USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 973 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 72 GLN : amide:sc= -10.1! C(o=-12!,f=-13!) USER MOD Set 1.2: A 150 TYR OH : rot 180:sc= -1.8! USER MOD Set 2.1: A 135 ASN : amide:sc= -0.514 K(o=-0.66,f=-3.7!) USER MOD Set 2.2: A 146 HIS : no HE2:sc= -0.144 X(o=-0.66,f=-0.67) USER MOD Set 3.1: A 96 THR OG1 : rot -105:sc= 0.0096 USER MOD Set 3.2: A 114 HIS : no HD1:sc= -0.0625 X(o=-0.053,f=0) USER MOD Set 4.1: A 99 ASN : amide:sc= -0.0208 X(o=-0.023,f=-0.002) USER MOD Set 4.2: A 113 ASN : amide:sc= -0.002 X(o=-0.023,f=-0.023) USER MOD Set 5.1: A 77 ASN :FLIP amide:sc= -2.57! C(o=-3.2!,f=-2.6!) USER MOD Set 5.2: A 79 ASN : amide:sc= 0 K(o=-2.6,f=-3.2) USER MOD Set 6.1: A 35 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 36 SER OG : rot 180:sc= -0.286 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc=-0.000518 (180deg=-0.000518) USER MOD Single : A 51 THR OG1 : rot -82:sc= 0.277 USER MOD Single : A 52 CYS SG : rot 120:sc= -1.45 USER MOD Single : A 55 SER OG : rot -93:sc= 1.02 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.137 K(o=-0.14,f=-1.9!) USER MOD Single : A 60 THR OG1 : rot 170:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 63 TYR OH : rot 30:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -2.97! C(o=-3!,f=-3.8!) USER MOD Single : A 68 CYS SG : rot 165:sc= 0.819 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.224 K(o=-0.22,f=-6!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc=-0.00197 X(o=-0.002,f=0) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= -3.72! C(o=-3.7!,f=-7.1!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.734 K(o=-0.73,f=-6!) USER MOD Single : A 89 GLN : amide:sc= -7.61! C(o=-7.6!,f=-20!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 CYS SG : rot 127:sc= 0.0366 USER MOD Single : A 109 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.17) USER MOD Single : A 110 SER OG : rot 30:sc= 0.757 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 LYS NZ :NH3+ -103:sc= 0.491 (180deg=-1.5) USER MOD Single : A 133 THR OG1 : rot -60:sc= 1.09 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 142 HIS : no HE2:sc= -5.65! C(o=-5.6!,f=-9.4!) USER MOD Single : A 145 SER OG : rot -170:sc= -0.348 USER MOD Single : A 149 LYS NZ :NH3+ -175:sc= 1.03 (180deg=1) USER MOD Single : A 151 THR OG1 : rot 180:sc= -0.0458 USER MOD Single : A 156 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 34 -11.462 7.531 -16.561 1.00 0.00 N ATOM 2 CA GLY A 34 -12.600 7.488 -17.461 1.00 0.00 C ATOM 3 C GLY A 34 -13.904 7.821 -16.763 1.00 0.00 C ATOM 4 O GLY A 34 -14.347 7.089 -15.878 1.00 0.00 O ATOM 0 HA2 GLY A 34 -12.439 8.191 -18.279 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.672 6.495 -17.904 1.00 0.00 H new ATOM 8 N SER A 35 -14.520 8.930 -17.160 1.00 0.00 N ATOM 9 CA SER A 35 -15.778 9.361 -16.563 1.00 0.00 C ATOM 10 C SER A 35 -16.533 10.296 -17.503 1.00 0.00 C ATOM 11 O SER A 35 -15.935 11.143 -18.167 1.00 0.00 O ATOM 12 CB SER A 35 -15.520 10.062 -15.228 1.00 0.00 C ATOM 13 OG SER A 35 -16.735 10.459 -14.616 1.00 0.00 O ATOM 0 H SER A 35 -14.168 9.546 -17.893 1.00 0.00 H new ATOM 0 HA SER A 35 -16.390 8.476 -16.388 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.976 9.393 -14.562 1.00 0.00 H new ATOM 0 HB3 SER A 35 -14.888 10.935 -15.389 1.00 0.00 H new ATOM 0 HG SER A 35 -16.542 10.903 -13.764 1.00 0.00 H new ATOM 19 N SER A 36 -17.852 10.136 -17.554 1.00 0.00 N ATOM 20 CA SER A 36 -18.690 10.963 -18.415 1.00 0.00 C ATOM 21 C SER A 36 -18.609 10.493 -19.864 1.00 0.00 C ATOM 22 O SER A 36 -19.629 10.266 -20.512 1.00 0.00 O ATOM 23 CB SER A 36 -18.267 12.430 -18.317 1.00 0.00 C ATOM 24 OG SER A 36 -17.897 12.767 -16.991 1.00 0.00 O ATOM 0 H SER A 36 -18.363 9.441 -17.009 1.00 0.00 H new ATOM 0 HA SER A 36 -19.722 10.867 -18.078 1.00 0.00 H new ATOM 0 HB2 SER A 36 -17.430 12.616 -18.990 1.00 0.00 H new ATOM 0 HB3 SER A 36 -19.086 13.071 -18.643 1.00 0.00 H new ATOM 0 HG SER A 36 -17.629 13.709 -16.955 1.00 0.00 H new ATOM 30 N GLY A 37 -17.386 10.351 -20.366 1.00 0.00 N ATOM 31 CA GLY A 37 -17.192 9.910 -21.735 1.00 0.00 C ATOM 32 C GLY A 37 -16.024 10.602 -22.408 1.00 0.00 C ATOM 33 O GLY A 37 -15.088 11.044 -21.741 1.00 0.00 O ATOM 0 H GLY A 37 -16.526 10.534 -19.849 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -17.027 8.833 -21.746 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -18.101 10.099 -22.306 1.00 0.00 H new ATOM 37 N SER A 38 -16.075 10.694 -23.733 1.00 0.00 N ATOM 38 CA SER A 38 -15.010 11.333 -24.497 1.00 0.00 C ATOM 39 C SER A 38 -13.644 10.800 -24.073 1.00 0.00 C ATOM 40 O SER A 38 -13.045 11.288 -23.115 1.00 0.00 O ATOM 41 CB SER A 38 -15.058 12.850 -24.310 1.00 0.00 C ATOM 42 OG SER A 38 -14.246 13.508 -25.267 1.00 0.00 O ATOM 0 H SER A 38 -16.843 10.334 -24.300 1.00 0.00 H new ATOM 0 HA SER A 38 -15.162 11.100 -25.551 1.00 0.00 H new ATOM 0 HB2 SER A 38 -16.087 13.198 -24.401 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.722 13.106 -23.305 1.00 0.00 H new ATOM 0 HG SER A 38 -14.295 14.477 -25.127 1.00 0.00 H new ATOM 48 N SER A 39 -13.158 9.796 -24.795 1.00 0.00 N ATOM 49 CA SER A 39 -11.865 9.193 -24.493 1.00 0.00 C ATOM 50 C SER A 39 -10.733 10.186 -24.739 1.00 0.00 C ATOM 51 O SER A 39 -10.192 10.268 -25.841 1.00 0.00 O ATOM 52 CB SER A 39 -11.652 7.939 -25.343 1.00 0.00 C ATOM 53 OG SER A 39 -12.758 7.059 -25.239 1.00 0.00 O ATOM 0 H SER A 39 -13.640 9.383 -25.593 1.00 0.00 H new ATOM 0 HA SER A 39 -11.859 8.914 -23.439 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.506 8.223 -26.385 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.745 7.428 -25.021 1.00 0.00 H new ATOM 0 HG SER A 39 -12.598 6.266 -25.793 1.00 0.00 H new ATOM 59 N GLY A 40 -10.379 10.939 -23.702 1.00 0.00 N ATOM 60 CA GLY A 40 -9.313 11.916 -23.824 1.00 0.00 C ATOM 61 C GLY A 40 -8.327 11.846 -22.675 1.00 0.00 C ATOM 62 O GLY A 40 -7.189 11.413 -22.850 1.00 0.00 O ATOM 0 H GLY A 40 -10.812 10.890 -22.780 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.783 11.756 -24.763 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.744 12.916 -23.868 1.00 0.00 H new ATOM 66 N ALA A 41 -8.764 12.276 -21.495 1.00 0.00 N ATOM 67 CA ALA A 41 -7.912 12.259 -20.313 1.00 0.00 C ATOM 68 C ALA A 41 -7.365 10.861 -20.050 1.00 0.00 C ATOM 69 O ALA A 41 -8.110 9.881 -20.064 1.00 0.00 O ATOM 70 CB ALA A 41 -8.682 12.764 -19.101 1.00 0.00 C ATOM 0 H ALA A 41 -9.703 12.640 -21.333 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.066 12.922 -20.495 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.034 12.746 -18.225 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.018 13.785 -19.283 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.546 12.123 -18.926 1.00 0.00 H new ATOM 76 N GLU A 42 -6.060 10.776 -19.810 1.00 0.00 N ATOM 77 CA GLU A 42 -5.414 9.496 -19.545 1.00 0.00 C ATOM 78 C GLU A 42 -5.691 9.032 -18.118 1.00 0.00 C ATOM 79 O GLU A 42 -5.341 9.710 -17.153 1.00 0.00 O ATOM 80 CB GLU A 42 -3.905 9.603 -19.775 1.00 0.00 C ATOM 81 CG GLU A 42 -3.230 10.648 -18.902 1.00 0.00 C ATOM 82 CD GLU A 42 -1.746 10.774 -19.185 1.00 0.00 C ATOM 83 OE1 GLU A 42 -1.037 9.750 -19.100 1.00 0.00 O ATOM 84 OE2 GLU A 42 -1.294 11.897 -19.491 1.00 0.00 O ATOM 0 H GLU A 42 -5.430 11.578 -19.794 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.827 8.760 -20.235 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.447 8.632 -19.585 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.721 9.843 -20.822 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.710 11.614 -19.061 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.375 10.389 -17.853 1.00 0.00 H new ATOM 91 N LYS A 43 -6.324 7.870 -17.993 1.00 0.00 N ATOM 92 CA LYS A 43 -6.649 7.312 -16.685 1.00 0.00 C ATOM 93 C LYS A 43 -5.585 6.313 -16.240 1.00 0.00 C ATOM 94 O LYS A 43 -5.281 5.358 -16.954 1.00 0.00 O ATOM 95 CB LYS A 43 -8.019 6.632 -16.724 1.00 0.00 C ATOM 96 CG LYS A 43 -8.132 5.554 -17.788 1.00 0.00 C ATOM 97 CD LYS A 43 -9.515 4.924 -17.798 1.00 0.00 C ATOM 98 CE LYS A 43 -9.587 3.723 -16.867 1.00 0.00 C ATOM 99 NZ LYS A 43 -9.041 2.493 -17.504 1.00 0.00 N ATOM 0 H LYS A 43 -6.622 7.296 -18.782 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.677 8.130 -15.965 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -8.225 6.191 -15.749 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.785 7.387 -16.900 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.920 5.984 -18.767 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.382 4.784 -17.609 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.256 5.665 -17.496 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.768 4.615 -18.812 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.030 3.937 -15.955 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.623 3.551 -16.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.108 1.698 -16.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.588 2.274 -18.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.045 2.647 -17.759 1.00 0.00 H new ATOM 113 N ARG A 44 -5.025 6.540 -15.057 1.00 0.00 N ATOM 114 CA ARG A 44 -3.996 5.659 -14.517 1.00 0.00 C ATOM 115 C ARG A 44 -4.622 4.455 -13.819 1.00 0.00 C ATOM 116 O ARG A 44 -5.831 4.421 -13.584 1.00 0.00 O ATOM 117 CB ARG A 44 -3.104 6.423 -13.537 1.00 0.00 C ATOM 118 CG ARG A 44 -1.767 5.747 -13.277 1.00 0.00 C ATOM 119 CD ARG A 44 -0.747 6.727 -12.720 1.00 0.00 C ATOM 120 NE ARG A 44 -0.941 6.967 -11.292 1.00 0.00 N ATOM 121 CZ ARG A 44 0.005 7.446 -10.492 1.00 0.00 C ATOM 122 NH1 ARG A 44 1.204 7.735 -10.977 1.00 0.00 N ATOM 123 NH2 ARG A 44 -0.248 7.638 -9.204 1.00 0.00 N ATOM 0 H ARG A 44 -5.266 7.326 -14.454 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.388 5.300 -15.347 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.925 7.425 -13.927 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.633 6.539 -12.591 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.904 4.925 -12.575 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.390 5.315 -14.204 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.258 6.340 -12.889 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.820 7.671 -13.259 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.853 6.755 -10.887 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.402 7.590 -11.967 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.929 8.103 -10.360 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.170 7.418 -8.827 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.479 8.006 -8.591 1.00 0.00 H new ATOM 137 N ILE A 45 -3.793 3.471 -13.492 1.00 0.00 N ATOM 138 CA ILE A 45 -4.265 2.266 -12.821 1.00 0.00 C ATOM 139 C ILE A 45 -3.298 1.832 -11.725 1.00 0.00 C ATOM 140 O ILE A 45 -2.096 2.084 -11.808 1.00 0.00 O ATOM 141 CB ILE A 45 -4.452 1.104 -13.814 1.00 0.00 C ATOM 142 CG1 ILE A 45 -5.375 1.527 -14.959 1.00 0.00 C ATOM 143 CG2 ILE A 45 -5.008 -0.119 -13.101 1.00 0.00 C ATOM 144 CD1 ILE A 45 -6.799 1.788 -14.521 1.00 0.00 C ATOM 0 H ILE A 45 -2.791 3.484 -13.681 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.229 2.511 -12.376 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.480 0.844 -14.233 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.975 2.428 -15.423 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.375 0.748 -15.722 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.134 -0.931 -13.817 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.316 -0.430 -12.318 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -5.973 0.126 -12.656 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.397 2.083 -15.383 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.217 0.881 -14.083 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.811 2.588 -13.780 1.00 0.00 H new ATOM 156 N ILE A 46 -3.830 1.177 -10.698 1.00 0.00 N ATOM 157 CA ILE A 46 -3.014 0.705 -9.587 1.00 0.00 C ATOM 158 C ILE A 46 -3.156 -0.802 -9.401 1.00 0.00 C ATOM 159 O ILE A 46 -4.255 -1.348 -9.493 1.00 0.00 O ATOM 160 CB ILE A 46 -3.392 1.411 -8.271 1.00 0.00 C ATOM 161 CG1 ILE A 46 -3.321 2.930 -8.443 1.00 0.00 C ATOM 162 CG2 ILE A 46 -2.475 0.957 -7.145 1.00 0.00 C ATOM 163 CD1 ILE A 46 -1.966 3.424 -8.899 1.00 0.00 C ATOM 0 H ILE A 46 -4.823 0.961 -10.613 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.979 0.942 -9.833 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.416 1.141 -8.012 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.074 3.241 -9.167 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.573 3.407 -7.496 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.754 1.464 -6.222 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.570 -0.120 -7.010 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.443 1.201 -7.395 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.989 4.509 -9.000 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.211 3.144 -8.165 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.720 2.976 -9.862 1.00 0.00 H new ATOM 175 N ARG A 47 -2.036 -1.468 -9.139 1.00 0.00 N ATOM 176 CA ARG A 47 -2.036 -2.912 -8.939 1.00 0.00 C ATOM 177 C ARG A 47 -1.690 -3.261 -7.495 1.00 0.00 C ATOM 178 O ARG A 47 -0.625 -2.899 -6.995 1.00 0.00 O ATOM 179 CB ARG A 47 -1.039 -3.579 -9.889 1.00 0.00 C ATOM 180 CG ARG A 47 -1.643 -3.977 -11.225 1.00 0.00 C ATOM 181 CD ARG A 47 -2.685 -5.073 -11.061 1.00 0.00 C ATOM 182 NE ARG A 47 -2.148 -6.240 -10.367 1.00 0.00 N ATOM 183 CZ ARG A 47 -1.301 -7.099 -10.922 1.00 0.00 C ATOM 184 NH1 ARG A 47 -0.897 -6.923 -12.173 1.00 0.00 N ATOM 185 NH2 ARG A 47 -0.856 -8.138 -10.226 1.00 0.00 N ATOM 0 H ARG A 47 -1.118 -1.031 -9.060 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.038 -3.284 -9.154 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.206 -2.898 -10.065 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.629 -4.466 -9.407 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.101 -3.105 -11.693 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.854 -4.321 -11.894 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.538 -4.682 -10.506 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.053 -5.373 -12.042 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.439 -6.404 -9.403 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.237 -6.126 -12.711 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.246 -7.584 -12.597 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.165 -8.277 -9.264 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.205 -8.797 -10.653 1.00 0.00 H new ATOM 199 N VAL A 48 -2.599 -3.966 -6.828 1.00 0.00 N ATOM 200 CA VAL A 48 -2.390 -4.365 -5.441 1.00 0.00 C ATOM 201 C VAL A 48 -1.050 -5.071 -5.268 1.00 0.00 C ATOM 202 O VAL A 48 -0.861 -6.191 -5.742 1.00 0.00 O ATOM 203 CB VAL A 48 -3.515 -5.295 -4.950 1.00 0.00 C ATOM 