USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 0 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 39 GLN : amide:sc= -2.97 K(o=-3,f=-3.5!) USER MOD Set 1.2: A 95 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 3 GLN : amide:sc= -0.242 K(o=-0.33,f=-3.3!) USER MOD Set 2.2: A 25 SER OG : rot 180:sc= -0.0922 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 81:sc= 0.36 USER MOD Single : A 21 SER OG : rot 180:sc= -0.614 USER MOD Single : A 28 THR OG1 : rot -89:sc= -5.05! USER MOD Single : A 30 SER OG : rot 180:sc= 0.0164 USER MOD Single : A 31 SER OG : rot -121:sc= 0.297 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 141:sc= -14.6! (180deg=-20.2!) USER MOD Single : A 35 SER OG : rot -119:sc= -7.59! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 6:sc= 0.718 USER MOD Single : A 52 SER OG : rot 127:sc= 0.838 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -80:sc= 0.458 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.139 K(o=-0.14,f=-2.3!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.416 K(o=-0.42,f=-3.5!) USER MOD Single : A 78 THR OG1 : rot -122:sc= -2.48! USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.284 K(o=-0.28,f=-4!) USER MOD Single : A 83 MET CE :methyl -120:sc= -23.4! (180deg=-27.3!) USER MOD Single : A 84 ASN : amide:sc= -0.997! C(o=-1!,f=-4.7!) USER MOD Single : A 85 SER OG : rot -74:sc= -0.107 USER MOD Single : A 91 THR OG1 : rot 144:sc= -1.68! USER MOD Single : A 94 TYR OH : rot -131:sc= -0.39 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot -146:sc= 0.363 USER MOD Single : A 109 GLN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 111 THR OG1 : rot -140:sc= 0.109 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N VAL A 2 -12.104 11.089 -13.535 1.00 0.00 N ATOM 11 CA VAL A 2 -11.066 10.076 -13.192 1.00 0.00 C ATOM 12 C VAL A 2 -11.734 8.712 -12.973 1.00 0.00 C ATOM 13 O VAL A 2 -12.847 8.622 -12.495 1.00 0.00 O ATOM 14 CB VAL A 2 -10.328 10.521 -11.920 1.00 0.00 C ATOM 15 CG1 VAL A 2 -9.361 9.427 -11.462 1.00 0.00 C ATOM 16 CG2 VAL A 2 -9.531 11.793 -12.218 1.00 0.00 C ATOM 0 HA VAL A 2 -10.348 9.987 -14.008 1.00 0.00 H new ATOM 0 HB VAL A 2 -11.059 10.709 -11.134 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.843 9.753 -10.560 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -9.918 8.514 -11.251 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.632 9.233 -12.249 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -9.006 12.112 -11.318 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -8.808 11.592 -13.008 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.211 12.581 -12.540 1.00 0.00 H new ATOM 17 N GLN A 3 -11.051 7.653 -13.314 1.00 0.00 N ATOM 18 CA GLN A 3 -11.618 6.283 -13.129 1.00 0.00 C ATOM 19 C GLN A 3 -10.493 5.402 -12.610 1.00 0.00 C ATOM 20 O GLN A 3 -9.348 5.791 -12.670 1.00 0.00 O ATOM 21 CB GLN A 3 -12.133 5.741 -14.461 1.00 0.00 C ATOM 22 CG GLN A 3 -13.565 5.233 -14.284 1.00 0.00 C ATOM 23 CD GLN A 3 -14.463 5.839 -15.364 1.00 0.00 C ATOM 24 OE1 GLN A 3 -13.996 6.213 -16.421 1.00 0.00 O ATOM 25 NE2 GLN A 3 -15.745 5.952 -15.140 1.00 0.00 N ATOM 0 H GLN A 3 -10.114 7.677 -13.717 1.00 0.00 H new ATOM 0 HA GLN A 3 -12.454 6.302 -12.430 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -12.104 6.523 -15.220 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -11.490 4.934 -14.811 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -13.586 4.145 -14.348 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -13.937 5.501 -13.295 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -16.137 5.638 -14.252 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -16.354 6.354 -15.853 1.00 0.00 H new ATOM 26 N LEU A 4 -10.774 4.246 -12.063 1.00 0.00 N ATOM 27 CA LEU A 4 -9.640 3.440 -11.516 1.00 0.00 C ATOM 28 C LEU A 4 -10.119 2.150 -10.836 1.00 0.00 C ATOM 29 O LEU A 4 -11.278 2.003 -10.511 1.00 0.00 O ATOM 30 CB LEU A 4 -8.899 4.289 -10.476 1.00 0.00 C ATOM 31 CG LEU A 4 -9.814 5.400 -9.926 1.00 0.00 C ATOM 32 CD1 LEU A 4 -9.874 5.327 -8.406 1.00 0.00 C ATOM 33 CD2 LEU A 4 -9.286 6.769 -10.370 1.00 0.00 C ATOM 0 H LEU A 4 -11.704 3.836 -11.973 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.993 3.162 -12.348 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.558 3.654 -9.658 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.011 4.732 -10.927 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.821 5.261 -10.320 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.524 6.117 -8.029 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.269 4.357 -8.104 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.872 5.454 -7.996 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.935 7.553 -9.980 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.275 6.911 -9.988 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.272 6.818 -11.459 1.00 0.00 H new ATOM 34 N VAL A 5 -9.204 1.224 -10.610 1.00 0.00 N ATOM 35 CA VAL A 5 -9.561 -0.075 -9.937 1.00 0.00 C ATOM 36 C VAL A 5 -8.282 -0.918 -9.690 1.00 0.00 C ATOM 37 O VAL A 5 -7.807 -1.603 -10.572 1.00 0.00 O ATOM 38 CB VAL A 5 -10.537 -0.869 -10.834 1.00 0.00 C ATOM 39 CG1 VAL A 5 -10.449 -2.369 -10.526 1.00 0.00 C ATOM 40 CG2 VAL A 5 -11.972 -0.404 -10.580 1.00 0.00 C ATOM 0 H VAL A 5 -8.221 1.315 -10.865 1.00 0.00 H new ATOM 0 HA VAL A 5 -10.035 0.140 -8.979 1.00 0.00 H new ATOM 0 HB VAL A 5 -10.263 -0.693 -11.874 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -11.143 -2.913 -11.167 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.434 -2.719 -10.711 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.708 -2.542 -9.481 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.655 -0.968 -11.216 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -12.229 -0.571 -9.534 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -12.056 0.658 -10.809 1.00 0.00 H new ATOM 41 N GLU A 6 -7.741 -0.888 -8.491 1.00 0.00 N ATOM 42 CA GLU A 6 -6.510 -1.701 -8.181 1.00 0.00 C ATOM 43 C GLU A 6 -6.599 -3.061 -8.889 1.00 0.00 C ATOM 44 O GLU A 6 -7.671 -3.506 -9.247 1.00 0.00 O ATOM 45 CB GLU A 6 -6.430 -1.946 -6.672 1.00 0.00 C ATOM 46 CG GLU A 6 -7.836 -2.150 -6.117 1.00 0.00 C ATOM 47 CD GLU A 6 -8.219 -0.950 -5.244 1.00 0.00 C ATOM 48 OE1 GLU A 6 -8.350 0.134 -5.785 1.00 0.00 O ATOM 49 OE2 GLU A 6 -8.370 -1.135 -4.049 1.00 0.00 O ATOM 0 H GLU A 6 -8.098 -0.336 -7.711 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.629 -1.158 -8.523 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.815 -2.822 -6.467 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.952 -1.099 -6.180 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.549 -2.261 -6.934 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -7.878 -3.068 -5.531 1.00 0.00 H new ATOM 50 N SER A 7 -5.492 -3.735 -9.088 1.00 0.00 N ATOM 51 CA SER A 7 -5.556 -5.061 -9.768 1.00 0.00 C ATOM 52 C SER A 7 -4.156 -5.673 -9.854 1.00 0.00 C ATOM 53 O SER A 7 -3.161 -4.974 -9.848 1.00 0.00 O ATOM 54 CB SER A 7 -6.118 -4.881 -11.178 1.00 0.00 C ATOM 55 OG SER A 7 -7.194 -5.789 -11.375 1.00 0.00 O ATOM 0 H SER A 7 -4.559 -3.427 -8.812 1.00 0.00 H new ATOM 0 HA SER A 7 -6.202 -5.726 -9.195 1.00 0.00 H new ATOM 0 HB2 SER A 7 -6.462 -3.856 -11.316 1.00 0.00 H new ATOM 0 HB3 SER A 7 -5.338 -5.058 -11.918 1.00 0.00 H new ATOM 0 HG SER A 7 -7.557 -5.675 -12.278 1.00 0.00 H new ATOM 56 N GLY A 8 -4.071 -6.975 -9.939 1.00 0.00 N ATOM 57 CA GLY A 8 -2.734 -7.629 -10.033 1.00 0.00 C ATOM 58 C GLY A 8 -2.830 -9.088 -9.575 1.00 0.00 C ATOM 59 O GLY A 8 -3.471 -9.906 -10.203 1.00 0.00 O ATOM 0 H GLY A 8 -4.868 -7.612 -9.947 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.370 -7.585 -11.059 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.013 -7.092 -9.416 1.00 0.00 H new ATOM 60 N GLY A 9 -2.192 -9.415 -8.484 1.00 0.00 N ATOM 61 CA GLY A 9 -2.234 -10.814 -7.973 1.00 0.00 C ATOM 62 C GLY A 9 -1.184 -11.662 -8.694 1.00 0.00 C ATOM 63 O GLY A 9 -1.395 -12.825 -8.975 1.00 0.00 O ATOM 0 H GLY A 9 -1.640 -8.768 -7.921 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.048 -10.824 -6.899 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -3.226 -11.238 -8.128 1.00 0.00 H new ATOM 64 N GLY A 10 -0.051 -11.089 -8.990 1.00 0.00 N ATOM 65 CA GLY A 10 1.016 -11.858 -9.689 1.00 0.00 C ATOM 66 C GLY A 10 1.808 -12.687 -8.670 1.00 0.00 C ATOM 67 O GLY A 10 2.146 -12.210 -7.602 1.00 0.00 O ATOM 0 H GLY A 10 0.183 -10.119 -8.778 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.573 -12.513 -10.440 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.684 -11.176 -10.215 1.00 0.00 H new ATOM 68 N LEU A 11 2.131 -13.917 -8.989 1.00 0.00 N ATOM 69 CA LEU A 11 2.929 -14.732 -8.030 1.00 0.00 C ATOM 70 C LEU A 11 4.345 -14.171 -8.040 1.00 0.00 C ATOM 71 O LEU A 11 4.722 -13.473 -8.961 1.00 0.00 O ATOM 72 CB LEU A 11 2.969 -16.198 -8.458 1.00 0.00 C ATOM 73 CG LEU A 11 1.546 -16.700 -8.722 1.00 0.00 C ATOM 74 CD1 LEU A 11 1.335 -16.872 -10.228 1.00 0.00 C ATOM 75 CD2 LEU A 11 1.344 -18.046 -8.024 1.00 0.00 C ATOM 0 H LEU A 11 1.879 -14.384 -9.860 1.00 0.00 H new ATOM 0 HA LEU A 11 2.481 -14.685 -7.038 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.576 -16.308 -9.357 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.439 -16.801 -7.681 1.00 0.00 H new ATOM 0 HG LEU A 11 0.829 -15.976 -8.335 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.322 -17.229 -10.415 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.480 -15.914 -10.727 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.052 -17.595 -10.616 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.332 -18.405 -8.211 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.062 -18.768 -8.412 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.494 -17.926 -6.951 1.00 0.00 H new ATOM 76 N VAL A 12 5.147 -14.440 -7.049 1.00 0.00 N ATOM 77 CA VAL A 12 6.518 -13.867 -7.087 1.00 0.00 C ATOM 78 C VAL A 12 7.345 -14.277 -5.876 1.00 0.00 C ATOM 79 O VAL A 12 7.409 -13.570 -4.893 1.00 0.00 O ATOM 80 CB VAL A 12 6.455 -12.343 -7.114 1.00 0.00 C ATOM 81 CG1 VAL A 12 6.749 -11.853 -8.531 1.00 0.00 C ATOM 82 CG2 VAL A 12 5.068 -11.856 -6.689 1.00 0.00 C ATOM 0 H VAL A 12 4.922 -15.015 -6.237 1.00 0.00 H new ATOM 0 HA VAL A 12 6.991 -14.254 -7.990 1.00 0.00 H new ATOM 0 HB VAL A 12 7.195 -11.947 -6.419 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.705 -10.764 -8.556 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.744 -12.183 -8.831 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.008 -12.262 -9.218 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.041 -10.767 -6.714 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.318 -12.253 -7.373 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.856 -12.201 -5.677 1.00 0.00 H new ATOM 83 N GLN A 13 8.010 -15.386 -5.961 1.00 0.00 N ATOM 84 CA GLN A 13 8.891 -15.812 -4.827 1.00 0.00 C ATOM 85 C GLN A 13 9.712 -14.587 -4.388 1.00 0.00 C ATOM 86 O GLN A 13 9.662 -13.556 -5.030 1.00 0.00 O ATOM 87 CB GLN A 13 9.858 -16.929 -5.272 1.00 0.00 C ATOM 88 CG GLN A 13 9.837 -17.100 -6.794 1.00 0.00 C ATOM 89 CD GLN A 13 10.956 -18.053 -7.219 1.00 0.00 C ATOM 90 OE1 GLN A 13 11.846 -17.675 -7.954 1.00 0.00 O ATOM 91 NE2 GLN A 13 10.949 -19.284 -6.785 1.00 0.00 N ATOM 0 H GLN A 13 7.989 -16.021 -6.759 1.00 0.00 H new ATOM 0 HA GLN A 13 8.277 -16.195 -4.012 1.00 0.00 H new ATOM 0 HB2 GLN A 13 10.870 -16.691 -4.943 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.580 -17.868 -4.793 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.871 -17.492 -7.113 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.965 -16.133 -7.281 1.00 0.00 H new ATOM 0 HE21 GLN A 13 10.202 -19.603 -6.168 1.00 0.00 H new ATOM 0 HE22 GLN A 13 11.690 -19.927 -7.063 1.00 0.00 H new ATOM 92 N PRO A 14 10.449 -14.722 -3.319 1.00 0.00 N ATOM 93 CA PRO A 14 11.271 -13.615 -2.798 1.00 0.00 C ATOM 94 C PRO A 14 12.448 -13.304 -3.724 1.00 0.00 C ATOM 95 O PRO A 14 13.035 -14.180 -4.326 1.00 0.00 O ATOM 96 CB PRO A 14 11.741 -14.119 -1.433 1.00 0.00 C ATOM 97 CG PRO A 14 11.614 -15.657 -1.472 1.00 0.00 C ATOM 98 CD PRO A 14 10.551 -15.972 -2.541 1.00 0.00 C ATOM 0 HA PRO A 14 10.717 -12.679 -2.727 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.771 -13.819 -1.241 1.00 0.00 H new ATOM 0 HB3 PRO A 14 11.132 -13.699 -0.633 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.568 -16.120 -1.723 1.00 0.00 H new ATOM 0 HG3 PRO A 14 11.316 -16.048 -0.499 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.852 -16.810 -3.169 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.596 -16.240 -2.088 1.00 0.00 H new ATOM 99 N GLY A 15 12.783 -12.048 -3.839 1.00 0.00 N ATOM 100 CA GLY A 15 13.911 -11.647 -4.723 1.00 0.00 C ATOM 101 C GLY A 15 13.409 -11.548 -6.163 1.00 0.00 C ATOM 102 O GLY A 15 14.180 -11.516 -7.101 1.00 0.00 O ATOM 0 H GLY A 15 12.320 -11.279 -3.355 1.00 0.00 H new ATOM 0 HA2 GLY A 15 14.319 -10.689 -4.401 1.00 0.00 H new ATOM 0 HA3 GLY A 15 14.719 -12.376 -4.656 1.00 0.00 H new ATOM 103 N GLY A 16 12.117 -11.506 -6.344 1.00 0.00 N ATOM 104 CA GLY A 16 11.561 -11.416 -7.723 1.00 0.00 C ATOM 105 C GLY A 16 10.945 -10.033 -7.945 1.00 0.00 C ATOM 106 O GLY A 16 11.631 -9.080 -8.257 1.00 0.00 O ATOM 0 H GLY A 16 11.423 -11.530 -5.597 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.349 -11.595 -8.455 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.806 -12.188 -7.872 1.00 0.00 H new ATOM 107 N SER A 17 9.652 -9.919 -7.787 1.00 0.00 N ATOM 108 CA SER A 17 8.983 -8.600 -7.992 1.00 0.00 C ATOM 109 C SER A 17 7.486 -8.814 -8.211 1.00 0.00 C ATOM 110 O SER A 17 7.071 -9.408 -9.184 1.00 0.00 O ATOM 111 CB SER A 17 9.574 -7.904 -9.217 1.00 0.00 C ATOM 112 OG SER A 17 10.341 -6.784 -8.796 1.00 0.00 O ATOM 0 H SER A 17 9.030 -10.683 -7.525 1.00 0.00 H new ATOM 0 HA SER A 17 9.141 -7.980 -7.110 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.200 -8.598 -9.777 1.00 0.00 H new ATOM 0 HB3 SER A 17 8.777 -7.582 -9.887 1.00 0.00 H new ATOM 0 HG SER A 17 11.225 -7.086 -8.499 1.00 0.00 H new ATOM 113 N LEU A 18 6.672 -8.318 -7.321 1.00 0.00 N ATOM 114 CA LEU A 18 5.206 -8.476 -7.482 1.00 0.00 C ATOM 115 C LEU A 18 4.785 -7.714 -8.730 1.00 0.00 C ATOM 116 O LEU A 18 5.461 -6.805 -9.162 1.00 0.00 O ATOM 117 CB LEU A 18 4.487 -7.897 -6.262 1.00 0.00 C ATOM 118 CG LEU A 18 4.298 -8.975 -5.192 1.00 0.00 C ATOM 119 CD1 LEU A 18 5.661 -9.410 -4.647 1.00 0.00 C ATOM 120 CD2 LEU A 18 3.470 -8.405 -4.041 1.00 0.00 C ATOM 0 H LEU A 18 6.964 -7.809 -6.487 1.00 0.00 H new ATOM 0 HA LEU A 18 4.947 -9.531 -7.574 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.063 -7.067 -5.853 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.518 -7.497 -6.559 1.00 0.00 H new ATOM 0 HG LEU A 18 3.789 -9.831 -5.635 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.520 -10.177 -3.886 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.266 -9.812 -5.460 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.168 -8.551 -4.207 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.334 -9.170 -3.277 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.989 -7.549 -3.609 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.496 -8.088 -4.415 1.00 0.00 H new ATOM 121 N ARG A 19 3.688 -8.073 -9.323 1.00 0.00 N ATOM 122 CA ARG A 19 3.263 -7.357 -10.552 1.00 0.00 C ATOM 123 C ARG A 19 1.790 -6.955 -10.434 1.00 0.00 C ATOM 124 O ARG A 19 0.908 -7.657 -10.892 1.00 0.00 O ATOM 125 CB ARG A 19 3.449 -8.292 -11.747 1.00 0.00 C ATOM 126 CG ARG A 19 2.829 -7.675 -13.002 1.00 0.00 C ATOM 127 CD ARG A 19 3.238 -8.503 -14.224 1.00 0.00 C ATOM 128 NE ARG A 19 3.294 -7.626 -15.429 1.00 0.00 N ATOM 129 CZ ARG A 19 4.446 -7.341 -15.974 1.00 0.00 C ATOM 130 NH1 ARG A 19 5.338 -8.278 -16.148 1.00 0.00 N ATOM 131 NH2 ARG A 19 4.705 -6.117 -16.347 1.00 0.00 N ATOM 0 H ARG A 19 3.071 -8.824 -9.015 1.00 0.00 H new ATOM 0 HA ARG A 19 3.863 -6.457 -10.685 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.510 -8.478 -11.911 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.985 -9.256 -11.539 1.00 0.00 H new ATOM 0 HG2 ARG A 19 1.743 -7.650 -12.911 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.163 -6.644 -13.118 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.210 -8.965 -14.053 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.524 -9.311 -14.383 1.00 0.00 H new ATOM 0 HE ARG A 19 2.434 -7.249 -15.827 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.136 -9.235 -15.858 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.237 -8.053 -16.574 1.00 0.00 H new ATOM 0 HH21 ARG A 19 4.008 -5.385 -16.213 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.604 -5.893 -16.773 1.00 0.00 H new ATOM 132 N LEU A 20 1.509 -5.839 -9.816 1.00 0.00 N ATOM 133 CA LEU A 20 0.075 -5.415 -9.667 1.00 0.00 C ATOM 134 C LEU A 20 -0.160 -4.089 -10.393 1.00 0.00 C ATOM 135 O LEU A 20 0.494 -3.789 -11.372 1.00 0.00 O ATOM 136 CB LEU A 20 -0.274 -5.253 -8.188 1.00 0.00 C ATOM 137 CG LEU A 20 0.463 -6.297 -7.358 1.00 0.00 C ATOM 138 CD1 LEU A 20 0.361 -7.662 -8.036 1.00 0.00 C ATOM 139 CD2 LEU A 20 1.929 -5.901 -7.227 1.00 0.00 C ATOM 0 H LEU A 20 2.197 -5.205 -9.410 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.562 -6.183 -10.105 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.004 -4.252 -7.850 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.350 -5.358 -8.047 1.00 0.00 H new ATOM 0 HG LEU A 20 0.012 -6.353 -6.367 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.889 -8.405 -7.439 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.687 -7.947 -8.125 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.808 -7.610 -9.029 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.456 -6.648 -6.633 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.380 -5.841 -8.218 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.001 -4.930 -6.736 1.00 0.00 H new ATOM 140 N SER A 21 -1.100 -3.297 -9.936 1.00 0.00 N ATOM 141 CA SER A 21 -1.365 -2.012 -10.636 1.00 0.00 C ATOM 142 C SER A 21 -2.613 -1.303 -10.088 1.00 0.00 C ATOM 143 O SER A 21 -3.317 -1.803 -9.235 1.00 0.00 O ATOM 144 CB SER A 21 -1.601 -2.319 -12.107 1.00 0.00 C ATOM 145 OG SER A 21 -2.114 -3.638 -12.238 1.00 0.00 O ATOM 0 H SER A 21 -1.684 -3.485 -9.121 1.00 0.00 H new ATOM 0 HA SER A 21 -0.508 -1.356 -10.484 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.302 -1.601 -12.532 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.669 -2.223 -12.664 1.00 0.00 H new ATOM 0 HG SER A 21 -2.268 -3.837 -13.185 1.00 0.00 H new ATOM 146 N CYS A 22 -2.884 -0.140 -10.624 1.00 0.00 N ATOM 147 CA CYS A 22 -4.074 0.664 -10.233 1.00 0.00 C ATOM 148 C CYS A 22 -4.844 0.975 -11.516 1.00 0.00 C ATOM 149 O CYS A 22 -4.348 1.670 -12.383 1.00 0.00 O ATOM 150 CB CYS A 22 -3.625 1.980 -9.605 1.00 0.00 C ATOM 151 SG CYS A 22 -3.425 1.756 -7.829 1.00 0.00 S ATOM 0 H CYS A 22 -2.306 0.297 -11.342 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.687 0.118 -9.516 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -2.685 2.306 -10.050 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.360 2.760 -9.804 1.00 0.00 H new ATOM 152 N ALA A 23 -6.029 0.463 -11.672 1.00 0.00 N ATOM 153 CA ALA A 23 -6.772 0.752 -12.928 1.00 0.00 C ATOM 154 C ALA A 23 -6.992 2.254 -13.037 1.00 0.00 C ATOM 155 O ALA A 23 -6.889 2.978 -12.066 1.00 0.00 O ATOM 156 CB ALA A 23 -8.123 0.039 -12.942 1.00 0.00 C ATOM 0 H ALA A 23 -6.510 -0.133 -10.998 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.186 0.391 -13.773 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.645 0.267 -13.871 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.967 -1.037 -12.868 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.722 0.378 -12.096 1.00 0.00 H new ATOM 157 N ALA A 24 -7.303 2.724 -14.211 1.00 0.00 N ATOM 158 CA ALA A 24 -7.537 4.176 -14.403 1.00 0.00 C ATOM 159 C ALA A 24 -7.965 4.420 -15.857 1.00 0.00 C ATOM 160 O ALA A 24 -7.341 3.944 -16.801 1.00 0.00 O ATOM 161 CB ALA A 24 -6.256 4.954 -14.076 1.00 0.00 C ATOM 0 H ALA A 24 -7.405 2.157 -15.052 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.326 4.522 -13.735 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.432 6.020 -14.218 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.972 4.768 -13.040 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.453 4.627 -14.737 1.00 0.00 H new ATOM 162 N SER A 25 -9.050 5.133 -16.033 1.00 0.00 N ATOM 163 CA SER A 25 -9.574 5.396 -17.404 1.00 0.00 C ATOM 164 C SER A 25 -9.629 6.903 -17.678 1.00 0.00 C ATOM 165 O SER A 25 -8.702 7.474 -18.218 1.00 0.00 O ATOM 166 CB SER A 25 -10.985 4.825 -17.492 1.00 0.00 C ATOM 167 OG SER A 25 -11.621 5.314 -18.666 1.00 0.00 O ATOM 0 H SER A 25 -9.598 5.546 -15.278 1.00 0.00 H new ATOM 0 HA SER A 25 -8.917 4.931 -18.139 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.948 3.736 -17.512 1.00 0.00 H new ATOM 0 HB3 SER A 25 -11.559 5.108 -16.610 1.00 0.00 H new ATOM 0 HG SER A 25 -12.528 4.946 -18.724 1.00 0.00 H new ATOM 168 N GLY A 26 -10.721 7.541 -17.324 1.00 0.00 N ATOM 169 CA GLY A 26 -10.861 9.012 -17.569 1.00 0.00 C ATOM 170 C GLY A 26 -9.513 9.697 -17.361 1.00 0.00 C ATOM 171 O GLY A 26 -8.972 10.310 -18.258 1.00 0.00 O ATOM 0 H GLY A 26 -11.525 7.103 -16.874 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -11.218 9.189 -18.584 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -11.603 9.435 -16.892 1.00 0.00 H new ATOM 172 N PHE A 27 -8.958 9.578 -16.189 1.00 0.00 N ATOM 173 CA PHE A 27 -7.634 10.198 -15.930 1.00 0.00 C ATOM 174 C PHE A 27 -6.557 9.139 -16.185 1.00 0.00 C ATOM 175 O PHE A 27 -6.798 7.957 -16.035 1.00 0.00 O ATOM 176 CB PHE A 27 -7.583 10.703 -14.470 1.00 0.00 C ATOM 177 CG PHE A 27 -6.669 9.833 -13.632 1.00 0.00 C ATOM 178 CD1 PHE A 27 -7.143 8.625 -13.096 1.00 0.00 C ATOM 179 CD2 PHE A 27 -5.342 10.226 -13.406 1.00 0.00 C ATOM 180 CE1 PHE A 27 -6.295 7.820 -12.337 1.00 0.00 C ATOM 181 CE2 PHE A 27 -4.499 9.419 -12.653 1.00 0.00 C ATOM 182 CZ PHE A 27 -4.976 8.212 -12.116 1.00 0.00 C ATOM 0 H PHE A 27 -9.366 9.077 -15.399 1.00 0.00 H new ATOM 0 HA PHE A 27 -7.464 11.050 -16.588 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.231 11.734 -14.449 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -8.586 10.700 -14.044 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.164 8.320 -13.272 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.976 11.155 -13.817 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.660 6.893 -11.920 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.476 9.720 -12.480 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.319 7.586 -11.530 1.00 0.00 H new ATOM 183 N THR A 28 -5.376 9.536 -16.555 1.00 0.00 N ATOM 184 CA THR A 28 -4.315 8.524 -16.794 1.00 0.00 C ATOM 185 C THR A 28 -3.827 7.983 -15.445 1.00 0.00 C ATOM 186 O THR A 28 -4.519 7.231 -14.787 1.00 0.00 O ATOM 187 CB THR A 28 -3.158 9.158 -17.568 1.00 0.00 C ATOM 188 OG1 THR A 28 -2.894 10.448 -17.041 1.00 0.00 O ATOM 189 CG2 THR A 28 -3.535 9.276 -19.045 1.00 0.00 C ATOM 0 H THR A 28 -5.100 10.507 -16.701 1.00 0.00 H new ATOM 0 HA THR A 28 -4.714 7.701 -17.387 1.00 0.00 H new ATOM 0 HB THR A 28 -2.269 8.535 -17.472 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.445 11.111 -17.508 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.710 9.728 -19.596 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.741 8.284 -19.448 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.423 9.900 -19.145 1.00 0.00 H new ATOM 190 N PHE A 29 -2.643 8.344 -15.026 1.00 0.00 N ATOM 191 CA PHE A 29 -2.113 7.837 -13.722 1.00 0.00 C ATOM 192 C PHE A 29 -0.944 8.712 -13.302 1.00 0.00 C ATOM 193 O PHE A 29 -0.790 9.078 -12.152 1.00 0.00 O ATOM 194 CB PHE A 29 -1.602 6.410 -13.884 1.00 0.00 C ATOM 195 CG PHE A 29 -2.363 5.725 -14.978 1.00 0.00 C ATOM 196 CD1 PHE A 29 -2.053 5.984 -16.319 1.00 0.00 C ATOM 197 CD2 PHE A 29 -3.391 4.840 -14.652 1.00 0.00 C ATOM 198 CE1 PHE A 29 -2.775 5.346 -17.327 1.00 0.00 C ATOM 199 CE2 PHE A 29 -4.105 4.212 -15.657 1.00 0.00 C ATOM 200 CZ PHE A 29 -3.799 4.462 -16.991 1.00 0.00 C ATOM 0 H PHE A 29 -2.016 8.970 -15.531 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.909 7.860 -12.978 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.537 6.419 -14.118 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.718 5.863 -12.948 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.260 6.673 -16.571 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.629 4.645 -13.617 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.542 5.536 -18.364 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.901 3.527 -15.406 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.359 3.968 -17.771 1.00 0.00 H new ATOM 201 N SER A 30 -0.122 9.048 -14.250 1.00 0.00 N ATOM 202 CA SER A 30 1.055 9.903 -13.967 1.00 0.00 C ATOM 203 C SER A 30 0.736 11.311 -14.444 1.00 0.00 C ATOM 204 O SER A 30 1.267 12.283 -13.945 1.00 0.00 O ATOM 205 CB SER A 30 2.275 9.365 -14.719 1.00 0.00 C ATOM 206 OG SER A 30 1.911 8.182 -15.421 1.00 0.00 O ATOM 0 H SER A 30 -0.218 8.761 -15.224 1.00 0.00 H new ATOM 0 HA SER A 30 1.277 9.905 -12.900 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.647 10.116 -15.416 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.083 9.152 -14.019 1.00 0.00 H new ATOM 0 HG SER A 30 2.690 7.836 -15.905 1.00 0.00 H new ATOM 207 N SER A 31 -0.146 11.430 -15.402 1.00 0.00 N ATOM 208 CA SER A 31 -0.511 12.786 -15.890 1.00 0.00 C ATOM 209 C SER A 31 -0.769 13.664 -14.673 1.00 0.00 C ATOM 210 O SER A 31 -0.267 14.765 -14.568 1.00 0.00 O ATOM 211 CB SER A 31 -1.773 12.715 -16.748 1.00 0.00 C ATOM 212 OG SER A 31 -2.067 14.008 -17.261 1.00 0.00 O ATOM 0 H SER A 31 -0.623 10.654 -15.861 1.00 0.00 H new ATOM 0 HA SER A 31 0.295 13.197 -16.498 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.630 12.010 -17.567 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.610 12.348 -16.154 1.00 0.00 H new ATOM 0 HG SER A 31 -2.963 14.280 -16.970 1.00 0.00 H new ATOM 213 N TYR A 32 -1.535 13.174 -13.734 1.00 0.00 N ATOM 214 CA TYR A 32 -1.801 