USER MOD reduce.3.24.130724 H: found=0, std=0, add=1091, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1090 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 65 SER OG : rot 35:sc= 0.262 USER MOD Set 1.2: A 67 GLN : amide:sc= -7! C(o=-6.7!,f=-11!) USER MOD Single : A 8 GLN : amide:sc= -4.63 K(o=-4.6,f=-6.5!) USER MOD Single : A 10 SER OG : rot 122:sc= 1.23 USER MOD Single : A 11 LYS NZ :NH3+ -140:sc= 0 (180deg=-1.14!) USER MOD Single : A 14 ASN : amide:sc= -15! C(o=-15!,f=-4.3!) USER MOD Single : A 20 LYS NZ :NH3+ 157:sc= -0.118 (180deg=-0.718) USER MOD Single : A 22 SER OG : rot 0:sc= -2.72! USER MOD Single : A 25 CYS SG : rot 180:sc= -2.27 USER MOD Single : A 28 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.135) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.328 USER MOD Single : A 30 THR OG1 : rot 70:sc= 0.937 USER MOD Single : A 37 HIS : no HD1:sc= -0.314 X(o=-0.31,f=-0.18) USER MOD Single : A 41 GLN : amide:sc= -0.0547 K(o=-0.055,f=-1.1) USER MOD Single : A 42 THR OG1 : rot 90:sc= 0.591 USER MOD Single : A 45 GLN : amide:sc= -5.19! C(o=-5.2!,f=-3.5!) USER MOD Single : A 46 ASN : amide:sc= -10.2! C(o=-10!,f=-23!) USER MOD Single : A 48 CYS SG : rot -163:sc= -5.94! USER MOD Single : A 53 SER OG : rot 150:sc= 0 USER MOD Single : A 60 THR OG1 : rot -140:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -2.67! K(o=-2.7!,f=-1) USER MOD Single : A 72 SER OG : rot 160:sc= -0.0161 USER MOD Single : A 74 GLN : amide:sc= 1.5 K(o=1.5,f=-1.8!) USER MOD Single : A 77 GLN : amide:sc= -4.05! C(o=-4!,f=-6.7!) USER MOD Single : A 79 GLN : amide:sc= -9.87! C(o=-9.9!,f=-3.9!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc=-0.00993 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 MET CE :methyl -112:sc= -1.37 (180deg=-4.07!) USER MOD Single : A 104 ASN : amide:sc=-0.00529 X(o=-0.0053,f=0.36) USER MOD Single : A 107 CYS SG : rot 0:sc= -11.2! USER MOD Single : A 111 LYS NZ :NH3+ -164:sc=-0.00623 (180deg=-0.152) USER MOD Single : A 117 HIS : no HE2:sc= -4.11! C(o=-4.1!,f=-1.4!) USER MOD Single : A 122 MET CE :methyl -123:sc=-0.00228 (180deg=-0.29) USER MOD Single : A 124 CYS SG : rot 180:sc= -1.52 USER MOD Single : A 133 GLN : amide:sc=-0.00154 K(o=-0.0015,f=-1.7!) USER MOD Single : A 134 GLN : amide:sc= -0.616 K(o=-0.62,f=-0.043) USER MOD Single : A 140 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 141 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 -16.338 -24.983 3.094 1.00 0.00 N ATOM 2 CA VAL A 4 -15.237 -24.257 2.398 1.00 0.00 C ATOM 3 C VAL A 4 -14.502 -25.223 1.469 1.00 0.00 C ATOM 4 O VAL A 4 -14.113 -26.302 1.869 1.00 0.00 O ATOM 5 CB VAL A 4 -14.253 -23.704 3.433 1.00 0.00 C ATOM 6 CG1 VAL A 4 -13.316 -22.695 2.763 1.00 0.00 C ATOM 7 CG2 VAL A 4 -15.028 -23.015 4.564 1.00 0.00 C ATOM 0 HA VAL A 4 -15.655 -23.435 1.818 1.00 0.00 H new ATOM 0 HB VAL A 4 -13.665 -24.524 3.846 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -12.616 -22.302 3.501 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -12.762 -23.188 1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -13.902 -21.876 2.346 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -14.326 -22.622 5.299 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -15.619 -22.197 4.154 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -15.690 -23.736 5.043 1.00 0.00 H new ATOM 17 N VAL A 5 -14.302 -24.849 0.235 1.00 0.00 N ATOM 18 CA VAL A 5 -13.586 -25.752 -0.708 1.00 0.00 C ATOM 19 C VAL A 5 -12.102 -25.837 -0.285 1.00 0.00 C ATOM 20 O VAL A 5 -11.403 -24.843 -0.302 1.00 0.00 O ATOM 21 CB VAL A 5 -13.711 -25.183 -2.127 1.00 0.00 C ATOM 22 CG1 VAL A 5 -13.116 -23.775 -2.184 1.00 0.00 C ATOM 23 CG2 VAL A 5 -12.977 -26.095 -3.116 1.00 0.00 C ATOM 0 H VAL A 5 -14.603 -23.958 -0.160 1.00 0.00 H new ATOM 0 HA VAL A 5 -14.018 -26.753 -0.688 1.00 0.00 H new ATOM 0 HB VAL A 5 -14.766 -25.132 -2.396 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -13.210 -23.381 -3.196 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -13.651 -23.126 -1.491 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -12.063 -23.814 -1.906 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -13.068 -25.688 -4.123 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -11.924 -26.155 -2.843 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -13.417 -27.092 -3.087 1.00 0.00 H new ATOM 33 N PRO A 6 -11.609 -27.000 0.116 1.00 0.00 N ATOM 34 CA PRO A 6 -10.184 -27.142 0.554 1.00 0.00 C ATOM 35 C PRO A 6 -9.176 -26.572 -0.457 1.00 0.00 C ATOM 36 O PRO A 6 -7.980 -26.673 -0.259 1.00 0.00 O ATOM 37 CB PRO A 6 -9.990 -28.662 0.710 1.00 0.00 C ATOM 38 CG PRO A 6 -11.358 -29.206 0.958 1.00 0.00 C ATOM 39 CD PRO A 6 -12.327 -28.292 0.208 1.00 0.00 C ATOM 0 HA PRO A 6 -10.001 -26.580 1.470 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -9.550 -29.097 -0.187 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.319 -28.891 1.538 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -11.438 -30.233 0.602 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.583 -29.220 2.024 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.564 -28.687 -0.780 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -13.270 -28.186 0.744 1.00 0.00 H new ATOM 47 N ASP A 7 -9.627 -25.978 -1.536 1.00 0.00 N ATOM 48 CA ASP A 7 -8.648 -25.426 -2.528 1.00 0.00 C ATOM 49 C ASP A 7 -8.229 -24.010 -2.121 1.00 0.00 C ATOM 50 O ASP A 7 -7.438 -23.374 -2.787 1.00 0.00 O ATOM 51 CB ASP A 7 -9.250 -25.442 -3.947 1.00 0.00 C ATOM 52 CG ASP A 7 -10.317 -24.356 -4.133 1.00 0.00 C ATOM 53 OD1 ASP A 7 -10.197 -23.305 -3.528 1.00 0.00 O ATOM 54 OD2 ASP A 7 -11.229 -24.590 -4.906 1.00 0.00 O ATOM 0 H ASP A 7 -10.612 -25.852 -1.771 1.00 0.00 H new ATOM 0 HA ASP A 7 -7.759 -26.056 -2.536 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -8.455 -25.298 -4.679 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -9.690 -26.420 -4.143 1.00 0.00 H new ATOM 59 N GLN A 8 -8.732 -23.511 -1.019 1.00 0.00 N ATOM 60 CA GLN A 8 -8.326 -22.144 -0.573 1.00 0.00 C ATOM 61 C GLN A 8 -7.097 -22.289 0.307 1.00 0.00 C ATOM 62 O GLN A 8 -5.994 -21.950 -0.069 1.00 0.00 O ATOM 63 CB GLN A 8 -9.453 -21.541 0.269 1.00 0.00 C ATOM 64 CG GLN A 8 -10.709 -21.433 -0.581 1.00 0.00 C ATOM 65 CD GLN A 8 -11.860 -20.871 0.258 1.00 0.00 C ATOM 66 OE1 GLN A 8 -11.763 -20.779 1.465 1.00 0.00 O ATOM 67 NE2 GLN A 8 -12.958 -20.492 -0.337 1.00 0.00 N ATOM 0 H GLN A 8 -9.401 -23.987 -0.414 1.00 0.00 H new ATOM 0 HA GLN A 8 -8.120 -21.506 -1.433 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -9.643 -22.164 1.143 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.162 -20.557 0.636 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.523 -20.787 -1.439 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.979 -22.414 -0.973 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -13.041 -20.569 -1.351 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -13.733 -20.119 0.212 1.00 0.00 H new ATOM 76 N ARG A 9 -7.288 -22.825 1.471 1.00 0.00 N ATOM 77 CA ARG A 9 -6.148 -23.037 2.391 1.00 0.00 C ATOM 78 C ARG A 9 -5.048 -23.828 1.680 1.00 0.00 C ATOM 79 O ARG A 9 -3.872 -23.576 1.860 1.00 0.00 O ATOM 80 CB ARG A 9 -6.624 -23.817 3.613 1.00 0.00 C ATOM 81 CG ARG A 9 -5.471 -23.946 4.605 1.00 0.00 C ATOM 82 CD ARG A 9 -5.970 -24.618 5.880 1.00 0.00 C ATOM 83 NE ARG A 9 -6.272 -26.047 5.606 1.00 0.00 N ATOM 84 CZ ARG A 9 -6.431 -26.874 6.600 1.00 0.00 C ATOM 85 NH1 ARG A 9 -6.294 -26.447 7.824 1.00 0.00 N ATOM 86 NH2 ARG A 9 -6.730 -28.123 6.373 1.00 0.00 N ATOM 0 H ARG A 9 -8.194 -23.128 1.828 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.751 -22.071 2.703 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -7.466 -23.306 4.080 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.976 -24.805 3.315 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -4.663 -24.531 4.166 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.064 -22.962 4.836 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.216 -24.539 6.663 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -6.863 -24.111 6.245 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.354 -26.379 4.645 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -6.063 -25.469 8.000 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -6.418 -27.091 8.606 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -6.840 -28.455 5.415 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -6.854 -28.768 7.154 1.00 0.00 H new ATOM 100 N SER A 10 -5.424 -24.805 0.900 1.00 0.00 N ATOM 101 CA SER A 10 -4.409 -25.642 0.200 1.00 0.00 C ATOM 102 C SER A 10 -3.603 -24.827 -0.821 1.00 0.00 C ATOM 103 O SER A 10 -2.402 -24.975 -0.920 1.00 0.00 O ATOM 104 CB SER A 10 -5.108 -26.791 -0.524 1.00 0.00 C ATOM 105 OG SER A 10 -5.781 -27.609 0.422 1.00 0.00 O ATOM 0 H SER A 10 -6.394 -25.060 0.717 1.00 0.00 H new ATOM 0 HA SER A 10 -3.719 -26.025 0.952 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.819 -26.398 -1.251 1.00 0.00 H new ATOM 0 HB3 SER A 10 -4.379 -27.382 -1.078 1.00 0.00 H new ATOM 0 HG SER A 10 -6.735 -27.647 0.201 1.00 0.00 H new ATOM 111 N LYS A 11 -4.237 -23.993 -1.603 1.00 0.00 N ATOM 112 CA LYS A 11 -3.458 -23.224 -2.619 1.00 0.00 C ATOM 113 C LYS A 11 -2.451 -22.294 -1.928 1.00 0.00 C ATOM 114 O LYS A 11 -1.360 -22.077 -2.413 1.00 0.00 O ATOM 115 CB LYS A 11 -4.421 -22.441 -3.549 1.00 0.00 C ATOM 116 CG LYS A 11 -4.828 -21.067 -2.952 1.00 0.00 C ATOM 117 CD LYS A 11 -3.910 -19.958 -3.494 1.00 0.00 C ATOM 118 CE LYS A 11 -4.348 -18.601 -2.947 1.00 0.00 C ATOM 119 NZ LYS A 11 -3.398 -17.558 -3.429 1.00 0.00 N ATOM 0 H LYS A 11 -5.241 -23.813 -1.585 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.891 -23.919 -3.238 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.943 -22.287 -4.517 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.316 -23.037 -3.727 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.865 -20.846 -3.204 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.765 -21.102 -1.864 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.877 -20.158 -3.208 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.943 -19.948 -4.583 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.361 -18.370 -3.277 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.365 -18.621 -1.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.210 -16.880 -2.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.507 -18.008 -3.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.814 -17.058 -4.240 1.00 0.00 H new ATOM 133 N PHE A 12 -2.815 -21.728 -0.810 1.00 0.00 N ATOM 134 CA PHE A 12 -1.887 -20.801 -0.094 1.00 0.00 C ATOM 135 C PHE A 12 -0.659 -21.554 0.450 1.00 0.00 C ATOM 136 O PHE A 12 0.456 -21.088 0.365 1.00 0.00 O ATOM 137 CB PHE A 12 -2.657 -20.107 1.054 1.00 0.00 C ATOM 138 CG PHE A 12 -1.707 -19.602 2.134 1.00 0.00 C ATOM 139 CD1 PHE A 12 -1.068 -18.353 2.009 1.00 0.00 C ATOM 140 CD2 PHE A 12 -1.467 -20.395 3.264 1.00 0.00 C ATOM 141 CE1 PHE A 12 -0.195 -17.912 3.016 1.00 0.00 C ATOM 142 CE2 PHE A 12 -0.597 -19.949 4.267 1.00 0.00 C ATOM 143 CZ PHE A 12 0.041 -18.710 4.144 1.00 0.00 C ATOM 0 H PHE A 12 -3.719 -21.867 -0.358 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.522 -20.050 -0.795 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.234 -19.272 0.655 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.369 -20.806 1.492 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.249 -17.736 1.141 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.955 -21.354 3.362 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.296 -16.955 2.921 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.418 -20.563 5.137 1.00 0.00 H new ATOM 0 HZ PHE A 12 0.714 -18.369 4.917 1.00 0.00 H new ATOM 153 N GLU A 13 -0.849 -22.685 1.060 1.00 0.00 N ATOM 154 CA GLU A 13 0.320 -23.407 1.644 1.00 0.00 C ATOM 155 C GLU A 13 1.175 -24.119 0.584 1.00 0.00 C ATOM 156 O GLU A 13 2.320 -24.431 0.845 1.00 0.00 O ATOM 157 CB GLU A 13 -0.179 -24.421 2.666 1.00 0.00 C ATOM 158 CG GLU A 13 -1.054 -25.452 1.968 1.00 0.00 C ATOM 159 CD GLU A 13 -1.754 -26.313 3.019 1.00 0.00 C ATOM 160 OE1 GLU A 13 -1.525 -26.082 4.195 1.00 0.00 O ATOM 161 OE2 GLU A 13 -2.508 -27.189 2.629 1.00 0.00 O ATOM 0 H GLU A 13 -1.753 -23.142 1.182 1.00 0.00 H new ATOM 0 HA GLU A 13 0.960 -22.662 2.118 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.665 -24.912 3.150 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.746 -23.917 3.449 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.792 -24.954 1.339 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.447 -26.078 1.314 1.00 0.00 H new ATOM 168 N ASN A 14 0.652 -24.410 -0.591 1.00 0.00 N ATOM 169 CA ASN A 14 1.491 -25.142 -1.607 1.00 0.00 C ATOM 170 C ASN A 14 2.177 -24.174 -2.587 1.00 0.00 C ATOM 171 O ASN A 14 3.209 -24.496 -3.142 1.00 0.00 O ATOM 172 CB ASN A 14 0.621 -26.157 -2.371 1.00 0.00 C ATOM 173 CG ASN A 14 -0.375 -25.450 -3.289 1.00 0.00 C ATOM 174 OD1 ASN A 14 -1.019 -26.083 -4.103 1.00 0.00 O ATOM 175 ND2 ASN A 14 -0.543 -24.169 -3.187 1.00 0.00 N ATOM 0 H ASN A 14 -0.297 -24.179 -0.887 1.00 0.00 H new ATOM 0 HA ASN A 14 2.279 -25.673 -1.072 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.259 -26.816 -2.961 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.083 -26.786 -1.661 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.215 -23.693 -3.789 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.003 -23.637 -2.504 1.00 0.00 H new ATOM 182 N GLU A 15 1.652 -22.994 -2.801 1.00 0.00 N ATOM 183 CA GLU A 15 2.339 -22.049 -3.744 1.00 0.00 C ATOM 184 C GLU A 15 3.504 -21.346 -3.036 1.00 0.00 C ATOM 185 O GLU A 15 3.358 -20.786 -1.967 1.00 0.00 O ATOM 186 CB GLU A 15 1.354 -20.993 -4.274 1.00 0.00 C ATOM 187 CG GLU A 15 0.407 -21.620 -5.296 1.00 0.00 C ATOM 188 CD GLU A 15 1.192 -21.980 -6.560 1.00 0.00 C ATOM 189 OE1 GLU A 15 1.362 -21.108 -7.398 1.00 0.00 O ATOM 190 OE2 GLU A 15 1.617 -23.116 -6.662 1.00 0.00 O ATOM 0 H GLU A 15 0.794 -22.645 -2.374 1.00 0.00 H new ATOM 0 HA GLU A 15 2.720 -22.630 -4.584 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.782 -20.572 -3.447 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.903 -20.171 -4.733 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.059 -22.512 -4.877 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.396 -20.925 -5.539 1.00 0.00 H new ATOM 197 N GLU A 16 4.658 -21.366 -3.650 1.00 0.00 N ATOM 198 CA GLU A 16 5.857 -20.699 -3.064 1.00 0.00 C ATOM 199 C GLU A 16 5.869 -19.229 -3.492 1.00 0.00 C ATOM 200 O GLU A 16 6.774 -18.483 -3.195 1.00 0.00 O ATOM 201 CB GLU A 16 7.122 -21.406 -3.569 1.00 0.00 C ATOM 202 CG GLU A 16 7.093 -22.878 -3.140 1.00 0.00 C ATOM 203 CD GLU A 16 7.117 -22.965 -1.613 1.00 0.00 C ATOM 204 OE1 GLU A 16 6.050 -22.946 -1.021 1.00 0.00 O ATOM 205 OE2 GLU A 16 8.202 -23.038 -1.060 1.00 0.00 O ATOM 0 H GLU A 16 4.822 -21.824 -4.547 1.00 0.00 H new ATOM 0 HA GLU A 16 5.826 -20.756 -1.976 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.182 -21.334 -4.655 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.009 -20.917 -3.167 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.198 -23.363 -3.528 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.949 -23.407 -3.558 1.00 0.00 H new ATOM 212 N PHE A 17 4.868 -18.820 -4.209 1.00 0.00 N ATOM 213 CA PHE A 17 4.799 -17.413 -4.696 1.00 0.00 C ATOM 214 C PHE A 17 4.806 -16.416 -3.522 1.00 0.00 C ATOM 215 O PHE A 17 5.212 -15.281 -3.680 1.00 0.00 O ATOM 216 CB PHE A 17 3.518 -17.269 -5.558 1.00 0.00 C ATOM 217 CG PHE A 17 2.954 -15.869 -5.457 1.00 0.00 C ATOM 218 CD1 PHE A 17 3.745 -14.778 -5.822 1.00 0.00 C ATOM 219 CD2 PHE A 17 1.649 -15.662 -4.984 1.00 0.00 C ATOM 220 CE1 PHE A 17 3.239 -13.480 -5.713 1.00 0.00 C ATOM 221 CE2 PHE A 17 1.140 -14.365 -4.881 1.00 0.00 C ATOM 222 CZ PHE A 17 1.935 -13.273 -5.244 1.00 0.00 C ATOM 0 H PHE A 17 4.080 -19.407 -4.485 1.00 0.00 H new ATOM 0 HA PHE A 17 5.677 -17.182 -5.300 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.747 -17.499 -6.599 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.771 -17.991 -5.229 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.748 -14.937 -6.189 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.038 -16.506 -4.699 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.853 -12.636 -5.990 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.134 -14.206 -4.522 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.544 -12.270 -5.163 1.00 0.00 H new ATOM 232 N PHE A 18 4.352 -16.796 -2.368 1.00 0.00 N ATOM 233 CA PHE A 18 4.340 -15.823 -1.235 1.00 0.00 C ATOM 234 C PHE A 18 5.760 -15.577 -0.725 1.00 0.00 C ATOM 235 O PHE A 18 6.256 -14.475 -0.742 1.00 0.00 O ATOM 236 CB PHE A 18 3.485 -16.389 -0.112 1.00 0.00 C ATOM 237 CG PHE A 18 2.197 -16.873 -0.712 1.00 0.00 C ATOM 238 CD1 PHE A 18 1.277 -15.951 -1.213 1.00 0.00 C ATOM 239 CD2 PHE A 18 1.933 -18.238 -0.786 1.00 0.00 C ATOM 240 CE1 PHE A 18 0.081 -16.396 -1.784 1.00 0.00 C ATOM 241 CE2 PHE A 18 0.745 -18.684 -1.358 1.00 0.00 C ATOM 242 CZ PHE A 18 -0.184 -17.767 -1.854 1.00 