204 CG1 VAL A 48 -3.274 -5.708 -3.505 1.00 0.00 C ATOM 205 CG2 VAL A 48 -4.869 -4.619 -5.101 1.00 0.00 C ATOM 0 H VAL A 48 -3.487 -4.272 -7.226 1.00 0.00 H new ATOM 0 HA VAL A 48 -2.396 -3.453 -4.844 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.513 -6.195 -5.565 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.079 -6.365 -3.175 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.323 -6.235 -3.431 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.248 -4.821 -2.873 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.652 -5.291 -4.749 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.886 -3.702 -4.512 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.041 -4.379 -6.150 1.00 0.00 H new ATOM 215 N ASP A 49 -0.123 -4.408 -4.585 1.00 0.00 N ATOM 216 CA ASP A 49 1.200 -4.973 -4.346 1.00 0.00 C ATOM 217 C ASP A 49 1.119 -6.482 -4.143 1.00 0.00 C ATOM 218 O ASP A 49 0.187 -7.001 -3.528 1.00 0.00 O ATOM 219 CB ASP A 49 1.846 -4.316 -3.126 1.00 0.00 C ATOM 220 CG ASP A 49 3.351 -4.195 -3.262 1.00 0.00 C ATOM 221 OD1 ASP A 49 3.810 -3.588 -4.252 1.00 0.00 O ATOM 222 OD2 ASP A 49 4.070 -4.707 -2.378 1.00 0.00 O ATOM 0 H ASP A 49 -0.263 -3.479 -4.187 1.00 0.00 H new ATOM 0 HA ASP A 49 1.815 -4.776 -5.224 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.416 -3.325 -2.981 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.610 -4.899 -2.236 1.00 0.00 H new ATOM 227 N PRO A 50 2.116 -7.206 -4.674 1.00 0.00 N ATOM 228 CA PRO A 50 2.179 -8.666 -4.564 1.00 0.00 C ATOM 229 C PRO A 50 2.470 -9.129 -3.141 1.00 0.00 C ATOM 230 O PRO A 50 1.882 -10.098 -2.659 1.00 0.00 O ATOM 231 CB PRO A 50 3.335 -9.042 -5.495 1.00 0.00 C ATOM 232 CG PRO A 50 4.194 -7.825 -5.543 1.00 0.00 C ATOM 233 CD PRO A 50 3.259 -6.654 -5.421 1.00 0.00 C ATOM 0 HA PRO A 50 1.231 -9.135 -4.827 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.887 -9.901 -5.114 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.973 -9.310 -6.487 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.922 -7.829 -4.732 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.756 -7.780 -6.476 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.723 -5.823 -4.889 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.956 -6.278 -6.398 1.00 0.00 H new ATOM 241 N THR A 51 3.380 -8.429 -2.470 1.00 0.00 N ATOM 242 CA THR A 51 3.749 -8.769 -1.102 1.00 0.00 C ATOM 243 C THR A 51 2.515 -8.905 -0.217 1.00 0.00 C ATOM 244 O THR A 51 2.526 -9.641 0.770 1.00 0.00 O ATOM 245 CB THR A 51 4.687 -7.709 -0.494 1.00 0.00 C ATOM 246 OG1 THR A 51 4.109 -6.406 -0.630 1.00 0.00 O ATOM 247 CG2 THR A 51 6.049 -7.739 -1.172 1.00 0.00 C ATOM 0 H THR A 51 3.875 -7.623 -2.852 1.00 0.00 H new ATOM 0 HA THR A 51 4.270 -9.725 -1.144 1.00 0.00 H new ATOM 0 HB THR A 51 4.820 -7.938 0.563 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.291 -6.060 -1.529 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.694 -6.982 -0.726 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.499 -8.723 -1.040 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.930 -7.534 -2.236 1.00 0.00 H new ATOM 255 N CYS A 52 1.453 -8.194 -0.578 1.00 0.00 N ATOM 256 CA CYS A 52 0.210 -8.236 0.184 1.00 0.00 C ATOM 257 C CYS A 52 -0.581 -9.501 -0.135 1.00 0.00 C ATOM 258 O CYS A 52 -0.704 -9.911 -1.289 1.00 0.00 O ATOM 259 CB CYS A 52 -0.639 -7.000 -0.117 1.00 0.00 C ATOM 260 SG CYS A 52 -2.289 -7.040 0.622 1.00 0.00 S ATOM 0 H CYS A 52 1.427 -7.582 -1.393 1.00 0.00 H new ATOM 0 HA CYS A 52 0.463 -8.245 1.244 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.113 -6.115 0.242 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.739 -6.895 -1.197 1.00 0.00 H new ATOM 0 HG CYS A 52 -2.428 -6.030 1.429 1.00 0.00 H new ATOM 266 N PRO A 53 -1.128 -10.137 0.912 1.00 0.00 N ATOM 267 CA PRO A 53 -1.914 -11.365 0.769 1.00 0.00 C ATOM 268 C PRO A 53 -3.258 -11.118 0.092 1.00 0.00 C ATOM 269 O PRO A 53 -3.642 -11.837 -0.832 1.00 0.00 O ATOM 270 CB PRO A 53 -2.120 -11.825 2.214 1.00 0.00 C ATOM 271 CG PRO A 53 -2.016 -10.580 3.026 1.00 0.00 C ATOM 272 CD PRO A 53 -1.021 -9.705 2.315 1.00 0.00 C ATOM 0 HA PRO A 53 -1.410 -12.100 0.141 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -3.092 -12.302 2.343 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -1.365 -12.554 2.509 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -2.984 -10.085 3.107 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -1.686 -10.802 4.041 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -1.262 -8.648 2.429 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -0.012 -9.846 2.703 1.00 0.00 H new ATOM 280 N LEU A 54 -3.969 -10.096 0.556 1.00 0.00 N ATOM 281 CA LEU A 54 -5.271 -9.753 -0.006 1.00 0.00 C ATOM 282 C LEU A 54 -5.229 -9.771 -1.530 1.00 0.00 C ATOM 283 O LEU A 54 -6.194 -10.167 -2.183 1.00 0.00 O ATOM 284 CB LEU A 54 -5.714 -8.374 0.488 1.00 0.00 C ATOM 285 CG LEU A 54 -5.747 -8.183 2.005 1.00 0.00 C ATOM 286 CD1 LEU A 54 -5.945 -6.716 2.353 1.00 0.00 C ATOM 287 CD2 LEU A 54 -6.846 -9.033 2.625 1.00 0.00 C ATOM 0 H LEU A 54 -3.666 -9.491 1.319 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.991 -10.500 0.327 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.046 -7.626 0.062 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.710 -8.172 0.095 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.790 -8.507 2.414 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.966 -6.599 3.436 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.124 -6.130 1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.888 -6.366 1.932 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.855 -8.885 3.705 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.810 -8.740 2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.661 -10.084 2.405 1.00 0.00 H new ATOM 299 N SER A 55 -4.103 -9.340 -2.091 1.00 0.00 N ATOM 300 CA SER A 55 -3.935 -9.305 -3.539 1.00 0.00 C ATOM 301 C SER A 55 -4.549 -10.542 -4.187 1.00 0.00 C ATOM 302 O SER A 55 -5.281 -10.441 -5.172 1.00 0.00 O ATOM 303 CB SER A 55 -2.451 -9.211 -3.899 1.00 0.00 C ATOM 304 OG SER A 55 -1.788 -10.440 -3.658 1.00 0.00 O ATOM 0 H SER A 55 -3.294 -9.010 -1.565 1.00 0.00 H new ATOM 0 HA SER A 55 -4.451 -8.423 -3.919 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.345 -8.937 -4.949 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.981 -8.420 -3.314 1.00 0.00 H new ATOM 0 HG SER A 55 -1.407 -10.435 -2.755 1.00 0.00 H new ATOM 310 N SER A 56 -4.246 -11.709 -3.627 1.00 0.00 N ATOM 311 CA SER A 56 -4.765 -12.966 -4.152 1.00 0.00 C ATOM 312 C SER A 56 -6.288 -13.000 -4.074 1.00 0.00 C ATOM 313 O SER A 56 -6.959 -13.412 -5.019 1.00 0.00 O ATOM 314 CB SER A 56 -4.176 -14.148 -3.378 1.00 0.00 C ATOM 315 OG SER A 56 -4.708 -15.377 -3.841 1.00 0.00 O ATOM 0 H SER A 56 -3.644 -11.810 -2.810 1.00 0.00 H new ATOM 0 HA SER A 56 -4.471 -13.043 -5.199 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.091 -14.154 -3.487 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.389 -14.033 -2.315 1.00 0.00 H new ATOM 0 HG SER A 56 -4.315 -16.116 -3.332 1.00 0.00 H new ATOM 321 N ASN A 57 -6.826 -12.564 -2.940 1.00 0.00 N ATOM 322 CA ASN A 57 -8.270 -12.545 -2.737 1.00 0.00 C ATOM 323 C ASN A 57 -8.960 -11.717 -3.817 1.00 0.00 C ATOM 324 O ASN A 57 -8.606 -10.567 -4.073 1.00 0.00 O ATOM 325 CB ASN A 57 -8.604 -11.980 -1.354 1.00 0.00 C ATOM 326 CG ASN A 57 -8.568 -13.042 -0.272 1.00 0.00 C ATOM 327 OD1 ASN A 57 -8.744 -14.230 -0.546 1.00 0.00 O ATOM 328 ND2 ASN A 57 -8.340 -12.618 0.965 1.00 0.00 N ATOM 0 H ASN A 57 -6.284 -12.219 -2.148 1.00 0.00 H new ATOM 0 HA ASN A 57 -8.635 -13.570 -2.801 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -7.896 -11.189 -1.107 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -9.594 -11.525 -1.380 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -8.305 -13.286 1.735 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.200 -11.624 1.146 1.00 0.00 H new ATOM 335 N PRO A 58 -9.971 -12.316 -4.465 1.00 0.00 N ATOM 336 CA PRO A 58 -10.733 -11.652 -5.527 1.00 0.00 C ATOM 337 C PRO A 58 -11.613 -10.527 -4.993 1.00 0.00 C ATOM 338 O PRO A 58 -12.349 -10.708 -4.024 1.00 0.00 O ATOM 339 CB PRO A 58 -11.596 -12.778 -6.101 1.00 0.00 C ATOM 340 CG PRO A 58 -11.735 -13.756 -4.985 1.00 0.00 C ATOM 341 CD PRO A 58 -10.447 -13.685 -4.211 1.00 0.00 C ATOM 0 HA PRO A 58 -10.081 -11.179 -6.261 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -12.568 -12.406 -6.425 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -11.124 -13.235 -6.971 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -12.586 -13.507 -4.351 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.906 -14.762 -5.367 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.607 -13.864 -3.148 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.730 -14.430 -4.555 1.00 0.00 H new ATOM 349 N GLY A 59 -11.531 -9.363 -5.632 1.00 0.00 N ATOM 350 CA GLY A 59 -12.325 -8.226 -5.206 1.00 0.00 C ATOM 351 C GLY A 59 -11.487 -7.147 -4.548 1.00 0.00 C ATOM 352 O GLY A 59 -11.750 -5.956 -4.717 1.00 0.00 O ATOM 0 H GLY A 59 -10.929 -9.188 -6.437 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.842 -7.805 -6.068 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.091 -8.563 -4.508 1.00 0.00 H new ATOM 356 N THR A 60 -10.476 -7.564 -3.793 1.00 0.00 N ATOM 357 CA THR A 60 -9.598 -6.626 -3.105 1.00 0.00 C ATOM 358 C THR A 60 -8.819 -5.772 -4.098 1.00 0.00 C ATOM 359 O THR A 60 -7.926 -6.264 -4.787 1.00 0.00 O ATOM 360 CB THR A 60 -8.603 -7.359 -2.185 1.00 0.00 C ATOM 361 OG1 THR A 60 -9.314 -8.118 -1.200 1.00 0.00 O ATOM 362 CG2 THR A 60 -7.674 -6.370 -1.496 1.00 0.00 C ATOM 0 H THR A 60 -10.245 -8.546 -3.642 1.00 0.00 H new ATOM 0 HA THR A 60 -10.236 -5.983 -2.499 1.00 0.00 H new ATOM 0 HB THR A 60 -8.003 -8.031 -2.798 1.00 0.00 H new ATOM 0 HG1 THR A 60 -8.689 -8.704 -0.725 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.980 -6.910 -0.852 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.113 -5.814 -2.247 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.262 -5.676 -0.895 1.00 0.00 H new ATOM 370 N GLN A 61 -9.164 -4.490 -4.166 1.00 0.00 N ATOM 371 CA GLN A 61 -8.495 -3.567 -5.076 1.00 0.00 C ATOM 372 C GLN A 61 -7.977 -2.343 -4.327 1.00 0.00 C ATOM 373 O GLN A 61 -8.507 -1.973 -3.280 1.00 0.00 O ATOM 374 CB GLN A 61 -9.451 -3.132 -6.188 1.00 0.00 C ATOM 375 CG GLN A 61 -10.615 -2.288 -5.694 1.00 0.00 C ATOM 376 CD GLN A 61 -11.504 -1.802 -6.823 1.00 0.00 C ATOM 377 OE1 GLN A 61 -11.080 -1.735 -7.977 1.00 0.00 O ATOM 378 NE2 GLN A 61 -12.744 -1.460 -6.494 1.00 0.00 N ATOM 0 H GLN A 61 -9.902 -4.067 -3.603 1.00 0.00 H new ATOM 0 HA GLN A 61 -7.645 -4.086 -5.519 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -8.894 -2.566 -6.934 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -9.842 -4.019 -6.687 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -11.211 -2.873 -4.993 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -10.229 -1.429 -5.145 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -13.053 -1.532 -5.524 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -13.388 -1.126 -7.211 1.00 0.00 H new ATOM 387 N VAL A 62 -6.938 -1.719 -4.872 1.00 0.00 N ATOM 388 CA VAL A 62 -6.348 -0.536 -4.256 1.00 0.00 C ATOM 389 C VAL A 62 -7.314 0.643 -4.294 1.00 0.00 C ATOM 390 O VAL A 62 -7.533 1.246 -5.345 1.00 0.00 O ATOM 391 CB VAL A 62 -5.036 -0.134 -4.956 1.00 0.00 C ATOM 392 CG1 VAL A 62 -4.464 1.130 -4.332 1.00 0.00 C ATOM 393 CG2 VAL A 62 -4.029 -1.272 -4.895 1.00 0.00 C ATOM 0 H VAL A 62 -6.487 -2.013 -5.739 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.134 -0.793 -3.219 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.252 0.073 -6.004 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.537 1.399 -4.839 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.183 1.943 -4.434 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.262 0.955 -3.275 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.108 -0.970 -5.394 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.815 -1.513 -3.854 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.441 -2.150 -5.393 1.00 0.00 H new ATOM 403 N TYR A 63 -7.889 0.966 -3.141 1.00 0.00 N ATOM 404 CA TYR A 63 -8.834 2.073 -3.042 1.00 0.00 C ATOM 405 C TYR A 63 -8.285 3.320 -3.727 1.00 0.00 C ATOM 406 O TYR A 63 -7.277 3.882 -3.301 1.00 0.00 O ATOM 407 CB TYR A 63 -9.143 2.377 -1.575 1.00 0.00 C ATOM 408 CG TYR A 63 -9.894 3.673 -1.371 1.00 0.00 C ATOM 409 CD1 TYR A 63 -11.244 3.773 -1.682 1.00 0.00 C ATOM 410 CD2 TYR A 63 -9.253 4.799 -0.868 1.00 0.00 C ATOM 411 CE1 TYR A 63 -11.934 4.956 -1.498 1.00 0.00 C ATOM 412 CE2 TYR A 63 -9.935 5.985 -0.679 1.00 0.00 C ATOM 413 CZ TYR A 63 -11.275 6.059 -0.996 1.00 0.00 C ATOM 414 OH TYR A 63 -11.958 7.239 -0.811 1.00 0.00 O ATOM 0 H TYR A 63 -7.718 0.478 -2.262 1.00 0.00 H new ATOM 0 HA TYR A 63 -9.754 1.779 -3.547 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -9.729 1.558 -1.158 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -8.208 2.417 -1.016 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -11.763 2.911 -2.074 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -8.203 4.746 -0.621 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -12.983 5.017 -1.746 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -9.422 6.850 -0.285 1.00 0.00 H new ATOM 0 HH TYR A 63 -12.898 7.045 -0.612 1.00 0.00 H new ATOM 424 N GLU A 64 -8.958 3.748 -4.791 1.00 0.00 N ATOM 425 CA GLU A 64 -8.539 4.929 -5.535 1.00 0.00 C ATOM 426 C GLU A 64 -7.088 4.798 -5.991 1.00 0.00 C ATOM 427 O GLU A 64 -6.621 3.703 -6.304 1.00 0.00 O ATOM 428 CB GLU A 64 -8.704 6.186 -4.678 1.00 0.00 C ATOM 429 CG GLU A 64 -10.028 6.245 -3.934 1.00 0.00 C ATOM 430 CD GLU A 64 -10.455 7.664 -3.615 1.00 0.00 C ATOM 431 OE1 GLU A 64 -9.584 8.473 -3.231 1.00 0.00 O ATOM 432 OE2 GLU A 64 -11.659 7.967 -3.749 1.00 0.00 O ATOM 0 H GLU A 64 -9.795 3.294 -5.156 1.00 0.00 H new ATOM 0 HA GLU A 64 -9.173 5.014 -6.417 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.889 6.233 -3.956 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.616 7.065 -5.316 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -10.800 5.764 -4.535 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.945 5.677 -3.007 1.00 0.00 H new ATOM 439 N ASP A 65 -6.382 5.923 -6.026 1.00 0.00 N ATOM 440 CA ASP A 65 -4.984 5.935 -6.443 1.00 0.00 C ATOM 441 C ASP A 65 -4.067 6.225 -5.259 1.00 0.00 C ATOM 442 O ASP A 65 -3.031 6.874 -5.408 1.00 0.00 O ATOM 443 CB ASP A 65 -4.766 6.978 -7.541 1.00 0.00 C ATOM 444 CG ASP A 65 -5.943 7.071 -8.492 1.00 0.00 C ATOM 445 OD1 ASP A 65 -7.028 7.506 -8.052 1.00 0.00 O ATOM 446 OD2 ASP A 65 -5.780 6.708 -9.676 1.00 0.00 O ATOM 0 H ASP A 65 -6.754 6.838 -5.771 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.739 4.948 -6.836 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.594 