 0 HB2 TRP A 82 113.715 7.635 4.010 1.00 0.00 H new ATOM 0 HB3 TRP A 82 113.878 5.891 4.076 1.00 0.00 H new ATOM 0 HD1 TRP A 82 111.183 8.627 4.290 1.00 0.00 H new ATOM 0 HE1 TRP A 82 108.900 7.653 3.578 1.00 0.00 H new ATOM 0 HE3 TRP A 82 112.554 3.746 3.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 107.845 5.057 2.844 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 110.904 2.045 3.021 1.00 0.00 H new ATOM 0 HH2 TRP A 82 108.551 2.692 2.574 1.00 0.00 H new ATOM 1311 N SER A 83 115.764 6.515 6.604 1.00 0.00 N ATOM 1312 CA SER A 83 117.129 7.000 6.946 1.00 0.00 C ATOM 1313 C SER A 83 118.144 6.107 6.245 1.00 0.00 C ATOM 1314 O SER A 83 117.847 4.991 5.892 1.00 0.00 O ATOM 1315 CB SER A 83 117.334 6.928 8.460 1.00 0.00 C ATOM 1316 OG SER A 83 116.910 8.150 9.050 1.00 0.00 O ATOM 0 H SER A 83 115.651 5.501 6.605 1.00 0.00 H new ATOM 0 HA SER A 83 117.255 8.033 6.623 1.00 0.00 H new ATOM 0 HB2 SER A 83 116.768 6.094 8.876 1.00 0.00 H new ATOM 0 HB3 SER A 83 118.384 6.746 8.688 1.00 0.00 H new ATOM 0 HG SER A 83 117.038 8.107 10.021 1.00 0.00 H new ATOM 1322 N LEU A 84 119.334 6.570 6.021 1.00 0.00 N ATOM 1323 CA LEU A 84 120.318 5.702 5.344 1.00 0.00 C ATOM 1324 C LEU A 84 121.182 5.030 6.417 1.00 0.00 C ATOM 1325 O LEU A 84 121.744 5.681 7.276 1.00 0.00 O ATOM 1326 CB LEU A 84 121.175 6.550 4.394 1.00 0.00 C ATOM 1327 CG LEU A 84 122.644 6.154 4.516 1.00 0.00 C ATOM 1328 CD1 LEU A 84 122.841 4.736 3.972 1.00 0.00 C ATOM 1329 CD2 LEU A 84 123.505 7.133 3.716 1.00 0.00 C ATOM 0 H LEU A 84 119.664 7.501 6.275 1.00 0.00 H new ATOM 0 HA LEU A 84 119.819 4.934 4.753 1.00 0.00 H new ATOM 0 HB2 LEU A 84 120.838 6.412 3.367 1.00 0.00 H new ATOM 0 HB3 LEU A 84 121.055 7.607 4.630 1.00 0.00 H new ATOM 0 HG LEU A 84 122.940 6.183 5.565 1.00 0.00 H new ATOM 0 HD11 LEU A 84 123.891 4.455 4.060 1.00 0.00 H new ATOM 0 HD12 LEU A 84 122.229 4.038 4.544 1.00 0.00 H new ATOM 0 HD13 LEU A 84 122.543 4.704 2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 84 124.554 6.850 3.803 1.00 0.00 H new ATOM 0 HD22 LEU A 84 123.208 7.106 2.668 1.00 0.00 H new ATOM 0 HD23 LEU A 84 123.367 8.141 4.106 1.00 0.00 H new ATOM 1341 N GLU A 85 121.288 3.734 6.373 1.00 0.00 N ATOM 1342 CA GLU A 85 122.109 3.010 7.376 1.00 0.00 C ATOM 1343 C GLU A 85 123.095 2.110 6.636 1.00 0.00 C ATOM 1344 O GLU A 85 122.709 1.184 5.949 1.00 0.00 O ATOM 1345 CB GLU A 85 121.204 2.160 8.269 1.00 0.00 C ATOM 1346 CG GLU A 85 120.760 2.987 9.477 1.00 0.00 C ATOM 1347 CD GLU A 85 121.905 3.068 10.488 1.00 0.00 C ATOM 1348 OE1 GLU A 85 121.870 2.322 11.453 1.00 0.00 O ATOM 1349 OE2 GLU A 85 122.797 3.874 10.280 1.00 0.00 O ATOM 0 H GLU A 85 120.836 3.140 5.678 1.00 0.00 H new ATOM 0 HA GLU A 85 122.649 3.722 8.000 1.00 0.00 H new ATOM 0 HB2 GLU A 85 120.334 1.822 7.707 1.00 0.00 H new ATOM 0 HB3 GLU A 85 121.736 1.268 8.601 1.00 0.00 H new ATOM 0 HG2 GLU A 85 120.470 3.988 9.159 1.00 0.00 H new ATOM 0 HG3 GLU A 85 119.884 2.533 9.940 1.00 0.00 H new ATOM 1356 N GLY A 86 124.362 2.380 6.754 1.00 0.00 N ATOM 1357 CA GLY A 86 125.358 1.544 6.038 1.00 0.00 C ATOM 1358 C GLY A 86 125.132 1.692 4.533 1.00 0.00 C ATOM 1359 O GLY A 86 125.448 2.709 3.948 1.00 0.00 O ATOM 0 H GLY A 86 124.749 3.140 7.313 1.00 0.00 H new ATOM 0 HA2 GLY A 86 126.370 1.854 6.300 1.00 0.00 H new ATOM 0 HA3 GLY A 86 125.258 0.500 6.334 1.00 0.00 H new ATOM 1363 N ASN A 87 124.587 0.688 3.901 1.00 0.00 N ATOM 1364 CA ASN A 87 124.341 0.776 2.433 1.00 0.00 C ATOM 1365 C ASN A 87 122.869 0.494 2.120 1.00 0.00 C ATOM 1366 O ASN A 87 122.552 -0.085 1.100 1.00 0.00 O ATOM 1367 CB ASN A 87 125.219 -0.246 1.709 1.00 0.00 C ATOM 1368 CG ASN A 87 125.347 0.141 0.235 1.00 0.00 C ATOM 1369 OD1 ASN A 87 124.749 1.103 -0.206 1.00 0.00 O ATOM 1370 ND2 ASN A 87 126.105 -0.572 -0.551 1.00 0.00 N ATOM 0 H ASN A 87 124.302 -0.189 4.337 1.00 0.00 H new ATOM 0 HA ASN A 87 124.587 1.782 2.094 1.00 0.00 H new ATOM 0 HB2 ASN A 87 126.205 -0.286 2.172 1.00 0.00 H new ATOM 0 HB3 ASN A 87 124.784 -1.242 1.798 1.00 0.00 H new ATOM 0 HD21 ASN A 87 126.196 -0.322 -1.536 1.00 0.00 H new ATOM 0 HD22 ASN A 87 126.607 -1.379 -0.181 1.00 0.00 H new ATOM 1377 N LYS A 88 121.960 0.884 2.976 1.00 0.00 N ATOM 1378 CA LYS A 88 120.525 0.609 2.685 1.00 0.00 C ATOM 1379 C LYS A 88 119.652 1.758 3.188 1.00 0.00 C ATOM 1380 O LYS A 88 119.976 2.424 4.151 1.00 0.00 O ATOM 1381 CB LYS A 88 120.109 -0.687 3.384 1.00 0.00 C ATOM 1382 CG LYS A 88 120.082 -0.466 4.901 1.00 0.00 C ATOM 1383 CD LYS A 88 120.609 -1.716 5.611 1.00 0.00 C ATOM 1384 CE LYS A 88 122.139 -1.701 5.605 1.00 0.00 C ATOM 1385 NZ LYS A 88 122.649 -3.100 5.689 1.00 0.00 N ATOM 0 H LYS A 88 122.147 1.374 3.851 1.00 0.00 H new ATOM 0 HA LYS A 88 120.393 0.511 1.607 1.00 0.00 H new ATOM 0 HB2 LYS A 88 119.126 -1.001 3.034 1.00 0.00 H new ATOM 0 HB3 LYS A 88 120.807 -1.487 3.135 1.00 0.00 H new ATOM 0 HG2 LYS A 88 120.692 0.398 5.164 1.00 0.00 H new ATOM 0 HG3 LYS A 88 119.065 -0.250 5.229 1.00 0.00 H new ATOM 0 HD2 LYS A 88 120.239 -1.748 6.636 1.00 0.00 H new ATOM 0 HD3 LYS A 88 120.242 -2.613 5.112 1.00 0.00 H new ATOM 0 HE2 LYS A 88 122.505 -1.223 4.697 1.00 0.00 H new ATOM 0 HE3 LYS A 88 122.511 -1.116 6.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 123.689 -3.091 5.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 122.310 -3.541 6.