USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 757 hydrogens (27 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 104 LYS NZ :NH3+ 164:sc= 0.406 (180deg=0) USER MOD Set 1.2: A 105 ASN : amide:sc= 0.176 K(o=0.58,f=-3.5!) USER MOD Set 2.1: A 53 MET CE :methyl -174:sc= -0.434 (180deg=-0.454) USER MOD Set 2.2: A 99 TYR OH : rot 180:sc= -0.0116 USER MOD Set 3.1: A 72 HIS : no HD1:sc= 1.07 K(o=1.1,f=-4.5!) USER MOD Set 3.2: A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 73 MET CE :methyl 165:sc= -0.0494 (180deg=-0.59) USER MOD Set 4.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 66 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: A 59 TYR OH : rot -38:sc= 1.66 USER MOD Set 6.2: A 63 LYS NZ :NH3+ 149:sc= 1.04 (180deg=0.103) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 25 ASN : amide:sc= -0.913 K(o=-0.91,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.374 X(o=-0.37,f=-0.4) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= 0.456 K(o=0.46,f=-2.9!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -86:sc= 0.825 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc=-0.00981 X(o=-0.0098,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0.144 USER MOD Single : A 58 GLN : amide:sc= 1.02 K(o=1,f=-0.53) USER MOD Single : A 64 GLN : amide:sc= 0.151 X(o=0.15,f=0) USER MOD Single : A 68 GLN : amide:sc= 0.734 K(o=0.73,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.0364 X(o=-0.036,f=-0.036) USER MOD Single : A 71 GLN : amide:sc= 0.963 K(o=0.96,f=-0.068) USER MOD Single : A 76 CYS SG : rot 180:sc= -0.435 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.364 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -142:sc= -0.742 (180deg=-1.48!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.192 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 6.716 15.272 13.034 1.00 0.00 N ATOM 2 CA GLN A 23 7.716 14.475 12.317 1.00 0.00 C ATOM 3 C GLN A 23 7.062 13.394 11.434 1.00 0.00 C ATOM 4 O GLN A 23 6.041 12.808 11.804 1.00 0.00 O ATOM 5 CB GLN A 23 8.699 13.835 13.316 1.00 0.00 C ATOM 6 CG GLN A 23 9.495 14.870 14.133 1.00 0.00 C ATOM 7 CD GLN A 23 10.459 14.243 15.146 1.00 0.00 C ATOM 8 OE1 GLN A 23 10.630 13.033 15.251 1.00 0.00 O ATOM 9 NE2 GLN A 23 11.133 15.048 15.942 1.00 0.00 N ATOM 0 HA GLN A 23 8.264 15.146 11.656 1.00 0.00 H new ATOM 0 HB2 GLN A 23 8.145 13.191 13.999 1.00 0.00 H new ATOM 0 HB3 GLN A 23 9.396 13.198 12.772 1.00 0.00 H new ATOM 0 HG2 GLN A 23 10.061 15.503 13.449 1.00 0.00 H new ATOM 0 HG3 GLN A 23 8.796 15.518 14.662 1.00 0.00 H new ATOM 0 HE21 GLN A 23 11.006 16.058 15.872 1.00 0.00 H new ATOM 0 HE22 GLN A 23 11.781 14.661 16.628 1.00 0.00 H new ATOM 18 N ILE A 24 7.664 13.106 10.272 1.00 0.00 N ATOM 19 CA ILE A 24 7.077 12.216 9.249 1.00 0.00 C ATOM 20 C ILE A 24 7.320 10.724 9.514 1.00 0.00 C ATOM 21 O ILE A 24 6.463 9.897 9.197 1.00 0.00 O ATOM 22 CB ILE A 24 7.556 12.663 7.844 1.00 0.00 C ATOM 23 CG1 ILE A 24 6.757 13.906 7.392 1.00 0.00 C ATOM 24 CG2 ILE A 24 7.431 11.532 6.809 1.00 0.00 C ATOM 25 CD1 ILE A 24 7.411 14.698 6.253 1.00 0.00 C ATOM 0 H ILE A 24 8.575 13.483 10.010 1.00 0.00 H new ATOM 0 HA ILE A 24 5.993 12.318 9.301 1.00 0.00 H new ATOM 0 HB ILE A 24 8.613 12.918 7.913 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.764 13.589 7.074 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.622 14.567 8.248 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.777 11.887 5.838 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.039 10.683 7.123 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.389 11.223 6.732 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.785 15.553 5.998 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.393 15.049 6.571 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.521 14.055 5.379 1.00 0.00 H new ATOM 37 N ASN A 25 8.467 10.380 10.112 1.00 0.00 N ATOM 38 CA ASN A 25 8.892 8.996 10.388 1.00 0.00 C ATOM 39 C ASN A 25 9.140 8.149 9.111 1.00 0.00 C ATOM 40 O ASN A 25 8.736 6.989 8.999 1.00 0.00 O ATOM 41 CB ASN A 25 7.969 8.326 11.426 1.00 0.00 C ATOM 42 CG ASN A 25 8.286 8.733 12.853 1.00 0.00 C ATOM 43 OD1 ASN A 25 8.425 7.923 13.760 1.00 0.00 O ATOM 44 ND2 ASN A 25 8.421 10.018 13.072 1.00 0.00 N ATOM 0 H ASN A 25 9.146 11.073 10.427 1.00 0.00 H new ATOM 0 HA ASN A 25 9.880 9.052 10.846 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.934 8.583 11.202 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.055 7.243 11.335 1.00 0.00 H new ATOM 0 HD21 ASN A 25 8.645 10.355 14.008 1.00 0.00 H new ATOM 0 HD22 ASN A 25 8.302 10.681 12.306 1.00 0.00 H new ATOM 51 N GLN A 26 9.810 8.758 8.133 1.00 0.00 N ATOM 52 CA GLN A 26 10.193 8.168 6.839 1.00 0.00 C ATOM 53 C GLN A 26 11.660 8.492 6.464 1.00 0.00 C ATOM 54 O GLN A 26 12.417 8.990 7.298 1.00 0.00 O ATOM 55 CB GLN A 26 9.147 8.443 5.751 1.00 0.00 C ATOM 56 CG GLN A 26 8.967 7.182 4.880 1.00 0.00 C ATOM 57 CD GLN A 26 8.269 6.034 5.623 1.00 0.00 C ATOM 58 OE1 GLN A 26 7.141 6.138 6.085 1.00 0.00 O ATOM 59 NE2 GLN A 26 8.918 4.899 5.782 1.00 0.00 N ATOM 0 H GLN A 26 10.119 9.726 8.221 1.00 0.00 H new ATOM 0 HA GLN A 26 10.185 7.083 6.939 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.197 8.722 6.207 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.462 9.283 5.132 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.387 7.439 3.994 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.944 6.843 4.535 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.859 4.793 5.404 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.479 4.126 6.283 1.00 0.00 H new ATOM 68 N VAL A 27 12.101 8.132 5.252 1.00 0.00 N ATOM 69 CA VAL A 27 13.518 8.134 4.831 1.00 0.00 C ATOM 70 C VAL A 27 13.943 9.289 3.921 1.00 0.00 C ATOM 71 O VAL A 27 13.120 9.929 3.266 1.00 0.00 O ATOM 72 CB VAL A 27 13.872 6.785 4.162 1.00 0.00 C ATOM 73 CG1 VAL A 27 13.615 5.604 5.106 1.00 0.00 C ATOM 74 CG2 VAL A 27 13.109 6.552 2.851 1.00 0.00 C ATOM 0 H VAL A 27 11.469 7.822 4.513 1.00 0.00 H new ATOM 0 HA VAL A 27 14.080 8.282 5.753 1.00 0.00 H new ATOM 0 HB VAL A 27 14.936 6.844 3.931 1.00 0.00 H new ATOM 0 HG11 VAL A 27 13.875 4.673 4.603 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.226 5.715 6.002 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.562 5.584 5.385 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.398 5.590 2.428 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.037 6.554 3.049 1.00 0.00 H new ATOM 0 HG23 VAL A 27 13.349 7.346 2.144 1.00 0.00 H new ATOM 84 N ARG A 28 15.260 9.538 3.879 1.00 0.00 N ATOM 85 CA ARG A 28 15.903 10.569 3.051 1.00 0.00 C ATOM 86 C ARG A 28 16.460 9.982 1.735 1.00 0.00 C ATOM 87 O ARG A 28 17.156 8.964 1.788 1.00 0.00 O ATOM 88 CB ARG A 28 16.960 11.300 3.904 1.00 0.00 C ATOM 89 CG ARG A 28 17.651 12.455 3.158 1.00 0.00 C ATOM 90 CD ARG A 28 18.492 13.350 4.077 1.00 0.00 C ATOM 91 NE ARG A 28 19.748 12.714 4.514 1.00 0.00 N ATOM 92 CZ ARG A 28 20.724 13.317 5.173 1.00 0.00 C ATOM 93 NH1 ARG A 28 20.668 14.576 5.508 1.00 0.00 N ATOM 94 NH2 ARG A 28 21.794 12.656 5.514 1.00 0.00 N ATOM 0 H ARG A 28 15.929 9.010 4.439 1.00 0.00 H new ATOM 0 HA ARG A 28 15.166 11.305 2.731 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.484 11.691 4.803 1.00 0.00 H new ATOM 0 HB3 ARG A 28 17.714 10.583 4.228 1.00 0.00 H new ATOM 0 HG2 ARG A 28 18.291 12.044 2.377 1.00 0.00 H new ATOM 0 HG3 ARG A 28 16.894 13.063 2.662 1.00 0.00 H new ATOM 0 HD2 ARG A 28 18.724 14.279 3.556 1.00 0.00 H new ATOM 0 HD3 ARG A 28 17.902 13.616 4.954 1.00 0.00 H new ATOM 0 HE ARG A 28 19.875 11.727 4.290 1.00 0.00 H new ATOM 0 HH11 ARG A 28 19.850 15.133 5.262 1.00 0.00 H new ATOM 0 HH12 ARG A 28 21.442 15.003 6.016 1.00 0.00 H new ATOM 0 HH21 ARG A 28 21.882 11.669 5.273 1.00 0.00 H new ATOM 0 HH22 ARG A 28 22.543 13.126 6.022 1.00 0.00 H new ATOM 108 N PRO A 29 16.191 10.602 0.565 1.00 0.00 N ATOM 109 CA PRO A 29 16.796 10.230 -0.722 1.00 0.00 C ATOM 110 C PRO A 29 18.318 10.452 -0.774 1.00 0.00 C ATOM 111 O PRO A 29 18.884 11.159 0.063 1.00 0.00 O ATOM 112 CB PRO A 29 16.111 11.114 -1.777 1.00 0.00 C ATOM 113 CG PRO A 29 14.877 11.698 -1.097 1.00 0.00 C ATOM 114 CD PRO A 29 15.238 11.685 0.380 1.00 0.00 C ATOM 0 HA PRO A 29 16.651 9.163 -0.893 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.780 11.904 -2.118 1.00 0.00 H new ATOM 0 HB3 PRO A 29 15.834 10.530 -2.655 1.00 0.00 H new ATOM 0 HG2 PRO A 29 14.667 12.708 -1.449 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.989 11.099 -1.297 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.672 12.639 0.681 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.351 11.530 0.994 1.00 0.00 H new ATOM 122 N LYS A 30 18.982 9.912 -1.810 1.00 0.00 N ATOM 123 CA LYS A 30 20.391 10.247 -2.104 1.00 0.00 C ATOM 124 C LYS A 30 20.496 11.711 -2.558 1.00 0.00 C ATOM 125 O LYS A 30 19.518 12.281 -3.039 1.00 0.00 O ATOM 126 CB LYS A 30 20.997 9.272 -3.141 1.00 0.00 C ATOM 127 CG LYS A 30 22.474 8.968 -2.828 1.00 0.00 C ATOM 128 CD LYS A 30 23.303 8.553 -4.053 1.00 0.00 C ATOM 129 CE LYS A 30 24.784 8.431 -3.658 1.00 0.00 C ATOM 130 NZ LYS A 30 25.635 8.000 -4.803 1.00 0.00 N ATOM 0 H LYS A 30 18.569 9.242 -2.459 1.00 0.00 H new ATOM 0 HA LYS A 30 20.977 10.133 -1.192 1.00 0.00 H new ATOM 0 HB2 LYS A 30 20.426 8.344 -3.147 1.00 0.00 H new ATOM 0 HB3 LYS A 30 20.916 9.703 -4.139 1.00 0.00 H new ATOM 0 HG2 LYS A 30 22.928 9.851 -2.378 1.00 0.00 H new ATOM 0 HG3 LYS A 30 22.520 8.172 -2.085 1.00 0.00 H new ATOM 0 HD2 LYS A 30 22.941 7.602 -4.444 1.00 0.00 H new ATOM 0 HD3 LYS A 30 23.188 9.289 -4.849 1.00 0.00 H new ATOM 0 HE2 LYS A 30 25.139 9.391 -3.284 1.00 0.00 H new ATOM 0 HE3 LYS A 30 24.884 7.714 -2.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 26.625 7.931 -4.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 25.313 7.072 -5.