7.952 -7.084 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.867 6.727 -8.104 1.00 0.00 H new ATOM 451 N TYR A 66 -4.455 5.743 -4.084 1.00 0.00 N ATOM 452 CA TYR A 66 -3.670 5.953 -2.874 1.00 0.00 C ATOM 453 C TYR A 66 -2.472 5.008 -2.830 1.00 0.00 C ATOM 454 O TYR A 66 -2.498 3.987 -2.145 1.00 0.00 O ATOM 455 CB TYR A 66 -4.541 5.748 -1.633 1.00 0.00 C ATOM 456 CG TYR A 66 -5.321 6.980 -1.231 1.00 0.00 C ATOM 457 CD1 TYR A 66 -4.698 8.040 -0.584 1.00 0.00 C ATOM 458 CD2 TYR A 66 -6.680 7.083 -1.498 1.00 0.00 C ATOM 459 CE1 TYR A 66 -5.407 9.166 -0.214 1.00 0.00 C ATOM 460 CE2 TYR A 66 -7.397 8.206 -1.134 1.00 0.00 C ATOM 461 CZ TYR A 66 -6.756 9.245 -0.492 1.00 0.00 C ATOM 462 OH TYR A 66 -7.466 10.365 -0.125 1.00 0.00 O ATOM 0 H TYR A 66 -5.309 5.204 -3.944 1.00 0.00 H new ATOM 0 HA TYR A 66 -3.301 6.978 -2.885 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -5.238 4.931 -1.820 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.907 5.442 -0.801 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.642 7.983 -0.367 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -7.185 6.271 -1.999 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -4.908 9.980 0.290 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.453 8.270 -1.351 1.00 0.00 H new ATOM 0 HH TYR A 66 -8.403 10.262 -0.394 1.00 0.00 H new ATOM 472 N ASN A 67 -1.423 5.359 -3.567 1.00 0.00 N ATOM 473 CA ASN A 67 -0.215 4.543 -3.614 1.00 0.00 C ATOM 474 C ASN A 67 1.009 5.401 -3.919 1.00 0.00 C ATOM 475 O ASN A 67 1.252 5.765 -5.070 1.00 0.00 O ATOM 476 CB ASN A 67 -0.358 3.443 -4.668 1.00 0.00 C ATOM 477 CG ASN A 67 0.973 3.058 -5.284 1.00 0.00 C ATOM 478 OD1 ASN A 67 2.019 3.158 -4.643 1.00 0.00 O ATOM 479 ND2 ASN A 67 0.939 2.614 -6.536 1.00 0.00 N ATOM 0 H ASN A 67 -1.385 6.202 -4.139 1.00 0.00 H new ATOM 0 HA ASN A 67 -0.079 4.083 -2.635 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -0.813 2.563 -4.212 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -1.035 3.781 -5.453 1.00 0.00 H new ATOM 0 HD21 ASN A 67 1.803 2.340 -7.003 1.00 0.00 H new ATOM 0 HD22 ASN A 67 0.049 2.547 -7.030 1.00 0.00 H new ATOM 486 N CYS A 68 1.775 5.719 -2.882 1.00 0.00 N ATOM 487 CA CYS A 68 2.974 6.534 -3.039 1.00 0.00 C ATOM 488 C CYS A 68 4.194 5.824 -2.462 1.00 0.00 C ATOM 489 O CYS A 68 4.109 5.159 -1.428 1.00 0.00 O ATOM 490 CB CYS A 68 2.788 7.890 -2.356 1.00 0.00 C ATOM 491 SG CYS A 68 2.280 7.780 -0.624 1.00 0.00 S ATOM 0 H CYS A 68 1.587 5.425 -1.923 1.00 0.00 H new ATOM 0 HA CYS A 68 3.138 6.692 -4.105 1.00 0.00 H new ATOM 0 HB2 CYS A 68 3.724 8.446 -2.415 1.00 0.00 H new ATOM 0 HB3 CYS A 68 2.042 8.463 -2.907 1.00 0.00 H new ATOM 0 HG CYS A 68 2.461 8.930 -0.045 1.00 0.00 H new ATOM 497 N THR A 69 5.331 5.966 -3.137 1.00 0.00 N ATOM 498 CA THR A 69 6.567 5.336 -2.693 1.00 0.00 C ATOM 499 C THR A 69 7.484 6.344 -2.009 1.00 0.00 C ATOM 500 O THR A 69 7.700 7.446 -2.516 1.00 0.00 O ATOM 501 CB THR A 69 7.322 4.689 -3.870 1.00 0.00 C ATOM 502 OG1 THR A 69 6.556 3.605 -4.407 1.00 0.00 O ATOM 503 CG2 THR A 69 8.685 4.181 -3.425 1.00 0.00 C ATOM 0 H THR A 69 5.420 6.512 -3.994 1.00 0.00 H new ATOM 0 HA THR A 69 6.288 4.561 -1.979 1.00 0.00 H new ATOM 0 HB THR A 69 7.468 5.447 -4.640 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.042 3.200 -5.156 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.199 3.728 -4.273 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.277 5.013 -3.044 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.557 3.437 -2.639 1.00 0.00 H new ATOM 511 N LEU A 70 8.021 5.961 -0.856 1.00 0.00 N ATOM 512 CA LEU A 70 8.916 6.833 -0.103 1.00 0.00 C ATOM 513 C LEU A 70 10.315 6.232 -0.016 1.00 0.00 C ATOM 514 O LEU A 70 10.475 5.014 0.056 1.00 0.00 O ATOM 515 CB LEU A 70 8.363 7.071 1.303 1.00 0.00 C ATOM 516 CG LEU A 70 6.882 7.444 1.388 1.00 0.00 C ATOM 517 CD1 LEU A 70 6.492 7.757 2.824 1.00 0.00 C ATOM 518 CD2 LEU A 70 6.577 8.626 0.480 1.00 0.00 C ATOM 0 H LEU A 70 7.853 5.053 -0.422 1.00 0.00 H new ATOM 0 HA LEU A 70 8.982 7.786 -0.628 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.524 6.169 1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.945 7.865 1.771 1.00 0.00 H new ATOM 0 HG LEU A 70 6.292 6.592 1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.435 8.020 2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.673 6.882 3.449 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.088 8.593 3.189 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.519 8.878 0.553 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.176 9.484 0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.817 8.365 -0.551 1.00 0.00 H new ATOM 530 N ASN A 71 11.326 7.096 -0.021 1.00 0.00 N ATOM 531 CA ASN A 71 12.712 6.650 0.059 1.00 0.00 C ATOM 532 C ASN A 71 13.471 7.424 1.132 1.00 0.00 C ATOM 533 O ASN A 71 13.185 8.594 1.386 1.00 0.00 O ATOM 534 CB ASN A 71 13.404 6.822 -1.295 1.00 0.00 C ATOM 535 CG ASN A 71 13.226 5.613 -2.193 1.00 0.00 C ATOM 536 OD1 ASN A 71 12.463 5.649 -3.159 1.00 0.00 O ATOM 537 ND2 ASN A 71 13.932 4.533 -1.877 1.00 0.00 N ATOM 0 H ASN A 71 11.211 8.108 -0.080 1.00 0.00 H new ATOM 0 HA ASN A 71 12.713 5.594 0.328 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.004 7.704 -1.795 1.00 0.00 H new ATOM 0 HB3 ASN A 71 14.468 7.000 -1.136 1.00 0.00 H new ATOM 0 HD21 ASN A 71 13.854 3.689 -2.444 1.00 0.00 H new ATOM 0 HD22 ASN A 71 14.552 4.548 -1.067 1.00 0.00 H new ATOM 544 N GLN A 72 14.440 6.763 1.757 1.00 0.00 N ATOM 545 CA GLN A 72 15.240 7.389 2.803 1.00 0.00 C ATOM 546 C GLN A 72 16.641 6.788 2.850 1.00 0.00 C ATOM 547 O GLN A 72 16.803 5.575 2.987 1.00 0.00 O ATOM 548 CB GLN A 72 14.557 7.229 4.162 1.00 0.00 C ATOM 549 CG GLN A 72 14.305 5.781 4.549 1.00 0.00 C ATOM 550 CD GLN A 72 13.768 5.639 5.960 1.00 0.00 C ATOM 551 OE1 GLN A 72 13.301 6.608 6.559 1.00 0.00 O ATOM 552 NE2 GLN A 72 13.833 4.427 6.499 1.00 0.00 N ATOM 0 H GLN A 72 14.690 5.794 1.557 1.00 0.00 H new ATOM 0 HA GLN A 72 15.328 8.451 2.572 1.00 0.00 H new ATOM 0 HB2 GLN A 72 15.175 7.699 4.927 1.00 0.00 H new ATOM 0 HB3 GLN A 72 13.607 7.763 4.147 1.00 0.00 H new ATOM 0 HG2 GLN A 72 13.596 5.340 3.848 1.00 0.00 H new ATOM 0 HG3 GLN A 72 15.234 5.218 4.459 1.00 0.00 H new ATOM 0 HE21 GLN A 72 14.228 3.652 5.966 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.488 4.271 7.446 1.00 0.00 H new ATOM 561 N THR A 73 17.652 7.644 2.737 1.00 0.00 N ATOM 562 CA THR A 73 19.039 7.197 2.766 1.00 0.00 C ATOM 563 C THR A 73 19.829 7.928 3.845 1.00 0.00 C ATOM 564 O THR A 73 19.475 9.036 4.244 1.00 0.00 O ATOM 565 CB THR A 73 19.727 7.415 1.405 1.00 0.00 C ATOM 566 OG1 THR A 73 19.396 8.709 0.890 1.00 0.00 O ATOM 567 CG2 THR A 73 19.307 6.344 0.409 1.00 0.00 C ATOM 0 H THR A 73 17.536 8.651 2.625 1.00 0.00 H new ATOM 0 HA THR A 73 19.024 6.130 2.991 1.00 0.00 H new ATOM 0 HB THR A 73 20.805 7.349 1.553 1.00 0.00 H new ATOM 0 HG1 THR A 73 19.839 8.840 0.026 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.805 6.518 -0.545 1.00 0.00 H new ATOM 0 HG22 THR A 73 19.587 5.362 0.791 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.227 6.383 0.267 1.00 0.00 H new ATOM 575 N ASN A 74 20.903 7.299 4.313 1.00 0.00 N ATOM 576 CA ASN A 74 21.744 7.891 5.347 1.00 0.00 C ATOM 577 C ASN A 74 23.210 7.530 5.127 1.00 0.00 C ATOM 578 O ASN A 74 23.525 6.458 4.609 1.00 0.00 O ATOM 579 CB ASN A 74 21.294 7.421 6.731 1.00 0.00 C ATOM 580 CG ASN A 74 20.251 8.338 7.342 1.00 0.00 C ATOM 581 OD1 ASN A 74 19.082 7.973 7.462 1.00 0.00 O ATOM 582 ND2 ASN A 74 20.672 9.536 7.731 1.00 0.00 N ATOM 0 H ASN A 74 21.211 6.381 3.993 1.00 0.00 H new ATOM 0 HA ASN A 74 21.641 8.975 5.288 1.00 0.00 H new ATOM 0 HB2 ASN A 74 20.887 6.413 6.655 1.00 0.00 H new ATOM 0 HB3 ASN A 74 22.159 7.367 7.392 1.00 0.00 H new ATOM 0 HD21 ASN A 74 20.016 10.196 8.149 1.00 0.00 H new ATOM 0 HD22 ASN A 74 21.651 9.796 7.612 1.00 0.00 H new ATOM 589 N ILE A 75 24.102 8.430 5.526 1.00 0.00 N ATOM 590 CA ILE A 75 25.534 8.206 5.374 1.00 0.00 C ATOM 591 C ILE A 75 26.048 7.214 6.413 1.00 0.00 C ATOM 592 O ILE A 75 27.028 7.481 7.108 1.00 0.00 O ATOM 593 CB ILE A 75 26.327 9.520 5.500 1.00 0.00 C ATOM 594 CG1 ILE A 75 27.798 9.290 5.149 1.00 0.00 C ATOM 595 CG2 ILE A 75 26.195 10.086 6.906 1.00 0.00 C ATOM 596 CD1 ILE A 75 28.493 10.525 4.620 1.00 0.00 C ATOM 0 H ILE A 75 23.858 9.322 5.957 1.00 0.00 H new ATOM 0 HA ILE A 75 25.685 7.795 4.376 1.00 0.00 H new ATOM 0 HB ILE A 75 25.914 10.244 4.797 1.00 0.00 H new ATOM 0 HG12 ILE A 75 28.324 8.939 6.037 1.00 0.00 H new ATOM 0 HG13 ILE A 75 27.866 8.497 4.404 1.00 0.00 H new ATOM 0 HG21 ILE A 75 26.761 11.015 6.979 1.00 0.00 H new ATOM 0 HG22 ILE A 75 25.145 10.283 7.122 1.00 0.00 H new ATOM 0 HG23 ILE A 75 26.584 9.366 7.626 1.00 0.00 H new ATOM 0 HD11 ILE A 75 29.532 10.288 4.392 1.00 0.00 H new ATOM 0 HD12 ILE A 75 27.991 10.865 3.714 1.00 0.00 H new ATOM 0 HD13 ILE A 75 28.457 11.313 5.372 1.00 0.00 H new ATOM 608 N GLU A 76 25.381 6.069 6.510 1.00 0.00 N ATOM 609 CA GLU A 76 25.771 5.037 7.463 1.00 0.00 C ATOM 610 C GLU A 76 25.766 3.659 6.806 1.00 0.00 C ATOM 611 O GLU A 76 24.709 3.108 6.504 1.00 0.00 O ATOM 612 CB GLU A 76 24.829 5.042 8.669 1.00 0.00 C ATOM 613 CG GLU A 76 25.041 6.223 9.601 1.00 0.00 C ATOM 614 CD GLU A 76 24.041 6.254 10.740 1.00 0.00 C ATOM 615 OE1 GLU A 76 22.842 6.477 10.470 1.00 0.00 O ATOM 616 OE2 GLU A 76 24.456 6.056 11.901 1.00 0.00 O ATOM 0 H GLU A 76 24.568 5.832 5.941 1.00 0.00 H new ATOM 0 HA GLU A 76 26.784 5.256 7.801 1.00 0.00 H new ATOM 0 HB2 GLU A 76 23.798 5.050 8.314 1.00 0.00 H new ATOM 0 HB3 GLU A 76 24.966 4.118 9.230 1.00 0.00 H new ATOM 0 HG2 GLU A 76 26.051 6.182 10.010 1.00 0.00 H new ATOM 0 HG3 GLU A 76 24.966 7.149 9.031 1.00 0.00 H new ATOM 623 N ASN A 77 26.956 3.110 6.588 1.00 0.00 N ATOM 624 CA ASN A 77 27.090 1.797 5.966 1.00 0.00 C ATOM 625 C ASN A 77 26.125 1.650 4.794 1.00 0.00 C ATOM 626 O ASN A 77 25.519 0.596 4.604 1.00 0.00 O ATOM 627 CB ASN A 77 26.833 0.694 6.995 1.00 0.00 C ATOM 628 CG ASN A 77 25.479 0.831 7.663 1.00 0.00 C ATOM 629 OD1 ASN A 77 25.444 1.533 8.790 1.00 0.00 O flip ATOM 630 ND2 ASN A 77 24.477 0.311 7.173 1.00 0.00 N flip ATOM 0 H ASN A 77 27.842 3.553 6.833 1.00 0.00 H new ATOM 0 HA ASN A 77 28.108 1.703 5.589 1.00 0.00 H new ATOM 0 HB2 ASN A 77 26.897 -0.278 6.506 1.00 0.00 H new ATOM 0 HB3 ASN A 77 27.614 0.720 7.755 1.00 0.00 H new ATOM 0 HD21 ASN A 77 24.551 -0.220 6.305 1.00 0.00 H new ATOM 0 HD22 ASN A 77 23.573 0.411 7.635 1.00 0.00 H new ATOM 637 N ASN A 78 25.987 2.715 4.011 1.00 0.00 N ATOM 638 CA ASN A 78 25.096 2.705 2.857 1.00 0.00 C ATOM 639 C ASN A 78 23.726 2.147 3.232 1.00 0.00 C ATOM 640 O ASN A 78 23.241 1.199 2.616 1.00 0.00 O ATOM 641 CB ASN A 78 25.704 1.875 1.724 1.00 0.00 C ATOM 642 CG ASN A 78 27.089 2.355 1.335 1.00 0.00 C ATOM 643 OD1 ASN A 78 28.088 1.691 1.611 1.00 0.00 O ATOM 644 ND2 ASN A 78 27.154 3.514 0.690 1.00 0.00 N ATOM 0 H ASN A 78 26.481 3.596 4.155 1.00 0.00 H new ATOM 0 HA ASN A 78 24.970 3.733 2.518 1.00 0.00 H new ATOM 0 HB2 ASN A 78 25.757 0.830 2.031 1.00 0.00 H new ATOM 0 HB3 ASN A 78 25.049 1.919 0.854 1.00 0.00 H new ATOM 0 HD21 ASN A 78 28.059 3.888 0.402 1.00 0.00 H new ATOM 0 HD22 ASN A 78 26.299 4.031 0.482 1.00 0.00 H new ATOM 651 N ASN A 79 23.109 2.742 4.247 1.00 0.00 N ATOM 652 CA ASN A 79 21.795 2.305 4.705 1.00 0.00 C ATOM 653 C ASN A 79 20.691 2.890 3.830 1.00 0.00 C ATOM 654 O ASN A 79 20.458 4.098 3.834 1.00 0.00 O ATOM 655 CB ASN A 79 21.578 2.715 6.163 1.00 0.00 C ATOM 656 CG ASN A 79 20.666 1.757 6.904 1.00 0.00 C ATOM 657 OD1 ASN A 79 21.073 0.655 7.274 1.00 0.00 O ATOM 658 ND2 ASN A 79 19.424 2.172 7.124 1.00 0.00 N ATOM 0 H ASN A 79 23.497 3.528 4.768 1.00 0.00 H new ATOM 0 HA ASN A 79 21.755 1.218 4.630 1.00 0.00 H new ATOM 0 HB2 ASN A 79 22.541 2.762 6.671 1.00 0.00 H new ATOM 0 HB3 ASN A 79 21.151 3.717 6.196 1.00 0.00 H new ATOM 0 HD21 ASN A 79 18.765 1.570 7.617 1.00 0.00 H new ATOM 0 HD22 ASN A 79 19.129 3.093 6.800 1.00 0.00 H new ATOM 665 N ASN A 80 20.015 2.025 3.082 1.00 0.00 N ATOM 666 CA ASN A 80 18.935 2.456 2.202 1.00 0.00 C ATOM 667 C ASN A 80 17.707 1.568 2.372 1.00 0.00 C ATOM 668 O ASN A 80 17.795 0.343 2.281 1.00 0.00 O ATOM 669 CB ASN A 80 19.398 2.432 0.743 1.00 0.00 C ATOM 670 CG ASN A 80 20.748 3.095 0.554 1.00 0.00 C ATOM 671 OD1 ASN A 80 21.211 3.843 1.416 1.00 0.00 O ATOM 672 ND2 ASN A 80 21.388 2.823 -0.577 1.00 0.00 N ATOM 0 H ASN A 80 20.196 1.021 3.067 1.00 0.00 H new ATOM 0 HA ASN A 80 18.664 3.476 2.474 1.00 0.00 H new ATOM 0 HB2 ASN A 80 19.452 1.399 0.399 1.00 0.00 H new ATOM 0 HB3 ASN A 80 18.658 2.937 0.122 1.00 0.00 H new ATOM 0 HD21 ASN A 80 22.301 3.240 -0.759 1.00 0.00 H new ATOM 0 HD22 ASN A 80 20.967 2.197 -1.264 1.00 0.00 H new ATOM 679 N LYS A 81 16.561 2.193 2.619 1.00 0.00 N ATOM 680 CA LYS A 81 15.313 1.461 2.801 1.00 0.00 C ATOM 681 C LYS A 81 14.208 2.043 1.925 1.00 0.00 C ATOM 682 O LYS A 81 14.422 3.020 1.206 1.00 0.00 O ATOM 683 CB LYS A 81 14.885 1.496 4.270 1.00 0.00 C ATOM 684 CG LYS A 81 15.871 0.819 5.206 1.00 0.00 C ATOM 685 CD LYS A 81 15.592 1.170 6.658 1.00 0.00 C ATOM 686 CE LYS A 81 14.329 0.489 7.163 1.00 0.00 C ATOM 687 NZ LYS A 81 14.280 0.444 8.651 1.00 0.00 N ATOM 0 H LYS A 81 16.470 3.206 2.698 1.00 0.00 H new ATOM 0 HA LYS A 81 15.482 0.426 2.503 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.758 2.534 4.578 1.00 0.00 H new ATOM 0 HB3 LYS A 81 13.913 1.013 4.368 1.00 0.00 H new ATOM 0 HG2 LYS A 81 15.816 -0.262 5.075 1.00 0.00 H new ATOM 0 HG3 LYS A 81 16.886 1.120 4.946 1.00 0.00 H new ATOM 0 HD2 LYS A 81 16.439 0.871 7.275 1.00 0.00 H new ATOM 0 HD3 LYS A 81 15.489 2.250 6.759 1.00 0.00 H new ATOM 0 HE2 LYS A 81 13.455 1.020 6.787 1.00 0.00 H new ATOM 0 HE3 LYS A 81 14.280 -0.525 6.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 13.404 -0.028 8.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 15.101 -0.085 9.