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 122.304 -3.645 4.873 1.00 0.00 H new ATOM 1399 N LEU A 89 118.536 1.987 2.547 1.00 0.00 N ATOM 1400 CA LEU A 89 117.631 3.081 2.991 1.00 0.00 C ATOM 1401 C LEU A 89 116.574 2.487 3.921 1.00 0.00 C ATOM 1402 O LEU A 89 115.715 1.739 3.502 1.00 0.00 O ATOM 1403 CB LEU A 89 116.951 3.713 1.773 1.00 0.00 C ATOM 1404 CG LEU A 89 117.814 4.862 1.240 1.00 0.00 C ATOM 1405 CD1 LEU A 89 117.258 5.332 -0.106 1.00 0.00 C ATOM 1406 CD2 LEU A 89 117.795 6.028 2.236 1.00 0.00 C ATOM 0 H LEU A 89 118.214 1.461 1.734 1.00 0.00 H new ATOM 0 HA LEU A 89 118.200 3.849 3.515 1.00 0.00 H new ATOM 0 HB2 LEU A 89 116.806 2.963 0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 89 115.963 4.084 2.047 1.00 0.00 H new ATOM 0 HG LEU A 89 118.839 4.515 1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 89 117.870 6.149 -0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 89 117.275 4.505 -0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 89 116.232 5.677 0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 89 118.410 6.843 1.854 1.00 0.00 H new ATOM 0 HD22 LEU A 89 116.771 6.377 2.368 1.00 0.00 H new ATOM 0 HD23 LEU A 89 118.191 5.694 3.195 1.00 0.00 H new ATOM 1418 N ILE A 90 116.639 2.797 5.185 1.00 0.00 N ATOM 1419 CA ILE A 90 115.649 2.229 6.138 1.00 0.00 C ATOM 1420 C ILE A 90 114.337 3.003 6.071 1.00 0.00 C ATOM 1421 O ILE A 90 114.262 4.092 5.540 1.00 0.00 O ATOM 1422 CB ILE A 90 116.190 2.272 7.559 1.00 0.00 C ATOM 1423 CG1 ILE A 90 117.104 3.471 7.728 1.00 0.00 C ATOM 1424 CG2 ILE A 90 116.976 0.993 7.847 1.00 0.00 C ATOM 1425 CD1 ILE A 90 117.424 3.628 9.204 1.00 0.00 C ATOM 0 H ILE A 90 117.334 3.418 5.598 1.00 0.00 H new ATOM 0 HA ILE A 90 115.467 1.192 5.856 1.00 0.00 H new ATOM 0 HB ILE A 90 115.355 2.354 8.255 1.00 0.00 H new ATOM 0 HG12 ILE A 90 118.020 3.333 7.154 1.00 0.00 H new ATOM 0 HG13 ILE A 90 116.622 4.371 7.347 1.00 0.00 H new ATOM 0 HG21 ILE A 90 117.363 1.025 8.865 1.00 0.00 H new ATOM 0 HG22 ILE A 90 116.320 0.130 7.735 1.00 0.00 H new ATOM 0 HG23 ILE A 90 117.806 0.911 7.146 1.00 0.00 H new ATOM 0 HD11 ILE A 90 118.081 4.486 9.345 1.00 0.00 H new ATOM 0 HD12 ILE A 90 116.501 3.783 9.762 1.00 0.00 H new ATOM 0 HD13 ILE A 90 117.920 2.728 9.566 1.00 0.00 H new ATOM 1437 N GLY A 91 113.307 2.426 6.614 1.00 0.00 N ATOM 1438 CA GLY A 91 111.969 3.076 6.618 1.00 0.00 C ATOM 1439 C GLY A 91 111.247 2.683 7.904 1.00 0.00 C ATOM 1440 O GLY A 91 110.636 1.637 7.994 1.00 0.00 O ATOM 0 H GLY A 91 113.335 1.512 7.065 1.00 0.00 H new ATOM 0 HA2 GLY A 91 112.073 4.159 6.557 1.00 0.00 H new ATOM 0 HA3 GLY A 91 111.392 2.762 5.748 1.00 0.00 H new ATOM 1444 N LYS A 92 111.319 3.508 8.901 1.00 0.00 N ATOM 1445 CA LYS A 92 110.644 3.183 10.186 1.00 0.00 C ATOM 1446 C LYS A 92 109.199 3.659 10.112 1.00 0.00 C ATOM 1447 O LYS A 92 108.930 4.836 10.149 1.00 0.00 O ATOM 1448 CB LYS A 92 111.365 3.884 11.340 1.00 0.00 C ATOM 1449 CG LYS A 92 111.149 5.395 11.238 1.00 0.00 C ATOM 1450 CD LYS A 92 112.351 6.128 11.839 1.00 0.00 C ATOM 1451 CE LYS A 92 112.502 5.741 13.311 1.00 0.00 C ATOM 1452 NZ LYS A 92 113.594 6.547 13.927 1.00 0.00 N ATOM 0 H LYS A 92 111.817 4.398 8.885 1.00 0.00 H new ATOM 0 HA LYS A 92 110.670 2.107 10.359 1.00 0.00 H new ATOM 0 HB2 LYS A 92 110.988 3.516 12.294 1.00 0.00 H new ATOM 0 HB3 LYS A 92 112.430 3.656 11.309 1.00 0.00 H new ATOM 0 HG2 LYS A 92 111.018 5.684 10.195 1.00 0.00 H new ATOM 0 HG3 LYS A 92 110.237 5.678 11.764 1.00 0.00 H new ATOM 0 HD2 LYS A 92 113.257 5.873 11.290 1.00 0.00 H new ATOM 0 HD3 LYS A 92 112.216 7.206 11.748 1.00 0.00 H new ATOM 0 HE2 LYS A 92 111.565 5.913 13.841 1.00 0.00 H new ATOM 0 HE3 LYS A 92 112.727 4.678 13.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 113.697 6.284 14.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 114.487 6.362 13.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 113.361 7.558 13.857 1.00 0.00 H new ATOM 1466 N PHE A 93 108.270 2.753 9.990 1.00 0.00 N ATOM 1467 CA PHE A 93 106.840 3.155 9.891 1.00 0.00 C ATOM 1468 C PHE A 93 106.057 2.610 11.076 1.00 0.00 C ATOM 1469 O PHE A 93 106.259 1.496 11.521 1.00 0.00 O ATOM 1470 CB PHE A 93 106.253 2.609 8.584 1.00 0.00 C ATOM 1471 CG PHE A 93 106.432 3.611 7.458 1.00 0.00 C ATOM 1472 CD1 PHE A 93 107.108 4.823 7.676 1.00 0.00 C ATOM 1473 CD2 PHE A 93 105.927 3.318 6.185 1.00 0.00 C ATOM 1474 CE1 PHE A 93 107.274 5.733 6.627 1.00 0.00 C ATOM 1475 CE2 PHE A 93 106.092 4.232 5.137 1.00 0.00 C ATOM 1476 CZ PHE A 93 106.765 5.439 5.358 1.00 0.00 C ATOM 0 H PHE A 93 108.440 1.748 9.954 1.00 0.00 H new ATOM 0 HA PHE A 93 106.770 4.243 9.899 1.00 0.00 H new ATOM 0 HB2 PHE A 93 106.742 1.670 8.324 1.00 0.00 H new ATOM 0 HB3 PHE A 93 105.194 2.390 8.718 1.00 0.00 H new ATOM 0 HD1 PHE A 93 107.500 5.053 8.656 1.00 0.00 H new ATOM 0 HD2 PHE A 93 105.410 2.386 6.011 1.00 0.00 H new ATOM 0 HE1 PHE A 93 107.796 6.663 6.797 1.00 0.00 H new ATOM 0 HE2 PHE A 93 105.699 4.005 4.157 1.00 0.00 H new ATOM 0 HZ PHE A 93 106.891 6.143 4.549 1.00 0.00 H new ATOM 1486 N LYS A 94 105.158 3.403 11.587 1.00 0.00 N ATOM 1487 CA LYS A 94 104.342 2.962 12.748 1.00 0.00 C ATOM 1488 C LYS A 94 102.859 3.101 12.423 1.00 0.00 C ATOM 1489 O LYS A 94 102.342 4.190 12.273 1.00 0.00 O ATOM 1490 CB LYS A 94 104.664 3.824 13.964 1.00 0.00 C ATOM 1491 CG LYS A 94 105.985 3.370 14.581 1.00 0.00 C ATOM 1492 CD LYS A 94 106.371 4.327 15.706 1.00 0.00 C ATOM 1493 CE LYS A 94 107.798 4.030 16.169 1.00 0.00 C ATOM 1494 NZ LYS A 94 107.788 2.851 17.082 1.00 0.00 N ATOM 0 H LYS A 94 104.953 4.343 11.247 1.00 0.00 H new ATOM 0 HA LYS A 94 104.574 1.919 12.964 1.00 0.00 H new ATOM 0 HB2 LYS A 94 104.729 4.872 13.672 1.00 0.00 H new ATOM 0 HB3 LYS A 94 103.863 3.747 14.699 1.00 0.00 H new ATOM 0 HG2 LYS A 94 105.889 2.355 14.968 1.00 0.00 H new ATOM 0 HG3 LYS A 94 106.766 3.349 13.821 1.00 0.00 H new ATOM 0 HD2 LYS A 94 106.298 5.358 15.360 1.00 0.00 H new ATOM 0 HD3 LYS A 94 105.678 4.221 16.541 1.00 0.00 H new ATOM 0 HE2 LYS A 94 108.437 3.832 15.309 1.00 0.00 H new ATOM 0 HE3 LYS A 94 108.213 4.897 16.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 108.758 2.648 17.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 107.191 3.057 17.