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 25.561 8.696 -5.572 1.00 0.00 H new ATOM 144 N LEU A 31 21.686 12.302 -2.478 1.00 0.00 N ATOM 145 CA LEU A 31 21.944 13.721 -2.761 1.00 0.00 C ATOM 146 C LEU A 31 21.345 14.238 -4.094 1.00 0.00 C ATOM 147 O LEU A 31 20.610 15.226 -4.042 1.00 0.00 O ATOM 148 CB LEU A 31 23.464 13.948 -2.618 1.00 0.00 C ATOM 149 CG LEU A 31 23.939 15.385 -2.885 1.00 0.00 C ATOM 150 CD1 LEU A 31 23.320 16.398 -1.918 1.00 0.00 C ATOM 151 CD2 LEU A 31 25.460 15.461 -2.751 1.00 0.00 C ATOM 0 H LEU A 31 22.528 11.794 -2.206 1.00 0.00 H new ATOM 0 HA LEU A 31 21.410 14.334 -2.035 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.764 13.665 -1.609 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.981 13.278 -3.305 1.00 0.00 H new ATOM 0 HG LEU A 31 23.620 15.638 -3.896 1.00 0.00 H new ATOM 0 HD11 LEU A 31 23.690 17.397 -2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 31 22.235 16.380 -2.018 1.00 0.00 H new ATOM 0 HD13 LEU A 31 23.594 16.139 -0.895 1.00 0.00 H new ATOM 0 HD21 LEU A 31 25.791 16.482 -2.941 1.00 0.00 H new ATOM 0 HD22 LEU A 31 25.752 15.167 -1.743 1.00 0.00 H new ATOM 0 HD23 LEU A 31 25.923 14.789 -3.473 1.00 0.00 H new ATOM 163 N PRO A 32 21.555 13.597 -5.268 1.00 0.00 N ATOM 164 CA PRO A 32 20.960 14.065 -6.529 1.00 0.00 C ATOM 165 C PRO A 32 19.430 13.942 -6.574 1.00 0.00 C ATOM 166 O PRO A 32 18.772 14.795 -7.168 1.00 0.00 O ATOM 167 CB PRO A 32 21.619 13.233 -7.636 1.00 0.00 C ATOM 168 CG PRO A 32 22.096 11.971 -6.920 1.00 0.00 C ATOM 169 CD PRO A 32 22.468 12.490 -5.535 1.00 0.00 C ATOM 0 HA PRO A 32 21.144 15.133 -6.650 1.00 0.00 H new ATOM 0 HB2 PRO A 32 20.912 12.997 -8.431 1.00 0.00 H new ATOM 0 HB3 PRO A 32 22.450 13.768 -8.096 1.00 0.00 H new ATOM 0 HG2 PRO A 32 21.314 11.213 -6.872 1.00 0.00 H new ATOM 0 HG3 PRO A 32 22.949 11.517 -7.425 1.00 0.00 H new ATOM 0 HD2 PRO A 32 22.365 11.708 -4.783 1.00 0.00 H new ATOM 0 HD3 PRO A 32 23.505 12.823 -5.508 1.00 0.00 H new ATOM 177 N LEU A 33 18.848 12.928 -5.913 1.00 0.00 N ATOM 178 CA LEU A 33 17.390 12.785 -5.801 1.00 0.00 C ATOM 179 C LEU A 33 16.818 13.922 -4.944 1.00 0.00 C ATOM 180 O LEU A 33 15.879 14.603 -5.349 1.00 0.00 O ATOM 181 CB LEU A 33 16.997 11.412 -5.201 1.00 0.00 C ATOM 182 CG LEU A 33 17.004 10.210 -6.155 1.00 0.00 C ATOM 183 CD1 LEU A 33 18.418 9.764 -6.515 1.00 0.00 C ATOM 184 CD2 LEU A 33 16.285 9.037 -5.487 1.00 0.00 C ATOM 0 H LEU A 33 19.373 12.189 -5.444 1.00 0.00 H new ATOM 0 HA LEU A 33 16.968 12.840 -6.804 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.676 11.195 -4.377 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.998 11.501 -4.775 1.00 0.00 H new ATOM 0 HG LEU A 33 16.500 10.518 -7.071 1.00 0.00 H new ATOM 0 HD11 LEU A 33 18.369 8.911 -7.192 1.00 0.00 H new ATOM 0 HD12 LEU A 33 18.945 10.584 -7.002 1.00 0.00 H new ATOM 0 HD13 LEU A 33 18.951 9.478 -5.608 1.00 0.00 H new ATOM 0 HD21 LEU A 33 16.286 8.179 -6.159 1.00 0.00 H new ATOM 0 HD22 LEU A 33 16.799 8.774 -4.562 1.00 0.00 H new ATOM 0 HD23 LEU A 33 15.257 9.321 -5.262 1.00 0.00 H new ATOM 196 N LEU A 34 17.421 14.170 -3.777 1.00 0.00 N ATOM 197 CA LEU A 34 16.993 15.221 -2.851 1.00 0.00 C ATOM 198 C LEU A 34 17.116 16.619 -3.477 1.00 0.00 C ATOM 199 O LEU A 34 16.235 17.446 -3.265 1.00 0.00 O ATOM 200 CB LEU A 34 17.813 15.080 -1.554 1.00 0.00 C ATOM 201 CG LEU A 34 17.420 16.047 -0.420 1.00 0.00 C ATOM 202 CD1 LEU A 34 15.968 15.857 0.025 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.322 15.793 0.787 1.00 0.00 C ATOM 0 H LEU A 34 18.228 13.641 -3.446 1.00 0.00 H new ATOM 0 HA LEU A 34 15.934 15.103 -2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.713 14.058 -1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.866 15.232 -1.791 1.00 0.00 H new ATOM 0 HG LEU A 34 17.534 17.062 -0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.738 16.560 0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.302 16.037 -0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.828 14.838 0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.050 16.474 1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.198 14.764 1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.362 15.960 0.506 1.00 0.00 H new ATOM 215 N LYS A 35 18.138 16.876 -4.306 1.00 0.00 N ATOM 216 CA LYS A 35 18.328 18.163 -4.996 1.00 0.00 C ATOM 217 C LYS A 35 17.155 18.560 -5.902 1.00 0.00 C ATOM 218 O LYS A 35 16.722 19.704 -5.849 1.00 0.00 O ATOM 219 CB LYS A 35 19.653 18.125 -5.784 1.00 0.00 C ATOM 220 CG LYS A 35 20.333 19.502 -5.808 1.00 0.00 C ATOM 221 CD LYS A 35 21.037 19.793 -4.468 1.00 0.00 C ATOM 222 CE LYS A 35 22.457 19.208 -4.370 1.00 0.00 C ATOM 223 NZ LYS A 35 23.446 19.968 -5.190 1.00 0.00 N ATOM 0 H LYS A 35 18.863 16.191 -4.519 1.00 0.00 H new ATOM 0 HA LYS A 35 18.369 18.937 -4.230 1.00 0.00 H new ATOM 0 HB2 LYS A 35 20.325 17.394 -5.334 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.461 17.795 -6.805 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.059 19.539 -6.620 1.00 0.00 H new ATOM 0 HG3 LYS A 35 19.591 20.275 -6.009 1.00 0.00 H new ATOM 0 HD2 LYS A 35 21.088 20.872 -4.323 1.00 0.00 H new ATOM 0 HD3 LYS A 35 20.432 19.390 -3.656 1.00 0.00 H new ATOM 0 HE2 LYS A 35 22.776 19.210 -3.328 1.00 0.00 H new ATOM 0 HE3 LYS A 35 22.442 18.168 -4.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 24.386 19.534 -5.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 23.159 19.945 -6.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 23.483 20.954 -4.863 1.00 0.00 H new ATOM 237 N ILE A 36 16.594 17.619 -6.668 1.00 0.00 N ATOM 238 CA ILE A 36 15.386 17.810 -7.503 1.00 0.00 C ATOM 239 C ILE A 36 14.198 18.220 -6.602 1.00 0.00 C ATOM 240 O ILE A 36 13.540 19.226 -6.849 1.00 0.00 O ATOM 241 CB ILE A 36 15.092 16.511 -8.279 1.00 0.00 C ATOM 242 CG1 ILE A 36 16.242 16.260 -9.281 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.750 16.591 -9.031 1.00 0.00 C ATOM 244 CD1 ILE A 36 16.358 14.793 -9.669 1.00 0.00 C ATOM 0 H ILE A 36 16.972 16.674 -6.732 1.00 0.00 H new ATOM 0 HA ILE A 36 15.548 18.607 -8.229 1.00 0.00 H new ATOM 0 HB ILE A 36 15.021 15.688 -7.568 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.078 16.859 -10.177 1.00 0.00 H new ATOM 0 HG13 ILE A 36 17.183 16.593 -8.843 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.577 15.657 -9.566 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.942 16.756 -8.318 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.780 17.417 -9.742 1.00 0.00 H new ATOM 0 HD11 ILE A 36 17.180 14.667 -10.374 1.00 0.00 H new ATOM 0 HD12 ILE A 36 16.550 14.195 -8.778 1.00 0.00 H new ATOM 0 HD13 ILE A 36 15.428 14.465 -10.133 1.00 0.00 H new ATOM 256 N LEU A 37 13.959 17.486 -5.503 1.00 0.00 N ATOM 257 CA LEU A 37 12.858 17.711 -4.557 1.00 0.00 C ATOM 258 C LEU A 37 12.997 19.059 -3.830 1.00 0.00 C ATOM 259 O LEU A 37 12.027 19.796 -3.673 1.00 0.00 O ATOM 260 CB LEU A 37 12.862 16.534 -3.555 1.00 0.00 C ATOM 261 CG LEU A 37 12.320 15.179 -4.053 1.00 0.00 C ATOM 262 CD1 LEU A 37 12.416 14.848 -5.545 1.00 0.00 C ATOM 263 CD2 LEU A 37 12.941 14.033 -3.259 1.00 0.00 C ATOM 0 H LEU A 37 14.547 16.694 -5.242 1.00 0.00 H new ATOM 0 HA LEU A 37 11.910 17.754 -5.094 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.887 16.383 -3.216 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.278 16.831 -2.684 1.00 0.00 H new ATOM 0 HG LEU A 37 11.250 15.294 -3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.991 13.861 -5.727 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.864 15.592 -6.119 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.462 14.855 -5.853 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.548 13.084 -3.623 1.00 0.00 H new ATOM 0 HD22 LEU A 37 14.024 14.049 -3.383 1.00 0.00 H new ATOM 0 HD23 LEU A 37 12.695 14.147 -2.203 1.00 0.00 H new ATOM 275 N HIS A 38 14.216 19.425 -3.434 1.00 0.00 N ATOM 276 CA HIS A 38 14.533 20.703 -2.789 1.00 0.00 C ATOM 277 C HIS A 38 14.436 21.880 -3.759 1.00 0.00 C ATOM 278 O HIS A 38 13.833 22.892 -3.406 1.00 0.00 O ATOM 279 CB HIS A 38 15.908 20.589 -2.110 1.00 0.00 C ATOM 280 CG HIS A 38 15.833 20.008 -0.712 1.00 0.00 C ATOM 281 ND1 HIS A 38 16.770 20.213 0.307 1.00 0.00 N ATOM 282 CD2 HIS A 38 14.777 19.311 -0.195 1.00 0.00 C ATOM 283 CE1 HIS A 38 16.252 19.639 1.409 1.00 0.00 C ATOM 284 NE2 HIS A 38 15.051 19.099 1.138 1.00 0.00 N ATOM 0 H HIS A 38 15.033 18.826 -3.555 1.00 0.00 H new ATOM 0 HA HIS A 38 13.788 20.916 -2.022 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.559 19.965 -2.722 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.367 21.577 -2.063 1.00 0.00 H new ATOM 0 HD2 HIS A 38 13.896 18.988 -0.730 1.00 0.00 H new ATOM 0 HE1 HIS A 38 16.734 19.616 2.375 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.448 18.616 1.804 1.00 0.00 H new ATOM 292 N ALA A 39 14.873 21.713 -5.011 1.00 0.00 N ATOM 293 CA ALA A 39 14.668 22.692 -6.079 1.00 0.00 C ATOM 294 C ALA A 39 13.176 22.910 -6.398 1.00 0.00 C ATOM 295 O ALA A 39 12.804 23.964 -6.920 1.00 0.00 O ATOM 296 CB ALA A 39 15.482 22.253 -7.298 1.00 0.00 C ATOM 0 H ALA A 39 15.385 20.884 -5.313 1.00 0.00 H new ATOM 0 HA ALA A 39 15.023 23.669 -5.751 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.342 22.971 -8.106 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.538 22.206 -7.033 1.00 0.00 H new ATOM 0 HB3 ALA A 39 15.146 21.269 -7.625 1.00 0.00 H new ATOM 302 N ALA A 40 12.317 21.954 -6.027 1.00 0.00 N ATOM 303 CA ALA A 40 10.869 22.112 -6.059 1.00 0.00 C ATOM 304 C ALA A 40 10.293 22.814 -4.812 1.00 0.00 C ATOM 305 O ALA A 40 9.203 23.380 -4.901 1.00 0.00 O ATOM 306 CB ALA A 40 10.222 20.737 -6.242 1.00 0.00 C ATOM 0 H ALA A 40 12.618 21.039 -5.692 1.00 0.00 H new ATOM 0 HA ALA A 40 10.635 22.765 -6.900 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.138 20.846 -6.267 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.564 20.296 -7.178 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.503 20.089 -5.411 1.00 0.00 H new ATOM 312 N GLY A 41 10.974 22.756 -3.657 1.00 0.00 N ATOM 313 CA GLY A 41 10.470 23.237 -2.363 1.00 0.00 C ATOM 314 C GLY A 41 9.769 22.140 -1.551 1.00 0.00 C ATOM 315 O GLY A 41 8.552 22.189 -1.353 1.00 0.00 O ATOM 0 H GLY A 41 11.913 22.363 -3.597 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.300 23.638 -1.782 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.773 24.058 -2.532 1.00 0.00 H new ATOM 319 N ALA A 42 10.533 21.141 -1.094 1.00 0.00 N ATOM 320 CA ALA A 42 10.047 20.061 -0.228 1.00 0.00 C ATOM 321 C ALA A 42 9.818 20.509 1.231 1.00 0.00 C ATOM 322 O ALA A 42 10.404 21.490 1.696 1.00 0.00 O ATOM 323 CB ALA A 42 11.004 18.868 -0.317 1.00 0.00 C ATOM 0 H ALA A 42 11.524 21.059 -1.320 1.00 0.00 H new ATOM 0 HA ALA A 42 9.064 19.759 -0.590 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.645 18.064 0.326 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.051 18.515 -1.347 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.999 19.174 0.007 1.00 0.00 H new ATOM 329 N GLN A 43 8.995 19.757 1.972 1.00 0.00 N ATOM 330 CA GLN A 43 8.575 20.074 3.349 1.00 0.00 C ATOM 331 C GLN A 43 9.450 19.385 4.427 1.00 0.00 C ATOM 332 O GLN A 43 8.984 19.061 5.522 1.00 0.00 O ATOM 333 CB GLN A 43 7.060 19.805 3.477 1.00 0.00 C ATOM 334 CG GLN A 43 6.381 20.644 4.577 1.00 0.00 C ATOM 335 CD GLN A 43 4.871 20.410 4.690 1.00 0.00 C ATOM 336 OE1 GLN A 43 4.252 19.631 3.974 1.00 0.00 O ATOM 337 NE2 GLN A 43 4.205 21.085 5.606 1.00 0.00 N ATOM 0 H GLN A 43 8.590 18.888 1.624 1.00 0.00 H new ATOM 0 HA GLN A 43 8.742 21.133 3.547 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.579 20.015 2.521 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.903 18.747 3.688 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.847 20.415 5.535 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.562 21.700 4.379 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.696 21.740 6.215 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.199 20.953 5.706 1.00 0.00 H new ATOM 346 N GLY A 44 10.724 19.130 4.109 1.00 0.00 N ATOM 347 CA GLY A 44 11.686 18.440 4.979 1.00 0.00 C ATOM 348 C GLY A 44 12.799 17.722 4.213 1.00 0.00 C ATOM 349 O GLY A 44 13.122 18.071 3.076 1.00 0.00 O ATOM 0 H GLY A 44 11.127 19.406 3.213 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.134 19.165 5.659 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.152 17.714 5.593 1.00 0.00 H new ATOM 353 N GLU A 45 13.369 16.692 4.843 1.00 0.00 N ATOM 354 CA GLU A 45 14.333 15.755 4.235 1.00 0.00 C ATOM 355 C GLU A 45 13.893 14.278 4.309 1.00 0.00 C ATOM 356 O GLU A 45 14.514 13.431 3.674 1.00 0.00 O ATOM 357 CB GLU A 45 15.703 