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 14.301 1.413 9.028 1.00 0.00 H new ATOM 701 N PHE A 82 13.027 1.439 1.990 1.00 0.00 N ATOM 702 CA PHE A 82 11.888 1.898 1.203 1.00 0.00 C ATOM 703 C PHE A 82 10.584 1.709 1.972 1.00 0.00 C ATOM 704 O PHE A 82 10.356 0.665 2.583 1.00 0.00 O ATOM 705 CB PHE A 82 11.823 1.144 -0.127 1.00 0.00 C ATOM 706 CG PHE A 82 11.442 -0.301 0.022 1.00 0.00 C ATOM 707 CD1 PHE A 82 12.345 -1.220 0.533 1.00 0.00 C ATOM 708 CD2 PHE A 82 10.182 -0.741 -0.351 1.00 0.00 C ATOM 709 CE1 PHE A 82 11.998 -2.551 0.671 1.00 0.00 C ATOM 710 CE2 PHE A 82 9.830 -2.071 -0.214 1.00 0.00 C ATOM 711 CZ PHE A 82 10.739 -2.977 0.296 1.00 0.00 C ATOM 0 H PHE A 82 12.833 0.630 2.580 1.00 0.00 H new ATOM 0 HA PHE A 82 12.021 2.961 1.004 1.00 0.00 H new ATOM 0 HB2 PHE A 82 11.102 1.636 -0.780 1.00 0.00 H new ATOM 0 HB3 PHE A 82 12.794 1.207 -0.619 1.00 0.00 H new ATOM 0 HD1 PHE A 82 13.331 -0.892 0.827 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.468 -0.038 -0.753 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.711 -3.257 1.072 1.00 0.00 H new ATOM 0 HE2 PHE A 82 8.844 -2.401 -0.506 1.00 0.00 H new ATOM 0 HZ PHE A 82 10.466 -4.017 0.401 1.00 0.00 H new ATOM 721 N TYR A 83 9.731 2.728 1.938 1.00 0.00 N ATOM 722 CA TYR A 83 8.451 2.676 2.634 1.00 0.00 C ATOM 723 C TYR A 83 7.292 2.828 1.654 1.00 0.00 C ATOM 724 O TYR A 83 7.216 3.807 0.912 1.00 0.00 O ATOM 725 CB TYR A 83 8.381 3.773 3.698 1.00 0.00 C ATOM 726 CG TYR A 83 7.437 3.454 4.835 1.00 0.00 C ATOM 727 CD1 TYR A 83 6.118 3.091 4.589 1.00 0.00 C ATOM 728 CD2 TYR A 83 7.864 3.515 6.156 1.00 0.00 C ATOM 729 CE1 TYR A 83 5.252 2.799 5.625 1.00 0.00 C ATOM 730 CE2 TYR A 83 7.005 3.223 7.198 1.00 0.00 C ATOM 731 CZ TYR A 83 5.700 2.867 6.928 1.00 0.00 C ATOM 732 OH TYR A 83 4.841 2.575 7.962 1.00 0.00 O ATOM 0 H TYR A 83 9.903 3.599 1.436 1.00 0.00 H new ATOM 0 HA TYR A 83 8.368 1.703 3.118 1.00 0.00 H new ATOM 0 HB2 TYR A 83 9.380 3.940 4.102 1.00 0.00 H new ATOM 0 HB3 TYR A 83 8.068 4.705 3.227 1.00 0.00 H new ATOM 0 HD1 TYR A 83 5.764 3.036 3.570 1.00 0.00 H new ATOM 0 HD2 TYR A 83 8.884 3.795 6.372 1.00 0.00 H new ATOM 0 HE1 TYR A 83 4.230 2.519 5.416 1.00 0.00 H new ATOM 0 HE2 TYR A 83 7.354 3.273 8.219 1.00 0.00 H new ATOM 0 HH TYR A 83 5.313 2.669 8.816 1.00 0.00 H new ATOM 742 N ILE A 84 6.391 1.851 1.657 1.00 0.00 N ATOM 743 CA ILE A 84 5.235 1.875 0.771 1.00 0.00 C ATOM 744 C ILE A 84 3.934 1.926 1.565 1.00 0.00 C ATOM 745 O ILE A 84 3.785 1.238 2.575 1.00 0.00 O ATOM 746 CB ILE A 84 5.210 0.645 -0.156 1.00 0.00 C ATOM 747 CG1 ILE A 84 6.440 0.640 -1.066 1.00 0.00 C ATOM 748 CG2 ILE A 84 3.932 0.631 -0.982 1.00 0.00 C ATOM 749 CD1 ILE A 84 6.568 -0.614 -1.902 1.00 0.00 C ATOM 0 H ILE A 84 6.440 1.033 2.264 1.00 0.00 H new ATOM 0 HA ILE A 84 5.322 2.776 0.163 1.00 0.00 H new ATOM 0 HB ILE A 84 5.233 -0.255 0.458 1.00 0.00 H new ATOM 0 HG12 ILE A 84 6.396 1.505 -1.728 1.00 0.00 H new ATOM 0 HG13 ILE A 84 7.335 0.752 -0.454 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.929 -0.244 -1.632 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.069 0.592 -0.317 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.881 1.535 -1.589 1.00 0.00 H new ATOM 0 HD11 ILE A 84 7.462 -0.548 -2.522 1.00 0.00 H new ATOM 0 HD12 ILE A 84 6.644 -1.482 -1.247 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.690 -0.717 -2.540 1.00 0.00 H new ATOM 761 N ILE A 85 2.995 2.743 1.100 1.00 0.00 N ATOM 762 CA ILE A 85 1.705 2.881 1.765 1.00 0.00 C ATOM 763 C ILE A 85 0.565 2.914 0.753 1.00 0.00 C ATOM 764 O ILE A 85 0.415 3.880 0.005 1.00 0.00 O ATOM 765 CB ILE A 85 1.650 4.157 2.626 1.00 0.00 C ATOM 766 CG1 ILE A 85 2.756 4.133 3.683 1.00 0.00 C ATOM 767 CG2 ILE A 85 0.284 4.293 3.284 1.00 0.00 C ATOM 768 CD1 ILE A 85 3.084 5.499 4.244 1.00 0.00 C ATOM 0 H ILE A 85 3.103 3.319 0.265 1.00 0.00 H new ATOM 0 HA ILE A 85 1.588 2.011 2.411 1.00 0.00 H new ATOM 0 HB ILE A 85 1.809 5.021 1.980 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.454 3.477 4.499 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.657 3.703 3.245 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.260 5.199 3.889 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.486 4.350 2.515 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.099 3.427 3.920 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.876 5.407 4.987 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.417 6.153 3.438 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.195 5.923 4.711 1.00 0.00 H new ATOM 780 N GLN A 86 -0.236 1.854 0.737 1.00 0.00 N ATOM 781 CA GLN A 86 -1.363 1.762 -0.183 1.00 0.00 C ATOM 782 C GLN A 86 -2.655 1.458 0.568 1.00 0.00 C ATOM 783 O GLN A 86 -2.648 0.748 1.575 1.00 0.00 O ATOM 784 CB GLN A 86 -1.104 0.683 -1.235 1.00 0.00 C ATOM 785 CG GLN A 86 0.257 0.797 -1.902 1.00 0.00 C ATOM 786 CD GLN A 86 0.620 -0.438 -2.703 1.00 0.00 C ATOM 787 OE1 GLN A 86 1.721 -0.974 -2.574 1.00 0.00 O ATOM 788 NE2 GLN A 86 -0.306 -0.895 -3.537 1.00 0.00 N ATOM 0 H GLN A 86 -0.125 1.047 1.351 1.00 0.00 H new ATOM 0 HA GLN A 86 -1.472 2.725 -0.681 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -1.188 -0.297 -0.766 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -1.879 0.739 -1.999 1.00 0.00 H new ATOM 0 HG2 GLN A 86 0.263 1.666 -2.559 1.00 0.00 H new ATOM 0 HG3 GLN A 86 1.018 0.968 -1.140 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -1.205 -0.419 -3.611 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -0.119 -1.722 -4.103 1.00 0.00 H new ATOM 797 N LEU A 87 -3.763 1.998 0.073 1.00 0.00 N ATOM 798 CA LEU A 87 -5.064 1.784 0.697 1.00 0.00 C ATOM 799 C LEU A 87 -5.899 0.794 -0.110 1.00 0.00 C ATOM 800 O LEU A 87 -6.392 1.119 -1.191 1.00 0.00 O ATOM 801 CB LEU A 87 -5.812 3.111 0.830 1.00 0.00 C ATOM 802 CG LEU A 87 -6.778 3.222 2.010 1.00 0.00 C ATOM 803 CD1 LEU A 87 -6.882 4.664 2.481 1.00 0.00 C ATOM 804 CD2 LEU A 87 -8.149 2.683 1.630 1.00 0.00 C ATOM 0 H LEU A 87 -3.787 2.588 -0.759 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.899 1.366 1.690 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.078 3.912 0.911 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.372 3.283 -0.089 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.388 2.620 2.831 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.574 4.723 3.321 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.899 5.016 2.795 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.248 5.288 1.665 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.823 2.770 2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.546 3.257 0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.061 1.635 1.343 1.00 0.00 H new ATOM 816 N LEU A 88 -6.056 -0.412 0.423 1.00 0.00 N ATOM 817 CA LEU A 88 -6.834 -1.449 -0.246 1.00 0.00 C ATOM 818 C LEU A 88 -8.276 -1.452 0.250 1.00 0.00 C ATOM 819 O LEU A 88 -8.552 -1.074 1.388 1.00 0.00 O ATOM 820 CB LEU A 88 -6.199 -2.821 -0.012 1.00 0.00 C ATOM 821 CG LEU A 88 -4.691 -2.912 -0.248 1.00 0.00 C ATOM 822 CD1 LEU A 88 -4.148 -4.234 0.273 1.00 0.00 C ATOM 823 CD2 LEU A 88 -4.372 -2.749 -1.727 1.00 0.00 C ATOM 0 H LEU A 88 -5.655 -0.696 1.317 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.837 -1.235 -1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.405 -3.124 1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.693 -3.543 -0.662 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.208 -2.103 0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.073 -4.281 0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.344 -4.312 1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.637 -5.058 -0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.294 -2.816 -1.876 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.867 -3.537 -2.295 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.726 -1.777 -2.071 1.00 0.00 H new ATOM 835 N GLN A 89 -9.192 -1.884 -0.612 1.00 0.00 N ATOM 836 CA GLN A 89 -10.606 -1.937 -0.261 1.00 0.00 C ATOM 837 C GLN A 89 -11.129 -3.368 -0.327 1.00 0.00 C ATOM 838 O GLN A 89 -10.729 -4.147 -1.193 1.00 0.00 O ATOM 839 CB GLN A 89 -11.419 -1.040 -1.196 1.00 0.00 C ATOM 840 CG GLN A 89 -12.911 -1.053 -0.905 1.00 0.00 C ATOM 841 CD GLN A 89 -13.650 -2.120 -1.690 1.00 0.00 C ATOM 842 OE1 GLN A 89 -13.342 -3.308 -1.587 1.00 0.00 O ATOM 843 NE2 GLN A 89 -14.631 -1.701 -2.480 1.00 0.00 N ATOM 0 H GLN A 89 -8.980 -2.202 -1.558 1.00 0.00 H new ATOM 0 HA GLN A 89 -10.715 -1.576 0.762 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.050 -0.017 -1.116 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -11.255 -1.359 -2.225 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -13.068 -1.218 0.161 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -13.332 -0.076 -1.142 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.852 -0.707 -2.535 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -15.163 -2.373 -3.032 1.00 0.00 H new ATOM 852 N ASP A 90 -12.025 -3.708 0.593 1.00 0.00 N ATOM 853 CA ASP A 90 -12.604 -5.046 0.639 1.00 0.00 C ATOM 854 C ASP A 90 -14.088 -5.008 0.289 1.00 0.00 C ATOM 855 O ASP A 90 -14.708 -3.945 0.286 1.00 0.00 O ATOM 856 CB ASP A 90 -12.409 -5.662 2.026 1.00 0.00 C ATOM 857 CG ASP A 90 -11.093 -5.257 2.660 1.00 0.00 C ATOM 858 OD1 ASP A 90 -11.054 -4.200 3.324 1.00 0.00 O ATOM 859 OD2 ASP A 90 -10.102 -5.997 2.492 1.00 0.00 O ATOM 0 H ASP A 90 -12.366 -3.076 1.317 1.00 0.00 H new ATOM 0 HA ASP A 90 -12.091 -5.663 -0.099 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -13.230 -5.357 2.674 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -12.452 -6.748 1.947 1.00 0.00 H new ATOM 864 N SER A 91 -14.651 -6.175 -0.007 1.00 0.00 N ATOM 865 CA SER A 91 -16.061 -6.275 -0.363 1.00 0.00 C ATOM 866 C SER A 91 -16.949 -5.928 0.828 1.00 0.00 C ATOM 867 O SER A 91 -18.115 -5.571 0.664 1.00 0.00 O ATOM 868 CB SER A 91 -16.385 -7.685 -0.861 1.00 0.00 C ATOM 869 OG SER A 91 -17.509 -7.676 -1.724 1.00 0.00 O ATOM 0 H SER A 91 -14.152 -7.065 -0.007 1.00 0.00 H new ATOM 0 HA SER A 91 -16.259 -5.561 -1.162 1.00 0.00 H new ATOM 0 HB2 SER A 91 -15.523 -8.095 -1.386 1.00 0.00 H new ATOM 0 HB3 SER A 91 -16.581 -8.338 -0.011 1.00 0.00 H new ATOM 0 HG SER A 91 -17.694 -8.589 -2.029 1.00 0.00 H new ATOM 875 N ASN A 92 -16.387 -6.035 2.028 1.00 0.00 N ATOM 876 CA ASN A 92 -17.126 -5.733 3.248 1.00 0.00 C ATOM 877 C ASN A 92 -17.077 -4.240 3.558 1.00 0.00 C ATOM 878 O ASN A 92 -16.850 -3.841 4.700 1.00 0.00 O ATOM 879 CB ASN A 92 -16.557 -6.529 4.424 1.00 0.00 C ATOM 880 CG ASN A 92 -17.215 -7.886 4.577 1.00 0.00 C ATOM 881 OD1 ASN A 92 -17.884 -8.155 5.575 1.00 0.00 O ATOM 882 ND2 ASN A 92 -17.028 -8.750 3.585 1.00 0.00 N ATOM 0 H ASN A 92 -15.422 -6.329 2.181 1.00 0.00 H new ATOM 0 HA ASN A 92 -18.166 -6.020 3.094 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -15.484 -6.662 4.284 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -16.690 -5.958 5.343 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -17.447 -9.679 3.632 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.466 -8.484 2.776 1.00 0.00 H new ATOM 889 N ARG A 93 -17.293 -3.421 2.534 1.00 0.00 N ATOM 890 CA ARG A 93 -17.273 -1.973 2.697 1.00 0.00 C ATOM 891 C ARG A 93 -16.205 -1.553 3.702 1.00 0.00 C ATOM 892 O ARG A 93 -16.390 -0.600 4.460 1.00 0.00 O ATOM 893 CB ARG A 93 -18.644 -1.471 3.155 1.00 0.00 C ATOM 894 CG ARG A 93 -19.072 -2.016 4.508 1.00 0.00 C ATOM 895 CD ARG A 93 -20.535 -1.715 4.793 1.00 0.00 C ATOM 896 NE ARG A 93 -20.726 -0.359 5.299 1.00 0.00 N ATOM 897 CZ ARG A 93 -20.560 -0.019 6.572 1.00 0.00 C ATOM 898 NH1 ARG A 93 -20.200 -0.932 7.464 1.00 0.00 N ATOM 899 NH2 ARG A 93 -20.752 1.236 6.956 1.00 0.00 N ATOM 0 H ARG A 93 -17.484 -3.736 1.583 1.00 0.00 H new ATOM 0 HA ARG A 93 -17.034 -1.528 1.731 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -18.626 -0.382 3.201 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -19.390 -1.746 2.409 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -18.909 -3.093 4.535 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -18.451 -1.580 5.290 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -21.117 -1.847 3.881 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -20.917 -2.431 5.521 1.00 0.00 H new ATOM 0 HE ARG A 93 -21.002 0.367 4.638 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -20.050 -1.898 7.173 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -20.073 -0.668 8.441 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -21.028 1.942 6.273 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -20.624 1.495 7.934 1.00 0.00 H new ATOM 913 N PHE A 94 -15.087 -2.272 3.704 1.00 0.00 N ATOM 914 CA PHE A 94 -13.989 -1.975 4.617 1.00 0.00 C ATOM 915 C PHE A 94 -12.704 -1.686 3.846 1.00 0.00 C ATOM 916 O PHE A 94 -12.702 -1.639 2.616 1.00 0.00 O ATOM 917 CB PHE A 94 -13.768 -3.144 5.579 1.00 0.00 C ATOM 918 CG PHE A 94 -14.849 -3.284 6.612 1.00 0.00 C ATOM 919 CD1 PHE A 94 -15.319 -2.174 7.296 1.00 0.00 C ATOM 920 CD2 PHE A 94 -15.397 -4.524 6.898 1.00 0.00 C ATOM 921 CE1 PHE A 94 -16.314 -2.299 8.247 1.00 0.00 C ATOM 922 CE2 PHE A 94 -16.393 -4.655 7.847 1.00 0.00 C ATOM 923 CZ PHE A 94 -16.851 -3.541 8.523 1.00 0.00 C ATOM 0 H PHE A 94 -14.918 -3.064 3.084 1.00 0.00 H new ATOM 0 HA PHE A 94 -14.256 -1.087 5.190 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -13.703 -4.069 5.005 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -12.810 -3.013 6.083 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -14.903 -1.200 7.083 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -15.042 -5.398 6.373 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -16.671 -1.426 8.774 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -16.813 -5.627 8.060 1.00 0.00 H new ATOM 0 HZ PHE A 94 -17.628 -3.641 9.266 1.00 0.00 H new ATOM 933 N PHE A 95 -11.612 -1.493 4.579 1.00 0.00 N ATOM 934 CA PHE A 95 -10.321 -1.207 3.966 1.00 0.00 C ATOM 935 C PHE A 95 -9.181 -1.760 4.816 1.00 0.00 C ATOM 936 O PHE A 95 -9.370 -2.103 5.983 1.00 0.00 O ATOM 937 CB PHE A 95 -10.145 0.301 3.776 1.00 0.00 C ATOM 938 CG PHE A 95 -11.221 0.929 2.936 1.00 0.00 C ATOM 939 CD1 PHE A 95 -12.456 1.234 3.484 1.00 0.00 C ATOM 940 CD2 PHE A 95 -10.996 1.214 1.599 1.00 0.00 C ATOM 941 CE1 PHE A 95 -13.448 1.812 2.714 1.00 0.00 C ATOM 942 CE2 PHE A 95 -11.984 1.792 0.825 1.00 0.00 C ATOM 943 CZ PHE A 95 -13.212 2.090 1.383 1.00 0.00 C ATOM 0 H PHE A 95 -11.596 -1.530 5.598 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.294 -1.694 2.991 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -10.130 0.783 4.753 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -9.177 0.490 3.313 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -12.646 1.018 4.525 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.038 0.982 1.157 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -14.406 2.046 3.153 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -11.796 2.011 -0.216 1.00 0.00 H new ATOM 0 HZ PHE A 95 -13.986 2.540 0.779 1.00 0.00 H new ATOM 953 N THR A 96 -7.994 -1.845 4.222 1.00 0.00 N ATOM 954 CA THR A 96 -6.824 -2.357 4.922 1.00 0.00 C ATOM 955 C THR A 96 -5.566 -1.595 4.521 1.00 0.00 C ATOM 956 O THR A 96 -5.220 -1.526 3.341 1.00 0.00 O ATOM 957 CB THR A 96 -6.612 -3.857 4.640 1.00 0.00 C ATOM 958 OG1 THR A 96 -7.800 -4.588 4.965 1.00 0.00 O ATOM 959 CG2 THR A 96 -5.441 -4.399 5.445 1.00 0.00 C ATOM 0 H THR A 96 -7.819 -1.565 3.257 1.00 0.00 H new ATOM 0 HA THR A 96 -7.007 -2.217 5.987 1.00 0.00 H new ATOM 0 HB THR A 96 -6.390 -3.977 3.580 1.00 0.00 H new ATOM 0 HG1 THR A 96 -7.665 -5.075 5.805 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.311 -5.459 5.229 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.533 -3.860 5.175 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.639 -4.267 6.509 1.00 0.00 H new ATOM 967 N CYS A 97 -4.885 -1.025 5.510 1.00 0.00 N ATOM 968 CA CYS A 97 -3.665 -0.267 5.260 1.00 0.00 C ATOM 969 C CYS A 97 -2.457 -1.194 5.174 1.00 0.00 C ATOM 970 O CYS A 97 -1.964 -1.683 6.190 1.00 0.00 O ATOM 971 CB CYS A 97 -3.449 0.771 6.363 1.00 0.00 C ATOM 972 SG CYS A 97 -4.333 2.325 6.097 1.00 0.00 S ATOM 0 H CYS A 97 -5.158 -1.074 6.492 1.00 0.00 H new ATOM 0 HA CYS A 97 -3.775 0.246 4.305 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -3.764 0.344 7.315 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -2.383 0.981 6.445 1.00 0.00 H new ATOM 0 HG CYS A 97 -5.050 2.601 7.146 1.00 0.00 H new ATOM 978 N TRP A 98 -1.987 -1.433 3.955 1.00 0.00 N ATOM 979 CA TRP A 98 -0.837 -2.303 3.736 1.00 0.00 C ATOM 980 C TRP A 98 0.463 -1.508 3.776 1.00 0.00 C ATOM 981 O TRP A 98 0.741 -0.710 2.882 1.00 0.00 O ATOM 982 CB TRP A 98 -0.966 -3.026 2.394 1.00 0.00 C ATOM 983 CG TRP A 98 0.291 -3.722 1.971 1.00 0.00 C ATOM 984 CD1 TRP A 98 1.135 -3.349 0.964 1.00 0.00 C ATOM 985 CD2 TRP A 98 0.846 -4.912 2.541 1.00 0.00 C ATOM 986 NE1 TRP A 98 2.181 -4.235 0.874 1.00 0.00 N ATOM 987 CE2 TRP A 98 2.027 -5.203 1.831 1.00 0.00 C ATOM 988 CE3 TRP A 98 0.460 -5.760 3.583 1.00 0.00 C ATOM 989 CZ2 TRP A 98 2.823 -6.306 2.131 1.00 0.00 C ATOM 990 CZ3 TRP A 98 1.251 -6.854 3.879 1.00 0.00 C ATOM 991 CH2 TRP A 98 2.422 -7.118 3.156 1.00 0.00 C ATOM 0 H TRP A 98 -2.384 -1.037 3.103 1.00 0.00 H new ATOM 0 HA TRP A 98 -0.814 -3.041 4.538 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -1.773 -3.756 2.459 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -1.249 -2.305 1.627 1.00 0.00 H new ATOM 0 HD1 TRP A 98 1.000 -2.484 0.331 1.00 0.00 H new ATOM 0 HE1 TRP A 98 2.948 -4.181 0.204 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -0.440 -5.564 4.