0.00 C ATOM 0 H PHE A 18 3.991 -17.726 -2.155 1.00 0.00 H new ATOM 0 HA PHE A 18 3.928 -14.874 -1.580 1.00 0.00 H new ATOM 0 HB2 PHE A 18 4.004 -17.207 0.388 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.292 -15.626 0.642 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.489 -14.893 -1.160 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.648 -18.949 -0.400 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.634 -15.684 -2.169 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.541 -19.743 -1.418 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.107 -18.117 -2.292 1.00 0.00 H new ATOM 252 N ARG A 19 6.427 -16.584 -0.276 1.00 0.00 N ATOM 253 CA ARG A 19 7.807 -16.362 0.223 1.00 0.00 C ATOM 254 C ARG A 19 8.673 -15.784 -0.903 1.00 0.00 C ATOM 255 O ARG A 19 9.503 -14.925 -0.675 1.00 0.00 O ATOM 256 CB ARG A 19 8.386 -17.689 0.756 1.00 0.00 C ATOM 257 CG ARG A 19 7.725 -18.883 0.036 1.00 0.00 C ATOM 258 CD ARG A 19 6.418 -19.287 0.760 1.00 0.00 C ATOM 259 NE ARG A 19 6.715 -20.352 1.766 1.00 0.00 N ATOM 260 CZ ARG A 19 5.815 -20.692 2.657 1.00 0.00 C ATOM 261 NH1 ARG A 19 4.626 -20.154 2.630 1.00 0.00 N ATOM 262 NH2 ARG A 19 6.100 -21.587 3.564 1.00 0.00 N ATOM 0 H ARG A 19 6.088 -17.545 -0.230 1.00 0.00 H new ATOM 0 HA ARG A 19 7.796 -15.645 1.044 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.465 -17.713 0.601 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.217 -17.763 1.830 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.509 -18.619 -0.999 1.00 0.00 H new ATOM 0 HG3 ARG A 19 8.412 -19.729 0.012 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.979 -18.419 1.252 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.686 -19.648 0.038 1.00 0.00 H new ATOM 0 HE ARG A 19 7.623 -20.817 1.759 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.394 -19.466 1.914 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.929 -20.422 3.325 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.023 -22.022 3.579 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.400 -21.852 4.257 1.00 0.00 H new ATOM 276 N LYS A 20 8.502 -16.243 -2.112 1.00 0.00 N ATOM 277 CA LYS A 20 9.334 -15.704 -3.221 1.00 0.00 C ATOM 278 C LYS A 20 9.065 -14.208 -3.471 1.00 0.00 C ATOM 279 O LYS A 20 9.987 -13.459 -3.727 1.00 0.00 O ATOM 280 CB LYS A 20 9.045 -16.517 -4.488 1.00 0.00 C ATOM 281 CG LYS A 20 9.396 -17.995 -4.251 1.00 0.00 C ATOM 282 CD LYS A 20 10.909 -18.216 -4.364 1.00 0.00 C ATOM 283 CE LYS A 20 11.206 -19.715 -4.308 1.00 0.00 C ATOM 284 NZ LYS A 20 10.618 -20.383 -5.503 1.00 0.00 N ATOM 0 H LYS A 20 7.828 -16.961 -2.377 1.00 0.00 H new ATOM 0 HA LYS A 20 10.384 -15.793 -2.944 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.994 -16.423 -4.760 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.626 -16.125 -5.323 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.051 -18.302 -3.264 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.877 -18.619 -4.979 1.00 0.00 H new ATOM 0 HD2 LYS A 20 11.281 -17.794 -5.298 1.00 0.00 H new ATOM 0 HD3 LYS A 20 11.425 -17.701 -3.554 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.283 -19.882 -4.278 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.791 -20.145 -3.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.119 -21.276 -5.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.611 -20.579 -5.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.713 -19.760 -6.331 1.00 0.00 H new ATOM 298 N LEU A 21 7.826 -13.756 -3.407 1.00 0.00 N ATOM 299 CA LEU A 21 7.528 -12.295 -3.658 1.00 0.00 C ATOM 300 C LEU A 21 6.922 -11.646 -2.401 1.00 0.00 C ATOM 301 O LEU A 21 7.218 -10.509 -2.086 1.00 0.00 O ATOM 302 CB LEU A 21 6.520 -12.150 -4.827 1.00 0.00 C ATOM 303 CG LEU A 21 7.222 -12.035 -6.201 1.00 0.00 C ATOM 304 CD1 LEU A 21 7.734 -10.599 -6.429 1.00 0.00 C ATOM 305 CD2 LEU A 21 8.381 -13.039 -6.315 1.00 0.00 C ATOM 0 H LEU A 21 7.011 -14.331 -3.193 1.00 0.00 H new ATOM 0 HA LEU A 21 8.464 -11.797 -3.911 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.851 -13.010 -4.835 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.902 -11.267 -4.663 1.00 0.00 H new ATOM 0 HG LEU A 21 6.489 -12.272 -6.973 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.225 -10.538 -7.400 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.894 -9.905 -6.402 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.446 -10.338 -5.646 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.857 -12.936 -7.290 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.113 -12.841 -5.532 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.996 -14.053 -6.204 1.00 0.00 H new ATOM 317 N SER A 22 6.068 -12.335 -1.687 1.00 0.00 N ATOM 318 CA SER A 22 5.459 -11.713 -0.478 1.00 0.00 C ATOM 319 C SER A 22 6.481 -11.710 0.652 1.00 0.00 C ATOM 320 O SER A 22 6.431 -12.516 1.558 1.00 0.00 O ATOM 321 CB SER A 22 4.206 -12.476 -0.043 1.00 0.00 C ATOM 322 OG SER A 22 4.577 -13.676 0.616 1.00 0.00 O ATOM 0 H SER A 22 5.770 -13.290 -1.887 1.00 0.00 H new ATOM 0 HA SER A 22 5.167 -10.690 -0.718 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.605 -11.856 0.622 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.588 -12.704 -0.912 1.00 0.00 H new ATOM 0 HG SER A 22 5.554 -13.745 0.645 1.00 0.00 H new ATOM 328 N ARG A 23 7.412 -10.807 0.590 1.00 0.00 N ATOM 329 CA ARG A 23 8.471 -10.722 1.636 1.00 0.00 C ATOM 330 C ARG A 23 8.927 -9.271 1.787 1.00 0.00 C ATOM 331 O ARG A 23 8.383 -8.372 1.169 1.00 0.00 O ATOM 332 CB ARG A 23 9.667 -11.592 1.234 1.00 0.00 C ATOM 333 CG ARG A 23 10.319 -11.032 -0.037 1.00 0.00 C ATOM 334 CD ARG A 23 11.351 -12.028 -0.568 1.00 0.00 C ATOM 335 NE ARG A 23 12.240 -11.338 -1.564 1.00 0.00 N ATOM 336 CZ ARG A 23 11.763 -10.755 -2.631 1.00 0.00 C ATOM 337 NH1 ARG A 23 10.517 -10.931 -2.987 1.00 0.00 N ATOM 338 NH2 ARG A 23 12.553 -10.033 -3.376 1.00 0.00 N ATOM 0 H ARG A 23 7.489 -10.111 -0.152 1.00 0.00 H new ATOM 0 HA ARG A 23 8.067 -11.078 2.584 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.396 -11.620 2.044 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.340 -12.618 1.063 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.558 -10.843 -0.795 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.798 -10.077 0.179 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.946 -12.425 0.254 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.849 -12.875 -1.036 1.00 0.00 H new ATOM 0 HE ARG A 23 13.247 -11.325 -1.402 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.907 -11.529 -2.429 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.155 -10.471 -3.822 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.536 -9.927 -3.124 1.00 0.00 H new ATOM 0 HH22 ARG A 23 12.188 -9.574 -4.211 1.00 0.00 H new ATOM 352 N GLU A 24 9.920 -9.045 2.611 1.00 0.00 N ATOM 353 CA GLU A 24 10.458 -7.665 2.802 1.00 0.00 C ATOM 354 C GLU A 24 11.134 -7.232 1.501 1.00 0.00 C ATOM 355 O GLU A 24 12.127 -7.803 1.095 1.00 0.00 O ATOM 356 CB GLU A 24 11.459 -7.683 3.962 1.00 0.00 C ATOM 357 CG GLU A 24 12.691 -8.529 3.593 1.00 0.00 C ATOM 358 CD GLU A 24 13.370 -9.030 4.870 1.00 0.00 C ATOM 359 OE1 GLU A 24 12.959 -10.068 5.364 1.00 0.00 O ATOM 360 OE2 GLU A 24 14.283 -8.369 5.334 1.00 0.00 O ATOM 0 H GLU A 24 10.384 -9.765 3.164 1.00 0.00 H new ATOM 0 HA GLU A 24 9.663 -6.959 3.042 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.767 -6.665 4.201 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.984 -8.090 4.855 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.392 -9.374 2.972 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.391 -7.934 3.006 1.00 0.00 H new ATOM 367 N CYS A 25 10.593 -6.245 0.825 1.00 0.00 N ATOM 368 CA CYS A 25 11.200 -5.798 -0.471 1.00 0.00 C ATOM 369 C CYS A 25 11.338 -4.275 -0.509 1.00 0.00 C ATOM 370 O CYS A 25 10.562 -3.552 0.084 1.00 0.00 O ATOM 371 CB CYS A 25 10.294 -6.260 -1.604 1.00 0.00 C ATOM 372 SG CYS A 25 10.394 -8.059 -1.752 1.00 0.00 S ATOM 0 H CYS A 25 9.760 -5.731 1.113 1.00 0.00 H new ATOM 0 HA CYS A 25 12.196 -6.229 -0.575 1.00 0.00 H new ATOM 0 HB2 CYS A 25 9.265 -5.956 -1.410 1.00 0.00 H new ATOM 0 HB3 CYS A 25 10.594 -5.789 -2.540 1.00 0.00 H new ATOM 0 HG CYS A 25 9.620 -8.459 -2.717 1.00 0.00 H new ATOM 378 N GLU A 26 12.315 -3.787 -1.224 1.00 0.00 N ATOM 379 CA GLU A 26 12.504 -2.311 -1.329 1.00 0.00 C ATOM 380 C GLU A 26 11.293 -1.702 -2.062 1.00 0.00 C ATOM 381 O GLU A 26 10.786 -2.283 -3.000 1.00 0.00 O ATOM 382 CB GLU A 26 13.796 -2.025 -2.100 1.00 0.00 C ATOM 383 CG GLU A 26 15.007 -2.490 -1.281 1.00 0.00 C ATOM 384 CD GLU A 26 16.295 -2.024 -1.965 1.00 0.00 C ATOM 385 OE1 GLU A 26 16.691 -2.653 -2.932 1.00 0.00 O ATOM 386 OE2 GLU A 26 16.863 -1.044 -1.511 1.00 0.00 O ATOM 0 H GLU A 26 12.992 -4.348 -1.741 1.00 0.00 H new ATOM 0 HA GLU A 26 12.579 -1.866 -0.337 1.00 0.00 H new ATOM 0 HB2 GLU A 26 13.777 -2.539 -3.061 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.876 -0.958 -2.310 1.00 0.00 H new ATOM 0 HG2 GLU A 26 14.953 -2.086 -0.270 1.00 0.00 H new ATOM 0 HG3 GLU A 26 15.003 -3.576 -1.191 1.00 0.00 H new ATOM 393 N ILE A 27 10.816 -0.544 -1.636 1.00 0.00 N ATOM 394 CA ILE A 27 9.618 0.085 -2.308 1.00 0.00 C ATOM 395 C ILE A 27 9.901 1.553 -2.675 1.00 0.00 C ATOM 396 O ILE A 27 10.604 2.275 -1.973 1.00 0.00 O ATOM 397 CB ILE A 27 8.407 0.002 -1.358 1.00 0.00 C ATOM 398 CG1 ILE A 27 8.560 0.983 -0.184 1.00 0.00 C ATOM 399 CG2 ILE A 27 8.303 -1.414 -0.814 1.00 0.00 C ATOM 400 CD1 ILE A 27 7.357 0.866 0.758 1.00 0.00 C ATOM 0 H ILE A 27 11.202 -0.011 -0.857 1.00 0.00 H new ATOM 0 HA ILE A 27 9.404 -0.456 -3.229 1.00 0.00 H new ATOM 0 HB ILE A 27 7.507 0.266 -1.914 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.480 0.771 0.360 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.640 2.003 -0.560 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.449 -1.483 -0.140 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.171 -2.112 -1.640 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.215 -1.663 -0.271 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.474 1.565 1.586 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.443 1.101 0.212 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.297 -0.151 1.146 1.00 0.00 H new ATOM 412 N LYS A 28 9.328 1.991 -3.778 1.00 0.00 N ATOM 413 CA LYS A 28 9.516 3.393 -4.253 1.00 0.00 C ATOM 414 C LYS A 28 8.160 3.985 -4.621 1.00 0.00 C ATOM 415 O LYS A 28 7.490 3.507 -5.521 1.00 0.00 O ATOM 416 CB LYS A 28 10.403 3.370 -5.502 1.00 0.00 C ATOM 417 CG LYS A 28 11.756 2.758 -5.143 1.00 0.00 C ATOM 418 CD LYS A 28 12.739 2.942 -6.301 1.00 0.00 C ATOM 419 CE LYS A 28 12.200 2.261 -7.567 1.00 0.00 C ATOM 420 NZ LYS A 28 13.347 1.898 -8.446 1.00 0.00 N ATOM 0 H LYS A 28 8.729 1.420 -4.374 1.00 0.00 H new ATOM 0 HA LYS A 28 9.979 3.994 -3.470 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.926 2.790 -6.292 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.538 4.381 -5.886 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.150 3.229 -4.243 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.637 1.697 -4.921 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.896 4.004 -6.489 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.708 2.519 -6.036 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.631 1.370 -7.302 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.519 2.929 -8.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.109 2.117 -9.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.187 2.442 -8.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.546 0.881 -8.355 1.00 0.00 H new ATOM 434 N TYR A 29 7.757 5.030 -3.949 1.00 0.00 N ATOM 435 CA TYR A 29 6.445 5.656 -4.273 1.00 0.00 C ATOM 436 C TYR A 29 6.500 6.229 -5.690 1.00 0.00 C ATOM 437 O TYR A 29 7.539 6.649 -6.159 1.00 0.00 O ATOM 438 CB TYR A 29 6.139 6.759 -3.256 1.00 0.00 C ATOM 439 CG TYR A 29 4.843 7.449 -3.620 1.00 0.00 C ATOM 440 CD1 TYR A 29 3.622 6.905 -3.205 1.00 0.00 C ATOM 441 CD2 TYR A 29 4.862 8.637 -4.365 1.00 0.00 C ATOM 442 CE1 TYR A 29 2.421 7.543 -3.536 1.00 0.00 C ATOM 443 CE2 TYR A 29 3.659 9.277 -4.694 1.00 0.00 C ATOM 444 CZ TYR A 29 2.438 8.729 -4.279 1.00 0.00 C ATOM 445 OH TYR A 29 1.253 9.359 -4.602 1.00 0.00 O ATOM 0 H TYR A 29 8.278 5.475 -3.193 1.00 0.00 H new ATOM 0 HA TYR A 29 5.652 4.910 -4.224 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.066 6.333 -2.255 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.953 7.483 -3.235 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.607 5.992 -2.629 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.803 9.059 -4.685 1.00 0.00 H new ATOM 0 HE1 TYR A 29 1.480 7.120 -3.218 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.673 10.192 -5.267 1.00 0.00 H new ATOM 0 HH TYR A 29 1.444 10.169 -5.119 1.00 0.00 H new ATOM 455 N THR A 30 5.395 6.219 -6.384 1.00 0.00 N ATOM 456 CA THR A 30 5.382 6.729 -7.788 1.00 0.00 C ATOM 457 C THR A 30 5.259 8.257 -7.820 1.00 0.00 C ATOM 458 O THR A 30 4.432 8.842 -7.153 1.00 0.00 O ATOM 459 CB THR A 30 4.197 6.113 -8.530 1.00 0.00 C ATOM 460 OG1 THR A 30 4.284 4.696 -8.464 1.00 0.00 O ATOM 461 CG2 THR A 30 4.223 6.565 -9.991 1.00 0.00 C ATOM 0 H THR A 30 4.497 5.879 -6.040 1.00 0.00 H new ATOM 0 HA THR A 30 6.320 6.450 -8.268 1.00 0.00 H new ATOM 0 HB THR A 30 3.265 6.439 -8.068 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.114 4.400 -7.545 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.378 6.127 -10.523 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.156 7.652 -10.037 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.153 6.239 -10.456 1.00 0.00 H new ATOM 469 N GLY A 31 6.076 8.903 -8.614 1.00 0.00 N ATOM 470 CA GLY A 31 6.015 10.392 -8.724 1.00 0.00 C ATOM 471 C GLY A 31 7.090 10.865 -9.705 1.00 0.00 C ATOM 472 O GLY A 31 7.924 10.098 -10.145 1.00 0.00 O ATOM 0 H GLY A 31 6.787 8.459 -9.195 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.029 10.704 -9.068 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.171 10.848 -7.746 1.00 0.00 H new ATOM 476 N PHE A 32 7.077 12.120 -10.059 1.00 0.00 N ATOM 477 CA PHE A 32 8.095 12.641 -11.015 1.00 0.00 C ATOM 478 C PHE A 32 9.368 13.036 -10.257 1.00 0.00 C ATOM 479 O PHE A 32 9.546 14.165 -9.848 1.00 0.00 O ATOM 480 CB PHE A 32 7.511 13.849 -11.736 1.00 0.00 C ATOM 481 CG PHE A 32 6.395 13.386 -12.636 1.00 0.00 C ATOM 482 CD1 PHE A 32 5.103 13.260 -12.123 1.00 0.00 C ATOM 483 CD2 PHE A 32 6.649 13.087 -13.979 1.00 0.00 C ATOM 484 CE1 PHE A 32 4.056 12.837 -12.948 1.00 0.00 C ATOM 485 CE2 PHE A 32 5.603 12.663 -14.808 1.00 0.00 C ATOM 486 CZ PHE A 32 4.306 12.538 -14.291 1.00 0.00 C ATOM 0 H PHE A 32 6.403 12.810 -9.727 1.00 0.00 H new ATOM 0 HA PHE A 32 8.354 11.871 -11.742 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.137 14.575 -11.014 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.283 14.350 -12.320 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.911 13.490 -11.085 1.00 0.00 H new ATOM 0 HD2 PHE A 32 7.649 13.183 -14.375 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.057 12.742 -12.549 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.796 12.432 -15.845 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.499 12.211 -14.930 1.00 0.00 H new ATOM 496 N ARG A 33 10.248 12.094 -10.077 1.00 0.00 N ATOM 497 CA ARG A 33 11.527 12.357 -9.352 1.00 0.00 C ATOM 498 C ARG A 33 12.337 13.453 -10.049 1.00 0.00 C ATOM 499 O ARG A 33 13.298 13.959 -9.504 1.00 0.00 O ATOM 500 CB ARG A 33 12.345 11.065 -9.308 1.00 0.00 C ATOM 501 CG ARG A 33 11.605 10.034 -8.456 1.00 0.00 C ATOM 502 CD ARG A 33 12.488 8.799 -8.253 1.00 0.00 C ATOM 503 NE ARG A 33 11.636 7.631 -7.848 1.00 0.00 N ATOM 504 CZ ARG A 33 10.791 7.708 -6.849 1.00 0.00 C ATOM 505 NH1 ARG A 33 10.817 8.717 -6.022 1.00 0.00 N ATOM 506 NH2 ARG A 33 9.957 6.728 -6.644 1.00 0.00 N ATOM 0 H ARG A 33 10.136 11.135 -10.406 1.00 0.00 H new ATOM 0 HA ARG A 33 11.297 12.695 -8.341 1.00 0.00 H new ATOM 0 HB2 ARG A 33 12.496 10.681 -10.317 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.333 11.259 -8.890 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.342 10.467 -7.491 1.00 0.00 H new ATOM 0 HG3 ARG A 33 10.672 9.749 -8.942 1.00 0.00 H new ATOM 0 HD2 ARG A 33 13.025 8.568 -9.173 1.00 0.00 H new ATOM 0 HD3 ARG A 33 13.238 8.998 -7.487 1.00 0.00 H new ATOM 0 HE ARG A 33 11.717 6.755 -8.364 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.502 9.462 -6.148 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.152 8.761 -5.250 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.967 5.913 -7.258 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.294 6.776 -5.870 1.00 0.00 H new ATOM 520 N ASP A 34 11.990 13.812 -11.255 1.00 0.00 N ATOM 521 CA ASP A 34 12.780 14.850 -11.969 1.00 0.00 C ATOM 522 C ASP A 34 12.419 16.241 -11.440 1.00 0.00 C ATOM 523 O ASP A 34 13.000 17.227 -11.843 1.00 0.00 O ATOM 524 CB ASP A 34 12.492 14.775 -13.470 1.00 0.00 C ATOM 525 CG ASP A 34 11.050 15.195 -13.734 1.00 0.00 C ATOM 526 OD1 ASP A 34 10.317 15.333 -12.774 1.00 0.00 O ATOM 527 OD2 ASP A 34 10.704 15.368 -14.890 1.00 