USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 674 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 86 MET CE :methyl -171:sc= -5.71! (180deg=-6.36!) USER MOD Set 1.2: A 90 TYR OH : rot -165:sc= -0.311 USER MOD Set 2.1: A 4 ASN : amide:sc= 0.0198 K(o=1.4,f=-1.7!) USER MOD Set 2.2: A 68 HIS : no HE2:sc= -0.551 K(o=1.4,f=-7.6!) USER MOD Set 2.3: A 69 THR OG1 : rot -85:sc= 0.0612 USER MOD Set 2.4: A 89 ASN : amide:sc= 1.88 K(o=1.4,f=-1.4) USER MOD Set 3.1: A 65 ASN : amide:sc= 0.903 K(o=2.2,f=1.5) USER MOD Set 3.2: A 71 THR OG1 : rot 50:sc= 1.31 USER MOD Single : A 1 MET CE :methyl -161:sc= -0.135 (180deg=-0.701) USER MOD Single : A 1 MET N :NH3+ -179:sc= -0.154 (180deg=-0.162) USER MOD Single : A 2 GLN : amide:sc= -0.298 X(o=-0.3,f=-0.48) USER MOD Single : A 7 ASN : amide:sc= -1.68 K(o=-1.7,f=-3.9!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 15:sc= 0.428 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.683 K(o=0.68,f=-8.1!) USER MOD Single : A 29 HIS :FLIP no HE2:sc= 0.0691 F(o=-0.46,f=0.069) USER MOD Single : A 31 HIS : no HE2:sc= 1.17 K(o=1.2,f=-4.5!) USER MOD Single : A 33 THR OG1 : rot -140:sc=-0.00103 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN :FLIP amide:sc= -1.76! C(o=-4.9!,f=-1.8!) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0.0038) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 1.02 K(o=1,f=-4.2!) USER MOD Single : A 45 ASN : amide:sc= -5.41! C(o=-5.4!,f=-7.4!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -150:sc= -0.0555 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 161:sc= -0.0493 (180deg=-0.355) USER MOD Single : A 62 THR OG1 : rot -159:sc= 0.275 USER MOD Single : A 73 SER OG : rot -138:sc= 0.774 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HE2:sc= 0.268 K(o=0.27,f=-0.97) USER MOD Single : A 84 SER OG : rot 50:sc= -1.18! USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -2.94! C(o=-2.9!,f=-4.3!) USER MOD Single : A 95 SER OG : rot -71:sc= 0.313 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot -11:sc= 0.881 USER MOD Single : A 106 ASN :FLIP amide:sc= -0.331 F(o=-1.5,f=-0.33) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot -125:sc= 0.0171 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.076 -3.507 0.135 1.00 0.00 N ATOM 2 CA MET A 1 16.266 -4.556 0.802 1.00 0.00 C ATOM 3 C MET A 1 15.141 -5.036 -0.114 1.00 0.00 C ATOM 4 O MET A 1 14.864 -6.233 -0.175 1.00 0.00 O ATOM 5 CB MET A 1 15.699 -4.035 2.134 1.00 0.00 C ATOM 6 CG MET A 1 14.795 -2.817 2.009 1.00 0.00 C ATOM 7 SD MET A 1 14.199 -2.224 3.607 1.00 0.00 S ATOM 8 CE MET A 1 13.291 -3.656 4.191 1.00 0.00 C ATOM 0 H1 MET A 1 17.845 -3.207 0.768 1.00 0.00 H new ATOM 0 H2 MET A 1 17.480 -3.887 -0.745 1.00 0.00 H new ATOM 0 H3 MET A 1 16.472 -2.690 -0.087 1.00 0.00 H new ATOM 0 HA MET A 1 16.915 -5.406 1.015 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.139 -4.838 2.613 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.530 -3.787 2.795 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.339 -2.016 1.509 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.942 -3.066 1.377 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.599 -3.353 4.977 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.732 -4.094 3.364 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.990 -4.393 4.587 1.00 0.00 H new ATOM 18 N GLN A 2 14.519 -4.099 -0.836 1.00 0.00 N ATOM 19 CA GLN A 2 13.426 -4.404 -1.764 1.00 0.00 C ATOM 20 C GLN A 2 12.245 -5.073 -1.076 1.00 0.00 C ATOM 21 O GLN A 2 12.248 -6.274 -0.798 1.00 0.00 O ATOM 22 CB GLN A 2 13.909 -5.275 -2.915 1.00 0.00 C ATOM 23 CG GLN A 2 14.931 -4.591 -3.804 1.00 0.00 C ATOM 24 CD GLN A 2 14.436 -3.254 -4.315 1.00 0.00 C ATOM 25 OE1 GLN A 2 14.657 -2.217 -3.695 1.00 0.00 O ATOM 26 NE2 GLN A 2 13.738 -3.273 -5.436 1.00 0.00 N ATOM 0 H GLN A 2 14.759 -3.109 -0.794 1.00 0.00 H new ATOM 0 HA GLN A 2 13.084 -3.446 -2.156 1.00 0.00 H new ATOM 0 HB2 GLN A 2 14.344 -6.189 -2.511 1.00 0.00 H new ATOM 0 HB3 GLN A 2 13.052 -5.571 -3.521 1.00 0.00 H new ATOM 0 HG2 GLN A 2 15.856 -4.446 -3.247 1.00 0.00 H new ATOM 0 HG3 GLN A 2 15.166 -5.237 -4.649 1.00 0.00 H new ATOM 0 HE21 GLN A 2 13.576 -4.155 -5.921 1.00 0.00 H new ATOM 0 HE22 GLN A 2 13.361 -2.405 -5.817 1.00 0.00 H new ATOM 33 N CYS A 3 11.228 -4.275 -0.839 1.00 0.00 N ATOM 34 CA CYS A 3 10.007 -4.742 -0.203 1.00 0.00 C ATOM 35 C CYS A 3 9.234 -5.640 -1.167 1.00 0.00 C ATOM 36 O CYS A 3 9.268 -6.862 -1.038 1.00 0.00 O ATOM 37 CB CYS A 3 9.155 -3.547 0.228 1.00 0.00 C ATOM 38 SG CYS A 3 10.057 -2.321 1.230 1.00 0.00 S ATOM 0 H CYS A 3 11.220 -3.284 -1.080 1.00 0.00 H new ATOM 0 HA CYS A 3 10.259 -5.322 0.685 1.00 0.00 H new ATOM 0 HB2 CYS A 3 8.760 -3.055 -0.661 1.00 0.00 H new ATOM 0 HB3 CYS A 3 8.300 -3.910 0.798 1.00 0.00 H new ATOM 42 N ASN A 4 8.551 -5.015 -2.131 1.00 0.00 N ATOM 43 CA ASN A 4 7.782 -5.719 -3.167 1.00 0.00 C ATOM 44 C ASN A 4 6.984 -6.909 -2.635 1.00 0.00 C ATOM 45 O ASN A 4 7.369 -8.059 -2.851 1.00 0.00 O ATOM 46 CB ASN A 4 8.720 -6.203 -4.276 1.00 0.00 C ATOM 47 CG ASN A 4 9.328 -5.070 -5.075 1.00 0.00 C ATOM 48 OD1 ASN A 4 8.766 -4.634 -6.077 1.00 0.00 O ATOM 49 ND2 ASN A 4 10.490 -4.595 -4.651 1.00 0.00 N ATOM 0 H ASN A 4 8.515 -3.999 -2.217 1.00 0.00 H new ATOM 0 HA ASN A 4 7.062 -4.997 -3.552 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.519 -6.798 -3.834 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.169 -6.860 -4.949 1.00 0.00 H new ATOM 0 HD21 ASN A 4 10.949 -3.841 -5.161 1.00 0.00 H new ATOM 0 HD22 ASN A 4 10.925 -4.984 -3.814 1.00 0.00 H new ATOM 55 N PHE A 5 5.866 -6.645 -1.962 1.00 0.00 N ATOM 56 CA PHE A 5 5.036 -7.728 -1.431 1.00 0.00 C ATOM 57 C PHE A 5 4.493 -8.612 -2.563 1.00 0.00 C ATOM 58 O PHE A 5 4.345 -9.821 -2.406 1.00 0.00 O ATOM 59 CB PHE A 5 3.867 -7.158 -0.610 1.00 0.00 C ATOM 60 CG PHE A 5 2.724 -6.619 -1.436 1.00 0.00 C ATOM 61 CD1 PHE A 5 2.901 -5.537 -2.285 1.00 0.00 C ATOM 62 CD2 PHE A 5 1.467 -7.201 -1.361 1.00 0.00 C ATOM 63 CE1 PHE A 5 1.852 -5.048 -3.041 1.00 0.00 C ATOM 64 CE2 PHE A 5 0.414 -6.715 -2.114 1.00 0.00 C ATOM 65 CZ PHE A 5 0.608 -5.638 -2.954 1.00 0.00 C ATOM 0 H PHE A 5 5.516 -5.706 -1.772 1.00 0.00 H new ATOM 0 HA PHE A 5 5.662 -8.340 -0.782 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.486 -7.940 0.047 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.244 -6.360 0.029 1.00 0.00 H new ATOM 0 HD1 PHE A 5 3.872 -5.070 -2.357 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.309 -8.045 -0.706 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.006 -4.205 -3.699 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.559 -7.178 -2.045 1.00 0.00 H new ATOM 0 HZ PHE A 5 -0.213 -5.257 -3.543 1.00 0.00 H new ATOM 74 N ALA A 6 4.240 -7.996 -3.712 1.00 0.00 N ATOM 75 CA ALA A 6 3.677 -8.689 -4.872 1.00 0.00 C ATOM 76 C ALA A 6 4.626 -9.711 -5.489 1.00 0.00 C ATOM 77 O ALA A 6 4.183 -10.632 -6.175 1.00 0.00 O ATOM 78 CB ALA A 6 3.264 -7.676 -5.917 1.00 0.00 C ATOM 0 H ALA A 6 4.418 -7.004 -3.869 1.00 0.00 H new ATOM 0 HA ALA A 6 2.811 -9.247 -4.515 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.845 -8.194 -6.780 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.514 -7.005 -5.497 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.135 -7.098 -6.228 1.00 0.00 H new ATOM 84 N ASN A 7 5.921 -9.558 -5.255 1.00 0.00 N ATOM 85 CA ASN A 7 6.902 -10.484 -5.819 1.00 0.00 C ATOM 86 C ASN A 7 6.696 -11.893 -5.284 1.00 0.00 C ATOM 87 O ASN A 7 7.023 -12.876 -5.949 1.00 0.00 O ATOM 88 CB ASN A 7 8.331 -10.017 -5.540 1.00 0.00 C ATOM 89 CG ASN A 7 8.733 -8.841 -6.407 1.00 0.00 C ATOM 90 OD1 ASN A 7 7.900 -8.024 -6.796 1.00 0.00 O ATOM 91 ND2 ASN A 7 10.014 -8.746 -6.722 1.00 0.00 N ATOM 0 H ASN A 7 6.318 -8.811 -4.685 1.00 0.00 H new ATOM 0 HA ASN A 7 6.752 -10.499 -6.898 1.00 0.00 H new ATOM 0 HB2 ASN A 7 8.421 -9.739 -4.490 1.00 0.00 H new ATOM 0 HB3 ASN A 7 9.021 -10.844 -5.711 1.00 0.00 H new ATOM 0 HD21 ASN A 7 10.340 -7.976 -7.306 1.00 0.00 H new ATOM 0 HD22 ASN A 7 10.676 -9.443 -6.381 1.00 0.00 H new ATOM 97 N SER A 8 6.140 -11.986 -4.089 1.00 0.00 N ATOM 98 CA SER A 8 5.880 -13.271 -3.474 1.00 0.00 C ATOM 99 C SER A 8 4.438 -13.350 -2.975 1.00 0.00 C ATOM 100 O SER A 8 4.148 -14.057 -2.019 1.00 0.00 O ATOM 101 CB SER A 8 6.856 -13.511 -2.319 1.00 0.00 C ATOM 102 OG SER A 8 8.197 -13.558 -2.781 1.00 0.00 O ATOM 0 H SER A 8 5.860 -11.183 -3.526 1.00 0.00 H new ATOM 0 HA SER A 8 6.025 -14.048 -4.225 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.751 -12.717 -1.580 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.608 -14.447 -1.819 1.00 0.00 H new ATOM 0 HG SER A 8 8.799 -13.711 -2.023 1.00 0.00 H new ATOM 107 N CYS A 9 3.536 -12.625 -3.624 1.00 0.00 N ATOM 108 CA CYS A 9 2.134 -12.638 -3.219 1.00 0.00 C ATOM 109 C CYS A 9 1.224 -12.897 -4.407 1.00 0.00 C ATOM 110 O CYS A 9 1.498 -12.455 -5.521 1.00 0.00 O ATOM 111 CB CYS A 9 1.734 -11.324 -2.548 1.00 0.00 C ATOM 112 SG CYS A 9 0.916 -11.550 -0.933 1.00 0.00 S ATOM 0 H CYS A 9 3.745 -12.027 -4.424 1.00 0.00 H new ATOM 0 HA CYS A 9 2.018 -13.448 -2.499 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.624 -10.709 -2.413 1.00 0.00 H new ATOM 0 HB3 CYS A 9 1.065 -10.776 -3.211 1.00 0.00 H new ATOM 116 N THR A 10 0.140 -13.617 -4.156 1.00 0.00 N ATOM 117 CA THR A 10 -0.821 -13.948 -5.195 1.00 0.00 C ATOM 118 C THR A 10 -2.248 -13.860 -4.669 1.00 0.00 C ATOM 119 O THR A 10 -2.503 -14.131 -3.491 1.00 0.00 O ATOM 120 CB THR A 10 -0.580 -15.366 -5.744 1.00 0.00 C ATOM 121 OG1 THR A 10 -0.372 -16.285 -4.659 1.00 0.00 O ATOM 122 CG2 THR A 10 0.620 -15.392 -6.675 1.00 0.00 C ATOM 0 H THR A 10 -0.096 -13.985 -3.234 1.00 0.00 H new ATOM 0 HA THR A 10 -0.685 -13.223 -5.998 1.00 0.00 H new ATOM 0 HB THR A 10 -1.462 -15.666 -6.309 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.221 -17.185 -5.017 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.769 -16.405 -7.049 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.445 -14.718 -7.513 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.509 -15.072 -6.132 1.00 0.00 H new ATOM 130 N GLY A 11 -3.167 -13.476 -5.543 1.00 0.00 N ATOM 131 CA GLY A 11 -4.563 -13.367 -5.170 1.00 0.00 C ATOM 132 C GLY A 11 -4.825 -12.242 -4.192 1.00 0.00 C ATOM 133 O GLY A 11 -5.501 -12.436 -3.180 1.00 0.00 O ATOM 0 H GLY A 11 -2.968 -13.236 -6.514 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.162 -13.209 -6.067 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.891 -14.309 -4.729 1.00 0.00 H new ATOM 137 N VAL A 12 -4.294 -11.067 -4.491 1.00 0.00 N ATOM 138 CA VAL A 12 -4.474 -9.907 -3.627 1.00 0.00 C ATOM 139 C VAL A 12 -5.673 -9.071 -4.072 1.00 0.00 C ATOM 140 O VAL A 12 -5.841 -8.775 -5.258 1.00 0.00 O ATOM 141 CB VAL A 12 -3.207 -9.027 -3.580 1.00 0.00 C ATOM 142 CG1 VAL A 12 -2.081 -9.754 -2.864 1.00 0.00 C ATOM 143 CG2 VAL A 12 -2.771 -8.622 -4.977 1.00 0.00 C ATOM 0 H VAL A 12 -3.734 -10.890 -5.325 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.662 -10.285 -2.622 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.447 -8.121 -3.024 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.195 -9.119 -2.840 