13.980 -12.512 1.00 0.00 C ATOM 215 C TYR A 32 -1.013 13.386 -11.342 1.00 0.00 C ATOM 216 O TYR A 32 -0.084 13.985 -10.841 1.00 0.00 O ATOM 217 CB TYR A 32 -3.297 13.956 -12.202 1.00 0.00 C ATOM 218 CG TYR A 32 -4.065 14.205 -13.475 1.00 0.00 C ATOM 219 CD1 TYR A 32 -4.145 13.202 -14.446 1.00 0.00 C ATOM 220 CD2 TYR A 32 -4.691 15.440 -13.688 1.00 0.00 C ATOM 221 CE1 TYR A 32 -4.853 13.431 -15.632 1.00 0.00 C ATOM 222 CE2 TYR A 32 -5.400 15.669 -14.874 1.00 0.00 C ATOM 223 CZ TYR A 32 -5.482 14.664 -15.846 1.00 0.00 C ATOM 224 OH TYR A 32 -6.179 14.888 -17.015 1.00 0.00 O ATOM 0 H TYR A 32 -1.983 12.258 -13.761 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.489 15.012 -12.671 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -3.578 12.993 -11.775 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.540 14.717 -11.460 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.661 12.251 -14.281 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -4.627 16.215 -12.938 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.914 12.657 -16.382 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -5.883 16.621 -15.039 1.00 0.00 H new ATOM 0 HH TYR A 32 -6.555 15.793 -17.003 1.00 0.00 H new ATOM 225 N ALA A 33 -1.378 12.205 -10.914 1.00 0.00 N ATOM 226 CA ALA A 33 -0.660 11.549 -9.783 1.00 0.00 C ATOM 227 C ALA A 33 -1.578 10.497 -9.162 1.00 0.00 C ATOM 228 O ALA A 33 -2.736 10.390 -9.516 1.00 0.00 O ATOM 229 CB ALA A 33 -0.284 12.589 -8.726 1.00 0.00 C ATOM 0 H ALA A 33 -2.149 11.663 -11.304 1.00 0.00 H new ATOM 0 HA ALA A 33 0.251 11.079 -10.153 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.240 12.100 -7.905 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.364 13.343 -9.172 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.188 13.066 -8.347 1.00 0.00 H new ATOM 230 N MET A 34 -1.081 9.721 -8.237 1.00 0.00 N ATOM 231 CA MET A 34 -1.940 8.691 -7.606 1.00 0.00 C ATOM 232 C MET A 34 -1.107 7.882 -6.624 1.00 0.00 C ATOM 233 O MET A 34 0.038 7.577 -6.868 1.00 0.00 O ATOM 234 CB MET A 34 -2.515 7.751 -8.673 1.00 0.00 C ATOM 235 CG MET A 34 -1.379 7.033 -9.413 1.00 0.00 C ATOM 236 SD MET A 34 -0.838 5.584 -8.462 1.00 0.00 S ATOM 237 CE MET A 34 -2.167 4.454 -8.941 1.00 0.00 C ATOM 0 H MET A 34 -0.121 9.759 -7.895 1.00 0.00 H new ATOM 0 HA MET A 34 -2.762 9.183 -7.086 1.00 0.00 H new ATOM 0 HB2 MET A 34 -3.175 7.019 -8.206 1.00 0.00 H new ATOM 0 HB3 MET A 34 -3.119 8.319 -9.381 1.00 0.00 H new ATOM 0 HG2 MET A 34 -1.716 6.724 -10.402 1.00 0.00 H new ATOM 0 HG3 MET A 34 -0.542 7.715 -9.561 1.00 0.00 H new ATOM 0 HE1 MET A 34 -1.759 3.454 -9.089 1.00 0.00 H new ATOM 0 HE2 MET A 34 -2.921 4.425 -8.155 1.00 0.00 H new ATOM 0 HE3 MET A 34 -2.623 4.801 -9.868 1.00 0.00 H new ATOM 238 N SER A 35 -1.689 7.509 -5.532 1.00 0.00 N ATOM 239 CA SER A 35 -0.956 6.686 -4.538 1.00 0.00 C ATOM 240 C SER A 35 -1.677 5.369 -4.450 1.00 0.00 C ATOM 241 O SER A 35 -2.789 5.260 -4.928 1.00 0.00 O ATOM 242 CB SER A 35 -0.977 7.360 -3.176 1.00 0.00 C ATOM 243 OG SER A 35 -0.198 8.549 -3.220 1.00 0.00 O ATOM 0 H SER A 35 -2.650 7.739 -5.279 1.00 0.00 H new ATOM 0 HA SER A 35 0.084 6.557 -4.838 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.002 7.595 -2.891 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.583 6.683 -2.418 1.00 0.00 H new ATOM 0 HG SER A 35 0.541 8.480 -2.580 1.00 0.00 H new ATOM 244 N TRP A 36 -1.105 4.335 -3.889 1.00 0.00 N ATOM 245 CA TRP A 36 -1.914 3.104 -3.902 1.00 0.00 C ATOM 246 C TRP A 36 -1.300 1.910 -3.145 1.00 0.00 C ATOM 247 O TRP A 36 -0.093 1.807 -2.925 1.00 0.00 O ATOM 248 CB TRP A 36 -2.183 2.788 -5.373 1.00 0.00 C ATOM 249 CG TRP A 36 -1.213 1.833 -5.928 1.00 0.00 C ATOM 250 CD1 TRP A 36 -0.008 2.152 -6.448 1.00 0.00 C ATOM 251 CD2 TRP A 36 -1.382 0.405 -6.084 1.00 0.00 C ATOM 252 NE1 TRP A 36 0.571 1.008 -6.919 1.00 0.00 N ATOM 253 CE2 TRP A 36 -0.232 -0.111 -6.706 1.00 0.00 C ATOM 254 CE3 TRP A 36 -2.417 -0.488 -5.734 1.00 0.00 C ATOM 255 CZ2 TRP A 36 -0.114 -1.477 -6.981 1.00 0.00 C ATOM 256 CZ3 TRP A 36 -2.295 -1.852 -6.002 1.00 0.00 C ATOM 257 CH2 TRP A 36 -1.151 -2.348 -6.622 1.00 0.00 C ATOM 0 H TRP A 36 -0.183 4.293 -3.455 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.837 3.278 -3.349 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.189 2.381 -5.476 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.152 3.711 -5.952 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.424 3.141 -6.485 1.00 0.00 H new ATOM 0 HE1 TRP A 36 1.484 0.976 -7.373 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.310 -0.113 -5.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 0.772 -1.858 -7.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.092 -2.527 -5.727 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.063 -3.405 -6.826 1.00 0.00 H new ATOM 258 N VAL A 37 -2.207 1.027 -2.752 1.00 0.00 N ATOM 259 CA VAL A 37 -1.907 -0.228 -1.986 1.00 0.00 C ATOM 260 C VAL A 37 -2.435 -0.063 -0.539 1.00 0.00 C ATOM 261 O VAL A 37 -3.106 0.896 -0.287 1.00 0.00 O ATOM 262 CB VAL A 37 -0.410 -0.558 -2.023 1.00 0.00 C ATOM 263 CG1 VAL A 37 -0.179 -1.904 -1.372 1.00 0.00 C ATOM 264 CG2 VAL A 37 0.064 -0.654 -3.467 1.00 0.00 C ATOM 0 H VAL A 37 -3.201 1.143 -2.949 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.413 -1.074 -2.451 1.00 0.00 H new ATOM 0 HB VAL A 37 0.135 0.226 -1.498 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.884 -2.142 -1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.520 -1.871 -0.337 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.735 -2.670 -1.913 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.128 -0.889 -3.486 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.490 -1.440 -3.980 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.107 0.298 -3.970 1.00 0.00 H new ATOM 265 N ARG A 38 -2.167 -1.000 0.384 1.00 0.00 N ATOM 266 CA ARG A 38 -2.643 -0.921 1.812 1.00 0.00 C ATOM 267 C ARG A 38 -3.579 -2.081 2.185 1.00 0.00 C ATOM 268 O ARG A 38 -4.778 -1.909 2.291 1.00 0.00 O ATOM 269 CB ARG A 38 -3.344 0.405 2.159 1.00 0.00 C ATOM 270 CG ARG A 38 -2.301 1.424 2.634 1.00 0.00 C ATOM 271 CD ARG A 38 -1.783 2.252 1.455 1.00 0.00 C ATOM 272 NE ARG A 38 -2.891 3.079 0.901 1.00 0.00 N ATOM 273 CZ ARG A 38 -2.730 4.365 0.749 1.00 0.00 C ATOM 274 NH1 ARG A 38 -1.534 4.858 0.567 1.00 0.00 N ATOM 275 NH2 ARG A 38 -3.764 5.160 0.782 1.00 0.00 N ATOM 0 H ARG A 38 -1.619 -1.837 0.183 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.727 -0.987 2.399 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.872 0.789 1.286 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.090 0.242 2.937 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.742 2.083 3.382 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.471 0.906 3.115 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.964 2.894 1.780 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.385 1.594 0.682 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.774 2.641 0.641 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.725 4.238 0.544 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.409 5.863 0.448 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.698 4.776 0.927 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.638 6.165 0.663 1.00 0.00 H new ATOM 276 N GLN A 39 -3.036 -3.248 2.452 1.00 0.00 N ATOM 277 CA GLN A 39 -3.885 -4.388 2.895 1.00 0.00 C ATOM 278 C GLN A 39 -3.038 -5.662 2.926 1.00 0.00 C ATOM 279 O GLN A 39 -1.925 -5.680 2.440 1.00 0.00 O ATOM 280 CB GLN A 39 -5.076 -4.540 1.959 1.00 0.00 C ATOM 281 CG GLN A 39 -6.341 -4.099 2.705 1.00 0.00 C ATOM 282 CD GLN A 39 -7.268 -5.298 2.914 1.00 0.00 C ATOM 283 OE1 GLN A 39 -6.816 -6.387 3.209 1.00 0.00 O ATOM 284 NE2 GLN A 39 -8.558 -5.144 2.772 1.00 0.00 N ATOM 0 H GLN A 39 -2.040 -3.454 2.380 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.269 -4.201 3.898 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.934 -3.935 1.064 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.171 -5.575 1.632 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.073 -3.664 3.668 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.857 -3.324 2.138 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.938 -4.231 2.524 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -9.184 -5.937 2.909 1.00 0.00 H new ATOM 285 N ALA A 40 -3.531 -6.715 3.518 1.00 0.00 N ATOM 286 CA ALA A 40 -2.726 -7.959 3.590 1.00 0.00 C ATOM 287 C ALA A 40 -3.446 -8.980 4.483 1.00 0.00 C ATOM 288 O ALA A 40 -4.453 -8.669 5.086 1.00 0.00 O ATOM 289 CB ALA A 40 -1.369 -7.615 4.201 1.00 0.00 C ATOM 0 H ALA A 40 -4.453 -6.765 3.952 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.595 -8.384 2.595 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.759 -8.516 4.264 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.865 -6.878 3.576 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.513 -7.204 5.200 1.00 0.00 H new ATOM 290 N PRO A 41 -2.888 -10.162 4.561 1.00 0.00 N ATOM 291 CA PRO A 41 -3.436 -11.247 5.401 1.00 0.00 C ATOM 292 C PRO A 41 -3.231 -10.861 6.875 1.00 0.00 C ATOM 293 O PRO A 41 -3.667 -9.808 7.296 1.00 0.00 O ATOM 294 CB PRO A 41 -2.604 -12.473 4.971 1.00 0.00 C ATOM 295 CG PRO A 41 -1.309 -11.920 4.347 1.00 0.00 C ATOM 296 CD PRO A 41 -1.657 -10.520 3.827 1.00 0.00 C ATOM 0 HA PRO A 41 -4.502 -11.442 5.287 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.382 -13.111 5.826 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.152 -13.082 4.253 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.508 -11.875 5.085 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.960 -12.562 3.538 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.854 -9.810 4.024 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.822 -10.524 2.750 1.00 0.00 H new ATOM 297 N GLY A 42 -2.537 -11.647 7.657 1.00 0.00 N ATOM 298 CA GLY A 42 -2.292 -11.230 9.065 1.00 0.00 C ATOM 299 C GLY A 42 -1.179 -10.178 9.050 1.00 0.00 C ATOM 300 O GLY A 42 -0.731 -9.706 10.076 1.00 0.00 O ATOM 0 H GLY A 42 -2.136 -12.545 7.386 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.200 -10.820 9.506 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.001 -12.087 9.673 1.00 0.00 H new ATOM 301 N LYS A 43 -0.735 -9.816 7.871 1.00 0.00 N ATOM 302 CA LYS A 43 0.341 -8.810 7.717 1.00 0.00 C ATOM 303 C LYS A 43 -0.237 -7.397 7.806 1.00 0.00 C ATOM 304 O LYS A 43 0.363 -6.451 7.338 1.00 0.00 O ATOM 305 CB LYS A 43 0.958 -9.007 6.333 1.00 0.00 C ATOM 306 CG LYS A 43 2.286 -8.251 6.247 1.00 0.00 C ATOM 307 CD LYS A 43 3.389 -9.198 5.768 1.00 0.00 C ATOM 308 CE LYS A 43 4.737 -8.719 6.307 1.00 0.00 C ATOM 309 NZ LYS A 43 5.236 -7.593 5.466 1.00 0.00 N ATOM 0 H LYS A 43 -1.089 -10.191 6.991 1.00 0.00 H new ATOM 0 HA LYS A 43 1.084 -8.933 8.505 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.120 -10.068 6.144 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.274 -8.647 5.565 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.193 -7.409 5.561 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.545 -7.839 7.223 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.187 -10.213 6.111 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.410 -9.228 4.679 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.633 -8.395 7.343 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.456 -9.539 6.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.153 -7.266 5.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.350 -7.917 4.