USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 GLN : amide:sc= -5.47! C(o=-5.5!,f=-6.6!) USER MOD Set 1.2: A 95 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 91 THR OG1 : rot 96:sc= 0.464 USER MOD Set 2.2: A 114 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 84 ASN : amide:sc= -1.37! C(o=-2.6!,f=-11!) USER MOD Set 3.2: A 85 SER OG : rot -14:sc= -1.23! USER MOD Set 4.1: A 71 SER OG : rot -170:sc= 0 USER MOD Set 4.2: A 82 GLN : amide:sc= -0.0195 X(o=-0.02,f=-0.026) USER MOD Set 5.1: A 28 THR OG1 : rot -35:sc= -1.8! USER MOD Set 5.2: A 31 SER OG : rot 101:sc= 0.543 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= -0.0379 USER MOD Single : A 13 GLN : amide:sc= 0.0156 K(o=0.016,f=-2.5!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 54:sc= 0.684 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 152:sc= -7.93! (180deg=-10!) USER MOD Single : A 35 SER OG : rot -10:sc= -1.84! USER MOD Single : A 43 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.0275) USER MOD Single : A 49 SER OG : rot -40:sc= 0.726 USER MOD Single : A 52 SER OG : rot 180:sc= -5.56! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 75 SER OG : rot 180:sc= 0.0964 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -5.49! C(o=-5.5!,f=-8.5!) USER MOD Single : A 78 THR OG1 : rot 175:sc= -0.419 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -118:sc= -27.5! (180deg=-32.1!) USER MOD Single : A 94 TYR OH : rot -30:sc= -2.13 USER MOD Single : A 100 LYS NZ :NH3+ 150:sc= -0.295 (180deg=-1.37!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= -0.77 USER MOD Single : A 106 TYR OH : rot 96:sc= -4.76! USER MOD Single : A 109 GLN :FLIP amide:sc= -0.41! F(o=-1.1,f=-0.41!) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.138 USER MOD ----------------------------------------------------------------- ATOM 10 N VAL A 2 -12.345 10.850 -12.540 1.00 0.00 N ATOM 11 CA VAL A 2 -11.422 9.723 -12.219 1.00 0.00 C ATOM 12 C VAL A 2 -12.202 8.408 -12.254 1.00 0.00 C ATOM 13 O VAL A 2 -13.398 8.375 -12.040 1.00 0.00 O ATOM 14 CB VAL A 2 -10.801 9.913 -10.823 1.00 0.00 C ATOM 15 CG1 VAL A 2 -9.289 10.122 -10.968 1.00 0.00 C ATOM 16 CG2 VAL A 2 -11.412 11.136 -10.131 1.00 0.00 C ATOM 0 HA VAL A 2 -10.621 9.702 -12.958 1.00 0.00 H new ATOM 0 HB VAL A 2 -11.002 9.026 -10.222 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.844 10.257 -9.982 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.846 9.250 -11.450 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.101 11.007 -11.575 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.964 11.258 -9.145 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -11.220 12.026 -10.730 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -12.488 10.995 -10.025 1.00 0.00 H new ATOM 17 N GLN A 3 -11.529 7.322 -12.518 1.00 0.00 N ATOM 18 CA GLN A 3 -12.221 5.998 -12.568 1.00 0.00 C ATOM 19 C GLN A 3 -11.143 4.931 -12.497 1.00 0.00 C ATOM 20 O GLN A 3 -10.461 4.670 -13.465 1.00 0.00 O ATOM 21 CB GLN A 3 -12.999 5.863 -13.879 1.00 0.00 C ATOM 22 CG GLN A 3 -14.495 5.749 -13.579 1.00 0.00 C ATOM 23 CD GLN A 3 -15.271 5.632 -14.893 1.00 0.00 C ATOM 24 OE1 GLN A 3 -16.016 6.522 -15.253 1.00 0.00 O ATOM 25 NE2 GLN A 3 -15.124 4.566 -15.630 1.00 0.00 N ATOM 0 H GLN A 3 -10.526 7.292 -12.702 1.00 0.00 H new ATOM 0 HA GLN A 3 -12.927 5.897 -11.743 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -12.810 6.727 -14.516 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -12.660 4.983 -14.426 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -14.686 4.878 -12.953 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -14.833 6.623 -13.021 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -14.499 3.819 -15.328 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -15.634 4.479 -16.509 1.00 0.00 H new ATOM 26 N LEU A 4 -10.932 4.356 -11.347 1.00 0.00 N ATOM 27 CA LEU A 4 -9.831 3.370 -11.236 1.00 0.00 C ATOM 28 C LEU A 4 -10.151 2.254 -10.251 1.00 0.00 C ATOM 29 O LEU A 4 -11.201 2.224 -9.648 1.00 0.00 O ATOM 30 CB LEU A 4 -8.567 4.083 -10.772 1.00 0.00 C ATOM 31 CG LEU A 4 -8.882 5.354 -9.972 1.00 0.00 C ATOM 32 CD1 LEU A 4 -9.498 6.432 -10.862 1.00 0.00 C ATOM 33 CD2 LEU A 4 -9.813 5.054 -8.787 1.00 0.00 C ATOM 0 H LEU A 4 -11.466 4.524 -10.494 1.00 0.00 H new ATOM 0 HA LEU A 4 -9.693 2.921 -12.220 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.974 3.406 -10.157 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.959 4.342 -11.638 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.936 5.728 -9.580 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.709 7.319 -10.265 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.800 6.688 -11.659 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.425 6.058 -11.298 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.016 5.976 -8.241 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.750 4.637 -9.157 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.334 4.336 -8.121 1.00 0.00 H new ATOM 34 N VAL A 5 -9.219 1.340 -10.093 1.00 0.00 N ATOM 35 CA VAL A 5 -9.413 0.192 -9.149 1.00 0.00 C ATOM 36 C VAL A 5 -8.182 -0.732 -9.217 1.00 0.00 C ATOM 37 O VAL A 5 -7.840 -1.242 -10.262 1.00 0.00 O ATOM 38 CB VAL A 5 -10.683 -0.594 -9.541 1.00 0.00 C ATOM 39 CG1 VAL A 5 -10.543 -2.073 -9.162 1.00 0.00 C ATOM 40 CG2 VAL A 5 -11.891 -0.015 -8.802 1.00 0.00 C ATOM 0 H VAL A 5 -8.324 1.342 -10.583 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.529 0.568 -8.132 1.00 0.00 H new ATOM 0 HB VAL A 5 -10.819 -0.509 -10.619 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -11.448 -2.609 -9.447 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.688 -2.503 -9.683 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.393 -2.160 -8.086 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.787 -0.570 -9.079 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -11.732 -0.095 -7.727 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -12.015 1.033 -9.073 1.00 0.00 H new ATOM 41 N GLU A 6 -7.538 -0.959 -8.100 1.00 0.00 N ATOM 42 CA GLU A 6 -6.340 -1.861 -8.062 1.00 0.00 C ATOM 43 C GLU A 6 -6.572 -3.089 -8.947 1.00 0.00 C ATOM 44 O GLU A 6 -7.672 -3.352 -9.390 1.00 0.00 O ATOM 45 CB GLU A 6 -6.136 -2.330 -6.627 1.00 0.00 C ATOM 46 CG GLU A 6 -7.472 -2.838 -6.087 1.00 0.00 C ATOM 47 CD GLU A 6 -7.629 -2.418 -4.630 1.00 0.00 C ATOM 48 OE1 GLU A 6 -8.159 -1.346 -4.395 1.00 0.00 O ATOM 49 OE2 GLU A 6 -7.228 -3.182 -3.772 1.00 0.00 O ATOM 0 H GLU A 6 -7.793 -0.553 -7.199 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.467 -1.317 -8.424 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.387 -3.121 -6.590 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.765 -1.511 -6.010 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.292 -2.436 -6.682 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -7.520 -3.924 -6.170 1.00 0.00 H new ATOM 50 N SER A 7 -5.544 -3.857 -9.195 1.00 0.00 N ATOM 51 CA SER A 7 -5.720 -5.072 -10.037 1.00 0.00 C ATOM 52 C SER A 7 -4.351 -5.614 -10.447 1.00 0.00 C ATOM 53 O SER A 7 -3.378 -4.887 -10.516 1.00 0.00 O ATOM 54 CB SER A 7 -6.523 -4.711 -11.287 1.00 0.00 C ATOM 55 OG SER A 7 -6.211 -5.626 -12.329 1.00 0.00 O ATOM 0 H SER A 7 -4.597 -3.696 -8.853 1.00 0.00 H new ATOM 0 HA SER A 7 -6.254 -5.834 -9.469 1.00 0.00 H new ATOM 0 HB2 SER A 7 -7.590 -4.742 -11.068 1.00 0.00 H new ATOM 0 HB3 SER A 7 -6.291 -3.693 -11.600 1.00 0.00 H new ATOM 0 HG SER A 7 -6.726 -5.397 -13.131 1.00 0.00 H new ATOM 56 N GLY A 8 -4.268 -6.887 -10.719 1.00 0.00 N ATOM 57 CA GLY A 8 -2.963 -7.474 -11.127 1.00 0.00 C ATOM 58 C GLY A 8 -2.745 -8.804 -10.402 1.00 0.00 C ATOM 59 O GLY A 8 -3.008 -9.861 -10.939 1.00 0.00 O ATOM 0 H GLY A 8 -5.047 -7.544 -10.676 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.945 -7.630 -12.206 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.153 -6.783 -10.891 1.00 0.00 H new ATOM 60 N GLY A 9 -2.258 -8.765 -9.190 1.00 0.00 N ATOM 61 CA GLY A 9 -2.019 -10.034 -8.446 1.00 0.00 C ATOM 62 C GLY A 9 -0.886 -10.796 -9.131 1.00 0.00 C ATOM 63 O GLY A 9 -0.958 -11.110 -10.302 1.00 0.00 O ATOM 0 H GLY A 9 -2.016 -7.912 -8.685 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.759 -9.821 -7.409 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -2.926 -10.639 -8.429 1.00 0.00 H new ATOM 64 N GLY A 10 0.167 -11.085 -8.419 1.00 0.00 N ATOM 65 CA GLY A 10 1.301 -11.811 -9.051 1.00 0.00 C ATOM 66 C GLY A 10 1.918 -12.798 -8.052 1.00 0.00 C ATOM 67 O GLY A 10 2.108 -12.486 -6.892 1.00 0.00 O ATOM 0 H GLY A 10 0.291 -10.852 -7.434 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.953 -12.346 -9.935 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.057 -11.100 -9.386 1.00 0.00 H new ATOM 68 N LEU A 11 2.257 -13.983 -8.499 1.00 0.00 N ATOM 69 CA LEU A 11 2.893 -14.965 -7.577 1.00 0.00 C ATOM 70 C LEU A 11 4.271 -14.412 -7.226 1.00 0.00 C ATOM 71 O LEU A 11 4.772 -13.558 -7.924 1.00 0.00 O ATOM 72 CB LEU A 11 3.031 -16.320 -8.273 1.00 0.00 C ATOM 73 CG LEU A 11 1.684 -17.044 -8.246 1.00 0.00 C ATOM 74 CD1 LEU A 11 1.721 -18.228 -9.216 1.00 0.00 C ATOM 75 CD2 LEU A 11 1.406 -17.550 -6.829 1.00 0.00 C ATOM 0 H LEU A 11 2.121 -14.308 -9.456 1.00 0.00 H new ATOM 0 HA LEU A 11 2.291 -15.109 -6.680 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.361 -16.181 -9.302 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.790 -16.922 -7.774 1.00 0.00 H new ATOM 0 HG LEU A 11 0.894 -16.355 -8.546 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.761 -18.744 -9.197 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.918 -17.866 -10.225 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.510 -18.918 -8.918 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.446 -18.066 -6.809 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.195 -18.239 -6.527 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.379 -16.706 -6.140 1.00 0.00 H new ATOM 76 N VAL A 12 4.893 -14.857 -6.165 1.00 0.00 N ATOM 77 CA VAL A 12 6.225 -14.280 -5.827 1.00 0.00 C ATOM 78 C VAL A 12 6.908 -15.047 -4.702 1.00 0.00 C ATOM 79 O VAL A 12 6.894 -14.624 -3.563 1.00 0.00 O ATOM 80 CB VAL A 12 6.043 -12.845 -5.350 1.00 0.00 C ATOM 81 CG1 VAL A 12 5.998 -11.901 -6.545 1.00 0.00 C ATOM 82 CG2 VAL A 12 4.741 -12.742 -4.553 1.00 0.00 C ATOM 0 H VAL A 12 4.546 -15.578 -5.532 1.00 0.00 H new ATOM 0 HA VAL A 12 6.840 -14.336 -6.725 1.00 0.00 H new ATOM 0 HB VAL A 12 6.882 -12.564 -4.714 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.868 -10.877 -6.195 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.930 -11.977 -7.104 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.164 -12.172 -7.192 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.605 -11.717 -4.209 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.902 -13.026 -5.188 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.787 -13.410 -3.693 1.00 0.00 H new ATOM 83 N GLN A 13 7.547 -16.128 -5.007 1.00 0.00 N ATOM 84 CA GLN A 13 8.285 -16.861 -3.933 1.00 0.00 C ATOM 85 C GLN A 13 9.253 -15.840 -3.296 1.00 0.00 C ATOM 86 O GLN A 13 9.196 -14.674 -3.637 1.00 0.00 O ATOM 87 CB GLN A 13 9.062 -18.039 -4.540 1.00 0.00 C ATOM 88 CG GLN A 13 8.340 -18.575 -5.780 1.00 0.00 C ATOM 89 CD GLN A 13 9.037 -18.062 -7.041 1.00 0.00 C ATOM 90 OE1 GLN A 13 8.599 -17.102 -7.643 1.00 0.00 O ATOM 91 NE2 GLN A 13 10.113 -18.665 -7.469 1.00 0.00 N ATOM 0 H GLN A 13 7.597 -16.541 -5.938 1.00 0.00 H new ATOM 0 HA GLN A 13 7.605 -17.270 -3.186 1.00 0.00 H new ATOM 0 HB2 GLN A 13 10.069 -17.719 -4.808 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.166 -18.833 -3.801 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.340 -19.665 -5.770 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.298 -18.256 -5.773 1.00 0.00 H new ATOM 0 HE21 GLN A 13 10.481 -19.471 -6.964 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.586 -18.330 -8.309 1.00 0.00 H new ATOM 92 N PRO A 14 10.117 -16.258 -2.399 1.00 0.00 N ATOM 93 CA PRO A 14 11.051 -15.319 -1.762 1.00 0.00 C ATOM 94 C PRO A 14 12.090 -14.823 -2.762 1.00 0.00 C ATOM 95 O PRO A 14 12.850 -15.585 -3.327 1.00 0.00 O ATOM 96 CB PRO A 14 11.682 -16.133 -0.628 1.00 0.00 C ATOM 97 CG PRO A 14 11.486 -17.613 -1.005 1.00 0.00 C ATOM 98 CD PRO A 14 10.265 -17.656 -1.943 1.00 0.00 C ATOM 0 HA PRO A 14 10.563 -14.418 -1.390 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.740 -15.895 -0.520 1.00 0.00 H new ATOM 0 HB3 PRO A 14 11.205 -15.907 0.326 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.372 -18.010 -1.500 1.00 0.00 H new ATOM 0 HG3 PRO A 14 11.317 -18.222 -0.117 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.428 -18.334 -2.781 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.373 -18.003 -1.422 1.00 0.00 H new ATOM 99 N GLY A 15 12.107 -13.539 -2.991 1.00 0.00 N ATOM 100 CA GLY A 15 13.071 -12.959 -3.962 1.00 0.00 C ATOM 101 C GLY A 15 12.427 -12.969 -5.346 1.00 0.00 C ATOM 102 O GLY A 15 13.096 -13.039 -6.359 1.00 0.00 O ATOM 0 H GLY A 15 11.489 -12.863 -2.542 1.00 0.00 H new ATOM 0 HA2 GLY A 15 13.334 -11.941 -3.673 1.00 