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.388 -9.987 -1.844 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.850 -10.679 -3.393 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.876 -8.003 -4.914 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.554 -9.515 -5.563 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.570 -8.057 -5.458 1.00 0.00 H new ATOM 153 N GLU A 13 -6.509 -8.707 -3.109 1.00 0.00 N ATOM 154 CA GLU A 13 -7.707 -7.919 -3.379 1.00 0.00 C ATOM 155 C GLU A 13 -7.745 -6.674 -2.493 1.00 0.00 C ATOM 156 O GLU A 13 -7.155 -6.664 -1.411 1.00 0.00 O ATOM 157 CB GLU A 13 -8.953 -8.774 -3.145 1.00 0.00 C ATOM 158 CG GLU A 13 -8.973 -10.046 -3.977 1.00 0.00 C ATOM 159 CD GLU A 13 -10.125 -10.956 -3.622 1.00 0.00 C ATOM 160 OE1 GLU A 13 -9.964 -11.802 -2.714 1.00 0.00 O ATOM 161 OE2 GLU A 13 -11.203 -10.827 -4.239 1.00 0.00 O ATOM 0 H GLU A 13 -6.379 -8.946 -2.126 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.686 -7.596 -4.420 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.011 -9.038 -2.089 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.839 -8.183 -3.376 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.035 -9.784 -5.033 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.035 -10.582 -3.836 1.00 0.00 H new ATOM 166 N LEU A 14 -8.445 -5.638 -2.951 1.00 0.00 N ATOM 167 CA LEU A 14 -8.544 -4.385 -2.207 1.00 0.00 C ATOM 168 C LEU A 14 -9.999 -4.009 -1.940 1.00 0.00 C ATOM 169 O LEU A 14 -10.784 -3.818 -2.871 1.00 0.00 O ATOM 170 CB LEU A 14 -7.840 -3.271 -2.992 1.00 0.00 C ATOM 171 CG LEU A 14 -7.920 -1.859 -2.397 1.00 0.00 C ATOM 172 CD1 LEU A 14 -7.575 -1.862 -0.918 1.00 0.00 C ATOM 173 CD2 LEU A 14 -6.987 -0.938 -3.143 1.00 0.00 C ATOM 0 H LEU A 14 -8.953 -5.642 -3.836 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.057 -4.516 -1.241 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.788 -3.539 -3.095 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.262 -3.242 -3.997 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.945 -1.503 -2.501 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.641 -0.847 -0.527 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.275 -2.503 -0.382 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.561 -2.238 -0.782 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.047 0.064 -2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.965 -1.308 -3.058 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.274 -0.903 -4.194 1.00 0.00 H new ATOM 184 N TYR A 15 -10.352 -3.910 -0.662 1.00 0.00 N ATOM 185 CA TYR A 15 -11.706 -3.540 -0.268 1.00 0.00 C ATOM 186 C TYR A 15 -11.686 -2.235 0.518 1.00 0.00 C ATOM 187 O TYR A 15 -11.392 -2.233 1.714 1.00 0.00 O ATOM 188 CB TYR A 15 -12.335 -4.630 0.603 1.00 0.00 C ATOM 189 CG TYR A 15 -12.174 -6.034 0.069 1.00 0.00 C ATOM 190 CD1 TYR A 15 -12.971 -6.506 -0.963 1.00 0.00 C ATOM 191 CD2 TYR A 15 -11.227 -6.890 0.613 1.00 0.00 C ATOM 192 CE1 TYR A 15 -12.831 -7.796 -1.436 1.00 0.00 C ATOM 193 CE2 TYR A 15 -11.078 -8.176 0.144 1.00 0.00 C ATOM 194 CZ TYR A 15 -11.881 -8.625 -0.880 1.00 0.00 C ATOM 195 OH TYR A 15 -11.739 -9.910 -1.343 1.00 0.00 O ATOM 0 H TYR A 15 -9.718 -4.081 0.119 1.00 0.00 H new ATOM 0 HA TYR A 15 -12.297 -3.418 -1.176 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -11.893 -4.581 1.598 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -13.398 -4.418 0.716 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -13.712 -5.855 -1.403 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -10.596 -6.542 1.418 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -13.462 -8.153 -2.237 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -10.335 -8.829 0.577 1.00 0.00 H new ATOM 0 HH TYR A 15 -12.202 -10.001 -2.202 1.00 0.00 H new ATOM 204 N GLY A 16 -11.991 -1.131 -0.147 1.00 0.00 N ATOM 205 CA GLY A 16 -12.000 0.168 0.514 1.00 0.00 C ATOM 206 C GLY A 16 -10.603 0.692 0.813 1.00 0.00 C ATOM 207 O GLY A 16 -10.211 1.749 0.329 1.00 0.00 O ATOM 0 H GLY A 16 -12.234 -1.106 -1.137 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.525 0.886 -0.116 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.561 0.092 1.446 1.00 0.00 H new ATOM 211 N TYR A 17 -9.864 -0.040 1.633 1.00 0.00 N ATOM 212 CA TYR A 17 -8.501 0.330 1.999 1.00 0.00 C ATOM 213 C TYR A 17 -7.766 -0.841 2.649 1.00 0.00 C ATOM 214 O TYR A 17 -6.777 -0.650 3.365 1.00 0.00 O ATOM 215 CB TYR A 17 -8.485 1.550 2.932 1.00 0.00 C ATOM 216 CG TYR A 17 -9.358 1.422 4.168 1.00 0.00 C ATOM 217 CD1 TYR A 17 -8.929 0.715 5.286 1.00 0.00 C ATOM 218 CD2 TYR A 17 -10.605 2.030 4.219 1.00 0.00 C ATOM 219 CE1 TYR A 17 -9.721 0.615 6.415 1.00 0.00 C ATOM 220 CE2 TYR A 17 -11.399 1.937 5.345 1.00 0.00 C ATOM 221 CZ TYR A 17 -10.954 1.228 6.439 1.00 0.00 C ATOM 222 OH TYR A 17 -11.739 1.140 7.564 1.00 0.00 O ATOM 0 H TYR A 17 -10.189 -0.906 2.064 1.00 0.00 H new ATOM 0 HA TYR A 17 -7.980 0.596 1.079 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.458 1.734 3.248 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -8.806 2.425 2.367 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -7.961 0.236 5.272 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.960 2.585 3.363 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -9.374 0.059 7.274 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -12.365 2.418 5.368 1.00 0.00 H new ATOM 0 HH TYR A 17 -12.576 1.628 7.418 1.00 0.00 H new ATOM 231 N ILE A 18 -8.247 -2.052 2.400 1.00 0.00 N ATOM 232 CA ILE A 18 -7.625 -3.248 2.952 1.00 0.00 C ATOM 233 C ILE A 18 -7.135 -4.163 1.832 1.00 0.00 C ATOM 234 O ILE A 18 -7.884 -4.492 0.909 1.00 0.00 O ATOM 235 CB ILE A 18 -8.580 -4.028 3.888 1.00 0.00 C ATOM 236 CG1 ILE A 18 -9.838 -4.485 3.146 1.00 0.00 C ATOM 237 CG2 ILE A 18 -8.956 -3.174 5.091 1.00 0.00 C ATOM 238 CD1 ILE A 18 -10.785 -5.304 3.995 1.00 0.00 C ATOM 0 H ILE A 18 -9.066 -2.232 1.819 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.775 -2.917 3.549 1.00 0.00 H new ATOM 0 HB ILE A 18 -8.055 -4.918 4.236 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -10.366 -3.608 2.772 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -9.542 -5.074 2.277 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.628 -3.736 5.740 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.055 -2.908 5.644 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -9.455 -2.266 4.751 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.652 -5.591 3.400 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.275 -6.200 4.348 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -11.112 -4.712 4.850 1.00 0.00 H new ATOM 249 N LEU A 19 -5.871 -4.545 1.907 1.00 0.00 N ATOM 250 CA LEU A 19 -5.263 -5.410 0.906 1.00 0.00 C ATOM 251 C LEU A 19 -5.022 -6.781 1.496 1.00 0.00 C ATOM 252 O LEU A 19 -4.270 -6.920 2.449 1.00 0.00 O ATOM 253 CB LEU A 19 -3.926 -4.824 0.439 1.00 0.00 C ATOM 254 CG LEU A 19 -3.713 -4.800 -1.071 1.00 0.00 C ATOM 255 CD1 LEU A 19 -3.700 -6.211 -1.639 1.00 0.00 C ATOM 256 CD2 LEU A 19 -4.793 -3.966 -1.726 1.00 0.00 C ATOM 0 H LEU A 19 -5.239 -4.267 2.658 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.939 -5.487 0.055 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.844 -3.805 0.816 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.119 -5.398 0.893 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.743 -4.349 -1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.547 -6.168 -2.717 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.892 -6.781 -1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.652 -6.697 -1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.637 -3.951 -2.805 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.769 -4.398 -1.506 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.751 -2.948 -1.339 1.00 0.00 H new ATOM 267 N ARG A 20 -5.655 -7.791 0.949 1.00 0.00 N ATOM 268 CA ARG A 20 -5.464 -9.127 1.463 1.00 0.00 C ATOM 269 C ARG A 20 -5.116 -10.086 0.346 1.00 0.00 C ATOM 270 O ARG A 20 -5.698 -10.030 -0.737 1.00 0.00 O ATOM 271 CB ARG A 20 -6.704 -9.601 2.214 1.00 0.00 C ATOM 272 CG ARG A 20 -6.523 -10.962 2.855 1.00 0.00 C ATOM 273 CD ARG A 20 -7.262 -12.049 2.087 1.00 0.00 C ATOM 274 NE ARG A 20 -8.691 -11.763 1.954 1.00 0.00 N ATOM 275 CZ ARG A 20 -9.324 -11.649 0.787 1.00 0.00 C ATOM 276 NH1 ARG A 20 -8.664 -11.802 -0.357 1.00 0.00 N ATOM 277 NH2 ARG A 20 -10.625 -11.394 0.767 1.00 0.00 N ATOM 0 H ARG A 20 -6.297 -7.717 0.160 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.630 -9.104 2.165 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.956 -8.873 2.985 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.547 -9.639 1.524 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.461 -11.205 2.899 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.886 -10.932 3.882 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.821 -12.154 1.096 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.131 -13.004 2.597 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.236 -11.643 2.808 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.665 -12.008 -0.346 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.157 -11.713 -1.246 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.137 -11.286 1.643 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.114 -11.306 -0.124 1.00 0.00 H new ATOM 288 N GLY A 21 -4.166 -10.961 0.619 1.00 0.00 N ATOM 289 CA GLY A 21 -3.743 -11.930 -0.361 1.00 0.00 C ATOM 290 C GLY A 21 -2.894 -13.017 0.251 1.00 0.00 C ATOM 291 O GLY A 21 -2.801 -13.124 1.474 1.00 0.00 O ATOM 0 H GLY A 21 -3.676 -11.017 1.512 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.619 -12.376 -0.832 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -3.179 -11.428 -1.147 1.00 0.00 H new ATOM 295 N ASP A 22 -2.267 -13.816 -0.594 1.00 0.00 N ATOM 296 CA ASP A 22 -1.422 -14.908 -0.131 1.00 0.00 C ATOM 297 C ASP A 22 0.036 -14.647 -0.460 1.00 0.00 C ATOM 298 O ASP A 22 0.435 -14.684 -1.625 1.00 0.00 O ATOM 299 CB ASP A 22 -1.860 -16.233 -0.759 1.00 0.00 C ATOM 300 CG ASP A 22 -3.062 -16.836 -0.065 1.00 0.00 C ATOM 301 OD1 ASP A 22 -2.878 -17.497 0.975 1.00 0.00 O ATOM 302 OD2 ASP A 22 -4.198 -16.659 -0.560 1.00 0.00 O ATOM 0 H ASP A 22 -2.326 -13.730 -1.609 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.530 -14.972 0.952 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.095 -16.072 -1.811 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.031 -16.940 -0.722 1.00 0.00 H new ATOM 306 N CYS A 23 0.828 -14.398 0.569 1.00 0.00 N ATOM 307 CA CYS A 23 2.249 -14.135 0.400 1.00 0.00 C ATOM 308 C CYS A 23 3.048 -15.347 0.865 1.00 0.00 C ATOM 309 O CYS A 23 2.807 -15.880 1.946 1.00 0.00 O ATOM 310 CB CYS A 23 2.669 -12.904 1.215 1.00 0.00 C ATOM 311 SG CYS A 23 2.404 -11.276 0.416 1.00 0.00 S ATOM 0 H CYS A 23 0.509 -14.372 1.537 1.00 0.00 H new ATOM 0 HA CYS A 23 2.447 -13.942 -0.654 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.124 -12.915 2.159 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.727 -12.998 1.458 1.00 0.00 H new ATOM 315 N ILE A 24 4.010 -15.763 0.056 1.00 0.00 N ATOM 316 CA ILE A 24 4.837 -16.923 0.366 1.00 0.00 C ATOM 317 C ILE A 24 5.727 -16.647 1.568 