0.00 O ATOM 0 H ASP A 34 11.197 13.433 -11.773 1.00 0.00 H new ATOM 0 HA ASP A 34 13.841 14.671 -11.796 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.177 15.425 -14.015 1.00 0.00 H new ATOM 0 HB3 ASP A 34 12.659 13.761 -13.833 1.00 0.00 H new ATOM 532 N ARG A 35 11.501 16.336 -10.508 1.00 0.00 N ATOM 533 CA ARG A 35 11.172 17.677 -9.932 1.00 0.00 C ATOM 534 C ARG A 35 12.164 17.917 -8.778 1.00 0.00 C ATOM 535 O ARG A 35 12.453 17.004 -8.033 1.00 0.00 O ATOM 536 CB ARG A 35 9.716 17.708 -9.401 1.00 0.00 C ATOM 537 CG ARG A 35 8.757 18.292 -10.457 1.00 0.00 C ATOM 538 CD ARG A 35 8.786 17.438 -11.721 1.00 0.00 C ATOM 539 NE ARG A 35 7.620 17.780 -12.585 1.00 0.00 N ATOM 540 CZ ARG A 35 7.604 17.398 -13.833 1.00 0.00 C ATOM 541 NH1 ARG A 35 8.626 16.753 -14.320 1.00 0.00 N ATOM 542 NH2 ARG A 35 6.571 17.659 -14.590 1.00 0.00 N ATOM 0 H ARG A 35 10.971 15.553 -10.125 1.00 0.00 H new ATOM 0 HA ARG A 35 11.253 18.453 -10.693 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.400 16.699 -9.136 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.669 18.306 -8.491 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.744 18.330 -10.058 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.045 19.316 -10.694 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.716 17.607 -12.264 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.758 16.381 -11.458 1.00 0.00 H new ATOM 0 HE ARG A 35 6.838 18.311 -12.202 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.431 16.550 -13.727 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.621 16.451 -15.294 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.772 18.164 -14.206 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.564 17.358 -15.565 1.00 0.00 H new ATOM 556 N PRO A 36 12.699 19.111 -8.627 1.00 0.00 N ATOM 557 CA PRO A 36 13.671 19.408 -7.534 1.00 0.00 C ATOM 558 C PRO A 36 13.274 18.773 -6.194 1.00 0.00 C ATOM 559 O PRO A 36 12.232 18.164 -6.061 1.00 0.00 O ATOM 560 CB PRO A 36 13.644 20.936 -7.439 1.00 0.00 C ATOM 561 CG PRO A 36 13.308 21.404 -8.820 1.00 0.00 C ATOM 562 CD PRO A 36 12.454 20.302 -9.465 1.00 0.00 C ATOM 0 HA PRO A 36 14.658 18.998 -7.750 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.901 21.273 -6.716 1.00 0.00 H new ATOM 0 HB3 PRO A 36 14.607 21.328 -7.113 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.762 22.347 -8.787 1.00 0.00 H new ATOM 0 HG3 PRO A 36 14.214 21.580 -9.400 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.398 20.571 -9.474 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.747 20.127 -10.500 1.00 0.00 H new ATOM 570 N HIS A 37 14.098 18.927 -5.200 1.00 0.00 N ATOM 571 CA HIS A 37 13.784 18.344 -3.864 1.00 0.00 C ATOM 572 C HIS A 37 12.344 18.681 -3.484 1.00 0.00 C ATOM 573 O HIS A 37 11.756 18.047 -2.638 1.00 0.00 O ATOM 574 CB HIS A 37 14.740 18.929 -2.825 1.00 0.00 C ATOM 575 CG HIS A 37 14.662 20.432 -2.858 1.00 0.00 C ATOM 576 ND1 HIS A 37 13.832 21.149 -2.007 1.00 0.00 N ATOM 577 CD2 HIS A 37 15.288 21.366 -3.644 1.00 0.00 C ATOM 578 CE1 HIS A 37 13.979 22.452 -2.303 1.00 0.00 C ATOM 579 NE2 HIS A 37 14.856 22.641 -3.294 1.00 0.00 N ATOM 0 H HIS A 37 14.981 19.434 -5.253 1.00 0.00 H new ATOM 0 HA HIS A 37 13.900 17.261 -3.900 1.00 0.00 H new ATOM 0 HB2 HIS A 37 14.482 18.563 -1.831 1.00 0.00 H new ATOM 0 HB3 HIS A 37 15.760 18.603 -3.030 1.00 0.00 H new ATOM 0 HD2 HIS A 37 16.008 21.145 -4.418 1.00 0.00 H new ATOM 0 HE1 HIS A 37 13.452 23.250 -1.801 1.00 0.00 H new ATOM 0 HE2 HIS A 37 15.146 23.529 -3.705 1.00 0.00 H new ATOM 587 N GLU A 38 11.771 19.663 -4.107 1.00 0.00 N ATOM 588 CA GLU A 38 10.360 20.017 -3.784 1.00 0.00 C ATOM 589 C GLU A 38 9.461 18.816 -4.069 1.00 0.00 C ATOM 590 O GLU A 38 8.298 18.801 -3.720 1.00 0.00 O ATOM 591 CB GLU A 38 9.915 21.208 -4.631 1.00 0.00 C ATOM 592 CG GLU A 38 9.835 20.795 -6.103 1.00 0.00 C ATOM 593 CD GLU A 38 9.746 22.043 -6.984 1.00 0.00 C ATOM 594 OE1 GLU A 38 9.774 23.134 -6.439 1.00 0.00 O ATOM 595 OE2 GLU A 38 9.648 21.885 -8.189 1.00 0.00 O ATOM 0 H GLU A 38 12.213 20.238 -4.825 1.00 0.00 H new ATOM 0 HA GLU A 38 10.286 20.286 -2.730 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.943 21.565 -4.291 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.617 22.033 -4.513 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.713 20.208 -6.374 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.964 20.160 -6.266 1.00 0.00 H new ATOM 602 N GLU A 39 9.979 17.815 -4.722 1.00 0.00 N ATOM 603 CA GLU A 39 9.143 16.638 -5.050 1.00 0.00 C ATOM 604 C GLU A 39 8.799 15.871 -3.767 1.00 0.00 C ATOM 605 O GLU A 39 7.765 15.241 -3.676 1.00 0.00 O ATOM 606 CB GLU A 39 9.927 15.739 -6.016 1.00 0.00 C ATOM 607 CG GLU A 39 11.021 14.967 -5.262 1.00 0.00 C ATOM 608 CD GLU A 39 12.071 14.451 -6.251 1.00 0.00 C ATOM 609 OE1 GLU A 39 11.949 14.749 -7.428 1.00 0.00 O ATOM 610 OE2 GLU A 39 12.978 13.762 -5.813 1.00 0.00 O ATOM 0 H GLU A 39 10.946 17.765 -5.041 1.00 0.00 H new ATOM 0 HA GLU A 39 8.212 16.956 -5.519 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.248 15.038 -6.502 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.377 16.345 -6.802 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.492 15.615 -4.523 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.580 14.132 -4.718 1.00 0.00 H new ATOM 617 N ARG A 40 9.653 15.907 -2.776 1.00 0.00 N ATOM 618 CA ARG A 40 9.338 15.154 -1.522 1.00 0.00 C ATOM 619 C ARG A 40 8.062 15.699 -0.855 1.00 0.00 C ATOM 620 O ARG A 40 7.177 14.953 -0.494 1.00 0.00 O ATOM 621 CB ARG A 40 10.502 15.271 -0.514 1.00 0.00 C ATOM 622 CG ARG A 40 10.948 16.753 -0.330 1.00 0.00 C ATOM 623 CD ARG A 40 10.803 17.183 1.142 1.00 0.00 C ATOM 624 NE ARG A 40 11.542 16.227 2.012 1.00 0.00 N ATOM 625 CZ ARG A 40 11.770 16.521 3.263 1.00 0.00 C ATOM 626 NH1 ARG A 40 11.334 17.644 3.761 1.00 0.00 N ATOM 627 NH2 ARG A 40 12.436 15.689 4.013 1.00 0.00 N ATOM 0 H ARG A 40 10.538 16.414 -2.777 1.00 0.00 H new ATOM 0 HA ARG A 40 9.187 14.111 -1.799 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.195 14.860 0.448 1.00 0.00 H new ATOM 0 HB3 ARG A 40 11.347 14.676 -0.861 1.00 0.00 H new ATOM 0 HG2 ARG A 40 11.984 16.869 -0.648 1.00 0.00 H new ATOM 0 HG3 ARG A 40 10.345 17.402 -0.965 1.00 0.00 H new ATOM 0 HD2 ARG A 40 11.193 18.192 1.278 1.00 0.00 H new ATOM 0 HD3 ARG A 40 9.750 17.208 1.423 1.00 0.00 H new ATOM 0 HE ARG A 40 11.871 15.340 1.629 1.00 0.00 H new ATOM 0 HH11 ARG A 40 10.814 18.295 3.173 1.00 0.00 H new ATOM 0 HH12 ARG A 40 11.513 17.872 4.739 1.00 0.00 H new ATOM 0 HH21 ARG A 40 12.777 14.811 3.622 1.00 0.00 H new ATOM 0 HH22 ARG A 40 12.616 15.916 4.991 1.00 0.00 H new ATOM 641 N GLN A 41 7.963 16.984 -0.670 1.00 0.00 N ATOM 642 CA GLN A 41 6.756 17.550 -0.001 1.00 0.00 C ATOM 643 C GLN A 41 5.572 17.660 -0.963 1.00 0.00 C ATOM 644 O GLN A 41 4.455 17.348 -0.613 1.00 0.00 O ATOM 645 CB GLN A 41 7.113 18.934 0.543 1.00 0.00 C ATOM 646 CG GLN A 41 7.549 19.845 -0.610 1.00 0.00 C ATOM 647 CD GLN A 41 8.262 21.079 -0.049 1.00 0.00 C ATOM 648 OE1 GLN A 41 9.027 20.977 0.890 1.00 0.00 O ATOM 649 NE2 GLN A 41 8.058 22.247 -0.597 1.00 0.00 N ATOM 0 H GLN A 41 8.664 17.669 -0.952 1.00 0.00 H new ATOM 0 HA GLN A 41 6.456 16.882 0.806 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.254 19.366 1.056 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.914 18.851 1.277 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.213 19.303 -1.283 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.681 20.149 -1.195 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.417 22.336 -1.385 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.540 23.071 -0.237 1.00 0.00 H new ATOM 658 N THR A 42 5.794 18.128 -2.158 1.00 0.00 N ATOM 659 CA THR A 42 4.660 18.293 -3.114 1.00 0.00 C ATOM 660 C THR A 42 3.968 16.958 -3.372 1.00 0.00 C ATOM 661 O THR A 42 2.758 16.891 -3.439 1.00 0.00 O ATOM 662 CB THR A 42 5.196 18.876 -4.423 1.00 0.00 C ATOM 663 OG1 THR A 42 5.798 20.137 -4.158 1.00 0.00 O ATOM 664 CG2 THR A 42 4.064 19.049 -5.439 1.00 0.00 C ATOM 0 H THR A 42 6.709 18.404 -2.516 1.00 0.00 H new ATOM 0 HA THR A 42 3.923 18.971 -2.683 1.00 0.00 H new ATOM 0 HB THR A 42 5.934 18.191 -4.842 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.747 20.009 -3.952 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.465 19.465 -6.363 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.608 18.080 -5.645 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.311 19.725 -5.034 1.00 0.00 H new ATOM 672 N ARG A 43 4.699 15.893 -3.513 1.00 0.00 N ATOM 673 CA ARG A 43 4.013 14.593 -3.736 1.00 0.00 C ATOM 674 C ARG A 43 3.214 14.239 -2.480 1.00 0.00 C ATOM 675 O ARG A 43 2.105 13.762 -2.543 1.00 0.00 O ATOM 676 CB ARG A 43 5.045 13.481 -4.054 1.00 0.00 C ATOM 677 CG ARG A 43 5.263 13.360 -5.580 1.00 0.00 C ATOM 678 CD ARG A 43 6.030 14.589 -6.128 1.00 0.00 C ATOM 679 NE ARG A 43 5.318 15.168 -7.312 1.00 0.00 N ATOM 680 CZ ARG A 43 4.883 14.414 -8.292 1.00 0.00 C ATOM 681 NH1 ARG A 43 5.120 13.131 -8.299 1.00 0.00 N ATOM 682 NH2 ARG A 43 4.225 14.959 -9.280 1.00 0.00 N ATOM 0 H ARG A 43 5.718 15.862 -3.485 1.00 0.00 H new ATOM 0 HA ARG A 43 3.339 14.676 -4.589 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.992 13.705 -3.563 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.696 12.529 -3.655 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.821 12.450 -5.801 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.300 13.273 -6.083 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.123 15.344 -5.348 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.041 14.297 -6.412 1.00 0.00 H new ATOM 0 HE ARG A 43 5.168 16.176 -7.357 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.648 12.706 -7.537 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.777 12.553 -9.066 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.053 15.964 -9.285 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.883 14.379 -10.046 1.00 0.00 H new ATOM 696 N PHE A 44 3.797 14.460 -1.339 1.00 0.00 N ATOM 697 CA PHE A 44 3.133 14.121 -0.056 1.00 0.00 C ATOM 698 C PHE A 44 1.782 14.843 0.101 1.00 0.00 C ATOM 699 O PHE A 44 0.785 14.217 0.386 1.00 0.00 O ATOM 700 CB PHE A 44 4.114 14.527 1.058 1.00 0.00 C ATOM 701 CG PHE A 44 5.090 13.388 1.330 1.00 0.00 C ATOM 702 CD1 PHE A 44 5.851 12.838 0.284 1.00 0.00 C ATOM 703 CD2 PHE A 44 5.258 12.909 2.636 1.00 0.00 C ATOM 704 CE1 PHE A 44 6.766 11.810 0.546 1.00 0.00 C ATOM 705 CE2 PHE A 44 6.171 11.879 2.892 1.00 0.00 C ATOM 706 CZ PHE A 44 6.924 11.330 1.850 1.00 0.00 C ATOM 0 H PHE A 44 4.726 14.870 -1.241 1.00 0.00 H new ATOM 0 HA PHE A 44 2.903 13.056 -0.013 1.00 0.00 H new ATOM 0 HB2 PHE A 44 4.660 15.423 0.765 1.00 0.00 H new ATOM 0 HB3 PHE A 44 3.565 14.772 1.967 1.00 0.00 H new ATOM 0 HD1 PHE A 44 5.730 13.208 -0.723 1.00 0.00 H new ATOM 0 HD2 PHE A 44 4.683 13.334 3.445 1.00 0.00 H new ATOM 0 HE1 PHE A 44 7.349 11.388 -0.259 1.00 0.00 H new ATOM 0 HE2 PHE A 44 6.294 11.507 3.898 1.00 0.00 H new ATOM 0 HZ PHE A 44 7.627 10.536 2.052 1.00 0.00 H new ATOM 716 N GLN A 45 1.707 16.131 -0.098 1.00 0.00 N ATOM 717 CA GLN A 45 0.375 16.802 0.045 1.00 0.00 C ATOM 718 C GLN A 45 -0.547 16.405 -1.117 1.00 0.00 C ATOM 719 O GLN A 45 -1.629 15.895 -0.914 1.00 0.00 O ATOM 720 CB GLN A 45 0.519 18.339 0.112 1.00 0.00 C ATOM 721 CG GLN A 45 1.663 18.835 -0.807 1.00 0.00 C ATOM 722 CD GLN A 45 2.857 19.294 0.044 1.00 0.00 C ATOM 723 OE1 GLN A 45 3.425 20.340 -0.195 1.00 0.00 O ATOM 724 NE2 GLN A 45 3.253 18.547 1.039 1.00 0.00 N ATOM 0 H GLN A 45 2.487 16.739 -0.348 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.068 16.468 0.983 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.419 18.808 -0.185 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.716 18.644 1.140 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.972 18.036 -1.481 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.311 19.658 -1.429 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.775 17.668 1.239 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.040 18.842 1.616 1.00 0.00 H new ATOM 733 N ASN A 46 -0.135 16.663 -2.328 1.00 0.00 N ATOM 734 CA ASN A 46 -0.996 16.331 -3.501 1.00 0.00 C ATOM 735 C ASN A 46 -1.336 14.837 -3.528 1.00 0.00 C ATOM 736 O ASN A 46 -2.378 14.441 -4.021 1.00 0.00 O ATOM 737 CB ASN A 46 -0.296 16.754 -4.805 1.00 0.00 C ATOM 738 CG ASN A 46 0.947 15.896 -5.059 1.00 0.00 C ATOM 739 OD1 ASN A 46 1.062 14.803 -4.556 1.00 0.00 O ATOM 740 ND2 ASN A 46 1.896 16.359 -5.830 1.00 0.00 N ATOM 0 H ASN A 46 0.762 17.090 -2.557 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.932 16.883 -3.410 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.987 16.657 -5.642 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.012 17.805 -4.746 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.730 15.798 -6.005 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.803 17.281 -6.256 1.00 0.00 H new ATOM 747 N ALA A 47 -0.489 13.994 -3.002 1.00 0.00 N ATOM 748 CA ALA A 47 -0.813 12.540 -3.022 1.00 0.00 C ATOM 749 C ALA A 47 -1.730 12.240 -1.851 1.00 0.00 C ATOM 750 O ALA A 47 -2.649 11.452 -1.948 1.00 0.00 O ATOM 751 CB ALA A 47 0.457 11.704 -2.864 1.00 0.00 C ATOM 0 H ALA A 47 0.399 14.244 -2.566 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.287 12.293 -3.972 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.200 10.645 -2.881 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.142 11.924 -3.683 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.936 11.946 -1.915 1.00 0.00 H new ATOM 757 N CYS A 48 -1.478 12.863 -0.742 1.00 0.00 N ATOM 758 CA CYS A 48 -2.312 12.627 0.453 1.00 0.00 C ATOM 759 C CYS A 48 -3.782 12.992 0.194 1.00 0.00 C ATOM 760 O CYS A 48 -4.670 12.276 0.615 1.00 0.00 O ATOM 761 CB CYS A 48 -1.735 13.445 1.598 1.00 0.00 C ATOM 762 SG CYS A 48 -0.267 12.592 2.221 1.00 0.00 S ATOM 0 H CYS A 48 -0.720 13.533 -0.613 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.298 11.567 0.708 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.476 14.447 1.256 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.473 13.560 2.392 1.00 0.00 H new ATOM 0 HG CYS A 48 0.031 13.047 3.402 1.00 0.00 H new ATOM 768 N ARG A 49 -4.079 14.067 -0.506 1.00 0.00 N ATOM 769 CA ARG A 49 -5.528 14.359 -0.752 1.00 0.00 C ATOM 770 C ARG A 49 -6.099 13.220 -1.600 1.00 0.00 C ATOM 771 O ARG A 49 -7.092 12.617 -1.245 1.00 0.00 O ATOM 772 CB ARG A 49 -5.734 15.722 -1.440 1.00 0.00 C ATOM 773 CG ARG A 49 -4.567 16.034 -2.385 1.00 0.00 C ATOM 774 CD ARG A 49 -4.973 17.111 -3.428 1.00 0.00 C ATOM 775 NE ARG A 49 -3.930 18.186 -3.492 1.00 0.00 N ATOM 776 CZ ARG A 49 -3.601 18.877 -2.438 1.00 0.00 C ATOM 777 NH1 ARG A 49 -4.235 18.688 -1.314 1.00 0.00 N ATOM 778 NH2 ARG A 49 -2.654 19.772 -2.518 1.00 0.00 N ATOM 0 H ARG A 49 -3.411 14.728 -0.902 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.053 14.421 0.201 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.670 15.715 -1.999 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.819 16.506 -0.687 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.711 16.384 -1.809 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.256 15.124 -2.898 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.093 16.651 -4.409 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.936 17.544 -3.159 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.468 18.381 -4.380 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.987 18.000 -1.262 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.979 19.228 -0.487 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.174 19.929 -3.404 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.394 20.315 -1.694 1.00 0.00 H new ATOM 792 N ASP A 50 -5.441 12.868 -2.677 1.00 0.00 N ATOM 793 CA ASP A 50 -5.911 11.710 -3.491 1.00 0.00 C ATOM 794 C ASP A 50 -5.108 10.516 -2.981 1.00 0.00 C ATOM 795 O ASP A 50 -4.041 10.203 -3.466 1.00 0.00 O ATOM 796 CB ASP A 50 -5.634 11.945 -4.980 1.00 0.00 C ATOM 797 CG ASP A 50 -4.181 12.354 -5.151 1.00 0.00 C ATOM 798 OD1 ASP A 50 -3.503 12.422 -4.148 1.00 0.00 O ATOM 799 OD2 ASP A 50 -3.773 12.597 -6.274 1.00 0.00 O ATOM 0 H ASP A 50 -4.602 13.332 -3.025 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.986 11.555 -3.395 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.840 11.039 -5.549 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.293 12.722 -5.368 1.00 0.00 H new ATOM 804 N GLY A 51 -5.608 9.891 -1.964 1.00 0.00 N ATOM 805 CA GLY A 51 -4.898 8.748 -1.321 1.00 0.00 C ATOM 806 C GLY A 51 -4.812 7.564 -2.263 1.00 0.00 C ATOM 807 O GLY A 51 -4.732 6.424 -1.846 1.00 0.00 O ATOM 0 H GLY A 51 -6.503 10.126 -1.535 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.895 9.057 -1.027 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.421 8.456 -0.411 1.00 0.00 H new ATOM 811 N ARG A 52 -4.788 7.820 -3.531 1.00 0.00 N ATOM 812 CA ARG A 52 -4.663 6.707 -4.501 1.00 0.00 C ATOM 813 C ARG A 52 -3.169 6.518 -4.736 1.00 0.00 C ATOM 814 O ARG A 52 -2.600 7.048 -5.668 1.00 0.00 O ATOM 815 CB ARG A 52 -5.330 7.133 -5.806 1.00 