15.922 4.912 1.00 0.00 C ATOM 358 CG GLU A 45 16.408 17.239 4.569 1.00 0.00 C ATOM 359 CD GLU A 45 17.772 17.333 5.284 1.00 0.00 C ATOM 360 OE1 GLU A 45 18.657 16.474 5.045 1.00 0.00 O ATOM 361 OE2 GLU A 45 17.973 18.272 6.094 1.00 0.00 O ATOM 0 H GLU A 45 13.170 16.475 5.820 1.00 0.00 H new ATOM 0 HA GLU A 45 14.389 16.006 3.176 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.573 15.861 5.993 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.345 15.091 4.621 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.552 17.310 3.491 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.780 18.080 4.862 1.00 0.00 H new ATOM 368 N MET A 46 12.841 13.952 5.068 1.00 0.00 N ATOM 369 CA MET A 46 12.348 12.582 5.313 1.00 0.00 C ATOM 370 C MET A 46 10.933 12.399 4.736 1.00 0.00 C ATOM 371 O MET A 46 9.996 13.027 5.224 1.00 0.00 O ATOM 372 CB MET A 46 12.382 12.239 6.811 1.00 0.00 C ATOM 373 CG MET A 46 11.921 13.362 7.725 1.00 0.00 C ATOM 374 SD MET A 46 11.472 12.797 9.390 1.00 0.00 S ATOM 375 CE MET A 46 11.995 14.258 10.316 1.00 0.00 C ATOM 0 H MET A 46 12.285 14.659 5.549 1.00 0.00 H new ATOM 0 HA MET A 46 13.015 11.889 4.800 1.00 0.00 H new ATOM 0 HB2 MET A 46 11.754 11.365 6.985 1.00 0.00 H new ATOM 0 HB3 MET A 46 13.400 11.960 7.084 1.00 0.00 H new ATOM 0 HG2 MET A 46 12.714 14.106 7.803 1.00 0.00 H new ATOM 0 HG3 MET A 46 11.062 13.858 7.274 1.00 0.00 H new ATOM 0 HE1 MET A 46 11.799 14.105 11.377 1.00 0.00 H new ATOM 0 HE2 MET A 46 13.062 14.423 10.164 1.00 0.00 H new ATOM 0 HE3 MET A 46 11.440 15.128 9.966 1.00 0.00 H new ATOM 385 N PHE A 47 10.750 11.548 3.719 1.00 0.00 N ATOM 386 CA PHE A 47 9.438 11.345 3.069 1.00 0.00 C ATOM 387 C PHE A 47 9.219 9.926 2.507 1.00 0.00 C ATOM 388 O PHE A 47 10.156 9.157 2.292 1.00 0.00 O ATOM 389 CB PHE A 47 9.198 12.395 1.963 1.00 0.00 C ATOM 390 CG PHE A 47 10.261 13.460 1.782 1.00 0.00 C ATOM 391 CD1 PHE A 47 11.526 13.099 1.286 1.00 0.00 C ATOM 392 CD2 PHE A 47 9.996 14.799 2.123 1.00 0.00 C ATOM 393 CE1 PHE A 47 12.509 14.080 1.106 1.00 0.00 C ATOM 394 CE2 PHE A 47 10.964 15.789 1.888 1.00 0.00 C ATOM 395 CZ PHE A 47 12.220 15.431 1.369 1.00 0.00 C ATOM 0 H PHE A 47 11.499 10.981 3.321 1.00 0.00 H new ATOM 0 HA PHE A 47 8.705 11.473 3.866 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.082 11.868 1.016 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.251 12.894 2.169 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.739 12.068 1.045 1.00 0.00 H new ATOM 0 HD2 PHE A 47 9.048 15.066 2.566 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.494 13.798 0.764 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.744 16.824 2.106 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.961 16.191 1.173 1.00 0.00 H new ATOM 405 N THR A 48 7.953 9.587 2.259 1.00 0.00 N ATOM 406 CA THR A 48 7.490 8.359 1.572 1.00 0.00 C ATOM 407 C THR A 48 7.603 8.460 0.049 1.00 0.00 C ATOM 408 O THR A 48 7.711 9.556 -0.488 1.00 0.00 O ATOM 409 CB THR A 48 6.026 8.059 1.943 1.00 0.00 C ATOM 410 OG1 THR A 48 5.230 9.187 1.704 1.00 0.00 O ATOM 411 CG2 THR A 48 5.827 7.643 3.393 1.00 0.00 C ATOM 0 H THR A 48 7.176 10.185 2.542 1.00 0.00 H new ATOM 0 HA THR A 48 8.141 7.551 1.907 1.00 0.00 H new ATOM 0 HB THR A 48 5.734 7.217 1.315 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.258 9.778 2.485 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.770 7.450 3.574 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.401 6.738 3.594 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.168 8.443 4.051 1.00 0.00 H new ATOM 419 N VAL A 49 7.492 7.329 -0.667 1.00 0.00 N ATOM 420 CA VAL A 49 7.496 7.210 -2.144 1.00 0.00 C ATOM 421 C VAL A 49 6.479 8.162 -2.778 1.00 0.00 C ATOM 422 O VAL A 49 6.771 8.880 -3.736 1.00 0.00 O ATOM 423 CB VAL A 49 7.278 5.746 -2.579 1.00 0.00 C ATOM 424 CG1 VAL A 49 5.874 5.184 -2.336 1.00 0.00 C ATOM 425 CG2 VAL A 49 7.650 5.539 -4.052 1.00 0.00 C ATOM 0 H VAL A 49 7.391 6.422 -0.212 1.00 0.00 H new ATOM 0 HA VAL A 49 8.478 7.510 -2.509 1.00 0.00 H new ATOM 0 HB VAL A 49 7.947 5.185 -1.926 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.832 4.150 -2.678 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.646 5.224 -1.271 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.144 5.778 -2.886 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.485 4.497 -4.326 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.030 6.181 -4.678 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.700 5.791 -4.201 1.00 0.00 H new ATOM 435 N LYS A 50 5.303 8.229 -2.146 1.00 0.00 N ATOM 436 CA LYS A 50 4.160 9.022 -2.571 1.00 0.00 C ATOM 437 C LYS A 50 4.357 10.530 -2.353 1.00 0.00 C ATOM 438 O LYS A 50 3.882 11.332 -3.153 1.00 0.00 O ATOM 439 CB LYS A 50 2.931 8.408 -1.886 1.00 0.00 C ATOM 440 CG LYS A 50 2.818 8.681 -0.382 1.00 0.00 C ATOM 441 CD LYS A 50 1.578 8.032 0.240 1.00 0.00 C ATOM 442 CE LYS A 50 1.515 8.380 1.734 1.00 0.00 C ATOM 443 NZ LYS A 50 0.339 7.753 2.397 1.00 0.00 N ATOM 0 H LYS A 50 5.121 7.708 -1.289 1.00 0.00 H new ATOM 0 HA LYS A 50 4.021 8.977 -3.651 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.034 8.787 -2.376 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.948 7.330 -2.043 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.710 8.307 0.120 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.784 9.757 -0.213 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.678 8.384 -0.265 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.615 6.951 0.109 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.430 8.046 2.224 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.466 9.462 1.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.330 8.011 3.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.535 8.091 1.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.399 6.719 2.305 1.00 0.00 H new ATOM 457 N GLU A 51 5.129 10.915 -1.334 1.00 0.00 N ATOM 458 CA GLU A 51 5.570 12.297 -1.101 1.00 0.00 C ATOM 459 C GLU A 51 6.745 12.684 -2.013 1.00 0.00 C ATOM 460 O GLU A 51 6.685 13.726 -2.663 1.00 0.00 O ATOM 461 CB GLU A 51 5.956 12.476 0.373 1.00 0.00 C ATOM 462 CG GLU A 51 4.747 12.393 1.312 1.00 0.00 C ATOM 463 CD GLU A 51 5.198 12.324 2.784 1.00 0.00 C ATOM 464 OE1 GLU A 51 5.858 11.322 3.159 1.00 0.00 O ATOM 465 OE2 GLU A 51 4.874 13.253 3.564 1.00 0.00 O ATOM 0 H GLU A 51 5.474 10.262 -0.631 1.00 0.00 H new ATOM 0 HA GLU A 51 4.740 12.960 -1.343 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.681 11.711 0.651 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.446 13.441 0.502 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.106 13.262 1.164 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.152 11.513 1.068 1.00 0.00 H new ATOM 472 N VAL A 52 7.782 11.842 -2.145 1.00 0.00 N ATOM 473 CA VAL A 52 8.933 12.137 -3.016 1.00 0.00 C ATOM 474 C VAL A 52 8.514 12.351 -4.466 1.00 0.00 C ATOM 475 O VAL A 52 8.903 13.336 -5.093 1.00 0.00 O ATOM 476 CB VAL A 52 10.066 11.102 -2.935 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.786 11.170 -1.588 1.00 0.00 C ATOM 478 CG2 VAL A 52 9.740 9.653 -3.223 1.00 0.00 C ATOM 0 H VAL A 52 7.848 10.948 -1.658 1.00 0.00 H new ATOM 0 HA VAL A 52 9.339 13.070 -2.625 1.00 0.00 H new ATOM 0 HB VAL A 52 10.695 11.415 -3.768 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.582 10.425 -1.563 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.214 12.163 -1.454 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.076 10.970 -0.785 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.643 9.050 -3.125 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.990 9.301 -2.515 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.352 9.562 -4.237 1.00 0.00 H new ATOM 488 N MET A 53 7.653 11.472 -4.976 1.00 0.00 N ATOM 489 CA MET A 53 7.069 11.636 -6.312 1.00 0.00 C ATOM 490 C MET A 53 6.100 12.828 -6.435 1.00 0.00 C ATOM 491 O MET A 53 5.995 13.395 -7.520 1.00 0.00 O ATOM 492 CB MET A 53 6.469 10.324 -6.834 1.00 0.00 C ATOM 493 CG MET A 53 5.058 10.026 -6.314 1.00 0.00 C ATOM 494 SD MET A 53 4.374 8.442 -6.869 1.00 0.00 S ATOM 495 CE MET A 53 4.289 8.744 -8.657 1.00 0.00 C ATOM 0 H MET A 53 7.341 10.635 -4.484 1.00 0.00 H new ATOM 0 HA MET A 53 7.900 11.895 -6.968 1.00 0.00 H new ATOM 0 HB2 MET A 53 6.443 10.358 -7.923 1.00 0.00 H new ATOM 0 HB3 MET A 53 7.127 9.501 -6.556 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.076 10.038 -5.224 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.390 10.827 -6.631 1.00 0.00 H new ATOM 0 HE1 MET A 53 3.789 7.907 -9.144 1.00 0.00 H new ATOM 0 HE2 MET A 53 3.729 9.660 -8.845 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.298 8.847 -9.057 1.00 0.00 H new ATOM 505 N HIS A 54 5.449 13.286 -5.358 1.00 0.00 N ATOM 506 CA HIS A 54 4.618 14.504 -5.408 1.00 0.00 C ATOM 507 C HIS A 54 5.478 15.743 -5.676 1.00 0.00 C ATOM 508 O HIS A 54 5.109 16.597 -6.486 1.00 0.00 O ATOM 509 CB HIS A 54 3.812 14.668 -4.112 1.00 0.00 C ATOM 510 CG HIS A 54 2.938 15.899 -4.116 1.00 0.00 C ATOM 511 ND1 HIS A 54 1.683 16.005 -4.724 1.00 0.00 N ATOM 512 CD2 HIS A 54 3.266 17.104 -3.564 1.00 0.00 C ATOM 513 CE1 HIS A 54 1.284 17.274 -4.522 1.00 0.00 C ATOM 514 NE2 HIS A 54 2.215 17.954 -3.829 1.00 0.00 N ATOM 0 H HIS A 54 5.479 12.836 -4.443 1.00 0.00 H new ATOM 0 HA HIS A 54 3.914 14.398 -6.234 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.189 13.786 -3.964 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.499 14.719 -3.267 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.171 17.343 -3.026 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.348 17.688 -4.867 1.00 0.00 H new ATOM 0 HE2 HIS A 54 2.153 18.932 -3.548 1.00 0.00 H new ATOM 522 N TYR A 55 6.674 15.800 -5.082 1.00 0.00 N ATOM 523 CA TYR A 55 7.647 16.845 -5.401 1.00 0.00 C ATOM 524 C TYR A 55 8.168 16.760 -6.840 1.00 0.00 C ATOM 525 O TYR A 55 8.495 17.805 -7.387 1.00 0.00 O ATOM 526 CB TYR A 55 8.818 16.841 -4.417 1.00 0.00 C ATOM 527 CG TYR A 55 8.419 16.977 -2.963 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.671 18.085 -2.527 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.782 15.977 -2.047 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.241 18.167 -1.189 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.375 16.063 -0.705 1.00 0.00 C ATOM 532 CZ TYR A 55 7.599 17.160 -0.271 1.00 0.00 C ATOM 533 OH TYR A 55 7.227 17.279 1.034 1.00 0.00 O ATOM 0 H TYR A 55 6.990 15.134 -4.378 1.00 0.00 H new ATOM 0 HA TYR A 55 7.109 17.788 -5.306 1.00 0.00 H new ATOM 0 HB2 TYR A 55 9.377 15.914 -4.542 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.493 17.657 -4.673 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.426 18.876 -3.221 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.377 15.138 -2.375 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.637 19.002 -0.866 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.656 15.290 -0.005 1.00 0.00 H new ATOM 0 HH TYR A 55 7.549 16.503 1.538 1.00 0.00 H new ATOM 543 N LEU A 56 8.192 15.589 -7.497 1.00 0.00 N ATOM 544 CA LEU A 56 8.480 15.522 -8.942 1.00 0.00 C ATOM 545 C LEU A 56 7.372 16.217 -9.737 1.00 0.00 C ATOM 546 O LEU A 56 7.663 17.052 -10.587 1.00 0.00 O ATOM 547 CB LEU A 56 8.610 14.078 -9.455 1.00 0.00 C ATOM 548 