0.00 H new ATOM 0 HA3 GLY A 15 13.995 -13.537 -3.970 1.00 0.00 H new ATOM 103 N GLY A 16 11.124 -12.917 -5.388 1.00 0.00 N ATOM 104 CA GLY A 16 10.415 -12.940 -6.695 1.00 0.00 C ATOM 105 C GLY A 16 10.199 -11.513 -7.211 1.00 0.00 C ATOM 106 O GLY A 16 11.116 -10.864 -7.674 1.00 0.00 O ATOM 0 H GLY A 16 10.519 -12.859 -4.569 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.994 -13.512 -7.420 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.454 -13.443 -6.586 1.00 0.00 H new ATOM 107 N SER A 17 8.988 -11.028 -7.141 1.00 0.00 N ATOM 108 CA SER A 17 8.691 -9.650 -7.631 1.00 0.00 C ATOM 109 C SER A 17 7.180 -9.521 -7.844 1.00 0.00 C ATOM 110 O SER A 17 6.591 -10.249 -8.620 1.00 0.00 O ATOM 111 CB SER A 17 9.420 -9.410 -8.954 1.00 0.00 C ATOM 112 OG SER A 17 8.565 -8.703 -9.844 1.00 0.00 O ATOM 0 H SER A 17 8.186 -11.531 -6.762 1.00 0.00 H new ATOM 0 HA SER A 17 9.027 -8.913 -6.901 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.333 -8.841 -8.780 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.717 -10.361 -9.396 1.00 0.00 H new ATOM 0 HG SER A 17 9.032 -8.547 -10.692 1.00 0.00 H new ATOM 113 N LEU A 18 6.540 -8.613 -7.154 1.00 0.00 N ATOM 114 CA LEU A 18 5.069 -8.459 -7.314 1.00 0.00 C ATOM 115 C LEU A 18 4.784 -7.703 -8.595 1.00 0.00 C ATOM 116 O LEU A 18 5.580 -6.908 -9.051 1.00 0.00 O ATOM 117 CB LEU A 18 4.497 -7.665 -6.139 1.00 0.00 C ATOM 118 CG LEU A 18 3.867 -8.614 -5.115 1.00 0.00 C ATOM 119 CD1 LEU A 18 4.752 -9.841 -4.937 1.00 0.00 C ATOM 120 CD2 LEU A 18 3.734 -7.913 -3.763 1.00 0.00 C ATOM 0 H LEU A 18 6.974 -7.974 -6.488 1.00 0.00 H new ATOM 0 HA LEU A 18 4.609 -9.446 -7.347 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.287 -7.081 -5.667 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.749 -6.958 -6.498 1.00 0.00 H new ATOM 0 HG LEU A 18 2.882 -8.911 -5.477 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.300 -10.513 -4.208 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.855 -10.357 -5.892 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.736 -9.532 -4.584 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.285 -8.596 -3.042 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.720 -7.611 -3.411 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.102 -7.032 -3.871 1.00 0.00 H new ATOM 121 N ARG A 19 3.649 -7.933 -9.177 1.00 0.00 N ATOM 122 CA ARG A 19 3.313 -7.218 -10.424 1.00 0.00 C ATOM 123 C ARG A 19 1.828 -6.868 -10.410 1.00 0.00 C ATOM 124 O ARG A 19 1.030 -7.481 -11.092 1.00 0.00 O ATOM 125 CB ARG A 19 3.626 -8.107 -11.622 1.00 0.00 C ATOM 126 CG ARG A 19 3.135 -7.431 -12.903 1.00 0.00 C ATOM 127 CD ARG A 19 3.972 -7.909 -14.091 1.00 0.00 C ATOM 128 NE ARG A 19 4.246 -6.759 -14.999 1.00 0.00 N ATOM 129 CZ ARG A 19 3.798 -6.774 -16.225 1.00 0.00 C ATOM 130 NH1 ARG A 19 4.188 -7.708 -17.050 1.00 0.00 N ATOM 131 NH2 ARG A 19 2.962 -5.856 -16.625 1.00 0.00 N ATOM 0 H ARG A 19 2.940 -8.586 -8.842 1.00 0.00 H new ATOM 0 HA ARG A 19 3.902 -6.304 -10.498 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.699 -8.289 -11.683 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.145 -9.078 -11.503 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.083 -7.665 -13.069 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.209 -6.348 -12.806 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.909 -8.340 -13.739 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.442 -8.694 -14.630 1.00 0.00 H new ATOM 0 HE ARG A 19 4.784 -5.960 -14.662 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.842 -8.425 -16.736 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.838 -7.721 -18.008 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.658 -5.127 -15.980 1.00 0.00 H new ATOM 0 HH22 ARG A 19 2.612 -5.868 -17.583 1.00 0.00 H new ATOM 132 N LEU A 20 1.445 -5.886 -9.643 1.00 0.00 N ATOM 133 CA LEU A 20 -0.004 -5.511 -9.604 1.00 0.00 C ATOM 134 C LEU A 20 -0.201 -4.175 -10.318 1.00 0.00 C ATOM 135 O LEU A 20 0.547 -3.834 -11.213 1.00 0.00 O ATOM 136 CB LEU A 20 -0.509 -5.417 -8.156 1.00 0.00 C ATOM 137 CG LEU A 20 0.177 -6.469 -7.286 1.00 0.00 C ATOM 138 CD1 LEU A 20 0.224 -7.818 -8.017 1.00 0.00 C ATOM 139 CD2 LEU A 20 1.595 -6.003 -6.972 1.00 0.00 C ATOM 0 H LEU A 20 2.060 -5.331 -9.047 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.580 -6.285 -10.111 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.311 -4.421 -7.759 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.589 -5.562 -8.130 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.386 -6.596 -6.361 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.716 -8.557 -7.385 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.791 -8.147 -8.239 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.781 -7.708 -8.947 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.093 -6.747 -6.351 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.150 -5.875 -7.901 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.556 -5.053 -6.439 1.00 0.00 H new ATOM 140 N SER A 21 -1.205 -3.419 -9.961 1.00 0.00 N ATOM 141 CA SER A 21 -1.418 -2.130 -10.669 1.00 0.00 C ATOM 142 C SER A 21 -2.701 -1.434 -10.203 1.00 0.00 C ATOM 143 O SER A 21 -3.647 -2.062 -9.771 1.00 0.00 O ATOM 144 CB SER A 21 -1.552 -2.429 -12.155 1.00 0.00 C ATOM 145 OG SER A 21 -1.966 -3.778 -12.332 1.00 0.00 O ATOM 0 H SER A 21 -1.875 -3.635 -9.223 1.00 0.00 H new ATOM 0 HA SER A 21 -0.575 -1.473 -10.458 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.276 -1.753 -12.609 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.600 -2.261 -12.658 1.00 0.00 H new ATOM 0 HG SER A 21 -2.780 -3.942 -11.811 1.00 0.00 H new ATOM 146 N CYS A 22 -2.742 -0.131 -10.329 1.00 0.00 N ATOM 147 CA CYS A 22 -3.958 0.632 -9.946 1.00 0.00 C ATOM 148 C CYS A 22 -4.731 0.971 -11.221 1.00 0.00 C ATOM 149 O CYS A 22 -4.362 1.867 -11.958 1.00 0.00 O ATOM 150 CB CYS A 22 -3.558 1.937 -9.244 1.00 0.00 C ATOM 151 SG CYS A 22 -3.773 1.775 -7.451 1.00 0.00 S ATOM 0 H CYS A 22 -1.974 0.438 -10.685 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.570 0.036 -9.269 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -2.520 2.178 -9.473 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.166 2.761 -9.618 1.00 0.00 H new ATOM 152 N ALA A 23 -5.794 0.261 -11.496 1.00 0.00 N ATOM 153 CA ALA A 23 -6.582 0.558 -12.726 1.00 0.00 C ATOM 154 C ALA A 23 -6.854 2.060 -12.762 1.00 0.00 C ATOM 155 O ALA A 23 -6.694 2.731 -11.769 1.00 0.00 O ATOM 156 CB ALA A 23 -7.906 -0.213 -12.695 1.00 0.00 C ATOM 0 H ALA A 23 -6.148 -0.507 -10.925 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.027 0.254 -13.614 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.477 0.008 -13.597 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.703 -1.283 -12.648 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.481 0.086 -11.819 1.00 0.00 H new ATOM 157 N ALA A 24 -7.263 2.592 -13.886 1.00 0.00 N ATOM 158 CA ALA A 24 -7.535 4.061 -13.961 1.00 0.00 C ATOM 159 C ALA A 24 -7.732 4.489 -15.423 1.00 0.00 C ATOM 160 O ALA A 24 -6.992 4.095 -16.313 1.00 0.00 O ATOM 161 CB ALA A 24 -6.358 4.838 -13.359 1.00 0.00 C ATOM 0 H ALA A 24 -7.420 2.076 -14.752 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.443 4.278 -13.398 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.561 5.907 -13.416 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.226 4.549 -12.316 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.449 4.611 -13.916 1.00 0.00 H new ATOM 162 N SER A 25 -8.726 5.303 -15.676 1.00 0.00 N ATOM 163 CA SER A 25 -8.979 5.766 -17.071 1.00 0.00 C ATOM 164 C SER A 25 -9.725 7.101 -17.036 1.00 0.00 C ATOM 165 O SER A 25 -10.502 7.367 -16.141 1.00 0.00 O ATOM 166 CB SER A 25 -9.832 4.729 -17.806 1.00 0.00 C ATOM 167 OG SER A 25 -10.338 5.301 -19.005 1.00 0.00 O ATOM 0 H SER A 25 -9.372 5.666 -14.975 1.00 0.00 H new ATOM 0 HA SER A 25 -8.029 5.891 -17.590 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.235 3.846 -18.035 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.655 4.402 -17.170 1.00 0.00 H new ATOM 0 HG SER A 25 -10.883 4.639 -19.479 1.00 0.00 H new ATOM 168 N GLY A 26 -9.497 7.946 -18.004 1.00 0.00 N ATOM 169 CA GLY A 26 -10.194 9.263 -18.021 1.00 0.00 C ATOM 170 C GLY A 26 -9.321 10.310 -17.331 1.00 0.00 C ATOM 171 O GLY A 26 -9.375 11.483 -17.644 1.00 0.00 O ATOM 0 H GLY A 26 -8.859 7.782 -18.783 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.399 9.565 -19.048 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -11.156 9.184 -17.514 1.00 0.00 H new ATOM 172 N PHE A 27 -8.520 9.896 -16.388 1.00 0.00 N ATOM 173 CA PHE A 27 -7.647 10.867 -15.671 1.00 0.00 C ATOM 174 C PHE A 27 -6.182 10.413 -15.760 1.00 0.00 C ATOM 175 O PHE A 27 -5.284 11.148 -15.414 1.00 0.00 O ATOM 176 CB PHE A 27 -8.087 10.945 -14.192 1.00 0.00 C ATOM 177 CG PHE A 27 -7.196 10.072 -13.323 1.00 0.00 C ATOM 178 CD1 PHE A 27 -5.904 10.505 -13.000 1.00 0.00 C ATOM 179 CD2 PHE A 27 -7.651 8.830 -12.861 1.00 0.00 C ATOM 180 CE1 PHE A 27 -5.069 9.710 -12.224 1.00 0.00 C ATOM 181 CE2 PHE A 27 -6.812 8.028 -12.075 1.00 0.00 C ATOM 182 CZ PHE A 27 -5.519 8.467 -11.757 1.00 0.00 C ATOM 0 H PHE A 27 -8.433 8.927 -16.083 1.00 0.00 H new ATOM 0 HA PHE A 27 -7.738 11.852 -16.130 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.041 11.978 -13.847 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.124 10.623 -14.098 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.554 11.463 -13.356 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.646 8.491 -13.110 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.073 10.050 -11.981 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.162 7.072 -11.714 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.871 7.849 -11.153 1.00 0.00 H new ATOM 183 N THR A 28 -5.951 9.193 -16.172 1.00 0.00 N ATOM 184 CA THR A 28 -4.560 8.651 -16.240 1.00 0.00 C ATOM 185 C THR A 28 -4.107 8.291 -14.817 1.00 0.00 C ATOM 186 O THR A 28 -4.844 7.666 -14.082 1.00 0.00 O ATOM 187 CB THR A 28 -3.595 9.654 -16.894 1.00 0.00 C ATOM 188 OG1 THR A 28 -3.178 10.625 -15.950 1.00 0.00 O ATOM 189 CG2 THR A 28 -4.292 10.345 -18.068 1.00 0.00 C ATOM 0 H THR A 28 -6.677 8.541 -16.468 1.00 0.00 H new ATOM 0 HA THR A 28 -4.550 7.758 -16.865 1.00 0.00 H new ATOM 0 HB THR A 28 -2.719 9.115 -17.254 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.914 10.818 -15.333 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.607 11.056 -18.531 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.592 9.599 -18.804 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.174 10.874 -17.707 1.00 0.00 H new ATOM 190 N PHE A 29 -2.904 8.627 -14.420 1.00 0.00 N ATOM 191 CA PHE A 29 -2.444 8.235 -13.046 1.00 0.00 C ATOM 192 C PHE A 29 -1.339 9.183 -12.583 1.00 0.00 C ATOM 193 O PHE A 29 -1.297 9.607 -11.445 1.00 0.00 O ATOM 194 CB PHE A 29 -1.896 6.807 -13.091 1.00 0.00 C ATOM 195 CG PHE A 29 -2.479 6.128 -14.295 1.00 0.00 C ATOM 196 CD1 PHE A 29 -1.997 6.445 -15.573 1.00 0.00 C ATOM 197 CD2 PHE A 29 -3.538 5.231 -14.146 1.00 0.00 C ATOM 198 CE1 PHE A 29 -2.574 5.857 -16.692 1.00 0.00 C ATOM 199 CE2 PHE A 29 -4.108 4.647 -15.267 1.00 0.00 C ATOM 200 CZ PHE A 29 -3.627 4.962 -16.540 1.00 0.00 C ATOM 0 H PHE A 29 -2.227 9.148 -14.977 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.282 8.291 -12.352 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.808 6.818 -13.148 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.162 6.267 -12.182 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.181 7.143 -15.687 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.912 4.993 -13.161 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.205 6.095 -17.679 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.924 3.948 -15.156 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.076 4.508 -17.411 1.00 0.00 H new ATOM 201 N SER A 30 -0.449 9.522 -13.470 1.00 0.00 N ATOM 202 CA SER A 30 0.658 10.448 -13.112 1.00 0.00 C ATOM 203 C SER A 30 0.229 11.863 -13.473 1.00 0.00 C ATOM 204 O SER A 30 0.672 12.830 -12.885 1.00 0.00 O ATOM 205 CB SER A 30 1.915 10.078 -13.899 1.00 0.00 C ATOM 206 OG SER A 30 2.626 11.264 -14.233 1.00 0.00 O ATOM 0 H SER A 30 -0.441 9.194 -14.436 1.00 0.00 H new ATOM 0 HA SER A 30 0.877 10.378 -12.046 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.547 9.416 -13.307 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.644 9.535 -14.805 1.00 0.00 H new ATOM 0 HG SER A 30 3.434 11.030 -14.736 1.00 0.00 H new ATOM 207 N SER A 31 -0.644 11.991 -14.433 1.00 0.00 N ATOM 208 CA SER A 31 -1.114 13.350 -14.816 1.00 0.00 C ATOM 209 C SER A 31 -1.630 14.043 -13.561 1.00 0.00 C ATOM 210 O SER A 31 -1.344 15.197 -13.311 1.00 0.00 O ATOM 211 CB SER A 31 -2.242 13.249 -15.845 1.00 0.00 C ATOM 212 OG SER A 31 -1.737 12.677 -17.045 1.00 0.00 O ATOM 0 H SER A 31 -1.049 11.220 -14.965 1.00 0.00 H new ATOM 0 HA SER A 31 -0.294 13.916 -15.257 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.054 12.638 -15.452 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.655 14.237 -16.046 1.00 0.00 H new