0.00 C ATOM 816 CG ARG A 52 -6.775 7.542 -5.528 1.00 0.00 C ATOM 817 CD ARG A 52 -7.506 7.728 -6.853 1.00 0.00 C ATOM 818 NE ARG A 52 -6.799 8.764 -7.660 1.00 0.00 N ATOM 819 CZ ARG A 52 -7.029 8.871 -8.943 1.00 0.00 C ATOM 820 NH1 ARG A 52 -7.865 8.060 -9.534 1.00 0.00 N ATOM 821 NH2 ARG A 52 -6.412 9.782 -9.640 1.00 0.00 N ATOM 0 H ARG A 52 -4.849 8.752 -3.941 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.128 5.789 -4.142 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.784 7.965 -6.251 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.304 6.314 -6.525 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.272 6.780 -4.928 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.800 8.467 -4.952 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.540 6.785 -7.399 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.538 8.030 -6.674 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.133 9.392 -7.209 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.343 7.338 -8.995 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.040 8.149 -10.535 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.750 10.411 -9.185 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.591 9.866 -10.641 1.00 0.00 H new ATOM 835 N SER A 53 -2.523 5.786 -3.873 1.00 0.00 N ATOM 836 CA SER A 53 -1.059 5.589 -4.014 1.00 0.00 C ATOM 837 C SER A 53 -0.741 4.511 -5.037 1.00 0.00 C ATOM 838 O SER A 53 -1.323 3.444 -5.037 1.00 0.00 O ATOM 839 CB SER A 53 -0.452 5.167 -2.680 1.00 0.00 C ATOM 840 OG SER A 53 0.907 4.824 -2.890 1.00 0.00 O ATOM 0 H SER A 53 -2.949 5.315 -3.075 1.00 0.00 H new ATOM 0 HA SER A 53 -0.637 6.538 -4.344 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.530 5.978 -1.956 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.997 4.318 -2.268 1.00 0.00 H new ATOM 0 HG SER A 53 1.422 5.015 -2.078 1.00 0.00 H new ATOM 846 N GLU A 54 0.246 4.762 -5.852 1.00 0.00 N ATOM 847 CA GLU A 54 0.707 3.742 -6.831 1.00 0.00 C ATOM 848 C GLU A 54 2.171 3.494 -6.486 1.00 0.00 C ATOM 849 O GLU A 54 2.942 4.424 -6.354 1.00 0.00 O ATOM 850 CB GLU A 54 0.576 4.268 -8.263 1.00 0.00 C ATOM 851 CG GLU A 54 -0.887 4.602 -8.562 1.00 0.00 C ATOM 852 CD GLU A 54 -1.007 5.108 -10.003 1.00 0.00 C ATOM 853 OE1 GLU A 54 0.006 5.140 -10.682 1.00 0.00 O ATOM 854 OE2 GLU A 54 -2.107 5.455 -10.401 1.00 0.00 O ATOM 0 H GLU A 54 0.759 5.643 -5.880 1.00 0.00 H new ATOM 0 HA GLU A 54 0.113 2.830 -6.778 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.195 5.156 -8.392 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.939 3.521 -8.969 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.510 3.718 -8.422 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.248 5.360 -7.867 1.00 0.00 H new ATOM 861 N ILE A 55 2.563 2.271 -6.288 1.00 0.00 N ATOM 862 CA ILE A 55 3.979 2.017 -5.894 1.00 0.00 C ATOM 863 C ILE A 55 4.430 0.658 -6.385 1.00 0.00 C ATOM 864 O ILE A 55 3.635 -0.164 -6.797 1.00 0.00 O ATOM 865 CB ILE A 55 4.067 2.099 -4.377 1.00 0.00 C ATOM 866 CG1 ILE A 55 5.434 1.615 -3.879 1.00 0.00 C ATOM 867 CG2 ILE A 55 2.963 1.236 -3.765 1.00 0.00 C ATOM 868 CD1 ILE A 55 5.669 2.065 -2.428 1.00 0.00 C ATOM 0 H ILE A 55 1.975 1.442 -6.379 1.00 0.00 H new ATOM 0 HA ILE A 55 4.635 2.761 -6.345 1.00 0.00 H new ATOM 0 HB ILE A 55 3.943 3.139 -4.074 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.486 0.528 -3.942 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.222 2.010 -4.520 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.020 1.290 -2.678 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.991 1.601 -4.096 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.091 0.202 -4.084 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.644 1.713 -2.091 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.638 3.153 -2.375 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.892 1.649 -1.787 1.00 0.00 H new ATOM 880 N ALA A 56 5.714 0.430 -6.376 1.00 0.00 N ATOM 881 CA ALA A 56 6.233 -0.873 -6.883 1.00 0.00 C ATOM 882 C ALA A 56 7.451 -1.344 -6.093 1.00 0.00 C ATOM 883 O ALA A 56 8.088 -0.594 -5.383 1.00 0.00 O ATOM 884 CB ALA A 56 6.639 -0.682 -8.340 1.00 0.00 C ATOM 0 H ALA A 56 6.423 1.084 -6.042 1.00 0.00 H new ATOM 0 HA ALA A 56 5.452 -1.626 -6.776 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.023 -1.622 -8.737 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.771 -0.370 -8.922 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.413 0.083 -8.405 1.00 0.00 H new ATOM 890 N PHE A 57 7.788 -2.595 -6.259 1.00 0.00 N ATOM 891 CA PHE A 57 8.985 -3.162 -5.576 1.00 0.00 C ATOM 892 C PHE A 57 10.191 -2.938 -6.496 1.00 0.00 C ATOM 893 O PHE A 57 10.101 -3.153 -7.687 1.00 0.00 O ATOM 894 CB PHE A 57 8.802 -4.675 -5.395 1.00 0.00 C ATOM 895 CG PHE A 57 7.730 -4.983 -4.368 1.00 0.00 C ATOM 896 CD1 PHE A 57 7.912 -4.601 -3.037 1.00 0.00 C ATOM 897 CD2 PHE A 57 6.572 -5.685 -4.742 1.00 0.00 C ATOM 898 CE1 PHE A 57 6.939 -4.914 -2.076 1.00 0.00 C ATOM 899 CE2 PHE A 57 5.605 -6.001 -3.781 1.00 0.00 C ATOM 900 CZ PHE A 57 5.788 -5.616 -2.451 1.00 0.00 C ATOM 0 H PHE A 57 7.278 -3.255 -6.846 1.00 0.00 H new ATOM 0 HA PHE A 57 9.125 -2.688 -4.605 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.534 -5.128 -6.350 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.746 -5.123 -5.084 1.00 0.00 H new ATOM 0 HD1 PHE A 57 8.803 -4.064 -2.747 1.00 0.00 H new ATOM 0 HD2 PHE A 57 6.428 -5.981 -5.771 1.00 0.00 H new ATOM 0 HE1 PHE A 57 7.078 -4.614 -1.048 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.716 -6.543 -4.068 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.040 -5.860 -1.711 1.00 0.00 H new ATOM 910 N VAL A 58 11.324 -2.533 -5.985 1.00 0.00 N ATOM 911 CA VAL A 58 12.486 -2.341 -6.904 1.00 0.00 C ATOM 912 C VAL A 58 12.729 -3.677 -7.604 1.00 0.00 C ATOM 913 O VAL A 58 12.890 -3.753 -8.807 1.00 0.00 O ATOM 914 CB VAL A 58 13.728 -1.963 -6.094 1.00 0.00 C ATOM 915 CG1 VAL A 58 14.966 -1.986 -6.993 1.00 0.00 C ATOM 916 CG2 VAL A 58 13.551 -0.562 -5.505 1.00 0.00 C ATOM 0 H VAL A 58 11.494 -2.331 -5.000 1.00 0.00 H new ATOM 0 HA VAL A 58 12.284 -1.548 -7.624 1.00 0.00 H new ATOM 0 HB VAL A 58 13.858 -2.684 -5.287 1.00 0.00 H new ATOM 0 HG11 VAL A 58 15.845 -1.716 -6.408 1.00 0.00 H new ATOM 0 HG12 VAL A 58 15.098 -2.986 -7.405 1.00 0.00 H new ATOM 0 HG13 VAL A 58 14.838 -1.272 -7.807 1.00 0.00 H new ATOM 0 HG21 VAL A 58 14.437 -0.295 -4.929 1.00 0.00 H new ATOM 0 HG22 VAL A 58 13.413 0.157 -6.312 1.00 0.00 H new ATOM 0 HG23 VAL A 58 12.677 -0.549 -4.854 1.00 0.00 H new ATOM 926 N ALA A 59 12.708 -4.738 -6.846 1.00 0.00 N ATOM 927 CA ALA A 59 12.886 -6.093 -7.432 1.00 0.00 C ATOM 928 C ALA A 59 11.633 -6.460 -8.244 1.00 0.00 C ATOM 929 O ALA A 59 10.524 -6.194 -7.830 1.00 0.00 O ATOM 930 CB ALA A 59 13.094 -7.103 -6.300 1.00 0.00 C ATOM 0 H ALA A 59 12.574 -4.722 -5.835 1.00 0.00 H new ATOM 0 HA ALA A 59 13.755 -6.107 -8.090 1.00 0.00 H new ATOM 0 HB1 ALA A 59 13.225 -8.100 -6.721 1.00 0.00 H new ATOM 0 HB2 ALA A 59 13.981 -6.831 -5.728 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.224 -7.098 -5.644 1.00 0.00 H new ATOM 936 N THR A 60 11.800 -7.074 -9.387 1.00 0.00 N ATOM 937 CA THR A 60 10.615 -7.469 -10.218 1.00 0.00 C ATOM 938 C THR A 60 9.841 -6.227 -10.676 1.00 0.00 C ATOM 939 O THR A 60 9.705 -5.256 -9.956 1.00 0.00 O ATOM 940 CB THR A 60 9.682 -8.380 -9.405 1.00 0.00 C ATOM 941 OG1 THR A 60 10.462 -9.290 -8.643 1.00 0.00 O ATOM 942 CG2 THR A 60 8.763 -9.164 -10.349 1.00 0.00 C ATOM 0 H THR A 60 12.706 -7.321 -9.784 1.00 0.00 H new ATOM 0 HA THR A 60 10.975 -8.006 -11.095 1.00 0.00 H new ATOM 0 HB THR A 60 9.073 -7.768 -8.740 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.036 -10.173 -8.652 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.105 -9.807 -9.765 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.163 -8.467 -10.935 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.367 -9.776 -11.020 1.00 0.00 H new ATOM 950 N GLY A 61 9.329 -6.268 -11.878 1.00 0.00 N ATOM 951 CA GLY A 61 8.552 -5.116 -12.416 1.00 0.00 C ATOM 952 C GLY A 61 7.147 -5.107 -11.802 1.00 0.00 C ATOM 953 O GLY A 61 6.240 -4.486 -12.322 1.00 0.00 O ATOM 0 H GLY A 61 9.418 -7.059 -12.515 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.065 -4.181 -12.188 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.484 -5.186 -13.502 1.00 0.00 H new ATOM 957 N THR A 62 6.953 -5.799 -10.708 1.00 0.00 N ATOM 958 CA THR A 62 5.595 -5.834 -10.084 1.00 0.00 C ATOM 959 C THR A 62 5.223 -4.442 -9.572 1.00 0.00 C ATOM 960 O THR A 62 6.005 -3.778 -8.919 1.00 0.00 O ATOM 961 CB THR A 62 5.587 -6.823 -8.907 1.00 0.00 C ATOM 962 OG1 THR A 62 5.925 -8.119 -9.377 1.00 0.00 O ATOM 963 CG2 THR A 62 4.193 -6.858 -8.268 1.00 0.00 C ATOM 0 H THR A 62 7.670 -6.338 -10.223 1.00 0.00 H new ATOM 0 HA THR A 62 4.871 -6.153 -10.834 1.00 0.00 H new ATOM 0 HB THR A 62 6.316 -6.503 -8.162 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.922 -8.750 -8.627 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.192 -7.560 -7.434 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.934 -5.863 -7.905 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.460 -7.175 -9.010 1.00 0.00 H new ATOM 971 N ASN A 63 4.019 -4.003 -9.857 1.00 0.00 N ATOM 972 CA ASN A 63 3.556 -2.659 -9.390 1.00 0.00 C ATOM 973 C ASN A 63 2.189 -2.820 -8.734 1.00 0.00 C ATOM 974 O ASN A 63 1.247 -3.254 -9.365 1.00 0.00 O ATOM 975 CB ASN A 63 3.421 -1.708 -10.582 1.00 0.00 C ATOM 976 CG ASN A 63 3.071 -0.309 -10.072 1.00 0.00 C ATOM 977 OD1 ASN A 63 3.833 0.621 -10.243 1.00 0.00 O ATOM 978 ND2 ASN A 63 1.943 -0.120 -9.439 1.00 0.00 N ATOM 0 H ASN A 63 3.331 -4.526 -10.399 1.00 0.00 H new ATOM 0 HA ASN A 63 4.278 -2.250 -8.684 1.00 0.00 H new ATOM 0 HB2 ASN A 63 4.353 -1.680 -11.147 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.647 -2.065 -11.261 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.704 0.808 -9.089 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.302 -0.900 -9.295 1.00 0.00 H new ATOM 985 N LEU A 64 2.072 -2.480 -7.473 1.00 0.00 N ATOM 986 CA LEU A 64 0.758 -2.622 -6.764 1.00 0.00 C ATOM 987 C LEU A 64 0.209 -1.241 -6.391 1.00 0.00 C ATOM 988 O LEU A 64 0.924 -0.378 -5.922 1.00 0.00 O ATOM 989 CB LEU A 64 0.970 -3.468 -5.502 1.00 0.00 C ATOM 990 CG LEU A 64 1.696 -4.773 -5.875 1.00 0.00 C ATOM 991 CD1 LEU A 64 1.903 -5.623 -4.619 1.00 0.00 C ATOM 992 CD2 LEU A 64 0.859 -5.567 -6.890 1.00 0.00 C ATOM 0 H LEU A 64 2.831 -2.109 -6.902 1.00 0.00 H new ATOM 0 HA LEU A 64 0.036 -3.111 -7.417 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.555 -2.910 -4.771 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.010 -3.693 -5.037 1.00 0.00 H new ATOM 0 HG LEU A 64 2.662 -4.527 -6.316 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.417 -6.546 -4.885 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.504 -5.068 -3.899 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.935 -5.861 -4.177 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.380 -6.489 -7.149 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.110 -5.808 -6.453 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.713 -4.968 -7.789 1.00 0.00 H new ATOM 1004 N SER A 65 -1.072 -1.039 -6.601 1.00 0.00 N ATOM 1005 CA SER A 65 -1.723 0.270 -6.274 1.00 0.00 C ATOM 1006 C SER A 65 -2.833 0.045 -5.245 1.00 0.00 C ATOM 1007 O SER A 65 -3.540 -0.943 -5.284 1.00 0.00 O ATOM 1008 CB SER A 65 -2.314 0.873 -7.546 1.00 0.00 C ATOM 1009 OG SER A 65 -2.956 2.103 -7.238 1.00 0.00 O ATOM 0 H SER A 65 -1.703 -1.739 -6.992 1.00 0.00 H new ATOM 0 HA SER A 65 -0.982 0.954 -5.860 1.00 0.00 H new ATOM 0 HB2 SER A 65 -1.527 1.036 -8.282 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.028 0.180 -7.991 1.00 0.00 H new ATOM 0 HG SER A 65 -2.458 2.564 -6.530 1.00 0.00 H new ATOM 1015 N LEU A 66 -2.982 0.953 -4.316 1.00 0.00 N ATOM 1016 CA LEU A 66 -4.040 0.795 -3.266 1.00 0.00 C ATOM 1017 C LEU A 66 -4.690 2.147 -2.977 1.00 0.00 C ATOM 1018 O LEU A 66 -4.158 3.188 -3.309 1.00 0.00 O ATOM 1019 CB LEU A 66 -3.414 0.235 -1.980 1.00 0.00 C ATOM 1020 CG LEU A 66 -2.041 0.887 -1.729 1.00 0.00 C ATOM 1021 CD1 LEU A 66 -1.617 0.626 -0.274 1.00 0.00 C ATOM 1022 CD2 LEU A 66 -0.965 0.322 -2.705 1.00 0.00 C ATOM 0 H LEU A 66 -2.418 1.799 -4.236 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.801 0.103 -3.627 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.074 0.423 -1.134 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.302 -0.846 -2.062 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.125 1.959 -1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.646 1.085 -0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.355 1.056 0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.549 -0.448 -0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.006 0.800 -2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.871 -0.754 -2.560 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.264 0.525 -3.733 1.00 0.00 H new ATOM 1034 N GLN A 67 -5.853 2.133 -2.367 1.00 0.00 N ATOM 1035 CA GLN A 67 -6.572 3.411 -2.056 1.00 0.00 C ATOM 1036 C GLN A 67 -6.965 3.395 -0.565 1.00 0.00 C ATOM 1037 O GLN A 67 -7.802 2.616 -0.154 1.00 0.00 O ATOM 1038 CB GLN A 67 -7.861 3.492 -2.909 1.00 0.00 C ATOM 1039 CG GLN A 67 -7.689 2.755 -4.247 1.00 0.00 C ATOM 1040 CD GLN A 67 -6.556 3.376 -5.065 1.00 0.00 C ATOM 1041 OE1 GLN A 67 -6.595 4.545 -5.388 1.00 0.00 O ATOM 1042 NE2 GLN A 67 -5.548 2.631 -5.432 1.00 0.00 N ATOM 0 H GLN A 67 -6.337 1.286 -2.070 1.00 0.00 H new ATOM 0 HA GLN A 67 -5.931 4.265 -2.276 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.694 3.058 -2.356 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.112 4.536 -3.096 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -7.476 1.702 -4.063 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.619 2.798 -4.814 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -5.515 1.648 -5.161 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.794 3.032 -5.990 1.00 0.00 H new ATOM 1051 N PHE A 68 -6.376 4.238 0.250 1.00 0.00 N ATOM 1052 CA PHE A 68 -6.740 4.246 1.708 1.00 0.00 C ATOM 1053 C PHE A 68 -7.903 5.215 1.981 1.00 0.00 C ATOM 1054 O PHE A 68 -9.038 4.810 2.140 1.00 0.00 O ATOM 1055 CB PHE A 68 -5.516 4.647 2.562 1.00 0.00 C ATOM 1056 CG PHE A 68 -4.584 5.529 1.763 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -3.851 4.979 0.712 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -4.436 6.886 2.086 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -2.973 5.780 -0.022 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -3.550 7.687 1.354 1.00 0.00 C ATOM 1061 CZ PHE A 68 -2.818 7.132 0.299 1.00 0.00 C ATOM 0 H PHE A 68 -5.665 4.916 -0.025 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.057 3.239 1.981 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.846 5.173 3.458 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.987 3.753 2.893 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.962 3.933 0.465 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.005 7.313 2.899 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.412 5.353 -0.840 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.432 8.731 1.604 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.134 7.747 -0.267 1.00 0.00 H new ATOM 1071 N PHE A 69 -7.619 6.493 2.053 1.00 0.00 N ATOM 1072 CA PHE A 69 -8.690 7.506 2.338 1.00 0.00 C ATOM 1073 C PHE A 69 -8.444 8.771 1.500 1.00 0.00 C ATOM 1074 O PHE A 69 -7.869 9.729 1.977 1.00 0.00 O ATOM 1075 CB PHE A 69 -8.654 7.886 3.824 1.00 0.00 C ATOM 1076 CG PHE A 69 -9.646 9.005 4.086 1.00 0.00 C ATOM 1077 CD1 PHE A 69 -11.015 8.804 3.849 1.00 0.00 C ATOM 1078 CD2 PHE A 69 -9.197 10.249 4.559 1.00 0.00 C ATOM 1079 CE1 PHE A 69 -11.927 9.841 4.082 1.00 0.00 C ATOM 1080 CE2 PHE A 69 -10.112 11.284 4.791 1.00 0.00 C ATOM 1081 CZ PHE A 69 -11.477 11.079 4.552 1.00 0.00 C ATOM 0 H PHE A 69 -6.685 6.883 1.926 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.660 7.078 2.085 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.898 7.019 4.438 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.650 8.203 4.105 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.365 7.849 3.487 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.145 10.408 4.744 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -12.980 9.684 3.898 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -9.765 12.240 5.154 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.182 11.877 4.731 1.00 0.00 H new ATOM 1091 N PRO A 70 -8.867 8.770 0.265 1.00 0.00 N ATOM 1092 CA PRO A 70 -8.684 9.927 -0.658 1.00 0.00 C ATOM 1093 C PRO A 70 -9.835 10.945 -0.580 1.00 0.00 C ATOM 1094 O PRO A 70 -10.956 10.601 -0.257 1.00 0.00 O ATOM 1095 CB PRO A 70 -8.665 9.230 -2.013 1.00 0.00 C ATOM 1096 CG PRO A 70 -9.679 8.144 -1.865 1.00 0.00 C ATOM 1097 CD PRO A 70 -9.568 7.662 -0.411 1.00 0.00 C ATOM 0 HA PRO A 70 -7.797 10.518 -0.431 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.926 9.915 -2.820 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -7.678 8.828 -2.243 