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 3.725 -6.513 1.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 0.962 -7.517 4.681 1.00 0.00 H new ATOM 0 HH2 TRP A 98 3.020 -7.980 3.413 1.00 0.00 H new ATOM 1002 N ASN A 99 1.257 -1.731 4.819 1.00 0.00 N ATOM 1003 CA ASN A 99 2.528 -1.034 4.975 1.00 0.00 C ATOM 1004 C ASN A 99 3.699 -2.006 4.860 1.00 0.00 C ATOM 1005 O ASN A 99 3.835 -2.927 5.665 1.00 0.00 O ATOM 1006 CB ASN A 99 2.578 -0.316 6.324 1.00 0.00 C ATOM 1007 CG ASN A 99 1.223 0.221 6.744 1.00 0.00 C ATOM 1008 OD1 ASN A 99 0.738 -0.072 7.837 1.00 0.00 O ATOM 1009 ND2 ASN A 99 0.605 1.011 5.874 1.00 0.00 N ATOM 0 H ASN A 99 1.042 -2.389 5.568 1.00 0.00 H new ATOM 0 HA ASN A 99 2.610 -0.297 4.176 1.00 0.00 H new ATOM 0 HB2 ASN A 99 2.945 -1.004 7.085 1.00 0.00 H new ATOM 0 HB3 ASN A 99 3.291 0.507 6.268 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -0.310 1.402 6.100 1.00 0.00 H new ATOM 0 HD22 ASN A 99 1.045 1.227 4.979 1.00 0.00 H new ATOM 1016 N ARG A 100 4.541 -1.794 3.854 1.00 0.00 N ATOM 1017 CA ARG A 100 5.699 -2.651 3.633 1.00 0.00 C ATOM 1018 C ARG A 100 6.988 -1.833 3.630 1.00 0.00 C ATOM 1019 O ARG A 100 7.224 -1.033 2.725 1.00 0.00 O ATOM 1020 CB ARG A 100 5.558 -3.405 2.309 1.00 0.00 C ATOM 1021 CG ARG A 100 6.794 -4.203 1.928 1.00 0.00 C ATOM 1022 CD ARG A 100 6.466 -5.285 0.911 1.00 0.00 C ATOM 1023 NE ARG A 100 6.423 -4.761 -0.451 1.00 0.00 N ATOM 1024 CZ ARG A 100 7.499 -4.607 -1.214 1.00 0.00 C ATOM 1025 NH1 ARG A 100 8.697 -4.935 -0.751 1.00 0.00 N ATOM 1026 NH2 ARG A 100 7.378 -4.124 -2.444 1.00 0.00 N ATOM 0 H ARG A 100 4.443 -1.036 3.179 1.00 0.00 H new ATOM 0 HA ARG A 100 5.747 -3.371 4.450 1.00 0.00 H new ATOM 0 HB2 ARG A 100 4.705 -4.081 2.375 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.338 -2.691 1.516 1.00 0.00 H new ATOM 0 HG2 ARG A 100 7.549 -3.533 1.517 1.00 0.00 H new ATOM 0 HG3 ARG A 100 7.224 -4.659 2.820 1.00 0.00 H new ATOM 0 HD2 ARG A 100 7.212 -6.077 0.971 1.00 0.00 H new ATOM 0 HD3 ARG A 100 5.504 -5.734 1.157 1.00 0.00 H new ATOM 0 HE ARG A 100 5.516 -4.499 -0.838 1.00 0.00 H new ATOM 0 HH11 ARG A 100 8.794 -5.307 0.194 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.521 -4.816 -1.340 1.00 0.00 H new ATOM 0 HH21 ARG A 100 6.458 -3.871 -2.804 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.205 -4.006 -3.029 1.00 0.00 H new ATOM 1040 N TRP A 101 7.815 -2.040 4.647 1.00 0.00 N ATOM 1041 CA TRP A 101 9.080 -1.322 4.762 1.00 0.00 C ATOM 1042 C TRP A 101 10.255 -2.292 4.811 1.00 0.00 C ATOM 1043 O TRP A 101 10.077 -3.486 5.050 1.00 0.00 O ATOM 1044 CB TRP A 101 9.078 -0.441 6.013 1.00 0.00 C ATOM 1045 CG TRP A 101 9.055 -1.224 7.291 1.00 0.00 C ATOM 1046 CD1 TRP A 101 10.123 -1.799 7.918 1.00 0.00 C ATOM 1047 CD2 TRP A 101 7.908 -1.519 8.095 1.00 0.00 C ATOM 1048 NE1 TRP A 101 9.709 -2.433 9.064 1.00 0.00 N ATOM 1049 CE2 TRP A 101 8.355 -2.275 9.196 1.00 0.00 C ATOM 1050 CE3 TRP A 101 6.548 -1.215 7.994 1.00 0.00 C ATOM 1051 CZ2 TRP A 101 7.488 -2.733 10.185 1.00 0.00 C ATOM 1052 CZ3 TRP A 101 5.689 -1.670 8.976 1.00 0.00 C ATOM 1053 CH2 TRP A 101 6.161 -2.421 10.060 1.00 0.00 C ATOM 0 H TRP A 101 7.633 -2.699 5.404 1.00 0.00 H new ATOM 0 HA TRP A 101 9.191 -0.690 3.881 1.00 0.00 H new ATOM 0 HB2 TRP A 101 9.962 0.196 6.001 1.00 0.00 H new ATOM 0 HB3 TRP A 101 8.210 0.218 5.983 1.00 0.00 H new ATOM 0 HD1 TRP A 101 11.143 -1.761 7.565 1.00 0.00 H new ATOM 0 HE1 TRP A 101 10.312 -2.940 9.712 1.00 0.00 H new ATOM 0 HE3 TRP A 101 6.175 -0.635 7.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 7.850 -3.314 11.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 4.635 -1.443 8.907 1.00 0.00 H new ATOM 0 HH2 TRP A 101 5.464 -2.761 10.812 1.00 0.00 H new ATOM 1064 N GLY A 102 11.457 -1.771 4.583 1.00 0.00 N ATOM 1065 CA GLY A 102 12.643 -2.607 4.606 1.00 0.00 C ATOM 1066 C GLY A 102 13.772 -2.033 3.772 1.00 0.00 C ATOM 1067 O GLY A 102 13.685 -0.903 3.291 1.00 0.00 O ATOM 0 H GLY A 102 11.630 -0.786 4.383 1.00 0.00 H new ATOM 0 HA2 GLY A 102 12.980 -2.726 5.636 1.00 0.00 H new ATOM 0 HA3 GLY A 102 12.391 -3.601 4.236 1.00 0.00 H new ATOM 1071 N ARG A 103 14.836 -2.812 3.603 1.00 0.00 N ATOM 1072 CA ARG A 103 15.988 -2.373 2.825 1.00 0.00 C ATOM 1073 C ARG A 103 15.659 -2.345 1.335 1.00 0.00 C ATOM 1074 O ARG A 103 14.979 -3.233 0.821 1.00 0.00 O ATOM 1075 CB ARG A 103 17.181 -3.296 3.076 1.00 0.00 C ATOM 1076 CG ARG A 103 18.527 -2.601 2.947 1.00 0.00 C ATOM 1077 CD ARG A 103 19.601 -3.312 3.756 1.00 0.00 C ATOM 1078 NE ARG A 103 20.941 -2.832 3.427 1.00 0.00 N ATOM 1079 CZ ARG A 103 21.671 -3.318 2.430 1.00 0.00 C ATOM 1080 NH1 ARG A 103 21.194 -4.292 1.667 1.00 0.00 N ATOM 1081 NH2 ARG A 103 22.882 -2.829 2.193 1.00 0.00 N ATOM 0 H ARG A 103 14.924 -3.750 3.994 1.00 0.00 H new ATOM 0 HA ARG A 103 16.245 -1.362 3.142 1.00 0.00 H new ATOM 0 HB2 ARG A 103 17.096 -3.722 4.076 1.00 0.00 H new ATOM 0 HB3 ARG A 103 17.142 -4.127 2.371 1.00 0.00 H new ATOM 0 HG2 ARG A 103 18.822 -2.568 1.898 1.00 0.00 H new ATOM 0 HG3 ARG A 103 18.439 -1.569 3.285 1.00 0.00 H new ATOM 0 HD2 ARG A 103 19.413 -3.162 4.819 1.00 0.00 H new ATOM 0 HD3 ARG A 103 19.544 -4.385 3.570 1.00 0.00 H new ATOM 0 HE ARG A 103 21.337 -2.083 3.994 1.00 0.00 H new ATOM 0 HH11 ARG A 103 20.264 -4.670 1.845 1.00 0.00 H new ATOM 0 HH12 ARG A 103 21.757 -4.663 0.902 1.00 0.00 H new ATOM 0 HH21 ARG A 103 23.253 -2.079 2.777 1.00 0.00 H new ATOM 0 HH22 ARG A 103 23.442 -3.203 1.427 1.00 0.00 H new ATOM 1095 N VAL A 104 16.145 -1.317 0.646 1.00 0.00 N ATOM 1096 CA VAL A 104 15.903 -1.173 -0.784 1.00 0.00 C ATOM 1097 C VAL A 104 16.366 -2.409 -1.548 1.00 0.00 C ATOM 1098 O VAL A 104 17.556 -2.718 -1.587 1.00 0.00 O ATOM 1099 CB VAL A 104 16.621 0.066 -1.353 1.00 0.00 C ATOM 1100 CG1 VAL A 104 16.452 0.135 -2.863 1.00 0.00 C ATOM 1101 CG2 VAL A 104 16.100 1.333 -0.691 1.00 0.00 C ATOM 0 H VAL A 104 16.709 -0.572 1.056 1.00 0.00 H new ATOM 0 HA VAL A 104 14.827 -1.052 -0.912 1.00 0.00 H new ATOM 0 HB VAL A 104 17.686 -0.020 -1.135 1.00 0.00 H new ATOM 0 HG11 VAL A 104 16.966 1.016 -3.247 1.00 0.00 H new ATOM 0 HG12 VAL A 104 16.877 -0.760 -3.318 1.00 0.00 H new ATOM 0 HG13 VAL A 104 15.392 0.198 -3.108 1.00 0.00 H new ATOM 0 HG21 VAL A 104 16.618 2.199 -1.104 1.00 0.00 H new ATOM 0 HG22 VAL A 104 15.030 1.427 -0.877 1.00 0.00 H new ATOM 0 HG23 VAL A 104 16.279 1.282 0.383 1.00 0.00 H new ATOM 1111 N GLY A 105 15.415 -3.114 -2.154 1.00 0.00 N ATOM 1112 CA GLY A 105 15.745 -4.309 -2.908 1.00 0.00 C ATOM 1113 C GLY A 105 15.126 -5.559 -2.315 1.00 0.00 C ATOM 1114 O GLY A 105 14.670 -6.439 -3.044 1.00 0.00 O ATOM 0 H GLY A 105 14.423 -2.879 -2.136 1.00 0.00 H new ATOM 0 HA2 GLY A 105 15.404 -4.191 -3.937 1.00 0.00 H new ATOM 0 HA3 GLY A 105 16.828 -4.425 -2.943 1.00 0.00 H new ATOM 1118 N GLU A 106 15.111 -5.637 -0.988 1.00 0.00 N ATOM 1119 CA GLU A 106 14.545 -6.790 -0.298 1.00 0.00 C ATOM 1120 C GLU A 106 13.069 -6.566 0.017 1.00 0.00 C ATOM 1121 O GLU A 106 12.550 -5.461 -0.141 1.00 0.00 O ATOM 1122 CB GLU A 106 15.316 -7.069 0.994 1.00 0.00 C ATOM 1123 CG GLU A 106 14.998 -6.093 2.115 1.00 0.00 C ATOM 1124 CD GLU A 106 15.570 -6.531 3.450 1.00 0.00 C ATOM 1125 OE1 GLU A 106 16.639 -7.177 3.453 1.00 0.00 O ATOM 1126 OE2 GLU A 106 14.948 -6.229 4.490 1.00 0.00 O ATOM 0 H GLU A 106 15.484 -4.916 -0.370 1.00 0.00 H new ATOM 0 HA GLU A 106 14.631 -7.653 -0.958 1.00 0.00 H new ATOM 0 HB2 GLU A 106 15.091 -8.081 1.330 1.00 0.00 H new ATOM 0 HB3 GLU A 106 16.385 -7.033 0.784 1.00 0.00 H new ATOM 0 HG2 GLU A 106 15.394 -5.110 1.859 1.00 0.00 H new ATOM 0 HG3 GLU A 106 13.917 -5.988 2.204 1.00 0.00 H new ATOM 1133 N VAL A 107 12.397 -7.623 0.462 1.00 0.00 N ATOM 1134 CA VAL A 107 10.981 -7.543 0.799 1.00 0.00 C ATOM 1135 C VAL A 107 10.761 -6.695 2.047 1.00 0.00 C ATOM 1136 O VAL A 107 9.890 -5.826 2.073 1.00 0.00 O ATOM 1137 CB VAL A 107 10.379 -8.942 1.030 1.00 0.00 C ATOM 1138 CG1 VAL A 107 8.922 -8.833 1.454 1.00 0.00 C ATOM 1139 CG2 VAL A 107 10.516 -9.794 -0.223 1.00 0.00 C ATOM 0 H VAL A 107 12.811 -8.545 0.598 1.00 0.00 H new ATOM 0 HA VAL A 107 10.480 -7.075 -0.048 1.00 0.00 H new ATOM 0 HB VAL A 107 10.931 -9.428 1.834 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.514 -9.831 1.613 1.00 0.00 H new ATOM 0 HG12 VAL A 107 8.854 -8.262 2.380 1.00 0.00 H new ATOM 0 HG13 VAL A 107 8.353 -8.328 0.674 1.00 0.00 H new ATOM 0 HG21 VAL A 107 10.086 -10.779 -0.042 1.00 0.00 H new ATOM 0 HG22 VAL A 107 9.990 -9.314 -1.048 1.00 0.00 H new ATOM 0 HG23 VAL A 107 11.571 -9.900 -0.477 1.00 0.00 H new ATOM 1149 N GLY A 108 11.556 -6.953 3.080 1.00 0.00 N ATOM 1150 CA GLY A 108 11.432 -6.204 4.317 1.00 0.00 C ATOM 1151 C GLY A 108 10.360 -6.766 5.230 1.00 0.00 C ATOM 1152 O GLY A 108 9.864 -7.870 5.008 1.00 0.00 O ATOM 0 H GLY A 108 12.284 -7.667 3.083 1.00 0.00 H new ATOM 0 HA2 GLY A 108 12.389 -6.209 4.839 1.00 0.00 H new ATOM 0 HA3 GLY A 108 11.200 -5.164 4.087 1.00 0.00 H new ATOM 1156 N GLN A 109 10.004 -6.005 6.260 1.00 0.00 N ATOM 1157 CA GLN A 109 8.986 -6.435 7.211 1.00 0.00 C ATOM 1158 C GLN A 109 7.602 -6.423 6.569 1.00 0.00 C ATOM 1159 O GLN A 109 7.446 -6.021 5.416 1.00 0.00 O ATOM 1160 CB GLN A 109 8.997 -5.532 8.445 1.00 0.00 C ATOM 1161 CG GLN A 109 9.928 -6.017 9.545 1.00 0.00 C ATOM 1162 CD GLN A 109 9.500 -7.349 10.128 1.00 0.00 C ATOM 1163 OE1 GLN A 109 10.243 -8.330 10.077 1.00 0.00 O ATOM 1164 NE2 GLN A 109 8.295 -7.392 10.686 1.00 0.00 N ATOM 0 H GLN A 109 10.405 -5.088 6.457 1.00 0.00 H new ATOM 0 HA GLN A 109 9.217 -7.456 7.515 1.00 0.00 H new ATOM 0 HB2 GLN A 109 9.293 -4.526 8.147 1.00 0.00 H new ATOM 0 HB3 GLN A 109 7.984 -5.461 8.842 1.00 0.00 H new ATOM 0 HG2 GLN A 109 10.939 -6.107 9.147 1.00 0.00 H new ATOM 0 HG3 GLN A 109 9.964 -5.272 10.340 1.00 0.00 H new ATOM 0 HE21 GLN A 109 7.712 -6.555 10.706 1.00 0.00 H new ATOM 0 HE22 GLN A 109 7.953 -8.262 11.094 1.00 0.00 H new ATOM 1173 N SER A 110 6.602 -6.866 7.324 1.00 0.00 N ATOM 1174 CA SER A 110 5.231 -6.910 6.827 1.00 0.00 C ATOM 1175 C SER A 110 4.255 -6.394 7.880 1.00 0.00 C ATOM 1176 O SER A 110 4.140 -6.960 8.967 1.00 0.00 O ATOM 1177 CB SER A 110 4.858 -8.338 6.425 1.00 0.00 C ATOM 1178 OG SER A 110 4.699 -9.164 7.565 1.00 0.00 O ATOM 0 H SER A 110 6.715 -7.199 8.281 1.00 0.00 H new ATOM 0 HA SER A 110 5.167 -6.265 5.951 1.00 0.00 H new ATOM 0 HB2 SER A 110 3.933 -8.327 5.848 1.00 0.00 H new ATOM 0 HB3 SER A 110 5.632 -8.751 5.778 1.00 0.00 H new ATOM 0 HG SER A 110 4.389 -8.622 8.321 1.00 0.00 H new ATOM 1184 N LYS A 111 3.554 -5.315 7.549 1.00 0.00 N ATOM 1185 CA LYS A 111 2.586 -4.722 8.464 1.00 0.00 C ATOM 1186 C LYS A 111 1.248 -4.494 7.768 1.00 0.00 C ATOM 1187 O LYS A 111 1.200 -3.992 6.644 1.00 0.00 O ATOM 1188 CB LYS A 111 3.118 -3.396 9.013 1.00 0.00 C ATOM 1189 CG LYS A 111 2.444 -2.956 10.301 1.00 0.00 C ATOM 1190 CD LYS A 111 2.761 -3.901 11.448 1.00 0.00 C ATOM 1191 CE LYS A 111 2.736 -3.181 12.787 1.00 0.00 C ATOM 1192 NZ LYS A 111 1.371 -3.164 13.382 1.00 0.00 N ATOM 0 H LYS A 111 3.638 -4.833 6.654 1.00 0.00 H new ATOM 0 HA LYS A 111 2.433 -5.416 9.290 1.00 0.00 H new ATOM 0 HB2 LYS A 111 4.190 -3.489 9.187 1.00 0.00 H new ATOM 0 HB3 LYS A 111 2.983 -2.620 8.259 1.00 0.00 H new ATOM 0 HG2 LYS A 111 2.771 -1.948 10.558 1.00 0.00 H new ATOM 0 HG3 LYS A 111 1.365 -2.913 10.152 1.00 0.00 H new ATOM 0 HD2 LYS A 111 2.038 -4.717 11.459 1.00 0.00 H new ATOM 0 HD3 LYS A 111 3.743 -4.347 11.292 1.00 0.00 H new ATOM 0 HE2 LYS A 111 3.426 -3.670 13.475 1.00 0.00 H new ATOM 0 HE3 LYS A 111 3.088 -2.158 12.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 1.396 -2.664 14.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 0.717 -2.676 12.