CG LEU A 56 9.646 13.192 -8.763 1.00 0.00 C ATOM 549 CD1 LEU A 56 9.522 11.763 -9.290 1.00 0.00 C ATOM 550 CD2 LEU A 56 11.069 13.697 -8.976 1.00 0.00 C ATOM 0 H LEU A 56 8.018 14.685 -7.058 1.00 0.00 H new ATOM 0 HA LEU A 56 9.436 16.025 -9.087 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.636 13.596 -9.365 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.850 14.115 -10.518 1.00 0.00 H new ATOM 0 HG LEU A 56 9.447 13.220 -7.692 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.260 11.129 -8.798 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.521 11.384 -9.082 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.697 11.756 -10.366 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.770 13.036 -8.466 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.294 13.712 -10.042 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.162 14.705 -8.572 1.00 0.00 H new ATOM 562 N GLY A 57 6.107 15.928 -9.420 1.00 0.00 N ATOM 563 CA GLY A 57 4.962 16.572 -10.060 1.00 0.00 C ATOM 564 C GLY A 57 4.987 18.094 -9.907 1.00 0.00 C ATOM 565 O GLY A 57 4.922 18.816 -10.904 1.00 0.00 O ATOM 0 H GLY A 57 5.850 15.240 -8.712 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.950 16.316 -11.120 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.041 16.181 -9.628 1.00 0.00 H new ATOM 569 N GLN A 58 5.228 18.600 -8.689 1.00 0.00 N ATOM 570 CA GLN A 58 5.355 20.045 -8.463 1.00 0.00 C ATOM 571 C GLN A 58 6.625 20.629 -9.106 1.00 0.00 C ATOM 572 O GLN A 58 6.582 21.750 -9.609 1.00 0.00 O ATOM 573 CB GLN A 58 5.206 20.394 -6.968 1.00 0.00 C ATOM 574 CG GLN A 58 6.522 20.667 -6.215 1.00 0.00 C ATOM 575 CD GLN A 58 6.310 20.885 -4.712 1.00 0.00 C ATOM 576 OE1 GLN A 58 5.421 20.328 -4.082 1.00 0.00 O ATOM 577 NE2 GLN A 58 7.143 21.670 -4.065 1.00 0.00 N ATOM 0 H GLN A 58 5.338 18.032 -7.849 1.00 0.00 H new ATOM 0 HA GLN A 58 4.526 20.533 -8.976 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.569 21.274 -6.880 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.687 19.574 -6.472 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.202 19.828 -6.364 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.004 21.547 -6.641 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.892 22.145 -4.569 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.040 21.804 -3.059 1.00 0.00 H new ATOM 586 N TYR A 59 7.737 19.880 -9.139 1.00 0.00 N ATOM 587 CA TYR A 59 8.976 20.294 -9.796 1.00 0.00 C ATOM 588 C TYR A 59 8.736 20.495 -11.291 1.00 0.00 C ATOM 589 O TYR A 59 9.042 21.548 -11.823 1.00 0.00 O ATOM 590 CB TYR A 59 10.078 19.249 -9.594 1.00 0.00 C ATOM 591 CG TYR A 59 11.393 19.580 -10.261 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.625 19.161 -11.585 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.394 20.269 -9.552 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.891 19.337 -12.172 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.660 20.440 -10.133 1.00 0.00 C ATOM 596 CZ TYR A 59 13.923 19.943 -11.422 1.00 0.00 C ATOM 597 OH TYR A 59 15.164 20.119 -11.932 1.00 0.00 O ATOM 0 H TYR A 59 7.797 18.960 -8.704 1.00 0.00 H new ATOM 0 HA TYR A 59 9.298 21.234 -9.348 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.250 19.124 -8.525 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.725 18.290 -9.974 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.828 18.703 -12.152 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.190 20.664 -8.568 1.00 0.00 H new ATOM 0 HE1 TYR A 59 13.072 19.012 -13.186 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.436 20.956 -9.587 1.00 0.00 H new ATOM 0 HH TYR A 59 15.406 19.343 -12.479 1.00 0.00 H new ATOM 607 N ILE A 60 8.126 19.526 -11.974 1.00 0.00 N ATOM 608 CA ILE A 60 7.798 19.617 -13.404 1.00 0.00 C ATOM 609 C ILE A 60 6.840 20.792 -13.654 1.00 0.00 C ATOM 610 O ILE A 60 7.048 21.583 -14.577 1.00 0.00 O ATOM 611 CB ILE A 60 7.197 18.269 -13.855 1.00 0.00 C ATOM 612 CG1 ILE A 60 8.225 17.120 -13.762 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.654 18.347 -15.287 1.00 0.00 C ATOM 614 CD1 ILE A 60 7.514 15.776 -13.578 1.00 0.00 C ATOM 0 H ILE A 60 7.841 18.644 -11.548 1.00 0.00 H new ATOM 0 HA ILE A 60 8.695 19.811 -13.992 1.00 0.00 H new ATOM 0 HB ILE A 60 6.374 18.057 -13.172 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.834 17.095 -14.666 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.902 17.297 -12.926 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.238 17.380 -15.572 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.874 19.107 -15.340 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.463 18.609 -15.969 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.254 14.978 -13.515 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.925 15.798 -12.661 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.856 15.593 -14.427 1.00 0.00 H new ATOM 626 N MET A 61 5.837 20.950 -12.788 1.00 0.00 N ATOM 627 CA MET A 61 4.855 22.033 -12.851 1.00 0.00 C ATOM 628 C MET A 61 5.501 23.431 -12.738 1.00 0.00 C ATOM 629 O MET A 61 5.141 24.325 -13.505 1.00 0.00 O ATOM 630 CB MET A 61 3.802 21.771 -11.764 1.00 0.00 C ATOM 631 CG MET A 61 2.573 22.677 -11.881 1.00 0.00 C ATOM 632 SD MET A 61 1.588 22.406 -13.382 1.00 0.00 S ATOM 633 CE MET A 61 1.484 24.113 -13.980 1.00 0.00 C ATOM 0 H MET A 61 5.682 20.314 -12.006 1.00 0.00 H new ATOM 0 HA MET A 61 4.375 22.039 -13.830 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.484 20.730 -11.819 1.00 0.00 H new ATOM 0 HB3 MET A 61 4.258 21.913 -10.784 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.937 22.522 -11.010 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.899 23.717 -11.857 1.00 0.00 H new ATOM 0 HE1 MET A 61 0.908 24.140 -14.905 1.00 0.00 H new ATOM 0 HE2 MET A 61 0.994 24.732 -13.229 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.488 24.495 -14.166 1.00 0.00 H new ATOM 643 N VAL A 62 6.496 23.623 -11.856 1.00 0.00 N ATOM 644 CA VAL A 62 7.250 24.894 -11.746 1.00 0.00 C ATOM 645 C VAL A 62 8.305 25.052 -12.850 1.00 0.00 C ATOM 646 O VAL A 62 8.417 26.116 -13.457 1.00 0.00 O ATOM 647 CB VAL A 62 7.822 25.090 -10.324 1.00 0.00 C ATOM 648 CG1 VAL A 62 8.981 24.173 -9.930 1.00 0.00 C ATOM 649 CG2 VAL A 62 8.313 26.518 -10.105 1.00 0.00 C ATOM 0 H VAL A 62 6.804 22.907 -11.198 1.00 0.00 H new ATOM 0 HA VAL A 62 6.541 25.706 -11.910 1.00 0.00 H new ATOM 0 HB VAL A 62 6.966 24.837 -9.698 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.298 24.403 -8.913 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.657 23.134 -9.983 1.00 0.00 H new ATOM 0 HG13 VAL A 62 9.816 24.328 -10.613 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.708 26.616 -9.094 1.00 0.00 H new ATOM 0 HG22 VAL A 62 9.099 26.747 -10.825 1.00 0.00 H new ATOM 0 HG23 VAL A 62 7.484 27.213 -10.240 1.00 0.00 H new ATOM 659 N LYS A 63 9.030 23.977 -13.182 1.00 0.00 N ATOM 660 CA LYS A 63 10.045 23.919 -14.254 1.00 0.00 C ATOM 661 C LYS A 63 9.483 23.859 -15.685 1.00 0.00 C ATOM 662 O LYS A 63 10.273 23.912 -16.625 1.00 0.00 O ATOM 663 CB LYS A 63 10.968 22.710 -14.023 1.00 0.00 C ATOM 664 CG LYS A 63 11.826 22.775 -12.754 1.00 0.00 C ATOM 665 CD LYS A 63 12.752 23.994 -12.666 1.00 0.00 C ATOM 666 CE LYS A 63 13.773 23.788 -11.537 1.00 0.00 C ATOM 667 NZ LYS A 63 14.996 23.072 -12.013 1.00 0.00 N ATOM 0 H LYS A 63 8.926 23.087 -12.696 1.00 0.00 H new ATOM 0 HA LYS A 63 10.588 24.862 -14.189 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.356 21.809 -13.982 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.629 22.608 -14.884 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.167 22.774 -11.886 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.432 21.871 -12.695 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.269 24.139 -13.615 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.167 24.895 -12.480 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.057 24.756 -11.124 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.311 23.220 -10.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.820 23.389 -11.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.869 22.047 -11.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.151 23.281 -13.020 1.00 0.00 H new ATOM 681 N GLN A 64 8.158 23.722 -15.849 1.00 0.00 N ATOM 682 CA GLN A 64 7.404 23.439 -17.078 1.00 0.00 C ATOM 683 C GLN A 64 8.127 22.461 -18.007 1.00 0.00 C ATOM 684 O GLN A 64 8.449 22.768 -19.156 1.00 0.00 O ATOM 685 CB GLN A 64 6.812 24.692 -17.738 1.00 0.00 C ATOM 686 CG GLN A 64 7.876 25.714 -18.142 1.00 0.00 C ATOM 687 CD GLN A 64 7.669 27.057 -17.447 1.00 0.00 C ATOM 688 OE1 GLN A 64 7.331 28.064 -18.057 1.00 0.00 O ATOM 689 NE2 GLN A 64 7.839 27.119 -16.142 1.00 0.00 N ATOM 0 H GLN A 64 7.530 23.815 -15.050 1.00 0.00 H new ATOM 0 HA GLN A 64 6.512 22.889 -16.780 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.245 24.397 -18.621 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.109 25.161 -17.050 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.864 25.326 -17.895 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.851 25.857 -19.222 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.120 26.286 -15.624 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.689 28.000 -15.649 1.00 0.00 H new ATOM 698 N LEU A 65 8.365 21.255 -17.478 1.00 0.00 N ATOM 699 CA LEU A 65 8.991 20.161 -18.206 1.00 0.00 C ATOM 700 C LEU A 65 7.898 19.296 -18.849 1.00 0.00 C ATOM 701 O LEU A 65 7.991 18.080 -18.814 1.00 0.00 O ATOM 702 CB LEU A 65 9.980 19.356 -17.318 1.00 0.00 C ATOM 703 CG LEU A 65 11.147 20.129 -16.680 1.00 0.00 C ATOM 704 CD1 LEU A 65 12.063 19.182 -15.910 1.00 0.00 C ATOM 705 CD2 LEU A 65 11.993 20.894 -17.698 1.00 0.00 C ATOM 0 H LEU A 65 8.122 21.015 -16.517 1.00 0.00 H new ATOM 0 HA LEU A 65 9.611 20.565 -19.006 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.409 18.887 -16.517 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.399 18.552 -17.923 1.00 0.00 H new ATOM 0 HG LEU A 65 10.687 20.854 -16.009 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.882 19.748 -15.466 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.495 18.687 -15.122 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.467 18.433 -16.591 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.798 21.417 -17.182 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.417 20.194 -18.418 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.367 21.617 -18.221 1.00 0.00 H new ATOM 717 N TYR A 66 6.815 19.890 -19.359 1.00 0.00 N ATOM 718 CA TYR A 66 5.710 19.172 -20.012 1.00 0.00 C ATOM 719 C TYR A 66 5.276 19.809 -21.345 1.00 0.00 C ATOM 720 O TYR A 66 5.562 20.979 -21.610 1.00 0.00 O ATOM 721 CB TYR A 66 4.512 18.991 -19.065 1.00 0.00 C ATOM 722 CG TYR A 66 3.970 20.285 -18.498 1.00 0.00 C ATOM 723 CD1 TYR A 66 4.576 20.815 -17.349 1.00 0.00 C ATOM 724 CD2 TYR A 66 2.918 20.979 -19.125 1.00 0.00 C ATOM 725 CE1 TYR A 66 4.143 22.049 -16.826 1.00 0.00 C ATOM 726 CE2 TYR A 66 2.531 22.246 -18.647 1.00 0.00 C ATOM 727 CZ TYR A 66 3.141 22.784 -17.493 1.00 0.00 C ATOM 728 OH TYR A 66 2.786 24.015 -17.033 1.00 0.00 O ATOM 0 H TYR A 66 6.677 20.900 -19.331 1.00 0.00 H new ATOM 0 HA TYR A 66 6.100 18.184 -20.257 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.713 