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -10.682 8.514 -2.079 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.484 7.330 -2.563 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.549 7.480 0.028 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.009 6.729 -0.339 1.00 0.00 H new ATOM 1105 N ALA A 71 -9.571 12.198 -0.871 1.00 0.00 N ATOM 1106 CA ALA A 71 -10.659 13.222 -0.802 1.00 0.00 C ATOM 1107 C ALA A 71 -11.831 12.787 -1.695 1.00 0.00 C ATOM 1108 O ALA A 71 -12.979 12.829 -1.289 1.00 0.00 O ATOM 1109 CB ALA A 71 -10.107 14.580 -1.267 1.00 0.00 C ATOM 0 H ALA A 71 -8.656 12.552 -1.151 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.016 13.315 0.224 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.897 15.330 -1.218 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.283 14.879 -0.619 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.750 14.495 -2.293 1.00 0.00 H new ATOM 1115 N SER A 72 -11.554 12.348 -2.895 1.00 0.00 N ATOM 1116 CA SER A 72 -12.652 11.882 -3.795 1.00 0.00 C ATOM 1117 C SER A 72 -12.039 11.197 -5.021 1.00 0.00 C ATOM 1118 O SER A 72 -11.179 11.744 -5.679 1.00 0.00 O ATOM 1119 CB SER A 72 -13.520 13.065 -4.236 1.00 0.00 C ATOM 1120 OG SER A 72 -14.795 12.579 -4.643 1.00 0.00 O ATOM 0 H SER A 72 -10.616 12.292 -3.291 1.00 0.00 H new ATOM 0 HA SER A 72 -13.283 11.175 -3.256 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.632 13.776 -3.417 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.041 13.598 -5.057 1.00 0.00 H new ATOM 0 HG SER A 72 -15.447 13.310 -4.618 1.00 0.00 H new ATOM 1126 N TRP A 73 -12.471 10.001 -5.328 1.00 0.00 N ATOM 1127 CA TRP A 73 -11.902 9.280 -6.505 1.00 0.00 C ATOM 1128 C TRP A 73 -12.595 9.751 -7.786 1.00 0.00 C ATOM 1129 O TRP A 73 -12.068 10.551 -8.536 1.00 0.00 O ATOM 1130 CB TRP A 73 -12.132 7.772 -6.319 1.00 0.00 C ATOM 1131 CG TRP A 73 -11.735 7.005 -7.553 1.00 0.00 C ATOM 1132 CD1 TRP A 73 -10.784 7.374 -8.447 1.00 0.00 C ATOM 1133 CD2 TRP A 73 -12.257 5.723 -8.025 1.00 0.00 C ATOM 1134 NE1 TRP A 73 -10.708 6.413 -9.442 1.00 0.00 N ATOM 1135 CE2 TRP A 73 -11.592 5.379 -9.226 1.00 0.00 C ATOM 1136 CE3 TRP A 73 -13.240 4.840 -7.538 1.00 0.00 C ATOM 1137 CZ2 TRP A 73 -11.890 4.204 -9.918 1.00 0.00 C ATOM 1138 CZ3 TRP A 73 -13.543 3.654 -8.231 1.00 0.00 C ATOM 1139 CH2 TRP A 73 -12.868 3.338 -9.419 1.00 0.00 C ATOM 0 H TRP A 73 -13.192 9.493 -4.815 1.00 0.00 H new ATOM 0 HA TRP A 73 -10.835 9.487 -6.584 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -11.556 7.416 -5.465 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -13.182 7.586 -6.094 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.184 8.270 -8.392 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -10.074 6.465 -10.239 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -13.766 5.075 -6.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -11.369 3.965 -10.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -14.298 2.984 -7.847 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -13.103 2.426 -9.948 1.00 0.00 H new ATOM 1150 N GLN A 74 -13.776 9.261 -8.040 1.00 0.00 N ATOM 1151 CA GLN A 74 -14.512 9.673 -9.273 1.00 0.00 C ATOM 1152 C GLN A 74 -15.260 10.980 -9.041 1.00 0.00 C ATOM 1153 O GLN A 74 -15.917 11.487 -9.927 1.00 0.00 O ATOM 1154 CB GLN A 74 -15.509 8.589 -9.652 1.00 0.00 C ATOM 1155 CG GLN A 74 -14.754 7.300 -9.930 1.00 0.00 C ATOM 1156 CD GLN A 74 -15.735 6.197 -10.313 1.00 0.00 C ATOM 1157 OE1 GLN A 74 -16.868 6.468 -10.661 1.00 0.00 O ATOM 1158 NE2 GLN A 74 -15.348 4.954 -10.249 1.00 0.00 N ATOM 0 H GLN A 74 -14.266 8.591 -7.447 1.00 0.00 H new ATOM 0 HA GLN A 74 -13.790 9.817 -10.077 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -16.227 8.439 -8.846 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -16.077 8.890 -10.532 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -14.035 7.455 -10.735 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -14.186 7.004 -9.048 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -14.397 4.730 -9.957 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -15.996 4.205 -10.491 1.00 0.00 H new ATOM 1167 N GLY A 75 -15.169 11.530 -7.862 1.00 0.00 N ATOM 1168 CA GLY A 75 -15.876 12.814 -7.576 1.00 0.00 C ATOM 1169 C GLY A 75 -14.853 13.941 -7.583 1.00 0.00 C ATOM 1170 O GLY A 75 -13.687 13.727 -7.845 1.00 0.00 O ATOM 0 H GLY A 75 -14.635 11.147 -7.082 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.646 12.997 -8.325 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.377 12.763 -6.609 1.00 0.00 H new ATOM 1174 N GLU A 76 -15.266 15.136 -7.277 1.00 0.00 N ATOM 1175 CA GLU A 76 -14.293 16.256 -7.252 1.00 0.00 C ATOM 1176 C GLU A 76 -13.529 16.190 -5.929 1.00 0.00 C ATOM 1177 O GLU A 76 -14.112 16.138 -4.865 1.00 0.00 O ATOM 1178 CB GLU A 76 -15.044 17.589 -7.372 1.00 0.00 C ATOM 1179 CG GLU A 76 -15.884 17.828 -6.112 1.00 0.00 C ATOM 1180 CD GLU A 76 -16.927 18.916 -6.382 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -16.604 19.858 -7.087 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -18.030 18.789 -5.877 1.00 0.00 O ATOM 0 H GLU A 76 -16.228 15.384 -7.045 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.595 16.180 -8.085 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.335 18.405 -7.507 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.687 17.576 -8.252 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -16.378 16.904 -5.813 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -15.239 18.127 -5.285 1.00 0.00 H new ATOM 1189 N GLN A 77 -12.229 16.170 -5.986 1.00 0.00 N ATOM 1190 CA GLN A 77 -11.431 16.090 -4.732 1.00 0.00 C ATOM 1191 C GLN A 77 -11.522 17.412 -3.977 1.00 0.00 C ATOM 1192 O GLN A 77 -11.804 18.452 -4.541 1.00 0.00 O ATOM 1193 CB GLN A 77 -9.963 15.773 -5.066 1.00 0.00 C ATOM 1194 CG GLN A 77 -9.557 16.461 -6.373 1.00 0.00 C ATOM 1195 CD GLN A 77 -9.968 17.939 -6.346 1.00 0.00 C ATOM 1196 OE1 GLN A 77 -10.958 18.313 -6.944 1.00 0.00 O ATOM 1197 NE2 GLN A 77 -9.246 18.801 -5.679 1.00 0.00 N ATOM 0 H GLN A 77 -11.683 16.206 -6.847 1.00 0.00 H new ATOM 0 HA GLN A 77 -11.830 15.294 -4.103 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -9.317 16.108 -4.254 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -9.828 14.695 -5.157 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -8.480 16.379 -6.516 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -10.030 15.960 -7.218 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -8.415 18.489 -5.176 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -9.514 19.785 -5.661 1.00 0.00 H new ATOM 1206 N ARG A 78 -11.265 17.375 -2.698 1.00 0.00 N ATOM 1207 CA ARG A 78 -11.307 18.612 -1.870 1.00 0.00 C ATOM 1208 C ARG A 78 -9.862 19.086 -1.669 1.00 0.00 C ATOM 1209 O ARG A 78 -8.927 18.341 -1.886 1.00 0.00 O ATOM 1210 CB ARG A 78 -11.953 18.307 -0.510 1.00 0.00 C ATOM 1211 CG ARG A 78 -13.311 17.602 -0.697 1.00 0.00 C ATOM 1212 CD ARG A 78 -14.352 18.556 -1.302 1.00 0.00 C ATOM 1213 NE ARG A 78 -14.415 19.806 -0.494 1.00 0.00 N ATOM 1214 CZ ARG A 78 -15.031 20.859 -0.965 1.00 0.00 C ATOM 1215 NH1 ARG A 78 -15.645 20.800 -2.118 1.00 0.00 N ATOM 1216 NH2 ARG A 78 -15.049 21.966 -0.275 1.00 0.00 N ATOM 0 H ARG A 78 -11.024 16.527 -2.185 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.897 19.384 -2.364 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.289 17.676 0.080 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -12.092 19.233 0.048 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -13.188 16.735 -1.346 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.668 17.232 0.264 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -14.089 18.791 -2.333 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -15.330 18.076 -1.324 1.00 0.00 H new ATOM 0 HE ARG A 78 -13.978 19.841 0.427 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -15.644 19.931 -2.652 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -16.125 21.623 -2.483 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.583 22.010 0.631 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -15.529 22.788 -0.642 1.00 0.00 H new ATOM 1230 N GLN A 79 -9.668 20.316 -1.288 1.00 0.00 N ATOM 1231 CA GLN A 79 -8.275 20.826 -1.106 1.00 0.00 C ATOM 1232 C GLN A 79 -7.726 20.400 0.260 1.00 0.00 C ATOM 1233 O GLN A 79 -6.570 20.622 0.560 1.00 0.00 O ATOM 1234 CB GLN A 79 -8.280 22.361 -1.199 1.00 0.00 C ATOM 1235 CG GLN A 79 -9.590 22.904 -0.624 1.00 0.00 C ATOM 1236 CD GLN A 79 -9.834 22.303 0.763 1.00 0.00 C ATOM 1237 OE1 GLN A 79 -9.278 22.755 1.743 1.00 0.00 O ATOM 1238 NE2 GLN A 79 -10.642 21.285 0.882 1.00 0.00 N ATOM 0 H GLN A 79 -10.408 20.991 -1.094 1.00 0.00 H new ATOM 0 HA GLN A 79 -7.639 20.409 -1.887 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.432 22.772 -0.651 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -8.169 22.673 -2.237 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -9.546 23.991 -0.557 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.419 22.659 -1.288 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -11.109 20.906 0.058 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.807 20.869 1.799 1.00 0.00 H new ATOM 1247 N THR A 80 -8.523 19.777 1.091 1.00 0.00 N ATOM 1248 CA THR A 80 -7.996 19.342 2.416 1.00 0.00 C ATOM 1249 C THR A 80 -7.293 17.985 2.231 1.00 0.00 C ATOM 1250 O THR A 80 -7.839 17.096 1.607 1.00 0.00 O ATOM 1251 CB THR A 80 -9.143 19.195 3.435 1.00 0.00 C ATOM 1252 OG1 THR A 80 -8.587 19.077 4.738 1.00 0.00 O ATOM 1253 CG2 THR A 80 -9.975 17.942 3.133 1.00 0.00 C ATOM 0 H THR A 80 -9.502 19.554 0.912 1.00 0.00 H new ATOM 0 HA THR A 80 -7.298 20.088 2.795 1.00 0.00 H new ATOM 0 HB THR A 80 -9.789 20.071 3.371 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.309 18.985 5.394 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.780 17.855 3.863 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.400 18.020 2.132 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.337 17.060 3.189 1.00 0.00 H new ATOM 1261 N PRO A 81 -6.102 17.806 2.755 1.00 0.00 N ATOM 1262 CA PRO A 81 -5.370 16.514 2.617 1.00 0.00 C ATOM 1263 C PRO A 81 -5.954 15.456 3.556 1.00 0.00 C ATOM 1264 O PRO A 81 -6.893 15.714 4.282 1.00 0.00 O ATOM 1265 CB PRO A 81 -3.935 16.872 3.018 1.00 0.00 C ATOM 1266 CG PRO A 81 -4.089 17.997 3.990 1.00 0.00 C ATOM 1267 CD PRO A 81 -5.320 18.788 3.531 1.00 0.00 C ATOM 0 HA PRO A 81 -5.436 16.091 1.615 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.426 16.022 3.472 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.344 17.173 2.153 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.223 17.621 5.004 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -3.201 18.629 3.999 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.888 19.171 4.379 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.039 19.647 2.921 1.00 0.00 H new ATOM 1275 N SER A 82 -5.404 14.274 3.566 1.00 0.00 N ATOM 1276 CA SER A 82 -5.932 13.220 4.478 1.00 0.00 C ATOM 1277 C SER A 82 -5.264 13.372 5.844 1.00 0.00 C ATOM 1278 O SER A 82 -4.074 13.201 5.988 1.00 0.00 O ATOM 1279 CB SER A 82 -5.609 11.843 3.903 1.00 0.00 C ATOM 1280 OG SER A 82 -5.827 10.856 4.902 1.00 0.00 O ATOM 0 H SER A 82 -4.615 13.992 2.985 1.00 0.00 H new ATOM 0 HA SER A 82 -7.012 13.323 4.580 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.236 11.643 3.034 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.574 11.811 3.563 1.00 0.00 H new ATOM 0 HG SER A 82 -5.622 9.970 4.537 1.00 0.00 H new ATOM 1286 N ARG A 83 -6.024 13.688 6.853 1.00 0.00 N ATOM 1287 CA ARG A 83 -5.436 13.853 8.210 1.00 0.00 C ATOM 1288 C ARG A 83 -4.778 12.549 8.639 1.00 0.00 C ATOM 1289 O ARG A 83 -3.833 12.538 9.401 1.00 0.00 O ATOM 1290 CB ARG A 83 -6.550 14.224 9.204 1.00 0.00 C ATOM 1291 CG ARG A 83 -5.962 14.488 10.618 1.00 0.00 C ATOM 1292 CD ARG A 83 -6.136 13.251 11.527 1.00 0.00 C ATOM 1293 NE ARG A 83 -5.451 13.478 12.835 1.00 0.00 N ATOM 1294 CZ ARG A 83 -5.778 12.757 13.879 1.00 0.00 C ATOM 1295 NH1 ARG A 83 -6.687 11.828 13.774 1.00 0.00 N ATOM 1296 NH2 ARG A 83 -5.196 12.964 15.033 1.00 0.00 N ATOM 0 H ARG A 83 -7.031 13.840 6.796 1.00 0.00 H new ATOM 0 HA ARG A 83 -4.687 14.645 8.193 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.076 15.111 8.853 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.282 13.418 9.254 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.904 14.738 10.536 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.458 15.348 11.068 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.196 13.056 11.691 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.722 12.369 11.038 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.729 14.194 12.915 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.145 11.661 12.878 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -6.940 11.268 14.588 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.484 13.689 15.122 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.454 12.400 15.843 1.00 0.00 H new ATOM 1310 N GLU A 84 -5.284 11.449 8.172 1.00 0.00 N ATOM 1311 CA GLU A 84 -4.699 10.140 8.568 1.00 0.00 C ATOM 1312 C GLU A 84 -3.212 10.077 8.188 1.00 0.00 C ATOM 1313 O GLU A 84 -2.426 9.434 8.844 1.00 0.00 O ATOM 1314 CB GLU A 84 -5.463 9.009 7.873 1.00 0.00 C ATOM 1315 CG GLU A 84 -6.906 8.976 8.385 1.00 0.00 C ATOM 1316 CD GLU A 84 -7.661 7.847 7.686 1.00 0.00 C ATOM 1317 OE1 GLU A 84 -7.061 7.182 6.861 1.00 0.00 O ATOM 1318 OE2 GLU A 84 -8.829 7.666 7.990 1.00 0.00 O ATOM 0 H GLU A 84 -6.077 11.396 7.533 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.784 10.028 9.649 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.452 9.159 6.793 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.975 8.054 8.067 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.918 8.824 9.464 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.395 9.931 8.192 1.00 0.00 H new ATOM 1325 N TYR A 85 -2.819 10.720 7.125 1.00 0.00 N ATOM 1326 CA TYR A 85 -1.381 10.669 6.716 1.00 0.00 C ATOM 1327 C TYR A 85 -0.500 11.449 7.709 1.00 0.00 C ATOM 1328 O TYR A 85 0.618 11.060 7.992 1.00 0.00 O ATOM 1329 CB TYR A 85 -1.266 11.202 5.263 1.00 0.00 C ATOM 1330 CG TYR A 85 -0.488 12.511 5.128 1.00 0.00 C ATOM 1331 CD1 TYR A 85 0.910 12.533 5.264 1.00 0.00 C ATOM 1332 CD2 TYR A 85 -1.168 13.690 4.776 1.00 0.00 C ATOM 1333 CE1 TYR A 85 1.619 13.732 5.049 1.00 0.00 C ATOM 1334 CE2 TYR A 85 -0.461 14.881 4.573 1.00 0.00 C ATOM 1335 CZ TYR A 85 0.931 14.902 4.705 1.00 0.00 C ATOM 1336 OH TYR A 85 1.627 16.076 4.491 1.00 0.00 O ATOM 0 H TYR A 85 -3.425 11.277 6.522 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.015 9.642 6.737 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -0.784 10.442 4.648 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.269 11.347 4.862 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.441 11.632 5.533 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.242 13.677 4.662 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.694 13.748 5.150 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.992 15.785 4.314 1.00 0.00 H new ATOM 0 HH TYR A 85 0.998 16.791 4.260 1.00 0.00 H new ATOM 1346 N VAL A 86 -0.986 12.536 8.249 1.00 0.00 N ATOM 1347 CA VAL A 86 -0.159 13.332 9.216 1.00 0.00 C ATOM 1348 C VAL A 86 -0.357 12.822 10.629 1.00 0.00 C ATOM 1349 O VAL A 86 0.224 13.331 11.562 1.00 0.00 O ATOM 1350 CB VAL A 86 -0.532 14.825 9.162 1.00 0.00 C ATOM 1351 CG1 VAL A 86 0.664 15.679 9.607 1.00 0.00 C ATOM 1352 CG2 VAL A 86 -0.898 15.205 7.735 1.00 0.00 C ATOM 0 H VAL A 86 -1.917 12.910 8.065 1.00 0.00 H new ATOM 0 HA VAL A 86 0.886 13.216 8.930 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.378 15.002 9.826 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.393 16.734 9.566 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.940 15.414 10.628 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.509 15.496 8.943 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.162 16.262 7.696 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.047 15.019 7.079 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.747 14.606 7.406 1.00 0.00 H new ATOM 1362 N ASP A 87 -1.158 11.825 10.805 1.00 0.00 N ATOM 1363 CA ASP A 87 -1.368 11.296 12.180 1.00 0.00 C ATOM 1364 C ASP A 87 -0.336 10.202 12.413 1.00 0.00 C ATOM 1365 O ASP A 87 -0.218 9.652 13.490 1.00 0.00 O ATOM 1366 CB ASP A 87 -2.794 10.741 12.318 1.00 0.00 C ATOM 1367 CG ASP A 87 -2.961 9.415 11.557 1.00 0.00 C ATOM 1368 OD1 ASP A 87 -1.983 8.915 11.031 1.00 0.00 O ATOM 1369 OD2 ASP A 87 -4.072 8.913 11.532 1.00 0.00 O ATOM 0 H ASP A 87 -1.677 11.350 10.066 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.249 12.086 12.922 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.025 10.588 13.372 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.508 11.472 11.938 1.00 0.00 H new ATOM 1374 N LEU A 88 0.444 9.912 11.396 1.00 0.00 N ATOM 1375 CA LEU A 88 1.523 8.883 11.518 1.00 0.00 C ATOM 1376 C LEU A 88 2.829 9.524 11.077 1.00 0.00 C ATOM 1377 O LEU A 88 3.887 8.934 11.164 1.00 0.00 O ATOM 1378 CB