1.00 0.00 C ATOM 318 O ILE A 24 6.309 -15.569 1.688 1.00 0.00 O ATOM 319 CB ILE A 24 5.710 -17.321 -0.845 1.00 0.00 C ATOM 320 CG1 ILE A 24 4.819 -17.602 -2.060 1.00 0.00 C ATOM 321 CG2 ILE A 24 6.572 -18.528 -0.517 1.00 0.00 C ATOM 322 CD1 ILE A 24 5.583 -18.027 -3.292 1.00 0.00 C ATOM 0 H ILE A 24 4.240 -15.311 -0.829 1.00 0.00 H new ATOM 0 HA ILE A 24 4.167 -17.750 0.603 1.00 0.00 H new ATOM 0 HB ILE A 24 6.376 -16.492 -1.083 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.103 -18.382 -1.801 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.244 -16.706 -2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.178 -18.789 -1.385 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.225 -18.291 0.323 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.933 -19.371 -0.254 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.884 -18.208 -4.109 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.280 -17.239 -3.578 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.137 -18.941 -3.079 1.00 0.00 H new ATOM 333 N ASN A 25 5.810 -17.620 2.463 1.00 0.00 N ATOM 334 CA ASN A 25 6.623 -17.476 3.655 1.00 0.00 C ATOM 335 C ASN A 25 7.910 -18.277 3.518 1.00 0.00 C ATOM 336 O ASN A 25 8.169 -18.846 2.458 1.00 0.00 O ATOM 337 CB ASN A 25 5.842 -17.906 4.907 1.00 0.00 C ATOM 338 CG ASN A 25 5.767 -19.405 5.098 1.00 0.00 C ATOM 339 OD1 ASN A 25 6.586 -19.989 5.800 1.00 0.00 O ATOM 340 ND2 ASN A 25 4.797 -20.036 4.471 1.00 0.00 N ATOM 0 H ASN A 25 5.325 -18.514 2.385 1.00 0.00 H new ATOM 0 HA ASN A 25 6.883 -16.423 3.768 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.309 -17.461 5.785 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.830 -17.506 4.847 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.706 -21.048 4.560 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.136 -19.513 3.897 1.00 0.00 H new ATOM 346 N GLU A 26 8.695 -18.325 4.584 1.00 0.00 N ATOM 347 CA GLU A 26 9.966 -19.049 4.596 1.00 0.00 C ATOM 348 C GLU A 26 9.806 -20.503 4.136 1.00 0.00 C ATOM 349 O GLU A 26 10.699 -21.067 3.505 1.00 0.00 O ATOM 350 CB GLU A 26 10.555 -19.006 6.007 1.00 0.00 C ATOM 351 CG GLU A 26 9.568 -19.440 7.084 1.00 0.00 C ATOM 352 CD GLU A 26 10.185 -19.503 8.461 1.00 0.00 C ATOM 353 OE1 GLU A 26 11.013 -20.409 8.697 1.00 0.00 O ATOM 354 OE2 GLU A 26 9.826 -18.673 9.320 1.00 0.00 O ATOM 0 H GLU A 26 8.473 -17.865 5.467 1.00 0.00 H new ATOM 0 HA GLU A 26 10.640 -18.562 3.892 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.433 -19.651 6.047 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.894 -17.992 6.221 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.728 -18.746 7.100 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.166 -20.420 6.827 1.00 0.00 H new ATOM 359 N ASP A 27 8.660 -21.091 4.451 1.00 0.00 N ATOM 360 CA ASP A 27 8.357 -22.473 4.089 1.00 0.00 C ATOM 361 C ASP A 27 8.320 -22.667 2.576 1.00 0.00 C ATOM 362 O ASP A 27 8.607 -23.753 2.071 1.00 0.00 O ATOM 363 CB ASP A 27 7.008 -22.872 4.682 1.00 0.00 C ATOM 364 CG ASP A 27 6.609 -24.297 4.353 1.00 0.00 C ATOM 365 OD1 ASP A 27 5.943 -24.505 3.322 1.00 0.00 O ATOM 366 OD2 ASP A 27 6.940 -25.209 5.142 1.00 0.00 O ATOM 0 H ASP A 27 7.912 -20.625 4.965 1.00 0.00 H new ATOM 0 HA ASP A 27 9.150 -23.104 4.491 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.045 -22.753 5.765 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.240 -22.192 4.312 1.00 0.00 H new ATOM 370 N GLY A 28 7.982 -21.608 1.856 1.00 0.00 N ATOM 371 CA GLY A 28 7.893 -21.698 0.413 1.00 0.00 C ATOM 372 C GLY A 28 6.456 -21.777 -0.050 1.00 0.00 C ATOM 373 O GLY A 28 6.177 -21.786 -1.245 1.00 0.00 O ATOM 0 H GLY A 28 7.768 -20.689 2.244 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.374 -20.830 -0.037 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.436 -22.578 0.068 1.00 0.00 H new ATOM 377 N HIS A 29 5.545 -21.836 0.912 1.00 0.00 N ATOM 378 CA HIS A 29 4.119 -21.899 0.622 1.00 0.00 C ATOM 379 C HIS A 29 3.458 -20.554 0.897 1.00 0.00 C ATOM 380 O HIS A 29 3.867 -19.822 1.803 1.00 0.00 O ATOM 381 CB HIS A 29 3.441 -22.987 1.458 1.00 0.00 C ATOM 382 CG HIS A 29 3.554 -24.357 0.868 1.00 0.00 C ATOM 383 ND1 HIS A 29 4.600 -25.208 0.802 1.00 0.00 N flip ATOM 384 CD2 HIS A 29 2.501 -24.999 0.252 1.00 0.00 C flip ATOM 385 CE1 HIS A 29 4.167 -26.338 0.157 1.00 0.00 C flip ATOM 386 NE2 HIS A 29 2.896 -26.187 -0.164 1.00 0.00 N flip ATOM 0 H HIS A 29 5.771 -21.842 1.907 1.00 0.00 H new ATOM 0 HA HIS A 29 4.002 -22.144 -0.434 1.00 0.00 H new ATOM 0 HB2 HIS A 29 3.881 -22.993 2.455 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.386 -22.738 1.576 1.00 0.00 H new ATOM 0 HD1 HIS A 29 5.539 -25.041 1.165 1.00 0.00 H new ATOM 0 HD2 HIS A 29 1.508 -24.593 0.129 1.00 0.00 H new ATOM 0 HE1 HIS A 29 4.768 -27.210 -0.054 1.00 0.00 H new ATOM 394 N PRO A 30 2.438 -20.206 0.098 1.00 0.00 N ATOM 395 CA PRO A 30 1.699 -18.953 0.256 1.00 0.00 C ATOM 396 C PRO A 30 0.884 -18.924 1.549 1.00 0.00 C ATOM 397 O PRO A 30 0.160 -19.867 1.867 1.00 0.00 O ATOM 398 CB PRO A 30 0.779 -18.913 -0.969 1.00 0.00 C ATOM 399 CG PRO A 30 0.644 -20.333 -1.397 1.00 0.00 C ATOM 400 CD PRO A 30 1.940 -21.003 -1.037 1.00 0.00 C ATOM 0 HA PRO A 30 2.365 -18.093 0.321 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.191 -18.482 -0.720 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.206 -18.300 -1.763 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.196 -20.813 -0.894 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.455 -20.401 -2.468 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.788 -22.046 -0.759 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.641 -20.994 -1.871 1.00 0.00 H new ATOM 405 N HIS A 31 1.030 -17.843 2.291 1.00 0.00 N ATOM 406 CA HIS A 31 0.333 -17.653 3.551 1.00 0.00 C ATOM 407 C HIS A 31 -0.559 -16.421 3.465 1.00 0.00 C ATOM 408 O HIS A 31 -0.125 -15.361 3.013 1.00 0.00 O ATOM 409 CB HIS A 31 1.350 -17.500 4.692 1.00 0.00 C ATOM 410 CG HIS A 31 0.739 -17.205 6.032 1.00 0.00 C ATOM 411 ND1 HIS A 31 0.867 -15.985 6.662 1.00 0.00 N ATOM 412 CD2 HIS A 31 0.000 -17.979 6.865 1.00 0.00 C ATOM 413 CE1 HIS A 31 0.235 -16.021 7.820 1.00 0.00 C ATOM 414 NE2 HIS A 31 -0.297 -17.217 7.967 1.00 0.00 N ATOM 0 H HIS A 31 1.639 -17.066 2.036 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.290 -18.524 3.754 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.935 -18.417 4.767 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.044 -16.699 4.439 1.00 0.00 H new ATOM 0 HD1 HIS A 31 1.372 -15.180 6.291 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -0.299 -19.003 6.693 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.166 -15.208 8.527 1.00 0.00 H new ATOM 422 N ALA A 32 -1.800 -16.571 3.896 1.00 0.00 N ATOM 423 CA ALA A 32 -2.761 -15.480 3.867 1.00 0.00 C ATOM 424 C ALA A 32 -2.331 -14.336 4.776 1.00 0.00 C ATOM 425 O ALA A 32 -2.049 -14.535 5.958 1.00 0.00 O ATOM 426 CB ALA A 32 -4.138 -15.983 4.265 1.00 0.00 C ATOM 0 H ALA A 32 -2.168 -17.444 4.273 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.804 -15.097 2.847 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.849 -15.157 4.239 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.458 -16.758 3.568 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.097 -16.395 5.273 1.00 0.00 H new ATOM 432 N THR A 33 -2.270 -13.145 4.207 1.00 0.00 N ATOM 433 CA THR A 33 -1.884 -11.957 4.942 1.00 0.00 C ATOM 434 C THR A 33 -2.701 -10.770 4.460 1.00 0.00 C ATOM 435 O THR A 33 -3.257 -10.791 3.357 1.00 0.00 O ATOM 436 CB THR A 33 -0.372 -11.662 4.783 1.00 0.00 C ATOM 437 OG1 THR A 33 0.015 -10.552 5.607 1.00 0.00 O ATOM 438 CG2 THR A 33 -0.021 -11.362 3.333 1.00 0.00 C ATOM 0 H THR A 33 -2.486 -12.976 3.225 1.00 0.00 H new ATOM 0 HA THR A 33 -2.081 -12.130 6.000 1.00 0.00 H new ATOM 0 HB THR A 33 0.172 -12.553 5.098 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.651 -9.988 5.119 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.047 -11.159 3.252 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.275 -12.221 2.712 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.583 -10.491 2.995 1.00 0.00 H new ATOM 446 N SER A 34 -2.791 -9.749 5.288 1.00 0.00 N ATOM 447 CA SER A 34 -3.544 -8.562 4.947 1.00 0.00 C ATOM 448 C SER A 34 -2.802 -7.318 5.386 1.00 0.00 C ATOM 449 O SER A 34 -2.044 -7.353 6.352 1.00 0.00 O ATOM 450 CB SER A 34 -4.915 -8.614 5.604 1.00 0.00 C ATOM 451 OG SER A 34 -4.802 -8.822 7.003 1.00 0.00 O ATOM 0 H SER A 34 -2.349 -9.719 6.207 1.00 0.00 H new ATOM 0 HA SER A 34 -3.668 -8.525 3.865 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.449 -7.683 5.413 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.505 -9.416 5.160 1.00 0.00 H new ATOM 0 HG SER A 34 -5.696 -8.850 7.403 1.00 0.00 H new ATOM 456 N ILE A 35 -3.024 -6.230 4.671 1.00 0.00 N ATOM 457 CA ILE A 35 -2.374 -4.966 4.973 1.00 0.00 C ATOM 458 C ILE A 35 -3.380 -3.819 4.890 1.00 0.00 C ATOM 459 O ILE A 35 -4.315 -3.860 4.087 1.00 0.00 O ATOM 460 CB ILE A 35 -1.202 -4.661 4.000 1.00 0.00 C ATOM 461 CG1 ILE A 35 -0.307 -5.886 3.789 1.00 0.00 C ATOM 462 CG2 ILE A 35 -0.367 -3.499 4.516 1.00 0.00 C ATOM 463 CD1 ILE A 35 -0.668 -6.701 2.563 1.00 0.00 C ATOM 0 H ILE A 35 -3.655 -6.196 3.870 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.975 -5.054 5.983 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.642 -4.392 3.040 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.729 -5.558 3.704 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.367 -6.525 4.670 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.449 -3.300 3.821 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.993 -2.611 4.603 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.043 -3.751 5.494 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.009 -7.551 2.479 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.693 -7.060 2.654 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.580 -6.078 1.673 1.00 0.00 H new ATOM 474 N ASN A 36 -3.194 -2.801 5.719 1.00 0.00 N ATOM 475 CA ASN A 36 -4.081 -1.647 5.718 1.00 0.00 C ATOM 476 C ASN A 36 -3.419 -0.459 5.042 1.00 0.00 C ATOM 477 O ASN A 36 -2.685 0.299 5.674 1.00 0.00 O ATOM 478 CB ASN A 36 -4.501 -1.275 7.139 1.00 0.00 C ATOM 479 CG ASN A 36 -5.520 -2.234 7.713 1.00 0.00 C ATOM 480 OD1 ASN A 36 -6.292 -2.864 6.842 1.00 0.00 O flip ATOM 481 ND2 ASN A 36 -5.612 -2.411 8.925 1.00 0.00 N flip ATOM 0 H ASN A 36 -2.437 -2.751 6.401 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.974 -1.917 5.155 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -3.621 -1.258 7.782 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.915 -0.267 7.140 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.997 -1.905 9.562 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.303 -3.064 9.294 1.00 0.00 H new ATOM 487 N LEU A 37 -3.720 -0.286 3.762 1.00 0.00 N ATOM 488 CA LEU A 37 -3.154 0.797 2.963 1.00 0.00 C ATOM 489 C LEU A 37 -3.537 2.140 3.562 1.00 0.00 C ATOM 490 O LEU A 37 -2.812 3.123 3.436 1.00 0.00 O ATOM 491 CB LEU A 37 -3.655 0.743 1.508 1.00 0.00 C ATOM 492 CG LEU A 37 -3.484 -0.588 0.762 1.00 0.00 C ATOM 493 CD1 LEU A 37 -2.105 -1.181 1.005 1.00 