ATOM 0 HG SER A 31 -1.990 11.731 -17.088 1.00 0.00 H new ATOM 213 N TYR A 32 -2.380 13.338 -12.755 1.00 0.00 N ATOM 214 CA TYR A 32 -2.902 13.950 -11.502 1.00 0.00 C ATOM 215 C TYR A 32 -2.246 13.266 -10.307 1.00 0.00 C ATOM 216 O TYR A 32 -2.712 13.356 -9.188 1.00 0.00 O ATOM 217 CB TYR A 32 -4.418 13.768 -11.436 1.00 0.00 C ATOM 218 CG TYR A 32 -5.020 14.211 -12.744 1.00 0.00 C ATOM 219 CD1 TYR A 32 -4.784 13.466 -13.902 1.00 0.00 C ATOM 220 CD2 TYR A 32 -5.809 15.366 -12.801 1.00 0.00 C ATOM 221 CE1 TYR A 32 -5.337 13.872 -15.122 1.00 0.00 C ATOM 222 CE2 TYR A 32 -6.363 15.775 -14.021 1.00 0.00 C ATOM 223 CZ TYR A 32 -6.127 15.027 -15.181 1.00 0.00 C ATOM 224 OH TYR A 32 -6.675 15.426 -16.383 1.00 0.00 O ATOM 0 H TYR A 32 -2.652 12.367 -12.911 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.672 15.015 -11.486 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.664 12.724 -11.242 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -4.832 14.351 -10.614 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.174 12.576 -13.856 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -5.990 15.941 -11.905 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -5.155 13.295 -16.017 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.971 16.666 -14.067 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.196 16.245 -16.249 1.00 0.00 H new ATOM 225 N ALA A 33 -1.163 12.581 -10.542 1.00 0.00 N ATOM 226 CA ALA A 33 -0.461 11.884 -9.432 1.00 0.00 C ATOM 227 C ALA A 33 -1.448 10.974 -8.700 1.00 0.00 C ATOM 228 O ALA A 33 -2.643 11.043 -8.909 1.00 0.00 O ATOM 229 CB ALA A 33 0.103 12.917 -8.458 1.00 0.00 C ATOM 0 H ALA A 33 -0.732 12.474 -11.460 1.00 0.00 H new ATOM 0 HA ALA A 33 0.355 11.284 -9.835 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.618 12.407 -7.644 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.806 13.565 -8.982 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.711 13.517 -8.052 1.00 0.00 H new ATOM 230 N MET A 34 -0.962 10.121 -7.841 1.00 0.00 N ATOM 231 CA MET A 34 -1.867 9.213 -7.102 1.00 0.00 C ATOM 232 C MET A 34 -1.054 8.474 -6.047 1.00 0.00 C ATOM 233 O MET A 34 0.051 8.856 -5.721 1.00 0.00 O ATOM 234 CB MET A 34 -2.492 8.205 -8.076 1.00 0.00 C ATOM 235 CG MET A 34 -1.388 7.500 -8.875 1.00 0.00 C ATOM 236 SD MET A 34 -0.662 6.166 -7.884 1.00 0.00 S ATOM 237 CE MET A 34 -1.864 4.873 -8.289 1.00 0.00 C ATOM 0 H MET A 34 0.029 10.018 -7.622 1.00 0.00 H new ATOM 0 HA MET A 34 -2.664 9.784 -6.625 1.00 0.00 H new ATOM 0 HB2 MET A 34 -3.080 7.471 -7.526 1.00 0.00 H new ATOM 0 HB3 MET A 34 -3.174 8.717 -8.755 1.00 0.00 H new ATOM 0 HG2 MET A 34 -1.799 7.095 -9.800 1.00 0.00 H new ATOM 0 HG3 MET A 34 -0.616 8.217 -9.156 1.00 0.00 H new ATOM 0 HE1 MET A 34 -1.385 3.896 -8.219 1.00 0.00 H new ATOM 0 HE2 MET A 34 -2.698 4.920 -7.589 1.00 0.00 H new ATOM 0 HE3 MET A 34 -2.233 5.024 -9.304 1.00 0.00 H new ATOM 238 N SER A 35 -1.589 7.417 -5.524 1.00 0.00 N ATOM 239 CA SER A 35 -0.855 6.631 -4.502 1.00 0.00 C ATOM 240 C SER A 35 -1.622 5.346 -4.289 1.00 0.00 C ATOM 241 O SER A 35 -2.794 5.277 -4.608 1.00 0.00 O ATOM 242 CB SER A 35 -0.793 7.411 -3.193 1.00 0.00 C ATOM 243 OG SER A 35 -0.132 8.651 -3.411 1.00 0.00 O ATOM 0 H SER A 35 -2.514 7.058 -5.762 1.00 0.00 H new ATOM 0 HA SER A 35 0.164 6.428 -4.831 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.800 7.585 -2.813 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.263 6.832 -2.437 1.00 0.00 H new ATOM 0 HG SER A 35 0.274 8.653 -4.303 1.00 0.00 H new ATOM 244 N TRP A 36 -1.030 4.302 -3.777 1.00 0.00 N ATOM 245 CA TRP A 36 -1.884 3.112 -3.647 1.00 0.00 C ATOM 246 C TRP A 36 -1.249 1.926 -2.911 1.00 0.00 C ATOM 247 O TRP A 36 -0.033 1.820 -2.726 1.00 0.00 O ATOM 248 CB TRP A 36 -2.335 2.729 -5.054 1.00 0.00 C ATOM 249 CG TRP A 36 -1.400 1.780 -5.697 1.00 0.00 C ATOM 250 CD1 TRP A 36 -0.232 2.104 -6.300 1.00 0.00 C ATOM 251 CD2 TRP A 36 -1.566 0.347 -5.846 1.00 0.00 C ATOM 252 NE1 TRP A 36 0.321 0.964 -6.814 1.00 0.00 N ATOM 253 CE2 TRP A 36 -0.457 -0.161 -6.546 1.00 0.00 C ATOM 254 CE3 TRP A 36 -2.565 -0.555 -5.430 1.00 0.00 C ATOM 255 CZ2 TRP A 36 -0.345 -1.530 -6.826 1.00 0.00 C ATOM 256 CZ3 TRP A 36 -2.451 -1.919 -5.704 1.00 0.00 C ATOM 257 CH2 TRP A 36 -1.346 -2.408 -6.397 1.00 0.00 C ATOM 0 H TRP A 36 -0.062 4.227 -3.466 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.728 3.371 -3.007 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.329 2.283 -5.007 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.417 3.628 -5.666 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.191 3.095 -6.364 1.00 0.00 H new ATOM 0 HE1 TRP A 36 1.199 0.940 -7.332 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.428 -0.188 -4.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 0.509 -1.905 -7.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.224 -2.599 -5.377 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.262 -3.465 -6.603 1.00 0.00 H new ATOM 258 N VAL A 37 -2.150 1.056 -2.490 1.00 0.00 N ATOM 259 CA VAL A 37 -1.842 -0.187 -1.727 1.00 0.00 C ATOM 260 C VAL A 37 -2.329 0.015 -0.274 1.00 0.00 C ATOM 261 O VAL A 37 -2.996 0.983 -0.038 1.00 0.00 O ATOM 262 CB VAL A 37 -0.353 -0.520 -1.815 1.00 0.00 C ATOM 263 CG1 VAL A 37 -0.110 -1.848 -1.144 1.00 0.00 C ATOM 264 CG2 VAL A 37 0.056 -0.647 -3.278 1.00 0.00 C ATOM 0 H VAL A 37 -3.148 1.178 -2.663 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.362 -1.045 -2.153 1.00 0.00 H new ATOM 0 HB VAL A 37 0.223 0.269 -1.332 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.950 -2.096 -1.201 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.413 -1.788 -0.099 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.691 -2.621 -1.647 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.118 -0.884 -3.340 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.522 -1.442 -3.750 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.136 0.295 -3.792 1.00 0.00 H new ATOM 265 N ARG A 38 -2.042 -0.893 0.671 1.00 0.00 N ATOM 266 CA ARG A 38 -2.491 -0.763 2.108 1.00 0.00 C ATOM 267 C ARG A 38 -3.396 -1.926 2.551 1.00 0.00 C ATOM 268 O ARG A 38 -4.583 -1.751 2.739 1.00 0.00 O ATOM 269 CB ARG A 38 -3.224 0.555 2.413 1.00 0.00 C ATOM 270 CG ARG A 38 -2.209 1.619 2.845 1.00 0.00 C ATOM 271 CD ARG A 38 -1.658 2.348 1.620 1.00 0.00 C ATOM 272 NE ARG A 38 -0.814 3.496 2.063 1.00 0.00 N ATOM 273 CZ ARG A 38 -1.102 4.707 1.668 1.00 0.00 C ATOM 274 NH1 ARG A 38 -1.054 5.007 0.399 1.00 0.00 N ATOM 275 NH2 ARG A 38 -1.435 5.620 2.542 1.00 0.00 N ATOM 0 H ARG A 38 -1.500 -1.737 0.487 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.559 -0.781 2.673 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.768 0.893 1.531 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -3.961 0.399 3.201 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.683 2.332 3.519 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.393 1.152 3.397 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.068 1.663 1.011 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.478 2.705 0.996 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.013 3.335 2.674 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.792 4.296 -0.284 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.279 5.953 0.090 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.470 5.387 3.534 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.660 6.565 2.232 1.00 0.00 H new ATOM 276 N GLN A 39 -2.836 -3.090 2.794 1.00 0.00 N ATOM 277 CA GLN A 39 -3.655 -4.232 3.306 1.00 0.00 C ATOM 278 C GLN A 39 -2.799 -5.499 3.360 1.00 0.00 C ATOM 279 O GLN A 39 -1.675 -5.513 2.899 1.00 0.00 O ATOM 280 CB GLN A 39 -4.870 -4.459 2.423 1.00 0.00 C ATOM 281 CG GLN A 39 -6.055 -4.863 3.306 1.00 0.00 C ATOM 282 CD GLN A 39 -6.842 -3.615 3.705 1.00 0.00 C ATOM 283 OE1 GLN A 39 -6.281 -2.670 4.224 1.00 0.00 O ATOM 284 NE2 GLN A 39 -8.127 -3.569 3.483 1.00 0.00 N ATOM 0 H GLN A 39 -1.846 -3.296 2.659 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.002 -3.990 4.310 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.106 -3.552 1.866 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.663 -5.238 1.690 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.702 -5.558 2.770 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.699 -5.381 4.196 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.598 -4.362 3.047 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.660 -2.740 3.745 1.00 0.00 H new ATOM 285 N ALA A 40 -3.304 -6.562 3.941 1.00 0.00 N ATOM 286 CA ALA A 40 -2.492 -7.807 4.035 1.00 0.00 C ATOM 287 C ALA A 40 -3.282 -8.907 4.769 1.00 0.00 C ATOM 288 O ALA A 40 -4.352 -8.659 5.288 1.00 0.00 O ATOM 289 CB ALA A 40 -1.216 -7.483 4.813 1.00 0.00 C ATOM 0 H ALA A 40 -4.237 -6.617 4.350 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.250 -8.169 3.036 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.603 -8.380 4.896 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.657 -6.708 4.288 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.478 -7.129 5.810 1.00 0.00 H new ATOM 290 N PRO A 41 -2.714 -10.094 4.789 1.00 0.00 N ATOM 291 CA PRO A 41 -3.320 -11.275 5.450 1.00 0.00 C ATOM 292 C PRO A 41 -3.134 -11.171 6.964 1.00 0.00 C ATOM 293 O PRO A 41 -2.172 -11.677 7.509 1.00 0.00 O ATOM 294 CB PRO A 41 -2.497 -12.446 4.906 1.00 0.00 C ATOM 295 CG PRO A 41 -1.145 -11.845 4.456 1.00 0.00 C ATOM 296 CD PRO A 41 -1.411 -10.366 4.151 1.00 0.00 C ATOM 0 HA PRO A 41 -4.389 -11.375 5.261 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.350 -13.208 5.671 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.007 -12.927 4.071 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.393 -11.952 5.238 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.764 -12.361 3.575 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.627 -9.728 4.559 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.447 -10.181 3.077 1.00 0.00 H new ATOM 297 N GLY A 42 -4.014 -10.497 7.653 1.00 0.00 N ATOM 298 CA GLY A 42 -3.826 -10.352 9.123 1.00 0.00 C ATOM 299 C GLY A 42 -2.394 -9.898 9.364 1.00 0.00 C ATOM 300 O GLY A 42 -1.841 -10.054 10.435 1.00 0.00 O ATOM 0 H GLY A 42 -4.844 -10.046 7.268 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.531 -9.626 9.529 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.017 -11.299 9.628 1.00 0.00 H new ATOM 301 N LYS A 43 -1.804 -9.306 8.364 1.00 0.00 N ATOM 302 CA LYS A 43 -0.425 -8.797 8.494 1.00 0.00 C ATOM 303 C LYS A 43 -0.526 -7.276 8.543 1.00 0.00 C ATOM 304 O LYS A 43 0.419 -6.564 8.285 1.00 0.00 O ATOM 305 CB LYS A 43 0.400 -9.250 7.278 1.00 0.00 C ATOM 306 CG LYS A 43 1.737 -8.501 7.235 1.00 0.00 C ATOM 307 CD LYS A 43 2.330 -8.401 8.645 1.00 0.00 C ATOM 308 CE LYS A 43 2.690 -9.799 9.150 1.00 0.00 C ATOM 309 NZ LYS A 43 2.497 -9.857 10.626 1.00 0.00 N ATOM 0 H LYS A 43 -2.232 -9.154 7.451 1.00 0.00 H new ATOM 0 HA LYS A 43 0.066 -9.176 9.390 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.578 -10.324 7.330 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.159 -9.064 6.361 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.433 -9.020 6.575 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.591 -7.503 6.822 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.217 -7.768 8.633 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.613 -7.933 9.320 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.065 -10.546 8.661 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.724 -10.034 8.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.000 -10.682 11.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.873 -8.990 11.