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 107.408 2.025 16.578 1.00 0.00 H new ATOM 1508 N ARG A 95 102.168 2.004 12.329 1.00 0.00 N ATOM 1509 CA ARG A 95 100.713 2.066 12.032 1.00 0.00 C ATOM 1510 C ARG A 95 100.054 3.031 13.014 1.00 0.00 C ATOM 1511 O ARG A 95 100.025 2.798 14.204 1.00 0.00 O ATOM 1512 CB ARG A 95 100.093 0.673 12.184 1.00 0.00 C ATOM 1513 CG ARG A 95 100.160 -0.071 10.848 1.00 0.00 C ATOM 1514 CD ARG A 95 99.345 -1.362 10.940 1.00 0.00 C ATOM 1515 NE ARG A 95 97.892 -1.033 10.943 1.00 0.00 N ATOM 1516 CZ ARG A 95 97.007 -1.982 10.804 1.00 0.00 C ATOM 1517 NH1 ARG A 95 95.735 -1.693 10.808 1.00 0.00 N ATOM 1518 NH2 ARG A 95 97.395 -3.220 10.660 1.00 0.00 N ATOM 0 H ARG A 95 102.548 1.065 12.445 1.00 0.00 H new ATOM 0 HA ARG A 95 100.558 2.412 11.010 1.00 0.00 H new ATOM 0 HB2 ARG A 95 100.624 0.110 12.952 1.00 0.00 H new ATOM 0 HB3 ARG A 95 99.057 0.759 12.511 1.00 0.00 H new ATOM 0 HG2 ARG A 95 99.772 0.560 10.049 1.00 0.00 H new ATOM 0 HG3 ARG A 95 101.196 -0.300 10.599 1.00 0.00 H new ATOM 0 HD2 ARG A 95 99.580 -2.013 10.098 1.00 0.00 H new ATOM 0 HD3 ARG A 95 99.607 -1.906 11.847 1.00 0.00 H new ATOM 0 HE ARG A 95 97.589 -0.065 11.054 1.00 0.00 H new ATOM 0 HH11 ARG A 95 95.432 -0.725 10.920 1.00 0.00 H new ATOM 0 HH12 ARG A 95 95.043 -2.435 10.699 1.00 0.00 H new ATOM 0 HH21 ARG A 95 98.390 -3.446 10.656 1.00 0.00 H new ATOM 0 HH22 ARG A 95 96.703 -3.962 10.551 1.00 0.00 H new ATOM 1532 N THR A 96 99.535 4.119 12.528 1.00 0.00 N ATOM 1533 CA THR A 96 98.893 5.102 13.439 1.00 0.00 C ATOM 1534 C THR A 96 97.602 4.523 13.985 1.00 0.00 C ATOM 1535 O THR A 96 97.016 5.016 14.928 1.00 0.00 O ATOM 1536 CB THR A 96 98.594 6.378 12.661 1.00 0.00 C ATOM 1537 OG1 THR A 96 98.430 6.058 11.286 1.00 0.00 O ATOM 1538 CG2 THR A 96 99.753 7.361 12.821 1.00 0.00 C ATOM 0 H THR A 96 99.527 4.371 11.540 1.00 0.00 H new ATOM 0 HA THR A 96 99.562 5.326 14.269 1.00 0.00 H new ATOM 0 HB THR A 96 97.681 6.834 13.044 1.00 0.00 H new ATOM 0 HG1 THR A 96 99.282 5.740 10.920 1.00 0.00 H new ATOM 0 HG21 THR A 96 99.537 8.272 12.264 1.00 0.00 H new ATOM 0 HG22 THR A 96 99.882 7.603 13.876 1.00 0.00 H new ATOM 0 HG23 THR A 96 100.668 6.910 12.438 1.00 0.00 H new ATOM 1546 N ASP A 97 97.176 3.482 13.382 1.00 0.00 N ATOM 1547 CA ASP A 97 95.918 2.809 13.812 1.00 0.00 C ATOM 1548 C ASP A 97 96.185 1.957 15.053 1.00 0.00 C ATOM 1549 O ASP A 97 95.459 2.018 16.026 1.00 0.00 O ATOM 1550 CB ASP A 97 95.407 1.914 12.680 1.00 0.00 C ATOM 1551 CG ASP A 97 93.950 1.533 12.948 1.00 0.00 C ATOM 1552 OD1 ASP A 97 93.088 2.364 12.711 1.00 0.00 O ATOM 1553 OD2 ASP A 97 93.721 0.418 13.387 1.00 0.00 O ATOM 0 H ASP A 97 97.645 3.045 12.588 1.00 0.00 H new ATOM 0 HA ASP A 97 95.168 3.564 14.049 1.00 0.00 H new ATOM 0 HB2 ASP A 97 95.488 2.435 11.726 1.00 0.00 H new ATOM 0 HB3 ASP A 97 96.021 1.016 12.607 1.00 0.00 H new ATOM 1558 N ASN A 98 97.217 1.160 15.027 1.00 0.00 N ATOM 1559 CA ASN A 98 97.526 0.299 16.204 1.00 0.00 C ATOM 1560 C ASN A 98 99.012 0.403 16.558 1.00 0.00 C ATOM 1561 O ASN A 98 99.520 -0.357 17.360 1.00 0.00 O ATOM 1562 CB ASN A 98 97.184 -1.156 15.873 1.00 0.00 C ATOM 1563 CG ASN A 98 95.708 -1.256 15.481 1.00 0.00 C ATOM 1564 OD1 ASN A 98 95.388 -1.509 14.337 1.00 0.00 O ATOM 1565 ND2 ASN A 98 94.790 -1.069 16.389 1.00 0.00 N ATOM 0 H ASN A 98 97.861 1.067 14.241 1.00 0.00 H new ATOM 0 HA ASN A 98 96.933 0.634 17.055 1.00 0.00 H new ATOM 0 HB2 ASN A 98 97.813 -1.512 15.057 1.00 0.00 H new ATOM 0 HB3 ASN A 98 97.387 -1.793 16.734 1.00 0.00 H new ATOM 0 HD21 ASN A 98 93.804 -1.135 16.138 1.00 0.00 H new ATOM 0 HD22 ASN A 98 95.059 -0.857 17.350 1.00 0.00 H new ATOM 1572 N GLY A 99 99.717 1.333 15.974 1.00 0.00 N ATOM 1573 CA GLY A 99 101.169 1.472 16.291 1.00 0.00 C ATOM 1574 C GLY A 99 101.823 0.089 16.307 1.00 0.00 C ATOM 1575 O GLY A 99 102.667 -0.199 17.133 1.00 0.00 O ATOM 0 H GLY A 99 99.354 2.001 15.294 1.00 0.00 H new ATOM 0 HA2 GLY A 99 101.655 2.107 15.550 1.00 0.00 H new ATOM 0 HA3 GLY A 99 101.296 1.957 17.259 1.00 0.00 H new ATOM 1579 N ASN A 100 101.444 -0.769 15.400 1.00 0.00 N ATOM 1580 CA ASN A 100 102.048 -2.132 15.366 1.00 0.00 C ATOM 1581 C ASN A 100 103.459 -2.047 14.791 1.00 0.00 C ATOM 1582 O ASN A 100 104.029 -3.025 14.354 1.00 0.00 O ATOM 1583 CB ASN A 100 101.195 -3.048 14.493 1.00 0.00 C ATOM 1584 CG ASN A 100 100.095 -3.689 15.342 1.00 0.00 C ATOM 1585 OD1 ASN A 100 98.962 -3.788 14.915 1.00 0.00 O ATOM 1586 ND2 ASN A 100 100.384 -4.134 16.534 1.00 0.00 N ATOM 0 H ASN A 100 100.743 -0.586 14.682 1.00 0.00 H new ATOM 0 HA ASN A 100 102.091 -2.536 16.378 1.00 0.00 H new ATOM 0 HB2 ASN A 100 100.752 -2.479 13.676 1.00 0.00 H new ATOM 0 HB3 ASN A 100 101.818 -3.821 14.043 1.00 0.00 H new ATOM 0 HD21 ASN A 100 99.659 -4.565 17.107 1.00 0.00 H new ATOM 0 HD22 ASN A 100 101.335 -4.051 16.893 1.00 0.00 H new ATOM 1593 N GLU A 101 104.012 -0.873 14.804 1.00 0.00 N ATOM 1594 CA GLU A 101 105.395 -0.654 14.280 1.00 0.00 C ATOM 1595 C GLU A 101 105.610 -1.393 12.953 1.00 0.00 C ATOM 1596 O GLU A 101 104.894 -2.308 12.602 1.00 0.00 O ATOM 1597 CB GLU A 101 106.425 -1.128 15.314 1.00 0.00 C ATOM 1598 CG GLU A 101 106.469 -2.657 15.366 1.00 0.00 C ATOM 1599 CD GLU A 101 107.697 -3.102 16.163 1.00 0.00 C ATOM 1600 OE1 GLU A 101 108.403 -2.239 16.656 1.00 0.00 O ATOM 1601 OE2 GLU A 101 107.909 -4.300 16.266 1.00 0.00 O ATOM 0 H GLU A 101 103.558 -0.033 15.163 1.00 0.00 H new ATOM 0 HA GLU A 101 105.524 0.413 14.099 1.00 0.00 H new ATOM 0 HB2 GLU A 101 107.411 -0.739 15.059 1.00 0.00 H new ATOM 0 HB3 GLU A 101 106.171 -0.732 16.297 1.00 0.00 H new ATOM 0 HG2 GLU A 101 105.561 -3.043 15.830 1.00 0.00 H new ATOM 0 HG3 GLU A 101 106.509 -3.065 14.356 1.00 0.00 H new ATOM 1608 N LEU A 102 106.609 -0.990 12.218 1.00 0.00 N ATOM 1609 CA LEU A 102 106.915 -1.645 10.918 1.00 0.00 C ATOM 1610 C LEU A 102 108.355 -1.294 10.543 1.00 0.00 C