0.00 C ATOM 494 CD2 LEU A 37 -4.579 -1.570 1.149 1.00 0.00 C ATOM 0 H LEU A 37 -4.361 -0.890 3.248 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.071 0.677 2.967 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.714 1.000 1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.137 1.518 0.942 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.574 -0.388 -0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.014 -2.123 0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.343 -0.485 0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.969 -1.360 2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.437 -2.505 0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.534 -1.761 2.221 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.552 -1.149 0.896 1.00 0.00 H new ATOM 505 N ASN A 38 -4.684 2.157 4.228 1.00 0.00 N ATOM 506 CA ASN A 38 -5.210 3.362 4.858 1.00 0.00 C ATOM 507 C ASN A 38 -4.219 3.979 5.838 1.00 0.00 C ATOM 508 O ASN A 38 -4.239 5.182 6.071 1.00 0.00 O ATOM 509 CB ASN A 38 -6.511 3.032 5.594 1.00 0.00 C ATOM 510 CG ASN A 38 -7.212 4.251 6.164 1.00 0.00 C ATOM 511 OD1 ASN A 38 -6.967 4.652 7.300 1.00 0.00 O ATOM 512 ND2 ASN A 38 -8.107 4.834 5.384 1.00 0.00 N ATOM 0 H ASN A 38 -5.277 1.336 4.347 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.394 4.090 4.068 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.187 2.522 4.908 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.294 2.336 6.404 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.623 5.647 5.719 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.281 4.470 4.447 1.00 0.00 H new ATOM 518 N TYR A 39 -3.343 3.159 6.395 1.00 0.00 N ATOM 519 CA TYR A 39 -2.373 3.643 7.364 1.00 0.00 C ATOM 520 C TYR A 39 -0.956 3.606 6.802 1.00 0.00 C ATOM 521 O TYR A 39 0.017 3.766 7.543 1.00 0.00 O ATOM 522 CB TYR A 39 -2.463 2.808 8.643 1.00 0.00 C ATOM 523 CG TYR A 39 -3.856 2.785 9.234 1.00 0.00 C ATOM 524 CD1 TYR A 39 -4.354 3.880 9.928 1.00 0.00 C ATOM 525 CD2 TYR A 39 -4.678 1.675 9.082 1.00 0.00 C ATOM 526 CE1 TYR A 39 -5.633 3.871 10.451 1.00 0.00 C ATOM 527 CE2 TYR A 39 -5.956 1.656 9.604 1.00 0.00 C ATOM 528 CZ TYR A 39 -6.429 2.757 10.287 1.00 0.00 C ATOM 529 OH TYR A 39 -7.705 2.744 10.804 1.00 0.00 O ATOM 0 H TYR A 39 -3.283 2.161 6.195 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.607 4.683 7.593 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.148 1.787 8.427 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.767 3.207 9.381 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.732 4.753 10.061 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -4.311 0.812 8.546 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -6.007 4.732 10.985 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.581 0.785 9.478 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.132 1.886 10.600 1.00 0.00 H new ATOM 538 N TYR A 40 -0.838 3.393 5.496 1.00 0.00 N ATOM 539 CA TYR A 40 0.474 3.340 4.862 1.00 0.00 C ATOM 540 C TYR A 40 0.574 4.256 3.648 1.00 0.00 C ATOM 541 O TYR A 40 1.671 4.620 3.244 1.00 0.00 O ATOM 542 CB TYR A 40 0.846 1.902 4.490 1.00 0.00 C ATOM 543 CG TYR A 40 1.010 1.004 5.697 1.00 0.00 C ATOM 544 CD1 TYR A 40 1.913 1.324 6.705 1.00 0.00 C ATOM 545 CD2 TYR A 40 0.253 -0.149 5.839 1.00 0.00 C ATOM 546 CE1 TYR A 40 2.056 0.518 7.819 1.00 0.00 C ATOM 547 CE2 TYR A 40 0.387 -0.960 6.951 1.00 0.00 C ATOM 548 CZ TYR A 40 1.289 -0.621 7.939 1.00 0.00 C ATOM 549 OH TYR A 40 1.428 -1.425 9.047 1.00 0.00 O ATOM 0 H TYR A 40 -1.625 3.256 4.862 1.00 0.00 H new ATOM 0 HA TYR A 40 1.192 3.706 5.596 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.075 1.490 3.839 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.775 1.909 3.920 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.513 2.218 6.616 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.453 -0.418 5.068 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.765 0.779 8.591 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.211 -1.854 7.046 1.00 0.00 H new ATOM 0 HH TYR A 40 0.815 -2.186 8.978 1.00 0.00 H new ATOM 558 N ILE A 41 -0.561 4.636 3.079 1.00 0.00 N ATOM 559 CA ILE A 41 -0.581 5.527 1.921 1.00 0.00 C ATOM 560 C ILE A 41 -1.240 6.852 2.295 1.00 0.00 C ATOM 561 O ILE A 41 -2.210 6.875 3.058 1.00 0.00 O ATOM 562 CB ILE A 41 -1.338 4.904 0.724 1.00 0.00 C ATOM 563 CG1 ILE A 41 -0.474 3.881 -0.014 1.00 0.00 C ATOM 564 CG2 ILE A 41 -1.813 5.977 -0.241 1.00 0.00 C ATOM 565 CD1 ILE A 41 -0.389 2.549 0.679 1.00 0.00 C ATOM 0 H ILE A 41 -1.484 4.342 3.399 1.00 0.00 H new ATOM 0 HA ILE A 41 0.454 5.692 1.620 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.209 4.388 1.128 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.877 3.734 -1.016 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.532 4.285 -0.131 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.342 5.511 -1.072 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.484 6.661 0.278 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.954 6.530 -0.622 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.240 1.876 0.097 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.042 2.682 1.671 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.388 2.123 0.772 1.00 0.00 H new ATOM 576 N GLY A 42 -0.705 7.952 1.776 1.00 0.00 N ATOM 577 CA GLY A 42 -1.264 9.253 2.079 1.00 0.00 C ATOM 578 C GLY A 42 -1.868 9.938 0.868 1.00 0.00 C ATOM 579 O GLY A 42 -1.780 9.435 -0.252 1.00 0.00 O ATOM 0 H GLY A 42 0.103 7.965 1.153 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.030 9.143 2.846 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.483 9.889 2.497 1.00 0.00 H new ATOM 583 N ASN A 43 -2.459 11.103 1.101 1.00 0.00 N ATOM 584 CA ASN A 43 -3.112 11.875 0.045 1.00 0.00 C ATOM 585 C ASN A 43 -2.412 13.216 -0.154 1.00 0.00 C ATOM 586 O ASN A 43 -2.537 14.123 0.670 1.00 0.00 O ATOM 587 CB ASN A 43 -4.588 12.092 0.400 1.00 0.00 C ATOM 588 CG ASN A 43 -5.293 13.045 -0.549 1.00 0.00 C ATOM 589 OD1 ASN A 43 -4.951 13.144 -1.725 1.00 0.00 O ATOM 590 ND2 ASN A 43 -6.283 13.760 -0.035 1.00 0.00 N ATOM 0 H ASN A 43 -2.501 11.540 2.022 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.047 11.317 -0.889 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.103 11.131 0.391 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.658 12.481 1.416 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.792 14.422 -0.621 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.536 13.648 0.947 1.00 0.00 H new ATOM 596 N ASP A 44 -1.677 13.335 -1.247 1.00 0.00 N ATOM 597 CA ASP A 44 -0.951 14.561 -1.551 1.00 0.00 C ATOM 598 C ASP A 44 -1.539 15.268 -2.767 1.00 0.00 C ATOM 599 O ASP A 44 -1.380 14.800 -3.894 1.00 0.00 O ATOM 600 CB ASP A 44 0.529 14.250 -1.789 1.00 0.00 C ATOM 601 CG ASP A 44 1.288 15.426 -2.375 1.00 0.00 C ATOM 602 OD1 ASP A 44 1.252 16.527 -1.783 1.00 0.00 O ATOM 603 OD2 ASP A 44 1.942 15.245 -3.424 1.00 0.00 O ATOM 0 H ASP A 44 -1.566 12.596 -1.942 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.046 15.229 -0.695 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.991 13.958 -0.846 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.613 13.397 -2.462 1.00 0.00 H new ATOM 607 N ASN A 45 -2.229 16.386 -2.529 1.00 0.00 N ATOM 608 CA ASN A 45 -2.838 17.184 -3.596 1.00 0.00 C ATOM 609 C ASN A 45 -3.779 16.326 -4.435 1.00 0.00 C ATOM 610 O ASN A 45 -3.809 16.430 -5.663 1.00 0.00 O ATOM 611 CB ASN A 45 -1.742 17.791 -4.477 1.00 0.00 C ATOM 612 CG ASN A 45 -2.203 18.985 -5.288 1.00 0.00 C ATOM 613 OD1 ASN A 45 -2.979 19.812 -4.818 1.00 0.00 O ATOM 614 ND2 ASN A 45 -1.720 19.086 -6.518 1.00 0.00 N ATOM 0 H ASN A 45 -2.381 16.763 -1.593 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.420 17.989 -3.147 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.906 18.093 -3.846 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.368 17.025 -5.156 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.991 19.871 -7.110 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.077 18.378 -6.873 1.00 0.00 H new ATOM 620 N GLY A 46 -4.536 15.467 -3.764 1.00 0.00 N ATOM 621 CA GLY A 46 -5.470 14.598 -4.457 1.00 0.00 C ATOM 622 C GLY A 46 -4.774 13.473 -5.202 1.00 0.00 C ATOM 623 O GLY A 46 -5.346 12.875 -6.113 1.00 0.00 O ATOM 0 H GLY A 46 -4.520 15.356 -2.750 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.170 14.174 -3.737 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.056 15.188 -5.162 1.00 0.00 H new ATOM 627 N ARG A 47 -3.540 13.189 -4.816 1.00 0.00 N ATOM 628 CA ARG A 47 -2.756 12.140 -5.451 1.00 0.00 C ATOM 629 C ARG A 47 -2.286 11.126 -4.420 1.00 0.00 C ATOM 630 O ARG A 47 -2.175 11.437 -3.233 1.00 0.00 O ATOM 631 CB ARG A 47 -1.556 12.751 -6.173 1.00 0.00 C ATOM 632 CG ARG A 47 -1.627 12.638 -7.686 1.00 0.00 C ATOM 633 CD ARG A 47 -2.925 13.206 -8.243 1.00 0.00 C ATOM 634 NE ARG A 47 -3.091 14.625 -7.923 1.00 0.00 N ATOM 635 CZ ARG A 47 -3.340 15.571 -8.827 1.00 0.00 C ATOM 636 NH1 ARG A 47 -3.422 15.268 -10.115 1.00 0.00 N ATOM 637 NH2 ARG A 47 -3.501 16.830 -8.441 1.00 0.00 N ATOM 0 H ARG A 47 -3.056 13.674 -4.060 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.385 11.626 -6.178 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.477 13.803 -5.900 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.646 12.262 -5.824 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.782 13.165 -8.128 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.536 11.591 -7.975 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.942 13.075 -9.325 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.768 12.644 -7.841 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.011 14.907 -6.946 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.294 14.303 -10.421 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.613 15.999 -10.800 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.434 17.073 -7.453 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.692 17.555 -9.133 1.00 0.00 H new ATOM 648 N LEU A 48 -1.989 9.920 -4.884 1.00 0.00 N ATOM 649 CA LEU A 48 -1.549 8.848 -4.002 1.00 0.00 C ATOM 650 C LEU A 48 -0.073 8.975 -3.677 1.00 0.00 C ATOM 651 O LEU A 48 0.785 8.904 -4.561 1.00 0.00 O ATOM 652 CB LEU A 48 -1.833 7.488 -4.643 1.00 0.00 C ATOM 653 CG LEU A 48 -3.288 7.257 -5.044 1.00 0.00 C ATOM 654 CD1 LEU A 48 -3.514 5.804 -5.421 1.00 0.00 C ATOM 655 CD2 LEU A 48 -4.217 7.668 -3.919 1.00 0.00 C ATOM 0 H LEU A 48 -2.045 9.659 -5.868 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.108 8.927 -3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.206 7.382 -5.528 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.535 6.705 -3.946 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.508 7.873 -5.916 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.557 5.659 -5.704 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.871 5.542 -6.261 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.277 5.166 -4.569 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.251 7.497 -4.220 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.996 7.077 -3.030 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.074 8.725 -3.697 1.00 0.00 H new ATOM 666 N GLU A 49 0.210 9.183 -2.404 1.00 0.00 N ATOM 667 CA GLU A 49 1.574 9.309 -1.929 1.00 0.00 C ATOM 668 C GLU A 49 1.988 8.029 -1.223 1.00 0.00 C ATOM 669 O GLU A 49 1.252 7.542 -0.362 1.00 0.00 O ATOM 670 CB GLU A 49 1.698 10.502 -0.982 1.00 0.00 C ATOM 671 CG GLU A 49 3.053 10.620 -0.304 1.00 0.00 C ATOM 672 CD GLU A 49 3.124 11.791 0.653 1.00 0.00 C ATOM 673 OE1 GLU A 49 2.320 11.839 1.609 1.00 0.00 O ATOM 674 OE2 GLU A 49 3.991 12.668 0.459 1.00 0.00 O ATOM 0 H GLU A 49 -0.497 9.269 -1.674 1.00 0.00 H new ATOM 0 HA GLU A 49 2.234 9.476 -2.780 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.503 11.417 -1.541 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.926 10.426 -0.216 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.265 9.699 0.238 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.827 10.729 -1.064 1.00 0.00 H new ATOM 679 N TYR A 50 3.141 7.485 -1.626 1.00 0.00 N ATOM 680 CA TYR A 50 3.692 6.256 -1.064 1.00 0.00 C ATOM 681 C TYR A 50 3.463 6.138 0.343 1.00 0.00 C ATOM 682 O TYR A 50 2.593 5.352 0.717 1.00 0.00 O ATOM 683 CB TYR A 50 5.164 6.022 -1.401 1.00 0.00 C ATOM 684 CG TYR A 50 5.788 7.013 -2.374 1.00 0.00 C ATOM 685 CD1 TYR A 50 6.024 8.340 -2.021 1.00 0.00 C ATOM 686 CD2 TYR A 50 6.158 6.607 -3.647 1.00 0.00 C ATOM 687 CE1 TYR A 50 6.603 9.223 -2.909 1.00 0.00 C ATOM 688 CE2 TYR A 50 6.741 7.485 -4.537 1.00 0.00 C ATOM 689 CZ TYR A 50 6.961 8.789 -4.164 1.00 0.00 C ATOM 690 OH TYR A 50 7.552 9.662 -5.045 1.00 0.00 O ATOM 0 H TYR A 50 3.721 7.893 -2.359 1.00 0.00 H new ATOM 0 HA TYR A 50 3.134 5.461 -1.559 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.737 6.043 -0.474 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.267 5.020 -1.817 1.00 0.00 H new ATOM 0 HD1 TYR A 50 5.749 8.684 -1.035 1.00 0.00 H new ATOM 0 HD2 TYR A 50 5.987 5.584 -3.948 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.774 10.249 -2.620 1.00 0.00 H new ATOM 0 HE2 TYR A 50 7.024 7.149 -5.524 1.00 0.00 H new ATOM 0 HH TYR A 50 7.743 9.198 -5.887 1.00 0.00 H new ATOM 699 N PRO A 51 4.140 6.803 1.205 1.00 0.00 N ATOM 700 CA PRO A 51 3.793 6.531 2.475 1.00 0.00 C ATOM 701 C PRO A 51 3.053 7.657 3.137 1.00 0.00 C ATOM 702 O PRO A 51 3.522 8.796 3.231 1.00 0.00 O ATOM 703 CB PRO A 51 5.108 6.257 3.054 1.00 0.00 C ATOM 704 CG PRO A 51 5.994 7.308 2.441 1.00 0.00 C ATOM 705 CD PRO A 51 5.309 7.684 1.138 1.00 0.00 C ATOM 0 HA PRO A 51 3.082 5.713 2.590 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.090 6.333 4.141 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.451 5.252 2.810 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.095 8.172 3.098 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.998 6.924 2.263 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.035 8.738 1.100 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.932 7.485 0.266 1.00 0.00 H new ATOM 710 N GLY A 52 1.910 7.315 3.603 1.00 0.00 N ATOM 711 CA GLY A 52 1.062 8.277 4.218 1.00 0.00 C ATOM 712 C GLY A 52 0.144 7.677 5.245 1.00 0.00 C ATOM 713 O GLY A 52 0.382 6.569 5.723 1.00 0.00 O ATOM 0 H GLY A 52 1.533 6.368 3.572 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.675 9.045 4.690 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.466 8.772 3.451 1.00 0.00 H new ATOM 717 N GLU A 53 -0.919 8.403 5.565 1.00 0.00 N ATOM 718 CA GLU A 53 -1.903 7.956 6.545 1.00 0.00 C ATOM 719 C GLU A 53 -3.253 8.609 6.284 1.00 0.00 C ATOM 720 O GLU A 53 -3.322 9.771 5.883 1.00 0.00 O ATOM 721 CB GLU A 53 -1.456 8.281 7.979 1.00 0.00 C ATOM 722 CG GLU A 53 -0.275 7.459 8.461 1.00 0.00 C ATOM 723 CD GLU A 53 0.091 7.739 9.903 1.00 0.00 C ATOM 724 OE1 GLU A 53 0.886 8.673 10.149 1.00 0.00 O ATOM 725 OE2 GLU A 53 -0.407 7.024 10.801 1.00 0.00 O ATOM 0 H GLU A 53 -1.124 9.314 5.155 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.993 6.875 6.442 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.197 9.338 8.037 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.296 8.122 8.655 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.507 6.400 8.350 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.587 7.665 7.826 1.00 0.00 H new ATOM 730 N SER A 54 -4.312 7.832 6.499 1.00 0.00 N ATOM 731 CA SER A 54 -5.688 8.284 6.341 1.00 0.00 C ATOM 732 C SER A 54 -5.984 8.840 4.943 1.00 0.00 C ATOM 733 O SER A 54 -6.667 9.855 4.805 1.00 0.00 O ATOM 734 CB SER A 54 -6.002 9.326 7.412 1.00 0.00 C ATOM 735 OG SER A 54 -5.603 8.862 8.694 1.00 0.00 O ATOM 0 H SER A 54 -4.235 6.858 6.792 1.00 0.00 H new ATOM 0 HA SER A 54 -6.334 7.414 6.462 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.488 10.259 7.181 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.070 9.543 7.414 1.00 0.00 H new ATOM 0 HG SER A 54 -5.810 9.543 9.367 1.00 0.00 H new ATOM 740 N PHE A 55 -5.490 8.173 3.903 1.00 0.00 N ATOM 741 CA PHE A 55 -5.751 8.625 2.542 1.00 0.00 C ATOM 742 C PHE A 55 -7.212 8.355 2.188 1.00 0.00 C ATOM 743 O PHE A 55 -7.863 9.163 1.531 1.00 0.00 O ATOM 744 CB PHE A 55 -4.820 7.941 1.525 1.00 0.00 C ATOM 745 CG PHE A 55 -5.222 6.540 1.142 1.00 0.00 C ATOM 746 CD1 PHE A 55 -4.946 5.473 1.974 1.00 0.00 C ATOM 747 CD2 PHE A 55 -5.884 6.298 -0.055 1.00 0.00 C ATOM 748 CE1 PHE A 55 -5.321 4.190 1.623 1.00 0.00 C ATOM 749 CE2 PHE A 55 -6.262 5.015 -0.408 1.00 0.00 C ATOM 750 CZ PHE A 55 -5.979 3.961 0.434 1.00 0.00 C ATOM 0 H PHE A 55 -4.917 7.332 3.975 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.553 9.696 2.495 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.779 8.552 0.623 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.811 7.914 1.938 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.432 5.643 2.908 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.106 7.121 -0.718 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -5.098 3.364 2.282 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.777 4.840 -1.341 1.00 0.00 H new ATOM 0 HZ PHE A 55 -6.272 2.958 0.162 1.00 0.00 H new ATOM 759 N GLY A 56 -7.737 7.238 2.697 1.00 0.00 N ATOM 760 CA GLY A 56 -9.113 6.840 2.420 1.00 0.00 C ATOM 761 C GLY A 56 -10.114 7.871 2.888 1.00 0.00 C ATOM 762 O GLY A 56 -11.261 7.886 2.448 1.00 0.00 O ATOM 0 H GLY A 56 -7.227 6.595 3.303 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.234 6.680 1.349 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.319 5.888 2.910 1.00 0.00 H new ATOM 766 N SER A 57 -9.660 8.735 3.781 1.00 0.00 N ATOM 767 CA SER A 57 -10.471 9.802 4.332 1.00 0.00 C ATOM 768 C SER A 57 -10.874 10.804 3.244 1.00 0.00 C ATOM 769 O SER A 57 -11.786 11.614 3.429 1.00 0.00 O ATOM 770 CB SER A 57 -9.674 10.488 5.439 1.00 0.00 C ATOM 771 OG SER A 57 -9.383 9.574 6.485 1.00 0.00 O ATOM 0 H SER A 57 -8.708 8.713 4.146 1.00 0.00 H new ATOM 0 HA SER A 57 -11.393 9.389 4.743 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.746 10.890 5.031 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.241 11.332 5.833 1.00 0.00 H new ATOM 0 HG SER A 57 -9.324 10.058 7.335 1.00 0.00 H new ATOM 776 N SER A 58 -10.181 10.758 2.111 1.00 0.00 N ATOM 777 CA SER A 58 -10.478 11.641 0.991 1.00 0.00 C ATOM 778 C SER A 58 -10.171 10.955 -0.340 1.00 0.00 C ATOM 779 O SER A 58 -9.947 11.621 -1.352 1.00 0.00 O ATOM 780 CB SER A 58 -9.677 12.942 1.115 1.00 0.00 C ATOM 781 OG SER A 58 -10.026 13.644 2.300 1.00 0.00 O ATOM 0 H SER A 58 -9.407 10.115 1.945 1.00 0.00 H new ATOM 0 HA SER A 58 -11.542 11.878 1.015 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.610 12.717 1.122 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.864 13.573 0.246 1.00 0.00 H new ATOM 0 HG SER A 58 -9.501 14.469 2.358 1.00 0.00 H new ATOM 786 N CYS A 59 -10.179 9.626 -0.337 1.00 0.00 N ATOM 787 CA CYS A 59 -9.893 8.861 -1.538 1.00 0.00 C ATOM 788 C CYS A 59 -10.959 7.803 -1.780 1.00 0.00 C ATOM 789 O CYS A 59 -11.425 7.139 -0.850 1.00 0.00 O ATOM 790 CB CYS A 59 -8.524 8.191 -1.439 1.00 0.00 C ATOM 791 SG CYS A 59 -7.133 9.348 -1.243 1.00 0.00 S ATOM 0 H CYS A 59 -10.381 9.059 0.486 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.891 9.557 -2.377 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -8.530 7.503 -0.594 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -8.360 7.593 -2.336 1.00 0.00 H new ATOM 795 N VAL A 60 -11.338 7.661 -3.036 1.00 0.00 N ATOM 796 CA VAL A 60 -12.335 6.688 -3.452 1.00 0.00 C ATOM 797 C VAL A 60 -11.825 5.936 -4.674 1.00 0.00 C ATOM 798 O VAL A 60 -10.732 6.226 -5.157 1.00 0.00 O ATOM 799 CB VAL A 60 -13.690 7.354 -3.789 1.00 0.00 C ATOM 800 CG1 VAL A 60 -14.320 7.953 -2.540 1.00 0.00 C ATOM 801 CG2 VAL A 60 -13.513 8.418 -4.862 1.00 0.00 C ATOM 0 H VAL A 60 -10.962 8.220 -3.802 1.00 0.00 H new ATOM 0 HA VAL A 60 -12.499 6.002 -2.621 1.00 0.00 H new ATOM 0 HB VAL A 60 -14.360 6.586 -4.175 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -15.272 8.416 -2.799 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -14.488 7.167 -1.804 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -13.652 8.706 -2.121 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -14.478 8.874 -5.085 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.823 9.183 -4.505 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -13.111 7.960 -5.766 1.00 0.00 H new ATOM 811 N LYS A 61 -12.608 4.977 -5.158 1.00 0.00 N ATOM 812 CA LYS A 61 -12.245 4.183 -6.336 1.00 0.00 C ATOM 813 C LYS A 61 -10.973 3.366 -6.087 1.00 0.00 C ATOM 814 O LYS A 61 -10.145 3.207 -6.982 1.00 0.00 O ATOM 815 CB LYS A 61 -12.043 5.087 -7.564 1.00 0.00 C ATOM 816 CG LYS A 61 -13.239 5.967 -7.915 1.00 0.00 C ATOM 817 CD LYS A 61 -14.463 5.142 -8.277 1.00 0.00 C ATOM 818 CE LYS A 61 -15.559 6.004 -8.885 1.00 0.00 C ATOM 819 NZ LYS A 61 -15.150 6.574 -10.198 1.00 0.00 N ATOM 0 H LYS A 61 -13.509 4.726 -4.750 1.00 0.00 H new ATOM 0 HA LYS A 61 -13.069 3.496 -6.529 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.178 5.727 -7.388 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.806 4.460 -8.424 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.474 6.614 -7.070 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -12.979 6.617 -8.751 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.180 4.361 -8.982 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -14.844 4.644 -7.385 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -16.462 5.407 -9.013 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -15.807 6.814 -8.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -15.995 6.874 -10.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -14.529 7.394 -10.