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.553 -6.809 5.494 1.00 0.00 H new ATOM 310 N GLU A 44 -1.396 -7.244 8.390 1.00 0.00 N ATOM 311 CA GLU A 44 -2.007 -5.888 8.488 1.00 0.00 C ATOM 312 C GLU A 44 -1.885 -5.199 7.136 1.00 0.00 C ATOM 313 O GLU A 44 -1.482 -5.798 6.159 1.00 0.00 O ATOM 314 CB GLU A 44 -1.295 -5.079 9.579 1.00 0.00 C ATOM 315 CG GLU A 44 0.078 -4.607 9.088 1.00 0.00 C ATOM 316 CD GLU A 44 0.580 -3.481 9.994 1.00 0.00 C ATOM 317 OE1 GLU A 44 -0.037 -2.429 9.997 1.00 0.00 O ATOM 318 OE2 GLU A 44 1.573 -3.691 10.671 1.00 0.00 O ATOM 0 H GLU A 44 -1.944 -7.999 8.802 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.061 -5.966 8.756 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.904 -4.219 9.858 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.177 -5.690 10.474 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.784 -5.437 9.095 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.008 -4.257 8.058 1.00 0.00 H new ATOM 319 N ARG A 45 -2.242 -3.953 7.053 1.00 0.00 N ATOM 320 CA ARG A 45 -2.136 -3.263 5.737 1.00 0.00 C ATOM 321 C ARG A 45 -0.737 -3.453 5.191 1.00 0.00 C ATOM 322 O ARG A 45 0.084 -4.149 5.755 1.00 0.00 O ATOM 323 CB ARG A 45 -2.352 -1.760 5.860 1.00 0.00 C ATOM 324 CG ARG A 45 -3.749 -1.381 5.369 1.00 0.00 C ATOM 325 CD ARG A 45 -4.778 -2.379 5.900 1.00 0.00 C ATOM 326 NE ARG A 45 -5.973 -1.643 6.402 1.00 0.00 N ATOM 327 CZ ARG A 45 -6.104 -1.408 7.678 1.00 0.00 C ATOM 328 NH1 ARG A 45 -5.058 -1.444 8.458 1.00 0.00 N ATOM 329 NH2 ARG A 45 -7.279 -1.134 8.174 1.00 0.00 N ATOM 0 H ARG A 45 -2.597 -3.387 7.823 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.901 -3.691 5.088 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.228 -1.452 6.898 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.599 -1.229 5.278 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -4.000 -0.374 5.703 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.770 -1.370 4.279 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.070 -3.071 5.110 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.342 -2.975 6.702 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.688 -1.323 5.748 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -4.139 -1.656 8.069 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.160 -1.260 9.456 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.096 -1.104 7.564 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.381 -0.950 9.172 1.00 0.00 H new ATOM 330 N GLU A 46 -0.460 -2.810 4.102 1.00 0.00 N ATOM 331 CA GLU A 46 0.879 -2.913 3.500 1.00 0.00 C ATOM 332 C GLU A 46 0.858 -2.152 2.185 1.00 0.00 C ATOM 333 O GLU A 46 0.371 -2.649 1.193 1.00 0.00 O ATOM 334 CB GLU A 46 1.201 -4.384 3.241 1.00 0.00 C ATOM 335 CG GLU A 46 2.711 -4.609 3.342 1.00 0.00 C ATOM 336 CD GLU A 46 3.217 -4.106 4.695 1.00 0.00 C ATOM 337 OE1 GLU A 46 2.842 -4.687 5.700 1.00 0.00 O ATOM 338 OE2 GLU A 46 3.972 -3.147 4.703 1.00 0.00 O ATOM 0 H GLU A 46 -1.115 -2.211 3.600 1.00 0.00 H new ATOM 0 HA GLU A 46 1.636 -2.497 4.165 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.681 -5.012 3.964 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.846 -4.675 2.252 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.939 -5.669 3.229 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.222 -4.085 2.534 1.00 0.00 H new ATOM 339 N ILE A 47 1.369 -0.949 2.168 1.00 0.00 N ATOM 340 CA ILE A 47 1.372 -0.165 0.902 1.00 0.00 C ATOM 341 C ILE A 47 2.440 -0.740 -0.008 1.00 0.00 C ATOM 342 O ILE A 47 3.206 -1.600 0.380 1.00 0.00 O ATOM 343 CB ILE A 47 1.719 1.308 1.178 1.00 0.00 C ATOM 344 CG1 ILE A 47 1.240 2.179 -0.007 1.00 0.00 C ATOM 345 CG2 ILE A 47 3.235 1.455 1.364 1.00 0.00 C ATOM 346 CD1 ILE A 47 2.419 2.626 -0.906 1.00 0.00 C ATOM 0 H ILE A 47 1.782 -0.479 2.973 1.00 0.00 H new ATOM 0 HA ILE A 47 0.384 -0.220 0.445 1.00 0.00 H new ATOM 0 HB ILE A 47 1.219 1.638 2.089 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.521 1.618 -0.603 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.720 3.058 0.375 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.478 2.499 1.559 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.559 0.843 2.206 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.746 1.127 0.459 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.040 3.236 -1.726 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.125 3.210 -0.316 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.923 1.747 -1.309 1.00 0.00 H new ATOM 347 N VAL A 48 2.535 -0.239 -1.193 1.00 0.00 N ATOM 348 CA VAL A 48 3.596 -0.714 -2.089 1.00 0.00 C ATOM 349 C VAL A 48 4.141 0.469 -2.868 1.00 0.00 C ATOM 350 O VAL A 48 5.320 0.539 -3.134 1.00 0.00 O ATOM 351 CB VAL A 48 3.087 -1.772 -3.051 1.00 0.00 C ATOM 352 CG1 VAL A 48 4.266 -2.232 -3.896 1.00 0.00 C ATOM 353 CG2 VAL A 48 2.538 -2.964 -2.262 1.00 0.00 C ATOM 0 H VAL A 48 1.922 0.480 -1.578 1.00 0.00 H new ATOM 0 HA VAL A 48 4.381 -1.170 -1.486 1.00 0.00 H new ATOM 0 HB VAL A 48 2.293 -1.367 -3.678 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.933 -2.995 -4.600 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.673 -1.383 -4.446 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.038 -2.648 -3.248 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.173 -3.722 -2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.330 -3.388 -1.645 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.719 -2.632 -1.624 1.00 0.00 H new ATOM 354 N SER A 49 3.335 1.428 -3.238 1.00 0.00 N ATOM 355 CA SER A 49 3.952 2.552 -3.979 1.00 0.00 C ATOM 356 C SER A 49 2.947 3.625 -4.371 1.00 0.00 C ATOM 357 O SER A 49 1.752 3.405 -4.450 1.00 0.00 O ATOM 358 CB SER A 49 4.631 2.005 -5.230 1.00 0.00 C ATOM 359 OG SER A 49 5.989 2.419 -5.248 1.00 0.00 O ATOM 0 H SER A 49 2.330 1.480 -3.069 1.00 0.00 H new ATOM 0 HA SER A 49 4.677 3.025 -3.316 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.571 0.917 -5.244 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.118 2.364 -6.122 1.00 0.00 H new ATOM 0 HG SER A 49 6.203 2.876 -4.408 1.00 0.00 H new ATOM 360 N ALA A 50 3.457 4.800 -4.614 1.00 0.00 N ATOM 361 CA ALA A 50 2.584 5.940 -5.010 1.00 0.00 C ATOM 362 C ALA A 50 3.409 6.979 -5.780 1.00 0.00 C ATOM 363 O ALA A 50 4.603 6.837 -5.941 1.00 0.00 O ATOM 364 CB ALA A 50 2.000 6.566 -3.749 1.00 0.00 C ATOM 0 H ALA A 50 4.451 5.021 -4.555 1.00 0.00 H new ATOM 0 HA ALA A 50 1.778 5.589 -5.654 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.358 7.403 -4.022 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.415 5.821 -3.210 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.809 6.922 -3.112 1.00 0.00 H new ATOM 365 N VAL A 51 2.774 8.016 -6.261 1.00 0.00 N ATOM 366 CA VAL A 51 3.510 9.067 -7.024 1.00 0.00 C ATOM 367 C VAL A 51 2.651 10.331 -7.075 1.00 0.00 C ATOM 368 O VAL A 51 1.805 10.479 -7.932 1.00 0.00 O ATOM 369 CB VAL A 51 3.777 8.576 -8.446 1.00 0.00 C ATOM 370 CG1 VAL A 51 2.497 7.966 -9.023 1.00 0.00 C ATOM 371 CG2 VAL A 51 4.212 9.754 -9.321 1.00 0.00 C ATOM 0 H VAL A 51 1.773 8.181 -6.157 1.00 0.00 H new ATOM 0 HA VAL A 51 4.460 9.282 -6.535 1.00 0.00 H new ATOM 0 HB VAL A 51 4.566 7.824 -8.427 1.00 0.00 H new ATOM 0 HG11 VAL A 51 2.686 7.615 -10.038 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.182 7.127 -8.402 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.710 8.720 -9.041 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.402 9.403 -10.335 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.422 10.505 -9.339 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.122 10.194 -8.913 1.00 0.00 H new ATOM 372 N SER A 52 2.844 11.239 -6.159 1.00 0.00 N ATOM 373 CA SER A 52 2.008 12.476 -6.163 1.00 0.00 C ATOM 374 C SER A 52 2.892 13.725 -6.173 1.00 0.00 C ATOM 375 O SER A 52 4.101 13.643 -6.239 1.00 0.00 O ATOM 376 CB SER A 52 1.132 12.483 -4.909 1.00 0.00 C ATOM 377 OG SER A 52 0.177 13.530 -5.004 1.00 0.00 O ATOM 0 H SER A 52 3.538 11.181 -5.413 1.00 0.00 H new ATOM 0 HA SER A 52 1.388 12.484 -7.059 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.626 11.524 -4.801 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.750 12.620 -4.022 1.00 0.00 H new ATOM 0 HG SER A 52 -0.721 13.168 -4.852 1.00 0.00 H new ATOM 378 N GLY A 53 2.289 14.882 -6.111 1.00 0.00 N ATOM 379 CA GLY A 53 3.079 16.148 -6.113 1.00 0.00 C ATOM 380 C GLY A 53 3.949 16.206 -7.366 1.00 0.00 C ATOM 381 O GLY A 53 5.148 16.032 -7.305 1.00 0.00 O ATOM 0 H GLY A 53 1.278 15.005 -6.059 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.409 17.007 -6.083 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.704 16.200 -5.221 1.00 0.00 H new ATOM 382 N SER A 54 3.356 16.438 -8.506 1.00 0.00 N ATOM 383 CA SER A 54 4.160 16.491 -9.759 1.00 0.00 C ATOM 384 C SER A 54 4.928 15.179 -9.901 1.00 0.00 C ATOM 385 O SER A 54 5.896 15.085 -10.629 1.00 0.00 O ATOM 386 CB SER A 54 5.148 17.651 -9.689 1.00 0.00 C ATOM 387 OG SER A 54 4.727 18.679 -10.576 1.00 0.00 O ATOM 0 H SER A 54 2.355 16.592 -8.623 1.00 0.00 H new ATOM 0 HA SER A 54 3.501 16.636 -10.615 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.205 18.034 -8.670 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.148 17.309 -9.958 1.00 0.00 H new ATOM 0 HG SER A 54 5.358 19.427 -10.533 1.00 0.00 H new ATOM 388 N GLY A 55 4.502 14.165 -9.201 1.00 0.00 N ATOM 389 CA GLY A 55 5.198 12.856 -9.276 1.00 0.00 C ATOM 390 C GLY A 55 6.295 12.804 -8.214 1.00 0.00 C ATOM 391 O GLY A 55 6.652 11.745 -7.735 1.00 0.00 O ATOM 0 H GLY A 55 3.696 14.190 -8.577 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.487 12.044 -9.121 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.629 12.717 -10.267 1.00 0.00 H new ATOM 392 N GLY A 56 6.830 13.940 -7.837 1.00 0.00 N ATOM 393 CA GLY A 56 7.898 13.955 -6.794 1.00 0.00 C ATOM 394 C GLY A 56 7.530 12.964 -5.693 1.00 0.00 C ATOM 395 O GLY A 56 8.217 11.987 -5.468 1.00 0.00 O ATOM 0 H GLY A 56 6.572 14.855 -8.207 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.859 13.689 -7.235 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.005 14.957 -6.379 1.00 0.00 H new ATOM 396 N SER A 57 6.437 13.193 -5.019 1.00 0.00 N ATOM 397 CA SER A 57 6.017 12.243 -3.956 1.00 0.00 C ATOM 398 C SER A 57 6.082 10.829 -4.526 1.00 0.00 C ATOM 399 O SER A 57 5.822 10.615 -5.694 1.00 0.00 O ATOM 400 CB SER A 57 4.583 12.554 -3.531 1.00 0.00 C ATOM 401 OG SER A 57 4.581 13.029 -2.192 1.00 0.00 O ATOM 0 H SER A 57 5.820 13.993 -5.159 1.00 0.00 H new ATOM 0 HA SER A 57 6.673 12.333 -3.090 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.149 13.302 -4.195 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.966 11.659 -3.612 1.00 0.00 H new ATOM 0 HG SER A 57 3.662 13.231 -1.918 1.00 0.00 H new ATOM 402 N THR A 58 6.423 9.861 -3.726 1.00 0.00 N ATOM 403 CA THR A 58 6.501 8.473 -4.246 1.00 0.00 C ATOM 404 C THR A 58 6.588 7.503 -3.074 1.00 0.00 C ATOM 405 O THR A 58 7.400 7.657 -2.183 1.00 0.00 O ATOM 406 CB THR A 58 7.740 8.326 -5.134 1.00 0.00 C ATOM 407 OG1 THR A 58 8.781 9.150 -4.630 1.00 0.00 O ATOM 408 CG2 THR A 58 7.396 8.748 -6.564 1.00 0.00 C ATOM 0 H THR A 58 6.650 9.971 -2.738 1.00 0.00 H new ATOM 0 HA THR A 58 5.612 8.252 -4.836 1.00 0.00 H new ATOM 0 HB THR A 58 8.068 7.287 -5.134 1.00 0.00 H new ATOM 0 HG1 THR A 58 8.635 10.075 -4.920 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.278 8.643 -7.196 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.597 8.114 -6.948 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.068 9.787 -6.568 1.00 0.00 H new ATOM 409 N TYR A 59 5.745 6.513 -3.056 1.00 0.00 N ATOM 410 CA TYR A 59 5.767 5.545 -1.928 1.00 0.00 C ATOM 411 C TYR A 59 6.384 4.221 -2.359 1.00 0.00 C ATOM 412 O TYR A 59 6.468 3.916 -3.534 1.00 0.00 O ATOM 413 CB TYR A 59 4.357 5.301 -1.445 1.00 0.00 C ATOM 414 CG TYR A 59 4.281 5.667 0.006 1.00 0.00 C ATOM 415 CD1 TYR A 59 4.220 7.011 0.382 1.00 0.00 C ATOM 416 CD2 TYR A 59 4.282 4.664 0.971 1.00 0.00 C ATOM 417 CE1 TYR A 59 4.156 7.351 1.738 1.00 0.00 C ATOM 418 CE2 TYR A 59 4.219 4.996 2.327 1.00 0.00 C ATOM 419 CZ TYR A 59 4.155 6.342 2.712 1.00 0.00 C ATOM 420 OH TYR A 59 4.094 6.674 4.051 1.00 0.00 O ATOM 0 H TYR A 59 5.042 6.332 -3.772 1.00 0.00 H new ATOM 0 HA TYR A 59 6.371 5.967 -1.125 1.00 0.00 H new ATOM 0 HB2 TYR A 59 3.650 5.896 -2.023 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.084 4.255 -1.587 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.222 7.785 -0.371 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.332 3.628 0.671 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.107 8.389 2.034 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.220 4.218 3.076 1.00 0.00 H new ATOM 0 HH TYR A 59 4.101 5.856 4.591 1.00 0.00 H new ATOM 421 N TYR A 60 6.843 3.452 -1.395 1.00 0.00 N ATOM 422 CA TYR A 60 7.500 2.140 -1.682 1.00 0.00 C ATOM 423 C TYR A 60 7.234 1.157 -0.537 1.00 0.00 C ATOM 424 O TYR A 60 8.150 0.727 0.135 1.00 0.00 O ATOM 425 CB TYR A 60 9.013 2.344 -1.763 1.00 0.00 C ATOM 426 CG TYR A 60 9.349 3.277 -2.890 1.00 0.00 C ATOM 427 CD1 TYR A 60 9.007 4.625 -2.793 1.00 0.00 C ATOM 428 CD2 TYR A 60 10.008 2.797 -4.022 1.00 0.00 C ATOM 429 CE1 TYR A 60 9.321 5.502 -3.833 1.00 0.00 C ATOM 430 CE2 TYR A 60 10.325 3.669 -5.066 1.00 0.00 C ATOM 431 CZ TYR A 60 9.983 5.025 -4.973 1.00 0.00 C ATOM 432 OH TYR A 60 10.296 5.889 -6.003 1.00 0.00 O ATOM 0 H TYR A 60 6.787 3.687 -0.404 1.00 0.00 H new ATOM 0 HA TYR A 60 7.102 1.750 -2.619 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.384 2.750 -0.822 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.509 1.385 -1.914 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.499 4.991 -1.913 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.273 1.752 -4.091 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.054 6.546 -3.759 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.833 3.299 -5.944 1.00 0.00 H new ATOM 0 HH TYR A 60 10.754 5.396 -6.716 1.00 0.00 H new ATOM 433 N ALA A 61 6.008 0.792 -0.300 1.00 0.00 N ATOM 434 CA ALA A 61 5.735 -0.166 0.812 1.00 0.00 C ATOM 435 C ALA A 61 6.401 0.325 2.096 1.00 0.00 C ATOM 436 O ALA A 61 6.876 1.440 2.177 1.00 0.00 O ATOM 437 CB ALA A 61 6.306 -1.538 0.460 1.00 0.00 C ATOM 0 H ALA A 61 5.189 1.109 -0.819 1.00 0.00 H new ATOM 0 HA ALA A 61 4.657 -0.236 0.958 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.105 -2.235 1.273 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.838 -1.903 -0.454 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.382 -1.456 0.309 1.00 0.00 H new ATOM 438 N ASP A 62 6.443 -0.510 3.099 1.00 0.00 N ATOM 439 CA ASP A 62 7.083 -0.112 4.382 1.00 0.00 C ATOM 440 C ASP A 62 8.329 -0.972 4.613 1.00 0.00 C ATOM 441 O ASP A 62 9.132 -0.699 5.484 1.00 0.00 O ATOM 442 CB ASP A 62 6.095 -0.322 5.532 1.00 0.00 C ATOM 443 CG ASP A 62 4.818 0.476 5.259 1.00 0.00 C ATOM 444 OD1 ASP A 62 4.780 1.638 5.626 1.00 0.00 O ATOM 445 OD2 ASP A 62 3.900 -0.088 4.686 1.00 0.00 O ATOM 0 H ASP A 62 6.059 -1.455 3.083 1.00 0.00 H new ATOM 0 HA ASP A 62 7.368 0.939 4.339 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.860 -1.381 5.635 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.542 -0.002 6.473 1.00 0.00 H new ATOM 446 N SER A 63 8.498 -2.010 3.838 1.00 0.00 N ATOM 447 CA SER A 63 9.692 -2.886 4.011 1.00 0.00 C ATOM 448 C SER A 63 10.536 -2.861 2.739 1.00 0.00 C ATOM 449 O SER A 63 11.619 -3.409 2.691 1.00 0.00 O ATOM 450 CB SER A 63 9.243 -4.321 4.265 1.00 0.00 C ATOM 451 OG SER A 63 7.933 -4.316 4.819 1.00 0.00 O ATOM 0 H SER A 63 7.860 -2.289 3.092 1.00 0.00 H new ATOM 0 HA SER A 63 10.277 -2.522 4.855 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.254 -4.887 3.334 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.936 -4.815 4.946 1.00 0.00 H new ATOM 0 HG SER A 63 7.643 -5.238 4.981 1.00 0.00 H new ATOM 452 N VAL A 64 10.050 -2.238 1.703 1.00 0.00 N ATOM 453 CA VAL A 64 10.831 -2.196 0.439 1.00 0.00 C ATOM 454 C VAL A 64 11.188 -0.747 0.111 1.00 0.00 C ATOM 455 O VAL A 64 11.363 -0.385 -1.034 1.00 0.00 O ATOM 456 CB VAL A 64 10.016 -2.802 -0.707 1.00 0.00 C ATOM 457 CG1 VAL A 64 10.959 -3.549 -1.650 1.00 0.00 C ATOM 458 CG2 VAL A 64 8.983 -3.786 -0.148 1.00 0.00 C ATOM 0 H VAL A 64 9.150 -1.759 1.677 1.00 0.00 H new ATOM 0 HA VAL A 64 11.745 -2.777 0.564 1.00 0.00 H new ATOM 0 HB VAL A 64 9.501 -2.006 -1.245 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.386 -3.983 -2.469 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.697 -2.855 -2.052 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.468 -4.342 -1.102 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.407 -4.214 -0.968 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.495 -4.584 0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.312 -3.262 0.532 1.00 0.00 H new ATOM 459 N LYS A 65 11.301 0.084 1.112 1.00 0.00 N ATOM 460 CA LYS A 65 11.654 1.511 0.864 1.00 0.00 C ATOM 461 C LYS A 65 12.949 1.575 0.048 1.00 0.00 C ATOM 462 O LYS A 65 13.927 0.928 0.369 1.00 0.00 O ATOM 463 CB LYS A 65 11.862 2.224 2.202 1.00 0.00 C ATOM 464 CG LYS A 65 13.143 1.708 2.861 1.00 0.00 C ATOM 465 CD LYS A 65 12.900 1.493 4.354 1.00 0.00 C ATOM 466 CE LYS A 65 12.214 0.142 4.570 1.00 0.00 C ATOM 467 NZ LYS A 65 12.581 -0.395 5.911 1.00 0.00 N ATOM 0 H LYS A 65 11.164 -0.164 2.092 1.00 0.00 H new ATOM 0 HA LYS A 65 10.848 1.997 0.314 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.929 3.301 2.046 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.008 2.049 2.856 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.453 0.773 2.394 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.953 2.422 2.713 1.00 0.00 H new ATOM 0 HD2 LYS A 65 13.846 1.523 4.895 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.279 2.296 4.752 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.132 0.256 4.496 1.00 0.00 H new ATOM 0 HE3 LYS A 65 12.515 -0.559 3.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.114 -1.313 6.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.612 -0.518 5.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.273 0.271 6.648 1.00 0.00 H new ATOM 468 N GLY A 66 12.964 2.342 -1.009 1.00 0.00 N ATOM 469 CA GLY A 66 14.197 2.435 -1.842 1.00 0.00 C ATOM 470 C GLY A 66 14.446 1.089 -2.527 1.00 0.00 C ATOM 471 O GLY A 66 15.561 0.754 -2.874 1.00 0.00 O ATOM 0 H GLY A 66 12.178 2.907 -1.331 1.00 0.00 H new ATOM 0 HA2 GLY A 66 14.087 3.221 -2.589 1.00 0.00 H new ATOM 0 HA3 GLY A 66 15.051 2.703 -1.220 1.00 0.00 H new ATOM 472 N ARG A 67 13.413 0.315 -2.718 1.00 0.00 N ATOM 473 CA ARG A 67 13.580 -1.014 -3.376 1.00 0.00 C ATOM 474 C ARG A 67 12.265 -1.420 -4.053 1.00 0.00 C ATOM 475 O ARG A 67 12.052 -2.571 -4.380 1.00 0.00 O ATOM 476 CB ARG A 67 13.959 -2.056 -2.320 1.00 0.00 C ATOM 477 CG ARG A 67 15.483 -2.177 -2.252 1.00 0.00 C ATOM 478 CD ARG A 67 15.918 -3.514 -2.853 1.00 0.00 C ATOM 479 NE ARG A 67 17.137 -4.000 -2.149 1.00 0.00 N ATOM 480 CZ ARG A 67 18.319 -3.621 -2.552 1.00 0.00 C ATOM 481 NH1 ARG A 67 18.588 -3.563 -3.827 1.00 0.00 N ATOM 482 NH2 ARG A 67 19.232 -3.303 -1.675 1.00 0.00 N ATOM 0 H ARG A 67 12.457 0.546 -2.446 1.00 0.00 H new ATOM 0 HA ARG A 67 14.367 -0.954 -4.128 1.00 0.00 H new ATOM 0 HB2 ARG A 67 13.562 -1.766 -1.347 1.00 0.00 H new ATOM 0 HB3 ARG A 67 13.517 -3.021 -2.569 1.00 0.00 H new ATOM 0 HG2 ARG A 67 15.948 -1.354 -2.795 1.00 0.00 H new ATOM 0 HG3 ARG A 67 15.818 -2.106 -1.217 1.00 0.00 H new ATOM 0 HD2 ARG A 67 15.115 -4.245 -2.760 1.00 0.00 H new ATOM 0 HD3 ARG A 67 16.122 -3.398 -3.917 1.00 0.00 H new ATOM 0 HE ARG A 67 17.048 -4.629 -1.351 1.00 0.00 H new ATOM 0 HH11 ARG A 67 17.874 -3.814 -4.511 1.00 0.00 H new ATOM 0 HH12 ARG A 67 19.512 -3.267 -4.140 1.00 0.00 H new ATOM 0 HH21 ARG A 67 19.021 -3.351 -0.678 1.00 0.00 H new ATOM 0 HH22 ARG A 67 20.157 -3.006 -1.986 1.00 0.00 H new ATOM 483 N PHE A 68 11.389 -0.477 -4.273 1.00 0.00 N ATOM 484 CA PHE A 68 10.088 -0.787 -4.936 1.00 0.00 C ATOM 485 C PHE A 68 9.957 0.118 -6.163 1.00 0.00 C ATOM 486 O PHE A 68 10.705 1.064 -6.314 1.00 0.00 O ATOM 487 CB PHE A 68 8.946 -0.493 -3.958 1.00 0.00 C ATOM 488 CG PHE A 68 8.367 -1.772 -3.381 1.00 0.00 C ATOM 489 CD1 PHE A 68 8.995 -3.013 -3.571 1.00 0.00 C ATOM 490 CD2 PHE A 68 7.178 -1.706 -2.650 1.00 0.00 C ATOM 491 CE1 PHE A 68 8.426 -4.172 -3.030 1.00 0.00 C ATOM 492 CE2 PHE A 68 6.616 -2.865 -2.109 1.00 0.00 C ATOM 493 CZ PHE A 68 7.238 -4.095 -2.299 1.00 0.00 C ATOM 0 H PHE A 68 11.519 0.503 -4.020 1.00 0.00 H new ATOM 0 HA PHE A 68 10.045 -1.835 -5.233 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.312 0.140 -3.149 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.162 0.065 -4.470 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.915 -3.073 -4.133 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.691 -0.754 -2.502 1.00 0.00 H new ATOM 0 HE1 PHE A 68 8.907 -5.128 -3.178 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.698 -2.806 -1.543 1.00 0.00 H new ATOM 0 HZ PHE A 68 6.802 -4.991 -1.881 1.00 0.00 H new ATOM 494 N THR A 69 9.036 -0.149 -7.053 1.00 0.00 N ATOM 495 CA THR A 69 8.933 0.733 -8.249 1.00 0.00 C ATOM 496 C THR A 69 7.473 1.004 -8.626 1.00 0.00 C ATOM 497 O THR A 69 6.726 0.107 -8.967 1.00 0.00 O ATOM 498 CB THR A 69 9.640 0.063 -9.428 1.00 0.00 C ATOM 499 OG1 THR A 69 9.826 1.012 -10.469 1.00 0.00 O ATOM 500 CG2 THR A 69 8.786 -1.097 -9.938 1.00 0.00 C ATOM 0 H THR A 69 8.368 -0.919 -7.006 1.00 0.00 H new ATOM 0 HA THR A 69 9.404 1.686 -8.010 1.00 0.00 H new ATOM 0 HB THR A 69 10.610 -0.315 -9.106 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.281 0.584 -11.224 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.288 -1.576 -10.779 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.644 -1.824 -9.138 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.816 -0.720 -10.262 1.00 0.00 H new ATOM 501 N ILE A 70 7.081 2.251 -8.608 1.00 0.00 N ATOM 502 CA ILE A 70 5.694 2.620 -9.010 1.00 0.00 C ATOM 503 C ILE A 70 5.658 2.640 -10.539 1.00 0.00 C ATOM 504 O ILE A 70 5.819 3.672 -11.159 1.00 0.00 O ATOM 505 CB ILE A 70 5.370 4.004 -8.460 1.00 0.00 C ATOM 506 CG1 ILE A 70 3.977 4.432 -8.920 1.00 0.00 C ATOM 507 CG2 ILE A 70 6.404 4.989 -8.982 1.00 0.00 C ATOM 508 CD1 ILE A 70 2.914 3.700 -8.104 1.00 0.00 C ATOM 0 H ILE A 70 7.669 3.036 -8.329 1.00 0.00 H new ATOM 0 HA ILE A 70 4.963 1.911 -8.621 1.00 0.00 H new ATOM 0 HB ILE A 70 5.391 3.983 -7.370 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.860 5.509 -8.802 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.850 4.211 -9.980 1.00 0.00 H new ATOM 0 HG21 ILE A 70 6.185 5.985 -8.597 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.397 4.683 -8.653 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.372 5.007 -10.071 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.923 4.009 -8.437 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.024 2.625 -8.244 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.035 3.943 -7.048 1.00 0.00 H new ATOM 509 N SER A 71 5.482 1.499 -11.156 1.00 0.00 N ATOM 510 CA SER A 71 5.474 1.455 -12.649 1.00 0.00 C ATOM 511 C SER A 71 4.080 1.799 -13.160 1.00 0.00 C ATOM 512 O SER A 71 3.098 1.566 -12.492 1.00 0.00 O ATOM 513 CB SER A 71 5.859 0.048 -13.115 1.00 0.00 C ATOM 514 OG SER A 71 7.131 0.098 -13.749 1.00 0.00 O ATOM 0 H SER A 71 5.344 0.601 -10.693 1.00 0.00 H new ATOM 0 HA SER A 71 6.190 2.177 -13.041 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.889 -0.634 -12.265 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.109 -0.337 -13.806 1.00 0.00 H new ATOM 0 HG SER A 71 7.383 -0.801 -14.048 1.00 0.00 H new ATOM 515 N ARG A 72 3.957 2.350 -14.337 1.00 0.00 N ATOM 516 CA ARG A 72 2.588 2.661 -14.806 1.00 0.00 C ATOM 517 C ARG A 72 2.328 2.031 -16.175 1.00 0.00 C ATOM 518 O ARG A 72 3.176 1.391 -16.765 1.00 0.00 O ATOM 519 CB ARG A 72 2.296 4.168 -14.951 1.00 0.00 C ATOM 520 CG ARG A 72 2.251 4.947 -13.624 1.00 0.00 C ATOM 521 CD ARG A 72 3.218 4.396 -12.598 1.00 0.00 C ATOM 522 NE ARG A 72 3.559 5.491 -11.648 1.00 0.00 N ATOM 523 CZ ARG A 72 4.498 6.345 -11.953 1.00 0.00 C ATOM 524 NH1 ARG A 72 4.958 6.403 -13.176 1.00 0.00 N ATOM 525 NH2 ARG A 72 4.977 7.141 -11.039 1.00 0.00 N ATOM 0 H ARG A 72 4.719 2.590 -14.971 1.00 0.00 H new ATOM 0 HA ARG A 72 1.938 2.252 -14.033 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.059 4.612 -15.591 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.341 4.291 -15.461 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.484 5.995 -13.813 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.239 4.913 -13.220 1.00 0.00 H new ATOM 0 HD2 ARG A 72 2.771 3.556 -12.066 1.00 0.00 H new ATOM 0 HD3 ARG A 72 4.118 4.021 -13.086 1.00 0.00 H new ATOM 0 HE ARG A 72 3.060 5.573 -10.762 1.00 0.00 H new ATOM 0 HH11 ARG A 72 4.583 5.781 -13.892 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.692 7.070 -13.414 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.618 7.097 -10.085 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.711 7.808 -11.277 1.00 0.00 H new ATOM 526 N ASP A 73 1.145 2.250 -16.683 1.00 0.00 N ATOM 527 CA ASP A 73 0.759 1.728 -18.016 1.00 0.00 C ATOM 528 C ASP A 73 -0.186 2.769 -18.635 1.00 0.00 C ATOM 529 O ASP A 73 -1.397 2.612 -18.667 1.00 0.00 O ATOM 530 CB ASP A 73 0.069 0.370 -17.853 1.00 0.00 C ATOM 531 CG ASP A 73 0.736 -0.661 -18.767 1.00 0.00 C ATOM 532 OD1 ASP A 73 1.945 -0.804 -18.681 1.00 0.00 O ATOM 533 OD2 ASP A 73 0.028 -1.291 -19.535 1.00 0.00 O ATOM 0 H ASP A 73 0.414 2.784 -16.213 1.00 0.00 H new ATOM 0 HA ASP A 73 1.623 1.574 -18.662 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.129 0.043 -16.815 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.989 0.457 -18.099 1.00 0.00 H new ATOM 534 N ASN A 74 0.393 3.858 -19.072 1.00 0.00 N ATOM 535 CA ASN A 74 -0.371 5.000 -19.659 1.00 0.00 C ATOM 536 C ASN A 74 -1.479 4.544 -20.615 1.00 0.00 C ATOM 537 O ASN A 74 -2.652 4.684 -20.327 1.00 0.00 O ATOM 538 CB ASN A 74 0.607 5.879 -20.438 1.00 0.00 C ATOM 539 CG ASN A 74 0.083 7.315 -20.489 1.00 0.00 C ATOM 540 OD1 ASN A 74 -0.648 7.740 -19.616 1.00 0.00 O ATOM 541 ND2 ASN A 74 0.428 8.088 -21.484 1.00 0.00 N ATOM 0 H ASN A 74 1.402 4.007 -19.044 1.00 0.00 H new ATOM 0 HA ASN A 74 -0.845 5.539 -18.839 1.00 0.00 H new ATOM 0 HB2 ASN A 74 1.588 5.857 -19.964 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.733 5.492 -21.449 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.084 9.047 -21.528 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.041 7.732 -22.217 1.00 0.00 H new ATOM 542 N SER A 75 -1.120 4.051 -21.774 1.00 0.00 N ATOM 543 CA SER A 75 -2.155 3.643 -22.771 1.00 0.00 C ATOM 544 C SER A 75 -2.715 2.257 -22.447 1.00 0.00 C ATOM 545 O SER A 75 -2.933 1.450 -23.328 1.00 0.00 O ATOM 546 CB SER A 75 -1.530 3.617 -24.166 1.00 0.00 C ATOM 547 OG SER A 75 -1.650 4.903 -24.757 1.00 0.00 O ATOM 0 H SER A 75 -0.154 3.914 -22.072 1.00 0.00 H new ATOM 0 HA SER A 75 -2.971 4.364 -22.734 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.480 3.330 -24.102 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.027 2.871 -24.786 1.00 0.00 H new ATOM 0 HG SER A 75 -1.249 4.891 -25.651 1.00 0.00 H new ATOM 548 N LYS A 76 -2.963 1.976 -21.201 1.00 0.00 N ATOM 549 CA LYS A 76 -3.521 0.647 -20.844 1.00 0.00 C ATOM 550 C LYS A 76 -4.514 0.809 -19.690 1.00 0.00 C ATOM 551 O LYS A 76 -4.956 -0.156 -19.098 1.00 0.00 O ATOM 552 CB LYS A 76 -2.381 -0.281 -20.432 1.00 0.00 C ATOM 553 CG LYS A 76 -1.284 -0.242 -21.500 1.00 0.00 C ATOM 554 CD LYS A 76 -0.262 0.844 -21.151 1.00 0.00 C ATOM 555 CE LYS A 76 1.124 0.401 -21.620 1.00 0.00 C ATOM 556 NZ LYS A 76 1.772 1.509 -22.377 1.00 0.00 N ATOM 0 H LYS A 76 -2.804 2.608 -20.416 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.040 0.217 -21.701 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.977 0.027 -19.468 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.751 -1.299 -20.312 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.791 -1.212 -21.564 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.722 -0.042 -22.478 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.537 1.785 -21.628 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.255 1.022 -20.076 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.738 0.124 -20.763 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.040 -0.484 -22.