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 1.045 -4.140 13.531 1.00 0.00 H new ATOM 1206 N ILE A 112 0.164 -4.865 8.442 1.00 0.00 N ATOM 1207 CA ILE A 112 -1.174 -4.699 7.888 1.00 0.00 C ATOM 1208 C ILE A 112 -2.167 -4.281 8.967 1.00 0.00 C ATOM 1209 O ILE A 112 -2.187 -4.848 10.059 1.00 0.00 O ATOM 1210 CB ILE A 112 -1.672 -5.995 7.221 1.00 0.00 C ATOM 1211 CG1 ILE A 112 -2.847 -5.695 6.288 1.00 0.00 C ATOM 1212 CG2 ILE A 112 -2.075 -7.013 8.277 1.00 0.00 C ATOM 1213 CD1 ILE A 112 -3.111 -6.790 5.278 1.00 0.00 C ATOM 0 H ILE A 112 0.187 -5.282 9.372 1.00 0.00 H new ATOM 0 HA ILE A 112 -1.109 -3.915 7.134 1.00 0.00 H new ATOM 0 HB ILE A 112 -0.860 -6.416 6.629 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -3.745 -5.539 6.886 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -2.651 -4.763 5.758 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -2.425 -7.923 7.790 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -1.215 -7.245 8.906 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -2.874 -6.601 8.893 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -3.957 -6.510 4.650 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -2.228 -6.931 4.655 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -3.339 -7.719 5.800 1.00 0.00 H new ATOM 1225 N ASN A 113 -2.991 -3.287 8.652 1.00 0.00 N ATOM 1226 CA ASN A 113 -3.989 -2.794 9.594 1.00 0.00 C ATOM 1227 C ASN A 113 -5.371 -2.751 8.950 1.00 0.00 C ATOM 1228 O ASN A 113 -5.525 -2.302 7.813 1.00 0.00 O ATOM 1229 CB ASN A 113 -3.604 -1.400 10.094 1.00 0.00 C ATOM 1230 CG ASN A 113 -2.173 -1.340 10.593 1.00 0.00 C ATOM 1231 OD1 ASN A 113 -1.266 -0.936 9.864 1.00 0.00 O ATOM 1232 ND2 ASN A 113 -1.964 -1.744 11.840 1.00 0.00 N ATOM 0 H ASN A 113 -2.987 -2.807 7.752 1.00 0.00 H new ATOM 0 HA ASN A 113 -4.023 -3.480 10.440 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -3.735 -0.679 9.288 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -4.279 -1.106 10.898 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -1.022 -1.727 12.230 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -2.746 -2.071 12.408 1.00 0.00 H new ATOM 1239 N HIS A 114 -6.375 -3.221 9.683 1.00 0.00 N ATOM 1240 CA HIS A 114 -7.746 -3.236 9.184 1.00 0.00 C ATOM 1241 C HIS A 114 -8.582 -2.154 9.862 1.00 0.00 C ATOM 1242 O HIS A 114 -8.723 -2.139 11.085 1.00 0.00 O ATOM 1243 CB HIS A 114 -8.381 -4.607 9.415 1.00 0.00 C ATOM 1244 CG HIS A 114 -7.472 -5.751 9.086 1.00 0.00 C ATOM 1245 ND1 HIS A 114 -7.527 -6.436 7.890 1.00 0.00 N ATOM 1246 CD2 HIS A 114 -6.480 -6.329 9.803 1.00 0.00 C ATOM 1247 CE1 HIS A 114 -6.610 -7.387 7.887 1.00 0.00 C ATOM 1248 NE2 HIS A 114 -5.960 -7.342 9.036 1.00 0.00 N ATOM 0 H HIS A 114 -6.265 -3.597 10.625 1.00 0.00 H new ATOM 0 HA HIS A 114 -7.719 -3.033 8.113 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -8.687 -4.685 10.458 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -9.285 -4.686 8.811 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -6.158 -6.046 10.794 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -6.424 -8.083 7.082 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -5.196 -7.960 9.309 1.00 0.00 H new ATOM 1256 N PHE A 115 -9.134 -1.251 9.059 1.00 0.00 N ATOM 1257 CA PHE A 115 -9.955 -0.164 9.581 1.00 0.00 C ATOM 1258 C PHE A 115 -11.394 -0.285 9.090 1.00 0.00 C ATOM 1259 O PHE A 115 -11.641 -0.530 7.908 1.00 0.00 O ATOM 1260 CB PHE A 115 -9.374 1.188 9.164 1.00 0.00 C ATOM 1261 CG PHE A 115 -8.000 1.446 9.712 1.00 0.00 C ATOM 1262 CD1 PHE A 115 -7.834 1.949 10.993 1.00 0.00 C ATOM 1263 CD2 PHE A 115 -6.874 1.183 8.949 1.00 0.00 C ATOM 1264 CE1 PHE A 115 -6.570 2.187 11.500 1.00 0.00 C ATOM 1265 CE2 PHE A 115 -5.608 1.419 9.451 1.00 0.00 C ATOM 1266 CZ PHE A 115 -5.456 1.921 10.728 1.00 0.00 C ATOM 0 H PHE A 115 -9.028 -1.250 8.045 1.00 0.00 H new ATOM 0 HA PHE A 115 -9.954 -0.232 10.669 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -9.338 1.238 8.076 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -10.044 1.981 9.498 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -8.702 2.157 11.602 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -6.987 0.789 7.950 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -6.454 2.581 12.499 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -4.739 1.211 8.845 1.00 0.00 H new ATOM 0 HZ PHE A 115 -4.468 2.105 11.123 1.00 0.00 H new ATOM 1276 N THR A 116 -12.343 -0.113 10.005 1.00 0.00 N ATOM 1277 CA THR A 116 -13.757 -0.205 9.667 1.00 0.00 C ATOM 1278 C THR A 116 -14.260 1.095 9.049 1.00 0.00 C ATOM 1279 O THR A 116 -15.075 1.079 8.126 1.00 0.00 O ATOM 1280 CB THR A 116 -14.611 -0.534 10.906 1.00 0.00 C ATOM 1281 OG1 THR A 116 -14.383 0.440 11.931 1.00 0.00 O ATOM 1282 CG2 THR A 116 -14.282 -1.922 11.436 1.00 0.00 C ATOM 0 H THR A 116 -12.157 0.091 10.987 1.00 0.00 H new ATOM 0 HA THR A 116 -13.856 -1.012 8.941 1.00 0.00 H new ATOM 0 HB THR A 116 -15.661 -0.513 10.613 1.00 0.00 H new ATOM 0 HG1 THR A 116 -14.931 0.225 12.715 1.00 0.00 H new ATOM 0 HG21 THR A 116 -14.897 -2.133 12.311 1.00 0.00 H new ATOM 0 HG22 THR A 116 -14.484 -2.664 10.663 1.00 0.00 H new ATOM 0 HG23 THR A 116 -13.229 -1.965 11.714 1.00 0.00 H new ATOM 1290 N ARG A 117 -13.770 2.218 9.563 1.00 0.00 N ATOM 1291 CA ARG A 117 -14.170 3.527 9.060 1.00 0.00 C ATOM 1292 C ARG A 117 -13.223 4.001 7.962 1.00 0.00 C ATOM 1293 O ARG A 117 -12.047 4.267 8.214 1.00 0.00 O ATOM 1294 CB ARG A 117 -14.198 4.547 10.200 1.00 0.00 C ATOM 1295 CG ARG A 117 -15.543 4.638 10.903 1.00 0.00 C ATOM 1296 CD ARG A 117 -15.509 5.646 12.041 1.00 0.00 C ATOM 1297 NE ARG A 117 -16.500 5.343 13.070 1.00 0.00 N ATOM 1298 CZ ARG A 117 -17.774 5.713 12.996 1.00 0.00 C ATOM 1299 NH1 ARG A 117 -18.209 6.396 11.946 1.00 0.00 N ATOM 1300 NH2 ARG A 117 -18.615 5.399 13.973 1.00 0.00 N ATOM 0 H ARG A 117 -13.095 2.248 10.327 1.00 0.00 H new ATOM 0 HA ARG A 117 -15.171 3.436 8.637 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -13.433 4.284 10.930 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -13.937 5.529 9.804 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -16.312 4.924 10.185 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -15.819 3.658 11.292 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -14.515 5.656 12.487 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -15.691 6.645 11.646 1.00 0.00 H new ATOM 0 HE ARG A 117 -16.197 4.818 13.891 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -17.565 6.638 11.193 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -19.187 6.679 11.891 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -18.284 4.873 14.782 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -19.593 5.683 13.915 1.00 0.00 H new ATOM 1314 N LEU A 118 -13.742 4.104 6.744 1.00 0.00 N ATOM 1315 CA LEU A 118 -12.943 4.545 5.606 1.00 0.00 C ATOM 1316 C LEU A 118 -12.072 5.739 5.983 1.00 0.00 C ATOM 1317 O LEU A 118 -10.858 5.721 5.784 1.00 0.00 O ATOM 1318 CB LEU A 118 -13.852 4.912 4.431 1.00 0.00 C ATOM 1319 CG LEU A 118 -13.208 5.739 3.317 1.00 0.00 C ATOM 1320 CD1 LEU A 118 -12.036 4.988 2.705 1.00 0.00 C ATOM 1321 CD2 LEU A 118 -14.235 6.088 2.251 1.00 0.00 C ATOM 0 H LEU A 118 -14.713 3.888 6.519 1.00 0.00 H new ATOM 0 HA LEU A 118 -12.292 3.723 5.310 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -14.239 3.991 3.995 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -14.708 5.465 4.818 1.00 0.00 H new ATOM 0 HG LEU A 118 -12.833 6.667 3.749 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -11.590 5.591 1.914 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -11.290 4.789 3.474 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -12.387 4.044 2.287 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -13.759 6.676 1.466 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -14.640 5.171 1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -15.043 6.667 2.699 1.00 0.00 H new ATOM 1333 N GLU A 119 -12.702 6.775 6.530 1.00 0.00 N ATOM 1334 CA GLU A 119 -11.983 7.977 6.936 1.00 0.00 C ATOM 1335 C GLU A 119 -10.761 7.622 7.779 1.00 0.00 C ATOM 1336 O GLU A 119 -9.638 8.009 7.457 1.00 0.00 O ATOM 1337 CB GLU A 119 -12.906 8.909 7.723 1.00 0.00 C ATOM 1338 CG GLU A 119 -14.016 9.518 6.883 1.00 0.00 C ATOM 1339 CD GLU A 119 -15.193 8.580 6.701 1.00 0.00 C ATOM 1340 OE1 GLU A 119 -15.848 8.249 7.712 1.00 0.00 O ATOM 1341 OE2 GLU A 119 -15.459 8.177 5.550 1.00 0.00 O ATOM 0 H GLU A 119 -13.707 6.806 6.702 1.00 0.00 H new ATOM 0 HA GLU A 119 -11.645 8.489 6.035 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -13.350 8.354 8.549 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -12.311 9.711 8.161 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -14.360 10.439 7.355 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -13.619 9.790 5.905 1.00 0.00 H new ATOM 1348 N ASP A 120 -10.990 6.884 8.859 1.00 0.00 N ATOM 1349 CA ASP A 120 -9.910 6.476 9.749 1.00 0.00 C ATOM 1350 C ASP A 120 -8.688 6.030 8.952 1.00 0.00 C ATOM 1351 O ASP A 120 -7.566 6.453 9.229 1.00 0.00 O ATOM 1352 CB ASP A 120 -10.376 5.344 10.666 1.00 0.00 C ATOM 1353 CG ASP A 120 -11.295 5.833 11.769 1.00 0.00 C ATOM 1354 OD1 ASP A 120 -12.371 6.378 11.446 1.00 0.00 O ATOM 1355 OD2 ASP A 120 -10.938 5.670 12.954 1.00 0.00 O ATOM 0 H ASP A 120 -11.914 6.556 9.139 1.00 0.00 H new ATOM 0 HA ASP A 120 -9.631 7.336 10.358 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -10.894 4.590 10.073 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -9.507 4.859 11.110 1.00 0.00 H new ATOM 1360 N ALA A 121 -8.914 5.174 7.961 1.00 0.00 N ATOM 1361 CA ALA A 121 -7.832 4.672 7.123 1.00 0.00 C ATOM 1362 C ALA A 121 -7.138 5.810 6.383 1.00 0.00 C ATOM 1363 O ALA A 121 -5.910 5.905 6.379 1.00 0.00 O ATOM 1364 CB ALA A 121 -8.363 3.644 6.135 1.00 0.00 C ATOM 0 H ALA A 121 -9.837 4.814 7.719 1.00 0.00 H new ATOM 0 HA ALA A 121 -7.097 4.192 7.770 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -7.544 3.278 5.516 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -8.807 2.811 6.680 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -9.119 4.106 5.500 1.00 0.00 H new ATOM 1370 N LYS A 122 -7.931 6.673 5.756 1.00 0.00 N ATOM 1371 CA LYS A 122 -7.393 7.806 5.012 1.00 0.00 C ATOM 1372 C LYS A 122 -6.495 8.662 5.899 1.00 0.00 C ATOM 1373 O LYS A 122 -5.384 9.023 5.511 1.00 0.00 O ATOM 1374 CB LYS A 122 -8.532 8.658 4.447 1.00 0.00 C ATOM 1375 CG LYS A 122 -9.562 7.857 3.669 1.00 0.00 C ATOM 1376 CD LYS A 122 -10.713 8.733 3.203 1.00 0.00 C ATOM 1377 CE LYS A 122 -10.446 9.319 1.826 1.00 0.00 C ATOM 1378 NZ LYS A 122 -11.172 10.603 1.619 1.00 0.00 N ATOM 0 H LYS A 122 -8.949 6.609 5.748 1.00 0.00 H new ATOM 0 HA LYS A 122 -6.795 7.417 4.188 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -9.030 9.174 5.268 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -8.113 9.425 3.796 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -9.086 7.391 2.806 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -9.947 7.052 4.295 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -11.631 8.146 3.178 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -10.870 9.540 3.919 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -9.376 9.483 1.703 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -10.749 8.603 1.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -10.964 10.970 0.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -12.195 10.442 1.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -10.864 11.295 2.332 1.00 0.00 H new ATOM 1392 N LYS A 123 -6.983 8.983 7.093 1.00 0.00 N ATOM 1393 CA LYS A 123 -6.224 9.795 8.037 1.00 0.00 C ATOM 1394 C LYS A 123 -4.860 9.172 8.316 1.00 0.00 C ATOM 1395 O LYS A 123 -3.844 9.867 8.345 1.00 0.00 O ATOM 1396 CB LYS A 123 -7.002 9.953 9.345 1.00 0.00 C ATOM 1397 CG LYS A 123 -8.349 10.633 9.174 1.00 0.00 C ATOM 1398 CD LYS A 123 -9.267 10.359 10.354 1.00 0.00 C ATOM 1399 CE LYS A 123 -8.837 11.139 11.587 1.00 0.00 C ATOM 1400 NZ LYS A 123 -9.474 12.484 11.643 1.00 0.00 N ATOM 0 H LYS A 123 -7.901 8.693 7.430 1.00 0.00 H new ATOM 0 HA LYS A 123 -6.070 10.778 7.592 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -7.155 8.969 9.788 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -6.401 10.529 10.048 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -8.204 11.708 9.067 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -8.821 10.282 8.256 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -10.290 10.628 10.091 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -9.265 9.292 10.578 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -9.099 10.576 12.483 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -7.753 11.250 11.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -9.155 12.984 12.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -9.204 13.031 10.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -10.508 12.377 11.670 1.00 0.00 H new ATOM 1414 N ASP A 124 -4.845 7.859 8.519 1.00 0.00 N ATOM 1415 CA ASP A 124 -3.605 7.143 8.793 1.00 0.00 C ATOM 1416 C ASP A 124 -2.687 7.159 7.575 1.00 0.00 C ATOM 1417 O ASP A 124 -1.466 7.249 7.706 1.00 0.00 O ATOM 1418 CB ASP A 124 -3.904 5.700 9.202 1.00 0.00 C ATOM 1419 CG ASP A 124 -2.783 5.083 10.015 1.00 0.00 C ATOM 1420 OD1 ASP A 124 -2.517 5.578 11.131 1.00 0.00 O ATOM 1421 OD2 ASP A 124 -2.171 4.106 9.536 1.00 0.00 O ATOM 0 H ASP A 124 -5.677 7.269 8.499 1.00 0.00 H new ATOM 0 HA ASP A 124 -3.097 7.648 9.615 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -4.826 5.674 9.782 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -4.073 5.100 8.308 1.00 0.00 H new ATOM 1426 N PHE A 125 -3.282 7.070 6.390 1.00 0.00 N ATOM 1427 CA PHE A 125 -2.518 7.073 5.148 1.00 0.00 C ATOM 1428 C PHE A 125 -1.859 8.430 4.918 1.00 0.00 C ATOM 1429 O PHE A 125 -0.678 8.508 4.583 1.00 0.00 O ATOM 1430 CB PHE A 125 -3.426 6.727 3.966 1.00 0.00 C ATOM 1431 CG PHE A 125 -2.718 6.749 2.641 1.00 0.00 C ATOM 1432 CD1 PHE A 125 -2.294 7.946 2.087 1.00 0.00 C ATOM 1433 CD2 PHE A 125 -2.477 5.573 1.950 1.00 0.00 C ATOM 1434 CE1 PHE A 125 -1.644 7.969 0.868 1.00 0.00 C ATOM 1435 CE2 PHE A 125 -1.827 5.590 0.730 1.00 0.00 C ATOM 1436 CZ PHE A 125 -1.409 6.790 0.189 1.00 0.00 C ATOM 0 H PHE A 125 -4.291 6.995 6.264 1.00 0.00 H new ATOM 0 HA PHE A 125 -1.736 6.318 5.230 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -3.854 5.737 4.124 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -4.257 7.432 3.937 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -2.474 8.871 2.614 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -2.801 4.632 2.369 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -1.320 8.909 0.446 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -1.646 4.666 0.201 1.00 0.00 H new ATOM 0 HZ PHE A 125 -0.899 6.806 -0.763 1.00 0.00 H new ATOM 1446 N GLU A 126 -2.632 9.496 5.101 1.00 0.00 N ATOM 1447 CA GLU A 126 -2.124 10.849 4.912 1.00 0.00 C ATOM 1448 C GLU A 126 -1.210 11.253 6.065 1.00 0.00 C ATOM 1449 O GLU A 126 -0.193 11.917 5.864 1.00 0.00 O ATOM 1450 CB GLU A 126 -3.282 11.841 4.793 1.00 0.00 C ATOM 1451 CG GLU A 126 -3.988 11.795 3.448 1.00 0.00 C ATOM 1452 CD GLU A 126 -5.283 12.584 3.441 1.00 0.00 C ATOM 1453 OE1 GLU A 126 -6.073 12.434 4.397 1.00 0.00 O ATOM 1454 OE2 GLU A 126 -5.506 13.351 2.482 1.00 0.00 O ATOM 0 H GLU A 126 -3.612 9.448 5.380 1.00 0.00 H new ATOM 0 HA GLU A 126 -1.545 10.866 3.989 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -4.007 11.637 5.581 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -2.904 12.849 4.961 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -3.323 12.189 2.679 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -4.198 10.758 3.187 1.00 0.00 H new ATOM 1461 N LYS A 127 -1.580 10.848 7.275 1.00 0.00 N ATOM 1462 CA LYS A 127 -0.796 11.166 8.463 1.00 0.00 C ATOM 1463 C LYS A 127 0.620 10.611 8.343 1.00 0.00 C ATOM 1464 O LYS A 127 1.599 11.353 8.436 1.00 0.00 O ATOM 1465 CB LYS A 127 -1.473 10.599 9.713 1.00 0.00 C ATOM 1466 CG LYS A 127 -0.785 10.995 11.008 1.00 0.00 C ATOM 1467 CD LYS A 127 0.279 9.986 11.405 1.00 0.00 C ATOM 1468 CE LYS A 127 -0.315 8.829 12.194 1.00 0.00 C ATOM 1469 NZ LYS A 127 0.740 7.947 12.765 1.00 0.00 N ATOM 0 H LYS A 127 -2.419 10.298 7.459 1.00 0.00 H new ATOM 0 HA LYS A 127 -0.737 12.251 8.550 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -2.508 10.940 9.742 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -1.497 9.512 9.642 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -0.330 11.979 10.893 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -1.525 11.077 11.804 1.00 0.00 H new ATOM 0 HD2 LYS A 127 0.770 9.603 10.511 1.00 0.00 H new ATOM 0 HD3 LYS A 127 1.045 10.480 12.003 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -0.936 9.220 13.000 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -0.966 8.243 11.