LEU A 88 1.218 7.630 10.667 1.00 0.00 C ATOM 1379 CG LEU A 88 0.536 7.993 9.325 1.00 0.00 C ATOM 1380 CD1 LEU A 88 1.599 8.364 8.286 1.00 0.00 C ATOM 1381 CD2 LEU A 88 -0.253 6.783 8.801 1.00 0.00 C ATOM 0 H LEU A 88 0.376 10.351 10.478 1.00 0.00 H new ATOM 0 HA LEU A 88 1.590 8.548 12.553 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.145 7.092 10.469 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.573 6.957 11.231 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.135 8.836 9.490 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.114 8.618 7.344 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.172 9.220 8.642 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.268 7.518 8.132 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.732 7.042 7.857 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.427 5.945 8.646 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.014 6.502 9.529 1.00 0.00 H new ATOM 1393 N GLU A 89 2.760 10.746 10.630 1.00 0.00 N ATOM 1394 CA GLU A 89 3.992 11.454 10.209 1.00 0.00 C ATOM 1395 C GLU A 89 4.592 12.058 11.470 1.00 0.00 C ATOM 1396 O GLU A 89 5.787 12.158 11.628 1.00 0.00 O ATOM 1397 CB GLU A 89 3.612 12.553 9.214 1.00 0.00 C ATOM 1398 CG GLU A 89 4.867 13.138 8.563 1.00 0.00 C ATOM 1399 CD GLU A 89 4.451 14.252 7.599 1.00 0.00 C ATOM 1400 OE1 GLU A 89 3.673 15.100 8.007 1.00 0.00 O ATOM 1401 OE2 GLU A 89 4.900 14.231 6.466 1.00 0.00 O ATOM 0 H GLU A 89 1.898 11.284 10.539 1.00 0.00 H new ATOM 0 HA GLU A 89 4.707 10.789 9.726 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.952 12.146 8.447 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.059 13.341 9.726 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.539 13.531 9.326 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.412 12.360 8.028 1.00 0.00 H new ATOM 1408 N ARG A 90 3.748 12.428 12.390 1.00 0.00 N ATOM 1409 CA ARG A 90 4.226 12.992 13.676 1.00 0.00 C ATOM 1410 C ARG A 90 5.037 11.936 14.432 1.00 0.00 C ATOM 1411 O ARG A 90 5.870 12.250 15.260 1.00 0.00 O ATOM 1412 CB ARG A 90 3.021 13.424 14.518 1.00 0.00 C ATOM 1413 CG ARG A 90 2.286 14.549 13.790 1.00 0.00 C ATOM 1414 CD ARG A 90 1.099 15.025 14.628 1.00 0.00 C ATOM 1415 NE ARG A 90 1.586 15.749 15.833 1.00 0.00 N ATOM 1416 CZ ARG A 90 0.753 16.488 16.517 1.00 0.00 C ATOM 1417 NH1 ARG A 90 -0.494 16.568 16.144 1.00 0.00 N ATOM 1418 NH2 ARG A 90 1.164 17.139 17.571 1.00 0.00 N ATOM 0 H ARG A 90 2.734 12.362 12.302 1.00 0.00 H new ATOM 0 HA ARG A 90 4.861 13.856 13.483 1.00 0.00 H new ATOM 0 HB2 ARG A 90 2.352 12.579 14.679 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.350 13.762 15.501 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.967 15.379 13.604 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.939 14.199 12.818 1.00 0.00 H new ATOM 0 HD2 ARG A 90 0.462 15.679 14.033 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.489 14.173 14.927 1.00 0.00 H new ATOM 0 HE ARG A 90 2.561 15.669 16.123 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -0.814 16.055 15.322 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -1.149 17.143 16.674 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.139 17.072 17.864 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.510 17.715 18.102 1.00 0.00 H new ATOM 1432 N GLU A 91 4.762 10.686 14.181 1.00 0.00 N ATOM 1433 CA GLU A 91 5.474 9.593 14.916 1.00 0.00 C ATOM 1434 C GLU A 91 6.903 9.371 14.379 1.00 0.00 C ATOM 1435 O GLU A 91 7.795 10.157 14.622 1.00 0.00 O ATOM 1436 CB GLU A 91 4.655 8.303 14.773 1.00 0.00 C ATOM 1437 CG GLU A 91 5.215 7.203 15.690 1.00 0.00 C ATOM 1438 CD GLU A 91 4.733 7.418 17.126 1.00 0.00 C ATOM 1439 OE1 GLU A 91 3.939 8.319 17.338 1.00 0.00 O ATOM 1440 OE2 GLU A 91 5.159 6.668 17.990 1.00 0.00 O ATOM 0 H GLU A 91 4.074 10.370 13.498 1.00 0.00 H new ATOM 0 HA GLU A 91 5.567 9.879 15.964 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.612 8.498 15.024 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.675 7.966 13.737 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.895 6.224 15.334 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.305 7.213 15.659 1.00 0.00 H new ATOM 1447 N ALA A 92 7.127 8.282 13.684 1.00 0.00 N ATOM 1448 CA ALA A 92 8.495 7.976 13.166 1.00 0.00 C ATOM 1449 C ALA A 92 9.013 9.117 12.294 1.00 0.00 C ATOM 1450 O ALA A 92 10.152 9.107 11.868 1.00 0.00 O ATOM 1451 CB ALA A 92 8.446 6.692 12.330 1.00 0.00 C ATOM 0 H ALA A 92 6.416 7.589 13.453 1.00 0.00 H new ATOM 0 HA ALA A 92 9.166 7.850 14.016 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.443 6.466 11.951 1.00 0.00 H new ATOM 0 HB2 ALA A 92 8.099 5.866 12.951 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.762 6.829 11.493 1.00 0.00 H new ATOM 1457 N GLY A 93 8.193 10.081 11.992 1.00 0.00 N ATOM 1458 CA GLY A 93 8.668 11.188 11.115 1.00 0.00 C ATOM 1459 C GLY A 93 8.606 10.675 9.680 1.00 0.00 C ATOM 1460 O GLY A 93 9.259 11.181 8.788 1.00 0.00 O ATOM 0 H GLY A 93 7.226 10.153 12.309 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.042 12.072 11.236 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.685 11.479 11.377 1.00 0.00 H new ATOM 1464 N LYS A 94 7.837 9.636 9.471 1.00 0.00 N ATOM 1465 CA LYS A 94 7.726 9.004 8.123 1.00 0.00 C ATOM 1466 C LYS A 94 6.248 8.877 7.747 1.00 0.00 C ATOM 1467 O LYS A 94 5.383 8.904 8.596 1.00 0.00 O ATOM 1468 CB LYS A 94 8.313 7.593 8.214 1.00 0.00 C ATOM 1469 CG LYS A 94 9.697 7.666 8.853 1.00 0.00 C ATOM 1470 CD LYS A 94 10.398 6.308 8.740 1.00 0.00 C ATOM 1471 CE LYS A 94 11.724 6.361 9.507 1.00 0.00 C ATOM 1472 NZ LYS A 94 12.371 5.016 9.495 1.00 0.00 N ATOM 0 H LYS A 94 7.271 9.191 10.193 1.00 0.00 H new ATOM 0 HA LYS A 94 8.252 9.606 7.381 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.660 6.952 8.805 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.381 7.150 7.221 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.294 8.435 8.362 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.608 7.953 9.901 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.761 5.522 9.145 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.579 6.064 7.693 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.387 7.097 9.054 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.548 6.680 10.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 13.270 5.058 10.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.741 4.323 9.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.554 4.728 8.513 1.00 0.00 H new ATOM 1486 N VAL A 95 5.956 8.715 6.484 1.00 0.00 N ATOM 1487 CA VAL A 95 4.535 8.561 6.041 1.00 0.00 C ATOM 1488 C VAL A 95 4.365 7.165 5.460 1.00 0.00 C ATOM 1489 O VAL A 95 5.093 6.768 4.571 1.00 0.00 O ATOM 1490 CB VAL A 95 4.237 9.613 4.962 1.00 0.00 C ATOM 1491 CG1 VAL A 95 2.903 9.321 4.274 1.00 0.00 C ATOM 1492 CG2 VAL A 95 4.171 10.996 5.616 1.00 0.00 C ATOM 0 H VAL A 95 6.645 8.682 5.733 1.00 0.00 H new ATOM 0 HA VAL A 95 3.851 8.699 6.878 1.00 0.00 H new ATOM 0 HB VAL A 95 5.030 9.583 4.215 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.712 10.078 3.514 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.943 8.338 3.805 1.00 0.00 H new ATOM 0 HG13 VAL A 95 2.101 9.338 5.012 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.960 11.748 4.856 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.380 11.006 6.366 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.126 11.219 6.092 1.00 0.00 H new ATOM 1502 N TYR A 96 3.408 6.413 5.946 1.00 0.00 N ATOM 1503 CA TYR A 96 3.198 5.039 5.401 1.00 0.00 C ATOM 1504 C TYR A 96 1.719 4.728 5.302 1.00 0.00 C ATOM 1505 O TYR A 96 0.888 5.372 5.911 1.00 0.00 O ATOM 1506 CB TYR A 96 3.901 4.005 6.270 1.00 0.00 C ATOM 1507 CG TYR A 96 3.258 3.854 7.625 1.00 0.00 C ATOM 1508 CD1 TYR A 96 3.708 4.634 8.693 1.00 0.00 C ATOM 1509 CD2 TYR A 96 2.253 2.895 7.828 1.00 0.00 C ATOM 1510 CE1 TYR A 96 3.155 4.473 9.962 1.00 0.00 C ATOM 1511 CE2 TYR A 96 1.698 2.721 9.101 1.00 0.00 C ATOM 1512 CZ TYR A 96 2.148 3.512 10.173 1.00 0.00 C ATOM 1513 OH TYR A 96 1.603 3.344 11.432 1.00 0.00 O ATOM 0 H TYR A 96 2.768 6.690 6.691 1.00 0.00 H new ATOM 0 HA TYR A 96 3.628 4.998 4.400 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.895 3.042 5.760 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.945 4.292 6.397 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.487 5.365 8.535 1.00 0.00 H new ATOM 0 HD2 TYR A 96 1.908 2.291 7.002 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.499 5.085 10.783 1.00 0.00 H new ATOM 0 HE2 TYR A 96 0.927 1.982 9.259 1.00 0.00 H new ATOM 0 HH TYR A 96 0.921 2.641 11.402 1.00 0.00 H new ATOM 1523 N LEU A 97 1.386 3.754 4.500 1.00 0.00 N ATOM 1524 CA LEU A 97 -0.046 3.381 4.297 1.00 0.00 C ATOM 1525 C LEU A 97 -0.198 1.853 4.339 1.00 0.00 C ATOM 1526 O LEU A 97 0.678 1.107 3.913 1.00 0.00 O ATOM 1527 CB LEU A 97 -0.526 3.935 2.934 1.00 0.00 C ATOM 1528 CG LEU A 97 0.675 4.067 1.955 1.00 0.00 C ATOM 1529 CD1 LEU A 97 0.194 3.895 0.508 1.00 0.00 C ATOM 1530 CD2 LEU A 97 1.350 5.458 2.106 1.00 0.00 C ATOM 0 H LEU A 97 2.052 3.193 3.970 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.655 3.810 5.092 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.280 3.272 2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.999 4.907 3.074 1.00 0.00 H new ATOM 0 HG LEU A 97 1.400 3.289 2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.042 3.989 -0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.258 2.910 0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.544 4.663 0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.188 5.533 1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.625 6.241 1.883 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.711 5.578 3.127 1.00 0.00 H new ATOM 1542 N LYS A 98 -1.322 1.394 4.844 1.00 0.00 N ATOM 1543 CA LYS A 98 -1.591 -0.072 4.937 1.00 0.00 C ATOM 1544 C LYS A 98 -3.039 -0.357 4.509 1.00 0.00 C ATOM 1545 O LYS A 98 -3.955 0.341 4.893 1.00 0.00 O ATOM 1546 CB LYS A 98 -1.366 -0.520 6.387 1.00 0.00 C ATOM 1547 CG LYS A 98 -2.386 0.151 7.309 1.00 0.00 C ATOM 1548 CD LYS A 98 -1.909 0.058 8.772 1.00 0.00 C ATOM 1549 CE LYS A 98 -3.108 0.163 9.720 1.00 0.00 C ATOM 1550 NZ LYS A 98 -2.645 0.534 11.088 1.00 0.00 N ATOM 0 H LYS A 98 -2.073 1.986 5.200 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.919 -0.622 4.278 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.457 -1.604 6.459 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.355 -0.263 6.702 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.515 1.195 7.025 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.358 -0.331 7.203 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.388 -0.885 8.934 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -1.197 0.856 8.983 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.811 0.910 9.350 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.641 -0.787 9.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.464 0.603 11.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.991 -0.193 11.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.156 1.451 11.052 1.00 0.00 H new ATOM 1564 N ALA A 99 -3.248 -1.376 3.704 1.00 0.00 N ATOM 1565 CA ALA A 99 -4.643 -1.694 3.247 1.00 0.00 C ATOM 1566 C ALA A 99 -4.717 -3.160 2.775 1.00 0.00 C ATOM 1567 O ALA A 99 -3.771 -3.661 2.203 1.00 0.00 O ATOM 1568 CB ALA A 99 -5.005 -0.777 2.073 1.00 0.00 C ATOM 0 H ALA A 99 -2.521 -1.996 3.347 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.337 -1.542 4.074 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -6.017 -1.001 1.735 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.952 0.263 2.394 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.304 -0.940 1.254 1.00 0.00 H new ATOM 1574 N PRO A 100 -5.832 -3.844 2.957 1.00 0.00 N ATOM 1575 CA PRO A 100 -5.984 -5.250 2.476 1.00 0.00 C ATOM 1576 C PRO A 100 -6.434 -5.283 1.008 1.00 0.00 C ATOM 1577 O PRO A 100 -7.550 -4.919 0.694 1.00 0.00 O ATOM 1578 CB PRO A 100 -7.084 -5.795 3.378 1.00 0.00 C ATOM 1579 CG PRO A 100 -7.985 -4.623 3.585 1.00 0.00 C ATOM 1580 CD PRO A 100 -7.067 -3.388 3.640 1.00 0.00 C ATOM 0 HA PRO A 100 -5.056 -5.821 2.518 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -7.610 -6.627 2.910 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -6.682 -6.163 4.322 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.707 -4.537 2.773 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -8.555 -4.727 4.508 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -7.514 -2.533 3.133 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -6.868 -3.081 4.667 1.00 0.00 H new ATOM 1588 N MET A 101 -5.581 -5.701 0.105 1.00 0.00 N ATOM 1589 CA MET A 101 -5.974 -5.737 -1.352 1.00 0.00 C ATOM 1590 C MET A 101 -6.205 -7.176 -1.815 1.00 0.00 C ATOM 1591 O MET A 101 -5.377 -8.034 -1.607 1.00 0.00 O ATOM 1592 CB MET A 101 -4.843 -5.129 -2.197 1.00 0.00 C ATOM 1593 CG MET A 101 -5.248 -5.106 -3.681 1.00 0.00 C ATOM 1594 SD MET A 101 -6.558 -3.878 -3.933 1.00 0.00 S ATOM 1595 CE MET A 101 -5.552 -2.381 -3.771 1.00 0.00 C ATOM 0 H MET A 101 -4.633 -6.019 0.305 1.00 0.00 H new ATOM 0 HA MET A 101 -6.896 -5.168 -1.475 1.00 0.00 H new ATOM 0 HB2 MET A 101 -4.626 -4.117 -1.855 1.00 0.00 H new ATOM 0 HB3 MET A 101 -3.930 -5.711 -2.070 1.00 0.00 H new ATOM 0 HG2 MET A 101 -4.384 -4.864 -4.301 1.00 0.00 H new ATOM 0 HG3 MET A 101 -5.595 -6.092 -3.989 1.00 0.00 H new ATOM 0 HE1 MET A 101 -5.831 -1.852 -2.860 1.00 0.00 H new ATOM 0 HE2 MET A 101 -4.498 -2.654 -3.723 1.00 0.00 H new ATOM 0 HE3 MET A 101 -5.720 -1.735 -4.632 1.00 0.00 H new ATOM 1605 N ILE A 102 -7.306 -7.446 -2.490 1.00 0.00 N ATOM 1606 CA ILE A 102 -7.535 -8.831 -3.007 1.00 0.00 C ATOM 1607 C ILE A 102 -6.964 -8.968 -4.421 1.00 0.00 C ATOM 1608 O ILE A 102 -7.209 -8.170 -5.304 1.00 0.00 O ATOM 1609 CB ILE A 102 -9.034 -9.225 -2.972 1.00 0.00 C ATOM 1610 CG1 ILE A 102 -9.925 -8.019 -3.281 1.00 0.00 C ATOM 1611 CG2 ILE A 102 -9.419 -9.789 -1.595 1.00 0.00 C ATOM 1612 CD1 ILE A 102 -11.398 -8.441 -3.142 1.00 0.00 C ATOM 0 H ILE A 102 -8.043 -6.773 -2.700 1.00 0.00 H new ATOM 0 HA ILE A 102 -7.011 -9.523 -2.347 1.00 0.00 H new ATOM 0 HB ILE A 102 -9.186 -9.990 -3.733 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -9.701 -7.200 -2.598 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -9.730 -7.655 -4.290 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -10.475 -10.058 -1.595 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -8.819 -10.674 -1.383 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -9.237 -9.035 -0.829 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -12.043 -7.589 -3.360 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -11.613 -9.248 -3.843 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -11.583 -8.785 -2.125 1.00 0.00 H new ATOM 1624 N LEU A 103 -6.202 -10.012 -4.610 1.00 0.00 N ATOM 1625 CA LEU A 103 -5.568 -10.318 -5.922 1.00 0.00 C ATOM 1626 C LEU A 103 -6.332 -11.511 -6.508 1.00 0.00 C ATOM 1627 O LEU A 103 -7.259 -11.992 -5.894 1.00 0.00 O ATOM 1628 CB LEU A 103 -4.098 -10.707 -5.692 1.00 0.00 C ATOM 1629 CG LEU A 103 -3.236 -9.460 -5.420 1.00 0.00 C ATOM 1630 CD1 LEU A 103 -3.566 -8.864 -4.041 1.00 0.00 C ATOM 1631 CD2 LEU A 103 -1.754 -9.859 -5.459 1.00 0.00 C ATOM 0 H LEU A 103 -5.986 -10.690 -3.879 1.00 0.00 H new ATOM 0 HA LEU A 103 -5.601 -9.461 -6.595 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -4.027 -11.394 -4.849 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -3.716 -11.235 -6.566 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.446 -8.711 -6.183 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.947 -7.984 -3.867 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.618 -8.580 -4.010 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.368 -9.606 -3.267 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.136 -8.982 -5.267 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.560 -10.613 -4.696 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.512 -10.266 -6.441 1.00 0.00 H new ATOM 1643 N ASN A 104 -5.981 -11.998 -7.675 1.00 0.00 N ATOM 1644 CA ASN A 104 -6.744 -13.165 -8.225 1.00 0.00 C ATOM 1645 C ASN A 104 -6.493 -14.374 -7.315 1.00 0.00 C ATOM 1646 O ASN A 104 -5.863 -15.344 -7.695 1.00 0.00 O ATOM 1647 CB ASN A 104 -6.272 -13.483 -9.648 1.00 0.00 C ATOM 1648 CG ASN A 104 -7.259 -14.446 -10.325 1.00 0.00 C ATOM 1649 OD1 ASN A 104 -7.200 -15.642 -10.115 1.00 0.00 O ATOM 1650 ND2 ASN A 104 -8.166 -13.975 -11.141 1.00 0.00 N ATOM 0 H ASN A 104 -5.220 -11.650 -8.258 1.00 0.00 H new ATOM 0 HA ASN A 104 -7.808 -12.930 -8.259 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.192 -12.563 -10.228 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -5.278 -13.929 -9.619 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -8.820 -14.610 -11.598 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -8.219 -12.972 -11.320 1.00 0.00 H new ATOM 1657 N GLY A 105 -6.989 -14.305 -6.111 1.00 0.00 N ATOM 1658 CA GLY A 105 -6.817 -15.406 -5.128 1.00 0.00 C ATOM 1659 C GLY A 105 -7.576 -15.028 -3.855 1.00 