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.715 1.207 -22.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.189 1.753 -23.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.865 2.342 -21.761 1.00 0.00 H new ATOM 557 N ASN A 77 -4.879 2.025 -19.379 1.00 0.00 N ATOM 558 CA ASN A 77 -5.845 2.258 -18.291 1.00 0.00 C ATOM 559 C ASN A 77 -5.288 1.767 -16.959 1.00 0.00 C ATOM 560 O ASN A 77 -6.028 1.308 -16.120 1.00 0.00 O ATOM 561 CB ASN A 77 -7.150 1.521 -18.603 1.00 0.00 C ATOM 562 CG ASN A 77 -7.831 2.176 -19.806 1.00 0.00 C ATOM 563 OD1 ASN A 77 -8.424 3.229 -19.685 1.00 0.00 O ATOM 564 ND2 ASN A 77 -7.770 1.591 -20.972 1.00 0.00 N ATOM 0 H ASN A 77 -4.540 2.868 -19.843 1.00 0.00 H new ATOM 0 HA ASN A 77 -6.033 3.329 -18.214 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.946 0.471 -18.814 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.812 1.549 -17.737 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.220 2.018 -21.781 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -7.272 0.707 -21.073 1.00 0.00 H new ATOM 565 N THR A 78 -4.007 1.867 -16.719 1.00 0.00 N ATOM 566 CA THR A 78 -3.521 1.415 -15.391 1.00 0.00 C ATOM 567 C THR A 78 -2.014 1.561 -15.265 1.00 0.00 C ATOM 568 O THR A 78 -1.301 1.702 -16.230 1.00 0.00 O ATOM 569 CB THR A 78 -3.904 -0.047 -15.194 1.00 0.00 C ATOM 570 OG1 THR A 78 -3.150 -0.596 -14.125 1.00 0.00 O ATOM 571 CG2 THR A 78 -3.619 -0.825 -16.479 1.00 0.00 C ATOM 0 H THR A 78 -3.302 2.229 -17.361 1.00 0.00 H new ATOM 0 HA THR A 78 -3.984 2.040 -14.627 1.00 0.00 H new ATOM 0 HB THR A 78 -4.966 -0.116 -14.957 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.641 -1.369 -14.447 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.892 -1.871 -16.339 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.203 -0.403 -17.297 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.558 -0.756 -16.718 1.00 0.00 H new ATOM 572 N LEU A 79 -1.540 1.515 -14.055 1.00 0.00 N ATOM 573 CA LEU A 79 -0.100 1.621 -13.795 1.00 0.00 C ATOM 574 C LEU A 79 0.287 0.397 -12.956 1.00 0.00 C ATOM 575 O LEU A 79 -0.515 -0.097 -12.209 1.00 0.00 O ATOM 576 CB LEU A 79 0.159 2.917 -13.034 1.00 0.00 C ATOM 577 CG LEU A 79 -0.715 2.934 -11.812 1.00 0.00 C ATOM 578 CD1 LEU A 79 -0.042 3.756 -10.715 1.00 0.00 C ATOM 579 CD2 LEU A 79 -2.074 3.532 -12.176 1.00 0.00 C ATOM 0 H LEU A 79 -2.115 1.405 -13.219 1.00 0.00 H new ATOM 0 HA LEU A 79 0.490 1.643 -14.711 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.209 2.986 -12.750 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.057 3.778 -13.667 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.863 1.919 -11.444 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.676 3.768 -9.829 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.921 3.311 -10.466 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.110 4.777 -11.066 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.713 3.547 -11.293 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.937 4.549 -12.543 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.542 2.926 -12.952 1.00 0.00 H new ATOM 580 N TYR A 80 1.463 -0.144 -13.108 1.00 0.00 N ATOM 581 CA TYR A 80 1.789 -1.392 -12.349 1.00 0.00 C ATOM 582 C TYR A 80 2.768 -1.155 -11.204 1.00 0.00 C ATOM 583 O TYR A 80 3.295 -0.084 -11.010 1.00 0.00 O ATOM 584 CB TYR A 80 2.396 -2.400 -13.324 1.00 0.00 C ATOM 585 CG TYR A 80 1.359 -2.815 -14.343 1.00 0.00 C ATOM 586 CD1 TYR A 80 0.661 -1.847 -15.087 1.00 0.00 C ATOM 587 CD2 TYR A 80 1.098 -4.173 -14.545 1.00 0.00 C ATOM 588 CE1 TYR A 80 -0.294 -2.249 -16.028 1.00 0.00 C ATOM 589 CE2 TYR A 80 0.142 -4.571 -15.487 1.00 0.00 C ATOM 590 CZ TYR A 80 -0.553 -3.609 -16.228 1.00 0.00 C ATOM 591 OH TYR A 80 -1.494 -4.002 -17.156 1.00 0.00 O ATOM 0 H TYR A 80 2.203 0.213 -13.712 1.00 0.00 H new ATOM 0 HA TYR A 80 0.865 -1.763 -11.905 1.00 0.00 H new ATOM 0 HB2 TYR A 80 3.257 -1.960 -13.827 1.00 0.00 H new ATOM 0 HB3 TYR A 80 2.756 -3.274 -12.781 1.00 0.00 H new ATOM 0 HD1 TYR A 80 0.861 -0.797 -14.933 1.00 0.00 H new ATOM 0 HD2 TYR A 80 1.634 -4.916 -13.974 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -0.832 -1.508 -16.601 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -0.059 -5.621 -15.642 1.00 0.00 H new ATOM 0 HH TYR A 80 -1.550 -4.980 -17.171 1.00 0.00 H new ATOM 592 N LEU A 81 3.007 -2.181 -10.440 1.00 0.00 N ATOM 593 CA LEU A 81 3.946 -2.062 -9.298 1.00 0.00 C ATOM 594 C LEU A 81 4.874 -3.258 -9.273 1.00 0.00 C ATOM 595 O LEU A 81 4.443 -4.377 -9.047 1.00 0.00 O ATOM 596 CB LEU A 81 3.186 -2.099 -7.973 1.00 0.00 C ATOM 597 CG LEU A 81 2.683 -0.721 -7.571 1.00 0.00 C ATOM 598 CD1 LEU A 81 2.527 -0.664 -6.044 1.00 0.00 C ATOM 599 CD2 LEU A 81 3.665 0.366 -7.965 1.00 0.00 C ATOM 0 H LEU A 81 2.588 -3.103 -10.560 1.00 0.00 H new ATOM 0 HA LEU A 81 4.489 -1.124 -9.417 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.342 -2.784 -8.057 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.837 -2.490 -7.191 1.00 0.00 H new ATOM 0 HG LEU A 81 1.734 -0.556 -8.080 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.167 0.322 -5.752 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.812 -1.422 -5.723 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.492 -0.852 -5.572 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.273 1.337 -7.663 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.620 0.190 -7.471 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.808 0.353 -9.046 1.00 0.00 H new ATOM 600 N GLN A 82 6.141 -3.036 -9.422 1.00 0.00 N ATOM 601 CA GLN A 82 7.078 -4.165 -9.303 1.00 0.00 C ATOM 602 C GLN A 82 7.534 -4.124 -7.843 1.00 0.00 C ATOM 603 O GLN A 82 8.341 -3.295 -7.460 1.00 0.00 O ATOM 604 CB GLN A 82 8.272 -3.988 -10.244 1.00 0.00 C ATOM 605 CG GLN A 82 7.812 -3.304 -11.532 1.00 0.00 C ATOM 606 CD GLN A 82 7.039 -4.309 -12.390 1.00 0.00 C ATOM 607 OE1 GLN A 82 6.768 -5.411 -11.956 1.00 0.00 O ATOM 608 NE2 GLN A 82 6.672 -3.976 -13.598 1.00 0.00 N ATOM 0 H GLN A 82 6.563 -2.129 -9.619 1.00 0.00 H new ATOM 0 HA GLN A 82 6.617 -5.115 -9.573 1.00 0.00 H new ATOM 0 HB2 GLN A 82 9.045 -3.391 -9.759 1.00 0.00 H new ATOM 0 HB3 GLN A 82 8.715 -4.957 -10.473 1.00 0.00 H new ATOM 0 HG2 GLN A 82 7.180 -2.447 -11.297 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.672 -2.924 -12.083 1.00 0.00 H new ATOM 0 HE21 GLN A 82 6.899 -3.051 -13.963 1.00 0.00 H new ATOM 0 HE22 GLN A 82 6.158 -4.641 -14.176 1.00 0.00 H new ATOM 609 N MET A 83 6.971 -4.954 -7.007 1.00 0.00 N ATOM 610 CA MET A 83 7.331 -4.893 -5.555 1.00 0.00 C ATOM 611 C MET A 83 7.867 -6.245 -5.069 1.00 0.00 C ATOM 612 O MET A 83 7.121 -7.104 -4.642 1.00 0.00 O ATOM 613 CB MET A 83 6.087 -4.497 -4.723 1.00 0.00 C ATOM 614 CG MET A 83 4.803 -4.600 -5.550 1.00 0.00 C ATOM 615 SD MET A 83 3.418 -4.989 -4.446 1.00 0.00 S ATOM 616 CE MET A 83 2.185 -3.932 -5.247 1.00 0.00 C ATOM 0 H MET A 83 6.285 -5.665 -7.259 1.00 0.00 H new ATOM 0 HA MET A 83 8.112 -4.144 -5.425 1.00 0.00 H new ATOM 0 HB2 MET A 83 6.011 -5.144 -3.849 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.203 -3.478 -4.355 1.00 0.00 H new ATOM 0 HG2 MET A 83 4.616 -3.662 -6.073 1.00 0.00 H new ATOM 0 HG3 MET A 83 4.906 -5.374 -6.311 1.00 0.00 H new ATOM 0 HE1 MET A 83 1.820 -3.194 -4.533 1.00 0.00 H new ATOM 0 HE2 MET A 83 2.640 -3.422 -6.096 1.00 0.00 H new ATOM 0 HE3 MET A 83 1.352 -4.543 -5.595 1.00 0.00 H new ATOM 617 N ASN A 84 9.163 -6.433 -5.120 1.00 0.00 N ATOM 618 CA ASN A 84 9.759 -7.724 -4.660 1.00 0.00 C ATOM 619 C ASN A 84 10.117 -7.636 -3.172 1.00 0.00 C ATOM 620 O ASN A 84 9.488 -6.932 -2.409 1.00 0.00 O ATOM 621 CB ASN A 84 11.031 -8.014 -5.466 1.00 0.00 C ATOM 622 CG ASN A 84 12.159 -7.090 -5.001 1.00 0.00 C ATOM 623 OD1 ASN A 84 11.923 -5.944 -4.671 1.00 0.00 O ATOM 624 ND2 ASN A 84 13.383 -7.541 -4.962 1.00 0.00 N ATOM 0 H ASN A 84 9.835 -5.746 -5.461 1.00 0.00 H new ATOM 0 HA ASN A 84 9.034 -8.524 -4.810 1.00 0.00 H new ATOM 0 HB2 ASN A 84 11.325 -9.056 -5.337 1.00 0.00 H new ATOM 0 HB3 ASN A 84 10.841 -7.865 -6.529 1.00 0.00 H new ATOM 0 HD21 ASN A 84 14.141 -6.932 -4.655 1.00 0.00 H new ATOM 0 HD22 ASN A 84 13.581 -8.502 -5.239 1.00 0.00 H new ATOM 625 N SER A 85 11.124 -8.357 -2.754 1.00 0.00 N ATOM 626 CA SER A 85 11.530 -8.320 -1.318 1.00 0.00 C ATOM 627 C SER A 85 10.578 -9.182 -0.477 1.00 0.00 C ATOM 628 O SER A 85 10.834 -9.452 0.680 1.00 0.00 O ATOM 629 CB SER A 85 11.500 -6.871 -0.820 1.00 0.00 C ATOM 630 OG SER A 85 10.435 -6.707 0.110 1.00 0.00 O ATOM 0 H SER A 85 11.684 -8.971 -3.346 1.00 0.00 H new ATOM 0 HA SER A 85 12.540 -8.718 -1.219 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.450 -6.618 -0.349 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.370 -6.190 -1.661 1.00 0.00 H new ATOM 0 HG SER A 85 9.581 -6.694 -0.370 1.00 0.00 H new ATOM 631 N LEU A 86 9.483 -9.615 -1.046 1.00 0.00 N ATOM 632 CA LEU A 86 8.521 -10.459 -0.282 1.00 0.00 C ATOM 633 C LEU A 86 9.251 -11.689 0.278 1.00 0.00 C ATOM 634 O LEU A 86 10.463 -11.721 0.335 1.00 0.00 O ATOM 635 CB LEU A 86 7.400 -10.901 -1.223 1.00 0.00 C ATOM 636 CG LEU A 86 6.409 -9.749 -1.451 1.00 0.00 C ATOM 637 CD1 LEU A 86 5.437 -9.675 -0.272 1.00 0.00 C ATOM 638 CD2 LEU A 86 7.160 -8.412 -1.577 1.00 0.00 C ATOM 0 H LEU A 86 9.214 -9.419 -2.010 1.00 0.00 H new ATOM 0 HA LEU A 86 8.100 -9.890 0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.821 -11.221 -2.176 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.879 -11.760 -0.800 1.00 0.00 H new ATOM 0 HG LEU A 86 5.860 -9.934 -2.374 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.733 -8.858 -0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.891 -10.615 -0.191 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.994 -9.499 0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.444 -7.606 -1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.720 -8.222 -0.662 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.849 -8.460 -2.421 1.00 0.00 H new ATOM 639 N ARG A 87 8.533 -12.701 0.705 1.00 0.00 N ATOM 640 CA ARG A 87 9.224 -13.901 1.267 1.00 0.00 C ATOM 641 C ARG A 87 8.471 -15.192 0.921 1.00 0.00 C ATOM 642 O ARG A 87 8.516 -16.149 1.667 1.00 0.00 O ATOM 643 CB ARG A 87 9.323 -13.761 2.789 1.00 0.00 C ATOM 644 CG ARG A 87 8.004 -14.176 3.448 1.00 0.00 C ATOM 645 CD ARG A 87 7.959 -13.644 4.880 1.00 0.00 C ATOM 646 NE ARG A 87 6.761 -14.190 5.578 1.00 0.00 N ATOM 647 CZ ARG A 87 6.408 -13.716 6.742 1.00 0.00 C ATOM 648 NH1 ARG A 87 6.962 -12.626 7.201 1.00 0.00 N ATOM 649 NH2 ARG A 87 5.497 -14.331 7.447 1.00 0.00 N ATOM 0 H ARG A 87 7.514 -12.747 0.689 1.00 0.00 H new ATOM 0 HA ARG A 87 10.220 -13.960 0.828 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.136 -14.381 3.166 1.00 0.00 H new ATOM 0 HB3 ARG A 87 9.560 -12.730 3.052 1.00 0.00 H new ATOM 0 HG2 ARG A 87 7.162 -13.785 2.877 1.00 0.00 H new ATOM 0 HG3 ARG A 87 7.912 -15.262 3.449 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.865 -13.930 5.414 1.00 0.00 H new ATOM 0 HD3 ARG A 87 7.924 -12.555 4.873 1.00 0.00 H new ATOM 0 HE ARG A 87 6.216 -14.936 5.145 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.672 -12.144 6.650 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.685 -12.257 8.111 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.062 -15.181 7.088 1.00 0.00 H new ATOM 0 HH22 ARG A 87 5.220 -13.962 8.357 1.00 0.00 H new ATOM 650 N ALA A 88 7.792 -15.242 -0.192 1.00 0.00 N ATOM 651 CA ALA A 88 7.058 -16.498 -0.545 1.00 0.00 C ATOM 652 C ALA A 88 6.348 -17.051 0.689 1.00 0.00 C ATOM 653 O ALA A 88 6.277 -18.246 0.894 1.00 0.00 O ATOM 654 CB ALA A 88 8.047 -17.541 -1.056 1.00 0.00 C ATOM 0 H ALA A 88 7.712 -14.481 -0.866 1.00 0.00 H new ATOM 0 HA ALA A 88 6.323 -16.273 -1.318 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.512 -18.455 -1.313 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.555 -17.158 -1.941 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.782 -17.757 -0.280 1.00 0.00 H new ATOM 655 N GLU A 89 5.828 -16.195 1.517 1.00 0.00 N ATOM 656 CA GLU A 89 5.133 -16.677 2.738 1.00 0.00 C ATOM 657 C GLU A 89 4.452 -15.495 3.429 1.00 0.00 C ATOM 658 O GLU A 89 4.285 -15.475 4.633 1.00 0.00 O ATOM 659 CB GLU A 89 6.159 -17.308 3.677 1.00 0.00 C ATOM 660 CG GLU A 89 5.877 -18.806 3.807 1.00 0.00 C ATOM 661 CD GLU A 89 6.406 -19.310 5.153 1.00 0.00 C ATOM 662 OE1 GLU A 89 6.517 -18.505 6.062 1.00 0.00 O ATOM 663 OE2 GLU A 89 6.690 -20.492 5.250 1.00 0.00 O ATOM 0 H GLU A 89 5.854 -15.182 1.402 1.00 0.00 H new ATOM 0 HA GLU A 89 4.380 -17.419 2.473 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.166 -17.149 3.292 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.113 -16.832 4.656 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.806 -18.993 3.732 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.353 -19.349 2.991 1.00 0.00 H new ATOM 664 N ASP A 90 4.056 -14.514 2.668 1.00 0.00 N ATOM 665 CA ASP A 90 3.381 -13.325 3.259 1.00 0.00 C ATOM 666 C ASP A 90 2.561 -12.635 2.172 1.00 0.00 C ATOM 667 O ASP A 90 2.666 -11.443 1.960 1.00 0.00 O ATOM 668 CB ASP A 90 4.429 -12.349 3.798 1.00 0.00 C ATOM 669 CG ASP A 90 5.343 -11.903 2.655 1.00 0.00 C ATOM 670 OD1 ASP A 90 5.681 -12.737 1.832 1.00 0.00 O ATOM 671 OD2 ASP A 90 5.688 -10.733 2.622 1.00 0.00 O ATOM 0 H ASP A 90 4.172 -14.484 1.655 1.00 0.00 H new ATOM 0 HA ASP A 90 2.732 -13.640 4.076 1.00 0.00 H new ATOM 0 HB2 ASP A 90 3.940 -11.484 4.246 1.00 0.00 H new ATOM 0 HB3 ASP A 90 5.016 -12.825 4.583 1.00 0.00 H new ATOM 672 N THR A 91 1.737 -13.375 1.485 1.00 0.00 N ATOM 673 CA THR A 91 0.905 -12.761 0.418 1.00 0.00 C ATOM 674 C THR A 91 0.278 -11.488 0.989 1.00 0.00 C ATOM 675 O THR A 91 0.097 -11.372 2.182 1.00 0.00 O ATOM 676 CB THR A 91 -0.169 -13.768 -0.008 1.00 0.00 C ATOM 677 OG1 THR A 91 0.460 -14.876 -0.636 1.00 0.00 O ATOM 678 CG2 THR A 91 -1.151 -13.123 -0.985 1.00 0.00 C ATOM 0 H THR A 91 1.605 -14.378 1.617 1.00 0.00 H new ATOM 0 HA THR A 91 1.499 -12.504 -0.459 1.00 0.00 H new ATOM 0 HB THR A 91 -0.719 -14.096 0.874 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.019 -15.699 -0.404 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.906 -13.853 -1.277 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.635 -12.272 -0.506 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.613 -12.784 -1.870 1.00 0.00 H new ATOM 679 N ALA A 92 -0.023 -10.516 0.171 1.00 0.00 N ATOM 680 CA ALA A 92 -0.598 -9.256 0.726 1.00 0.00 C ATOM 681 C ALA A 92 -1.846 -8.829 -0.050 1.00 0.00 C ATOM 682 O ALA A 92 -2.229 -9.437 -1.030 1.00 0.00 O ATOM 683 CB ALA A 92 0.452 -8.146 0.637 1.00 0.00 C ATOM 0 H ALA A 92 0.101 -10.537 -0.841 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.881 -9.433 1.764 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.039 -7.222 1.041 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.333 -8.432 1.212 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.733 -7.993 -0.405 1.00 0.00 H new ATOM 684 N VAL A 93 -2.465 -7.761 0.384 1.00 0.00 N ATOM 685 CA VAL A 93 -3.675 -7.241 -0.309 1.00 0.00 C ATOM 686 C VAL A 93 -3.490 -5.725 -0.420 1.00 0.00 C ATOM 687 O VAL A 93 -2.977 -5.106 0.478 1.00 0.00 O ATOM 688 CB VAL A 93 -4.925 -7.591 0.501 1.00 0.00 C ATOM 689 CG1 VAL A 93 -6.129 -6.827 -0.049 1.00 0.00 C ATOM 690 CG2 VAL A 93 -5.193 -9.096 0.391 1.00 0.00 C ATOM 0 H VAL A 93 -2.177 -7.222 1.201 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.800 -7.682 -1.298 1.00 0.00 H new ATOM 0 HB VAL A 93 -4.767 -7.316 1.544 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.016 -7.080 0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -5.943 -5.755 0.021 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.288 -7.100 -1.092 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.083 -9.350 0.967 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.349 -9.362 -0.654 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.338 -9.647 0.782 1.00 0.00 H new ATOM 691 N TYR A 94 -3.847 -5.113 -1.514 1.00 0.00 N ATOM 692 CA TYR A 94 -3.590 -3.644 -1.628 1.00 0.00 C ATOM 693 C TYR A 94 -4.853 -2.883 -2.057 1.00 0.00 C ATOM 694 O TYR A 94 -5.768 -3.443 -2.621 1.00 0.00 O ATOM 695 CB TYR A 94 -2.504 -3.429 -2.691 1.00 0.00 C ATOM 696 CG TYR A 94 -1.303 -4.302 -2.431 1.00 0.00 C ATOM 697 CD1 TYR A 94 -0.890 -4.576 -1.124 1.00 0.00 C ATOM 698 CD2 TYR A 94 -0.586 -4.817 -3.512 1.00 0.00 C ATOM 699 CE1 TYR A 94 0.236 -5.369 -0.896 1.00 0.00 C ATOM 700 CE2 TYR A 94 0.542 -5.611 -3.286 1.00 0.00 C ATOM 701 CZ TYR A 94 0.954 -5.889 -1.977 1.00 0.00 C ATOM 702 OH TYR A 94 2.068 -6.673 -1.755 1.00 0.00 O ATOM 0 H TYR A 94 -4.296 -5.550 -2.319 1.00 0.00 H new ATOM 0 HA TYR A 94 -3.278 -3.267 -0.654 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.910 -3.650 -3.678 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.201 -2.382 -2.698 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -1.443 -4.173 -0.289 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -0.902 -4.602 -4.522 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.552 -5.581 0.115 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.097 -6.011 -4.122 1.00 0.00 H new ATOM 0 HH TYR A 94 2.812 -6.347 -2.303 1.00 0.00 H new ATOM 703 N TYR A 95 -4.893 -1.593 -1.816 1.00 0.00 N ATOM 704 CA TYR A 95 -6.075 -0.791 -2.234 1.00 0.00 C ATOM 705 C TYR A 95 -5.588 0.545 -2.781 1.00 0.00 C ATOM 706 O TYR A 95 -4.992 1.333 -2.074 1.00 0.00 O ATOM 707 CB TYR A 95 -6.990 -0.556 -1.041 1.00 0.00 C ATOM 708 CG TYR A 95 -7.727 -1.829 -0.738 1.00 0.00 C ATOM 709 CD1 TYR A 95 -7.053 -2.887 -0.127 1.00 0.00 C ATOM 710 CD2 TYR A 95 -9.079 -1.958 -1.078 1.00 0.00 C ATOM 711 CE1 TYR A 95 -7.731 -4.081 0.146 1.00 0.00 C ATOM 712 CE2 TYR A 95 -9.758 -3.149 -0.803 1.00 0.00 C ATOM 713 CZ TYR A 95 -9.083 -4.212 -0.192 1.00 0.00 C ATOM 714 OH TYR A 95 -9.751 -5.390 0.076 1.00 0.00 O ATOM 0 H TYR A 95 -4.156 -1.066 -1.348 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.633 -1.327 -3.002 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.408 -0.242 -0.175 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.695 0.246 -1.259 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -6.010 -2.785 0.135 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -9.597 -1.138 -1.553 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.211 -4.901 0.618 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -10.802 -3.249 -1.062 1.00 0.00 H new ATOM 0 HH TYR A 95 -10.682 -5.313 -0.221 1.00 0.00 H new ATOM 715 N CYS A 96 -5.804 0.796 -4.041 1.00 0.00 N ATOM 716 CA CYS A 96 -5.313 2.066 -4.634 1.00 0.00 C ATOM 717 C CYS A 96 -5.738 3.273 -3.795 1.00 0.00 C ATOM 718 O CYS A 96 -6.307 3.137 -2.732 1.00 0.00 O ATOM 719 CB CYS A 96 -5.845 2.241 -6.056 1.00 0.00 C ATOM 720 SG CYS A 96 -5.167 0.981 -7.170 1.00 0.00 S ATOM 0 H CYS A 96 -6.298 0.177 -4.683 1.00 0.00 H new ATOM 0 HA CYS A 96 -4.225 2.011 -4.654 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -6.933 2.177 -6.050 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -5.586 3.233 -6.425 1.00 0.00 H new ATOM 721 N ALA A 97 -5.454 4.462 -4.282 1.00 0.00 N ATOM 722 CA ALA A 97 -5.833 5.700 -3.518 1.00 0.00 C ATOM 723 C ALA A 97 -5.017 6.913 -4.006 1.00 0.00 C ATOM 724 O ALA A 97 -3.813 6.940 -3.890 1.00 0.00 O ATOM 725 CB ALA A 97 -5.529 5.484 -2.036 1.00 0.00 C ATOM 0 H ALA A 97 -4.979 4.629 -5.169 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.894 5.892 -3.675 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.801 6.378 -1.475 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.104 4.635 -1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.465 5.285 -1.908 1.00 0.00 H new ATOM 726 N ARG A 98 -5.660 7.932 -4.520 1.00 0.00 N ATOM 727 CA ARG A 98 -4.900 9.130 -4.991 1.00 0.00 C ATOM 728 C ARG A 98 -4.638 10.074 -3.822 1.00 0.00 C ATOM 729 O ARG A 98 -4.867 9.738 -2.681 1.00 0.00 O ATOM 730 CB ARG A 98 -5.695 9.874 -6.056 1.00 0.00 C ATOM 731 CG ARG A 98 -5.442 9.241 -7.422 1.00 0.00 C ATOM 732 CD ARG A 98 -6.468 9.783 -8.410 1.00 0.00 C ATOM 733 NE ARG A 98 -5.780 10.291 -9.628 1.00 0.00 N ATOM 734 CZ ARG A 98 -6.311 11.263 -10.320 1.00 0.00 C ATOM 735 NH1 ARG A 98 -7.531 11.655 -10.069 1.00 0.00 N ATOM 736 NH2 ARG A 98 -5.622 11.845 -11.262 1.00 0.00 N ATOM 0 H ARG A 98 -6.672 7.986 -4.633 1.00 0.00 H new ATOM 0 HA ARG A 98 -3.953 8.793 -5.413 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.759 9.840 -5.820 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.406 10.925 -6.072 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -4.432 9.469 -7.763 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.518 8.156 -7.355 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.174 8.998 -8.681 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.044 10.584 -7.947 1.00 0.00 H new ATOM 0 HE ARG A 98 -4.894 9.880 -9.922 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -8.071 11.202 -9.332 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -7.944 12.414 -10.610 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -4.668 11.541 -11.458 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -6.037 12.604 -11.802 1.00 0.00 H new ATOM 737 N LEU A 99 -4.148 11.253 -4.104 1.00 0.00 N ATOM 738 CA LEU A 99 -3.854 12.228 -3.014 1.00 0.00 C ATOM 739 C LEU A 99 -3.202 13.479 -3.609 1.00 0.00 C ATOM 740 O LEU A 99 -2.122 13.417 -4.158 1.00 0.00 O ATOM 741 CB LEU A 99 -2.903 11.594 -1.991 1.00 0.00 C ATOM 742 CG LEU A 99 -1.508 11.410 -2.603 1.00 0.00 C ATOM 743 CD1 LEU A 99 -0.655 10.554 -1.667 1.00 0.00 C ATOM 744 CD2 LEU A 99 -1.621 10.707 -3.958 1.00 0.00 C ATOM 0 H LEU A 99 -3.938 11.583 -5.046 1.00 0.00 H new ATOM 0 HA LEU A 99 -4.785 12.502 -2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.838 12.225 -1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.296 10.630 -1.668 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.046 12.388 -2.740 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.337 10.421 -2.099 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -0.567 11.049 -0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.126 9.580 -1.534 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.627 10.580 -4.386 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.086 9.730 -3.823 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -2.231 11.310 -4.631 1.00 0.00 H new ATOM 745 N LYS A 100 -3.848 14.611 -3.491 1.00 0.00 N ATOM 746 CA LYS A 100 -3.266 15.880 -4.041 1.00 0.00 C ATOM 747 C LYS A 100 -4.365 16.919 -4.314 1.00 0.00 C ATOM 748 O LYS A 100 -4.080 17.992 -4.809 1.00 0.00 O ATOM 749 CB LYS A 100 -2.535 15.598 -5.358 1.00 0.00 C ATOM 750 CG LYS A 100 -3.379 14.656 -6.218 1.00 0.00 C ATOM 751 CD LYS A 100 -3.125 14.949 -7.700 1.00 0.00 C ATOM 752 CE LYS A 100 -4.112 16.010 -8.190 1.00 0.00 C ATOM 753 NZ LYS A 100 -3.388 17.035 -8.994 1.00 0.00 N ATOM 0 H LYS A 100 -4.756 14.715 -3.037 1.00 0.00 H new ATOM 0 HA LYS A 100 -2.572 16.272 -3.298 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -2.353 16.531 -5.892 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -1.562 15.150 -5.157 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.128 13.619 -5.993 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -4.436 14.785 -5.987 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -2.102 15.297 -7.842 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.236 14.036 -8.286 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -4.892 15.545 -8.793 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.605 16.482 -7.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -4.061 17.755 -9.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -2.660 17.487 -8.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.937 16.579 -9.813 1.00 0.00 H new ATOM 754 N LYS A 101 -5.612 16.617 -4.028 1.00 0.00 N ATOM 755 CA LYS A 101 -6.704 17.600 -4.305 1.00 0.00 C ATOM 756 C LYS A 101 -7.105 17.463 -5.768 1.00 0.00 C ATOM 757 O LYS A 101 -6.276 17.527 -6.651 1.00 0.00 O ATOM 758 CB LYS A 101 -6.230 19.027 -4.018 1.00 0.00 C ATOM 759 CG LYS A 101 -7.302 19.771 -3.223 1.00 0.00 C ATOM 760 CD LYS A 101 -6.864 21.220 -3.012 1.00 0.00 C ATOM 761 CE LYS A 101 -7.316 21.692 -1.630 1.00 0.00 C ATOM 762 NZ LYS A 101 -8.035 22.991 -1.760 1.00 0.00 N ATOM 0 H LYS A 101 -5.917 15.735 -3.616 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.558 17.397 -3.659 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.296 19.005 -3.457 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -6.028 19.549 -4.953 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.252 19.741 -3.756 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.461 19.284 -2.261 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -5.780 21.300 -3.099 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -7.294 21.857 -3.785 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -7.968 20.947 -1.175 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -6.454 21.805 -0.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.343 23.313 -0.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.399 23.700 -2.