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 0.294 7.171 13.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 1.318 7.553 11.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 1.346 8.500 13.404 1.00 0.00 H new ATOM 1483 N LYS A 128 0.723 9.303 8.136 1.00 0.00 N ATOM 1484 CA LYS A 128 2.019 8.649 8.000 1.00 0.00 C ATOM 1485 C LYS A 128 2.835 9.284 6.879 1.00 0.00 C ATOM 1486 O LYS A 128 4.000 9.635 7.067 1.00 0.00 O ATOM 1487 CB LYS A 128 1.833 7.155 7.727 1.00 0.00 C ATOM 1488 CG LYS A 128 3.141 6.388 7.622 1.00 0.00 C ATOM 1489 CD LYS A 128 3.870 6.345 8.955 1.00 0.00 C ATOM 1490 CE LYS A 128 3.134 5.478 9.964 1.00 0.00 C ATOM 1491 NZ LYS A 128 4.064 4.876 10.960 1.00 0.00 N ATOM 0 H LYS A 128 -0.076 8.674 8.059 1.00 0.00 H new ATOM 0 HA LYS A 128 2.562 8.776 8.937 1.00 0.00 H new ATOM 0 HB2 LYS A 128 1.230 6.721 8.524 1.00 0.00 H new ATOM 0 HB3 LYS A 128 1.273 7.031 6.800 1.00 0.00 H new ATOM 0 HG2 LYS A 128 2.942 5.372 7.282 1.00 0.00 H new ATOM 0 HG3 LYS A 128 3.779 6.856 6.872 1.00 0.00 H new ATOM 0 HD2 LYS A 128 4.878 5.958 8.807 1.00 0.00 H new ATOM 0 HD3 LYS A 128 3.972 7.356 9.348 1.00 0.00 H new ATOM 0 HE2 LYS A 128 2.386 6.078 10.482 1.00 0.00 H new ATOM 0 HE3 LYS A 128 2.600 4.685 9.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 3.524 4.292 11.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 4.762 4.283 10.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 4.556 5.632 11.478 1.00 0.00 H new ATOM 1505 N PHE A 129 2.216 9.430 5.712 1.00 0.00 N ATOM 1506 CA PHE A 129 2.884 10.024 4.560 1.00 0.00 C ATOM 1507 C PHE A 129 3.410 11.417 4.895 1.00 0.00 C ATOM 1508 O PHE A 129 4.601 11.693 4.754 1.00 0.00 O ATOM 1509 CB PHE A 129 1.925 10.100 3.371 1.00 0.00 C ATOM 1510 CG PHE A 129 2.382 11.041 2.293 1.00 0.00 C ATOM 1511 CD1 PHE A 129 3.193 10.594 1.262 1.00 0.00 C ATOM 1512 CD2 PHE A 129 1.999 12.373 2.309 1.00 0.00 C ATOM 1513 CE1 PHE A 129 3.615 11.458 0.270 1.00 0.00 C ATOM 1514 CE2 PHE A 129 2.417 13.242 1.319 1.00 0.00 C ATOM 1515 CZ PHE A 129 3.226 12.783 0.297 1.00 0.00 C ATOM 0 H PHE A 129 1.252 9.145 5.539 1.00 0.00 H new ATOM 0 HA PHE A 129 3.730 9.390 4.295 1.00 0.00 H new ATOM 0 HB2 PHE A 129 1.806 9.103 2.946 1.00 0.00 H new ATOM 0 HB3 PHE A 129 0.943 10.415 3.725 1.00 0.00 H new ATOM 0 HD1 PHE A 129 3.499 9.559 1.234 1.00 0.00 H new ATOM 0 HD2 PHE A 129 1.366 12.736 3.105 1.00 0.00 H new ATOM 0 HE1 PHE A 129 4.249 11.097 -0.527 1.00 0.00 H new ATOM 0 HE2 PHE A 129 2.112 14.278 1.344 1.00 0.00 H new ATOM 0 HZ PHE A 129 3.553 13.459 -0.479 1.00 0.00 H new ATOM 1525 N ARG A 130 2.512 12.291 5.338 1.00 0.00 N ATOM 1526 CA ARG A 130 2.884 13.655 5.691 1.00 0.00 C ATOM 1527 C ARG A 130 3.904 13.665 6.825 1.00 0.00 C ATOM 1528 O ARG A 130 4.745 14.559 6.909 1.00 0.00 O ATOM 1529 CB ARG A 130 1.645 14.455 6.099 1.00 0.00 C ATOM 1530 CG ARG A 130 1.967 15.808 6.711 1.00 0.00 C ATOM 1531 CD ARG A 130 0.783 16.757 6.620 1.00 0.00 C ATOM 1532 NE ARG A 130 0.808 17.767 7.675 1.00 0.00 N ATOM 1533 CZ ARG A 130 1.495 18.901 7.591 1.00 0.00 C ATOM 1534 NH1 ARG A 130 2.208 19.169 6.505 1.00 0.00 N ATOM 1535 NH2 ARG A 130 1.468 19.770 8.593 1.00 0.00 N ATOM 0 H ARG A 130 1.522 12.078 5.461 1.00 0.00 H new ATOM 0 HA ARG A 130 3.336 14.119 4.815 1.00 0.00 H new ATOM 0 HB2 ARG A 130 1.014 14.603 5.223 1.00 0.00 H new ATOM 0 HB3 ARG A 130 1.065 13.871 6.814 1.00 0.00 H new ATOM 0 HG2 ARG A 130 2.251 15.678 7.755 1.00 0.00 H new ATOM 0 HG3 ARG A 130 2.825 16.245 6.200 1.00 0.00 H new ATOM 0 HD2 ARG A 130 0.787 17.249 5.647 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -0.144 16.187 6.686 1.00 0.00 H new ATOM 0 HE ARG A 130 0.268 17.592 8.523 1.00 0.00 H new ATOM 0 HH11 ARG A 130 2.230 18.504 5.732 1.00 0.00 H new ATOM 0 HH12 ARG A 130 2.735 20.040 6.443 1.00 0.00 H new ATOM 0 HH21 ARG A 130 0.919 19.568 9.429 1.00 0.00 H new ATOM 0 HH22 ARG A 130 1.996 20.640 8.528 1.00 0.00 H new ATOM 1549 N GLU A 131 3.823 12.664 7.696 1.00 0.00 N ATOM 1550 CA GLU A 131 4.739 12.558 8.826 1.00 0.00 C ATOM 1551 C GLU A 131 6.135 12.157 8.359 1.00 0.00 C ATOM 1552 O GLU A 131 7.131 12.439 9.026 1.00 0.00 O ATOM 1553 CB GLU A 131 4.216 11.540 9.842 1.00 0.00 C ATOM 1554 CG GLU A 131 3.311 12.146 10.900 1.00 0.00 C ATOM 1555 CD GLU A 131 4.086 12.751 12.055 1.00 0.00 C ATOM 1556 OE1 GLU A 131 4.758 13.782 11.844 1.00 0.00 O ATOM 1557 OE2 GLU A 131 4.020 12.192 13.170 1.00 0.00 O ATOM 0 H GLU A 131 3.133 11.915 7.641 1.00 0.00 H new ATOM 0 HA GLU A 131 4.802 13.536 9.303 1.00 0.00 H new ATOM 0 HB2 GLU A 131 3.670 10.759 9.313 1.00 0.00 H new ATOM 0 HB3 GLU A 131 5.063 11.060 10.332 1.00 0.00 H new ATOM 0 HG2 GLU A 131 2.688 12.915 10.443 1.00 0.00 H new ATOM 0 HG3 GLU A 131 2.639 11.377 11.282 1.00 0.00 H new ATOM 1564 N LYS A 132 6.200 11.496 7.208 1.00 0.00 N ATOM 1565 CA LYS A 132 7.472 11.055 6.649 1.00 0.00 C ATOM 1566 C LYS A 132 7.977 12.041 5.601 1.00 0.00 C ATOM 1567 O LYS A 132 9.181 12.153 5.366 1.00 0.00 O ATOM 1568 CB LYS A 132 7.325 9.664 6.028 1.00 0.00 C ATOM 1569 CG LYS A 132 6.881 8.600 7.017 1.00 0.00 C ATOM 1570 CD LYS A 132 7.992 8.245 7.991 1.00 0.00 C ATOM 1571 CE LYS A 132 7.694 6.948 8.727 1.00 0.00 C ATOM 1572 NZ LYS A 132 8.170 5.758 7.969 1.00 0.00 N ATOM 0 H LYS A 132 5.385 11.254 6.644 1.00 0.00 H new ATOM 0 HA LYS A 132 8.200 11.009 7.459 1.00 0.00 H new ATOM 0 HB2 LYS A 132 6.603 9.714 5.213 1.00 0.00 H new ATOM 0 HB3 LYS A 132 8.279 9.367 5.592 1.00 0.00 H new ATOM 0 HG2 LYS A 132 6.012 8.956 7.570 1.00 0.00 H new ATOM 0 HG3 LYS A 132 6.571 7.706 6.476 1.00 0.00 H new ATOM 0 HD2 LYS A 132 8.934 8.150 7.451 1.00 0.00 H new ATOM 0 HD3 LYS A 132 8.118 9.053 8.712 1.00 0.00 H new ATOM 0 HE2 LYS A 132 8.171 6.969 9.707 1.00 0.00 H new ATOM 0 HE3 LYS A 132 6.620 6.865 8.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 7.361 5.292 7.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 8.853 6.058 7.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 8.629 5.091 8.622 1.00 0.00 H new ATOM 1586 N THR A 133 7.049 12.756 4.972 1.00 0.00 N ATOM 1587 CA THR A 133 7.400 13.733 3.949 1.00 0.00 C ATOM 1588 C THR A 133 7.102 15.152 4.418 1.00 0.00 C ATOM 1589 O THR A 133 7.149 16.099 3.634 1.00 0.00 O ATOM 1590 CB THR A 133 6.639 13.468 2.635 1.00 0.00 C ATOM 1591 OG1 THR A 133 5.232 13.629 2.844 1.00 0.00 O ATOM 1592 CG2 THR A 133 6.924 12.067 2.118 1.00 0.00 C ATOM 0 H THR A 133 6.048 12.676 5.153 1.00 0.00 H new ATOM 0 HA THR A 133 8.470 13.631 3.768 1.00 0.00 H new ATOM 0 HB THR A 133 6.980 14.188 1.891 1.00 0.00 H new ATOM 0 HG1 THR A 133 4.926 12.989 3.520 1.00 0.00 H new ATOM 0 HG21 THR A 133 6.376 11.903 1.190 1.00 0.00 H new ATOM 0 HG22 THR A 133 7.993 11.958 1.933 1.00 0.00 H new ATOM 0 HG23 THR A 133 6.608 11.334 2.860 1.00 0.00 H new ATOM 1600 N LYS A 134 6.797 15.293 5.704 1.00 0.00 N ATOM 1601 CA LYS A 134 6.493 16.597 6.280 1.00 0.00 C ATOM 1602 C LYS A 134 5.752 17.476 5.277 1.00 0.00 C ATOM 1603 O LYS A 134 5.999 18.678 5.190 1.00 0.00 O ATOM 1604 CB LYS A 134 7.781 17.292 6.729 1.00 0.00 C ATOM 1605 CG LYS A 134 8.366 16.720 8.008 1.00 0.00 C ATOM 1606 CD LYS A 134 9.755 17.272 8.282 1.00 0.00 C ATOM 1607 CE LYS A 134 9.692 18.587 9.044 1.00 0.00 C ATOM 1608 NZ LYS A 134 10.903 18.801 9.883 1.00 0.00 N ATOM 0 H LYS A 134 6.754 14.519 6.367 1.00 0.00 H new ATOM 0 HA LYS A 134 5.849 16.442 7.146 1.00 0.00 H new ATOM 0 HB2 LYS A 134 8.522 17.214 5.934 1.00 0.00 H new ATOM 0 HB3 LYS A 134 7.580 18.353 6.874 1.00 0.00 H new ATOM 0 HG2 LYS A 134 7.709 16.953 8.846 1.00 0.00 H new ATOM 0 HG3 LYS A 134 8.414 15.634 7.933 1.00 0.00 H new ATOM 0 HD2 LYS A 134 10.330 16.545 8.856 1.00 0.00 H new ATOM 0 HD3 LYS A 134 10.281 17.422 7.339 1.00 0.00 H new ATOM 0 HE2 LYS A 134 9.589 19.411 8.338 1.00 0.00 H new ATOM 0 HE3 LYS A 134 8.805 18.597 9.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 10.821 19.708 10.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 10.988 18.028 10.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 11.747 18.817 9.276 1.00 0.00 H new ATOM 1622 N ASN A 135 4.842 16.868 4.523 1.00 0.00 N ATOM 1623 CA ASN A 135 4.064 17.595 3.527 1.00 0.00 C ATOM 1624 C ASN A 135 2.638 17.059 3.453 1.00 0.00 C ATOM 1625 O ASN A 135 2.337 15.991 3.984 1.00 0.00 O ATOM 1626 CB ASN A 135 4.732 17.493 2.154 1.00 0.00 C ATOM 1627 CG ASN A 135 5.728 18.610 1.912 1.00 0.00 C ATOM 1628 OD1 ASN A 135 5.502 19.489 1.080 1.00 0.00 O ATOM 1629 ND2 ASN A 135 6.839 18.581 2.639 1.00 0.00 N ATOM 0 H ASN A 135 4.625 15.873 4.583 1.00 0.00 H new ATOM 0 HA ASN A 135 4.024 18.642 3.827 1.00 0.00 H new ATOM 0 HB2 ASN A 135 5.240 16.532 2.071 1.00 0.00 H new ATOM 0 HB3 ASN A 135 3.967 17.517 1.378 1.00 0.00 H new ATOM 0 HD21 ASN A 135 7.546 19.306 2.519 1.00 0.00 H new ATOM 0 HD22 ASN A 135 6.985 17.833 3.317 1.00 0.00 H new ATOM 1636 N ASN A 136 1.764 17.809 2.789 1.00 0.00 N ATOM 1637 CA ASN A 136 0.369 17.409 2.645 1.00 0.00 C ATOM 1638 C ASN A 136 0.152 16.653 1.337 1.00 0.00 C ATOM 1639 O ASN A 136 0.697 17.022 0.297 1.00 0.00 O ATOM 1640 CB ASN A 136 -0.543 18.637 2.693 1.00 0.00 C ATOM 1641 CG ASN A 136 -0.732 19.161 4.104 1.00 0.00 C ATOM 1642 OD1 ASN A 136 -0.119 20.154 4.496 1.00 0.00 O ATOM 1643 ND2 ASN A 136 -1.584 18.494 4.873 1.00 0.00 N ATOM 0 H ASN A 136 1.997 18.696 2.343 1.00 0.00 H new ATOM 0 HA ASN A 136 0.120 16.746 3.474 1.00 0.00 H new ATOM 0 HB2 ASN A 136 -0.121 19.425 2.069 1.00 0.00 H new ATOM 0 HB3 ASN A 136 -1.514 18.382 2.270 1.00 0.00 H new ATOM 0 HD21 ASN A 136 -1.753 18.800 5.831 1.00 0.00 H new ATOM 0 HD22 ASN A 136 -2.070 17.676 4.505 1.00 0.00 H new ATOM 1650 N TRP A 137 -0.647 15.593 1.399 1.00 0.00 N ATOM 1651 CA TRP A 137 -0.936 14.785 0.220 1.00 0.00 C ATOM 1652 C TRP A 137 -1.635 15.615 -0.851 1.00 0.00 C ATOM 1653 O TRP A 137 -1.410 15.420 -2.046 1.00 0.00 O ATOM 1654 CB TRP A 137 -1.804 13.585 0.600 1.00 0.00 C ATOM 1655 CG TRP A 137 -2.155 12.712 -0.568 1.00 0.00 C ATOM 1656 CD1 TRP A 137 -3.381 12.584 -1.156 1.00 0.00 C ATOM 1657 CD2 TRP A 137 -1.271 11.846 -1.286 1.00 0.00 C ATOM 1658 NE1 TRP A 137 -3.312 11.690 -2.197 1.00 0.00 N ATOM 1659 CE2 TRP A 137 -2.028 11.223 -2.298 1.00 0.00 C ATOM 1660 CE3 TRP A 137 0.088 11.536 -1.174 1.00 0.00 C ATOM 1661 CZ2 TRP A 137 -1.471 10.310 -3.189 1.00 0.00 C ATOM 1662 CZ3 TRP A 137 0.639 10.629 -2.060 1.00 0.00 C ATOM 1663 CH2 TRP A 137 -0.139 10.026 -3.057 1.00 0.00 C ATOM 0 H TRP A 137 -1.106 15.274 2.252 1.00 0.00 H new ATOM 0 HA TRP A 137 0.010 14.427 -0.185 1.00 0.00 H new ATOM 0 HB2 TRP A 137 -1.280 12.988 1.346 1.00 0.00 H new ATOM 0 HB3 TRP A 137 -2.722 13.943 1.066 1.00 0.00 H new ATOM 0 HD1 TRP A 137 -4.273 13.108 -0.848 1.00 0.00 H new ATOM 0 HE1 TRP A 137 -4.091 11.418 -2.797 1.00 0.00 H new ATOM 0 HE3 TRP A 137 0.696 11.997 -0.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 137 -2.069 9.842 -3.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 137 1.687 10.381 -1.982 1.00 0.00 H new ATOM 0 HH2 TRP A 137 0.322 9.323 -3.735 1.00 0.00 H new ATOM 1674 N ALA A 138 -2.482 16.542 -0.417 1.00 0.00 N ATOM 1675 CA ALA A 138 -3.211 17.403 -1.339 1.00 0.00 C ATOM 1676 C ALA A 138 -2.269 18.370 -2.049 1.00 0.00 C ATOM 1677 O ALA A 138 -2.502 18.746 -3.197 1.00 0.00 O ATOM 1678 CB ALA A 138 -4.297 18.170 -0.599 1.00 0.00 C ATOM 0 H ALA A 138 -2.680 16.716 0.568 1.00 0.00 H new ATOM 0 HA ALA A 138 -3.678 16.771 -2.094 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -4.833 18.809 -1.300 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -4.994 17.466 -0.144 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -3.843 18.785 0.178 1.00 0.00 H new ATOM 1684 N GLU A 139 -1.206 18.768 -1.357 1.00 0.00 N ATOM 1685 CA GLU A 139 -0.231 19.693 -1.923 1.00 0.00 C ATOM 1686 C GLU A 139 0.829 18.942 -2.725 1.00 0.00 C ATOM 1687 O GLU A 139 1.949 19.423 -2.895 1.00 0.00 O ATOM 1688 CB GLU A 139 0.437 20.507 -0.812 1.00 0.00 C ATOM 1689 CG GLU A 139 -0.526 21.405 -0.054 1.00 0.00 C ATOM 1690 CD GLU A 139 0.173 22.562 0.633 1.00 0.00 C ATOM 1691 OE1 GLU A 139 1.281 22.931 0.191 1.00 0.00 O ATOM 1692 OE2 GLU A 139 -0.387 23.097 1.613 1.00 0.00 O ATOM 0 H GLU A 139 -0.998 18.465 -0.405 1.00 0.00 H new ATOM 0 HA GLU A 139 -0.758 20.371 -2.594 1.00 0.00 H new ATOM 0 HB2 GLU A 139 0.914 19.824 -0.109 1.00 0.00 H new ATOM 0 HB3 GLU A 139 1.227 21.120 -1.247 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -1.273 21.795 -0.745 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -1.059 20.814 0.691 1.00 0.00 H new ATOM 1699 N ARG A 140 0.466 17.761 -3.214 1.00 0.00 N ATOM 1700 CA ARG A 140 1.385 16.943 -3.996 1.00 0.00 C ATOM 1701 C ARG A 140 1.998 17.752 -5.135 1.00 0.00 C ATOM 1702 O ARG A 140 3.091 17.444 -5.610 1.00 0.00 O ATOM 1703 CB ARG A 140 0.659 15.719 -4.559 1.00 0.00 C ATOM 1704 CG ARG A 140 -0.305 16.048 -5.687 1.00 0.00 C ATOM 1705 CD ARG A 140 -1.347 14.956 -5.866 1.00 0.00 C ATOM 1706 NE ARG A 140 -2.535 15.194 -5.051 1.00 0.00 N ATOM 1707 CZ ARG A 140 -3.730 14.683 -5.326 1.00 0.00 C ATOM 1708 NH1 ARG A 140 -3.894 13.909 -6.390 1.00 0.00 N ATOM 1709 NH2 ARG A 140 -4.763 14.945 -4.536 1.00 0.00 N ATOM 0 H ARG A 140 -0.458 17.349 -3.083 1.00 0.00 H new ATOM 0 HA ARG A 140 2.187 16.610 -3.337 1.00 0.00 H new ATOM 0 HB2 ARG A 140 1.398 15.004 -4.921 1.00 0.00 H new ATOM 0 HB3 ARG A 140 0.110 15.231 -3.754 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -0.802 16.995 -5.478 1.00 0.00 H new ATOM 0 HG3 ARG A 140 0.251 16.178 -6.616 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -1.634 14.897 -6.916 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -0.912 13.993 -5.600 1.00 0.00 H new ATOM 0 HE ARG A 140 -2.442 15.785 -4.225 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -3.102 13.705 -6.999 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -4.812 13.518 -6.599 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -4.640 15.539 -3.716 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -5.680 14.552 -4.748 1.00 0.00 H new ATOM 1723 N ASP A 141 1.287 18.787 -5.569 1.00 0.00 N ATOM 1724 CA ASP A 141 1.761 19.641 -6.652 1.00 0.00 C ATOM 1725 C ASP A 141 3.129 20.229 -6.321 1.00 0.00 C ATOM 1726 O ASP A 141 4.059 20.155 -7.124 1.00 0.00 O ATOM 1727 CB