ATOM 1611 O LEU A 102 108.715 -0.137 10.466 1.00 0.00 O ATOM 1612 CB LEU A 102 105.958 -1.131 9.839 1.00 0.00 C ATOM 1613 CG LEU A 102 106.130 -1.958 8.561 1.00 0.00 C ATOM 1614 CD1 LEU A 102 104.980 -1.658 7.598 1.00 0.00 C ATOM 1615 CD2 LEU A 102 107.463 -1.606 7.889 1.00 0.00 C ATOM 0 H LEU A 102 107.234 -0.224 12.468 1.00 0.00 H new ATOM 0 HA LEU A 102 106.796 -2.725 11.000 1.00 0.00 H new ATOM 0 HB2 LEU A 102 104.928 -1.197 10.191 1.00 0.00 H new ATOM 0 HB3 LEU A 102 106.158 -0.079 9.633 1.00 0.00 H new ATOM 0 HG LEU A 102 106.124 -3.017 8.817 1.00 0.00 H new ATOM 0 HD11 LEU A 102 105.103 -2.247 6.689 1.00 0.00 H new ATOM 0 HD12 LEU A 102 104.033 -1.915 8.071 1.00 0.00 H new ATOM 0 HD13 LEU A 102 104.983 -0.597 7.346 1.00 0.00 H new ATOM 0 HD21 LEU A 102 107.580 -2.197 6.981 1.00 0.00 H new ATOM 0 HD22 LEU A 102 107.474 -0.546 7.636 1.00 0.00 H new ATOM 0 HD23 LEU A 102 108.284 -1.824 8.572 1.00 0.00 H new ATOM 1627 N ASN A 103 109.186 -2.275 10.319 1.00 0.00 N ATOM 1628 CA ASN A 103 110.602 -1.977 9.964 1.00 0.00 C ATOM 1629 C ASN A 103 110.853 -2.392 8.519 1.00 0.00 C ATOM 1630 O ASN A 103 110.800 -3.557 8.184 1.00 0.00 O ATOM 1631 CB ASN A 103 111.540 -2.748 10.900 1.00 0.00 C ATOM 1632 CG ASN A 103 112.157 -1.788 11.919 1.00 0.00 C ATOM 1633 OD1 ASN A 103 111.877 -1.871 13.099 1.00 0.00 O ATOM 1634 ND2 ASN A 103 112.992 -0.872 11.511 1.00 0.00 N ATOM 0 H ASN A 103 108.947 -3.265 10.366 1.00 0.00 H new ATOM 0 HA ASN A 103 110.792 -0.909 10.073 1.00 0.00 H new ATOM 0 HB2 ASN A 103 110.989 -3.535 11.415 1.00 0.00 H new ATOM 0 HB3 ASN A 103 112.326 -3.235 10.323 1.00 0.00 H new ATOM 0 HD21 ASN A 103 113.409 -0.227 12.182 1.00 0.00 H new ATOM 0 HD22 ASN A 103 113.228 -0.801 10.521 1.00 0.00 H new ATOM 1641 N THR A 104 111.113 -1.451 7.653 1.00 0.00 N ATOM 1642 CA THR A 104 111.341 -1.805 6.229 1.00 0.00 C ATOM 1643 C THR A 104 112.688 -1.271 5.742 1.00 0.00 C ATOM 1644 O THR A 104 113.396 -0.580 6.448 1.00 0.00 O ATOM 1645 CB THR A 104 110.229 -1.192 5.377 1.00 0.00 C ATOM 1646 OG1 THR A 104 110.555 -1.329 4.001 1.00 0.00 O ATOM 1647 CG2 THR A 104 110.090 0.290 5.727 1.00 0.00 C ATOM 0 H THR A 104 111.177 -0.457 7.872 1.00 0.00 H new ATOM 0 HA THR A 104 111.341 -2.891 6.138 1.00 0.00 H new ATOM 0 HB THR A 104 109.288 -1.705 5.575 1.00 0.00 H new ATOM 0 HG1 THR A 104 110.656 -2.279 3.782 1.00 0.00 H new ATOM 0 HG21 THR A 104 109.299 0.734 5.123 1.00 0.00 H new ATOM 0 HG22 THR A 104 109.841 0.393 6.783 1.00 0.00 H new ATOM 0 HG23 THR A 104 111.031 0.801 5.525 1.00 0.00 H new ATOM 1655 N VAL A 105 113.030 -1.591 4.524 1.00 0.00 N ATOM 1656 CA VAL A 105 114.317 -1.118 3.946 1.00 0.00 C ATOM 1657 C VAL A 105 114.150 -0.951 2.433 1.00 0.00 C ATOM 1658 O VAL A 105 113.308 -1.582 1.825 1.00 0.00 O ATOM 1659 CB VAL A 105 115.414 -2.144 4.233 1.00 0.00 C ATOM 1660 CG1 VAL A 105 116.745 -1.642 3.671 1.00 0.00 C ATOM 1661 CG2 VAL A 105 115.543 -2.343 5.745 1.00 0.00 C ATOM 0 H VAL A 105 112.465 -2.166 3.899 1.00 0.00 H new ATOM 0 HA VAL A 105 114.595 -0.164 4.393 1.00 0.00 H new ATOM 0 HB VAL A 105 115.155 -3.092 3.761 1.00 0.00 H new ATOM 0 HG11 VAL A 105 117.526 -2.374 3.876 1.00 0.00 H new ATOM 0 HG12 VAL A 105 116.655 -1.500 2.594 1.00 0.00 H new ATOM 0 HG13 VAL A 105 117.004 -0.694 4.142 1.00 0.00 H new ATOM 0 HG21 VAL A 105 116.325 -3.074 5.950 1.00 0.00 H new ATOM 0 HG22 VAL A 105 115.801 -1.394 6.216 1.00 0.00 H new ATOM 0 HG23 VAL A 105 114.596 -2.702 6.147 1.00 0.00 H new ATOM 1671 N ARG A 106 114.935 -0.105 1.821 1.00 0.00 N ATOM 1672 CA ARG A 106 114.803 0.100 0.349 1.00 0.00 C ATOM 1673 C ARG A 106 116.163 -0.089 -0.330 1.00 0.00 C ATOM 1674 O ARG A 106 117.177 0.387 0.141 1.00 0.00 O ATOM 1675 CB ARG A 106 114.292 1.516 0.077 1.00 0.00 C ATOM 1676 CG ARG A 106 112.767 1.539 0.183 1.00 0.00 C ATOM 1677 CD ARG A 106 112.264 2.975 0.035 1.00 0.00 C ATOM 1678 NE ARG A 106 112.744 3.539 -1.259 1.00 0.00 N ATOM 1679 CZ ARG A 106 112.221 4.639 -1.726 1.00 0.00 C ATOM 1680 NH1 ARG A 106 112.642 5.133 -2.859 1.00 0.00 N ATOM 1681 NH2 ARG A 106 111.276 5.246 -1.061 1.00 0.00 N ATOM 0 H ARG A 106 115.660 0.451 2.275 1.00 0.00 H new ATOM 0 HA ARG A 106 114.099 -0.629 -0.052 1.00 0.00 H new ATOM 0 HB2 ARG A 106 114.727 2.214 0.792 1.00 0.00 H new ATOM 0 HB3 ARG A 106 114.603 1.841 -0.916 1.00 0.00 H new ATOM 0 HG2 ARG A 106 112.329 0.908 -0.591 1.00 0.00 H new ATOM 0 HG3 ARG A 106 112.453 1.130 1.143 1.00 0.00 H new ATOM 0 HD2 ARG A 106 111.175 2.996 0.071 1.00 0.00 H new ATOM 0 HD3 ARG A 106 112.622 3.584 0.865 1.00 0.00 H new ATOM 0 HE ARG A 106 113.482 3.064 -1.779 1.00 0.00 H new ATOM 0 HH11 ARG A 106 113.380 4.659 -3.379 1.00 0.00 H new ATOM 0 HH12 ARG A 106 112.233 5.993 -3.224 1.00 0.00 H new ATOM 0 HH21 ARG A 106 110.946 4.860 -0.176 1.00 0.00 H new ATOM 0 HH22 ARG A 106 110.867 6.106 -1.426 1.00 0.00 H new ATOM 1695 N GLU A 107 116.184 -0.782 -1.440 1.00 0.00 N ATOM 1696 CA GLU A 107 117.468 -1.005 -2.164 1.00 0.00 C ATOM 1697 C GLU A 107 117.233 -0.801 -3.664 1.00 0.00 C ATOM 1698 O GLU A 107 116.118 -0.885 -4.139 1.00 0.00 O ATOM 1699 CB GLU A 107 117.961 -2.431 -1.909 1.00 0.00 C ATOM 1700 CG GLU A 107 118.759 -2.468 -0.604 1.00 0.00 C ATOM 1701 CD GLU A 107 119.381 -3.854 -0.424 1.00 0.00 C ATOM 1702 OE1 GLU A 107 118.650 -4.827 -0.516 1.00 0.00 O ATOM 1703 OE2 GLU A 107 120.578 -3.919 -0.198 1.00 0.00 O ATOM 0 H GLU A 107 115.364 -1.203 -1.876 1.00 0.00 H new ATOM 0 HA GLU A 107 118.220 -0.300 -1.809 1.00 0.00 H new ATOM 0 HB2 GLU A 107 117.114 -3.115 -1.850 1.00 0.00 H new ATOM 0 HB3 GLU A 107 118.584 -2.766 -2.738 1.00 0.00 H new ATOM 0 HG2 GLU A 107 119.539 -1.707 -0.621 1.00 0.00 H new ATOM 0 HG3 GLU A 107 118.108 -2.238 0.239 1.00 0.00 H new ATOM 1710 N ILE A 108 118.269 -0.530 -4.415 1.00 0.00 N ATOM 1711 CA ILE A 108 118.099 -0.319 -5.866 1.00 0.00 C ATOM 1712 