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -14.639 5.852 -10.746 1.00 0.00 H new ATOM 829 N THR A 62 -10.826 2.861 -4.868 1.00 0.00 N ATOM 830 CA THR A 62 -9.659 2.067 -4.491 1.00 0.00 C ATOM 831 C THR A 62 -9.622 0.721 -5.212 1.00 0.00 C ATOM 832 O THR A 62 -10.561 -0.074 -5.108 1.00 0.00 O ATOM 833 CB THR A 62 -9.641 1.811 -2.979 1.00 0.00 C ATOM 834 OG1 THR A 62 -10.953 1.417 -2.549 1.00 0.00 O ATOM 835 CG2 THR A 62 -9.187 3.042 -2.209 1.00 0.00 C ATOM 0 H THR A 62 -11.505 2.988 -4.117 1.00 0.00 H new ATOM 0 HA THR A 62 -8.784 2.646 -4.785 1.00 0.00 H new ATOM 0 HB THR A 62 -8.928 1.013 -2.774 1.00 0.00 H new ATOM 0 HG1 THR A 62 -11.042 1.573 -1.586 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.187 2.824 -1.141 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.180 3.317 -2.523 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.868 3.869 -2.410 1.00 0.00 H new ATOM 843 N ALA A 63 -8.532 0.467 -5.925 1.00 0.00 N ATOM 844 CA ALA A 63 -8.355 -0.778 -6.659 1.00 0.00 C ATOM 845 C ALA A 63 -6.872 -1.078 -6.821 1.00 0.00 C ATOM 846 O ALA A 63 -6.055 -0.159 -6.893 1.00 0.00 O ATOM 847 CB ALA A 63 -9.038 -0.706 -8.016 1.00 0.00 C ATOM 0 H ALA A 63 -7.749 1.116 -6.010 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.818 -1.586 -6.092 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.893 -1.647 -8.547 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -10.104 -0.528 -7.878 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.607 0.109 -8.598 1.00 0.00 H new ATOM 853 N LEU A 64 -6.520 -2.350 -6.880 1.00 0.00 N ATOM 854 CA LEU A 64 -5.128 -2.738 -7.026 1.00 0.00 C ATOM 855 C LEU A 64 -4.854 -3.243 -8.438 1.00 0.00 C ATOM 856 O LEU A 64 -5.391 -4.268 -8.857 1.00 0.00 O ATOM 857 CB LEU A 64 -4.770 -3.811 -5.992 1.00 0.00 C ATOM 858 CG LEU A 64 -3.635 -3.441 -5.031 1.00 0.00 C ATOM 859 CD1 LEU A 64 -2.308 -3.409 -5.757 1.00 0.00 C ATOM 860 CD2 LEU A 64 -3.902 -2.091 -4.389 1.00 0.00 C ATOM 0 H LEU A 64 -7.176 -3.130 -6.829 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.503 -1.862 -6.853 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.660 -4.039 -5.406 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.494 -4.724 -6.520 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.590 -4.202 -4.252 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.516 -3.144 -5.056 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.102 -4.391 -6.183 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.348 -2.668 -6.556 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.086 -1.844 -3.710 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.973 -1.327 -5.164 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.838 -2.132 -3.832 1.00 0.00 H new ATOM 871 N ASN A 65 -4.020 -2.513 -9.167 1.00 0.00 N ATOM 872 CA ASN A 65 -3.667 -2.877 -10.529 1.00 0.00 C ATOM 873 C ASN A 65 -2.508 -3.850 -10.526 1.00 0.00 C ATOM 874 O ASN A 65 -1.437 -3.547 -9.985 1.00 0.00 O ATOM 875 CB ASN A 65 -3.294 -1.639 -11.351 1.00 0.00 C ATOM 876 CG ASN A 65 -4.404 -1.200 -12.289 1.00 0.00 C ATOM 877 OD1 ASN A 65 -4.481 -1.662 -13.428 1.00 0.00 O ATOM 878 ND2 ASN A 65 -5.259 -0.299 -11.830 1.00 0.00 N ATOM 0 H ASN A 65 -3.573 -1.659 -8.833 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.537 -3.349 -10.986 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.050 -0.819 -10.675 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.396 -1.851 -11.932 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -6.015 0.037 -12.426 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -5.161 0.059 -10.880 1.00 0.00 H new ATOM 884 N ASP A 66 -2.746 -5.029 -11.091 1.00 0.00 N ATOM 885 CA ASP A 66 -1.734 -6.077 -11.191 1.00 0.00 C ATOM 886 C ASP A 66 -1.206 -6.491 -9.822 1.00 0.00 C ATOM 887 O ASP A 66 -0.099 -7.012 -9.705 1.00 0.00 O ATOM 888 CB ASP A 66 -0.592 -5.631 -12.103 1.00 0.00 C ATOM 889 CG ASP A 66 -0.936 -5.764 -13.574 1.00 0.00 C ATOM 890 OD1 ASP A 66 -1.086 -6.909 -14.054 1.00 0.00 O ATOM 891 OD2 ASP A 66 -1.077 -4.724 -14.252 1.00 0.00 O ATOM 0 H ASP A 66 -3.647 -5.286 -11.493 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.210 -6.954 -11.630 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.341 -4.593 -11.884 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.295 -6.226 -11.886 1.00 0.00 H new ATOM 895 N GLY A 67 -2.016 -6.247 -8.794 1.00 0.00 N ATOM 896 CA GLY A 67 -1.661 -6.602 -7.430 1.00 0.00 C ATOM 897 C GLY A 67 -0.345 -6.014 -6.952 1.00 0.00 C ATOM 898 O GLY A 67 0.341 -6.621 -6.135 1.00 0.00 O ATOM 0 H GLY A 67 -2.929 -5.801 -8.886 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.457 -6.271 -6.762 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.610 -7.688 -7.352 1.00 0.00 H new ATOM 902 N HIS A 68 0.005 -4.826 -7.435 1.00 0.00 N ATOM 903 CA HIS A 68 1.257 -4.188 -7.016 1.00 0.00 C ATOM 904 C HIS A 68 1.131 -2.665 -7.004 1.00 0.00 C ATOM 905 O HIS A 68 1.854 -1.973 -6.287 1.00 0.00 O ATOM 906 CB HIS A 68 2.425 -4.619 -7.920 1.00 0.00 C ATOM 907 CG HIS A 68 2.456 -3.968 -9.277 1.00 0.00 C ATOM 908 ND1 HIS A 68 3.501 -3.181 -9.705 1.00 0.00 N ATOM 909 CD2 HIS A 68 1.579 -4.008 -10.306 1.00 0.00 C ATOM 910 CE1 HIS A 68 3.267 -2.768 -10.934 1.00 0.00 C ATOM 911 NE2 HIS A 68 2.107 -3.256 -11.322 1.00 0.00 N ATOM 0 H HIS A 68 -0.546 -4.290 -8.105 1.00 0.00 H new ATOM 0 HA HIS A 68 1.465 -4.519 -5.998 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.361 -4.399 -7.407 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.381 -5.700 -8.054 1.00 0.00 H new ATOM 0 HD1 HIS A 68 4.329 -2.953 -9.155 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.637 -4.535 -10.323 1.00 0.00 H new ATOM 0 HE1 HIS A 68 3.916 -2.137 -11.523 1.00 0.00 H new ATOM 919 N THR A 69 0.217 -2.152 -7.805 1.00 0.00 N ATOM 920 CA THR A 69 -0.003 -0.729 -7.908 1.00 0.00 C ATOM 921 C THR A 69 -1.389 -0.358 -7.396 1.00 0.00 C ATOM 922 O THR A 69 -2.384 -0.919 -7.834 1.00 0.00 O ATOM 923 CB THR A 69 0.137 -0.298 -9.380 1.00 0.00 C ATOM 924 OG1 THR A 69 1.509 -0.364 -9.785 1.00 0.00 O ATOM 925 CG2 THR A 69 -0.422 1.096 -9.617 1.00 0.00 C ATOM 0 H THR A 69 -0.392 -2.713 -8.401 1.00 0.00 H new ATOM 0 HA THR A 69 0.739 -0.214 -7.298 1.00 0.00 H new ATOM 0 HB THR A 69 -0.448 -0.990 -9.986 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.962 0.470 -9.542 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.304 1.362 -10.667 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.480 1.113 -9.355 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.116 1.814 -8.998 1.00 0.00 H new ATOM 933 N LEU A 70 -1.453 0.577 -6.466 1.00 0.00 N ATOM 934 CA LEU A 70 -2.739 1.012 -5.936 1.00 0.00 C ATOM 935 C LEU A 70 -3.265 2.163 -6.769 1.00 0.00 C ATOM 936 O LEU A 70 -2.536 3.094 -7.087 1.00 0.00 O ATOM 937 CB LEU A 70 -2.632 1.422 -4.460 1.00 0.00 C ATOM 938 CG LEU A 70 -3.777 2.295 -3.919 1.00 0.00 C ATOM 939 CD1 LEU A 70 -5.106 1.558 -3.969 1.00 0.00 C ATOM 940 CD2 LEU A 70 -3.480 2.742 -2.497 1.00 0.00 C ATOM 0 H LEU A 70 -0.642 1.047 -6.064 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.435 0.175 -5.991 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.574 0.517 -3.855 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.694 1.959 -4.320 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.853 3.175 -4.558 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.894 2.202 -3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.334 1.288 -5.000 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.044 0.654 -3.363 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.301 3.359 -2.131 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.369 1.867 -1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.557 3.321 -2.483 1.00 0.00 H new ATOM 951 N THR A 71 -4.521 2.076 -7.142 1.00 0.00 N ATOM 952 CA THR A 71 -5.152 3.106 -7.935 1.00 0.00 C ATOM 953 C THR A 71 -6.372 3.643 -7.203 1.00 0.00 C ATOM 954 O THR A 71 -7.202 2.869 -6.728 1.00 0.00 O ATOM 955 CB THR A 71 -5.571 2.553 -9.310 1.00 0.00 C ATOM 956 OG1 THR A 71 -5.341 1.132 -9.355 1.00 0.00 O ATOM 957 CG2 THR A 71 -4.797 3.233 -10.426 1.00 0.00 C ATOM 0 H THR A 71 -5.131 1.294 -6.906 1.00 0.00 H new ATOM 0 HA THR A 71 -4.436 3.913 -8.089 1.00 0.00 H new ATOM 0 HB THR A 71 -6.632 2.756 -9.453 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.740 0.711 -8.565 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.111 2.825 -11.387 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.994 4.305 -10.405 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.730 3.057 -10.288 1.00 0.00 H new ATOM 965 N ALA A 72 -6.457 4.959 -7.084 1.00 0.00 N ATOM 966 CA ALA A 72 -7.580 5.591 -6.414 1.00 0.00 C ATOM 967 C ALA A 72 -7.694 7.050 -6.826 1.00 0.00 C ATOM 968 O ALA A 72 -6.784 7.607 -7.436 1.00 0.00 O ATOM 969 CB ALA A 72 -7.432 5.474 -4.903 1.00 0.00 C ATOM 0 H ALA A 72 -5.759 5.610 -7.444 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.494 5.077 -6.713 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.282 5.953 -4.416 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.398 4.422 -4.621 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.510 5.964 -4.589 1.00 0.00 H new ATOM 975 N SER A 73 -8.819 7.651 -6.498 1.00 0.00 N ATOM 976 CA SER A 73 -9.075 9.042 -6.814 1.00 0.00 C ATOM 977 C SER A 73 -9.179 9.819 -5.508 1.00 0.00 C ATOM 978 O SER A 73 -10.003 9.488 -4.652 1.00 0.00 O ATOM 979 CB SER A 73 -10.367 9.161 -7.628 1.00 0.00 C ATOM 980 OG SER A 73 -10.581 10.490 -8.068 1.00 0.00 O ATOM 0 H SER A 73 -9.583 7.189 -6.004 1.00 0.00 H new ATOM 0 HA SER A 73 -8.263 9.453 -7.415 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.319 8.495 -8.489 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.212 8.837 -7.021 1.00 0.00 H new ATOM 0 HG SER A 73 -11.528 10.721 -7.963 1.00 0.00 H new ATOM 985 N CYS A 74 -8.347 10.835 -5.346 1.00 0.00 N ATOM 986 CA CYS A 74 -8.334 11.602 -4.110 1.00 0.00 C ATOM 987 C CYS A 74 -8.592 13.085 -4.327 1.00 0.00 C ATOM 988 O CYS A 74 -8.269 13.643 -5.375 1.00 0.00 O ATOM 989 CB CYS A 74 -6.988 11.429 -3.420 1.00 0.00 C ATOM 990 SG CYS A 74 -6.526 9.697 -3.140 1.00 0.00 S ATOM 0 H CYS A 74 -7.676 11.146 -6.049 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.145 11.218 -3.491 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -6.217 11.908 -4.023 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -7.012 11.948 -2.462 1.00 0.00 H new ATOM 994 N LYS A 75 -9.198 13.704 -3.323 1.00 0.00 N ATOM 995 CA LYS A 75 -9.486 15.128 -3.345 1.00 0.00 C ATOM 996 C LYS A 75 -8.435 15.882 -2.531 1.00 0.00 C ATOM 997 O LYS A 75 -8.009 15.413 -1.476 1.00 0.00 O ATOM 998 CB LYS A 75 -10.900 15.392 -2.800 1.00 0.00 C ATOM 999 CG LYS A 75 -11.176 16.852 -2.463 1.00 0.00 C ATOM 1000 CD LYS A 75 -10.923 17.139 -0.989 1.00 0.00 C ATOM 1001 CE LYS A 75 -10.702 18.617 -0.733 1.00 0.00 C ATOM 1002 NZ LYS A 75 -10.523 18.896 0.718 1.00 0.00 N ATOM 0 H LYS A 75 -9.503 13.232 -2.472 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.448 15.487 -4.373 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.630 15.056 -3.537 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.051 14.789 -1.904 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.542 17.494 -3.074 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.209 17.095 -2.711 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.772 16.791 -0.400 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.051 16.578 -0.654 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.823 18.955 -1.281 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.552 19.185 -1.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.374 19.915 0.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.373 18.595 1.