ASP A 141 0.760 20.766 -6.918 1.00 0.00 C ATOM 1728 CG ASP A 141 1.171 21.642 -8.085 1.00 0.00 C ATOM 1729 OD1 ASP A 141 1.941 21.164 -8.944 1.00 0.00 O ATOM 1730 OD2 ASP A 141 0.721 22.806 -8.140 1.00 0.00 O ATOM 0 H ASP A 141 0.380 19.055 -5.187 1.00 0.00 H new ATOM 0 HA ASP A 141 1.856 19.029 -7.549 1.00 0.00 H new ATOM 0 HB2 ASP A 141 -0.221 20.336 -7.118 1.00 0.00 H new ATOM 0 HB3 ASP A 141 0.662 21.380 -6.023 1.00 0.00 H new ATOM 1735 N HIS A 142 3.245 20.813 -5.132 1.00 0.00 N ATOM 1736 CA HIS A 142 4.500 21.415 -4.695 1.00 0.00 C ATOM 1737 C HIS A 142 5.119 20.612 -3.555 1.00 0.00 C ATOM 1738 O HIS A 142 5.551 21.175 -2.549 1.00 0.00 O ATOM 1739 CB HIS A 142 4.270 22.859 -4.251 1.00 0.00 C ATOM 1740 CG HIS A 142 2.937 23.083 -3.607 1.00 0.00 C ATOM 1741 ND1 HIS A 142 1.896 23.732 -4.237 1.00 0.00 N ATOM 1742 CD2 HIS A 142 2.476 22.739 -2.382 1.00 0.00 C ATOM 1743 CE1 HIS A 142 0.854 23.778 -3.427 1.00 0.00 C ATOM 1744 NE2 HIS A 142 1.180 23.182 -2.294 1.00 0.00 N ATOM 0 H HIS A 142 2.486 20.882 -4.454 1.00 0.00 H new ATOM 0 HA HIS A 142 5.191 21.408 -5.538 1.00 0.00 H new ATOM 0 HB2 HIS A 142 5.055 23.144 -3.551 1.00 0.00 H new ATOM 0 HB3 HIS A 142 4.361 23.515 -5.117 1.00 0.00 H new ATOM 0 HD1 HIS A 142 1.926 24.117 -5.181 1.00 0.00 H new ATOM 0 HD2 HIS A 142 3.026 22.213 -1.616 1.00 0.00 H new ATOM 0 HE1 HIS A 142 -0.102 24.227 -3.653 1.00 0.00 H new ATOM 1752 N PHE A 143 5.157 19.293 -3.719 1.00 0.00 N ATOM 1753 CA PHE A 143 5.721 18.413 -2.702 1.00 0.00 C ATOM 1754 C PHE A 143 7.161 18.803 -2.383 1.00 0.00 C ATOM 1755 O PHE A 143 8.044 18.714 -3.236 1.00 0.00 O ATOM 1756 CB PHE A 143 5.667 16.957 -3.171 1.00 0.00 C ATOM 1757 CG PHE A 143 6.375 16.004 -2.251 1.00 0.00 C ATOM 1758 CD1 PHE A 143 7.749 15.842 -2.324 1.00 0.00 C ATOM 1759 CD2 PHE A 143 5.666 15.271 -1.314 1.00 0.00 C ATOM 1760 CE1 PHE A 143 8.404 14.966 -1.479 1.00 0.00 C ATOM 1761 CE2 PHE A 143 6.316 14.394 -0.465 1.00 0.00 C ATOM 1762 CZ PHE A 143 7.686 14.240 -0.549 1.00 0.00 C ATOM 0 H PHE A 143 4.804 18.811 -4.546 1.00 0.00 H new ATOM 0 HA PHE A 143 5.125 18.518 -1.795 1.00 0.00 H new ATOM 0 HB2 PHE A 143 4.625 16.652 -3.265 1.00 0.00 H new ATOM 0 HB3 PHE A 143 6.110 16.887 -4.164 1.00 0.00 H new ATOM 0 HD1 PHE A 143 8.315 16.407 -3.050 1.00 0.00 H new ATOM 0 HD2 PHE A 143 4.594 15.385 -1.246 1.00 0.00 H new ATOM 0 HE1 PHE A 143 9.476 14.849 -1.546 1.00 0.00 H new ATOM 0 HE2 PHE A 143 5.753 13.830 0.263 1.00 0.00 H new ATOM 0 HZ PHE A 143 8.195 13.553 0.111 1.00 0.00 H new ATOM 1772 N VAL A 144 7.391 19.237 -1.148 1.00 0.00 N ATOM 1773 CA VAL A 144 8.723 19.641 -0.714 1.00 0.00 C ATOM 1774 C VAL A 144 9.471 18.475 -0.078 1.00 0.00 C ATOM 1775 O VAL A 144 8.879 17.651 0.620 1.00 0.00 O ATOM 1776 CB VAL A 144 8.657 20.805 0.292 1.00 0.00 C ATOM 1777 CG1 VAL A 144 10.045 21.138 0.816 1.00 0.00 C ATOM 1778 CG2 VAL A 144 8.012 22.026 -0.347 1.00 0.00 C ATOM 0 H VAL A 144 6.671 19.318 -0.430 1.00 0.00 H new ATOM 0 HA VAL A 144 9.259 19.970 -1.604 1.00 0.00 H new ATOM 0 HB VAL A 144 8.041 20.497 1.137 1.00 0.00 H new ATOM 0 HG11 VAL A 144 9.978 21.963 1.525 1.00 0.00 H new ATOM 0 HG12 VAL A 144 10.465 20.264 1.314 1.00 0.00 H new ATOM 0 HG13 VAL A 144 10.688 21.426 -0.015 1.00 0.00 H new ATOM 0 HG21 VAL A 144 7.974 22.839 0.378 1.00 0.00 H new ATOM 0 HG22 VAL A 144 8.599 22.338 -1.211 1.00 0.00 H new ATOM 0 HG23 VAL A 144 7.000 21.777 -0.667 1.00 0.00 H new ATOM 1788 N SER A 145 10.776 18.412 -0.323 1.00 0.00 N ATOM 1789 CA SER A 145 11.605 17.344 0.224 1.00 0.00 C ATOM 1790 C SER A 145 12.656 17.906 1.177 1.00 0.00 C ATOM 1791 O SER A 145 13.098 19.046 1.030 1.00 0.00 O ATOM 1792 CB SER A 145 12.287 16.570 -0.906 1.00 0.00 C ATOM 1793 OG SER A 145 13.358 15.785 -0.412 1.00 0.00 O ATOM 0 H SER A 145 11.282 19.087 -0.896 1.00 0.00 H new ATOM 0 HA SER A 145 10.959 16.666 0.782 1.00 0.00 H new ATOM 0 HB2 SER A 145 11.559 15.927 -1.402 1.00 0.00 H new ATOM 0 HB3 SER A 145 12.659 17.268 -1.656 1.00 0.00 H new ATOM 0 HG SER A 145 13.874 15.426 -1.164 1.00 0.00 H new ATOM 1799 N HIS A 146 13.051 17.098 2.155 1.00 0.00 N ATOM 1800 CA HIS A 146 14.050 17.513 3.133 1.00 0.00 C ATOM 1801 C HIS A 146 15.117 16.437 3.311 1.00 0.00 C ATOM 1802 O HIS A 146 14.868 15.245 3.124 1.00 0.00 O ATOM 1803 CB HIS A 146 13.385 17.814 4.477 1.00 0.00 C ATOM 1804 CG HIS A 146 12.070 18.520 4.349 1.00 0.00 C ATOM 1805 ND1 HIS A 146 11.932 19.885 4.493 1.00 0.00 N ATOM 1806 CD2 HIS A 146 10.831 18.044 4.088 1.00 0.00 C ATOM 1807 CE1 HIS A 146 10.664 20.217 4.327 1.00 0.00 C ATOM 1808 NE2 HIS A 146 9.975 19.117 4.080 1.00 0.00 N ATOM 0 H HIS A 146 12.695 16.152 2.292 1.00 0.00 H new ATOM 0 HA HIS A 146 14.530 18.419 2.762 1.00 0.00 H new ATOM 0 HB2 HIS A 146 13.235 16.879 5.017 1.00 0.00 H new ATOM 0 HB3 HIS A 146 14.059 18.424 5.078 1.00 0.00 H new ATOM 0 HD1 HIS A 146 12.690 20.536 4.696 1.00 0.00 H new ATOM 0 HD2 HIS A 146 10.565 17.011 3.918 1.00 0.00 H new ATOM 0 HE1 HIS A 146 10.260 21.217 4.384 1.00 0.00 H new ATOM 1816 N PRO A 147 16.334 16.864 3.679 1.00 0.00 N ATOM 1817 CA PRO A 147 17.463 15.953 3.889 1.00 0.00 C ATOM 1818 C PRO A 147 17.284 15.085 5.130 1.00 0.00 C ATOM 1819 O PRO A 147 17.082 15.594 6.232 1.00 0.00 O ATOM 1820 CB PRO A 147 18.654 16.898 4.064 1.00 0.00 C ATOM 1821 CG PRO A 147 18.058 18.170 4.560 1.00 0.00 C ATOM 1822 CD PRO A 147 16.701 18.270 3.919 1.00 0.00 C ATOM 0 HA PRO A 147 17.578 15.249 3.064 1.00 0.00 H new ATOM 0 HB2 PRO A 147 19.377 16.496 4.774 1.00 0.00 H new ATOM 0 HB3 PRO A 147 19.182 17.049 3.122 1.00 0.00 H new ATOM 0 HG2 PRO A 147 17.977 18.165 5.647 1.00 0.00 H new ATOM 0 HG3 PRO A 147 18.680 19.023 4.291 1.00 0.00 H new ATOM 0 HD2 PRO A 147 15.984 18.767 4.572 1.00 0.00 H new ATOM 0 HD3 PRO A 147 16.736 18.841 2.991 1.00 0.00 H new ATOM 1830 N GLY A 148 17.360 13.771 4.944 1.00 0.00 N ATOM 1831 CA GLY A 148 17.205 12.854 6.058 1.00 0.00 C ATOM 1832 C GLY A 148 15.829 12.218 6.099 1.00 0.00 C ATOM 1833 O GLY A 148 15.694 11.029 6.389 1.00 0.00 O ATOM 0 H GLY A 148 17.526 13.325 4.042 1.00 0.00 H new ATOM 0 HA2 GLY A 148 17.961 12.072 5.989 1.00 0.00 H new ATOM 0 HA3 GLY A 148 17.383 13.388 6.991 1.00 0.00 H new ATOM 1837 N LYS A 149 14.804 13.012 5.809 1.00 0.00 N ATOM 1838 CA LYS A 149 13.431 12.522 5.813 1.00 0.00 C ATOM 1839 C LYS A 149 13.141 11.705 4.558 1.00 0.00 C ATOM 1840 O LYS A 149 14.032 11.463 3.743 1.00 0.00 O ATOM 1841 CB LYS A 149 12.450 13.692 5.911 1.00 0.00 C ATOM 1842 CG LYS A 149 12.565 14.475 7.208 1.00 0.00 C ATOM 1843 CD LYS A 149 12.015 13.688 8.385 1.00 0.00 C ATOM 1844 CE LYS A 149 10.507 13.515 8.284 1.00 0.00 C ATOM 1845 NZ LYS A 149 9.939 12.877 9.503 1.00 0.00 N ATOM 0 H LYS A 149 14.898 13.999 5.568 1.00 0.00 H new ATOM 0 HA LYS A 149 13.305 11.877 6.682 1.00 0.00 H new ATOM 0 HB2 LYS A 149 12.618 14.368 5.072 1.00 0.00 H new ATOM 0 HB3 LYS A 149 11.433 13.312 5.815 1.00 0.00 H new ATOM 0 HG2 LYS A 149 13.610 14.724 7.392 1.00 0.00 H new ATOM 0 HG3 LYS A 149 12.025 15.417 7.115 1.00 0.00 H new ATOM 0 HD2 LYS A 149 12.493 12.709 8.425 1.00 0.00 H new ATOM 0 HD3 LYS A 149 12.262 14.201 9.314 1.00 0.00 H new ATOM 0 HE2 LYS A 149 10.039 14.488 8.132 1.00 0.00 H new ATOM 0 HE3 LYS A 149 10.269 12.907 7.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 8.924 12.699 9.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 10.426 11.976 9.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 10.069 13.509 10.318 1.00 0.00 H new ATOM 1859 N TYR A 150 11.890 11.284 4.408 1.00 0.00 N ATOM 1860 CA TYR A 150 11.483 10.494 3.252 1.00 0.00 C ATOM 1861 C TYR A 150 11.240 11.388 2.039 1.00 0.00 C ATOM 1862 O TYR A 150 10.978 12.583 2.176 1.00 0.00 O ATOM 1863 CB TYR A 150 10.218 9.697 3.573 1.00 0.00 C ATOM 1864 CG TYR A 150 10.491 8.381 4.267 1.00 0.00 C ATOM 1865 CD1 TYR A 150 10.813 7.243 3.539 1.00 0.00 C ATOM 1866 CD2 TYR A 150 10.427 8.278 5.651 1.00 0.00 C ATOM 1867 CE1 TYR A 150 11.062 6.039 4.169 1.00 0.00 C ATOM 1868 CE2 TYR A 150 10.677 7.078 6.290 1.00 0.00 C ATOM 1869 CZ TYR A 150 10.993 5.962 5.544 1.00 0.00 C ATOM 1870 OH TYR A 150 11.243 4.765 6.176 1.00 0.00 O ATOM 0 H TYR A 150 11.140 11.477 5.072 1.00 0.00 H new ATOM 0 HA TYR A 150 12.291 9.802 3.014 1.00 0.00 H new ATOM 0 HB2 TYR A 150 9.567 10.303 4.204 1.00 0.00 H new ATOM 0 HB3 TYR A 150 9.675 9.504 2.647 1.00 0.00 H new ATOM 0 HD1 TYR A 150 10.870 7.300 2.462 1.00 0.00 H new ATOM 0 HD2 TYR A 150 10.178 9.150 6.237 1.00 0.00 H new ATOM 0 HE1 TYR A 150 11.309 5.163 3.588 1.00 0.00 H new ATOM 0 HE2 TYR A 150 10.625 7.015 7.367 1.00 0.00 H new ATOM 0 HH TYR A 150 11.154 4.882 7.145 1.00 0.00 H new ATOM 1880 N THR A 151 11.329 10.799 0.851 1.00 0.00 N ATOM 1881 CA THR A 151 11.120 11.539 -0.387 1.00 0.00 C ATOM 1882 C THR A 151 9.927 10.990 -1.161 1.00 0.00 C ATOM 1883 O THR A 151 9.429 9.903 -0.866 1.00 0.00 O ATOM 1884 CB THR A 151 12.369 11.491 -1.288 1.00 0.00 C ATOM 1885 OG1 THR A 151 12.886 10.157 -1.337 1.00 0.00 O ATOM 1886 CG2 THR A 151 13.443 12.438 -0.775 1.00 0.00 C ATOM 0 H THR A 151 11.545 9.811 0.720 1.00 0.00 H new ATOM 0 HA THR A 151 10.923 12.574 -0.107 1.00 0.00 H new ATOM 0 HB THR A 151 12.079 11.805 -2.291 1.00 0.00 H new ATOM 0 HG1 THR A 151 13.679 10.134 -1.913 1.00 0.00 H new ATOM 0 HG21 THR A 151 14.315 12.387 -1.427 1.00 0.00 H new ATOM 0 HG22 THR A 151 13.056 13.457 -0.766 1.00 0.00 H new ATOM 0 HG23 THR A 151 13.729 12.150 0.237 1.00 0.00 H new ATOM 1894 N LEU A 152 9.474 11.747 -2.154 1.00 0.00 N ATOM 1895 CA LEU A 152 8.338 11.336 -2.973 1.00 0.00 C ATOM 1896 C LEU A 152 8.797 10.902 -4.361 1.00 0.00 C ATOM 1897 O LEU A 152 9.257 11.721 -5.158 1.00 0.00 O ATOM 1898 CB LEU A 152 7.329 12.479 -3.091 1.00 0.00 C ATOM 1899 CG LEU A 152 6.181 12.262 -4.077 1.00 0.00 C ATOM 1900 CD1 LEU A 152 5.391 11.015 -3.710 1.00 0.00 C ATOM 1901 CD2 LEU A 152 5.270 13.480 -4.113 1.00 0.00 C ATOM 0 H LEU A 152 9.875 12.649 -2.412 1.00 0.00 H new ATOM 0 HA LEU A 152 7.859 10.486 -2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 152 6.904 12.665 -2.105 1.00 0.00 H new ATOM 0 HB3 LEU A 152 7.866 13.382 -3.382 1.00 0.00 H new ATOM 0 HG LEU A 152 6.604 12.121 -5.071 1.00 0.00 H new ATOM 0 HD11 LEU A 152 4.578 10.876 -4.423 1.00 0.00 H new ATOM 0 HD12 LEU A 152 6.049 10.146 -3.737 1.00 0.00 H new ATOM 0 HD13 LEU A 152 4.979 11.127 -2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 152 4.459 13.307 -4.820 1.00 0.00 H new ATOM 0 HD22 LEU A 152 4.855 13.653 -3.120 1.00 0.00 H new ATOM 0 HD23 LEU A 152 5.843 14.354 -4.424 1.00 0.00 H new ATOM 1913 N ILE A 153 8.667 9.611 -4.645 1.00 0.00 N ATOM 1914 CA ILE A 153 9.065 9.069 -5.938 1.00 0.00 C ATOM 1915 C ILE A 153 7.870 8.478 -6.678 1.00 0.00 C ATOM 1916 O ILE A 153 6.765 8.414 -6.141 1.00 0.00 O ATOM 1917 CB ILE A 153 10.148 7.985 -5.786 1.00 0.00 C ATOM 1918 CG1 ILE A 153 9.931 7.195 -4.493 1.00 0.00 C ATOM 1919 CG2 ILE A 153 11.533 8.613 -5.802 1.00 0.00 C ATOM 1920 CD1 ILE A 153 10.505 7.872 -3.268 1.00 0.00 C ATOM 0 H ILE A 153 8.289 8.920 -3.997 1.00 0.00 H new ATOM 0 HA ILE A 153 9.473 9.899 -6.515 1.00 0.00 H new ATOM 0 HB ILE A 153 10.073 7.297 -6.628 1.00 0.00 H new ATOM 0 HG12 ILE A 153 8.862 7.041 -4.346 1.00 0.00 H new ATOM 0 HG13 ILE A 153 10.383 6.209 -4.599 1.00 0.00 H new ATOM 0 HG21 ILE A 153 12.287 7.834 -5.694 1.00 0.00 H new ATOM 0 HG22 ILE A 153 11.685 9.136 -6.746 1.00 0.00 H new ATOM 0 HG23 ILE A 153 11.621 9.320 -4.977 1.00 0.00 H new ATOM 0 HD11 ILE A 153 10.314 7.256 -2.389 1.00 0.00 H new ATOM 0 HD12 ILE A 153 11.580 8.002 -3.394 1.00 0.00 H new ATOM 0 HD13 ILE A 153 10.035 8.847 -3.137 1.00 0.00 H new ATOM 1932 N GLU A 154 8.101 8.045 -7.914 1.00 0.00 N ATOM 1933 CA GLU A 154 7.042 7.458 -8.727 1.00 0.00 C ATOM 1934 C GLU A 154 7.438 6.066 -9.211 1.00 0.00 C ATOM 1935 O GLU A 154 6.854 5.537 -10.158 1.00 0.00 O ATOM 1936 CB GLU A 154 6.730 8.357 -9.925 1.00 0.00 C ATOM 1937 CG GLU A 154 7.952 8.709 -10.757 1.00 0.00 C ATOM 1938 CD GLU A 154 7.650 9.733 -11.833 1.00 0.00 C ATOM 1939 OE1 GLU A 154 6.544 9.676 -12.411 1.00 0.00 O ATOM 1940 OE2 GLU A 154 8.518 10.590 -12.098 1.00 0.00 O ATOM 0 H GLU A 154 9.011 8.090 -8.373 1.00 0.00 H new ATOM 0 HA GLU A 154 6.150 7.369 -8.107 1.00 0.00 H new ATOM 0 HB2 GLU A 154 5.999 7.859 -10.562 1.00 0.00 H new ATOM 0 HB3 GLU A 154 6.267 9.277 -9.567 1.00 0.00 H new ATOM 0 HG2 GLU A 154 8.734 9.095 -10.103 1.00 0.00 H new ATOM 0 HG3 GLU A 154 8.343 7.804 -11.222 1.00 0.00 H new ATOM 1947 N VAL A 155 8.433 5.478 -8.556 1.00 0.00 N ATOM 1948 CA VAL A 155 8.907 4.147 -8.918 1.00 0.00 C ATOM 1949 C VAL A 155 9.191 4.054 -10.413 1.00 0.00 C ATOM 1950 O VAL A 155 8.894 4.977 -11.170 1.00 0.00 O ATOM 1951 CB VAL A 155 7.884 3.063 -8.532 1.00 0.00 C ATOM 1952 CG1 VAL A 155 6.702 3.079 -9.489 1.00 0.00 C ATOM 1953 CG2 VAL A 155 8.544 1.692 -8.511 1.00 0.00 C ATOM 0 H VAL A 155 8.927 5.902 -7.771 1.00 0.00 H new ATOM 0 HA VAL A 155 9.830 3.977 -8.364 1.00 0.00 H new ATOM 0 HB VAL A 155 7.513 3.279 -7.530 1.00 0.00 H new ATOM 0 HG11 VAL A 155 5.990 2.306 -9.200 1.00 0.00 H new ATOM 0 HG12 VAL A 155 6.216 4.054 -9.450 1.00 0.00 H new ATOM 0 HG13 VAL A 155 7.053 2.889 -10.503 1.00 0.00 H new ATOM 0 HG21 VAL A 155 7.807 0.938 -8.236 1.00 0.00 H new ATOM 0 HG22 VAL A 155 8.944 1.466 -9.499 1.00 0.00 H new ATOM 0 HG23 VAL A 155 9.355 1.690 -7.782 1.00 0.00 H new ATOM 1963 N GLN A 156 9.769 2.932 -10.831 1.00 0.00 N ATOM 1964 CA GLN A 156 10.093 2.718 -12.236 1.00 0.00 C ATOM 1965 C GLN A 156 9.607 1.350 -12.705 1.00 0.00 C ATOM 1966 O GLN A 156 9.925 0.327 -12.101 1.00 0.00 O ATOM 1967 CB GLN A 156 11.602 2.838 -12.457 1.00 0.00 C ATOM 1968 CG GLN A 156 12.402 1.711 -11.824 1.00 0.00 C ATOM 1969 CD GLN A 156 13.898 1.893 -11.988 1.00 0.00 C ATOM 1970 OE1 GLN A 156 14.434 1.760 -13.088 1.00 0.00 O ATOM 1971 NE2 GLN A 156 14.581 2.200 -10.891 1.00 0.00 N ATOM 0 H GLN A 156 10.022 2.158 -10.217 1.00 0.00 H new ATOM 0 HA GLN A 156 9.584 3.485 -12.821 1.00 0.00 H new ATOM 0 HB2 GLN A 156 11.803 2.858 -13.528 1.00 0.00 H new ATOM 0 HB3 GLN A 156 11.946 3.789 -12.050 1.00 0.00 H new ATOM 0 HG2 GLN A 156 12.161 1.652 -10.763 1.00 0.00 H new ATOM 0 HG3 GLN A 156 12.104 0.763 -12.272 1.00 0.00 H new ATOM 0 HE21 GLN A 156 14.096 2.301 -9.999 1.00 0.00 H new ATOM 0 HE22 GLN A 156 15.591 2.335 -10.940 1.00 0.00 H new ATOM 1980 N ALA A 157 8.833 1.342 -13.786 1.00 0.00 N ATOM 1981 CA ALA A 157 8.304 0.101 -14.337 1.00 0.00 C ATOM 1982 C ALA A 157 9.430 -0.827 -14.782 1.00 0.00 C ATOM 1983 O ALA A 157 9.192 -1.829 -15.456 1.00 0.00 O ATOM 1984 CB ALA A 157 7.370 0.396 -15.501 1.00 0.00 C ATOM 0 H ALA A 157 8.559 2.181 -14.297 1.00 0.00 H new ATOM 0 HA ALA A 157 7.741 -0.404 -13.552 1.00 0.00 H new ATOM 0 HB1 ALA A 157 6.982 -0.540 -15.903 1.00 0.00 H new ATOM 0 HB2 ALA A 157 6.541 1.013 -15.155 1.00 0.00 H new ATOM 0 HB3 ALA A 157 7.917 0.927 -16.281 1.00 0.00 H new TER 1990 ALA A 157