18.479 -19.601 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.809 18.342 -18.241 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.376 20.276 -16.864 1.00 0.00 H new ATOM 0 HD2 TYR A 66 2.409 20.541 -19.971 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.578 22.432 -15.915 1.00 0.00 H new ATOM 0 HE2 TYR A 66 1.766 22.807 -19.164 1.00 0.00 H new ATOM 0 HH TYR A 66 2.083 24.388 -17.605 1.00 0.00 H new ATOM 738 N ASP A 67 4.581 19.046 -22.197 1.00 0.00 N ATOM 739 CA ASP A 67 4.115 19.521 -23.509 1.00 0.00 C ATOM 740 C ASP A 67 2.843 20.374 -23.408 1.00 0.00 C ATOM 741 O ASP A 67 1.836 19.938 -22.854 1.00 0.00 O ATOM 742 CB ASP A 67 3.840 18.338 -24.445 1.00 0.00 C ATOM 743 CG ASP A 67 3.795 18.733 -25.938 1.00 0.00 C ATOM 744 OD1 ASP A 67 3.443 19.894 -26.264 1.00 0.00 O ATOM 745 OD2 ASP A 67 4.107 17.870 -26.792 1.00 0.00 O ATOM 0 H ASP A 67 4.324 18.079 -21.997 1.00 0.00 H new ATOM 0 HA ASP A 67 4.914 20.144 -23.911 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.612 17.583 -24.300 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.890 17.880 -24.169 1.00 0.00 H new ATOM 750 N GLN A 68 2.848 21.542 -24.051 1.00 0.00 N ATOM 751 CA GLN A 68 1.696 22.433 -24.271 1.00 0.00 C ATOM 752 C GLN A 68 0.442 21.679 -24.768 1.00 0.00 C ATOM 753 O GLN A 68 -0.677 21.968 -24.338 1.00 0.00 O ATOM 754 CB GLN A 68 2.042 23.499 -25.339 1.00 0.00 C ATOM 755 CG GLN A 68 3.503 23.989 -25.423 1.00 0.00 C ATOM 756 CD GLN A 68 4.156 23.717 -26.784 1.00 0.00 C ATOM 757 OE1 GLN A 68 4.528 24.632 -27.508 1.00 0.00 O ATOM 758 NE2 GLN A 68 4.336 22.478 -27.204 1.00 0.00 N ATOM 0 H GLN A 68 3.704 21.918 -24.458 1.00 0.00 H new ATOM 0 HA GLN A 68 1.478 22.886 -23.304 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.768 23.097 -26.314 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.408 24.368 -25.162 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.532 25.060 -25.221 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.088 23.502 -24.643 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.037 21.694 -26.624 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.774 22.305 -28.109 1.00 0.00 H new ATOM 767 N GLN A 69 0.640 20.708 -25.670 1.00 0.00 N ATOM 768 CA GLN A 69 -0.432 19.901 -26.284 1.00 0.00 C ATOM 769 C GLN A 69 -0.802 18.633 -25.485 1.00 0.00 C ATOM 770 O GLN A 69 -1.912 18.120 -25.633 1.00 0.00 O ATOM 771 CB GLN A 69 -0.044 19.532 -27.730 1.00 0.00 C ATOM 772 CG GLN A 69 -0.445 20.594 -28.768 1.00 0.00 C ATOM 773 CD GLN A 69 0.268 21.934 -28.602 1.00 0.00 C ATOM 774 OE1 GLN A 69 -0.302 22.927 -28.166 1.00 0.00 O ATOM 775 NE2 GLN A 69 1.536 22.024 -28.948 1.00 0.00 N ATOM 0 H GLN A 69 1.570 20.453 -26.003 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.327 20.524 -26.279 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.034 19.377 -27.779 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.514 18.584 -27.992 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.238 20.207 -29.766 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.521 20.758 -28.706 1.00 0.00 H new ATOM 0 HE21 GLN A 69 2.024 21.206 -29.313 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.029 22.912 -28.851 1.00 0.00 H new ATOM 784 N GLU A 70 0.094 18.131 -24.630 1.00 0.00 N ATOM 785 CA GLU A 70 -0.113 16.951 -23.775 1.00 0.00 C ATOM 786 C GLU A 70 0.512 17.191 -22.394 1.00 0.00 C ATOM 787 O GLU A 70 1.657 16.837 -22.127 1.00 0.00 O ATOM 788 CB GLU A 70 0.454 15.676 -24.430 1.00 0.00 C ATOM 789 CG GLU A 70 -0.432 15.146 -25.564 1.00 0.00 C ATOM 790 CD GLU A 70 -0.085 13.682 -25.893 1.00 0.00 C ATOM 791 OE1 GLU A 70 -0.594 12.770 -25.193 1.00 0.00 O ATOM 792 OE2 GLU A 70 0.682 13.431 -26.855 1.00 0.00 O ATOM 0 H GLU A 70 1.017 18.547 -24.507 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.185 16.798 -23.651 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.450 15.886 -24.821 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.566 14.902 -23.671 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.481 15.220 -25.276 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.301 15.764 -26.452 1.00 0.00 H new ATOM 799 N GLN A 71 -0.252 17.815 -21.496 1.00 0.00 N ATOM 800 CA GLN A 71 0.236 18.267 -20.185 1.00 0.00 C ATOM 801 C GLN A 71 0.724 17.118 -19.279 1.00 0.00 C ATOM 802 O GLN A 71 1.616 17.297 -18.452 1.00 0.00 O ATOM 803 CB GLN A 71 -0.914 18.995 -19.493 1.00 0.00 C ATOM 804 CG GLN A 71 -1.480 20.224 -20.226 1.00 0.00 C ATOM 805 CD GLN A 71 -0.580 21.450 -20.290 1.00 0.00 C ATOM 806 OE1 GLN A 71 -0.748 22.407 -19.544 1.00 0.00 O ATOM 807 NE2 GLN A 71 0.373 21.514 -21.192 1.00 0.00 N ATOM 0 H GLN A 71 -1.237 18.025 -21.657 1.00 0.00 H new ATOM 0 HA GLN A 71 1.098 18.913 -20.352 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.726 18.284 -19.339 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.575 19.311 -18.506 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.728 19.929 -21.246 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.413 20.511 -19.741 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.531 20.729 -21.824 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.955 22.349 -21.261 1.00 0.00 H new ATOM 816 N HIS A 72 0.146 15.928 -19.452 1.00 0.00 N ATOM 817 CA HIS A 72 0.517 14.658 -18.827 1.00 0.00 C ATOM 818 C HIS A 72 1.760 13.986 -19.459 1.00 0.00 C ATOM 819 O HIS A 72 2.233 12.978 -18.940 1.00 0.00 O ATOM 820 CB HIS A 72 -0.734 13.766 -18.918 1.00 0.00 C ATOM 821 CG HIS A 72 -1.256 13.663 -20.324 1.00 0.00 C ATOM 822 ND1 HIS A 72 -2.117 14.583 -20.920 1.00 0.00 N ATOM 823 CD2 HIS A 72 -0.789 12.803 -21.269 1.00 0.00 C ATOM 824 CE1 HIS A 72 -2.155 14.259 -22.219 1.00 0.00 C ATOM 825 NE2 HIS A 72 -1.371 13.190 -22.460 1.00 0.00 N ATOM 0 H HIS A 72 -0.652 15.819 -20.078 1.00 0.00 H new ATOM 0 HA HIS A 72 0.821 14.826 -17.794 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.495 12.769 -18.547 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.513 14.169 -18.271 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.102 11.983 -21.118 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.733 14.781 -22.968 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -1.231 12.743 -23.366 1.00 0.00 H new ATOM 833 N MET A 73 2.306 14.514 -20.560 1.00 0.00 N ATOM 834 CA MET A 73 3.558 14.070 -21.184 1.00 0.00 C ATOM 835 C MET A 73 4.713 14.990 -20.759 1.00 0.00 C ATOM 836 O MET A 73 4.640 16.212 -20.911 1.00 0.00 O ATOM 837 CB MET A 73 3.390 14.021 -22.712 1.00 0.00 C ATOM 838 CG MET A 73 4.642 13.519 -23.435 1.00 0.00 C ATOM 839 SD MET A 73 5.147 11.833 -23.006 1.00 0.00 S ATOM 840 CE MET A 73 6.670 11.745 -23.979 1.00 0.00 C ATOM 0 H MET A 73 1.873 15.291 -21.059 1.00 0.00 H new ATOM 0 HA MET A 73 3.802 13.063 -20.846 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.550 13.372 -22.959 1.00 0.00 H new ATOM 0 HB3 MET A 73 3.141 15.018 -23.077 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.467 13.568 -24.510 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.467 14.197 -23.215 1.00 0.00 H new ATOM 0 HE1 MET A 73 7.265 10.894 -23.647 1.00 0.00 H new ATOM 0 HE2 MET A 73 6.422 11.625 -25.034 1.00 0.00 H new ATOM 0 HE3 MET A 73 7.242 12.663 -23.843 1.00 0.00 H new ATOM 850 N VAL A 74 5.786 14.401 -20.229 1.00 0.00 N ATOM 851 CA VAL A 74 6.897 15.103 -19.566 1.00 0.00 C ATOM 852 C VAL A 74 8.161 15.042 -20.446 1.00 0.00 C ATOM 853 O VAL A 74 8.489 13.996 -21.010 1.00 0.00 O ATOM 854 CB VAL A 74 7.161 14.477 -18.177 1.00 0.00 C ATOM 855 CG1 VAL A 74 8.171 15.300 -17.375 1.00 0.00 C ATOM 856 CG2 VAL A 74 5.884 14.377 -17.325 1.00 0.00 C ATOM 0 H VAL A 74 5.914 13.389 -20.248 1.00 0.00 H new ATOM 0 HA VAL A 74 6.629 16.150 -19.426 1.00 0.00 H new ATOM 0 HB VAL A 74 7.548 13.479 -18.381 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.333 14.832 -16.404 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.115 15.346 -17.918 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.785 16.309 -17.231 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.124 13.931 -16.360 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.470 15.374 -17.171 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.151 13.756 -17.840 1.00 0.00 H new ATOM 866 N TYR A 75 8.886 16.158 -20.535 1.00 0.00 N ATOM 867 CA TYR A 75 10.099 16.392 -21.323 1.00 0.00 C ATOM 868 C TYR A 75 11.201 17.035 -20.451 1.00 0.00 C ATOM 869 O TYR A 75 11.281 18.257 -20.316 1.00 0.00 O ATOM 870 CB TYR A 75 9.742 17.263 -22.537 1.00 0.00 C ATOM 871 CG TYR A 75 9.063 16.465 -23.629 1.00 0.00 C ATOM 872 CD1 TYR A 75 9.820 15.505 -24.324 1.00 0.00 C ATOM 873 CD2 TYR A 75 7.695 16.633 -23.918 1.00 0.00 C ATOM 874 CE1 TYR A 75 9.211 14.695 -25.295 1.00 0.00 C ATOM 875 CE2 TYR A 75 7.088 15.841 -24.914 1.00 0.00 C ATOM 876 CZ TYR A 75 7.844 14.866 -25.605 1.00 0.00 C ATOM 877 OH TYR A 75 7.269 14.091 -26.566 1.00 0.00 O ATOM 0 H TYR A 75 8.618 16.993 -20.014 1.00 0.00 H new ATOM 0 HA TYR A 75 10.499 15.444 -21.682 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.087 18.074 -22.220 1.00 0.00 H new ATOM 0 HB3 TYR A 75 10.648 17.721 -22.933 1.00 0.00 H new ATOM 0 HD1 TYR A 75 10.872 15.391 -24.110 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.113 17.366 -23.379 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.789 13.939 -25.806 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.043 15.979 -25.150 1.00 0.00 H new ATOM 0 HH TYR A 75 6.324 14.332 -26.658 1.00 0.00 H new ATOM 887 N CYS A 76 12.060 16.197 -19.865 1.00 0.00 N ATOM 888 CA CYS A 76 13.157 16.540 -18.950 1.00 0.00 C ATOM 889 C CYS A 76 14.550 16.628 -19.605 1.00 0.00 C ATOM 890 O CYS A 76 15.556 16.624 -18.893 1.00 0.00 O ATOM 891 CB CYS A 76 13.162 15.541 -17.779 1.00 0.00 C ATOM 892 SG CYS A 76 11.643 15.687 -16.799 1.00 0.00 S ATOM 0 H CYS A 76 12.005 15.191 -20.027 1.00 0.00 H new ATOM 0 HA CYS A 76 12.961 17.553 -18.598 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.256 14.525 -18.163 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.029 15.723 -17.144 1.00 0.00 H new ATOM 0 HG CYS A 76 11.674 14.832 -15.821 1.00 0.00 H new ATOM 898 N GLY A 77 14.647 16.675 -20.937 1.00 0.00 N ATOM 899 CA GLY A 77 15.934 16.704 -21.648 1.00 0.00 C ATOM 900 C GLY A 77 16.849 17.850 -21.184 1.00 0.00 C ATOM 901 O GLY A 77 16.472 19.023 -21.246 1.00 0.00 O ATOM 0 H GLY A 77 13.836 16.694 -21.556 1.00 0.00 H new ATOM 0 HA2 GLY A 77 16.447 15.754 -21.499 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.750 16.803 -22.718 1.00 0.00 H new ATOM 905 N GLY A 78 18.047 17.502 -20.700 1.00 0.00 N ATOM 906 CA GLY A 78 19.043 18.438 -20.156 1.00 0.00 C ATOM 907 C GLY A 78 18.834 18.868 -18.691 1.00 0.00 C ATOM 908 O GLY A 78 19.641 19.645 -18.173 1.00 0.00 O ATOM 0 H GLY A 78 18.362 16.532 -20.674 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.028 17.980 -20.243 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.051 19.332 -20.779 1.00 0.00 H new ATOM 912 N ASP A 79 17.793 18.383 -18.004 1.00 0.00 N ATOM 913 CA ASP A 79 17.525 18.675 -16.584 1.00 0.00 C ATOM 914 C ASP A 79 18.207 17.670 -15.630 1.00 0.00 C ATOM 915 O ASP A 79 18.508 16.540 -16.025 1.00 0.00 O ATOM 916 CB ASP A 79 16.008 18.707 -16.351 1.00 0.00 C ATOM 917 CG ASP A 79 15.674 19.414 -15.039 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.614 20.664 -15.008 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.527 18.707 -14.021 1.00 0.00 O ATOM 0 H ASP A 79 17.099 17.765 -18.424 1.00 0.00 H new ATOM 0 HA ASP A 79 17.955 19.650 -16.356 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.519 19.219 -17.180 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.617 17.690 -16.330 1.00 0.00 H new ATOM 924 N LEU A 80 18.388 18.032 -14.350 1.00 0.00 N ATOM 925 CA LEU A 80 18.839 17.096 -13.311 1.00 0.00 C ATOM 926 C LEU A 80 17.881 15.913 -13.180 1.00 0.00 C ATOM 927 O LEU A 80 18.321 14.764 -13.120 1.00 0.00 O ATOM 928 CB LEU A 80 18.895 17.807 -11.951 1.00 0.00 C ATOM 929 CG LEU A 80 19.687 17.049 -10.866 1.00 0.00 C ATOM 930 CD1 LEU A 80 21.121 16.700 -11.265 1.00 0.00 C ATOM 931 CD2 LEU A 80 19.773 17.921 -9.615 1.00 0.00 C ATOM 0 H LEU A 80 18.226 18.979 -14.008 1.00 0.00 H new ATOM 0 HA LEU A 80 19.826 16.738 -13.602 1.00 0.00 H new ATOM 0 HB2 LEU A 80 19.342 18.792 -12.088 1.00 0.00 H new ATOM 0 HB3 LEU A 80 17.877 17.966 -11.596 1.00 0.00 H new ATOM 0 HG LEU A 80 19.149 16.115 -10.703 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.607 16.169 -10.447 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.108 16.067 -12.152 1.00 0.00 H new ATOM 0 HD13 LEU A 80 21.672 17.616 -11.481 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.331 17.394 -8.842 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.281 18.855 -9.857 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.768 18.138 -9.253 1.00 0.00 H new ATOM 943 N LEU A 81 16.570 16.193 -13.172 1.00 0.00 N ATOM 944 CA LEU A 81 15.563 15.143 -13.178 1.00 0.00 C ATOM 945 C LEU A 81 15.706 14.202 -14.397 1.00 0.00 C ATOM 946 O LEU A 81 15.589 12.986 -14.258 1.00 0.00 O ATOM 947 CB LEU A 81 14.167 15.790 -13.065 1.00 0.00 C ATOM 948 CG LEU A 81 12.977 14.811 -13.119 1.00 0.00 C ATOM 949 CD1 LEU A 81 13.086 13.651 -12.126 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.681 15.568 -12.829 1.00 0.00 C ATOM 0 H LEU A 81 16.191 17.140 -13.161 1.00 0.00 H new ATOM 0 HA LEU A 81 15.709 14.495 -12.314 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.117 16.344 -12.128 1.00 0.00 H new ATOM 0 HB3 LEU A 81 14.055 16.516 -13.871 1.00 0.00 H new ATOM 0 HG LEU A 81 12.983 14.383 -14.122 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.213 13.006 -12.223 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.988 13.076 -12.336 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.135 14.045 -11.111 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.839 14.876 -12.867 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.736 16.018 -11.838 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.542 16.350 -13.575 1.00 0.00 H new ATOM 962 N GLY A 82 16.034 14.739 -15.577 1.00 0.00 N ATOM 963 CA GLY A 82 16.311 13.946 -16.783 1.00 0.00 C ATOM 964 C GLY A 82 17.561 13.067 -16.658 1.00 0.00 C ATOM 965 O GLY A 82 17.539 11.897 -17.041 1.00 0.00 O ATOM 0 H GLY A 82 16.116 15.745 -15.725 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.450 13.313 -16.998 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.432 14.619 -17.632 1.00 0.00 H new ATOM 969 N GLU A 83 18.633 13.583 -16.051 1.00 0.00 N ATOM 970 CA GLU A 83 19.866 12.824 -15.801 1.00 0.00 C ATOM 971 C GLU A 83 19.636 11.678 -14.799 1.00 0.00 C ATOM 972 O GLU A 83 20.141 10.571 -15.000 1.00 0.00 O ATOM 973 CB GLU A 83 21.012 13.786 -15.413 1.00 0.00 C ATOM 974 CG GLU A 83 21.650 13.587 -14.030 1.00 0.00 C ATOM 975 CD GLU A 83 22.927 14.439 -13.859 1.00 0.00 C ATOM 976 OE1 GLU A 83 22.930 15.648 -14.198 1.00 0.00 O ATOM 977 OE2 GLU A 83 23.954 13.898 -13.378 1.00 0.00 O ATOM 0 H GLU A 83 18.672 14.546 -15.716 1.00 0.00 H new ATOM 0 HA GLU A 83 20.177 12.328 -16.721 1.00 0.00 H new ATOM 0 HB2 GLU A 83 21.797 13.698 -16.164 1.00 0.00 H new ATOM 0 HB3 GLU A 83 20.631 14.806 -15.467 1.00 0.00 H new ATOM 0 HG2 GLU A 83 20.930 13.852 -13.256 1.00 0.00 H new ATOM 0 HG3 GLU A 83 21.894 12.534 -13.891 1.00 0.00 H new ATOM 984 N LEU A 84 18.818 11.912 -13.765 1.00 0.00 N ATOM 985 CA LEU A 84 18.379 10.890 -12.819 1.00 0.00 C ATOM 986 C LEU A 84 17.537 9.790 -13.493 1.00 0.00 C ATOM 987 O LEU A 84 17.764 8.600 -13.269 1.00 0.00 O ATOM 988 CB LEU A 84 17.606 11.598 -11.694 1.00 0.00 C ATOM 989 CG LEU A 84 16.912 10.637 -10.718 1.00 0.00 C ATOM 990 CD1 LEU A 84 17.916 9.736 -10.005 1.00 0.00 C ATOM 991 CD2 LEU A 84 16.158 11.451 -9.679 1.00 0.00 C ATOM 0 H LEU A 84 18.438 12.837 -13.563 1.00 0.00 H new ATOM 0 HA LEU A 84 19.247 10.373 -12.409 1.00 0.00 H new ATOM 0 HB2 LEU A 84 18.295 12.232 -11.136 1.00 0.00 H new ATOM 0 HB3 LEU A 84 16.857 12.254 -12.138 1.00 0.00 H new ATOM 0 HG LEU A 84 16.232 10.005 -11.289 1.00 0.00 H new ATOM 0 HD11 LEU A 84 17.387 9.070 -9.323 1.00 0.00 H new ATOM 0 HD12 LEU A 84 18.460 9.144 -10.741 1.00 0.00 H new ATOM 0 HD13 LEU A 84 18.619 10.349 -9.441 1.00 0.00 H new ATOM 0 HD21 LEU A 84 15.661 10.778 -8.980 1.00 0.00 H new ATOM 0 HD22 LEU A 84 16.858 12.086 -9.136 1.00 0.00 H new ATOM 0 HD23 LEU A 84 15.413 12.074 -10.175 1.00 0.00 H new ATOM 1003 N LEU A 85 16.581 10.190 -14.334 1.00 0.00 N ATOM 1004 CA LEU A 85 15.763 9.280 -15.147 1.00 0.00 C ATOM 1005 C LEU A 85 16.613 8.493 -16.168 1.00 0.00 C ATOM 1006 O LEU A 85 16.267 7.360 -16.506 1.00 0.00 O ATOM 1007 CB LEU A 85 14.662 10.112 -15.842 1.00 0.00 C ATOM 1008 CG LEU A 85 13.453 10.378 -14.932 1.00 0.00 C ATOM 1009 CD1 LEU A 85 12.674 11.581 -15.446 1.00 0.00 C ATOM 1010 CD2 LEU A 85 12.500 9.179 -14.888 1.00 0.00 C ATOM 0 H LEU A 85 16.347 11.173 -14.474 1.00 0.00 H new ATOM 0 HA LEU A 85 15.306 8.530 -14.502 1.00 0.00 H new ATOM 0 HB2 LEU A 85 15.083 11.064 -16.167 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.328 9.588 -16.738 1.00 0.00 H new ATOM 0 HG LEU A 85 13.839 10.562 -13.929 1.00 0.00 H new ATOM 0 HD11 LEU A 85 11.818 11.765 -14.797 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.321 12.458 -15.451 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.325 11.382 -16.459 1.00 0.00 H new ATOM 0 HD21 LEU A 85 11.658 9.407 -14.234 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.133 8.969 -15.893 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.030 8.307 -14.506 1.00 0.00 H new ATOM 1022 N GLY A 86 17.713 9.079 -16.657 1.00 0.00 N ATOM 1023 CA GLY A 86 18.554 8.525 -17.731 1.00 0.00 C ATOM 1024 C GLY A 86 17.923 8.658 -19.127 1.00 0.00 C ATOM 1025 O GLY A 86 18.341 7.983 -20.072 1.00 0.00 O ATOM 0 H GLY A 86 18.054 9.975 -16.309 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.519 9.032 -17.726 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.747 7.472 -17.526 1.00 0.00 H new ATOM 1029 N ARG A 87 16.882 9.495 -19.236 1.00 0.00 N ATOM 1030 CA ARG A 87 15.998 9.689 -20.396 1.00 0.00 C ATOM 1031 C ARG A 87 15.363 11.076 -20.351 1.00 0.00 C ATOM 1032 O ARG A 87 15.043 11.603 -19.287 1.00 0.00 O ATOM 1033 CB ARG A 87 14.946 8.557 -20.467 1.00 0.00 C ATOM 1034 CG ARG A 87 14.095 8.448 -19.195 1.00 0.00 C ATOM 1035 CD ARG A 87 13.200 7.215 -19.126 1.00 0.00 C ATOM 1036 NE ARG A 87 12.175 7.236 -20.183 1.00 0.00 N ATOM 1037 CZ ARG A 87 11.728 6.247 -20.932 1.00 0.00 C ATOM 1038 NH1 ARG A 87 12.137 5.018 -20.798 1.00 0.00 N ATOM 1039 NH2 ARG A 87 10.838 6.504 -21.845 1.00 0.00 N ATOM 0 H ARG A 87 16.615 10.099 -18.459 1.00 0.00 H new ATOM 0 HA ARG A 87 16.586 9.635 -21.312 1.00 0.00 H new ATOM 0 HB2 ARG A 87 14.292 8.730 -21.321 1.00 0.00 H new ATOM 0 HB3 ARG A 87 15.453 7.608 -20.641 1.00 0.00 H new ATOM 0 HG2 ARG A 87 14.759 8.446 -18.330 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.470 9.338 -19.116 1.00 0.00 H new ATOM 0 HD2 ARG A 87 13.808 6.316 -19.225 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.717 7.168 -18.150 1.00 0.00 H new ATOM 0 HE ARG A 87 11.750 8.146 -20.361 1.00 0.00 H new ATOM 0 HH11 ARG A 87 12.833 4.787 -20.089 1.00 0.00 H new ATOM 0 HH12 ARG A 87 11.761 4.287 -21.402 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.498 7.457 -21.972 1.00 0.00 H new ATOM 0 HH22 ARG A 87 10.480 5.752 -22.434 1.00 0.00 H new ATOM 1053 N GLN A 88 15.154 11.640 -21.534 1.00 0.00 N ATOM 1054 CA GLN A 88 14.564 12.968 -21.736 1.00 0.00 C ATOM 1055 C GLN A 88 13.047 13.006 -21.574 1.00 0.00 C ATOM 1056 O GLN A 88 12.485 14.091 -21.511 1.00 0.00 O ATOM 1057 CB GLN A 88 14.960 13.488 -23.124 1.00 0.00 C ATOM 1058 CG GLN A 88 14.429 12.667 -24.315 1.00 0.00 C ATOM 1059 CD GLN A 88 14.858 13.271 -25.652 1.00 0.00 C ATOM 1060 OE1 GLN A 88 15.827 12.853 -26.274 1.00 0.00 O ATOM 1061 NE2 GLN A 88 14.172 14.284 -26.142 1.00 0.00 N ATOM 0 H GLN A 88 15.396 11.176 -22.410 1.00 0.00 H new ATOM 0 HA GLN A 88 14.961 13.611 -20.951 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.604 14.513 -23.224 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.048 13.521 -23.184 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.795 11.643 -24.244 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.341 12.620 -24.269 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.363 14.644 -25.636 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.451 14.708 -27.027 1.00 0.00 H new ATOM 1070 N SER A 89 12.368 11.861 -21.551 1.00 0.00 N ATOM 1071 CA SER A 89 10.892 11.846 -21.508 1.00 0.00 C ATOM 1072 C SER A 89 10.237 10.580 -20.954 1.00 0.00 C ATOM 1073 O SER A 89 10.770 9.474 -21.041 1.00 0.00 O ATOM 1074 CB SER A 89 10.331 12.126 -22.911 1.00 0.00 C ATOM 1075 OG SER A 89 10.761 11.141 -23.842 1.00 0.00 O ATOM 0 H SER A 89 12.802 10.938 -21.561 1.00 0.00 H new ATOM 0 HA SER A 89 10.638 12.629 -20.794 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.242 12.144 -22.873 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.655 13.112 -23.245 1.00 0.00 H new ATOM 0 HG SER A 89 10.389 11.342 -24.726 1.00 0.00 H new ATOM 1081 N PHE A 90 9.048 10.770 -20.381 1.00 0.00 N ATOM 1082 CA PHE A 90 8.127 9.761 -19.844 1.00 0.00 C ATOM 1083 C PHE A 90 6.713 10.376 -19.773 1.00 0.00 C ATOM 1084 O PHE A 90 6.547 11.586 -19.945 1.00 0.00 O ATOM 1085 CB PHE A 90 8.596 9.287 -18.455 1.00 0.00 C ATOM 1086 CG PHE A 90 8.579 10.353 -17.377 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.606 11.311 -17.331 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.534 10.405 -16.434 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.590 12.318 -16.355 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.526 11.406 -15.445 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.561 12.360 -15.394 1.00 0.00 C ATOM 0 H PHE A 90 8.671 11.711 -20.270 1.00 0.00 H new ATOM 0 HA PHE A 90 8.109 8.888 -20.497 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.962 8.459 -18.137 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.610 8.897 -18.544 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.411 11.272 -18.050 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.738 9.676 -16.470 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.370 13.065 -16.340 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.724 11.443 -14.723 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.566 13.118 -14.624 1.00 0.00 H new ATOM 1101 N SER A 91 5.689 9.565 -19.504 1.00 0.00 N ATOM 1102 CA SER A 91 4.298 10.024 -19.412 