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.697 18.373 1.073 1.00 0.00 H new ATOM 1012 N GLY A 76 -8.019 17.043 -3.023 1.00 0.00 N ATOM 1013 CA GLY A 76 -7.032 17.838 -2.313 1.00 0.00 C ATOM 1014 C GLY A 76 -6.390 18.877 -3.202 1.00 0.00 C ATOM 1015 O GLY A 76 -6.012 19.951 -2.744 1.00 0.00 O ATOM 0 H GLY A 76 -8.346 17.449 -3.900 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -7.507 18.331 -1.465 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.261 17.181 -1.909 1.00 0.00 H new ATOM 1019 N ALA A 77 -6.264 18.539 -4.476 1.00 0.00 N ATOM 1020 CA ALA A 77 -5.675 19.424 -5.471 1.00 0.00 C ATOM 1021 C ALA A 77 -6.325 20.803 -5.492 1.00 0.00 C ATOM 1022 O ALA A 77 -5.631 21.813 -5.595 1.00 0.00 O ATOM 1023 CB ALA A 77 -5.759 18.782 -6.843 1.00 0.00 C ATOM 0 H ALA A 77 -6.568 17.640 -4.851 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.631 19.573 -5.194 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.317 19.448 -7.584 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.217 17.836 -6.836 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.803 18.600 -7.096 1.00 0.00 H new ATOM 1029 N ASP A 78 -7.646 20.843 -5.373 1.00 0.00 N ATOM 1030 CA ASP A 78 -8.383 22.106 -5.399 1.00 0.00 C ATOM 1031 C ASP A 78 -9.854 21.853 -5.082 1.00 0.00 C ATOM 1032 O ASP A 78 -10.751 22.234 -5.834 1.00 0.00 O ATOM 1033 CB ASP A 78 -8.225 22.778 -6.772 1.00 0.00 C ATOM 1034 CG ASP A 78 -8.871 24.151 -6.852 1.00 0.00 C ATOM 1035 OD1 ASP A 78 -8.595 24.999 -5.978 1.00 0.00 O ATOM 1036 OD2 ASP A 78 -9.662 24.382 -7.792 1.00 0.00 O ATOM 0 H ASP A 78 -8.232 20.016 -5.257 1.00 0.00 H new ATOM 0 HA ASP A 78 -7.978 22.777 -4.642 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.164 22.870 -7.003 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.662 22.134 -7.535 1.00 0.00 H new ATOM 1040 N GLY A 79 -10.091 21.168 -3.970 1.00 0.00 N ATOM 1041 CA GLY A 79 -11.450 20.855 -3.559 1.00 0.00 C ATOM 1042 C GLY A 79 -12.106 19.846 -4.480 1.00 0.00 C ATOM 1043 O GLY A 79 -13.303 19.599 -4.393 1.00 0.00 O ATOM 0 H GLY A 79 -9.365 20.822 -3.343 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -11.440 20.464 -2.542 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -12.043 21.769 -3.543 1.00 0.00 H new ATOM 1047 N GLN A 80 -11.306 19.264 -5.359 1.00 0.00 N ATOM 1048 CA GLN A 80 -11.788 18.286 -6.317 1.00 0.00 C ATOM 1049 C GLN A 80 -10.880 17.067 -6.311 1.00 0.00 C ATOM 1050 O GLN A 80 -9.727 17.148 -5.870 1.00 0.00 O ATOM 1051 CB GLN A 80 -11.826 18.906 -7.716 1.00 0.00 C ATOM 1052 CG GLN A 80 -10.480 19.446 -8.176 1.00 0.00 C ATOM 1053 CD GLN A 80 -10.558 20.174 -9.501 1.00 0.00 C ATOM 1054 OE1 GLN A 80 -11.581 20.771 -9.836 1.00 0.00 O ATOM 1055 NE2 GLN A 80 -9.475 20.136 -10.261 1.00 0.00 N ATOM 0 H GLN A 80 -10.307 19.457 -5.427 1.00 0.00 H new ATOM 0 HA GLN A 80 -12.796 17.978 -6.039 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -12.171 18.156 -8.428 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -12.556 19.715 -7.727 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.088 20.124 -7.418 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.773 18.621 -8.262 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.648 19.629 -9.945 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -9.468 20.613 -11.162 1.00 0.00 H new ATOM 1062 N TYR A 81 -11.404 15.943 -6.780 1.00 0.00 N ATOM 1063 CA TYR A 81 -10.637 14.709 -6.828 1.00 0.00 C ATOM 1064 C TYR A 81 -10.109 14.445 -8.235 1.00 0.00 C ATOM 1065 O TYR A 81 -10.546 15.072 -9.204 1.00 0.00 O ATOM 1066 CB TYR A 81 -11.485 13.519 -6.352 1.00 0.00 C ATOM 1067 CG TYR A 81 -12.715 13.240 -7.195 1.00 0.00 C ATOM 1068 CD1 TYR A 81 -12.606 12.651 -8.446 1.00 0.00 C ATOM 1069 CD2 TYR A 81 -13.985 13.554 -6.729 1.00 0.00 C ATOM 1070 CE1 TYR A 81 -13.720 12.386 -9.213 1.00 0.00 C ATOM 1071 CE2 TYR A 81 -15.109 13.292 -7.491 1.00 0.00 C ATOM 1072 CZ TYR A 81 -14.971 12.708 -8.734 1.00 0.00 C ATOM 1073 OH TYR A 81 -16.085 12.441 -9.493 1.00 0.00 O ATOM 0 H TYR A 81 -12.358 15.862 -7.132 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.786 14.823 -6.156 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.860 12.626 -6.340 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -11.799 13.702 -5.324 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.628 12.395 -8.827 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -14.097 14.010 -5.756 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -13.613 11.928 -10.185 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -16.090 13.543 -7.115 1.00 0.00 H new ATOM 0 HH TYR A 81 -16.887 12.729 -9.009 1.00 0.00 H new ATOM 1082 N HIS A 82 -9.174 13.512 -8.331 1.00 0.00 N ATOM 1083 CA HIS A 82 -8.580 13.128 -9.602 1.00 0.00 C ATOM 1084 C HIS A 82 -7.981 11.736 -9.456 1.00 0.00 C ATOM 1085 O HIS A 82 -7.539 11.363 -8.370 1.00 0.00 O ATOM 1086 CB HIS A 82 -7.495 14.124 -10.024 1.00 0.00 C ATOM 1087 CG HIS A 82 -7.125 14.031 -11.475 1.00 0.00 C ATOM 1088 ND1 HIS A 82 -6.159 13.174 -11.962 1.00 0.00 N ATOM 1089 CD2 HIS A 82 -7.610 14.696 -12.553 1.00 0.00 C ATOM 1090 CE1 HIS A 82 -6.062 13.319 -13.271 1.00 0.00 C ATOM 1091 NE2 HIS A 82 -6.930 14.235 -13.654 1.00 0.00 N ATOM 0 H HIS A 82 -8.806 13.000 -7.530 1.00 0.00 H new ATOM 0 HA HIS A 82 -9.350 13.128 -10.373 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.839 15.136 -9.810 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -6.604 13.956 -9.419 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -5.606 12.529 -11.398 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -8.386 15.447 -12.547 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -5.387 12.779 -13.918 1.00 0.00 H new ATOM 1099 N ASP A 83 -7.973 10.977 -10.543 1.00 0.00 N ATOM 1100 CA ASP A 83 -7.437 9.622 -10.522 1.00 0.00 C ATOM 1101 C ASP A 83 -5.923 9.646 -10.353 1.00 0.00 C ATOM 1102 O ASP A 83 -5.234 10.498 -10.923 1.00 0.00 O ATOM 1103 CB ASP A 83 -7.804 8.874 -11.808 1.00 0.00 C ATOM 1104 CG ASP A 83 -7.010 9.347 -13.009 1.00 0.00 C ATOM 1105 OD1 ASP A 83 -7.309 10.438 -13.538 1.00 0.00 O ATOM 1106 OD2 ASP A 83 -6.076 8.630 -13.424 1.00 0.00 O ATOM 0 H ASP A 83 -8.331 11.276 -11.450 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.878 9.099 -9.673 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.634 7.807 -11.663 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.868 9.004 -12.007 1.00 0.00 H new ATOM 1110 N SER A 84 -5.417 8.732 -9.543 1.00 0.00 N ATOM 1111 CA SER A 84 -3.993 8.623 -9.292 1.00 0.00 C ATOM 1112 C SER A 84 -3.633 7.183 -8.940 1.00 0.00 C ATOM 1113 O SER A 84 -4.507 6.372 -8.630 1.00 0.00 O ATOM 1114 CB SER A 84 -3.594 9.567 -8.151 1.00 0.00 C ATOM 1115 OG SER A 84 -2.194 9.549 -7.917 1.00 0.00 O ATOM 0 H SER A 84 -5.982 8.046 -9.042 1.00 0.00 H new ATOM 0 HA SER A 84 -3.448 8.907 -10.192 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.909 10.582 -8.392 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.119 9.278 -7.240 1.00 0.00 H new ATOM 0 HG SER A 84 -1.719 9.673 -8.765 1.00 0.00 H new ATOM 1120 N SER A 85 -2.354 6.858 -9.026 1.00 0.00 N ATOM 1121 CA SER A 85 -1.889 5.524 -8.699 1.00 0.00 C ATOM 1122 C SER A 85 -0.631 5.605 -7.850 1.00 0.00 C ATOM 1123 O SER A 85 0.008 6.655 -7.764 1.00 0.00 O ATOM 1124 CB SER A 85 -1.595 4.719 -9.958 1.00 0.00 C ATOM 1125 OG SER A 85 -2.252 5.276 -11.086 1.00 0.00 O ATOM 0 H SER A 85 -1.620 7.502 -9.320 1.00 0.00 H new ATOM 0 HA SER A 85 -2.680 5.022 -8.142 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.520 4.695 -10.135 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.918 3.688 -9.818 1.00 0.00 H new ATOM 0 HG SER A 85 -2.046 4.742 -11.881 1.00 0.00 H new ATOM 1130 N MET A 86 -0.288 4.496 -7.226 1.00 0.00 N ATOM 1131 CA MET A 86 0.885 4.432 -6.388 1.00 0.00 C ATOM 1132 C MET A 86 1.492 3.036 -6.418 1.00 0.00 C ATOM 1133 O MET A 86 0.824 2.054 -6.096 1.00 0.00 O ATOM 1134 CB MET A 86 0.520 4.790 -4.949 1.00 0.00 C ATOM 1135 CG MET A 86 1.711 4.846 -4.000 1.00 0.00 C ATOM 1136 SD MET A 86 2.785 6.273 -4.299 1.00 0.00 S ATOM 1137 CE MET A 86 3.663 5.809 -5.790 1.00 0.00 C ATOM 0 H MET A 86 -0.811 3.623 -7.286 1.00 0.00 H new ATOM 0 HA MET A 86 1.615 5.145 -6.770 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.019 5.758 -4.943 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.195 4.058 -4.574 1.00 0.00 H new ATOM 0 HG2 MET A 86 1.349 4.879 -2.972 1.00 0.00 H new ATOM 0 HG3 MET A 86 2.294 3.931 -4.103 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.460 6.528 -5.982 1.00 0.00 H new ATOM 0 HE2 MET A 86 4.093 4.815 -5.665 1.00 0.00 H new ATOM 0 HE3 MET A 86 2.971 5.801 -6.632 1.00 0.00 H new ATOM 1145 N ASP A 87 2.748 2.946 -6.829 1.00 0.00 N ATOM 1146 CA ASP A 87 3.442 1.673 -6.858 1.00 0.00 C ATOM 1147 C ASP A 87 3.790 1.270 -5.434 1.00 0.00 C ATOM 1148 O ASP A 87 4.693 1.838 -4.820 1.00 0.00 O ATOM 1149 CB ASP A 87 4.716 1.762 -7.697 1.00 0.00 C ATOM 1150 CG ASP A 87 4.445 2.034 -9.161 1.00 0.00 C ATOM 1151 OD1 ASP A 87 4.119 1.081 -9.895 1.00 0.00 O ATOM 1152 OD2 ASP A 87 4.572 3.201 -9.584 1.00 0.00 O ATOM 0 H ASP A 87 3.305 3.740 -7.146 1.00 0.00 H new ATOM 0 HA ASP A 87 2.791 0.926 -7.312 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.352 2.552 -7.298 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.271 0.829 -7.604 1.00 0.00 H new ATOM 1156 N LEU A 88 3.070 0.289 -4.919 1.00 0.00 N ATOM 1157 CA LEU A 88 3.275 -0.188 -3.558 1.00 0.00 C ATOM 1158 C LEU A 88 4.525 -1.044 -3.477 1.00 0.00 C ATOM 1159 O LEU A 88 4.963 -1.423 -2.392 1.00 0.00 O ATOM 1160 CB LEU A 88 2.064 -0.993 -3.093 1.00 0.00 C ATOM 1161 CG LEU A 88 0.697 -0.383 -3.425 1.00 0.00 C ATOM 1162 CD1 LEU A 88 -0.419 -1.280 -2.914 1.00 0.00 C ATOM 1163 CD2 LEU A 88 0.571 1.016 -2.833 1.00 0.00 C ATOM 0 H LEU A 88 2.331 -0.198 -5.426 1.00 0.00 H new ATOM 0 HA LEU A 88 3.400 0.676 -2.906 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.117 -1.986 -3.539 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.131 -1.125 -2.013 1.00 0.00 H new ATOM 0 HG LEU A 88 0.611 -0.302 -4.509 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.384 -0.835 -3.157 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.343 -2.260 -3.385 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.332 -1.390 -1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.407 1.429 -3.081 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.679 0.964 -1.750 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.351 1.657 -3.244 1.00 0.00 H new ATOM 1174 N ASN A 89 5.078 -1.356 -4.642 1.00 0.00 N ATOM 1175 CA ASN A 89 6.298 -2.166 -4.743 1.00 0.00 C ATOM 1176 C ASN A 89 7.388 -1.686 -3.783 1.00 0.00 C ATOM 1177 O ASN A 89 8.178 -2.485 -3.282 1.00 0.00 O ATOM 1178 CB ASN A 89 6.840 -2.148 -6.174 1.00 0.00 C ATOM 1179 CG ASN A 89 5.970 -2.922 -7.139 1.00 0.00 C ATOM 1180 OD1 ASN A 89 5.033 -2.377 -7.715 1.00 0.00 O ATOM 1181 ND2 ASN A 89 6.285 -4.195 -7.335 1.00 0.00 N ATOM 0 H ASN A 89 4.701 -1.060 -5.542 1.00 0.00 H new ATOM 0 HA ASN A 89 6.025 -3.184 -4.466 1.00 0.00 H new ATOM 0 HB2 ASN A 89 6.922 -1.116 -6.514 1.00 0.00 H new ATOM 0 HB3 ASN A 89 7.846 -2.567 -6.182 1.00 0.00 H new ATOM 0 HD21 ASN A 89 5.740 -4.761 -7.986 1.00 0.00 H new ATOM 0 HD22 ASN A 89 7.072 -4.608 -6.835 1.00 0.00 H new ATOM 1187 N TYR A 