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.483 -9.939 10.841 1.00 0.00 H new ATOM 310 N GLU A 44 -1.698 -6.787 8.878 1.00 0.00 N ATOM 311 CA GLU A 44 -1.924 -5.321 8.956 1.00 0.00 C ATOM 312 C GLU A 44 -1.744 -4.710 7.567 1.00 0.00 C ATOM 313 O GLU A 44 -1.310 -5.375 6.647 1.00 0.00 O ATOM 314 CB GLU A 44 -0.959 -4.719 9.986 1.00 0.00 C ATOM 315 CG GLU A 44 0.341 -4.220 9.331 1.00 0.00 C ATOM 316 CD GLU A 44 0.396 -2.694 9.409 1.00 0.00 C ATOM 317 OE1 GLU A 44 -0.526 -2.062 8.919 1.00 0.00 O ATOM 318 OE2 GLU A 44 1.358 -2.183 9.956 1.00 0.00 O ATOM 0 H GLU A 44 -2.514 -7.356 9.102 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.940 -5.101 9.284 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.447 -3.891 10.501 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.721 -5.468 10.741 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.205 -4.652 9.836 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.385 -4.544 8.291 1.00 0.00 H new ATOM 319 N ARG A 45 -2.088 -3.464 7.392 1.00 0.00 N ATOM 320 CA ARG A 45 -1.939 -2.856 6.041 1.00 0.00 C ATOM 321 C ARG A 45 -0.537 -3.091 5.520 1.00 0.00 C ATOM 322 O ARG A 45 0.268 -3.784 6.109 1.00 0.00 O ATOM 323 CB ARG A 45 -2.147 -1.347 6.082 1.00 0.00 C ATOM 324 CG ARG A 45 -3.549 -0.998 5.589 1.00 0.00 C ATOM 325 CD ARG A 45 -3.996 0.320 6.216 1.00 0.00 C ATOM 326 NE ARG A 45 -3.919 0.213 7.701 1.00 0.00 N ATOM 327 CZ ARG A 45 -4.278 1.220 8.448 1.00 0.00 C ATOM 328 NH1 ARG A 45 -3.635 2.354 8.370 1.00 0.00 N ATOM 329 NH2 ARG A 45 -5.280 1.095 9.273 1.00 0.00 N ATOM 0 H ARG A 45 -2.461 -2.848 8.115 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.688 -3.320 5.400 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.009 -0.980 7.099 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.401 -0.852 5.461 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.554 -0.916 4.502 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.247 -1.793 5.852 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.363 1.135 5.866 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.016 0.554 5.910 1.00 0.00 H new ATOM 0 HE ARG A 45 -3.585 -0.649 8.133 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -2.851 2.453 7.724 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -3.916 3.141 8.955 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -5.783 0.210 9.334 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -5.561 1.882 9.857 1.00 0.00 H new ATOM 330 N GLU A 46 -0.246 -2.488 4.413 1.00 0.00 N ATOM 331 CA GLU A 46 1.089 -2.623 3.812 1.00 0.00 C ATOM 332 C GLU A 46 1.036 -1.962 2.444 1.00 0.00 C ATOM 333 O GLU A 46 0.543 -2.532 1.492 1.00 0.00 O ATOM 334 CB GLU A 46 1.436 -4.102 3.674 1.00 0.00 C ATOM 335 CG GLU A 46 2.876 -4.334 4.137 1.00 0.00 C ATOM 336 CD GLU A 46 2.873 -5.098 5.463 1.00 0.00 C ATOM 337 OE1 GLU A 46 2.598 -6.287 5.438 1.00 0.00 O ATOM 338 OE2 GLU A 46 3.148 -4.483 6.481 1.00 0.00 O ATOM 0 H GLU A 46 -0.893 -1.896 3.892 1.00 0.00 H new ATOM 0 HA GLU A 46 1.851 -2.151 4.432 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.750 -4.704 4.269 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.321 -4.418 2.637 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.425 -4.898 3.382 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.388 -3.379 4.257 1.00 0.00 H new ATOM 339 N ILE A 47 1.518 -0.754 2.345 1.00 0.00 N ATOM 340 CA ILE A 47 1.488 -0.047 1.041 1.00 0.00 C ATOM 341 C ILE A 47 2.523 -0.685 0.131 1.00 0.00 C ATOM 342 O ILE A 47 3.256 -1.569 0.525 1.00 0.00 O ATOM 343 CB ILE A 47 1.849 1.438 1.242 1.00 0.00 C ATOM 344 CG1 ILE A 47 1.338 2.264 0.038 1.00 0.00 C ATOM 345 CG2 ILE A 47 3.367 1.586 1.387 1.00 0.00 C ATOM 346 CD1 ILE A 47 2.487 2.672 -0.921 1.00 0.00 C ATOM 0 H ILE A 47 1.932 -0.228 3.115 1.00 0.00 H new ATOM 0 HA ILE A 47 0.492 -0.118 0.604 1.00 0.00 H new ATOM 0 HB ILE A 47 1.374 1.809 2.150 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.597 1.683 -0.511 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.835 3.160 0.401 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.618 2.637 1.529 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.708 1.012 2.249 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.856 1.214 0.487 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.080 3.250 -1.751 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.215 3.276 -0.380 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.974 1.777 -1.307 1.00 0.00 H new ATOM 347 N VAL A 48 2.619 -0.214 -1.065 1.00 0.00 N ATOM 348 CA VAL A 48 3.644 -0.745 -1.971 1.00 0.00 C ATOM 349 C VAL A 48 4.213 0.409 -2.778 1.00 0.00 C ATOM 350 O VAL A 48 5.391 0.447 -3.062 1.00 0.00 O ATOM 351 CB VAL A 48 3.076 -1.791 -2.909 1.00 0.00 C ATOM 352 CG1 VAL A 48 4.204 -2.273 -3.807 1.00 0.00 C ATOM 353 CG2 VAL A 48 2.547 -2.973 -2.099 1.00 0.00 C ATOM 0 H VAL A 48 2.028 0.520 -1.455 1.00 0.00 H new ATOM 0 HA VAL A 48 4.422 -1.225 -1.378 1.00 0.00 H new ATOM 0 HB VAL A 48 2.263 -1.368 -3.499 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.824 -3.029 -4.495 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.601 -1.432 -4.375 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.997 -2.705 -3.196 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.139 -3.724 -2.775 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.360 -3.410 -1.520 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.764 -2.630 -1.423 1.00 0.00 H new ATOM 354 N SER A 49 3.415 1.377 -3.147 1.00 0.00 N ATOM 355 CA SER A 49 4.023 2.487 -3.916 1.00 0.00 C ATOM 356 C SER A 49 2.999 3.535 -4.322 1.00 0.00 C ATOM 357 O SER A 49 1.817 3.274 -4.453 1.00 0.00 O ATOM 358 CB SER A 49 4.694 1.919 -5.166 1.00 0.00 C ATOM 359 OG SER A 49 6.075 2.252 -5.154 1.00 0.00 O ATOM 0 H SER A 49 2.415 1.444 -2.958 1.00 0.00 H new ATOM 0 HA SER A 49 4.755 2.977 -3.274 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.570 0.837 -5.198 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.220 2.321 -6.061 1.00 0.00 H new ATOM 0 HG SER A 49 6.187 3.170 -4.829 1.00 0.00 H new ATOM 360 N ALA A 50 3.470 4.731 -4.523 1.00 0.00 N ATOM 361 CA ALA A 50 2.563 5.839 -4.929 1.00 0.00 C ATOM 362 C ALA A 50 3.344 6.883 -5.741 1.00 0.00 C ATOM 363 O ALA A 50 4.558 6.872 -5.772 1.00 0.00 O ATOM 364 CB ALA A 50 1.985 6.482 -3.673 1.00 0.00 C ATOM 0 H ALA A 50 4.451 4.991 -4.423 1.00 0.00 H new ATOM 0 HA ALA A 50 1.756 5.449 -5.549 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.318 7.296 -3.955 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.428 5.736 -3.106 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.796 6.874 -3.059 1.00 0.00 H new ATOM 365 N VAL A 51 2.660 7.783 -6.403 1.00 0.00 N ATOM 366 CA VAL A 51 3.367 8.822 -7.209 1.00 0.00 C ATOM 367 C VAL A 51 2.669 10.170 -7.003 1.00 0.00 C ATOM 368 O VAL A 51 1.963 10.654 -7.864 1.00 0.00 O ATOM 369 CB VAL A 51 3.311 8.434 -8.687 1.00 0.00 C ATOM 370 CG1 VAL A 51 1.856 8.204 -9.098 1.00 0.00 C ATOM 371 CG2 VAL A 51 3.908 9.557 -9.537 1.00 0.00 C ATOM 0 H VAL A 51 1.642 7.842 -6.419 1.00 0.00 H new ATOM 0 HA VAL A 51 4.408 8.897 -6.894 1.00 0.00 H new ATOM 0 HB VAL A 51 3.884 7.520 -8.842 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.815 7.927 -10.152 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.430 7.402 -8.495 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.284 9.119 -8.941 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.867 9.278 -10.590 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.338 10.473 -9.382 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.945 9.722 -9.246 1.00 0.00 H new ATOM 372 N SER A 52 2.845 10.766 -5.857 1.00 0.00 N ATOM 373 CA SER A 52 2.172 12.067 -5.575 1.00 0.00 C ATOM 374 C SER A 52 2.804 13.203 -6.390 1.00 0.00 C ATOM 375 O SER A 52 4.002 13.253 -6.594 1.00 0.00 O ATOM 376 CB SER A 52 2.290 12.378 -4.082 1.00 0.00 C ATOM 377 OG SER A 52 1.105 11.958 -3.423 1.00 0.00 O ATOM 0 H SER A 52 3.428 10.408 -5.100 1.00 0.00 H new ATOM 0 HA SER A 52 1.123 11.987 -5.860 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.156 11.868 -3.659 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.445 13.446 -3.932 1.00 0.00 H new ATOM 0 HG SER A 52 1.176 12.154 -2.465 1.00 0.00 H new ATOM 378 N GLY A 53 1.990 14.115 -6.852 1.00 0.00 N ATOM 379 CA GLY A 53 2.498 15.266 -7.655 1.00 0.00 C ATOM 380 C GLY A 53 2.984 14.761 -9.009 1.00 0.00 C ATOM 381 O GLY A 53 2.771 13.617 -9.361 1.00 0.00 O ATOM 0 H GLY A 53 0.981 14.111 -6.705 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.709 16.005 -7.792 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.311 15.762 -7.126 1.00 0.00 H new ATOM 382 N SER A 54 3.657 15.591 -9.766 1.00 0.00 N ATOM 383 CA SER A 54 4.175 15.127 -11.083 1.00 0.00 C ATOM 384 C SER A 54 4.825 13.763 -10.865 1.00 0.00 C ATOM 385 O SER A 54 4.901 12.939 -11.754 1.00 0.00 O ATOM 386 CB SER A 54 5.210 16.125 -11.612 1.00 0.00 C ATOM 387 OG SER A 54 6.393 15.432 -11.987 1.00 0.00 O ATOM 0 H SER A 54 3.867 16.561 -9.529 1.00 0.00 H new ATOM 0 HA SER A 54 3.369 15.053 -11.813 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.805 16.664 -12.469 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.438 16.867 -10.847 1.00 0.00 H new ATOM 0 HG SER A 54 7.053 16.072 -12.327 1.00 0.00 H new ATOM 388 N GLY A 55 5.274 13.527 -9.663 1.00 0.00 N ATOM 389 CA GLY A 55 5.903 12.227 -9.328 1.00 0.00 C ATOM 390 C GLY A 55 6.989 12.453 -8.276 1.00 0.00 C ATOM 391 O GLY A 55 7.466 11.523 -7.656 1.00 0.00 O ATOM 0 H GLY A 55 5.229 14.192 -8.891 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.153 11.532 -8.951 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.334 11.776 -10.222 1.00 0.00 H new ATOM 392 N GLY A 56 7.376 13.687 -8.062 1.00 0.00 N ATOM 393 CA GLY A 56 8.420 13.974 -7.039 1.00 0.00 C ATOM 394 C GLY A 56 8.125 13.142 -5.795 1.00 0.00 C ATOM 395 O GLY A 56 9.001 12.527 -5.222 1.00 0.00 O ATOM 0 H GLY A 56 7.013 14.504 -8.552 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.409 13.733 -7.430 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.425 15.036 -6.792 1.00 0.00 H new ATOM 396 N SER A 57 6.886 13.097 -5.390 1.00 0.00 N ATOM 397 CA SER A 57 6.523 12.281 -4.204 1.00 0.00 C ATOM 398 C SER A 57 6.320 10.843 -4.674 1.00 0.00 C ATOM 399 O SER A 57 5.659 10.596 -5.664 1.00 0.00 O ATOM 400 CB SER A 57 5.232 12.815 -3.588 1.00 0.00 C ATOM 401 OG SER A 57 5.512 14.007 -2.866 1.00 0.00 O ATOM 0 H SER A 57 6.111 13.591 -5.831 1.00 0.00 H new ATOM 0 HA SER A 57 7.309 12.327 -3.451 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.498 13.014 -4.369 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.797 12.068 -2.924 1.00 0.00 H new ATOM 0 HG SER A 57 4.684 14.352 -2.471 1.00 0.00 H new ATOM 402 N THR A 58 6.882 9.889 -3.988 1.00 0.00 N ATOM 403 CA THR A 58 6.721 8.478 -4.421 1.00 0.00 C ATOM 404 C THR A 58 6.749 7.587 -3.192 1.00 0.00 C ATOM 405 O THR A 58 7.439 7.864 -2.231 1.00 0.00 O ATOM 406 CB THR A 58 7.867 8.090 -5.361 1.00 0.00 C ATOM 407 OG1 THR A 58 9.077 8.682 -4.903 1.00 0.00 O ATOM 408 CG2 THR A 58 7.560 8.575 -6.781 1.00 0.00 C ATOM 0 H THR A 58 7.444 10.026 -3.148 1.00 0.00 H new ATOM 0 HA THR A 58 5.775 8.359 -4.948 1.00 0.00 H new ATOM 0 HB THR A 58 7.975 7.005 -5.370 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.811 8.433 -5.503 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.378 8.297 -7.445 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.636 8.115 -7.131 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.447 9.659 -6.779 1.00 0.00 H new ATOM 409 N TYR A 59 6.006 6.524 -3.203 1.00 0.00 N ATOM 410 CA TYR A 59 6.004 5.639 -2.019 1.00 0.00 C ATOM 411 C TYR A 59 6.485 4.247 -2.388 1.00 0.00 C ATOM 412 O TYR A 59 6.511 3.870 -3.544 1.00 0.00 O ATOM 413 CB TYR A 59 4.620 5.578 -1.417 1.00 0.00 C ATOM 414 CG TYR A 59 4.763 5.890 0.036 1.00 0.00 C ATOM 415 CD1 TYR A 59 5.141 7.175 0.437 1.00 0.00 C ATOM 416 CD2 TYR A 59 4.542 4.892 0.977 1.00 0.00 C ATOM 417 CE1 TYR A 59 5.296 7.458 1.800 1.00 0.00 C ATOM 418 CE2 TYR A 59 4.692 5.165 2.336 1.00 0.00 C ATOM 419 CZ TYR A 59 5.069 6.451 2.752 1.00 0.00 C ATOM 420 OH TYR A 59 5.220 6.725 4.096 1.00 0.00 O ATOM 0 H TYR A 59 5.405 6.232 -3.974 1.00 0.00 H new ATOM 0 HA TYR A 59 6.690 6.050 -1.279 1.00 0.00 H new ATOM 0 HB2 TYR A 59 3.956 6.294 -1.902 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.181 4.590 -1.558 1.00 0.00 H new ATOM 0 HD1 TYR A 59 5.313 7.945 -0.300 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.253 3.902 0.655 1.00 0.00 H new ATOM 0 HE1 TYR A 59 5.589 8.448 2.118 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.518 4.389 3.067 1.00 0.00 H new ATOM 0 HH TYR A 59 5.024 5.919 4.618 1.00 0.00 H new ATOM 421 N TYR A 60 6.938 3.519 -1.397 1.00 0.00 N ATOM 422 CA TYR A 60 7.512 2.161 -1.621 1.00 0.00 C ATOM 423 C TYR A 60 7.225 1.263 -0.418 1.00 0.00 C ATOM 424 O TYR A 60 8.124 0.918 0.323 1.00 0.00 O ATOM 425 CB TYR A 60 9.032 2.293 -1.743 1.00 0.00 C ATOM 426 CG TYR A 60 9.380 3.098 -2.961 1.00 0.00 C ATOM 427 CD1 TYR A 60 9.086 4.461 -2.997 1.00 0.00 C ATOM 428 CD2 TYR A 60 9.992 2.479 -4.049 1.00 0.00 C ATOM 429 CE1 TYR A 60 9.405 5.216 -4.129 1.00 0.00 C ATOM 430 CE2 TYR A 60 10.316 3.227 -5.184 1.00 0.00 C ATOM 431 CZ TYR A 60 10.023 4.598 -5.227 1.00 0.00 C ATOM 432 OH TYR A 60 10.339 5.337 -6.348 1.00 0.00 O ATOM 0 H TYR A 60 6.933 3.818 -0.422 1.00 0.00 H new ATOM 0 HA TYR A 60 7.071 1.732 -2.521 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.437 2.773 -0.852 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.487 1.305 -1.808 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.612 4.933 -2.150 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.216 1.423 -4.015 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.177 6.271 -4.159 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.792 2.750 -6.028 1.00 0.00 H new ATOM 0 HH TYR A 60 10.762 4.756 -7.014 1.00 0.00 H new ATOM 433 N ALA A 61 6.007 0.872 -0.208 1.00 0.00 N ATOM 434 CA ALA A 61 5.723 -0.010 0.958 1.00 0.00 C ATOM 435 C ALA A 61 6.178 0.676 2.250 1.00 0.00 C ATOM 436 O ALA A 61 6.441 1.862 2.276 1.00 0.00 O ATOM 437 CB ALA A 61 6.483 -1.324 0.799 1.00 0.00 C ATOM 0 H ALA A 61 5.201 1.118 -0.783 1.00 0.00 H new ATOM 0 HA ALA A 61 4.652 -0.205 1.006 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.275 -1.970 1.652 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.164 -1.820 -0.118 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.553 -1.122 0.749 