C ILE A 108 118.954 -1.338 -6.602 1.00 0.00 C ATOM 1713 O ILE A 108 120.058 -1.053 -7.023 1.00 0.00 O ATOM 1714 CB ILE A 108 118.572 1.081 -6.226 1.00 0.00 C ATOM 1715 CG1 ILE A 108 117.920 2.109 -5.288 1.00 0.00 C ATOM 1716 CG2 ILE A 108 118.194 1.368 -7.674 1.00 0.00 C ATOM 1717 CD1 ILE A 108 116.699 2.741 -5.961 1.00 0.00 C ATOM 0 H ILE A 108 119.227 -0.447 -4.075 1.00 0.00 H new ATOM 0 HA ILE A 108 117.051 -0.433 -6.144 1.00 0.00 H new ATOM 0 HB ILE A 108 119.654 1.151 -6.112 1.00 0.00 H new ATOM 0 HG12 ILE A 108 117.622 1.625 -4.358 1.00 0.00 H new ATOM 0 HG13 ILE A 108 118.642 2.883 -5.027 1.00 0.00 H new ATOM 0 HG21 ILE A 108 118.528 2.370 -7.945 1.00 0.00 H new ATOM 0 HG22 ILE A 108 118.672 0.637 -8.326 1.00 0.00 H new ATOM 0 HG23 ILE A 108 117.112 1.303 -7.787 1.00 0.00 H new ATOM 0 HD11 ILE A 108 116.247 3.467 -5.286 1.00 0.00 H new ATOM 0 HD12 ILE A 108 117.008 3.242 -6.879 1.00 0.00 H new ATOM 0 HD13 ILE A 108 115.972 1.964 -6.199 1.00 0.00 H new ATOM 1729 N ILE A 109 118.458 -2.524 -6.755 1.00 0.00 N ATOM 1730 CA ILE A 109 119.254 -3.560 -7.459 1.00 0.00 C ATOM 1731 C ILE A 109 119.472 -3.115 -8.902 1.00 0.00 C ATOM 1732 O ILE A 109 118.676 -3.384 -9.780 1.00 0.00 O ATOM 1733 CB ILE A 109 118.506 -4.897 -7.435 1.00 0.00 C ATOM 1734 CG1 ILE A 109 118.703 -5.560 -6.068 1.00 0.00 C ATOM 1735 CG2 ILE A 109 119.057 -5.815 -8.531 1.00 0.00 C ATOM 1736 CD1 ILE A 109 117.844 -6.824 -5.982 1.00 0.00 C ATOM 0 H ILE A 109 117.540 -2.823 -6.426 1.00 0.00 H new ATOM 0 HA ILE A 109 120.216 -3.688 -6.962 1.00 0.00 H new ATOM 0 HB ILE A 109 117.444 -4.724 -7.610 1.00 0.00 H new ATOM 0 HG12 ILE A 109 119.754 -5.811 -5.923 1.00 0.00 H new ATOM 0 HG13 ILE A 109 118.428 -4.867 -5.273 1.00 0.00 H new ATOM 0 HG21 ILE A 109 118.523 -6.765 -8.512 1.00 0.00 H new ATOM 0 HG22 ILE A 109 118.922 -5.342 -9.504 1.00 0.00 H new ATOM 0 HG23 ILE A 109 120.119 -5.991 -8.358 1.00 0.00 H new ATOM 0 HD11 ILE A 109 117.985 -7.294 -5.009 1.00 0.00 H new ATOM 0 HD12 ILE A 109 116.794 -6.560 -6.108 1.00 0.00 H new ATOM 0 HD13 ILE A 109 118.140 -7.519 -6.768 1.00 0.00 H new ATOM 1748 N GLY A 110 120.555 -2.438 -9.151 1.00 0.00 N ATOM 1749 CA GLY A 110 120.845 -1.973 -10.537 1.00 0.00 C ATOM 1750 C GLY A 110 119.674 -1.142 -11.070 1.00 0.00 C ATOM 1751 O GLY A 110 119.711 0.073 -11.055 1.00 0.00 O ATOM 0 H GLY A 110 121.255 -2.185 -8.454 1.00 0.00 H new ATOM 0 HA2 GLY A 110 121.757 -1.377 -10.545 1.00 0.00 H new ATOM 0 HA3 GLY A 110 121.018 -2.830 -11.188 1.00 0.00 H new ATOM 1755 N ASP A 111 118.641 -1.782 -11.553 1.00 0.00 N ATOM 1756 CA ASP A 111 117.478 -1.024 -12.098 1.00 0.00 C ATOM 1757 C ASP A 111 116.177 -1.536 -11.479 1.00 0.00 C ATOM 1758 O ASP A 111 115.124 -1.474 -12.082 1.00 0.00 O ATOM 1759 CB ASP A 111 117.424 -1.195 -13.618 1.00 0.00 C ATOM 1760 CG ASP A 111 118.392 -0.211 -14.277 1.00 0.00 C ATOM 1761 OD1 ASP A 111 119.500 -0.080 -13.784 1.00 0.00 O ATOM 1762 OD2 ASP A 111 118.008 0.396 -15.263 1.00 0.00 O ATOM 0 H ASP A 111 118.553 -2.797 -11.593 1.00 0.00 H new ATOM 0 HA ASP A 111 117.596 0.031 -11.852 1.00 0.00 H new ATOM 0 HB2 ASP A 111 117.687 -2.217 -13.889 1.00 0.00 H new ATOM 0 HB3 ASP A 111 116.410 -1.021 -13.978 1.00 0.00 H new ATOM 1767 N GLU A 112 116.238 -2.032 -10.276 1.00 0.00 N ATOM 1768 CA GLU A 112 115.008 -2.540 -9.608 1.00 0.00 C ATOM 1769 C GLU A 112 114.961 -1.991 -8.181 1.00 0.00 C ATOM 1770 O GLU A 112 115.978 -1.876 -7.526 1.00 0.00 O ATOM 1771 CB GLU A 112 115.036 -4.071 -9.574 1.00 0.00 C ATOM 1772 CG GLU A 112 115.809 -4.595 -10.784 1.00 0.00 C ATOM 1773 CD GLU A 112 115.447 -6.063 -11.025 1.00 0.00 C ATOM 1774 OE1 GLU A 112 115.352 -6.795 -10.055 1.00 0.00 O ATOM 1775 OE2 GLU A 112 115.270 -6.427 -12.176 1.00 0.00 O ATOM 0 H GLU A 112 117.092 -2.108 -9.723 1.00 0.00 H new ATOM 0 HA GLU A 112 114.125 -2.215 -10.158 1.00 0.00 H new ATOM 0 HB2 GLU A 112 115.505 -4.416 -8.653 1.00 0.00 H new ATOM 0 HB3 GLU A 112 114.019 -4.464 -9.581 1.00 0.00 H new ATOM 0 HG2 GLU A 112 115.570 -4.001 -11.666 1.00 0.00 H new ATOM 0 HG3 GLU A 112 116.881 -4.497 -10.614 1.00 0.00 H new ATOM 1782 N LEU A 113 113.799 -1.649 -7.685 1.00 0.00 N ATOM 1783 CA LEU A 113 113.732 -1.110 -6.293 1.00 0.00 C ATOM 1784 C LEU A 113 113.211 -2.194 -5.359 1.00 0.00 C ATOM 1785 O LEU A 113 112.058 -2.570 -5.412 1.00 0.00 O ATOM 1786 CB LEU A 113 112.798 0.102 -6.251 1.00 0.00 C ATOM 1787 CG LEU A 113 112.799 0.721 -4.851 1.00 0.00 C ATOM 1788 CD1 LEU A 113 114.008 1.645 -4.701 1.00 0.00 C ATOM 1789 CD2 LEU A 113 111.515 1.532 -4.660 1.00 0.00 C ATOM 0 H LEU A 113 112.907 -1.718 -8.174 1.00 0.00 H new ATOM 0 HA LEU A 113 114.728 -0.802 -5.974 1.00 0.00 H new ATOM 0 HB2 LEU A 113 113.118 0.842 -6.984 1.00 0.00 H new ATOM 0 HB3 LEU A 113 111.786 -0.200 -6.523 1.00 0.00 H new ATOM 0 HG LEU A 113 112.852 -0.069 -4.102 1.00 0.00 H new ATOM 0 HD11 LEU A 113 114.008 2.085 -3.704 1.00 0.00 H new ATOM 0 HD12 LEU A 113 114.924 1.072 -4.845 1.00 0.00 H new ATOM 0 HD13 LEU A 113 113.955 2.437 -5.448 1.00 0.00 H new ATOM 0 HD21 LEU A 113 111.510 1.976 -3.664 1.00 0.00 H new ATOM 0 HD22 LEU A 113 111.469 2.322 -5.410 1.00 0.00 H new ATOM 0 HD23 LEU A 113 110.651 0.877 -4.770 1.00 0.00 H new ATOM 1801 N VAL A 114 114.051 -2.703 -4.501 1.00 0.00 N ATOM 1802 CA VAL A 114 113.597 -3.766 -3.568 1.00 0.00 C ATOM 1803 C VAL A 114 113.205 -3.135 -2.237 1.00 0.00 C ATOM 1804 O VAL A 114 114.039 -2.668 -1.488 1.00 0.00 O ATOM 1805 CB VAL A 114 114.725 -4.774 -3.343 1.00 0.00 C ATOM 1806 CG1 VAL A 114 114.183 -5.981 -2.576 1.00 0.00 C ATOM 1807 CG2 VAL A 114 115.279 -5.233 -4.695 1.00 0.00 C ATOM 0 H VAL A 114 115.029 -2.428 -4.407 1.00 0.00 H new ATOM 0 HA VAL A 114 112.737 -4.281 -3.997 1.00 0.00 H new ATOM 0 HB VAL A 114 115.522 -4.305 -2.766 1.00 0.00 H new ATOM 0 HG11 VAL A 114 114.986 -6.700 -2.415 1.00 0.00 H new