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -8.866 22.868 -2.373 1.00 0.00 H new ATOM 763 N TYR A 102 -8.364 17.209 -6.016 1.00 0.00 N ATOM 764 CA TYR A 102 -8.847 16.989 -7.413 1.00 0.00 C ATOM 765 C TYR A 102 -8.608 15.516 -7.758 1.00 0.00 C ATOM 766 O TYR A 102 -9.185 14.975 -8.679 1.00 0.00 O ATOM 767 CB TYR A 102 -8.099 17.880 -8.412 1.00 0.00 C ATOM 768 CG TYR A 102 -8.759 17.759 -9.765 1.00 0.00 C ATOM 769 CD1 TYR A 102 -8.544 16.616 -10.543 1.00 0.00 C ATOM 770 CD2 TYR A 102 -9.589 18.782 -10.238 1.00 0.00 C ATOM 771 CE1 TYR A 102 -9.155 16.494 -11.795 1.00 0.00 C ATOM 772 CE2 TYR A 102 -10.203 18.661 -11.492 1.00 0.00 C ATOM 773 CZ TYR A 102 -9.985 17.517 -12.270 1.00 0.00 C ATOM 774 OH TYR A 102 -10.591 17.396 -13.505 1.00 0.00 O ATOM 0 H TYR A 102 -9.088 17.144 -5.300 1.00 0.00 H new ATOM 0 HA TYR A 102 -9.905 17.244 -7.477 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -8.114 18.917 -8.077 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -7.053 17.580 -8.475 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -7.905 15.827 -10.176 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -9.756 19.664 -9.637 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -8.987 15.612 -12.395 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -10.844 19.449 -11.858 1.00 0.00 H new ATOM 0 HH TYR A 102 -11.134 18.192 -13.682 1.00 0.00 H new ATOM 775 N ALA A 103 -7.767 14.864 -6.998 1.00 0.00 N ATOM 776 CA ALA A 103 -7.479 13.434 -7.228 1.00 0.00 C ATOM 777 C ALA A 103 -7.515 12.735 -5.872 1.00 0.00 C ATOM 778 O ALA A 103 -6.500 12.366 -5.323 1.00 0.00 O ATOM 779 CB ALA A 103 -6.086 13.291 -7.840 1.00 0.00 C ATOM 0 H ALA A 103 -7.262 15.279 -6.215 1.00 0.00 H new ATOM 0 HA ALA A 103 -8.210 12.995 -7.907 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.870 12.236 -8.011 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -6.048 13.828 -8.788 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.344 13.707 -7.158 1.00 0.00 H new ATOM 780 N PHE A 104 -8.675 12.581 -5.308 1.00 0.00 N ATOM 781 CA PHE A 104 -8.770 11.930 -3.976 1.00 0.00 C ATOM 782 C PHE A 104 -10.220 11.471 -3.753 1.00 0.00 C ATOM 783 O PHE A 104 -11.113 11.878 -4.464 1.00 0.00 O ATOM 784 CB PHE A 104 -8.390 12.950 -2.903 1.00 0.00 C ATOM 785 CG PHE A 104 -7.411 12.348 -1.915 1.00 0.00 C ATOM 786 CD1 PHE A 104 -7.337 10.958 -1.734 1.00 0.00 C ATOM 787 CD2 PHE A 104 -6.579 13.192 -1.169 1.00 0.00 C ATOM 788 CE1 PHE A 104 -6.434 10.420 -0.811 1.00 0.00 C ATOM 789 CE2 PHE A 104 -5.675 12.650 -0.249 1.00 0.00 C ATOM 790 CZ PHE A 104 -5.602 11.265 -0.071 1.00 0.00 C ATOM 0 H PHE A 104 -9.563 12.878 -5.712 1.00 0.00 H new ATOM 0 HA PHE A 104 -8.100 11.072 -3.923 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.948 13.830 -3.371 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -9.285 13.284 -2.378 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.977 10.304 -2.307 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.635 14.262 -1.304 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -6.380 9.351 -0.670 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -5.033 13.302 0.324 1.00 0.00 H new ATOM 0 HZ PHE A 104 -4.903 10.848 0.638 1.00 0.00 H new ATOM 791 N ASP A 105 -10.461 10.646 -2.766 1.00 0.00 N ATOM 792 CA ASP A 105 -11.856 10.184 -2.486 1.00 0.00 C ATOM 793 C ASP A 105 -12.239 9.012 -3.396 1.00 0.00 C ATOM 794 O ASP A 105 -13.397 8.660 -3.497 1.00 0.00 O ATOM 795 CB ASP A 105 -12.839 11.338 -2.707 1.00 0.00 C ATOM 796 CG ASP A 105 -14.144 11.048 -1.962 1.00 0.00 C ATOM 797 OD1 ASP A 105 -14.074 10.473 -0.888 1.00 0.00 O ATOM 798 OD2 ASP A 105 -15.189 11.406 -2.479 1.00 0.00 O ATOM 0 H ASP A 105 -9.749 10.271 -2.139 1.00 0.00 H new ATOM 0 HA ASP A 105 -11.902 9.851 -1.449 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.405 12.272 -2.351 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -13.036 11.463 -3.772 1.00 0.00 H new ATOM 799 N TYR A 106 -11.294 8.391 -4.049 1.00 0.00 N ATOM 800 CA TYR A 106 -11.656 7.237 -4.927 1.00 0.00 C ATOM 801 C TYR A 106 -10.788 6.023 -4.575 1.00 0.00 C ATOM 802 O TYR A 106 -10.292 5.893 -3.475 1.00 0.00 O ATOM 803 CB TYR A 106 -11.451 7.585 -6.409 1.00 0.00 C ATOM 804 CG TYR A 106 -11.348 9.079 -6.607 1.00 0.00 C ATOM 805 CD1 TYR A 106 -12.500 9.876 -6.581 1.00 0.00 C ATOM 806 CD2 TYR A 106 -10.099 9.663 -6.833 1.00 0.00 C ATOM 807 CE1 TYR A 106 -12.397 11.258 -6.781 1.00 0.00 C ATOM 808 CE2 TYR A 106 -9.996 11.041 -7.036 1.00 0.00 C ATOM 809 CZ TYR A 106 -11.145 11.842 -7.010 1.00 0.00 C ATOM 810 OH TYR A 106 -11.042 13.204 -7.206 1.00 0.00 O ATOM 0 H TYR A 106 -10.302 8.626 -4.016 1.00 0.00 H new ATOM 0 HA TYR A 106 -12.708 7.006 -4.762 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -10.545 7.103 -6.777 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -12.282 7.194 -6.996 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -13.466 9.425 -6.407 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.212 9.048 -6.851 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -13.284 11.874 -6.759 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.030 11.489 -7.213 1.00 0.00 H new ATOM 0 HH TYR A 106 -10.320 13.389 -7.842 1.00 0.00 H new ATOM 811 N TRP A 107 -10.611 5.135 -5.515 1.00 0.00 N ATOM 812 CA TRP A 107 -9.789 3.917 -5.272 1.00 0.00 C ATOM 813 C TRP A 107 -10.359 3.139 -4.087 1.00 0.00 C ATOM 814 O TRP A 107 -10.161 3.495 -2.943 1.00 0.00 O ATOM 815 CB TRP A 107 -8.352 4.325 -4.983 1.00 0.00 C ATOM 816 CG TRP A 107 -7.930 5.360 -5.974 1.00 0.00 C ATOM 817 CD1 TRP A 107 -8.069 6.685 -5.795 1.00 0.00 C ATOM 818 CD2 TRP A 107 -7.326 5.187 -7.293 1.00 0.00 C ATOM 819 NE1 TRP A 107 -7.553 7.346 -6.885 1.00 0.00 N ATOM 820 CE2 TRP A 107 -7.092 6.466 -7.849 1.00 0.00 C ATOM 821 CE3 TRP A 107 -6.952 4.062 -8.050 1.00 0.00 C ATOM 822 CZ2 TRP A 107 -6.511 6.620 -9.110 1.00 0.00 C ATOM 823 CZ3 TRP A 107 -6.368 4.214 -9.316 1.00 0.00 C ATOM 824 CH2 TRP A 107 -6.146 5.491 -9.844 1.00 0.00 C ATOM 0 H TRP A 107 -11.006 5.203 -6.453 1.00 0.00 H new ATOM 0 HA TRP A 107 -9.810 3.281 -6.157 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -8.269 4.718 -3.970 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -7.695 3.457 -5.043 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -8.515 7.156 -4.932 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -7.515 8.362 -6.973 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -7.116 3.071 -7.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -6.345 7.608 -9.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -6.088 3.341 -9.887 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -5.693 5.602 -10.818 1.00 0.00 H new ATOM 825 N GLY A 108 -11.073 2.078 -4.355 1.00 0.00 N ATOM 826 CA GLY A 108 -11.662 1.279 -3.246 1.00 0.00 C ATOM 827 C GLY A 108 -12.231 -0.034 -3.795 1.00 0.00 C ATOM 828 O GLY A 108 -13.428 -0.232 -3.841 1.00 0.00 O ATOM 0 H GLY A 108 -11.273 1.732 -5.294 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -10.902 1.070 -2.493 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -12.450 1.849 -2.754 1.00 0.00 H new ATOM 829 N GLN A 109 -11.380 -0.936 -4.206 1.00 0.00 N ATOM 830 CA GLN A 109 -11.869 -2.239 -4.745 1.00 0.00 C ATOM 831 C GLN A 109 -11.213 -3.383 -3.966 1.00 0.00 C ATOM 832 O GLN A 109 -11.874 -4.164 -3.312 1.00 0.00 O ATOM 833 CB GLN A 109 -11.496 -2.351 -6.227 1.00 0.00 C ATOM 834 CG GLN A 109 -11.893 -3.731 -6.754 1.00 0.00 C ATOM 835 CD GLN A 109 -13.272 -3.648 -7.408 1.00 0.00 C ATOM 836 OE1 GLN A 109 -13.392 -3.076 -8.575 1.00 0.00 O flip ATOM 837 NE2 GLN A 109 -14.249 -4.110 -6.854 1.00 0.00 N flip ATOM 0 H GLN A 109 -10.366 -0.827 -4.192 1.00 0.00 H new ATOM 0 HA GLN A 109 -12.952 -2.297 -4.639 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -12.001 -1.573 -6.799 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -10.425 -2.196 -6.355 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -11.156 -4.082 -7.477 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -11.908 -4.453 -5.938 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -14.154 -4.557 -5.942 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -15.164 -4.051 -7.301 1.00 0.00 H new ATOM 838 N GLY A 110 -9.914 -3.480 -4.033 1.00 0.00 N ATOM 839 CA GLY A 110 -9.196 -4.561 -3.299 1.00 0.00 C ATOM 840 C GLY A 110 -8.364 -5.387 -4.281 1.00 0.00 C ATOM 841 O GLY A 110 -8.865 -5.871 -5.277 1.00 0.00 O ATOM 0 H GLY A 110 -9.314 -2.852 -4.569 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -8.550 -4.128 -2.535 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -9.912 -5.202 -2.785 1.00 0.00 H new ATOM 842 N THR A 111 -7.099 -5.570 -4.004 1.00 0.00 N ATOM 843 CA THR A 111 -6.246 -6.379 -4.909 1.00 0.00 C ATOM 844 C THR A 111 -5.341 -7.244 -4.043 1.00 0.00 C ATOM 845 O THR A 111 -5.593 -7.432 -2.870 1.00 0.00 O ATOM 846 CB THR A 111 -5.414 -5.458 -5.808 1.00 0.00 C ATOM 847 OG1 THR A 111 -4.948 -6.193 -6.931 1.00 0.00 O ATOM 848 CG2 THR A 111 -4.223 -4.911 -5.030 1.00 0.00 C ATOM 0 H THR A 111 -6.623 -5.190 -3.186 1.00 0.00 H new ATOM 0 HA THR A 111 -6.859 -7.009 -5.554 1.00 0.00 H new ATOM 0 HB THR A 111 -6.034 -4.627 -6.144 1.00 0.00 H new ATOM 0 HG1 THR A 111 -4.026 -5.931 -7.134 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.636 -4.257 -5.675 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.579 -4.346 -4.169 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.600 -5.738 -4.689 1.00 0.00 H new ATOM 849 N LEU A 112 -4.298 -7.780 -4.594 1.00 0.00 N ATOM 850 CA LEU A 112 -3.415 -8.639 -3.769 1.00 0.00 C ATOM 851 C LEU A 112 -2.296 -9.197 -4.628 1.00 0.00 C ATOM 852 O LEU A 112 -2.268 -9.016 -5.830 1.00 0.00 O ATOM 853 CB LEU A 112 -4.234 -9.813 -3.274 1.00 0.00 C ATOM 854 CG LEU A 112 -4.658 -10.594 -4.509 1.00 0.00 C ATOM 855 CD1 LEU A 112 -3.632 -11.701 -4.778 1.00 0.00 C ATOM 856 CD2 LEU A 112 -6.043 -11.203 -4.290 1.00 0.00 C ATOM 0 H LEU A 112 -4.019 -7.664 -5.568 1.00 0.00 H new ATOM 0 HA LEU A 112 -3.003 -8.056 -2.946 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -3.648 -10.439 -2.601 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -5.104 -9.471 -2.714 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.704 -9.925 -5.368 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.929 -12.265 -5.662 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -2.651 -11.255 -4.945 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -3.585 -12.370 -3.919 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.340 -11.761 -5.178 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.013 -11.875 -3.433 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.765 -10.408 -4.103 1.00 0.00 H new ATOM 857 N VAL A 113 -1.406 -9.921 -4.019 1.00 0.00 N ATOM 858 CA VAL A 113 -0.296 -10.544 -4.779 1.00 0.00 C ATOM 859 C VAL A 113 0.196 -11.757 -4.003 1.00 0.00 C ATOM 860 O VAL A 113 0.075 -11.814 -2.797 1.00 0.00 O ATOM 861 CB VAL A 113 0.838 -9.545 -4.950 1.00 0.00 C ATOM 862 CG1 VAL A 113 1.524 -9.809 -6.286 1.00 0.00 C ATOM 863 CG2 VAL A 113 0.272 -8.122 -4.936 1.00 0.00 C ATOM 0 H VAL A 113 -1.401 -10.109 -3.017 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.643 -10.848 -5.767 1.00 0.00 H new ATOM 0 HB VAL A 113 1.555 -9.652 -4.136 1.00 0.00 H new ATOM 0 HG11 VAL A 113 2.340 -9.099 -6.422 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.920 -10.824 -6.297 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.803 -9.692 -7.095 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.085 -7.406 -5.059 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -0.440 -8.006 -5.753 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -0.232 -7.940 -3.987 1.00 0.00 H new ATOM 864 N THR A 114 0.751 -12.731 -4.671 1.00 0.00 N ATOM 865 CA THR A 114 1.235 -13.927 -3.941 1.00 0.00 C ATOM 866 C THR A 114 2.700 -14.136 -4.269 1.00 0.00 C ATOM 867 O THR A 114 3.164 -13.778 -5.330 1.00 0.00 O ATOM 868 CB THR A 114 0.428 -15.155 -4.373 1.00 0.00 C ATOM 869 OG1 THR A 114 -0.957 -14.843 -4.340 1.00 0.00 O ATOM 870 CG2 THR A 114 0.713 -16.321 -3.423 1.00 0.00 C ATOM 0 H THR A 114 0.888 -12.747 -5.682 1.00 0.00 H new ATOM 0 HA THR A 114 1.112 -13.783 -2.868 1.00 0.00 H new ATOM 0 HB THR A 114 0.715 -15.439 -5.386 1.00 0.00 H new ATOM 0 HG1 THR A 114 -1.476 -15.627 -4.618 1.00 0.00 H new ATOM 0 HG21 THR A 114 0.137 -17.193 -3.734 1.00 0.00 H new ATOM 0 HG22 THR A 114 1.776 -16.560 -3.449 1.00 0.00 H new ATOM 0 HG23 THR A 114 0.429 -16.041 -2.408 1.00 0.00 H new ATOM 871 N VAL A 115 3.440 -14.704 -3.374 1.00 0.00 N ATOM 872 CA VAL A 115 4.878 -14.920 -3.670 1.00 0.00 C ATOM 873 C VAL A 115 5.137 -16.415 -3.865 1.00 0.00 C ATOM 874 O VAL A 115 5.904 -17.029 -3.153 1.00 0.00 O ATOM 875 CB VAL A 115 5.732 -14.373 -2.531 1.00 0.00 C ATOM 876 CG1 VAL A 115 6.078 -12.911 -2.817 1.00 0.00 C ATOM 877 CG2 VAL A 115 4.955 -14.457 -1.213 1.00 0.00 C ATOM 0 H VAL A 115 3.121 -15.026 -2.460 1.00 0.00 H new ATOM 0 HA VAL A 115 5.146 -14.391 -4.585 1.00 0.00 H new ATOM 0 HB VAL A 115 6.645 -14.962 -2.451 1.00 0.00 H new ATOM 0 HG11 VAL A 115 6.689 -12.516 -2.005 1.00 0.00 H new ATOM 0 HG12 VAL A 115 6.632 -12.845 -3.753 1.00 0.00 H new ATOM 0 HG13 VAL A 115 5.160 -12.329 -2.897 1.00 0.00 H new ATOM 0 HG21 VAL A 115 5.570 -14.065 -0.403 1.00 0.00 H new ATOM 0 HG22 VAL A 115 4.040 -13.869 -1.292 1.00 0.00 H new ATOM 0 HG23 VAL A 115 4.701 -15.497 -1.006 1.00 0.00 H new