1.00 0.00 C ATOM 1103 C SER A 91 3.664 9.647 -18.078 1.00 0.00 C ATOM 1104 O SER A 91 3.935 8.590 -17.515 1.00 0.00 O ATOM 1105 CB SER A 91 3.485 9.430 -20.566 1.00 0.00 C ATOM 1106 OG SER A 91 2.137 9.863 -20.484 1.00 0.00 O ATOM 0 H SER A 91 5.800 8.564 -19.342 1.00 0.00 H new ATOM 0 HA SER A 91 4.297 11.112 -19.480 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.916 9.735 -21.520 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.529 8.341 -20.530 1.00 0.00 H new ATOM 0 HG SER A 91 1.625 9.480 -21.226 1.00 0.00 H new ATOM 1112 N VAL A 92 2.738 10.478 -17.608 1.00 0.00 N ATOM 1113 CA VAL A 92 1.835 10.191 -16.480 1.00 0.00 C ATOM 1114 C VAL A 92 0.987 8.936 -16.773 1.00 0.00 C ATOM 1115 O VAL A 92 0.565 8.238 -15.849 1.00 0.00 O ATOM 1116 CB VAL A 92 0.957 11.437 -16.280 1.00 0.00 C ATOM 1117 CG1 VAL A 92 -0.314 11.278 -15.451 1.00 0.00 C ATOM 1118 CG2 VAL A 92 1.760 12.624 -15.733 1.00 0.00 C ATOM 0 H VAL A 92 2.585 11.403 -18.010 1.00 0.00 H new ATOM 0 HA VAL A 92 2.395 9.979 -15.569 1.00 0.00 H new ATOM 0 HB VAL A 92 0.611 11.623 -17.297 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.833 12.235 -15.393 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.965 10.540 -15.920 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.054 10.945 -14.446 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.100 13.482 -15.607 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.195 12.356 -14.770 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.556 12.878 -16.433 1.00 0.00 H new ATOM 1128 N LYS A 93 0.783 8.615 -18.063 1.00 0.00 N ATOM 1129 CA LYS A 93 0.066 7.425 -18.563 1.00 0.00 C ATOM 1130 C LYS A 93 0.949 6.162 -18.647 1.00 0.00 C ATOM 1131 O LYS A 93 0.430 5.059 -18.819 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.559 7.744 -19.937 1.00 0.00 C ATOM 1133 CG LYS A 93 -1.337 9.073 -20.030 1.00 0.00 C ATOM 1134 CD LYS A 93 -2.552 9.171 -19.090 1.00 0.00 C ATOM 1135 CE LYS A 93 -3.181 10.577 -19.068 1.00 0.00 C ATOM 1136 NZ LYS A 93 -3.743 10.997 -20.386 1.00 0.00 N ATOM 0 H LYS A 93 1.129 9.204 -18.821 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.714 7.193 -17.838 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.236 7.758 -20.682 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.233 6.931 -20.206 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.655 9.894 -19.808 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.677 9.209 -21.057 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -3.305 8.447 -19.401 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.246 8.899 -18.080 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.973 10.601 -18.320 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -2.427 11.299 -18.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.150 11.950 -20.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -2.986 11.005 -21.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -4.485 10.328 -20.676 1.00 0.00 H new ATOM 1150 N ASP A 94 2.270 6.317 -18.521 1.00 0.00 N ATOM 1151 CA ASP A 94 3.290 5.253 -18.528 1.00 0.00 C ATOM 1152 C ASP A 94 4.446 5.643 -17.569 1.00 0.00 C ATOM 1153 O ASP A 94 5.553 5.973 -18.013 1.00 0.00 O ATOM 1154 CB ASP A 94 3.756 5.025 -19.978 1.00 0.00 C ATOM 1155 CG ASP A 94 4.774 3.877 -20.106 1.00 0.00 C ATOM 1156 OD1 ASP A 94 4.633 2.850 -19.398 1.00 0.00 O ATOM 1157 OD2 ASP A 94 5.696 3.975 -20.953 1.00 0.00 O ATOM 0 H ASP A 94 2.685 7.241 -18.404 1.00 0.00 H new ATOM 0 HA ASP A 94 2.884 4.310 -18.163 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.890 4.807 -20.603 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.202 5.944 -20.360 1.00 0.00 H new ATOM 1162 N PRO A 95 4.191 5.655 -16.242 1.00 0.00 N ATOM 1163 CA PRO A 95 5.080 6.239 -15.230 1.00 0.00 C ATOM 1164 C PRO A 95 6.282 5.380 -14.800 1.00 0.00 C ATOM 1165 O PRO A 95 7.089 5.823 -13.979 1.00 0.00 O ATOM 1166 CB PRO A 95 4.138 6.519 -14.057 1.00 0.00 C ATOM 1167 CG PRO A 95 3.180 5.334 -14.102 1.00 0.00 C ATOM 1168 CD PRO A 95 2.962 5.184 -15.607 1.00 0.00 C ATOM 0 HA PRO A 95 5.580 7.118 -15.636 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.675 6.569 -13.110 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.614 7.467 -14.177 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.613 4.438 -13.658 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.250 5.536 -13.570 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.760 4.146 -15.870 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.104 5.769 -15.937 1.00 0.00 H new ATOM 1176 N SER A 96 6.425 4.163 -15.333 1.00 0.00 N ATOM 1177 CA SER A 96 7.400 3.143 -14.909 1.00 0.00 C ATOM 1178 C SER A 96 8.842 3.622 -14.634 1.00 0.00 C ATOM 1179 O SER A 96 9.386 3.215 -13.601 1.00 0.00 O ATOM 1180 CB SER A 96 7.433 2.005 -15.938 1.00 0.00 C ATOM 1181 OG SER A 96 6.132 1.453 -16.093 1.00 0.00 O ATOM 0 H SER A 96 5.841 3.844 -16.106 1.00 0.00 H new ATOM 0 HA SER A 96 7.034 2.817 -13.935 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.795 2.380 -16.896 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.129 1.231 -15.615 1.00 0.00 H new ATOM 0 HG SER A 96 6.160 0.729 -16.752 1.00 0.00 H new ATOM 1187 N PRO A 97 9.494 4.482 -15.455 1.00 0.00 N ATOM 1188 CA PRO A 97 10.894 4.843 -15.205 1.00 0.00 C ATOM 1189 C PRO A 97 11.115 5.701 -13.949 1.00 0.00 C ATOM 1190 O PRO A 97 12.228 5.706 -13.426 1.00 0.00 O ATOM 1191 CB PRO A 97 11.373 5.553 -16.471 1.00 0.00 C ATOM 1192 CG PRO A 97 10.094 6.141 -17.057 1.00 0.00 C ATOM 1193 CD PRO A 97 9.056 5.074 -16.721 1.00 0.00 C ATOM 0 HA PRO A 97 11.470 3.942 -14.994 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.104 6.329 -16.243 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.850 4.860 -17.164 1.00 0.00 H new ATOM 0 HG2 PRO A 97 9.847 7.103 -16.608 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.177 6.302 -18.132 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.062 5.511 -16.626 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.000 4.321 -17.507 1.00 0.00 H new ATOM 1201 N LEU A 98 10.090 6.385 -13.414 1.00 0.00 N ATOM 1202 CA LEU A 98 10.217 7.133 -12.157 1.00 0.00 C ATOM 1203 C LEU A 98 10.465 6.157 -10.984 1.00 0.00 C ATOM 1204 O LEU A 98 11.417 6.280 -10.206 1.00 0.00 O ATOM 1205 CB LEU A 98 9.010 8.095 -12.009 1.00 0.00 C ATOM 1206 CG LEU A 98 7.758 7.624 -11.243 1.00 0.00 C ATOM 1207 CD1 LEU A 98 7.895 7.774 -9.723 1.00 0.00 C ATOM 1208 CD2 LEU A 98 6.549 8.456 -11.667 1.00 0.00 C ATOM 0 H LEU A 98 9.163 6.434 -13.836 1.00 0.00 H new ATOM 0 HA LEU A 98 11.094 7.781 -12.155 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.371 9.000 -11.521 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.692 8.379 -13.012 1.00 0.00 H new ATOM 0 HG LEU A 98 7.635 6.568 -11.484 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.982 7.426 -9.239 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.740 7.180 -9.373 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.060 8.822 -9.474 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.667 8.119 -11.123 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.734 9.507 -11.444 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.383 8.337 -12.738 1.00 0.00 H new ATOM 1220 N TYR A 99 9.657 5.099 -10.918 1.00 0.00 N ATOM 1221 CA TYR A 99 9.791 4.082 -9.888 1.00 0.00 C ATOM 1222 C TYR A 99 11.138 3.365 -10.015 1.00 0.00 C ATOM 1223 O TYR A 99 11.794 3.141 -9.005 1.00 0.00 O ATOM 1224 CB TYR A 99 8.606 3.114 -9.969 1.00 0.00 C ATOM 1225 CG TYR A 99 7.255 3.759 -9.707 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.770 3.876 -8.389 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.483 4.245 -10.780 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.500 4.436 -8.147 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.229 4.834 -10.539 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.717 4.902 -9.227 1.00 0.00 C ATOM 1231 OH TYR A 99 3.466 5.397 -9.016 1.00 0.00 O ATOM 0 H TYR A 99 8.896 4.928 -11.576 1.00 0.00 H new ATOM 0 HA TYR A 99 9.775 4.549 -8.903 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.592 2.657 -10.958 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.758 2.310 -9.249 1.00 0.00 H new ATOM 0 HD1 TYR A 99 7.374 3.535 -7.561 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.855 4.165 -11.791 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.125 4.509 -7.137 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.656 5.236 -11.362 1.00 0.00 H new ATOM 0 HH TYR A 99 3.074 5.672 -9.871 1.00 0.00 H new ATOM 1241 N ASP A 100 11.628 3.114 -11.233 1.00 0.00 N ATOM 1242 CA ASP A 100 12.960 2.533 -11.451 1.00 0.00 C ATOM 1243 C ASP A 100 14.113 3.446 -11.009 1.00 0.00 C ATOM 1244 O ASP A 100 15.096 2.986 -10.432 1.00 0.00 O ATOM 1245 CB ASP A 100 13.136 2.197 -12.926 1.00 0.00 C ATOM 1246 CG ASP A 100 14.300 1.214 -13.159 1.00 0.00 C ATOM 1247 OD1 ASP A 100 14.414 0.209 -12.415 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.107 1.442 -14.091 1.00 0.00 O ATOM 0 H ASP A 100 11.116 3.306 -12.094 1.00 0.00 H new ATOM 0 HA ASP A 100 13.007 1.637 -10.831 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.213 1.764 -13.312 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.317 3.113 -13.488 1.00 0.00 H new ATOM 1253 N MET A 101 13.983 4.753 -11.234 1.00 0.00 N ATOM 1254 CA MET A 101 14.950 5.751 -10.747 1.00 0.00 C ATOM 1255 C MET A 101 14.915 5.950 -9.217 1.00 0.00 C ATOM 1256 O MET A 101 15.919 6.353 -8.633 1.00 0.00 O ATOM 1257 CB MET A 101 15.033 7.020 -11.612 1.00 0.00 C ATOM 1258 CG MET A 101 13.866 7.990 -11.493 1.00 0.00 C ATOM 1259 SD MET A 101 13.766 8.888 -9.929 1.00 0.00 S ATOM 1260 CE MET A 101 12.146 9.660 -10.120 1.00 0.00 C ATOM 0 H MET A 101 13.206 5.155 -11.758 1.00 0.00 H new ATOM 0 HA MET A 101 15.937 5.315 -10.902 1.00 0.00 H new ATOM 0 HB2 MET A 101 15.949 7.552 -11.354 1.00 0.00 H new ATOM 0 HB3 MET A 101 15.123 6.718 -12.656 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.932 8.714 -12.305 1.00 0.00 H new ATOM 0 HG3 MET A 101 12.938 7.436 -11.635 1.00 0.00 H new ATOM 0 HE1 MET A 101 12.171 10.667 -9.704 1.00 0.00 H new ATOM 0 HE2 MET A 101 11.890 9.711 -11.178 1.00 0.00 H new ATOM 0 HE3 MET A 101 11.397 9.069 -9.594 1.00 0.00 H new ATOM 1270 N LEU A 102 13.786 5.691 -8.545 1.00 0.00 N ATOM 1271 CA LEU A 102 13.676 5.742 -7.090 1.00 0.00 C ATOM 1272 C LEU A 102 14.128 4.430 -6.443 1.00 0.00 C ATOM 1273 O LEU A 102 15.024 4.461 -5.615 1.00 0.00 O ATOM 1274 CB LEU A 102 12.225 6.080 -6.677 1.00 0.00 C ATOM 1275 CG LEU A 102 11.723 7.482 -7.066 1.00 0.00 C ATOM 1276 CD1 LEU A 102 10.264 7.641 -6.637 1.00 0.00 C ATOM 1277 CD2 LEU A 102 12.528 8.603 -6.405 1.00 0.00 C ATOM 0 H LEU A 102 12.913 5.437 -9.008 1.00 0.00 H new ATOM 0 HA LEU A 102 14.340 6.529 -6.731 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.560 5.341 -7.123 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.142 5.973 -5.595 1.00 0.00 H new ATOM 0 HG LEU A 102 11.837 7.565 -8.147 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.910 8.634 -6.913 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.654 6.887 -7.135 1.00 0.00 H new ATOM 0 HD13 LEU A 102 10.187 7.515 -5.557 1.00 0.00 H new ATOM 0 HD21 LEU A 102 12.130 9.569 -6.715 