ATOM 0 HG12 VAL A 114 113.790 -5.654 -1.613 1.00 0.00 H new ATOM 0 HG13 VAL A 114 113.386 -6.450 -3.152 1.00 0.00 H new ATOM 0 HG21 VAL A 114 116.083 -5.951 -4.534 1.00 0.00 H new ATOM 0 HG22 VAL A 114 114.484 -5.702 -5.274 1.00 0.00 H new ATOM 0 HG23 VAL A 114 115.666 -4.372 -5.241 1.00 0.00 H new ATOM 1817 N GLN A 115 111.938 -3.128 -1.932 1.00 0.00 N ATOM 1818 CA GLN A 115 111.487 -2.540 -0.647 1.00 0.00 C ATOM 1819 C GLN A 115 111.048 -3.675 0.269 1.00 0.00 C ATOM 1820 O GLN A 115 110.018 -4.286 0.066 1.00 0.00 O ATOM 1821 CB GLN A 115 110.309 -1.596 -0.899 1.00 0.00 C ATOM 1822 CG GLN A 115 110.003 -0.805 0.376 1.00 0.00 C ATOM 1823 CD GLN A 115 109.181 0.435 0.021 1.00 0.00 C ATOM 1824 OE1 GLN A 115 109.599 1.247 -0.780 1.00 0.00 O ATOM 1825 NE2 GLN A 115 108.020 0.617 0.589 1.00 0.00 N ATOM 0 H GLN A 115 111.196 -3.506 -2.521 1.00 0.00 H new ATOM 0 HA GLN A 115 112.297 -1.976 -0.185 1.00 0.00 H new ATOM 0 HB2 GLN A 115 110.545 -0.913 -1.715 1.00 0.00 H new ATOM 0 HB3 GLN A 115 109.432 -2.166 -1.205 1.00 0.00 H new ATOM 0 HG2 GLN A 115 109.454 -1.429 1.081 1.00 0.00 H new ATOM 0 HG3 GLN A 115 110.931 -0.511 0.866 1.00 0.00 H new ATOM 0 HE21 GLN A 115 107.669 -0.065 1.262 1.00 0.00 H new ATOM 0 HE22 GLN A 115 107.464 1.441 0.360 1.00 0.00 H new ATOM 1834 N THR A 116 111.827 -3.980 1.267 1.00 0.00 N ATOM 1835 CA THR A 116 111.453 -5.090 2.180 1.00 0.00 C ATOM 1836 C THR A 116 110.855 -4.525 3.460 1.00 0.00 C ATOM 1837 O THR A 116 111.274 -3.498 3.954 1.00 0.00 O ATOM 1838 CB THR A 116 112.694 -5.912 2.530 1.00 0.00 C ATOM 1839 OG1 THR A 116 113.627 -5.840 1.461 1.00 0.00 O ATOM 1840 CG2 THR A 116 112.296 -7.370 2.768 1.00 0.00 C ATOM 0 H THR A 116 112.704 -3.509 1.489 1.00 0.00 H new ATOM 0 HA THR A 116 110.720 -5.725 1.682 1.00 0.00 H new ATOM 0 HB THR A 116 113.149 -5.512 3.436 1.00 0.00 H new ATOM 0 HG1 THR A 116 114.423 -6.365 1.686 1.00 0.00 H new ATOM 0 HG21 THR A 116 113.183 -7.953 3.017 1.00 0.00 H new ATOM 0 HG22 THR A 116 111.584 -7.423 3.591 1.00 0.00 H new ATOM 0 HG23 THR A 116 111.838 -7.774 1.865 1.00 0.00 H new ATOM 1848 N TYR A 117 109.894 -5.203 4.010 1.00 0.00 N ATOM 1849 CA TYR A 117 109.279 -4.725 5.279 1.00 0.00 C ATOM 1850 C TYR A 117 109.392 -5.813 6.327 1.00 0.00 C ATOM 1851 O TYR A 117 109.417 -6.986 6.029 1.00 0.00 O ATOM 1852 CB TYR A 117 107.796 -4.387 5.098 1.00 0.00 C ATOM 1853 CG TYR A 117 107.579 -3.730 3.770 1.00 0.00 C ATOM 1854 CD1 TYR A 117 107.818 -4.456 2.614 1.00 0.00 C ATOM 1855 CD2 TYR A 117 107.133 -2.407 3.697 1.00 0.00 C ATOM 1856 CE1 TYR A 117 107.614 -3.866 1.363 1.00 0.00 C ATOM 1857 CE2 TYR A 117 106.927 -1.809 2.450 1.00 0.00 C ATOM 1858 CZ TYR A 117 107.168 -2.540 1.279 1.00 0.00 C ATOM 1859 OH TYR A 117 106.965 -1.955 0.045 1.00 0.00 O ATOM 0 H TYR A 117 109.505 -6.069 3.638 1.00 0.00 H new ATOM 0 HA TYR A 117 109.808 -3.823 5.586 1.00 0.00 H new ATOM 0 HB2 TYR A 117 107.197 -5.295 5.166 1.00 0.00 H new ATOM 0 HB3 TYR A 117 107.465 -3.726 5.899 1.00 0.00 H new ATOM 0 HD1 TYR A 117 108.162 -5.478 2.679 1.00 0.00 H new ATOM 0 HD2 TYR A 117 106.948 -1.848 4.602 1.00 0.00 H new ATOM 0 HE1 TYR A 117 107.800 -4.432 0.462 1.00 0.00 H new ATOM 0 HE2 TYR A 117 106.583 -0.787 2.389 1.00 0.00 H new ATOM 0 HH TYR A 117 106.252 -1.286 0.114 1.00 0.00 H new ATOM 1869 N VAL A 118 109.429 -5.418 7.552 1.00 0.00 N ATOM 1870 CA VAL A 118 109.507 -6.400 8.668 1.00 0.00 C ATOM 1871 C VAL A 118 108.318 -6.181 9.571 1.00 0.00 C ATOM 1872 O VAL A 118 107.833 -5.076 9.728 1.00 0.00 O ATOM 1873 CB VAL A 118 110.771 -6.201 9.494 1.00 0.00 C ATOM 1874 CG1 VAL A 118 110.964 -7.399 10.429 1.00 0.00 C ATOM 1875 CG2 VAL A 118 111.986 -6.068 8.575 1.00 0.00 C ATOM 0 H VAL A 118 109.409 -4.441 7.843 1.00 0.00 H new ATOM 0 HA VAL A 118 109.518 -7.406 8.248 1.00 0.00 H new ATOM 0 HB VAL A 118 110.671 -5.289 10.083 1.00 0.00 H new ATOM 0 HG11 VAL A 118 111.869 -7.257 11.020 1.00 0.00 H new ATOM 0 HG12 VAL A 118 110.105 -7.483 11.095 1.00 0.00 H new ATOM 0 HG13 VAL A 118 111.056 -8.310 9.838 1.00 0.00 H new ATOM 0 HG21 VAL A 118 112.884 -5.926 9.177 1.00 0.00 H new ATOM 0 HG22 VAL A 118 112.090 -6.973 7.976 1.00 0.00 H new ATOM 0 HG23 VAL A 118 111.852 -5.210 7.916 1.00 0.00 H new ATOM 1885 N TYR A 119 107.842 -7.220 10.163 1.00 0.00 N ATOM 1886 CA TYR A 119 106.673 -7.067 11.059 1.00 0.00 C ATOM 1887 C TYR A 119 106.769 -8.019 12.251 1.00 0.00 C ATOM 1888 O TYR A 119 106.636 -9.220 12.126 1.00 0.00 O ATOM 1889 CB TYR A 119 105.396 -7.347 10.268 1.00 0.00 C ATOM 1890 CG TYR A 119 104.334 -6.363 10.679 1.00 0.00 C ATOM 1891 CD1 TYR A 119 103.617 -6.580 11.853 1.00 0.00 C ATOM 1892 CD2 TYR A 119 104.063 -5.242 9.886 1.00 0.00 C ATOM 1893 CE1 TYR A 119 102.622 -5.676 12.243 1.00 0.00 C ATOM 1894 CE2 TYR A 119 103.071 -4.335 10.274 1.00 0.00 C ATOM 1895 CZ TYR A 119 102.348 -4.553 11.453 1.00 0.00 C ATOM 1896 OH TYR A 119 101.368 -3.661 11.835 1.00 0.00 O ATOM 0 H TYR A 119 108.205 -8.169 10.070 1.00 0.00 H new ATOM 0 HA TYR A 119 106.654 -6.047 11.444 1.00 0.00 H new ATOM 0 HB2 TYR A 119 105.591 -7.265 9.199 1.00 0.00 H new ATOM 0 HB3 TYR A 119 105.056 -8.366 10.452 1.00 0.00 H new ATOM 0 HD1 TYR A 119 103.829 -7.446 12.463 1.00 0.00 H new ATOM 0 HD2 TYR A 119 104.619 -5.077 8.975 1.00 0.00 H new ATOM 0 HE1 TYR A 119 102.066 -5.845 13.153 1.00 0.00 H new ATOM 0 HE2 TYR A 119 102.863 -3.468 9.665 1.00 0.00 H new ATOM 0 HH TYR A 119 101.598 -2.764 11.513 1.00 0.00 H new ATOM 1906 N GLU A 120 106.982 -7.464 13.409 1.00 0.00 N ATOM 1907 CA GLU A 120 107.068 -8.280 14.656 1.00 0.00 C ATOM 1908 C GLU A 120 108.003 -9.467 14.470 1.00 0.00 C ATOM 1909 O GLU A 120 107.969 -10.421 15.223 1.00 0.00 O ATOM 1910 CB GLU A 120 105.674 -8.782 15.037 1.00 0.00 C ATOM 1911 CG GLU A 120 104.887 -7.648 15.700 1.00 0.00 C ATOM 1912 CD GLU A 120 103.558 -8.191 16.228 1.00 0.00 