0.00 C ATOM 1660 O GLY A 105 -8.748 -15.312 -3.707 1.00 0.00 O ATOM 0 H GLY A 105 -7.521 -13.508 -5.760 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.198 -16.343 -5.535 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.760 -15.560 -4.910 1.00 0.00 H new ATOM 1664 N VAL A 106 -6.911 -14.362 -2.945 1.00 0.00 N ATOM 1665 CA VAL A 106 -7.574 -13.928 -1.679 1.00 0.00 C ATOM 1666 C VAL A 106 -6.882 -12.642 -1.190 1.00 0.00 C ATOM 1667 O VAL A 106 -5.988 -12.133 -1.836 1.00 0.00 O ATOM 1668 CB VAL A 106 -7.495 -15.048 -0.605 1.00 0.00 C ATOM 1669 CG1 VAL A 106 -8.799 -15.072 0.211 1.00 0.00 C ATOM 1670 CG2 VAL A 106 -7.305 -16.422 -1.277 1.00 0.00 C ATOM 0 H VAL A 106 -5.929 -14.099 -3.026 1.00 0.00 H new ATOM 0 HA VAL A 106 -8.631 -13.731 -1.859 1.00 0.00 H new ATOM 0 HB VAL A 106 -6.647 -14.844 0.048 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.743 -15.858 0.964 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -8.939 -14.109 0.702 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.641 -15.266 -0.454 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.251 -17.197 -0.512 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.148 -16.623 -1.939 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -6.382 -16.419 -1.856 1.00 0.00 H new ATOM 1680 N CYS A 107 -7.301 -12.092 -0.077 1.00 0.00 N ATOM 1681 CA CYS A 107 -6.677 -10.819 0.404 1.00 0.00 C ATOM 1682 C CYS A 107 -5.280 -11.032 0.966 1.00 0.00 C ATOM 1683 O CYS A 107 -4.954 -12.036 1.564 1.00 0.00 O ATOM 1684 CB CYS A 107 -7.563 -10.178 1.473 1.00 0.00 C ATOM 1685 SG CYS A 107 -8.161 -11.457 2.582 1.00 0.00 S ATOM 0 H CYS A 107 -8.042 -12.465 0.516 1.00 0.00 H new ATOM 0 HA CYS A 107 -6.587 -10.159 -0.459 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -6.999 -9.430 2.030 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -8.402 -9.662 1.006 1.00 0.00 H new ATOM 0 HG CYS A 107 -7.697 -12.611 2.204 1.00 0.00 H new ATOM 1691 N VAL A 108 -4.476 -10.027 0.776 1.00 0.00 N ATOM 1692 CA VAL A 108 -3.082 -10.017 1.274 1.00 0.00 C ATOM 1693 C VAL A 108 -2.893 -8.661 1.957 1.00 0.00 C ATOM 1694 O VAL A 108 -3.532 -7.696 1.587 1.00 0.00 O ATOM 1695 CB VAL A 108 -2.126 -10.174 0.086 1.00 0.00 C ATOM 1696 CG1 VAL A 108 -2.214 -8.941 -0.820 1.00 0.00 C ATOM 1697 CG2 VAL A 108 -0.691 -10.349 0.597 1.00 0.00 C ATOM 0 H VAL A 108 -4.743 -9.180 0.275 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.878 -10.831 1.970 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.409 -11.056 -0.489 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.532 -9.059 -1.662 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.233 -8.834 -1.191 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.939 -8.052 -0.252 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.014 -10.460 -0.250 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.403 -9.474 1.179 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.634 -11.238 1.226 1.00 0.00 H new ATOM 1707 N ILE A 109 -2.062 -8.565 2.964 1.00 0.00 N ATOM 1708 CA ILE A 109 -1.906 -7.250 3.669 1.00 0.00 C ATOM 1709 C ILE A 109 -0.674 -6.502 3.143 1.00 0.00 C ATOM 1710 O ILE A 109 0.449 -6.941 3.278 1.00 0.00 O ATOM 1711 CB ILE A 109 -1.776 -7.524 5.184 1.00 0.00 C ATOM 1712 CG1 ILE A 109 -2.128 -6.268 5.987 1.00 0.00 C ATOM 1713 CG2 ILE A 109 -0.347 -7.959 5.547 1.00 0.00 C ATOM 1714 CD1 ILE A 109 -2.202 -6.644 7.467 1.00 0.00 C ATOM 0 H ILE A 109 -1.490 -9.328 3.327 1.00 0.00 H new ATOM 0 HA ILE A 109 -2.776 -6.621 3.483 1.00 0.00 H new ATOM 0 HB ILE A 109 -2.469 -8.328 5.432 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -1.376 -5.495 5.830 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -3.081 -5.859 5.652 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -0.285 -8.145 6.619 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -0.096 -8.871 5.005 1.00 0.00 H new ATOM 0 HG23 ILE A 109 0.354 -7.170 5.274 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -2.452 -5.761 8.055 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -2.969 -7.405 7.611 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -1.238 -7.035 7.792 1.00 0.00 H new ATOM 1726 N TRP A 110 -0.892 -5.360 2.541 1.00 0.00 N ATOM 1727 CA TRP A 110 0.243 -4.551 2.003 1.00 0.00 C ATOM 1728 C TRP A 110 0.456 -3.342 2.925 1.00 0.00 C ATOM 1729 O TRP A 110 -0.464 -2.596 3.182 1.00 0.00 O ATOM 1730 CB TRP A 110 -0.137 -4.059 0.599 1.00 0.00 C ATOM 1731 CG TRP A 110 1.059 -3.467 -0.076 1.00 0.00 C ATOM 1732 CD1 TRP A 110 1.857 -4.118 -0.957 1.00 0.00 C ATOM 1733 CD2 TRP A 110 1.604 -2.127 0.057 1.00 0.00 C ATOM 1734 NE1 TRP A 110 2.859 -3.260 -1.372 1.00 0.00 N ATOM 1735 CE2 TRP A 110 2.745 -2.021 -0.773 1.00 0.00 C ATOM 1736 CE3 TRP A 110 1.222 -1.003 0.811 1.00 0.00 C ATOM 1737 CZ2 TRP A 110 3.483 -0.842 -0.851 1.00 0.00 C ATOM 1738 CZ3 TRP A 110 1.962 0.186 0.734 1.00 0.00 C ATOM 1739 CH2 TRP A 110 3.092 0.268 -0.093 1.00 0.00 C ATOM 0 H TRP A 110 -1.815 -4.951 2.398 1.00 0.00 H new ATOM 0 HA TRP A 110 1.155 -5.146 1.954 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.526 -4.888 0.007 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.931 -3.316 0.668 1.00 0.00 H new ATOM 0 HD1 TRP A 110 1.731 -5.140 -1.282 1.00 0.00 H new ATOM 0 HE1 TRP A 110 3.591 -3.511 -2.037 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.355 -1.056 1.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.351 -0.785 -1.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 1.660 1.044 1.316 1.00 0.00 H new ATOM 0 HH2 TRP A 110 3.659 1.186 -0.145 1.00 0.00 H new ATOM 1750 N LYS A 111 1.648 -3.123 3.419 1.00 0.00 N ATOM 1751 CA LYS A 111 1.870 -1.936 4.310 1.00 0.00 C ATOM 1752 C LYS A 111 3.296 -1.427 4.164 1.00 0.00 C ATOM 1753 O LYS A 111 4.139 -1.590 5.026 1.00 0.00 O ATOM 1754 CB LYS A 111 1.556 -2.298 5.757 1.00 0.00 C ATOM 1755 CG LYS A 111 2.228 -3.607 6.131 1.00 0.00 C ATOM 1756 CD LYS A 111 1.836 -3.964 7.566 1.00 0.00 C ATOM 1757 CE LYS A 111 2.558 -5.242 7.984 1.00 0.00 C ATOM 1758 NZ LYS A 111 1.859 -6.402 7.372 1.00 0.00 N ATOM 0 H LYS A 111 2.469 -3.704 3.249 1.00 0.00 H new ATOM 0 HA LYS A 111 1.196 -1.134 4.010 1.00 0.00 H new ATOM 0 HB2 LYS A 111 1.898 -1.503 6.420 1.00 0.00 H new ATOM 0 HB3 LYS A 111 0.478 -2.384 5.892 1.00 0.00 H new ATOM 0 HG2 LYS A 111 1.922 -4.398 5.447 1.00 0.00 H new ATOM 0 HG3 LYS A 111 3.311 -3.514 6.047 1.00 0.00 H new ATOM 0 HD2 LYS A 111 2.097 -3.148 8.240 1.00 0.00 H new ATOM 0 HD3 LYS A 111 0.757 -4.103 7.637 1.00 0.00 H new ATOM 0 HE2 LYS A 111 3.598 -5.213 7.659 1.00 0.00 H new ATOM 0 HE3 LYS A 111 2.566 -5.335 9.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 2.156 -7.277 7.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 0.831 -6.282 7.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 2.101 -6.459 6.362 1.00 0.00 H new ATOM 1772 N GLY A 112 3.544 -0.790 3.063 1.00 0.00 N ATOM 1773 CA GLY A 112 4.886 -0.223 2.792 1.00 0.00 C ATOM 1774 C GLY A 112 5.050 1.090 3.536 1.00 0.00 C ATOM 1775 O GLY A 112 4.085 1.714 3.925 1.00 0.00 O ATOM 0 H GLY A 112 2.859 -0.635 2.323 1.00 0.00 H new ATOM 0 HA2 GLY A 112 5.658 -0.927 3.104 1.00 0.00 H new ATOM 0 HA3 GLY A 112 5.014 -0.063 1.721 1.00 0.00 H new ATOM 1779 N TRP A 113 6.265 1.531 3.710 1.00 0.00 N ATOM 1780 CA TRP A 113 6.502 2.828 4.407 1.00 0.00 C ATOM 1781 C TRP A 113 7.660 3.562 3.744 1.00 0.00 C ATOM 1782 O TRP A 113 8.464 2.980 3.048 1.00 0.00 O ATOM 1783 CB TRP A 113 6.803 2.585 5.893 1.00 0.00 C ATOM 1784 CG TRP A 113 7.864 1.547 6.076 1.00 0.00 C ATOM 1785 CD1 TRP A 113 7.620 0.285 6.490 1.00 0.00 C ATOM 1786 CD2 TRP A 113 9.309 1.646 5.890 1.00 0.00 C ATOM 1787 NE1 TRP A 113 8.814 -0.400 6.575 1.00 0.00 N ATOM 1788 CE2 TRP A 113 9.885 0.391 6.211 1.00 0.00 C ATOM 1789 CE3 TRP A 113 10.172 2.680 5.478 1.00 0.00 C ATOM 1790 CZ2 TRP A 113 11.257 0.173 6.129 1.00 0.00 C ATOM 1791 CZ3 TRP A 113 11.558 2.457 5.393 1.00 0.00 C ATOM 1792 CH2 TRP A 113 12.097 1.205 5.718 1.00 0.00 C ATOM 0 H TRP A 113 7.108 1.048 3.399 1.00 0.00 H new ATOM 0 HA TRP A 113 5.605 3.442 4.334 1.00 0.00 H new ATOM 0 HB2 TRP A 113 7.122 3.518 6.358 1.00 0.00 H new ATOM 0 HB3 TRP A 113 5.893 2.270 6.403 1.00 0.00 H new ATOM 0 HD1 TRP A 113 6.646 -0.122 6.718 1.00 0.00 H new ATOM 0 HE1 TRP A 113 8.896 -1.373 6.871 1.00 0.00 H new ATOM 0 HE3 TRP A 113 9.767 3.649 5.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 11.669 -0.793 6.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 12.211 3.256 5.075 1.00 0.00 H new ATOM 0 HH2 TRP A 113 13.162 1.041 5.650 1.00 0.00 H new ATOM 1803 N ILE A 114 7.745 4.846 3.960 1.00 0.00 N ATOM 1804 CA ILE A 114 8.839 5.651 3.353 1.00 0.00 C ATOM 1805 C ILE A 114 9.089 6.855 4.238 1.00 0.00 C ATOM 1806 O ILE A 114 8.197 7.351 4.892 1.00 0.00 O ATOM 1807 CB ILE A 114 8.433 6.154 1.961 1.00 0.00 C ATOM 1808 CG1 ILE A 114 7.062 6.827 2.045 1.00 0.00 C ATOM 1809 CG2 ILE A 114 8.399 4.998 0.960 1.00 0.00 C ATOM 1810 CD1 ILE A 114 6.623 7.316 0.662 1.00 0.00 C ATOM 0 H ILE A 114 7.094 5.377 4.539 1.00 0.00 H new ATOM 0 HA ILE A 114 9.730 5.030 3.262 1.00 0.00 H new ATOM 0 HB ILE A 114 9.170 6.879 1.615 1.00 0.00 H new ATOM 0 HG12 ILE A 114 6.328 6.124 2.439 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.104 7.667 2.739 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.109 5.375 -0.021 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.387 4.543 0.896 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.676 4.252 1.290 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.646 7.793 0.738 1.00 0.00 H new ATOM 0 HD12 ILE A 114 7.349 8.035 0.283 1.00 0.00 H new ATOM 0 HD13 ILE A 114 6.561 6.469 -0.021 1.00 0.00 H new ATOM 1822 N ASP A 115 10.289 7.337 4.257 1.00 0.00 N ATOM 1823 CA ASP A 115 10.582 8.521 5.092 1.00 0.00 C ATOM 1824 C ASP A 115 10.064 9.762 4.368 1.00 0.00 C ATOM 1825 O ASP A 115 9.686 9.710 3.215 1.00 0.00 O ATOM 1826 CB ASP A 115 12.089 8.622 5.313 1.00 0.00 C ATOM 1827 CG ASP A 115 12.388 9.506 6.530 1.00 0.00 C ATOM 1828 OD1 ASP A 115 11.587 10.380 6.821 1.00 0.00 O ATOM 1829 OD2 ASP A 115 13.419 9.296 7.148 1.00 0.00 O ATOM 0 H ASP A 115 11.080 6.964 3.732 1.00 0.00 H new ATOM 0 HA ASP A 115 10.094 8.437 6.063 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.509 7.628 5.465 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.567 9.038 4.426 1.00 0.00 H new ATOM 1834 N LEU A 116 10.028 10.864 5.046 1.00 0.00 N ATOM 1835 CA LEU A 116 9.521 12.113 4.429 1.00 0.00 C ATOM 1836 C LEU A 116 10.525 12.596 3.364 1.00 0.00 C ATOM 1837 O LEU A 116 10.159 13.272 2.424 1.00 0.00 O ATOM 1838 CB LEU A 116 9.337 13.141 5.565 1.00 0.00 C ATOM 1839 CG LEU A 116 8.300 14.242 5.206 1.00 0.00 C ATOM 1840 CD1 LEU A 116 7.714 14.825 6.499 1.00 0.00 C ATOM 1841 CD2 LEU A 116 8.962 15.386 4.426 1.00 0.00 C ATOM 0 H LEU A 116 10.332 10.956 6.015 1.00 0.00 H new ATOM 0 HA LEU A 116 8.566 11.963 3.925 1.00 0.00 H new ATOM 0 HB2 LEU A 116 9.016 12.625 6.470 1.00 0.00 H new ATOM 0 HB3 LEU A 116 10.296 13.608 5.788 1.00 0.00 H new ATOM 0 HG LEU A 116 7.522 13.789 4.592 1.00 0.00 H new ATOM 0 HD11 LEU A 116 6.986 15.598 6.252 1.00 0.00 H new ATOM 0 HD12 LEU A 116 7.225 14.033 7.066 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.515 15.259 7.098 1.00 0.00 H new ATOM 0 HD21 LEU A 116 8.215 16.143 4.187 1.00 0.00 H new ATOM 0 HD22 LEU A 116 9.750 15.832 5.033 1.00 0.00 H new ATOM 0 HD23 LEU A 116 9.392 14.996 3.503 1.00 0.00 H new ATOM 1853 N HIS A 117 11.791 12.242 3.486 1.00 0.00 N ATOM 1854 CA HIS A 117 12.799 12.691 2.471 1.00 0.00 C ATOM 1855 C HIS A 117 13.050 11.592 1.422 1.00 0.00 C ATOM 1856 O HIS A 117 12.869 11.829 0.243 1.00 0.00 O ATOM 1857 CB HIS A 117 14.110 13.096 3.188 1.00 0.00 C ATOM 1858 CG HIS A 117 15.009 11.913 3.423 1.00 0.00 C ATOM 1859 ND1 HIS A 117 16.211 11.766 2.751 1.00 0.00 N ATOM 1860 CD2 HIS A 117 14.918 10.841 4.273 1.00 0.00 C ATOM 1861 CE1 HIS A 117 16.792 10.641 3.205 1.00 0.00 C ATOM 1862 NE2 HIS A 117 16.045 10.037 4.133 1.00 0.00 N ATOM 0 H HIS A 117 12.163 11.666 4.241 1.00 0.00 H new ATOM 0 HA HIS A 117 12.409 13.560 1.941 1.00 0.00 H new ATOM 0 HB2 HIS A 117 14.637 13.839 2.589 1.00 0.00 H new ATOM 0 HB3 HIS A 117 13.872 13.566 4.142 1.00 0.00 H new ATOM 0 HD1 HIS A 117 16.587 12.395 2.042 1.00 0.00 H new ATOM 0 HD2 HIS A 117 14.097 10.650 4.948 1.00 0.00 H new ATOM 0 HE1 HIS A 117 17.747 10.271 2.861 1.00 0.00 H new ATOM 1870 N ARG A 118 13.458 10.393 1.805 1.00 0.00 N ATOM 1871 CA ARG A 118 13.698 9.335 0.760 1.00 0.00 C ATOM 1872 C ARG A 118 12.438 8.494 0.543 1.00 0.00 C ATOM 1873 O ARG A 118 11.872 7.922 1.456 1.00 0.00 O ATOM 1874 CB ARG A 118 14.877 8.429 1.155 1.00 0.00 C ATOM 1875 CG ARG A 118 14.511 7.509 2.319 1.00 0.00 C ATOM 1876 CD ARG A 118 15.786 6.842 2.841 1.00 0.00 C ATOM 1877 NE ARG A 118 15.439 5.810 3.854 1.00 0.00 N ATOM 1878 CZ ARG A 118 16.336 4.942 4.231 1.00 0.00 C ATOM 1879 NH1 ARG A 118 17.542 4.990 3.729 1.00 0.00 N ATOM 1880 NH2 ARG A 118 16.033 4.034 5.115 1.00 0.00 N ATOM 0 H ARG A 118 13.630 10.109 2.769 1.00 0.00 H new ATOM 0 HA ARG A 118 13.948 9.839 -0.174 1.00 0.00 H new ATOM 0 HB2 ARG A 118 15.179 7.829 0.297 1.00 0.00 H new ATOM 0 HB3 ARG A 118 15.733 9.044 1.431 1.00 0.00 H new ATOM 0 HG2 ARG A 118 14.031 8.079 3.114 1.00 0.00 H new ATOM 0 HG3 ARG A 118 13.796 6.753 1.993 1.00 0.00 H new ATOM 0 HD2 ARG A 118 16.332 6.385 2.016 1.00 0.00 H new ATOM 0 HD3 ARG A 118 16.444 7.591 3.282 1.00 0.00 H new ATOM 0 HE ARG A 118 14.501 5.781 4.253 1.00 0.00 H new ATOM 0 HH11 ARG A 118 17.781 5.706 3.043 1.00 0.00 H new ATOM 0 HH12 ARG A 118 18.244 4.311 4.023 1.00 0.00 H new ATOM 0 HH21 ARG A 118 15.094 4.002 5.512 1.00 0.00 H new ATOM 0 HH22 ARG A 118 16.735 3.355 5.410 1.00 0.00 H new ATOM 1894 N LEU A 119 12.013 8.428 -0.684 1.00 0.00 N ATOM 1895 CA LEU A 119 10.805 7.634 -1.059 1.00 0.00 C ATOM 1896 C LEU A 119 11.198 6.173 -1.294 1.00 0.00 C ATOM 1897 O LEU A 119 10.402 5.376 -1.734 1.00 0.00 O ATOM 1898 CB LEU A 119 10.232 8.206 -2.362 1.00 0.00 C ATOM 1899 CG LEU A 119 9.335 9.397 -2.051 1.00 0.00 C ATOM 1900 CD1 LEU A 119 10.127 10.431 -1.251 1.00 0.00 C ATOM 1901 CD2 LEU A 119 8.840 10.005 -3.363 1.00 0.00 C ATOM 0 H LEU A 119 12.462 8.903 -1.467 1.00 0.00 H new ATOM 0 HA LEU A 119 10.068 7.687 -0.258 1.00 0.00 H new ATOM 0 HB2 LEU A 119 11.043 8.512 -3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 119 9.664 7.439 -2.888 1.00 0.00 H new ATOM 0 HG LEU A 119 8.477 9.077 -1.460 1.00 0.00 H new ATOM 0 HD11 LEU A 119 9.488 11.285 -1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 119 10.474 9.983 -0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 119 10.985 10.764 -1.835 1.00 0.00 H new ATOM 0 HD21 LEU A 119 8.197 10.859 -3.149 1.00 0.00 H new ATOM 0 HD22 LEU A 119 9.693 10.333 -3.957 1.00 0.00 H new ATOM 0 HD23 LEU A 119 8.276 9.257 -3.921 1.00 0.00 H new ATOM 1913 N ASP A 120 12.428 5.831 -1.041 1.00 0.00 N ATOM 1914 CA ASP A 120 12.898 4.421 -1.306 1.00 0.00 C ATOM 1915 C ASP A 120 12.818 3.582 -0.045 1.00 0.00 C ATOM 1916 O ASP A 120 13.736 2.867 0.300 1.00 0.00 O ATOM 1917 CB ASP A 120 14.346 4.436 -1.799 1.00 0.00 C ATOM 1918 CG ASP A 120 15.272 4.911 -0.674 1.00 0.00 C ATOM 1919 OD1 ASP A 120 14.762 5.287 0.369 1.00 0.00 O ATOM 1920 OD2 ASP A 120 16.474 4.887 -0.877 1.00 0.00 O ATOM 0 H ASP A 120 13.137 6.458 -0.662 1.00 0.00 H new ATOM 0 HA ASP A 120 12.250 3.987 -2.067 1.00 0.00 H new ATOM 0 HB2 ASP A 120 14.639 3.438 -2.127 1.00 0.00 H new ATOM 0 HB3 ASP A 120 14.439 5.095 -2.662 1.00 0.00 H new ATOM 1925 N GLY A 121 11.734 3.663 0.643 1.00 0.00 N ATOM 1926 CA GLY A 121 11.592 2.871 1.890 1.00 0.00 C ATOM 1927 C GLY A 121 11.590 1.374 1.580 1.00 0.00 C ATOM 1928 O GLY A 121 12.171 0.916 0.615 1.00 0.00 O ATOM 0 H GLY A 121 10.931 4.244 0.402 1.00 0.00 H new ATOM 0 HA2 GLY A 121 12.410 3.106 2.571 1.00 0.00 H new ATOM 0 HA3 GLY A 121 10.667 3.144 2.397 1.00 0.00 H new ATOM 1932 N MET A 122 10.906 0.620 2.400 1.00 0.00 N ATOM 1933 CA MET A 122 10.795 -0.861 2.205 1.00 0.00 C ATOM 1934 C MET A 122 9.363 -1.276 2.559 1.00 0.00 C ATOM 1935 O MET A 122 8.665 -0.563 3.253 1.00 0.00 O ATOM 1936 CB MET A 122 11.792 -1.573 3.135 1.00 0.00 C ATOM 1937 CG MET A 122 11.865 -3.062 2.795 1.00 0.00 C ATOM 1938 SD MET A 122 12.916 -3.922 3.998 1.00 0.00 S ATOM 1939 CE MET A 122 14.521 -3.351 3.388 1.00 0.00 C ATOM 0 H MET A 122 10.407 0.975 3.216 1.00 0.00 H new ATOM 0 HA MET A 122 11.022 -1.133 1.174 1.00 0.00 H new ATOM 0 HB2 MET A 122 12.779 -1.121 3.035 1.00 0.00 H new ATOM 0 HB3 MET A 122 11.486 -1.445 4.173 1.00 0.00 H new ATOM 0 HG2 MET A 122 10.864 -3.494 2.800 1.00 0.00 H new ATOM 0 HG3 MET A 122 12.265 -3.195 1.790 1.00 0.00 H new ATOM 0 HE1 MET A 122 15.144 -4.211 3.142 1.00 0.00 H new ATOM 0 HE2 MET A 122 14.375 -2.741 2.496 1.00 0.00 H new ATOM 0 HE3 MET A 122 15.012 -2.756 4.158 1.00 0.00 H new ATOM 1949 N GLY A 123 8.899 -2.413 2.102 1.00 0.00 N ATOM 1950 CA GLY A 123 7.501 -2.815 2.447 1.00 0.00 C ATOM 1951 C GLY A 123 7.331 -4.327 2.376 1.00 0.00 C ATOM 1952 O GLY A 123 7.330 -4.932 1.319 1.00 0.00 O ATOM 0 H GLY A 123 9.416 -3.069 1.516 1.00 0.00 H new