1.00 0.00 H new ATOM 438 N ASP A 62 6.275 -0.067 3.320 1.00 0.00 N ATOM 439 CA ASP A 62 6.715 0.530 4.615 1.00 0.00 C ATOM 440 C ASP A 62 8.104 -0.002 4.974 1.00 0.00 C ATOM 441 O ASP A 62 8.795 0.547 5.809 1.00 0.00 O ATOM 442 CB ASP A 62 5.727 0.147 5.720 1.00 0.00 C ATOM 443 CG ASP A 62 4.331 -0.043 5.122 1.00 0.00 C ATOM 444 OD1 ASP A 62 4.172 -0.947 4.317 1.00 0.00 O ATOM 445 OD2 ASP A 62 3.447 0.720 5.476 1.00 0.00 O ATOM 0 H ASP A 62 6.068 -1.065 3.353 1.00 0.00 H new ATOM 0 HA ASP A 62 6.750 1.615 4.519 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.052 -0.772 6.209 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.703 0.924 6.485 1.00 0.00 H new ATOM 446 N SER A 63 8.518 -1.067 4.346 1.00 0.00 N ATOM 447 CA SER A 63 9.862 -1.639 4.642 1.00 0.00 C ATOM 448 C SER A 63 10.577 -1.939 3.329 1.00 0.00 C ATOM 449 O SER A 63 11.632 -2.541 3.310 1.00 0.00 O ATOM 450 CB SER A 63 9.707 -2.941 5.420 1.00 0.00 C ATOM 451 OG SER A 63 10.567 -2.919 6.552 1.00 0.00 O ATOM 0 H SER A 63 7.982 -1.568 3.638 1.00 0.00 H new ATOM 0 HA SER A 63 10.435 -0.924 5.231 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.672 -3.067 5.738 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.950 -3.790 4.781 1.00 0.00 H new ATOM 0 HG SER A 63 10.468 -3.754 7.055 1.00 0.00 H new ATOM 452 N VAL A 64 10.010 -1.535 2.230 1.00 0.00 N ATOM 453 CA VAL A 64 10.660 -1.812 0.927 1.00 0.00 C ATOM 454 C VAL A 64 11.188 -0.510 0.335 1.00 0.00 C ATOM 455 O VAL A 64 11.382 -0.396 -0.857 1.00 0.00 O ATOM 456 CB VAL A 64 9.658 -2.449 -0.035 1.00 0.00 C ATOM 457 CG1 VAL A 64 10.418 -3.366 -0.992 1.00 0.00 C ATOM 458 CG2 VAL A 64 8.634 -3.281 0.746 1.00 0.00 C ATOM 0 H VAL A 64 9.127 -1.027 2.179 1.00 0.00 H new ATOM 0 HA VAL A 64 11.489 -2.503 1.081 1.00 0.00 H new ATOM 0 HB VAL A 64 9.136 -1.667 -0.587 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.717 -3.829 -1.686 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.150 -2.783 -1.551 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.931 -4.141 -0.423 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.925 -3.731 0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.149 -4.067 1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.099 -2.638 1.445 1.00 0.00 H new ATOM 459 N LYS A 65 11.427 0.472 1.159 1.00 0.00 N ATOM 460 CA LYS A 65 11.956 1.763 0.639 1.00 0.00 C ATOM 461 C LYS A 65 13.168 1.474 -0.249 1.00 0.00 C ATOM 462 O LYS A 65 13.881 0.512 -0.041 1.00 0.00 O ATOM 463 CB LYS A 65 12.382 2.652 1.809 1.00 0.00 C ATOM 464 CG LYS A 65 13.635 2.066 2.462 1.00 0.00 C ATOM 465 CD LYS A 65 13.559 2.261 3.978 1.00 0.00 C ATOM 466 CE LYS A 65 12.576 1.252 4.574 1.00 0.00 C ATOM 467 NZ LYS A 65 12.326 1.591 6.005 1.00 0.00 N ATOM 0 H LYS A 65 11.279 0.436 2.168 1.00 0.00 H new ATOM 0 HA LYS A 65 11.185 2.275 0.064 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.581 3.664 1.457 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.576 2.721 2.540 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.720 1.005 2.225 1.00 0.00 H new ATOM 0 HG3 LYS A 65 14.526 2.553 2.066 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.546 2.129 4.422 1.00 0.00 H new ATOM 0 HD3 LYS A 65 13.239 3.277 4.209 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.640 1.267 4.016 1.00 0.00 H new ATOM 0 HE3 LYS A 65 12.980 0.243 4.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.658 0.906 6.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.222 1.556 6.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.924 2.548 6.070 1.00 0.00 H new ATOM 468 N GLY A 66 13.407 2.289 -1.238 1.00 0.00 N ATOM 469 CA GLY A 66 14.572 2.038 -2.132 1.00 0.00 C ATOM 470 C GLY A 66 14.595 0.556 -2.506 1.00 0.00 C ATOM 471 O GLY A 66 15.633 -0.014 -2.779 1.00 0.00 O ATOM 0 H GLY A 66 12.850 3.113 -1.465 1.00 0.00 H new ATOM 0 HA2 GLY A 66 14.499 2.653 -3.029 1.00 0.00 H new ATOM 0 HA3 GLY A 66 15.499 2.315 -1.631 1.00 0.00 H new ATOM 472 N ARG A 67 13.450 -0.070 -2.512 1.00 0.00 N ATOM 473 CA ARG A 67 13.380 -1.521 -2.856 1.00 0.00 C ATOM 474 C ARG A 67 12.033 -1.835 -3.518 1.00 0.00 C ATOM 475 O ARG A 67 11.671 -2.983 -3.688 1.00 0.00 O ATOM 476 CB ARG A 67 13.506 -2.351 -1.575 1.00 0.00 C ATOM 477 CG ARG A 67 14.970 -2.428 -1.142 1.00 0.00 C ATOM 478 CD ARG A 67 15.050 -3.013 0.271 1.00 0.00 C ATOM 479 NE ARG A 67 15.883 -2.128 1.133 1.00 0.00 N ATOM 480 CZ ARG A 67 15.834 -2.249 2.433 1.00 0.00 C ATOM 481 NH1 ARG A 67 15.903 -3.431 2.985 1.00 0.00 N ATOM 482 NH2 ARG A 67 15.716 -1.187 3.182 1.00 0.00 N ATOM 0 H ARG A 67 12.553 0.363 -2.292 1.00 0.00 H new ATOM 0 HA ARG A 67 14.190 -1.765 -3.543 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.907 -1.904 -0.782 1.00 0.00 H new ATOM 0 HB3 ARG A 67 13.115 -3.354 -1.742 1.00 0.00 H new ATOM 0 HG2 ARG A 67 15.535 -3.049 -1.838 1.00 0.00 H new ATOM 0 HG3 ARG A 67 15.420 -1.435 -1.163 1.00 0.00 H new ATOM 0 HD2 ARG A 67 14.049 -3.110 0.692 1.00 0.00 H new ATOM 0 HD3 ARG A 67 15.480 -4.014 0.237 1.00 0.00 H new ATOM 0 HE ARG A 67 16.491 -1.428 0.708 1.00 0.00 H new ATOM 0 HH11 ARG A 67 15.995 -4.262 2.401 1.00 0.00 H new ATOM 0 HH12 ARG A 67 15.865 -3.523 4.000 1.00 0.00 H new ATOM 0 HH21 ARG A 67 15.662 -0.263 2.752 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.678 -1.280 4.197 1.00 0.00 H new ATOM 483 N PHE A 68 11.286 -0.830 -3.890 1.00 0.00 N ATOM 484 CA PHE A 68 9.965 -1.073 -4.532 1.00 0.00 C ATOM 485 C PHE A 68 9.854 -0.144 -5.741 1.00 0.00 C ATOM 486 O PHE A 68 10.721 0.673 -5.967 1.00 0.00 O ATOM 487 CB PHE A 68 8.857 -0.733 -3.529 1.00 0.00 C ATOM 488 CG PHE A 68 8.183 -1.976 -2.978 1.00 0.00 C ATOM 489 CD1 PHE A 68 8.710 -3.262 -3.195 1.00 0.00 C ATOM 490 CD2 PHE A 68 7.004 -1.828 -2.235 1.00 0.00 C ATOM 491 CE1 PHE A 68 8.053 -4.383 -2.671 1.00 0.00 C ATOM 492 CE2 PHE A 68 6.354 -2.948 -1.714 1.00 0.00 C ATOM 493 CZ PHE A 68 6.874 -4.221 -1.930 1.00 0.00 C ATOM 0 H PHE A 68 11.536 0.152 -3.776 1.00 0.00 H new ATOM 0 HA PHE A 68 9.869 -2.114 -4.841 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.278 -0.155 -2.706 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.112 -0.102 -4.013 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.619 -3.385 -3.764 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.596 -0.843 -2.065 1.00 0.00 H new ATOM 0 HE1 PHE A 68 8.455 -5.372 -2.838 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.446 -2.827 -1.142 1.00 0.00 H new ATOM 0 HZ PHE A 68 6.368 -5.086 -1.526 1.00 0.00 H new ATOM 494 N THR A 69 8.815 -0.244 -6.527 1.00 0.00 N ATOM 495 CA THR A 69 8.724 0.674 -7.701 1.00 0.00 C ATOM 496 C THR A 69 7.266 0.915 -8.112 1.00 0.00 C ATOM 497 O THR A 69 6.488 -0.005 -8.267 1.00 0.00 O ATOM 498 CB THR A 69 9.488 0.067 -8.875 1.00 0.00 C ATOM 499 OG1 THR A 69 9.685 1.058 -9.874 1.00 0.00 O ATOM 500 CG2 THR A 69 8.686 -1.094 -9.454 1.00 0.00 C ATOM 0 H THR A 69 8.044 -0.902 -6.413 1.00 0.00 H new ATOM 0 HA THR A 69 9.160 1.633 -7.420 1.00 0.00 H new ATOM 0 HB THR A 69 10.457 -0.297 -8.533 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.177 0.670 -10.627 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.230 -1.529 -10.293 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.537 -1.852 -8.685 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.718 -0.731 -9.798 1.00 0.00 H new ATOM 501 N ILE A 70 6.909 2.158 -8.317 1.00 0.00 N ATOM 502 CA ILE A 70 5.522 2.497 -8.751 1.00 0.00 C ATOM 503 C ILE A 70 5.459 2.414 -10.278 1.00 0.00 C ATOM 504 O ILE A 70 5.500 3.417 -10.963 1.00 0.00 O ATOM 505 CB ILE A 70 5.185 3.914 -8.306 1.00 0.00 C ATOM 506 CG1 ILE A 70 3.802 4.297 -8.834 1.00 0.00 C ATOM 507 CG2 ILE A 70 6.232 4.863 -8.870 1.00 0.00 C ATOM 508 CD1 ILE A 70 2.756 3.332 -8.271 1.00 0.00 C ATOM 0 H ILE A 70 7.528 2.960 -8.200 1.00 0.00 H new ATOM 0 HA ILE A 70 4.808 1.803 -8.307 1.00 0.00 H new ATOM 0 HB ILE A 70 5.180 3.975 -7.218 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.561 5.320 -8.545 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.795 4.263 -9.923 1.00 0.00 H new ATOM 0 HG21 ILE A 70 6.004 5.883 -8.560 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.217 4.582 -8.497 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.227 4.805 -9.958 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.770 3.605 -8.647 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.995 2.315 -8.582 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.758 3.388 -7.182 1.00 0.00 H new ATOM 509 N SER A 71 5.365 1.229 -10.822 1.00 0.00 N ATOM 510 CA SER A 71 5.308 1.103 -12.307 1.00 0.00 C ATOM 511 C SER A 71 4.042 1.792 -12.803 1.00 0.00 C ATOM 512 O SER A 71 3.077 1.903 -12.075 1.00 0.00 O ATOM 513 CB SER A 71 5.269 -0.374 -12.696 1.00 0.00 C ATOM 514 OG SER A 71 6.567 -0.787 -13.106 1.00 0.00 O ATOM 0 H SER A 71 5.326 0.350 -10.306 1.00 0.00 H new ATOM 0 HA SER A 71 6.188 1.566 -12.754 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.933 -0.976 -11.851 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.553 -0.531 -13.503 1.00 0.00 H new ATOM 0 HG SER A 71 6.515 -1.681 -13.503 1.00 0.00 H new ATOM 515 N ARG A 72 4.016 2.267 -14.020 1.00 0.00 N ATOM 516 CA ARG A 72 2.774 2.939 -14.478 1.00 0.00 C ATOM 517 C ARG A 72 2.589 2.845 -15.999 1.00 0.00 C ATOM 518 O ARG A 72 3.534 2.757 -16.757 1.00 0.00 O ATOM 519 CB ARG A 72 2.798 4.404 -14.036 1.00 0.00 C ATOM 520 CG ARG A 72 1.740 5.197 -14.806 1.00 0.00 C ATOM 521 CD ARG A 72 1.312 6.404 -13.976 1.00 0.00 C ATOM 522 NE ARG A 72 2.476 7.316 -13.801 1.00 0.00 N ATOM 523 CZ ARG A 72 3.204 7.248 -12.720 1.00 0.00 C ATOM 524 NH1 ARG A 72 2.638 7.054 -11.561 1.00 0.00 N ATOM 525 NH2 ARG A 72 4.501 7.377 -12.800 1.00 0.00 N ATOM 0 H ARG A 72 4.778 2.220 -14.696 1.00 0.00 H new ATOM 0 HA ARG A 72 1.927 2.426 -14.023 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.609 4.473 -12.965 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.785 4.830 -14.213 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.141 5.524 -15.765 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.879 4.564 -15.020 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.495 6.929 -14.470 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.940 6.079 -13.004 1.00 0.00 H new ATOM 0 HE ARG A 72 2.705 7.995 -14.527 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.625 6.955 -11.498 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.209 7.001 -10.717 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.943 7.531 -13.706 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.072 7.324 -11.956 1.00 0.00 H new ATOM 526 N ASP A 73 1.349 2.883 -16.434 1.00 0.00 N ATOM 527 CA ASP A 73 1.039 2.819 -17.887 1.00 0.00 C ATOM 528 C ASP A 73 0.058 3.955 -18.227 1.00 0.00 C ATOM 529 O ASP A 73 -1.147 3.849 -18.019 1.00 0.00 O ATOM 530 CB ASP A 73 0.420 1.461 -18.219 1.00 0.00 C ATOM 531 CG ASP A 73 1.275 0.349 -17.610 1.00 0.00 C ATOM 532 OD1 ASP A 73 1.610 0.460 -16.443 1.00 0.00 O ATOM 533 OD2 ASP A 73 1.580 -0.594 -18.322 1.00 0.00 O ATOM 0 H ASP A 73 0.532 2.957 -15.828 1.00 0.00 H new ATOM 0 HA ASP A 73 1.949 2.936 -18.475 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.597 1.408 -17.829 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.354 1.334 -19.300 1.00 0.00 H new ATOM 534 N ASN A 74 0.596 5.049 -18.713 1.00 0.00 N ATOM 535 CA ASN A 74 -0.216 6.256 -19.059 1.00 0.00 C ATOM 536 C ASN A 74 -1.346 5.930 -20.047 1.00 0.00 C ATOM 537 O ASN A 74 -2.509 5.946 -19.701 1.00 0.00 O ATOM 538 CB ASN A 74 0.706 7.288 -19.703 1.00 0.00 C ATOM 539 CG ASN A 74 0.213 8.697 -19.371 1.00 0.00 C ATOM 540 OD1 ASN A 74 -0.804 9.132 -19.875 1.00 0.00 O ATOM 541 ND2 ASN A 74 0.895 9.435 -18.537 1.00 0.00 N ATOM 0 H ASN A 74 1.595 5.156 -18.889 1.00 0.00 H new ATOM 0 HA ASN A 74 -0.668 6.634 -18.142 1.00 0.00 H new ATOM 0 HB2 ASN A 74 1.726 7.154 -19.342 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.729 7.145 -20.783 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.574 10.376 -18.309 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.748 9.070 -18.114 1.00 0.00 H new ATOM 542 N SER A 75 -1.019 5.668 -21.288 1.00 0.00 N ATOM 543 CA SER A 75 -2.087 5.382 -22.297 1.00 0.00 C ATOM 544 C SER A 75 -2.542 3.926 -22.200 1.00 0.00 C ATOM 545 O SER A 75 -2.831 3.290 -23.194 1.00 0.00 O ATOM 546 CB SER A 75 -1.545 5.649 -23.702 1.00 0.00 C ATOM 547 OG SER A 75 -0.139 5.442 -23.712 1.00 0.00 O ATOM 0 H SER A 75 -0.064 5.640 -21.646 1.00 0.00 H new ATOM 0 HA SER A 75 -2.939 6.031 -22.097 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.026 4.987 -24.422 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.776 6.670 -24.005 1.00 0.00 H new ATOM 0 HG SER A 75 0.210 5.611 -24.612 1.00 0.00 H new ATOM 548 N LYS A 76 -2.608 3.390 -21.016 1.00 0.00 N ATOM 549 CA LYS A 76 -3.045 1.980 -20.864 1.00 0.00 C ATOM 550 C LYS A 76 -4.220 1.913 -19.889 1.00 0.00 C ATOM 551 O LYS A 76 -4.892 0.908 -19.790 1.00 0.00 O ATOM 552 CB LYS A 76 -1.884 1.155 -20.324 1.00 0.00 C ATOM 553 CG LYS A 76 -0.717 1.216 -21.317 1.00 0.00 C ATOM 554 CD LYS A 76 -0.059 2.604 -21.274 1.00 0.00 C ATOM 555 CE LYS A 76 1.461 2.445 -21.267 1.00 0.00 C ATOM 556 NZ LYS A 76 1.951 2.324 -22.670 1.00 0.00 N ATOM 0 H LYS A 76 -2.377 3.870 -20.146 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.358 1.584 -21.830 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.571 1.538 -19.353 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.196 0.121 -20.174 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.018 0.449 -21.074 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.075 1.006 -22.325 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.370 3.193 -22.137 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.383 3.145 -20.385 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.925 3.303 -20.780 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.743 1.562 -20.