C ATOM 1913 OE1 GLU A 120 103.350 -9.390 16.133 1.00 0.00 O ATOM 1914 OE2 GLU A 120 102.772 -7.399 16.721 1.00 0.00 O ATOM 0 H GLU A 120 107.103 -6.461 13.549 1.00 0.00 H new ATOM 0 HA GLU A 120 107.466 -7.650 15.451 1.00 0.00 H new ATOM 0 HB2 GLU A 120 105.148 -9.134 14.150 1.00 0.00 H new ATOM 0 HB3 GLU A 120 105.754 -9.630 15.718 1.00 0.00 H new ATOM 0 HG2 GLU A 120 105.467 -7.218 16.517 1.00 0.00 H new ATOM 0 HG3 GLU A 120 104.706 -6.848 14.982 1.00 0.00 H new ATOM 1921 N GLY A 121 108.841 -9.418 13.485 1.00 0.00 N ATOM 1922 CA GLY A 121 109.787 -10.544 13.259 1.00 0.00 C ATOM 1923 C GLY A 121 109.421 -11.250 11.965 1.00 0.00 C ATOM 1924 O GLY A 121 109.681 -12.425 11.789 1.00 0.00 O ATOM 0 H GLY A 121 108.916 -8.647 12.822 1.00 0.00 H new ATOM 0 HA2 GLY A 121 110.810 -10.171 13.207 1.00 0.00 H new ATOM 0 HA3 GLY A 121 109.745 -11.244 14.094 1.00 0.00 H new ATOM 1928 N VAL A 122 108.841 -10.535 11.046 1.00 0.00 N ATOM 1929 CA VAL A 122 108.478 -11.141 9.751 1.00 0.00 C ATOM 1930 C VAL A 122 109.163 -10.336 8.680 1.00 0.00 C ATOM 1931 O VAL A 122 109.817 -9.355 8.959 1.00 0.00 O ATOM 1932 CB VAL A 122 106.967 -11.109 9.540 1.00 0.00 C ATOM 1933 CG1 VAL A 122 106.564 -9.850 8.774 1.00 0.00 C ATOM 1934 CG2 VAL A 122 106.543 -12.346 8.753 1.00 0.00 C ATOM 0 H VAL A 122 108.603 -9.548 11.143 1.00 0.00 H new ATOM 0 HA VAL A 122 108.790 -12.185 9.721 1.00 0.00 H new ATOM 0 HB VAL A 122 106.471 -11.101 10.511 1.00 0.00 H new ATOM 0 HG11 VAL A 122 105.483 -9.841 8.631 1.00 0.00 H new ATOM 0 HG12 VAL A 122 106.862 -8.968 9.341 1.00 0.00 H new ATOM 0 HG13 VAL A 122 107.058 -9.841 7.803 1.00 0.00 H new ATOM 0 HG21 VAL A 122 105.464 -12.328 8.600 1.00 0.00 H new ATOM 0 HG22 VAL A 122 107.047 -12.353 7.786 1.00 0.00 H new ATOM 0 HG23 VAL A 122 106.815 -13.243 9.310 1.00 0.00 H new ATOM 1944 N GLU A 123 109.032 -10.729 7.464 1.00 0.00 N ATOM 1945 CA GLU A 123 109.706 -9.950 6.402 1.00 0.00 C ATOM 1946 C GLU A 123 109.009 -10.133 5.050 1.00 0.00 C ATOM 1947 O GLU A 123 108.860 -11.232 4.556 1.00 0.00 O ATOM 1948 CB GLU A 123 111.166 -10.407 6.287 1.00 0.00 C ATOM 1949 CG GLU A 123 112.085 -9.392 6.973 1.00 0.00 C ATOM 1950 CD GLU A 123 113.545 -9.766 6.711 1.00 0.00 C ATOM 1951 OE1 GLU A 123 114.021 -9.487 5.623 1.00 0.00 O ATOM 1952 OE2 GLU A 123 114.162 -10.325 7.602 1.00 0.00 O ATOM 0 H GLU A 123 108.498 -11.541 7.154 1.00 0.00 H new ATOM 0 HA GLU A 123 109.660 -8.894 6.670 1.00 0.00 H new ATOM 0 HB2 GLU A 123 111.286 -11.388 6.746 1.00 0.00 H new ATOM 0 HB3 GLU A 123 111.442 -10.510 5.238 1.00 0.00 H new ATOM 0 HG2 GLU A 123 111.882 -8.389 6.596 1.00 0.00 H new ATOM 0 HG3 GLU A 123 111.890 -9.375 8.045 1.00 0.00 H new ATOM 1959 N ALA A 124 108.615 -9.048 4.439 1.00 0.00 N ATOM 1960 CA ALA A 124 107.962 -9.125 3.102 1.00 0.00 C ATOM 1961 C ALA A 124 108.866 -8.411 2.096 1.00 0.00 C ATOM 1962 O ALA A 124 109.641 -7.551 2.465 1.00 0.00 O ATOM 1963 CB ALA A 124 106.593 -8.443 3.149 1.00 0.00 C ATOM 0 H ALA A 124 108.719 -8.105 4.813 1.00 0.00 H new ATOM 0 HA ALA A 124 107.817 -10.165 2.810 1.00 0.00 H new ATOM 0 HB1 ALA A 124 106.122 -8.504 2.168 1.00 0.00 H new ATOM 0 HB2 ALA A 124 105.963 -8.942 3.885 1.00 0.00 H new ATOM 0 HB3 ALA A 124 106.717 -7.397 3.428 1.00 0.00 H new ATOM 1969 N LYS A 125 108.799 -8.757 0.837 1.00 0.00 N ATOM 1970 CA LYS A 125 109.690 -8.083 -0.151 1.00 0.00 C ATOM 1971 C LYS A 125 108.905 -7.624 -1.379 1.00 0.00 C ATOM 1972 O LYS A 125 108.046 -8.319 -1.885 1.00 0.00 O ATOM 1973 CB LYS A 125 110.785 -9.053 -0.595 1.00 0.00 C ATOM 1974 CG LYS A 125 111.950 -8.267 -1.207 1.00 0.00 C ATOM 1975 CD LYS A 125 112.672 -9.132 -2.245 1.00 0.00 C ATOM 1976 CE LYS A 125 113.508 -10.201 -1.536 1.00 0.00 C ATOM 1977 NZ LYS A 125 113.486 -11.460 -2.335 1.00 0.00 N ATOM 0 H LYS A 125 108.175 -9.467 0.455 1.00 0.00 H new ATOM 0 HA LYS A 125 110.129 -7.209 0.329 1.00 0.00 H new ATOM 0 HB2 LYS A 125 111.134 -9.637 0.256 1.00 0.00 H new ATOM 0 HB3 LYS A 125 110.386 -9.759 -1.324 1.00 0.00 H new ATOM 0 HG2 LYS A 125 111.579 -7.355 -1.675 1.00 0.00 H new ATOM 0 HG3 LYS A 125 112.646 -7.964 -0.425 1.00 0.00 H new ATOM 0 HD2 LYS A 125 111.946 -9.604 -2.907 1.00 0.00 H new ATOM 0 HD3 LYS A 125 113.314 -8.509 -2.868 1.00 0.00 H new ATOM 0 HE2 LYS A 125 114.534 -9.853 -1.413 1.00 0.00 H new ATOM 0 HE3 LYS A 125 113.112 -10.385 -0.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 112.797 -12.121 -1.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 113.215 -11.244 -3.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 114.431 -11.894 -2.325 1.00 0.00 H new ATOM 1991 N ARG A 126 109.219 -6.456 -1.872 1.00 0.00 N ATOM 1992 CA ARG A 126 108.529 -5.931 -3.085 1.00 0.00 C ATOM 1993 C ARG A 126 109.588 -5.338 -4.018 1.00 0.00 C ATOM 1994 O ARG A 126 110.237 -4.368 -3.688 1.00 0.00 O ATOM 1995 CB ARG A 126 107.532 -4.843 -2.677 1.00 0.00 C ATOM 1996 CG ARG A 126 106.185 -5.484 -2.338 1.00 0.00 C ATOM 1997 CD ARG A 126 105.273 -4.442 -1.688 1.00 0.00 C ATOM 1998 NE ARG A 126 105.078 -3.300 -2.624 1.00 0.00 N ATOM 1999 CZ ARG A 126 104.093 -2.464 -2.439 1.00 0.00 C ATOM 2000 NH1 ARG A 126 103.922 -1.464 -3.260 1.00 0.00 N ATOM 2001 NH2 ARG A 126 103.279 -2.627 -1.432 1.00 0.00 N ATOM 0 H ARG A 126 109.931 -5.838 -1.482 1.00 0.00 H new ATOM 0 HA ARG A 126 107.989 -6.732 -3.590 1.00 0.00 H new ATOM 0 HB2 ARG A 126 107.911 -4.292 -1.816 1.00 0.00 H new ATOM 0 HB3 ARG A 126 107.411 -4.124 -3.487 1.00 0.00 H new ATOM 0 HG2 ARG A 126 105.720 -5.877 -3.242 1.00 0.00 H new ATOM 0 HG3 ARG A 126 106.331 -6.327 -1.662 1.00 0.00 H new ATOM 0 HD2 ARG A 126 104.311 -4.890 -1.439 1.00 0.00 H new ATOM 0 HD3 ARG A 126 105.712 -4.090 -0.755 1.00 0.00 H new ATOM 0 HE ARG A 126 105.715 -3.171 -3.410 1.00 0.00 H new ATOM 0 HH11 ARG A 126 104.558 -1.336 -4.047 1.00 0.00 H new ATOM 0 HH12 ARG A 126 103.152 -0.811 -3.115 1.00 0.00 H new ATOM 0 HH21 ARG A 126 103.413 -3.408 -0.789 1.00 0.00 H new ATOM 0 HH22 ARG A 126 102.509 -1.974 -1.288 1.00 0.00 H new ATOM 2015 N ILE A 127 109.791 -5.924 -5.170 1.00 0.00 N ATOM 2016 CA ILE A 127 110.838 -5.394 -6.092 1.00 0.00 C ATOM 2017 C ILE A 127 110.208 -4.726 -7.313 1.00 0.00 C ATOM 2018 O ILE A 127 109.453 -5.331 -8.048 1.00 0.00 O ATOM 2019 CB ILE A 127 111.722 -6.545 -6.568 1.00 0.00 C ATOM 2020 CG1 ILE A 127 112.247 -7.334 -5.359 1.00 0.00 C ATOM 2021 CG2 ILE A 127 112.902 -5.992 -7.378 1.00 0.00 C ATOM 2022 CD1 ILE A 127 112.231 -8.830 -5.682 1.00 0.00 C ATOM 0 H ILE A 127 109.281 -6.740 -5.510 1.00 0.00 H new ATOM 0 HA ILE A 127 111.427 -4.655 -5.549 1.00 0.00 H new ATOM 0 HB ILE A 127 111.133 -7.210 -7.200 1.00 0.00 H new ATOM 0 HG12 ILE A 127 113.260 -7.014 -5.114 1.00 0.00 H new ATOM 0 HG13 ILE A 127 111.629 -7.133 -4.484 1.00 0.00 H new ATOM 0 HG21 ILE A 127 113.530 -6.817 -7.715 1.00 0.00 H new ATOM 0 HG22 ILE A 127 112.525 -5.445 -8.243 1.00 0.00 H new ATOM 0 HG23 ILE A 127 113.490 -5.321 -6.752 1.00 0.00 H new ATOM 0 HD11 ILE A 127 112.603 -9.391 -4.825 1.00 0.00 H new ATOM 0 HD12 ILE A 127 111.211 -9.143 -5.906 1.00 0.00 H new ATOM 0 HD13 ILE A 127 112.867 -9.023 -6.546 1.00 0.00 H new ATOM 2034 N PHE A 128 110.538 -3.484 -7.549 1.00 0.00 N ATOM 2035 CA PHE A 128 109.986 -2.778 -8.741 1.00 0.00 C ATOM 2036 C PHE A 128 111.033 -2.806 -9.860 1.00 0.00 C ATOM 2037 O PHE A 128 112.138 -3.271 -9.675 1.00 0.00 O ATOM 2038 CB PHE A 128 109.666 -1.312 -8.398 1.00 0.00 C ATOM 2039 CG PHE A 128 108.734 -1.218 -7.212 1.00 0.00 C ATOM 2040 CD1 PHE A 128 108.050 -2.346 -6.776 1.00 0.00 C ATOM 2041 CD2 PHE A 128 108.550 0.006 -6.558 1.00 0.00 C ATOM 2042 CE1 PHE A 128 107.176 -2.265 -5.686 1.00 0.00 C ATOM 2043 CE2 PHE A 128 107.678 0.093 -5.465 1.00 0.00 C ATOM 2044 CZ PHE A 128 106.990 -1.045 -5.029 1.00 0.00 C ATOM 0 H PHE A 128 111.166 -2.928 -6.968 1.00 0.00 H new ATOM 0 HA PHE A 128 109.070 -3.277 -9.057 1.00 0.00 H new ATOM 0 HB2 PHE A 128 110.590 -0.777 -8.181 1.00 0.00 H new ATOM 0 HB3 PHE A 128 109.211 -0.825 -9.261 1.00 0.00 H new ATOM 0 HD1 PHE A 128 108.193 -3.290 -7.281 1.00 0.00 H new ATOM 0 HD2 PHE A 128 109.081 0.884 -6.896 1.00 0.00 H new ATOM 0 HE1 PHE A 128 106.645 -3.145 -5.352 1.00 0.00 H new ATOM 0 HE2 PHE A 128 107.537 1.037 -4.960 1.00 0.00 H new ATOM 0 HZ PHE A 128 106.317 -0.981 -4.187 1.00 0.00 H new ATOM 2054 N LYS A 129 110.692 -2.301 -11.015 1.00 0.00 N ATOM 2055 CA LYS A 129 111.659 -2.293 -12.149 1.00 0.00 C ATOM 2056 C LYS A 129 111.175 -1.311 -13.220 1.00 0.00 C ATOM 2057 O LYS A 129 110.023 -0.927 -13.247 1.00 0.00 O ATOM 2058 CB LYS A 129 111.754 -3.699 -12.749 1.00 0.00 C ATOM 2059 CG LYS A 129 113.025 -3.815 -13.604 1.00 0.00 C ATOM 2060 CD LYS A 129 112.671 -4.386 -14.979 1.00 0.00 C ATOM 2061 CE LYS A 129 113.953 -4.647 -15.772 1.00 0.00 C ATOM 2062 NZ LYS A 129 114.447 -6.022 -15.479 1.00 0.00 N ATOM 0 H LYS A 129 109.781 -1.892 -11.222 1.00 0.00 H new ATOM 0 HA LYS A 129 112.641 -1.986 -11.790 1.00 0.00 H new ATOM 0 HB2 LYS A 129 111.771 -4.444 -11.953 1.00 0.00 H new ATOM 0 HB3 LYS A 129 110.874 -3.904 -13.359 1.00 0.00 H new ATOM 0 HG2 LYS A 129 113.491 -2.836 -13.715 1.00 0.00 H new ATOM 0 HG3 LYS A 129 113.751 -4.459 -13.108 1.00 0.00 H new ATOM 0 HD2 LYS A 129 112.107 -5.312 -14.865 1.00 0.00 H new ATOM 0 HD3 LYS A 129 112.032 -3.688 -15.520 1.00 0.00 H new ATOM 0 HE2 LYS A 129 113.762 -4.538 -16.839 1.00 0.00 H new ATOM 0 HE3 LYS A 129 114.713 -3.912 -15.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 115.309 -6.206 -16.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 114.661 -6.105 -14.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 113.716 -6.716 -15.737 1.00 0.00 H new ATOM 2076 N LYS A 130 112.048 -0.896 -14.098 1.00 0.00 N ATOM 2077 CA LYS A 130 111.638 0.067 -15.159 1.00 0.00 C ATOM 2078 C LYS A 130 110.338 -0.406 -15.808 1.00 0.00 C ATOM 2079 O LYS A 130 110.195 -1.557 -16.172 1.00 0.00 O ATOM 2080 CB LYS A 130 112.737 0.152 -16.221 1.00 0.00 C ATOM 2081 CG LYS A 130 113.185 -1.260 -16.608 1.00 0.00 C ATOM 2082 CD LYS A 130 114.242 -1.178 -17.712 1.00 0.00 C ATOM 2083 CE LYS A 130 115.627 -1.020 -17.082 1.00 0.00 C ATOM 2084 NZ LYS A 130 116.614 -0.653 -18.139 1.00 0.00 N ATOM 0 H LYS A 130 113.027 -1.182 -14.126 1.00 0.00 H new ATOM 0 HA LYS A 130 111.483 1.050 -14.715 1.00 0.00 H new ATOM 0 HB2 LYS A 130 112.368 0.681 -17.100 1.00 0.00 H new ATOM 0 HB3 LYS A 130 113.584 0.721 -15.838 1.00 0.00 H new ATOM 0 HG2 LYS A 130 113.592 -1.775 -15.738 1.00 0.00 H new ATOM 0 HG3 LYS A 130 112.330 -1.843 -16.951 1.00 0.00 H new ATOM 0 HD2 LYS A 130 114.211 -2.077 -18.327 1.00 0.00 H new ATOM 0 HD3 LYS A 130 114.032 -0.335 -18.370 1.00 0.00 H new ATOM 0 HE2 LYS A 130 115.602 -0.251 -16.310 1.00 0.00 H new ATOM 0 HE3 LYS A 130 115.926 -1.949 -16.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 117.556 -0.545 -17.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 116.644 -1.401 -18.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 116.330 0.244 -18.582 1.00 0.00 H new ATOM 2098 N ASP A 131 109.385 0.474 -15.957 1.00 0.00 N ATOM 2099 CA ASP A 131 108.093 0.076 -16.582 1.00 0.00 C ATOM 2100 C ASP A 131 108.298 -0.145 -18.082 1.00 0.00 C ATOM 2101 O ASP A 131 108.982 0.662 -18.692 1.00 0.00 O ATOM 2102 CB ASP A 131 107.059 1.184 -16.367 1.00 0.00 C ATOM 2103 CG ASP A 131 107.435 2.404 -17.211 1.00 0.00 C ATOM 2104 OD1 ASP A 131 108.543 2.890 -17.053 1.00 0.00 O ATOM 2105 OD2 ASP A 131 106.608 2.831 -18.000 1.00 0.00 O ATOM 0 H ASP A 131 109.446 1.452 -15.672 1.00 0.00 H new ATOM 0 HA ASP A 131 107.738 -0.847 -16.124 1.00 0.00 H new ATOM 0 HB2 ASP A 131 106.067 0.829 -16.644 1.00 0.00 H new ATOM 0 HB3 ASP A 131 107.017 1.457 -15.313 1.00 0.00 H new TER 2110 ASP A 131