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.456 8.512 -5.321 1.00 0.00 H new ATOM 0 HD23 LEU A 102 13.573 8.528 -6.707 1.00 0.00 H new ATOM 1289 N ARG A 103 13.610 3.274 -6.870 1.00 0.00 N ATOM 1290 CA ARG A 103 13.727 1.964 -6.193 1.00 0.00 C ATOM 1291 C ARG A 103 15.121 1.495 -5.756 1.00 0.00 C ATOM 1292 O ARG A 103 15.253 0.806 -4.746 1.00 0.00 O ATOM 1293 CB ARG A 103 12.977 0.913 -7.034 1.00 0.00 C ATOM 1294 CG ARG A 103 13.568 0.551 -8.403 1.00 0.00 C ATOM 1295 CD ARG A 103 14.600 -0.579 -8.414 1.00 0.00 C ATOM 1296 NE ARG A 103 15.061 -0.820 -9.794 1.00 0.00 N ATOM 1297 CZ ARG A 103 15.909 -1.730 -10.225 1.00 0.00 C ATOM 1298 NH1 ARG A 103 16.512 -2.572 -9.433 1.00 0.00 N ATOM 1299 NH2 ARG A 103 16.146 -1.787 -11.500 1.00 0.00 N ATOM 0 H ARG A 103 13.072 3.216 -7.735 1.00 0.00 H new ATOM 0 HA ARG A 103 13.262 2.103 -5.217 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.906 -0.002 -6.445 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.959 1.271 -7.190 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.750 0.274 -9.068 1.00 0.00 H new ATOM 0 HG3 ARG A 103 14.032 1.443 -8.823 1.00 0.00 H new ATOM 0 HD2 ARG A 103 15.446 -0.318 -7.778 1.00 0.00 H new ATOM 0 HD3 ARG A 103 14.162 -1.488 -8.003 1.00 0.00 H new ATOM 0 HE ARG A 103 14.673 -0.202 -10.506 1.00 0.00 H new ATOM 0 HH11 ARG A 103 16.335 -2.544 -8.429 1.00 0.00 H new ATOM 0 HH12 ARG A 103 17.161 -3.259 -9.818 1.00 0.00 H new ATOM 0 HH21 ARG A 103 15.680 -1.138 -12.135 1.00 0.00 H new ATOM 0 HH22 ARG A 103 16.798 -2.480 -11.867 1.00 0.00 H new ATOM 1313 N LYS A 104 16.151 1.868 -6.519 1.00 0.00 N ATOM 1314 CA LYS A 104 17.571 1.577 -6.261 1.00 0.00 C ATOM 1315 C LYS A 104 18.331 2.634 -5.428 1.00 0.00 C ATOM 1316 O LYS A 104 19.395 2.326 -4.893 1.00 0.00 O ATOM 1317 CB LYS A 104 18.263 1.266 -7.606 1.00 0.00 C ATOM 1318 CG LYS A 104 17.986 2.184 -8.815 1.00 0.00 C ATOM 1319 CD LYS A 104 17.970 3.675 -8.448 1.00 0.00 C ATOM 1320 CE LYS A 104 18.190 4.667 -9.579 1.00 0.00 C ATOM 1321 NZ LYS A 104 19.607 4.730 -10.042 1.00 0.00 N ATOM 0 H LYS A 104 16.016 2.407 -7.375 1.00 0.00 H new ATOM 0 HA LYS A 104 17.603 0.704 -5.610 1.00 0.00 H new ATOM 0 HB2 LYS A 104 19.339 1.266 -7.431 1.00 0.00 H new ATOM 0 HB3 LYS A 104 17.987 0.251 -7.892 1.00 0.00 H new ATOM 0 HG2 LYS A 104 18.747 2.012 -9.576 1.00 0.00 H new ATOM 0 HG3 LYS A 104 17.026 1.914 -9.256 1.00 0.00 H new ATOM 0 HD2 LYS A 104 17.010 3.899 -7.983 1.00 0.00 H new ATOM 0 HD3 LYS A 104 18.737 3.846 -7.693 1.00 0.00 H new ATOM 0 HE2 LYS A 104 17.552 4.396 -10.420 1.00 0.00 H new ATOM 0 HE3 LYS A 104 17.878 5.658 -9.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 19.649 5.202 -10.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 20.174 5.266 -9.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 19.987 3.766 -10.128 1.00 0.00 H new ATOM 1335 N ASN A 105 17.823 3.871 -5.335 1.00 0.00 N ATOM 1336 CA ASN A 105 18.476 5.003 -4.641 1.00 0.00 C ATOM 1337 C ASN A 105 17.723 5.363 -3.369 1.00 0.00 C ATOM 1338 O ASN A 105 18.306 5.492 -2.294 1.00 0.00 O ATOM 1339 CB ASN A 105 18.540 6.236 -5.565 1.00 0.00 C ATOM 1340 CG ASN A 105 19.838 6.266 -6.350 1.00 0.00 C ATOM 1341 OD1 ASN A 105 19.872 6.222 -7.567 1.00 0.00 O ATOM 1342 ND2 ASN A 105 20.957 6.283 -5.668 1.00 0.00 N ATOM 0 H ASN A 105 16.925 4.124 -5.748 1.00 0.00 H new ATOM 0 HA ASN A 105 19.488 4.696 -4.378 1.00 0.00 H new ATOM 0 HB2 ASN A 105 17.695 6.222 -6.254 1.00 0.00 H new ATOM 0 HB3 ASN A 105 18.451 7.145 -4.970 1.00 0.00 H new ATOM 0 HD21 ASN A 105 21.852 6.259 -6.156 1.00 0.00 H new ATOM 0 HD22 ASN A 105 20.933 6.320 -4.649 1.00 0.00 H new ATOM 1349 N LEU A 106 16.413 5.531 -3.519 1.00 0.00 N ATOM 1350 CA LEU A 106 15.483 5.660 -2.423 1.00 0.00 C ATOM 1351 C LEU A 106 15.221 4.263 -1.851 1.00 0.00 C ATOM 1352 O LEU A 106 14.818 3.347 -2.569 1.00 0.00 O ATOM 1353 CB LEU A 106 14.237 6.296 -3.030 1.00 0.00 C ATOM 1354 CG LEU A 106 13.248 6.921 -2.070 1.00 0.00 C ATOM 1355 CD1 LEU A 106 12.674 5.993 -1.008 1.00 0.00 C ATOM 1356 CD2 LEU A 106 13.785 8.170 -1.381 1.00 0.00 C ATOM 0 H LEU A 106 15.966 5.581 -4.434 1.00 0.00 H new ATOM 0 HA LEU A 106 15.844 6.274 -1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 106 14.557 7.064 -3.734 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.714 5.533 -3.607 1.00 0.00 H new ATOM 0 HG LEU A 106 12.430 7.185 -2.740 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.979 6.547 -0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.149 5.169 -1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.483 5.598 -0.394 1.00 0.00 H new ATOM 0 HD21 LEU A 106 13.027 8.568 -0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 106 14.679 7.916 -0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 106 14.034 8.921 -2.131 1.00 0.00 H new ATOM 1368 N VAL A 107 15.453 4.116 -0.549 1.00 0.00 N ATOM 1369 CA VAL A 107 15.336 2.831 0.160 1.00 0.00 C ATOM 1370 C VAL A 107 14.378 2.995 1.345 1.00 0.00 C ATOM 1371 O VAL A 107 14.794 3.214 2.483 1.00 0.00 O ATOM 1372 CB VAL A 107 16.717 2.258 0.561 1.00 0.00 C ATOM 1373 CG1 VAL A 107 16.583 0.843 1.142 1.00 0.00 C ATOM 1374 CG2 VAL A 107 17.665 2.154 -0.643 1.00 0.00 C ATOM 0 H VAL A 107 15.731 4.889 0.055 1.00 0.00 H new ATOM 0 HA VAL A 107 14.912 2.086 -0.513 1.00 0.00 H new ATOM 0 HB VAL A 107 17.121 2.948 1.302 1.00 0.00 H new ATOM 0 HG11 VAL A 107 17.569 0.467 1.414 1.00 0.00 H new ATOM 0 HG12 VAL A 107 15.948 0.872 2.028 1.00 0.00 H new ATOM 0 HG13 VAL A 107 16.137 0.185 0.397 1.00 0.00 H new ATOM 0 HG21 VAL A 107 18.623 1.747 -0.318 1.00 0.00 H new ATOM 0 HG22 VAL A 107 17.228 1.496 -1.394 1.00 0.00 H new ATOM 0 HG23 VAL A 107 17.818 3.144 -1.072 1.00 0.00 H new ATOM 1384 N THR A 108 13.074 2.970 1.051 1.00 0.00 N ATOM 1385 CA THR A 108 11.987 3.155 2.034 1.00 0.00 C ATOM 1386 C THR A 108 11.459 1.812 2.582 1.00 0.00 C ATOM 1387 O THR A 108 12.021 0.748 2.307 1.00 0.00 O ATOM 1388 CB THR A 108 10.899 4.073 1.453 1.00 0.00 C ATOM 1389 OG1 THR A 108 10.046 4.499 2.493 1.00 0.00 O ATOM 1390 CG2 THR A 108 10.039 3.449 0.356 1.00 0.00 C ATOM 0 H THR A 108 12.731 2.817 0.103 1.00 0.00 H new ATOM 0 HA THR A 108 12.387 3.663 2.912 1.00 0.00 H new ATOM 0 HB THR A 108 11.438 4.898 0.988 1.00 0.00 H new ATOM 0 HG1 THR A 108 9.352 5.086 2.127 1.00 0.00 H new ATOM 0 HG21 THR A 108 9.303 4.176 0.013 1.00 0.00 H new ATOM 0 HG22 THR A 108 10.673 3.153 -0.480 1.00 0.00 H new ATOM 0 HG23 THR A 108 9.526 2.572 0.751 1.00 0.00 H new ATOM 1398 N LEU A 109 10.383 1.851 3.376 1.00 0.00 N ATOM 1399 CA LEU A 109 9.774 0.685 4.039 1.00 0.00 C ATOM 1400 C LEU A 109 9.130 -0.318 3.057 1.00 0.00 C ATOM 1401 O LEU A 109 9.109 -1.523 3.318 1.00 0.00 O ATOM 1402 CB LEU A 109 8.754 1.201 5.058 1.00 0.00 C ATOM 1403 CG LEU A 109 8.156 0.113 5.973 1.00 0.00 C ATOM 1404 CD1 LEU A 109 9.198 -0.731 6.714 1.00 0.00 C ATOM 1405 CD2 LEU A 109 7.324 0.823 7.029 1.00 0.00 C ATOM 0 H LEU A 109 9.894 2.722 3.584 1.00 0.00 H new ATOM 0 HA LEU A 109 10.564 0.120 4.535 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.232 1.958 5.680 1.00 0.00 H new ATOM 0 HB3 LEU A 109 7.942 1.694 4.523 1.00 0.00 H new ATOM 0 HG LEU A 109 7.588 -0.565 5.335 1.00 0.00 H new ATOM 0 HD11 LEU A 109 8.692 -1.471 7.334 1.00 0.00 H new ATOM 0 HD12 LEU A 109 9.836 -1.239 5.991 1.00 0.00 H new ATOM 0 HD13 LEU A 109 9.808 -0.084 7.345 1.00 0.00 H new ATOM 0 HD21 LEU A 109 6.881 0.086 7.699 1.00 0.00 H new ATOM 0 HD22 LEU A 109 7.961 1.498 7.601 1.00 0.00 H new ATOM 0 HD23 LEU A 109 6.532 1.395 6.545 1.00 0.00 H new ATOM 1417 N ALA A 110 8.606 0.174 1.930 1.00 0.00 N ATOM 1418 CA ALA A 110 7.936 -0.633 0.909 1.00 0.00 C ATOM 1419 C ALA A 110 8.904 -1.602 0.194 1.00 0.00 C ATOM 1420 O ALA A 110 10.055 -1.256 -0.090 1.00 0.00 O ATOM 1421 CB ALA A 110 7.234 0.305 -0.083 1.00 0.00 C ATOM 0 H ALA A 110 8.637 1.167 1.698 1.00 0.00 H new ATOM 0 HA ALA A 110 7.194 -1.266 1.396 1.00 0.00 H new ATOM 0 HB1 ALA A 110 6.731 -0.286 -0.849 1.00 0.00 H new ATOM 0 HB2 ALA A 110 6.500 0.912 0.447 1.00 0.00 H new ATOM 0 HB3 ALA A 110 7.972 0.956 -0.553 1.00 0.00 H new ATOM 1427 N THR A 111 8.428 -2.814 -0.110 1.00 0.00 N ATOM 1428 CA THR A 111 9.226 -3.913 -0.684 1.00 0.00 C ATOM 1429 C THR A 111 8.442 -4.802 -1.657 1.00 0.00 C ATOM 1430 O THR A 111 7.201 -4.823 -1.658 1.00 0.00 O ATOM 1431 CB THR A 111 9.836 -4.748 0.451 1.00 0.00 C ATOM 1432 OG1 THR A 111 10.784 -5.650 -0.085 1.00 0.00 O ATOM 1433 CG2 THR A 111 8.822 -5.551 1.274 1.00 0.00 C ATOM 0 H THR A 111 7.452 -3.069 0.039 1.00 0.00 H new ATOM 0 HA THR A 111 10.016 -3.457 -1.280 1.00 0.00 H new ATOM 0 HB THR A 111 10.290 -4.026 1.130 1.00 0.00 H new ATOM 0 HG1 THR A 111 11.175 -6.182 0.639 1.00 0.00 H new ATOM 0 HG21 THR A 111 9.344 -6.109 2.051 1.00 0.00 H new ATOM 0 HG22 THR A 111 8.106 -4.870 1.735 1.00 0.00 H new ATOM 0 HG23 THR A 111 8.293 -6.246 0.622 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 48M A 200 -0.390 13.089 -11.829 1.00 0.00 N HETATM 1443 CG1 48M A 200 2.827 13.764 -10.791 1.00 0.00 C HETATM 1444 CG2 48M A 200 1.138 11.321 -10.976 1.00 0.00 C HETATM 1445 CG3 48M A 200 -0.711 14.921 -13.362 1.00 0.00 C HETATM 1446 CD1 48M A 200 3.334 14.217 -12.016 1.00 0.00 C HETATM 1447 CD2 48M A 200 3.662 13.033 -9.939 1.00 0.00 C HETATM 1448 CD3 48M A 200 0.814 10.186 -10.228 1.00 0.00 C HETATM 1449 CD4 48M A 200 2.059 11.184 -12.014 1.00 0.00 C HETATM 1450 CD5 48M A 200 -1.785 14.264 -13.983 1.00 0.00 C HETATM 1451 CD6 48M A 200 -0.198 16.080 -13.975 1.00 0.00 C HETATM 1452 CE1 48M A 200 4.624 13.869 -12.418 1.00 0.00 C HETATM 1453 CE2 48M A 200 4.947 12.683 -10.345 1.00 0.00 C HETATM 1454 CE3 48M A 200 1.438 8.963 -10.483 1.00 0.00 C HETATM 1455 CE4 48M A 200 2.735 9.992 -12.230 1.00 0.00 C HETATM 1456 CE5 48M A 200 -2.396 14.786 -15.116 1.00 0.00 C HETATM 1457 CE6 48M A 200 -0.827 16.607 -15.109 1.00 0.00 C HETATM 1458 CZ1 48M A 200 5.421 13.086 -11.588 1.00 0.00 C HETATM 1459 CZ2 48M A 200 2.418 8.869 -11.473 1.00 0.00 C HETATM 1460 CZ3 48M A 200 -1.936 15.974 -15.668 1.00 0.00 C HETATM 1461 CL2 48M A 200 6.986 12.573 -12.107 1.00 0.00 CL HETATM 1462 CL1 48M A 200 4.000 9.967 -13.407 1.00 0.00 CL HETATM 1463 CM1 48M A 200 -2.622 16.536 -16.803 1.00 0.00 C HETATM 1464 CM2 48M A 200 2.580 16.465 -15.334 1.00 0.00 C HETATM 1465 CM3 48M A 200 2.964 17.998 -13.357 1.00 0.00 C HETATM 1466 NM1 48M A 200 -3.193 16.968 -17.695 1.00 0.00 N HETATM 1467 C1 48M A 200 -1.428 19.402 -11.180 1.00 0.00 C HETATM 1468 N1 48M A 200 -2.523 18.803 -11.677 1.00 0.00 N HETATM 1469 O1 48M A 200 -1.405 20.619 -11.149 1.00 0.00 O HETATM 1470 C2 48M A 200 -2.738 17.350 -11.701 1.00 0.00 C HETATM 1471 N2 48M A 200 -0.403 17.057 -10.848 1.00 0.00 N HETATM 1472 C3 48M A 200 -1.806 16.603 -10.726 1.00 0.00 C HETATM 1473 N3 48M A 200 0.652 14.988 -11.163 1.00 0.00 N HETATM 1474 C4 48M A 200 -0.271 18.532 -10.686 1.00 0.00 C HETATM 1475 C5 48M A 200 0.689 16.257 -10.700 1.00 0.00 C HETATM 1476 O5 48M A 200 1.676 16.685 -10.132 1.00 0.00 O HETATM 1477 C6 48M A 200 -0.201 14.326 -12.085 1.00 0.00 C HETATM 1478 O6 48M A 200 0.964 16.665 -13.503 1.00 0.00 O HETATM 1479 C7 48M A 200 0.454 12.664 -10.689 1.00 0.00 C HETATM 1480 C8 48M A 200 1.349 13.926 -10.419 1.00 0.00 C HETATM 1481 C9 48M A 200 1.914 17.407 -14.312 1.00 0.00 C