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.985 2.216 -22.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.516 1.493 -23.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.693 3.179 -23.203 1.00 0.00 H new ATOM 557 N ASN A 77 -4.471 2.983 -19.178 1.00 0.00 N ATOM 558 CA ASN A 77 -5.594 3.009 -18.218 1.00 0.00 C ATOM 559 C ASN A 77 -5.153 2.427 -16.875 1.00 0.00 C ATOM 560 O ASN A 77 -5.975 2.017 -16.089 1.00 0.00 O ATOM 561 CB ASN A 77 -6.805 2.245 -18.798 1.00 0.00 C ATOM 562 CG ASN A 77 -6.966 0.863 -18.145 1.00 0.00 C ATOM 563 OD1 ASN A 77 -5.996 0.172 -17.905 1.00 0.00 O ATOM 564 ND2 ASN A 77 -8.161 0.436 -17.843 1.00 0.00 N ATOM 0 H ASN A 77 -3.932 3.848 -19.229 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.900 4.041 -18.049 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -7.712 2.829 -18.644 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -6.680 2.127 -19.874 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.281 -0.478 -17.406 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -8.976 1.016 -18.044 1.00 0.00 H new ATOM 565 N THR A 78 -3.879 2.410 -16.564 1.00 0.00 N ATOM 566 CA THR A 78 -3.504 1.876 -15.227 1.00 0.00 C ATOM 567 C THR A 78 -1.998 1.912 -15.014 1.00 0.00 C ATOM 568 O THR A 78 -1.225 2.008 -15.942 1.00 0.00 O ATOM 569 CB THR A 78 -3.986 0.435 -15.129 1.00 0.00 C ATOM 570 OG1 THR A 78 -3.530 -0.139 -13.913 1.00 0.00 O ATOM 571 CG2 THR A 78 -3.436 -0.355 -16.314 1.00 0.00 C ATOM 0 H THR A 78 -3.112 2.730 -17.155 1.00 0.00 H new ATOM 0 HA THR A 78 -3.968 2.498 -14.461 1.00 0.00 H new ATOM 0 HB THR A 78 -5.076 0.408 -15.146 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.908 -1.038 -13.813 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.776 -1.389 -16.252 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.792 0.089 -17.244 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.346 -0.330 -16.294 1.00 0.00 H new ATOM 572 N LEU A 79 -1.584 1.806 -13.781 1.00 0.00 N ATOM 573 CA LEU A 79 -0.138 1.797 -13.476 1.00 0.00 C ATOM 574 C LEU A 79 0.173 0.501 -12.740 1.00 0.00 C ATOM 575 O LEU A 79 -0.697 -0.101 -12.166 1.00 0.00 O ATOM 576 CB LEU A 79 0.234 3.009 -12.617 1.00 0.00 C ATOM 577 CG LEU A 79 -0.744 3.136 -11.457 1.00 0.00 C ATOM 578 CD1 LEU A 79 -0.057 3.851 -10.292 1.00 0.00 C ATOM 579 CD2 LEU A 79 -1.965 3.940 -11.914 1.00 0.00 C ATOM 0 H LEU A 79 -2.196 1.725 -12.969 1.00 0.00 H new ATOM 0 HA LEU A 79 0.445 1.856 -14.395 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.250 2.900 -12.238 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.215 3.915 -13.222 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.064 2.146 -11.132 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.755 3.944 -9.460 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.813 3.276 -9.974 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.261 4.844 -10.611 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.669 4.034 -11.087 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.648 4.932 -12.235 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.448 3.427 -12.745 1.00 0.00 H new ATOM 580 N TYR A 80 1.385 0.029 -12.797 1.00 0.00 N ATOM 581 CA TYR A 80 1.688 -1.274 -12.144 1.00 0.00 C ATOM 582 C TYR A 80 2.656 -1.096 -10.978 1.00 0.00 C ATOM 583 O TYR A 80 3.190 -0.029 -10.745 1.00 0.00 O ATOM 584 CB TYR A 80 2.308 -2.213 -13.179 1.00 0.00 C ATOM 585 CG TYR A 80 1.315 -2.509 -14.288 1.00 0.00 C ATOM 586 CD1 TYR A 80 0.671 -1.464 -14.976 1.00 0.00 C ATOM 587 CD2 TYR A 80 1.056 -3.836 -14.643 1.00 0.00 C ATOM 588 CE1 TYR A 80 -0.225 -1.753 -16.010 1.00 0.00 C ATOM 589 CE2 TYR A 80 0.155 -4.124 -15.676 1.00 0.00 C ATOM 590 CZ TYR A 80 -0.485 -3.083 -16.359 1.00 0.00 C ATOM 591 OH TYR A 80 -1.370 -3.368 -17.379 1.00 0.00 O ATOM 0 H TYR A 80 2.172 0.482 -13.262 1.00 0.00 H new ATOM 0 HA TYR A 80 0.760 -1.693 -11.754 1.00 0.00 H new ATOM 0 HB2 TYR A 80 3.206 -1.760 -13.598 1.00 0.00 H new ATOM 0 HB3 TYR A 80 2.614 -3.142 -12.699 1.00 0.00 H new ATOM 0 HD1 TYR A 80 0.869 -0.437 -14.705 1.00 0.00 H new ATOM 0 HD2 TYR A 80 1.551 -4.641 -14.120 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -0.716 -0.950 -16.539 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -0.046 -5.150 -15.946 1.00 0.00 H new ATOM 0 HH TYR A 80 -1.435 -4.339 -17.494 1.00 0.00 H new ATOM 592 N LEU A 81 2.876 -2.152 -10.239 1.00 0.00 N ATOM 593 CA LEU A 81 3.800 -2.078 -9.078 1.00 0.00 C ATOM 594 C LEU A 81 4.746 -3.266 -9.076 1.00 0.00 C ATOM 595 O LEU A 81 4.327 -4.401 -8.918 1.00 0.00 O ATOM 596 CB LEU A 81 3.014 -2.169 -7.769 1.00 0.00 C ATOM 597 CG LEU A 81 2.454 -0.819 -7.351 1.00 0.00 C ATOM 598 CD1 LEU A 81 2.197 -0.836 -5.837 1.00 0.00 C ATOM 599 CD2 LEU A 81 3.442 0.296 -7.641 1.00 0.00 C ATOM 0 H LEU A 81 2.451 -3.066 -10.394 1.00 0.00 H new ATOM 0 HA LEU A 81 4.342 -1.136 -9.158 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.197 -2.881 -7.885 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.663 -2.553 -6.982 1.00 0.00 H new ATOM 0 HG LEU A 81 1.536 -0.642 -7.911 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.795 0.128 -5.525 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.481 -1.622 -5.598 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.133 -1.026 -5.311 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.015 1.250 -7.332 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.365 0.116 -7.090 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.656 0.324 -8.709 1.00 0.00 H new ATOM 600 N GLN A 82 6.016 -3.014 -9.155 1.00 0.00 N ATOM 601 CA GLN A 82 6.984 -4.126 -9.050 1.00 0.00 C ATOM 602 C GLN A 82 7.411 -4.112 -7.586 1.00 0.00 C ATOM 603 O GLN A 82 8.129 -3.227 -7.147 1.00 0.00 O ATOM 604 CB GLN A 82 8.196 -3.905 -9.960 1.00 0.00 C ATOM 605 CG GLN A 82 7.783 -3.093 -11.191 1.00 0.00 C ATOM 606 CD GLN A 82 7.059 -4.007 -12.180 1.00 0.00 C ATOM 607 OE1 GLN A 82 5.877 -3.853 -12.416 1.00 0.00 O ATOM 608 NE2 GLN A 82 7.724 -4.960 -12.772 1.00 0.00 N ATOM 0 H GLN A 82 6.423 -2.088 -9.287 1.00 0.00 H new ATOM 0 HA GLN A 82 6.547 -5.076 -9.359 1.00 0.00 H new ATOM 0 HB2 GLN A 82 8.981 -3.381 -9.414 1.00 0.00 H new ATOM 0 HB3 GLN A 82 8.610 -4.865 -10.269 1.00 0.00 H new ATOM 0 HG2 GLN A 82 7.133 -2.269 -10.896 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.662 -2.652 -11.662 1.00 0.00 H new ATOM 0 HE21 GLN A 82 8.716 -5.089 -12.574 1.00 0.00 H new ATOM 0 HE22 GLN A 82 7.252 -5.576 -13.433 1.00 0.00 H new ATOM 609 N MET A 83 6.925 -5.033 -6.805 1.00 0.00 N ATOM 610 CA MET A 83 7.262 -5.007 -5.354 1.00 0.00 C ATOM 611 C MET A 83 7.762 -6.379 -4.897 1.00 0.00 C ATOM 612 O MET A 83 6.993 -7.268 -4.597 1.00 0.00 O ATOM 613 CB MET A 83 6.018 -4.601 -4.538 1.00 0.00 C ATOM 614 CG MET A 83 4.749 -4.636 -5.398 1.00 0.00 C ATOM 615 SD MET A 83 3.339 -5.059 -4.339 1.00 0.00 S ATOM 616 CE MET A 83 2.110 -3.976 -5.101 1.00 0.00 C ATOM 0 H MET A 83 6.316 -5.795 -7.102 1.00 0.00 H new ATOM 0 HA MET A 83 8.054 -4.277 -5.190 1.00 0.00 H new ATOM 0 HB2 MET A 83 5.902 -5.274 -3.689 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.158 -3.599 -4.133 1.00 0.00 H new ATOM 0 HG2 MET A 83 4.588 -3.668 -5.873 1.00 0.00 H new ATOM 0 HG3 MET A 83 4.855 -5.370 -6.197 1.00 0.00 H new ATOM 0 HE1 MET A 83 1.762 -3.249 -4.368 1.00 0.00 H new ATOM 0 HE2 MET A 83 2.559 -3.453 -5.946 1.00 0.00 H new ATOM 0 HE3 MET A 83 1.267 -4.572 -5.450 1.00 0.00 H new ATOM 617 N ASN A 84 9.050 -6.553 -4.829 1.00 0.00 N ATOM 618 CA ASN A 84 9.602 -7.864 -4.389 1.00 0.00 C ATOM 619 C ASN A 84 10.028 -7.779 -2.923 1.00 0.00 C ATOM 620 O ASN A 84 9.428 -7.076 -2.134 1.00 0.00 O ATOM 621 CB ASN A 84 10.815 -8.221 -5.252 1.00 0.00 C ATOM 622 CG ASN A 84 11.993 -7.319 -4.876 1.00 0.00 C ATOM 623 OD1 ASN A 84 11.837 -6.381 -4.118 1.00 0.00 O ATOM 624 ND2 ASN A 84 13.173 -7.563 -5.378 1.00 0.00 N ATOM 0 H ASN A 84 9.746 -5.844 -5.059 1.00 0.00 H new ATOM 0 HA ASN A 84 8.837 -8.632 -4.498 1.00 0.00 H new ATOM 0 HB2 ASN A 84 11.083 -9.267 -5.106 1.00 0.00 H new ATOM 0 HB3 ASN A 84 10.572 -8.099 -6.308 1.00 0.00 H new ATOM 0 HD21 ASN A 84 13.964 -6.967 -5.134 1.00 0.00 H new ATOM 0 HD22 ASN A 84 13.304 -8.350 -6.014 1.00 0.00 H new ATOM 625 N SER A 85 11.057 -8.500 -2.555 1.00 0.00 N ATOM 626 CA SER A 85 11.539 -8.482 -1.142 1.00 0.00 C ATOM 627 C SER A 85 10.723 -9.474 -0.307 1.00 0.00 C ATOM 628 O SER A 85 11.210 -10.025 0.659 1.00 0.00 O ATOM 629 CB SER A 85 11.404 -7.075 -0.554 1.00 0.00 C ATOM 630 OG SER A 85 11.615 -6.113 -1.582 1.00 0.00 O ATOM 0 H SER A 85 11.588 -9.106 -3.180 1.00 0.00 H new ATOM 0 HA SER A 85 12.590 -8.771 -1.123 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.414 -6.945 -0.116 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.129 -6.932 0.248 1.00 0.00 H new ATOM 0 HG SER A 85 12.010 -6.552 -2.364 1.00 0.00 H new ATOM 631 N LEU A 86 9.490 -9.717 -0.669 1.00 0.00 N ATOM 632 CA LEU A 86 8.675 -10.685 0.113 1.00 0.00 C ATOM 633 C LEU A 86 9.497 -11.962 0.315 1.00 0.00 C ATOM 634 O LEU A 86 10.584 -12.088 -0.214 1.00 0.00 O ATOM 635 CB LEU A 86 7.391 -11.009 -0.650 1.00 0.00 C ATOM 636 CG LEU A 86 6.473 -9.788 -0.633 1.00 0.00 C ATOM 637 CD1 LEU A 86 6.750 -8.927 -1.867 1.00 0.00 C ATOM 638 CD2 LEU A 86 5.013 -10.249 -0.649 1.00 0.00 C ATOM 0 H LEU A 86 9.018 -9.290 -1.466 1.00 0.00 H new ATOM 0 HA LEU A 86 8.410 -10.257 1.080 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.625 -11.288 -1.677 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.889 -11.862 -0.194 1.00 0.00 H new ATOM 0 HG LEU A 86 6.660 -9.203 0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.096 -8.055 -1.857 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.790 -8.601 -1.857 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.562 -9.511 -2.768 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.357 -9.379 -0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.826 -10.832 -1.550 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.816 -10.864 0.229 1.00 0.00 H new ATOM 639 N ARG A 87 9.011 -12.907 1.075 1.00 0.00 N ATOM 640 CA ARG A 87 9.816 -14.146 1.286 1.00 0.00 C ATOM 641 C ARG A 87 8.918 -15.367 1.481 1.00 0.00 C ATOM 642 O ARG A 87 9.053 -16.092 2.446 1.00 0.00 O ATOM 643 CB ARG A 87 10.697 -13.966 2.518 1.00 0.00 C ATOM 644 CG ARG A 87 9.839 -14.052 3.781 1.00 0.00 C ATOM 645 CD ARG A 87 9.937 -12.736 4.556 1.00 0.00 C ATOM 646 NE ARG A 87 11.190 -12.725 5.362 1.00 0.00 N ATOM 647 CZ ARG A 87 11.595 -11.619 5.925 1.00 0.00 C ATOM 648 NH1 ARG A 87 10.981 -10.493 5.680 1.00 0.00 N ATOM 649 NH2 ARG A 87 12.618 -11.640 6.735 1.00 0.00 N ATOM 0 H ARG A 87 8.109 -12.878 1.551 1.00 0.00 H new ATOM 0 HA ARG A 87 10.429 -14.312 0.400 1.00 0.00 H new ATOM 0 HB2 ARG A 87 11.471 -14.733 2.539 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.205 -13.002 2.476 1.00 0.00 H new ATOM 0 HG2 ARG A 87 8.801 -14.253 3.515 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.175 -14.880 4.406 1.00 0.00 H new ATOM 0 HD2 ARG A 87 9.930 -11.893 3.865 1.00 0.00 H new ATOM 0 HD3 ARG A 87 9.071 -12.621 5.208 1.00 0.00 H new ATOM 0 HE ARG A 87 11.732 -13.582 5.474 1.00 0.00 H new ATOM 0 HH11 ARG A 87 10.182 -10.475 5.047 1.00 0.00 H new ATOM 0 HH12 ARG A 87 11.301 -9.631 6.122 1.00 0.00 H new ATOM 0 HH21 ARG A 87 13.099 -12.519 6.927 1.00 0.00 H new ATOM 0 HH22 ARG A 87 12.937 -10.777 7.176 1.00 0.00 H new ATOM 650 N ALA A 88 8.019 -15.613 0.569 1.00 0.00 N ATOM 651 CA ALA A 88 7.127 -16.802 0.705 1.00 0.00 C ATOM 652 C ALA A 88 6.692 -16.945 2.151 1.00 0.00 C ATOM 653 O ALA A 88 6.775 -18.011 2.730 1.00 0.00 O ATOM 654 CB ALA A 88 7.887 -18.060 0.303 1.00 0.00 C ATOM 0 H ALA A 88 7.862 -15.045 -0.263 1.00 0.00 H new ATOM 0 HA ALA A 88 6.257 -16.670 0.062 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.234 -18.927 0.403 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.216 -17.971 -0.732 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.755 -18.183 0.950 1.00 0.00 H new ATOM 655 N GLU A 89 6.259 -15.885 2.756 1.00 0.00 N ATOM 656 CA GLU A 89 5.862 -15.991 4.175 1.00 0.00 C ATOM 657 C GLU A 89 5.134 -14.713 4.617 1.00 0.00 C ATOM 658 O GLU A 89 5.063 -14.404 5.788 1.00 0.00 O ATOM 659 CB GLU A 89 7.149 -16.242 4.987 1.00 0.00 C ATOM 660 CG GLU A 89 7.666 -14.954 5.648 1.00 0.00 C ATOM 661 CD GLU A 89 7.188 -14.892 7.101 1.00 0.00 C ATOM 662 OE1 GLU A 89 6.715 -15.902 7.593 1.00 0.00 O ATOM 663 OE2 GLU A 89 7.302 -13.832 7.696 1.00 0.00 O ATOM 0 H GLU A 89 6.164 -14.961 2.336 1.00 0.00 H new ATOM 0 HA GLU A 89 5.164 -16.813 4.337 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.955 -16.992 5.754 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.919 -16.649 4.332 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.755 -14.927 5.612 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.307 -14.083 5.100 1.00 0.00 H new ATOM 664 N ASP A 90 4.579 -13.971 3.692 1.00 0.00 N ATOM 665 CA ASP A 90 3.856 -12.730 4.092 1.00 0.00 C ATOM 666 C ASP A 90 3.112 -12.119 2.900 1.00 0.00 C ATOM 667 O ASP A 90 3.224 -10.937 2.640 1.00 0.00 O ATOM 668 CB ASP A 90 4.856 -11.708 4.638 1.00 0.00 C ATOM 669 CG ASP A 90 6.162 -11.795 3.848 1.00 0.00 C ATOM 670 OD1 ASP A 90 6.114 -12.226 2.708 1.00 0.00 O ATOM 671 OD2 ASP A 90 7.189 -11.427 4.396 1.00 0.00 O ATOM 0 H ASP A 90 4.595 -14.168 2.691 1.00 0.00 H new ATOM 0 HA ASP A 90 3.128 -12.991 4.861 1.00 0.00 H new ATOM 0 HB2 ASP A 90 4.441 -10.703 4.564 1.00 0.00 H new ATOM 0 HB3 ASP A 90 5.045 -11.898 5.695 1.00 0.00 H new ATOM 672 N THR A 91 2.332 -12.891 2.185 1.00 0.00 N ATOM 673 CA THR A 91 1.574 -12.315 1.048 1.00 0.00 C ATOM 674 C THR A 91 0.917 -11.015 1.518 1.00 0.00 C ATOM 675 O THR A 91 0.919 -10.710 2.694 1.00 0.00 O ATOM 676 CB THR A 91 0.523 -13.329 0.602 1.00 0.00 C ATOM 677 OG1 THR A 91 -0.543 -12.659 -0.055 1.00 0.00 O ATOM 678 CG2 THR A 91 -0.017 -14.097 1.807 1.00 0.00 C ATOM 0 H THR A 91 2.192 -13.889 2.343 1.00 0.00 H new ATOM 0 HA THR A 91 2.228 -12.096 0.204 1.00 0.00 H new ATOM 0 HB THR A 91 0.987 -14.035 -0.087 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.395 -12.680 -1.024 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.765 -14.816 1.474 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.800 -14.625 2.298 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.472 -13.399 2.509 1.00 0.00 H new ATOM 679 N ALA A 92 0.382 -10.224 0.628 1.00 0.00 N ATOM 680 CA ALA A 92 -0.219 -8.937 1.093 1.00 0.00 C ATOM 681 C ALA A 92 -1.481 -8.568 0.307 1.00 0.00 C ATOM 682 O ALA A 92 -1.805 -9.155 -0.707 1.00 0.00 O ATOM 683 CB ALA A 92 0.811 -7.820 0.921 1.00 0.00 C ATOM 0 H ALA A 92 0.334 -10.403 -0.375 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.500 -9.060 2.139 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.383 -6.876 1.257 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.697 -8.048 1.513 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.088 -7.739 -0.130 1.00 0.00 H new ATOM 684 N VAL A 93 -2.167 -7.556 0.777 1.00 0.00 N ATOM 685 CA VAL A 93 -3.394 -7.060 0.096 1.00 0.00 C ATOM 686 C VAL A 93 -3.221 -5.545 -0.055 1.00 0.00 C ATOM 687 O VAL A 93 -2.716 -4.892 0.836 1.00 0.00 O ATOM 688 CB VAL A 93 -4.630 -7.388 0.938 1.00 0.00 C ATOM 689 CG1 VAL A 93 -5.855 -6.698 0.335 1.00 0.00 C ATOM 690 CG2 VAL A 93 -4.852 -8.901 0.942 1.00 0.00 C ATOM 0 H VAL A 93 -1.919 -7.044 1.624 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.533 -7.532 -0.877 1.00 0.00 H new ATOM 0 HB VAL A 93 -4.480 -7.037 1.959 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.735 -6.931 0.934 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -5.697 -5.619 0.326 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.006 -7.051 -0.685 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.731 -9.138 1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.004 -9.249 -0.080 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.979 -9.396 1.368 1.00 0.00 H new ATOM 691 N TYR A 94 -3.585 -4.984 -1.175 1.00 0.00 N ATOM 692 CA TYR A 94 -3.365 -3.514 -1.373 1.00 0.00 C ATOM 693 C TYR A 94 -4.684 -2.806 -1.740 1.00 0.00 C ATOM 694 O TYR A 94 -5.632 -3.434 -2.152 1.00 0.00 O ATOM 695 CB TYR A 94 -2.362 -3.354 -2.525 1.00 0.00 C ATOM 696 CG TYR A 94 -1.171 -4.262 -2.320 1.00 0.00 C ATOM 697 CD1 TYR A 94 -0.682 -4.509 -1.034 1.00 0.00 C ATOM 698 CD2 TYR A 94 -0.538 -4.832 -3.428 1.00 0.00 C ATOM 699 CE1 TYR A 94 0.434 -5.324 -0.850 1.00 0.00 C ATOM 700 CE2 TYR A 94 0.583 -5.651 -3.246 1.00 0.00 C ATOM 701 CZ TYR A 94 1.070 -5.895 -1.956 1.00 0.00 C ATOM 702 OH TYR A 94 2.178 -6.696 -1.773 1.00 0.00 O ATOM 0 H TYR A 94 -4.022 -5.470 -1.958 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.990 -3.066 -0.453 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.847 -3.589 -3.472 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.030 -2.317 -2.585 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -1.171 -4.066 -0.179 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -0.913 -4.641 -4.423 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.807 -5.514 0.146 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.072 -6.095 -4.101 1.00 0.00 H new ATOM 0 HH TYR A 94 2.664 -6.405 -0.973 1.00 0.00 H new ATOM 703 N TYR A 95 -4.751 -1.494 -1.599 1.00 0.00 N ATOM 704 CA TYR A 95 -6.007 -0.759 -1.953 1.00 0.00 C ATOM 705 C TYR A 95 -5.659 0.551 -2.672 1.00 0.00 C ATOM 706 O TYR A 95 -5.054 1.438 -2.107 1.00 0.00 O ATOM 707 CB TYR A 95 -6.781 -0.441 -0.681 1.00 0.00 C ATOM 708 CG TYR A 95 -7.591 -1.642 -0.289 1.00 0.00 C ATOM 709 CD1 TYR A 95 -6.978 -2.681 0.408 1.00 0.00 C ATOM 710 CD2 TYR A 95 -8.946 -1.722 -0.626 1.00 0.00 C ATOM 711 CE1 TYR A 95 -7.717 -3.809 0.774 1.00 0.00 C ATOM 712 CE2 TYR A 95 -9.690 -2.850 -0.261 1.00 0.00 C ATOM 713 CZ TYR A 95 -9.074 -3.895 0.441 1.00 0.00 C ATOM 714 OH TYR A 95 -9.804 -5.009 0.806 1.00 0.00 O ATOM 0 H TYR A 95 -3.990 -0.908 -1.255 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.614 -1.382 -2.610 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.093 -0.173 0.121 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.434 0.417 -0.842 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.931 -2.615 0.666 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -9.417 -0.915 -1.167 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.241 -4.614 1.314 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -10.737 -2.915 -0.520 1.00 0.00 H new ATOM 0 HH TYR A 95 -10.729 -4.909 0.499 1.00 0.00 H new ATOM 715 N CYS A 96 -6.036 0.673 -3.916 1.00 0.00 N ATOM 716 CA CYS A 96 -5.721 1.912 -4.689 1.00 0.00 C ATOM 717 C CYS A 96 -6.149 3.172 -3.932 1.00 0.00 C ATOM 718 O CYS A 96 -6.932 3.115 -3.005 1.00 0.00 O ATOM 719 CB CYS A 96 -6.450 1.889 -6.023 1.00 0.00 C ATOM 720 SG CYS A 96 -5.556 0.858 -7.205 1.00 0.00 S ATOM 0 H CYS A 96 -6.553 -0.037 -4.435 1.00 0.00 H new ATOM 0 HA CYS A 96 -4.642 1.936 -4.839 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -7.461 1.505 -5.887 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -6.544 2.903 -6.412 1.00 0.00 H new ATOM 721 N ALA A 97 -5.648 4.325 -4.335 1.00 0.00 N ATOM 722 CA ALA A 97 -6.045 5.588 -3.643 1.00 0.00 C ATOM 723 C ALA A 97 -5.341 6.801 -4.272 1.00 0.00 C ATOM 724 O ALA A 97 -4.438 6.671 -5.069 1.00 0.00 O ATOM 725 CB ALA A 97 -5.646 5.492 -2.174 1.00 0.00 C ATOM 0 H ALA A 97 -4.989 4.438 -5.105 1.00 0.00 H new ATOM 0 HA ALA A 97 -7.123 5.718 -3.742 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.931 6.409 -1.659 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.154 4.644 -1.714 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.567 5.354 -2.098 1.00 0.00 H new ATOM 726 N ARG A 98 -5.752 7.985 -3.911 1.00 0.00 N ATOM 727 CA ARG A 98 -5.094 9.211 -4.469 1.00 0.00 C ATOM 728 C ARG A 98 -4.590 10.094 -3.329 1.00 0.00 C ATOM 729 O ARG A 98 -4.757 9.785 -2.165 1.00 0.00 O ATOM 730 CB ARG A 98 -6.085 10.041 -5.272 1.00 0.00 C ATOM 731 CG ARG A 98 -5.344 10.764 -6.402 1.00 0.00 C ATOM 732 CD ARG A 98 -6.148 10.686 -7.703 1.00 0.00 C ATOM 733 NE ARG A 98 -5.679 11.753 -8.634 1.00 0.00 N ATOM 734 CZ ARG A 98 -6.366 12.032 -9.708 1.00 0.00 C ATOM 735 NH1 ARG A 98 -6.770 11.073 -10.493 1.00 0.00 N ATOM 736 NH2 ARG A 98 -6.648 13.273 -10.004 1.00 0.00 N ATOM 0 H ARG A 98 -6.513 8.162 -3.255 1.00 0.00 H new ATOM 0 HA ARG A 98 -4.274 8.881 -5.107 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.864 9.399 -5.685 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.579 10.765 -4.624 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.181 11.807 -6.130 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -4.361 10.315 -6.547 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -6.024 9.705 -8.163 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.211 10.809 -7.496 1.00 0.00 H new ATOM 0 HE ARG A 98 -4.821 12.265 -8.431 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -6.549 10.103 -10.268 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -7.307 11.293 -11.332 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -6.331 14.027 -9.395 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -7.185 13.488 -10.844 1.00 0.00 H new ATOM 737 N LEU A 99 -3.995 11.209 -3.661 1.00 0.00 N ATOM 738 CA LEU A 99 -3.501 12.135 -2.603 1.00 0.00 C ATOM 739 C LEU A 99 -4.290 13.450 -2.658 1.00 0.00 C ATOM 740 O LEU A 99 -4.304 14.216 -1.714 1.00 0.00 O ATOM 741 CB LEU A 99 -2.007 12.417 -2.817 1.00 0.00 C ATOM 742 CG LEU A 99 -1.817 13.422 -3.958 1.00 0.00 C ATOM 743 CD1 LEU A 99 -0.388 13.965 -3.927 1.00 0.00 C ATOM 744 CD2 LEU A 99 -2.068 12.726 -5.297 1.00 0.00 C ATOM 0 H LEU A 99 -3.830 11.518 -4.619 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.642 11.672 -1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -1.568 12.810 -1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.484 11.489 -3.049 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.521 14.245 -3.838 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.253 14.680 -4.739 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -0.208 14.461 -2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.317 13.142 -4.047 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.933 13.440 -6.109 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.364 11.903 -5.417 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.086 12.338 -5.320 1.00 0.00 H new ATOM 745 N LYS A 100 -4.939 13.726 -3.762 1.00 0.00 N ATOM 746 CA LYS A 100 -5.714 14.997 -3.879 1.00 0.00 C ATOM 747 C LYS A 100 -7.027 14.883 -3.107 1.00 0.00 C ATOM 748 O LYS A 100 -7.210 13.992 -2.305 1.00 0.00 O ATOM 749 CB LYS A 100 -6.027 15.273 -5.349 1.00 0.00 C ATOM 750 CG LYS A 100 -4.734 15.265 -6.161 1.00 0.00 C ATOM 751 CD LYS A 100 -5.062 14.920 -7.612 1.00 0.00 C ATOM 752 CE LYS A 100 -5.410 16.202 -8.371 1.00 0.00 C ATOM 753 NZ LYS A 100 -4.231 17.113 -8.372 1.00 0.00 N ATOM 0 H LYS A 100 -4.965 13.126 -4.586 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.118 15.811 -3.466 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.713 14.518 -5.733 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.525 16.237 -5.450 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.249 16.239 -6.106 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -4.035 14.537 -5.749 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.212 14.426 -8.081 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.898 14.222 -7.652 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.700 15.964 -9.394 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.263 16.694 -7.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -4.241 17.692 -9.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.271 17.733 -7.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.357 16.550 -8.343 1.00 0.00 H new ATOM 754 N LYS A 101 -7.947 15.780 -3.348 1.00 0.00 N ATOM 755 CA LYS A 101 -9.249 15.721 -2.626 1.00 0.00 C ATOM 756 C LYS A 101 -10.319 15.151 -3.550 1.00 0.00 C ATOM 757 O LYS A 101 -10.622 13.976 -3.489 1.00 0.00 O ATOM 758 CB LYS A 101 -9.653 17.117 -2.151 1.00 0.00 C ATOM 759 CG LYS A 101 -10.025 17.063 -0.669 1.00 0.00 C ATOM 760 CD LYS A 101 -9.603 18.363 0.016 1.00 0.00 C ATOM 761 CE LYS A 101 -10.611 19.464 -0.311 1.00 0.00 C ATOM 762 NZ LYS A 101 -11.328 19.868 0.931 1.00 0.00 N ATOM 0 H LYS A 101 -7.852 16.548 -4.012 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.146 15.074 -1.755 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -8.832 17.817 -2.306 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.497 17.482 -2.736 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -11.099 16.915 -0.559 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.536 16.214 -0.192 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.547 18.216 1.095 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.608 18.656 -0.318 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.099 20.323 -0.744 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.324 19.110 -1.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.014 20.617 0.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.829 19.046 1.