ATOM 0 HA2 GLY A 123 7.256 -2.465 3.450 1.00 0.00 H new ATOM 0 HA3 GLY A 123 6.802 -2.335 1.762 1.00 0.00 H new ATOM 1956 N CYS A 124 7.171 -4.928 3.520 1.00 0.00 N ATOM 1957 CA CYS A 124 6.969 -6.396 3.598 1.00 0.00 C ATOM 1958 C CYS A 124 5.479 -6.696 3.507 1.00 0.00 C ATOM 1959 O CYS A 124 4.673 -6.046 4.148 1.00 0.00 O ATOM 1960 CB CYS A 124 7.517 -6.914 4.934 1.00 0.00 C ATOM 1961 SG CYS A 124 8.999 -5.979 5.392 1.00 0.00 S ATOM 0 H CYS A 124 7.172 -4.451 4.422 1.00 0.00 H new ATOM 0 HA CYS A 124 7.493 -6.887 2.778 1.00 0.00 H new ATOM 0 HB2 CYS A 124 6.759 -6.816 5.711 1.00 0.00 H new ATOM 0 HB3 CYS A 124 7.755 -7.975 4.853 1.00 0.00 H new ATOM 0 HG CYS A 124 9.458 -6.420 6.526 1.00 0.00 H new ATOM 1967 N LEU A 125 5.107 -7.687 2.744 1.00 0.00 N ATOM 1968 CA LEU A 125 3.654 -8.050 2.637 1.00 0.00 C ATOM 1969 C LEU A 125 3.515 -9.561 2.841 1.00 0.00 C ATOM 1970 O LEU A 125 4.410 -10.318 2.529 1.00 0.00 O ATOM 1971 CB LEU A 125 3.108 -7.623 1.267 1.00 0.00 C ATOM 1972 CG LEU A 125 3.663 -8.501 0.135 1.00 0.00 C ATOM 1973 CD1 LEU A 125 2.898 -8.182 -1.155 1.00 0.00 C ATOM 1974 CD2 LEU A 125 5.172 -8.230 -0.066 1.00 0.00 C ATOM 0 H LEU A 125 5.740 -8.263 2.189 1.00 0.00 H new ATOM 0 HA LEU A 125 3.075 -7.531 3.401 1.00 0.00 H new ATOM 0 HB2 LEU A 125 2.020 -7.683 1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 125 3.368 -6.581 1.080 1.00 0.00 H new ATOM 0 HG LEU A 125 3.536 -9.552 0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 125 3.282 -8.799 -1.968 1.00 0.00 H new ATOM 0 HD12 LEU A 125 1.838 -8.391 -1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 125 3.029 -7.129 -1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 125 5.551 -8.860 -0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 125 5.322 -7.182 -0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 125 5.708 -8.458 0.855 1.00 0.00 H new ATOM 1986 N GLU A 126 2.410 -10.011 3.373 1.00 0.00 N ATOM 1987 CA GLU A 126 2.236 -11.481 3.606 1.00 0.00 C ATOM 1988 C GLU A 126 0.759 -11.871 3.487 1.00 0.00 C ATOM 1989 O GLU A 126 -0.122 -11.148 3.905 1.00 0.00 O ATOM 1990 CB GLU A 126 2.736 -11.841 5.020 1.00 0.00 C ATOM 1991 CG GLU A 126 4.229 -11.520 5.171 1.00 0.00 C ATOM 1992 CD GLU A 126 5.037 -12.301 4.134 1.00 0.00 C ATOM 1993 OE1 GLU A 126 4.574 -13.349 3.714 1.00 0.00 O ATOM 1994 OE2 GLU A 126 6.107 -11.836 3.777 1.00 0.00 O ATOM 0 H GLU A 126 1.621 -9.430 3.656 1.00 0.00 H new ATOM 0 HA GLU A 126 2.811 -12.023 2.855 1.00 0.00 H new ATOM 0 HB2 GLU A 126 2.164 -11.287 5.764 1.00 0.00 H new ATOM 0 HB3 GLU A 126 2.567 -12.901 5.211 1.00 0.00 H new ATOM 0 HG2 GLU A 126 4.395 -10.450 5.043 1.00 0.00 H new ATOM 0 HG3 GLU A 126 4.565 -11.777 6.175 1.00 0.00 H new ATOM 2001 N PHE A 127 0.490 -13.031 2.942 1.00 0.00 N ATOM 2002 CA PHE A 127 -0.921 -13.505 2.819 1.00 0.00 C ATOM 2003 C PHE A 127 -1.375 -14.027 4.194 1.00 0.00 C ATOM 2004 O PHE A 127 -1.202 -15.190 4.495 1.00 0.00 O ATOM 2005 CB PHE A 127 -0.965 -14.652 1.774 1.00 0.00 C ATOM 2006 CG PHE A 127 -1.658 -14.220 0.493 1.00 0.00 C ATOM 2007 CD1 PHE A 127 -0.949 -13.542 -0.511 1.00 0.00 C ATOM 2008 CD2 PHE A 127 -3.004 -14.549 0.295 1.00 0.00 C ATOM 2009 CE1 PHE A 127 -1.590 -13.195 -1.708 1.00 0.00 C ATOM 2010 CE2 PHE A 127 -3.644 -14.195 -0.897 1.00 0.00 C ATOM 2011 CZ PHE A 127 -2.938 -13.519 -1.900 1.00 0.00 C ATOM 0 H PHE A 127 1.192 -13.673 2.575 1.00 0.00 H new ATOM 0 HA PHE A 127 -1.580 -12.698 2.498 1.00 0.00 H new ATOM 0 HB2 PHE A 127 0.051 -14.976 1.547 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -1.486 -15.510 2.198 1.00 0.00 H new ATOM 0 HD1 PHE A 127 0.090 -13.288 -0.361 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -3.549 -15.077 1.064 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -1.044 -12.677 -2.483 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -4.685 -14.443 -1.044 1.00 0.00 H new ATOM 0 HZ PHE A 127 -3.433 -13.248 -2.821 1.00 0.00 H new ATOM 2021 N ASP A 128 -1.941 -13.193 5.037 1.00 0.00 N ATOM 2022 CA ASP A 128 -2.377 -13.689 6.388 1.00 0.00 C ATOM 2023 C ASP A 128 -3.679 -13.018 6.819 1.00 0.00 C ATOM 2024 O ASP A 128 -4.052 -13.054 7.975 1.00 0.00 O ATOM 2025 CB ASP A 128 -1.290 -13.374 7.418 1.00 0.00 C ATOM 2026 CG ASP A 128 -1.560 -14.166 8.702 1.00 0.00 C ATOM 2027 OD1 ASP A 128 -2.500 -14.947 8.709 1.00 0.00 O ATOM 2028 OD2 ASP A 128 -0.818 -13.987 9.654 1.00 0.00 O ATOM 0 H ASP A 128 -2.119 -12.205 4.854 1.00 0.00 H new ATOM 0 HA ASP A 128 -2.540 -14.765 6.325 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -0.309 -13.632 7.018 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -1.276 -12.305 7.633 1.00 0.00 H new ATOM 2033 N GLU A 129 -4.366 -12.402 5.914 1.00 0.00 N ATOM 2034 CA GLU A 129 -5.634 -11.716 6.291 1.00 0.00 C ATOM 2035 C GLU A 129 -6.672 -12.727 6.820 1.00 0.00 C ATOM 2036 O GLU A 129 -7.111 -13.647 6.135 1.00 0.00 O ATOM 2037 CB GLU A 129 -6.167 -10.966 5.062 1.00 0.00 C ATOM 2038 CG GLU A 129 -5.410 -9.643 4.883 1.00 0.00 C ATOM 2039 CD GLU A 129 -5.966 -8.587 5.843 1.00 0.00 C ATOM 2040 OE1 GLU A 129 -6.881 -8.907 6.582 1.00 0.00 O ATOM 2041 OE2 GLU A 129 -5.467 -7.473 5.820 1.00 0.00 O ATOM 0 H GLU A 129 -4.112 -12.339 4.928 1.00 0.00 H new ATOM 0 HA GLU A 129 -5.442 -11.006 7.095 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -6.052 -11.583 4.171 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -7.233 -10.771 5.179 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -4.347 -9.794 5.072 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -5.505 -9.297 3.854 1.00 0.00 H new ATOM 2048 N GLU A 130 -7.079 -12.553 8.049 1.00 0.00 N ATOM 2049 CA GLU A 130 -8.082 -13.476 8.631 1.00 0.00 C ATOM 2050 C GLU A 130 -9.353 -13.391 7.802 1.00 0.00 C ATOM 2051 O GLU A 130 -10.051 -14.364 7.607 1.00 0.00 O ATOM 2052 CB GLU A 130 -8.363 -13.091 10.089 1.00 0.00 C ATOM 2053 CG GLU A 130 -9.133 -11.768 10.152 1.00 0.00 C ATOM 2054 CD GLU A 130 -9.179 -11.286 11.603 1.00 0.00 C ATOM 2055 OE1 GLU A 130 -10.017 -11.775 12.343 1.00 0.00 O ATOM 2056 OE2 GLU A 130 -8.371 -10.439 11.953 1.00 0.00 O ATOM 0 H GLU A 130 -6.758 -11.811 8.671 1.00 0.00 H new ATOM 0 HA GLU A 130 -7.705 -14.499 8.617 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -8.939 -13.878 10.575 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -7.424 -12.999 10.635 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -8.650 -11.021 9.522 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -10.144 -11.902 9.768 1.00 0.00 H new ATOM 2063 N ARG A 131 -9.646 -12.245 7.265 1.00 0.00 N ATOM 2064 CA ARG A 131 -10.853 -12.159 6.423 1.00 0.00 C ATOM 2065 C ARG A 131 -10.588 -13.005 5.180 1.00 0.00 C ATOM 2066 O ARG A 131 -11.487 -13.375 4.460 1.00 0.00 O ATOM 2067 CB ARG A 131 -11.160 -10.707 6.041 1.00 0.00 C ATOM 2068 CG ARG A 131 -9.905 -10.017 5.513 1.00 0.00 C ATOM 2069 CD ARG A 131 -10.254 -8.590 5.087 1.00 0.00 C ATOM 2070 NE ARG A 131 -11.464 -8.613 4.197 1.00 0.00 N ATOM 2071 CZ ARG A 131 -11.480 -9.289 3.079 1.00 0.00 C ATOM 2072 NH1 ARG A 131 -10.384 -9.817 2.611 1.00 0.00 N ATOM 2073 NH2 ARG A 131 -12.592 -9.400 2.404 1.00 0.00 N ATOM 0 H ARG A 131 -9.112 -11.383 7.372 1.00 0.00 H new ATOM 0 HA ARG A 131 -11.724 -12.528 6.964 1.00 0.00 H new ATOM 0 HB2 ARG A 131 -11.942 -10.682 5.283 1.00 0.00 H new ATOM 0 HB3 ARG A 131 -11.540 -10.169 6.909 1.00 0.00 H new ATOM 0 HG2 ARG A 131 -9.134 -10.001 6.283 1.00 0.00 H new ATOM 0 HG3 ARG A 131 -9.499 -10.572 4.667 1.00 0.00 H new ATOM 0 HD2 ARG A 131 -10.447 -7.974 5.965 1.00 0.00 H new ATOM 0 HD3 ARG A 131 -9.412 -8.140 4.562 1.00 0.00 H new ATOM 0 HE ARG A 131 -12.294 -8.088 4.472 1.00 0.00 H new ATOM 0 HH11 ARG A 131 -9.506 -9.704 3.118 1.00 0.00 H new ATOM 0 HH12 ARG A 131 -10.404 -10.343 1.738 1.00 0.00 H new ATOM 0 HH21 ARG A 131 -13.445 -8.960 2.750 1.00 0.00 H new ATOM 0 HH22 ARG A 131 -12.608 -9.927 1.531 1.00 0.00 H new ATOM 2087 N ALA A 132 -9.345 -13.342 4.940 1.00 0.00 N ATOM 2088 CA ALA A 132 -9.039 -14.191 3.758 1.00 0.00 C ATOM 2089 C ALA A 132 -9.760 -15.509 3.919 1.00 0.00 C ATOM 2090 O ALA A 132 -10.390 -15.994 3.005 1.00 0.00 O ATOM 2091 CB ALA A 132 -7.534 -14.459 3.664 1.00 0.00 C ATOM 0 H ALA A 132 -8.542 -13.068 5.506 1.00 0.00 H new ATOM 0 HA ALA A 132 -9.362 -13.677 2.852 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -7.329 -15.082 2.793 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -7.001 -13.513 3.567 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -7.199 -14.973 4.565 1.00 0.00 H new ATOM 2097 N GLN A 133 -9.678 -16.105 5.067 1.00 0.00 N ATOM 2098 CA GLN A 133 -10.380 -17.410 5.223 1.00 0.00 C ATOM 2099 C GLN A 133 -11.894 -17.208 5.020 1.00 0.00 C ATOM 2100 O GLN A 133 -12.543 -17.966 4.319 1.00 0.00 O ATOM 2101 CB GLN A 133 -10.076 -18.028 6.604 1.00 0.00 C ATOM 2102 CG GLN A 133 -11.015 -17.480 7.688 1.00 0.00 C ATOM 2103 CD GLN A 133 -10.553 -17.973 9.059 1.00 0.00 C ATOM 2104 OE1 GLN A 133 -9.452 -18.471 9.202 1.00 0.00 O ATOM 2105 NE2 GLN A 133 -11.354 -17.849 10.083 1.00 0.00 N ATOM 0 H GLN A 133 -9.173 -15.763 5.885 1.00 0.00 H new ATOM 0 HA GLN A 133 -10.019 -18.107 4.467 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -10.177 -19.112 6.548 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -9.042 -17.818 6.878 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -11.019 -16.390 7.664 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -12.037 -17.807 7.498 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -12.277 -17.431 9.961 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -11.057 -18.170 11.005 1.00 0.00 H new ATOM 2114 N GLN A 134 -12.473 -16.196 5.619 1.00 0.00 N ATOM 2115 CA GLN A 134 -13.947 -15.991 5.436 1.00 0.00 C ATOM 2116 C GLN A 134 -14.265 -15.397 4.044 1.00 0.00 C ATOM 2117 O GLN A 134 -15.224 -15.787 3.409 1.00 0.00 O ATOM 2118 CB GLN A 134 -14.491 -15.071 6.555 1.00 0.00 C ATOM 2119 CG GLN A 134 -14.399 -13.595 6.142 1.00 0.00 C ATOM 2120 CD GLN A 134 -14.604 -12.703 7.357 1.00 0.00 C ATOM 2121 OE1 GLN A 134 -15.325 -11.727 7.291 1.00 0.00 O ATOM 2122 NE2 GLN A 134 -13.992 -12.993 8.470 1.00 0.00 N ATOM 0 H GLN A 134 -12.002 -15.515 6.215 1.00 0.00 H new ATOM 0 HA GLN A 134 -14.438 -16.962 5.499 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -15.528 -15.329 6.771 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -13.924 -15.232 7.472 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -13.426 -13.394 5.693 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -15.152 -13.373 5.386 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -13.388 -13.813 8.521 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -14.117 -12.400 9.290 1.00 0.00 H new ATOM 2131 N GLU A 135 -13.496 -14.435 3.580 1.00 0.00 N ATOM 2132 CA GLU A 135 -13.815 -13.816 2.251 1.00 0.00 C ATOM 2133 C GLU A 135 -13.669 -14.846 1.132 1.00 0.00 C ATOM 2134 O GLU A 135 -14.396 -14.821 0.158 1.00 0.00 O ATOM 2135 CB GLU A 135 -12.906 -12.588 1.984 1.00 0.00 C ATOM 2136 CG GLU A 135 -11.583 -12.993 1.297 1.00 0.00 C ATOM 2137 CD GLU A 135 -11.767 -13.027 -0.225 1.00 0.00 C ATOM 2138 OE1 GLU A 135 -12.903 -12.973 -0.668 1.00 0.00 O ATOM 2139 OE2 GLU A 135 -10.767 -13.105 -0.921 1.00 0.00 O ATOM 0 H GLU A 135 -12.676 -14.058 4.055 1.00 0.00 H new ATOM 0 HA GLU A 135 -14.850 -13.475 2.273 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -13.437 -11.872 1.357 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -12.687 -12.086 2.926 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -10.796 -12.286 1.560 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -11.264 -13.972 1.654 1.00 0.00 H new ATOM 2146 N ASP A 136 -12.742 -15.749 1.247 1.00 0.00 N ATOM 2147 CA ASP A 136 -12.580 -16.754 0.174 1.00 0.00 C ATOM 2148 C ASP A 136 -13.849 -17.604 0.118 1.00 0.00 C ATOM 2149 O ASP A 136 -14.336 -17.946 -0.939 1.00 0.00 O ATOM 2150 CB ASP A 136 -11.350 -17.628 0.465 1.00 0.00 C ATOM 2151 CG ASP A 136 -10.793 -18.203 -0.842 1.00 0.00 C ATOM 2152 OD1 ASP A 136 -11.491 -18.139 -1.840 1.00 0.00 O ATOM 2153 OD2 ASP A 136 -9.670 -18.682 -0.823 1.00 0.00 O ATOM 0 H ASP A 136 -12.096 -15.833 2.031 1.00 0.00 H new ATOM 0 HA ASP A 136 -12.427 -16.266 -0.789 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -10.584 -17.037 0.967 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -11.622 -18.438 1.142 1.00 0.00 H new ATOM 2158 N ALA A 137 -14.394 -17.939 1.257 1.00 0.00 N ATOM 2159 CA ALA A 137 -15.644 -18.750 1.268 1.00 0.00 C ATOM 2160 C ALA A 137 -16.788 -17.955 0.621 1.00 0.00 C ATOM 2161 O ALA A 137 -17.491 -18.449 -0.239 1.00 0.00 O ATOM 2162 CB ALA A 137 -16.005 -19.095 2.714 1.00 0.00 C ATOM 0 H ALA A 137 -14.029 -17.687 2.176 1.00 0.00 H new ATOM 0 HA ALA A 137 -15.488 -19.668 0.701 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -16.919 -19.689 2.729 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -15.194 -19.666 3.165 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -16.160 -18.176 3.280 1.00 0.00 H new ATOM 2168 N LEU A 138 -16.976 -16.726 1.027 1.00 0.00 N ATOM 2169 CA LEU A 138 -18.069 -15.893 0.436 1.00 0.00 C ATOM 2170 C LEU A 138 -17.630 -15.297 -0.900 1.00 0.00 C ATOM 2171 O LEU A 138 -18.399 -14.640 -1.570 1.00 0.00 O ATOM 2172 CB LEU A 138 -18.430 -14.760 1.402 1.00 0.00 C ATOM 2173 CG LEU A 138 -18.922 -15.347 2.730 1.00 0.00 C ATOM 2174 CD1 LEU A 138 -19.231 -14.201 3.703 1.00 0.00 C ATOM 2175 CD2 LEU A 138 -20.196 -16.189 2.494 1.00 0.00 C ATOM 0 H LEU A 138 -16.419 -16.261 1.744 1.00 0.00 H new ATOM 0 HA LEU A 138 -18.938 -16.529 0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -17.560 -14.126 1.574 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -19.203 -14.129 0.964 1.00 0.00 H new ATOM 0 HG LEU A 138 -18.149 -15.989 3.152 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -19.582 -14.612 4.650 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -18.328 -13.615 3.874 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -20.004 -13.561 3.277 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -20.540 -16.603 3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -20.976 -15.557 2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -19.972 -17.002 1.803 1.00 0.00 H new ATOM 2187 N ALA A 139 -16.406 -15.506 -1.297 1.00 0.00 N ATOM 2188 CA ALA A 139 -15.950 -14.931 -2.595 1.00 0.00 C ATOM 2189 C ALA A 139 -16.790 -15.504 -3.747 1.00 0.00 C ATOM 2190 O ALA A 139 -16.912 -14.899 -4.792 1.00 0.00 O ATOM 2191 CB ALA A 139 -14.479 -15.279 -2.828 1.00 0.00 C ATOM 0 H ALA A 139 -15.707 -16.044 -0.785 1.00 0.00 H new ATOM 0 HA ALA A 139 -16.070 -13.848 -2.560 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -14.151 -14.856 -3.778 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -13.875 -14.867 -2.020 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -14.361 -16.362 -2.853 1.00 0.00 H new ATOM 2197 N GLN A 140 -17.352 -16.674 -3.572 1.00 0.00 N ATOM 2198 CA GLN A 140 -18.161 -17.294 -4.669 1.00 0.00 C ATOM 2199 C GLN A 140 -19.554 -16.663 -4.755 1.00 0.00 C ATOM 2200 O GLN A 140 -20.083 -16.165 -3.782 1.00 0.00 O ATOM 2201 CB GLN A 140 -18.292 -18.798 -4.420 1.00 0.00 C ATOM 2202 CG GLN A 140 -16.911 -19.448 -4.507 1.00 0.00 C ATOM 2203 CD GLN A 140 -17.041 -20.949 -4.259 1.00 0.00 C ATOM 2204 OE1 GLN A 140 -18.089 -21.424 -3.870 1.00 0.00 O ATOM 2205 NE2 GLN A 140 -16.009 -21.720 -4.463 1.00 0.00 N ATOM 0 H GLN A 140 -17.286 -17.227 -2.718 1.00 0.00 H new ATOM 0 HA GLN A 140 -17.648 -17.117 -5.615 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -18.730 -18.979 -3.438 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -18.963 -19.243 -5.155 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -16.473 -19.267 -5.488 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -16.241 -19.003 -3.772 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -15.130 -21.319 -4.790 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -16.081 -22.724 -4.296 1.00 0.00 H new ATOM 2214 N GLN A 141 -20.149 -16.677 -5.926 1.00 0.00 N ATOM 2215 CA GLN A 141 -21.506 -16.074 -6.101 1.00 0.00 C ATOM 2216 C GLN A 141 -22.590 -17.143 -5.908 1.00 0.00 C ATOM 2217 O GLN A 141 -22.486 -18.188 -6.530 1.00 0.00 O ATOM 2218 CB GLN A 141 -21.606 -15.490 -7.512 1.00 0.00 C ATOM 2219 CG GLN A 141 -20.541 -14.408 -7.692 1.00 0.00 C ATOM 2220 CD GLN A 141 -20.629 -13.837 -9.108 1.00 0.00 C ATOM 2221 OE1 GLN A 141 -21.248 -14.424 -9.973 1.00 0.00 O ATOM 2222 NE2 GLN A 141 -20.027 -12.714 -9.387 1.00 0.00 N ATOM 2223 OXT GLN A 141 -23.507 -16.892 -5.143 1.00 0.00 O ATOM 0 H GLN A 141 -19.748 -17.083 -6.771 1.00 0.00 H new ATOM 0 HA GLN A 141 -21.654 -15.289 -5.359 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -21.469 -16.277 -8.254 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -22.598 -15.069 -7.674 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -20.686 -13.615 -6.959 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -19.550 -14.826 -7.518 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -19.507 -12.220 -8.662 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -20.076 -12.330 -10.331 1.00 0.00 H new TER 2232 GLN A 141