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.642 20.223 1.628 1.00 0.00 H new ATOM 763 N TYR A 102 -10.884 15.947 -4.426 1.00 0.00 N ATOM 764 CA TYR A 102 -11.906 15.386 -5.356 1.00 0.00 C ATOM 765 C TYR A 102 -11.318 14.098 -5.921 1.00 0.00 C ATOM 766 O TYR A 102 -12.011 13.161 -6.264 1.00 0.00 O ATOM 767 CB TYR A 102 -12.196 16.381 -6.485 1.00 0.00 C ATOM 768 CG TYR A 102 -11.028 16.428 -7.444 1.00 0.00 C ATOM 769 CD1 TYR A 102 -10.828 15.384 -8.356 1.00 0.00 C ATOM 770 CD2 TYR A 102 -10.148 17.516 -7.422 1.00 0.00 C ATOM 771 CE1 TYR A 102 -9.747 15.428 -9.243 1.00 0.00 C ATOM 772 CE2 TYR A 102 -9.066 17.560 -8.310 1.00 0.00 C ATOM 773 CZ TYR A 102 -8.867 16.516 -9.220 1.00 0.00 C ATOM 774 OH TYR A 102 -7.801 16.558 -10.094 1.00 0.00 O ATOM 0 H TYR A 102 -10.685 16.942 -4.535 1.00 0.00 H new ATOM 0 HA TYR A 102 -12.847 15.193 -4.840 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -13.102 16.088 -7.016 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -12.377 17.373 -6.070 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -11.508 14.545 -8.375 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -10.303 18.322 -6.720 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -9.592 14.622 -9.945 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -8.386 18.399 -8.292 1.00 0.00 H new ATOM 0 HH TYR A 102 -7.290 17.381 -9.947 1.00 0.00 H new ATOM 775 N ALA A 103 -10.016 14.056 -5.973 1.00 0.00 N ATOM 776 CA ALA A 103 -9.302 12.858 -6.453 1.00 0.00 C ATOM 777 C ALA A 103 -8.511 12.303 -5.282 1.00 0.00 C ATOM 778 O ALA A 103 -7.313 12.483 -5.211 1.00 0.00 O ATOM 779 CB ALA A 103 -8.313 13.266 -7.529 1.00 0.00 C ATOM 0 H ALA A 103 -9.409 14.826 -5.694 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.006 12.126 -6.849 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.782 12.385 -7.888 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.848 13.730 -8.358 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.598 13.977 -7.115 1.00 0.00 H new ATOM 780 N PHE A 104 -9.154 11.671 -4.344 1.00 0.00 N ATOM 781 CA PHE A 104 -8.396 11.154 -3.180 1.00 0.00 C ATOM 782 C PHE A 104 -8.404 9.616 -3.135 1.00 0.00 C ATOM 783 O PHE A 104 -8.155 8.955 -4.121 1.00 0.00 O ATOM 784 CB PHE A 104 -8.965 11.740 -1.891 1.00 0.00 C ATOM 785 CG PHE A 104 -7.816 11.907 -0.925 1.00 0.00 C ATOM 786 CD1 PHE A 104 -6.755 10.988 -0.947 1.00 0.00 C ATOM 787 CD2 PHE A 104 -7.781 12.990 -0.039 1.00 0.00 C ATOM 788 CE1 PHE A 104 -5.672 11.147 -0.091 1.00 0.00 C ATOM 789 CE2 PHE A 104 -6.684 13.153 0.815 1.00 0.00 C ATOM 790 CZ PHE A 104 -5.632 12.228 0.785 1.00 0.00 C ATOM 0 H PHE A 104 -10.158 11.493 -4.333 1.00 0.00 H new ATOM 0 HA PHE A 104 -7.357 11.466 -3.284 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -9.446 12.699 -2.085 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -9.726 11.081 -1.473 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -6.781 10.154 -1.632 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -8.597 13.697 -0.014 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -4.862 10.433 -0.105 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -6.649 13.990 1.496 1.00 0.00 H new ATOM 0 HZ PHE A 104 -4.786 12.354 1.445 1.00 0.00 H new ATOM 791 N ASP A 105 -8.671 9.046 -1.985 1.00 0.00 N ATOM 792 CA ASP A 105 -8.675 7.564 -1.838 1.00 0.00 C ATOM 793 C ASP A 105 -9.915 6.976 -2.492 1.00 0.00 C ATOM 794 O ASP A 105 -10.167 5.791 -2.399 1.00 0.00 O ATOM 795 CB ASP A 105 -8.660 7.198 -0.353 1.00 0.00 C ATOM 796 CG ASP A 105 -7.293 7.540 0.241 1.00 0.00 C ATOM 797 OD1 ASP A 105 -7.017 8.717 0.403 1.00 0.00 O ATOM 798 OD2 ASP A 105 -6.545 6.618 0.525 1.00 0.00 O ATOM 0 H ASP A 105 -8.890 9.558 -1.130 1.00 0.00 H new ATOM 0 HA ASP A 105 -7.789 7.157 -2.325 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -9.444 7.741 0.175 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -8.868 6.135 -0.227 1.00 0.00 H new ATOM 799 N TYR A 106 -10.691 7.795 -3.152 1.00 0.00 N ATOM 800 CA TYR A 106 -11.923 7.279 -3.832 1.00 0.00 C ATOM 801 C TYR A 106 -11.627 5.920 -4.453 1.00 0.00 C ATOM 802 O TYR A 106 -12.498 5.086 -4.599 1.00 0.00 O ATOM 803 CB TYR A 106 -12.399 8.258 -4.916 1.00 0.00 C ATOM 804 CG TYR A 106 -11.310 8.482 -5.933 1.00 0.00 C ATOM 805 CD1 TYR A 106 -10.227 9.303 -5.620 1.00 0.00 C ATOM 806 CD2 TYR A 106 -11.391 7.879 -7.193 1.00 0.00 C ATOM 807 CE1 TYR A 106 -9.221 9.524 -6.560 1.00 0.00 C ATOM 808 CE2 TYR A 106 -10.384 8.100 -8.138 1.00 0.00 C ATOM 809 CZ TYR A 106 -9.297 8.923 -7.821 1.00 0.00 C ATOM 810 OH TYR A 106 -8.302 9.142 -8.753 1.00 0.00 O ATOM 0 H TYR A 106 -10.528 8.797 -3.251 1.00 0.00 H new ATOM 0 HA TYR A 106 -12.716 7.179 -3.091 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -13.289 7.863 -5.407 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -12.681 9.207 -4.460 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -10.167 9.769 -4.647 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -12.230 7.244 -7.435 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -8.383 10.159 -6.314 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.445 7.636 -9.111 1.00 0.00 H new ATOM 0 HH TYR A 106 -7.649 8.412 -8.713 1.00 0.00 H new ATOM 811 N TRP A 107 -10.394 5.692 -4.783 1.00 0.00 N ATOM 812 CA TRP A 107 -9.993 4.384 -5.351 1.00 0.00 C ATOM 813 C TRP A 107 -10.533 3.288 -4.423 1.00 0.00 C ATOM 814 O TRP A 107 -11.232 3.566 -3.470 1.00 0.00 O ATOM 815 CB TRP A 107 -8.467 4.269 -5.409 1.00 0.00 C ATOM 816 CG TRP A 107 -7.875 5.356 -6.260 1.00 0.00 C ATOM 817 CD1 TRP A 107 -7.929 6.677 -5.982 1.00 0.00 C ATOM 818 CD2 TRP A 107 -7.133 5.247 -7.513 1.00 0.00 C ATOM 819 NE1 TRP A 107 -7.283 7.377 -6.965 1.00 0.00 N ATOM 820 CE2 TRP A 107 -6.776 6.550 -7.931 1.00 0.00 C ATOM 821 CE3 TRP A 107 -6.738 4.167 -8.329 1.00 0.00 C ATOM 822 CZ2 TRP A 107 -6.064 6.776 -9.096 1.00 0.00 C ATOM 823 CZ3 TRP A 107 -6.012 4.397 -9.510 1.00 0.00 C ATOM 824 CH2 TRP A 107 -5.679 5.701 -9.896 1.00 0.00 C ATOM 0 H TRP A 107 -9.636 6.366 -4.682 1.00 0.00 H new ATOM 0 HA TRP A 107 -10.390 4.285 -6.361 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -8.056 4.328 -4.401 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -8.188 3.295 -5.811 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -8.408 7.113 -5.118 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -7.190 8.393 -6.976 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -6.995 3.157 -8.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -5.807 7.784 -9.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -5.709 3.562 -10.124 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -5.127 5.873 -10.808 1.00 0.00 H new ATOM 825 N GLY A 108 -10.201 2.052 -4.660 1.00 0.00 N ATOM 826 CA GLY A 108 -10.700 0.984 -3.754 1.00 0.00 C ATOM 827 C GLY A 108 -11.136 -0.238 -4.559 1.00 0.00 C ATOM 828 O GLY A 108 -11.579 -0.133 -5.685 1.00 0.00 O ATOM 0 H GLY A 108 -9.613 1.737 -5.432 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -9.918 0.702 -3.049 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -11.539 1.359 -3.167 1.00 0.00 H new ATOM 829 N GLN A 109 -11.016 -1.393 -3.969 1.00 0.00 N ATOM 830 CA GLN A 109 -11.420 -2.658 -4.656 1.00 0.00 C ATOM 831 C GLN A 109 -10.718 -3.849 -3.987 1.00 0.00 C ATOM 832 O GLN A 109 -11.130 -4.983 -4.129 1.00 0.00 O ATOM 833 CB GLN A 109 -11.030 -2.595 -6.137 1.00 0.00 C ATOM 834 CG GLN A 109 -11.066 -4.001 -6.741 1.00 0.00 C ATOM 835 CD GLN A 109 -12.491 -4.551 -6.662 1.00 0.00 C ATOM 836 OE1 GLN A 109 -13.436 -3.985 -7.361 1.00 0.00 O flip ATOM 837 NE2 GLN A 109 -12.749 -5.505 -5.955 1.00 0.00 N flip ATOM 0 H GLN A 109 -10.650 -1.520 -3.025 1.00 0.00 H new ATOM 0 HA GLN A 109 -12.500 -2.781 -4.578 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -11.715 -1.940 -6.676 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -10.032 -2.169 -6.242 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -10.733 -3.972 -7.778 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -10.381 -4.657 -6.204 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -12.011 -5.949 -5.408 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -13.703 -5.862 -5.909 1.00 0.00 H new ATOM 838 N GLY A 110 -9.666 -3.597 -3.253 1.00 0.00 N ATOM 839 CA GLY A 110 -8.941 -4.707 -2.566 1.00 0.00 C ATOM 840 C GLY A 110 -8.186 -5.567 -3.584 1.00 0.00 C ATOM 841 O GLY A 110 -8.766 -6.124 -4.496 1.00 0.00 O ATOM 0 H GLY A 110 -9.276 -2.667 -3.099 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -8.241 -4.296 -1.838 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -9.649 -5.325 -2.014 1.00 0.00 H new ATOM 842 N THR A 111 -6.895 -5.705 -3.416 1.00 0.00 N ATOM 843 CA THR A 111 -6.099 -6.548 -4.339 1.00 0.00 C ATOM 844 C THR A 111 -5.105 -7.321 -3.483 1.00 0.00 C ATOM 845 O THR A 111 -5.288 -7.447 -2.289 1.00 0.00 O ATOM 846 CB THR A 111 -5.355 -5.669 -5.350 1.00 0.00 C ATOM 847 OG1 THR A 111 -4.884 -6.476 -6.420 1.00 0.00 O ATOM 848 CG2 THR A 111 -4.174 -4.989 -4.665 1.00 0.00 C ATOM 0 H THR A 111 -6.359 -5.262 -2.669 1.00 0.00 H new ATOM 0 HA THR A 111 -6.742 -7.226 -4.900 1.00 0.00 H new ATOM 0 HB THR A 111 -6.033 -4.909 -5.739 1.00 0.00 H new ATOM 0 HG1 THR A 111 -4.409 -5.915 -7.068 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.646 -4.364 -5.385 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.537 -4.370 -3.845 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.494 -5.747 -4.275 1.00 0.00 H new ATOM 849 N LEU A 112 -4.056 -7.833 -4.052 1.00 0.00 N ATOM 850 CA LEU A 112 -3.093 -8.587 -3.212 1.00 0.00 C ATOM 851 C LEU A 112 -1.976 -9.167 -4.065 1.00 0.00 C ATOM 852 O LEU A 112 -1.831 -8.864 -5.231 1.00 0.00 O ATOM 853 CB LEU A 112 -3.832 -9.755 -2.587 1.00 0.00 C ATOM 854 CG LEU A 112 -4.272 -10.641 -3.740 1.00 0.00 C ATOM 855 CD1 LEU A 112 -3.221 -11.732 -3.957 1.00 0.00 C ATOM 856 CD2 LEU A 112 -5.632 -11.271 -3.429 1.00 0.00 C ATOM 0 H LEU A 112 -3.825 -7.765 -5.043 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.673 -7.914 -2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -3.186 -10.302 -1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -4.691 -9.410 -2.011 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.369 -10.043 -4.646 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.528 -12.374 -4.783 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -2.262 -11.271 -4.192 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -3.124 -12.329 -3.050 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.939 -11.904 -4.262 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.555 -11.873 -2.524 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.372 -10.484 -3.280 1.00 0.00 H new ATOM 857 N VAL A 113 -1.218 -10.037 -3.467 1.00 0.00 N ATOM 858 CA VAL A 113 -0.104 -10.715 -4.174 1.00 0.00 C ATOM 859 C VAL A 113 0.248 -11.959 -3.367 1.00 0.00 C ATOM 860 O VAL A 113 0.117 -11.966 -2.157 1.00 0.00 O ATOM 861 CB VAL A 113 1.094 -9.782 -4.239 1.00 0.00 C ATOM 862 CG1 VAL A 113 0.648 -8.427 -4.793 1.00 0.00 C ATOM 863 CG2 VAL A 113 1.659 -9.598 -2.832 1.00 0.00 C ATOM 0 H VAL A 113 -1.328 -10.313 -2.491 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.387 -10.984 -5.192 1.00 0.00 H new ATOM 0 HB VAL A 113 1.860 -10.205 -4.889 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.504 -7.754 -4.842 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.235 -8.561 -5.793 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.113 -8.000 -4.140 1.00 0.00 H new ATOM 0 HG21 VAL A 113 2.519 -8.930 -2.870 1.00 0.00 H new ATOM 0 HG22 VAL A 113 0.894 -9.168 -2.186 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.968 -10.565 -2.435 1.00 0.00 H new ATOM 864 N THR A 114 0.674 -13.016 -3.997 1.00 0.00 N ATOM 865 CA THR A 114 0.992 -14.237 -3.209 1.00 0.00 C ATOM 866 C THR A 114 2.330 -14.823 -3.639 1.00 0.00 C ATOM 867 O THR A 114 2.814 -14.578 -4.725 1.00 0.00 O ATOM 868 CB THR A 114 -0.104 -15.282 -3.421 1.00 0.00 C ATOM 869 OG1 THR A 114 -1.375 -14.684 -3.203 1.00 0.00 O ATOM 870 CG2 THR A 114 0.096 -16.436 -2.437 1.00 0.00 C ATOM 0 H THR A 114 0.814 -13.088 -5.005 1.00 0.00 H new ATOM 0 HA THR A 114 1.049 -13.963 -2.156 1.00 0.00 H new ATOM 0 HB THR A 114 -0.053 -15.663 -4.441 1.00 0.00 H new ATOM 0 HG1 THR A 114 -2.079 -15.352 -3.340 1.00 0.00 H new ATOM 0 HG21 THR A 114 -0.685 -17.182 -2.587 1.00 0.00 H new ATOM 0 HG22 THR A 114 1.071 -16.893 -2.605 1.00 0.00 H new ATOM 0 HG23 THR A 114 0.044 -16.057 -1.416 1.00 0.00 H new ATOM 871 N VAL A 115 2.922 -15.605 -2.786 1.00 0.00 N ATOM 872 CA VAL A 115 4.228 -16.231 -3.123 1.00 0.00 C ATOM 873 C VAL A 115 3.982 -17.601 -3.759 1.00 0.00 C ATOM 874 O VAL A 115 3.144 -18.360 -3.314 1.00 0.00 O ATOM 875 CB VAL A 115 5.041 -16.403 -1.846 1.00 0.00 C ATOM 876 CG1 VAL A 115 5.384 -15.024 -1.272 1.00 0.00 C ATOM 877 CG2 VAL A 115 4.215 -17.197 -0.828 1.00 0.00 C ATOM 0 H VAL A 115 2.556 -15.840 -1.863 1.00 0.00 H new ATOM 0 HA VAL A 115 4.773 -15.598 -3.823 1.00 0.00 H new ATOM 0 HB VAL A 115 5.964 -16.941 -2.064 1.00 0.00 H new ATOM 0 HG11 VAL A 115 5.966 -15.145 -0.358 1.00 0.00 H new ATOM 0 HG12 VAL A 115 5.966 -14.461 -2.001 1.00 0.00 H new ATOM 0 HG13 VAL A 115 4.464 -14.484 -1.048 1.00 0.00 H new ATOM 0 HG21 VAL A 115 4.791 -17.324 0.089 1.00 0.00 H new ATOM 0 HG22 VAL A 115 3.294 -16.657 -0.606 1.00 0.00 H new ATOM 0 HG23 VAL A 115 3.971 -18.176 -1.241 1.00 0.00 H new