90 7.417 -0.388 -3.508 1.00 0.00 N ATOM 1188 CA TYR A 90 8.416 0.166 -2.610 1.00 0.00 C ATOM 1189 C TYR A 90 7.774 0.831 -1.401 1.00 0.00 C ATOM 1190 O TYR A 90 8.363 1.714 -0.777 1.00 0.00 O ATOM 1191 CB TYR A 90 9.343 1.137 -3.351 1.00 0.00 C ATOM 1192 CG TYR A 90 8.668 1.976 -4.415 1.00 0.00 C ATOM 1193 CD1 TYR A 90 7.954 3.119 -4.085 1.00 0.00 C ATOM 1194 CD2 TYR A 90 8.765 1.628 -5.757 1.00 0.00 C ATOM 1195 CE1 TYR A 90 7.357 3.892 -5.062 1.00 0.00 C ATOM 1196 CE2 TYR A 90 8.167 2.393 -6.739 1.00 0.00 C ATOM 1197 CZ TYR A 90 7.465 3.524 -6.386 1.00 0.00 C ATOM 1198 OH TYR A 90 6.878 4.302 -7.360 1.00 0.00 O ATOM 0 H TYR A 90 6.764 0.295 -3.892 1.00 0.00 H new ATOM 0 HA TYR A 90 9.022 -0.661 -2.241 1.00 0.00 H new ATOM 0 HB2 TYR A 90 9.805 1.803 -2.622 1.00 0.00 H new ATOM 0 HB3 TYR A 90 10.147 0.566 -3.815 1.00 0.00 H new ATOM 0 HD1 TYR A 90 7.864 3.409 -3.049 1.00 0.00 H new ATOM 0 HD2 TYR A 90 9.318 0.744 -6.037 1.00 0.00 H new ATOM 0 HE1 TYR A 90 6.808 4.781 -4.790 1.00 0.00 H new ATOM 0 HE2 TYR A 90 8.249 2.106 -7.777 1.00 0.00 H new ATOM 0 HH TYR A 90 6.835 3.798 -8.199 1.00 0.00 H new ATOM 1207 N VAL A 91 6.551 0.414 -1.080 1.00 0.00 N ATOM 1208 CA VAL A 91 5.851 0.955 0.077 1.00 0.00 C ATOM 1209 C VAL A 91 5.359 -0.176 0.983 1.00 0.00 C ATOM 1210 O VAL A 91 5.000 0.046 2.139 1.00 0.00 O ATOM 1211 CB VAL A 91 4.684 1.905 -0.313 1.00 0.00 C ATOM 1212 CG1 VAL A 91 5.026 2.711 -1.539 1.00 0.00 C ATOM 1213 CG2 VAL A 91 3.366 1.194 -0.514 1.00 0.00 C ATOM 0 H VAL A 91 6.030 -0.291 -1.601 1.00 0.00 H new ATOM 0 HA VAL A 91 6.570 1.562 0.628 1.00 0.00 H new ATOM 0 HB VAL A 91 4.555 2.574 0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.191 3.366 -1.788 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.914 3.312 -1.343 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.221 2.038 -2.374 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.599 1.920 -0.784 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.467 0.459 -1.312 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.080 0.690 0.409 1.00 0.00 H new ATOM 1223 N VAL A 92 5.370 -1.400 0.454 1.00 0.00 N ATOM 1224 CA VAL A 92 4.942 -2.572 1.205 1.00 0.00 C ATOM 1225 C VAL A 92 5.678 -3.820 0.723 1.00 0.00 C ATOM 1226 O VAL A 92 5.824 -4.046 -0.481 1.00 0.00 O ATOM 1227 CB VAL A 92 3.412 -2.790 1.111 1.00 0.00 C ATOM 1228 CG1 VAL A 92 2.960 -2.923 -0.329 1.00 0.00 C ATOM 1229 CG2 VAL A 92 2.980 -4.001 1.925 1.00 0.00 C ATOM 0 H VAL A 92 5.674 -1.602 -0.499 1.00 0.00 H new ATOM 0 HA VAL A 92 5.191 -2.392 2.251 1.00 0.00 H new ATOM 0 HB VAL A 92 2.930 -1.908 1.532 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.881 -3.075 -0.359 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.214 -2.015 -0.875 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.459 -3.775 -0.790 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.901 -4.130 1.841 1.00 0.00 H new ATOM 0 HG22 VAL A 92 3.483 -4.891 1.547 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.247 -3.850 2.971 1.00 0.00 H new ATOM 1239 N GLY A 93 6.171 -4.609 1.664 1.00 0.00 N ATOM 1240 CA GLY A 93 6.885 -5.816 1.320 1.00 0.00 C ATOM 1241 C GLY A 93 6.347 -7.031 2.038 1.00 0.00 C ATOM 1242 O GLY A 93 5.397 -6.934 2.819 1.00 0.00 O ATOM 0 H GLY A 93 6.088 -4.432 2.665 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.823 -5.977 0.244 1.00 0.00 H new ATOM 0 HA3 GLY A 93 7.940 -5.692 1.563 1.00 0.00 H new ATOM 1246 N ASN A 94 6.959 -8.171 1.771 1.00 0.00 N ATOM 1247 CA ASN A 94 6.562 -9.430 2.383 1.00 0.00 C ATOM 1248 C ASN A 94 7.761 -10.084 3.046 1.00 0.00 C ATOM 1249 O ASN A 94 8.850 -10.120 2.471 1.00 0.00 O ATOM 1250 CB ASN A 94 5.986 -10.385 1.333 1.00 0.00 C ATOM 1251 CG ASN A 94 5.787 -11.797 1.862 1.00 0.00 C ATOM 1252 OD1 ASN A 94 5.396 -12.009 3.012 1.00 0.00 O ATOM 1253 ND2 ASN A 94 6.081 -12.779 1.025 1.00 0.00 N ATOM 0 H ASN A 94 7.744 -8.252 1.125 1.00 0.00 H new ATOM 0 HA ASN A 94 5.796 -9.219 3.130 1.00 0.00 H new ATOM 0 HB2 ASN A 94 5.030 -9.996 0.981 1.00 0.00 H new ATOM 0 HB3 ASN A 94 6.654 -10.416 0.472 1.00 0.00 H new ATOM 0 HD21 ASN A 94 5.987 -13.750 1.324 1.00 0.00 H new ATOM 0 HD22 ASN A 94 6.402 -12.565 0.081 1.00 0.00 H new ATOM 1259 N SER A 95 7.561 -10.589 4.249 1.00 0.00 N ATOM 1260 CA SER A 95 8.616 -11.258 4.976 1.00 0.00 C ATOM 1261 C SER A 95 8.014 -12.354 5.832 1.00 0.00 C ATOM 1262 O SER A 95 7.153 -12.090 6.673 1.00 0.00 O ATOM 1263 CB SER A 95 9.389 -10.271 5.846 1.00 0.00 C ATOM 1264 OG SER A 95 10.662 -10.791 6.195 1.00 0.00 O ATOM 0 H SER A 95 6.670 -10.546 4.744 1.00 0.00 H new ATOM 0 HA SER A 95 9.316 -11.694 4.263 1.00 0.00 H new ATOM 0 HB2 SER A 95 9.511 -9.328 5.313 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.820 -10.054 6.750 1.00 0.00 H new ATOM 0 HG SER A 95 10.551 -11.526 6.834 1.00 0.00 H new ATOM 1269 N TYR A 96 8.452 -13.584 5.586 1.00 0.00 N ATOM 1270 CA TYR A 96 7.971 -14.747 6.320 1.00 0.00 C ATOM 1271 C TYR A 96 6.459 -14.887 6.188 1.00 0.00 C ATOM 1272 O TYR A 96 5.763 -15.217 7.150 1.00 0.00 O ATOM 1273 CB TYR A 96 8.383 -14.654 7.792 1.00 0.00 C ATOM 1274 CG TYR A 96 9.881 -14.523 7.979 1.00 0.00 C ATOM 1275 CD1 TYR A 96 10.739 -15.564 7.648 1.00 0.00 C ATOM 1276 CD2 TYR A 96 10.435 -13.349 8.473 1.00 0.00 C ATOM 1277 CE1 TYR A 96 12.108 -15.437 7.803 1.00 0.00 C ATOM 1278 CE2 TYR A 96 11.801 -13.215 8.633 1.00 0.00 C ATOM 1279 CZ TYR A 96 12.633 -14.261 8.295 1.00 0.00 C ATOM 1280 OH TYR A 96 13.997 -14.127 8.445 1.00 0.00 O ATOM 0 H TYR A 96 9.149 -13.802 4.874 1.00 0.00 H new ATOM 0 HA TYR A 96 8.427 -15.638 5.889 1.00 0.00 H new ATOM 0 HB2 TYR A 96 7.889 -13.797 8.249 1.00 0.00 H new ATOM 0 HB3 TYR A 96 8.033 -15.542 8.319 1.00 0.00 H new ATOM 0 HD1 TYR A 96 10.331 -16.487 7.264 1.00 0.00 H new ATOM 0 HD2 TYR A 96 9.787 -12.526 8.737 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.762 -16.255 7.540 1.00 0.00 H new ATOM 0 HE2 TYR A 96 12.215 -12.296 9.021 1.00 0.00 H new ATOM 0 HH TYR A 96 14.201 -13.237 8.802 1.00 0.00 H new ATOM 1289 N GLY A 97 5.966 -14.652 4.973 1.00 0.00 N ATOM 1290 CA GLY A 97 4.546 -14.745 4.698 1.00 0.00 C ATOM 1291 C GLY A 97 3.726 -13.777 5.521 1.00 0.00 C ATOM 1292 O GLY A 97 2.564 -14.049 5.827 1.00 0.00 O ATOM 0 H GLY A 97 6.536 -14.396 4.167 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.372 -14.553 3.639 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.208 -15.762 4.897 1.00 0.00 H new ATOM 1296 N TYR A 98 4.319 -12.650 5.884 1.00 0.00 N ATOM 1297 CA TYR A 98 3.618 -11.666 6.678 1.00 0.00 C ATOM 1298 C TYR A 98 3.878 -10.273 6.133 1.00 0.00 C ATOM 1299 O TYR A 98 4.922 -10.015 5.530 1.00 0.00 O ATOM 1300 CB TYR A 98 4.047 -11.757 8.142 1.00 0.00 C ATOM 1301 CG TYR A 98 2.988 -11.247 9.094 1.00 0.00 C ATOM 1302 CD1 TYR A 98 1.893 -12.037 9.426 1.00 0.00 C ATOM 1303 CD2 TYR A 98 3.073 -9.980 9.651 1.00 0.00 C ATOM 1304 CE1 TYR A 98 0.915 -11.577 10.284 1.00 0.00 C ATOM 1305 CE2 TYR A 98 2.101 -9.513 10.513 1.00 0.00 C ATOM 1306 CZ TYR A 98 1.024 -10.314 10.826 1.00 0.00 C ATOM 1307 OH TYR A 98 0.051 -9.851 11.679 1.00 0.00 O ATOM 0 H TYR A 98 5.277 -12.400 5.641 1.00 0.00 H new ATOM 0 HA TYR A 98 2.548 -11.868 6.621 1.00 0.00 H new ATOM 0 HB2 TYR A 98 4.279 -12.794 8.385 1.00 0.00 H new ATOM 0 HB3 TYR A 98 4.963 -11.184 8.284 1.00 0.00 H new ATOM 0 HD1 TYR A 98 1.806 -13.028 9.005 1.00 0.00 H new ATOM 0 HD2 TYR A 98 3.914 -9.348 9.406 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.069 -12.202 10.529 1.00 0.00 H new ATOM 0 HE2 TYR A 98 2.184 -8.525 10.940 1.00 0.00 H new ATOM 0 HH TYR A 98 0.278 -8.944 11.973 1.00 0.00 H new ATOM 1316 N MET A 99 2.911 -9.389 6.339 1.00 0.00 N ATOM 1317 CA MET A 99 3.003 -8.017 5.866 1.00 0.00 C ATOM 1318 C MET A 99 4.177 -7.269 6.498 1.00 0.00 C ATOM 1319 O MET A 99 4.338 -7.250 7.719 1.00 0.00 O ATOM 1320 CB MET A 99 1.703 -7.254 6.154 1.00 0.00 C ATOM 1321 CG MET A 99 1.416 -7.052 7.636 1.00 0.00 C ATOM 1322 SD MET A 99 0.103 -5.855 7.938 1.00 0.00 S ATOM 1323 CE MET A 99 0.083 -5.832 9.729 1.00 0.00 C ATOM 0 H MET A 99 2.046 -9.602 6.836 1.00 0.00 H new ATOM 0 HA MET A 99 3.168 -8.067 4.790 1.00 0.00 H new ATOM 0 HB2 MET A 99 1.751 -6.279 5.668 1.00 0.00 H new ATOM 0 HB3 MET A 99 0.870 -7.794 5.704 1.00 0.00 H new ATOM 0 HG2 MET A 99 1.139 -8.008 8.081 1.00 0.00 H new ATOM 0 HG3 MET A 99 2.326 -6.720 8.135 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.681 -5.135 10.075 1.00 0.00 H new ATOM 0 HE2 MET A 99 -0.141 -6.831 10.103 1.00 0.00 H new ATOM 0 HE3 MET A 99 1.058 -5.515 10.100 1.00 0.00 H new ATOM 1331 N GLU A 100 4.996 -6.669 5.649 1.00 0.00 N ATOM 1332 CA GLU A 100 6.138 -5.880 6.088 1.00 0.00 C ATOM 1333 C GLU A 100 6.265 -4.645 5.204 1.00 0.00 C ATOM 1334 O GLU A 100 7.152 -4.557 4.357 1.00 0.00 O ATOM 1335 CB GLU A 100 7.421 -6.709 6.047 1.00 0.00 C ATOM 1336 CG GLU A 100 7.593 -7.618 7.252 1.00 0.00 C ATOM 1337 CD GLU A 100 7.939 -6.850 8.514 1.00 0.00 C ATOM 1338 OE1 GLU A 100 9.140 -6.578 8.738 1.00 0.00 O ATOM 1339 OE2 GLU A 100 7.022 -6.519 9.292 1.00 0.00 O ATOM 0 H GLU A 100 4.889 -6.715 4.636 1.00 0.00 H new ATOM 0 HA GLU A 100 5.981 -5.568 7.121 1.00 0.00 H new ATOM 0 HB2 GLU A 100 7.424 -7.315 5.141 1.00 0.00 H new ATOM 0 HB3 GLU A 100 8.277 -6.037 5.984 1.00 0.00 H new ATOM 0 HG2 GLU A 100 6.673 -8.180 7.413 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.379 -8.345 7.046 1.00 0.00 H new ATOM 1344 N PRO A 101 5.339 -3.689 5.365 1.00 0.00 N ATOM 1345 CA PRO A 101 5.330 -2.456 4.580 1.00 0.00 C ATOM 1346 C PRO A 101 6.466 -1.510 4.950 1.00 0.00 C ATOM 1347 O PRO A 101 6.408 -0.803 5.959 1.00 0.00 O ATOM 1348 CB PRO A 101 3.978 -1.827 4.912 1.00 0.00 C ATOM 1349 CG PRO A 101 3.623 -2.369 6.251 1.00 0.00 C ATOM 1350 CD PRO A 101 4.218 -3.745 6.320 1.00 0.00 C ATOM 0 HA PRO A 101 5.472 -2.657 3.518 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.042 -0.739 4.930 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.226 -2.090 4.167 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.018 -1.734 7.044 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.541 -2.406 6.381 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.561 -3.983 7.327 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.493 -4.509 6.042 1.00 0.00 H new ATOM 1355 N CYS A 102 7.503 -1.518 4.133 1.00 0.00 N ATOM 1356 CA CYS A 102 8.651 -0.657 4.342 1.00 0.00 C ATOM 1357 C CYS A 102 8.590 0.535 3.392 1.00 0.00 C ATOM 1358 O CYS A 102 8.628 0.375 2.175 1.00 0.00 O ATOM 1359 CB CYS A 102 9.949 -1.446 4.151 1.00 0.00 C ATOM 1360 SG CYS A 102 9.766 -2.953 3.136 1.00 0.00 S ATOM 0 H CYS A 102 7.573 -2.118 3.311 1.00 0.00 H new ATOM 0 HA CYS A 102 8.632 -0.281 5.365 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.691 -0.796 3.687 1.00 0.00 H new ATOM 0 HB3 CYS A 102 10.338 -1.726 5.130 1.00 0.00 H new ATOM 1364 N ARG A 103 8.471 1.728 3.958 1.00 0.00 N ATOM 1365 CA ARG A 103 8.389 2.947 3.162 1.00 0.00 C ATOM 1366 C ARG A 103 9.780 3.540 2.948 1.00 0.00 C ATOM 1367 O ARG A 103 10.662 3.386 3.789 1.00 0.00 O ATOM 1368 CB ARG A 103 7.467 3.976 3.840 1.00 0.00 C ATOM 1369 CG ARG A 103 8.132 4.818 4.927 1.00 0.00 C ATOM 1370 CD ARG A 103 8.652 3.976 6.080 1.00 0.00 C ATOM 1371 NE ARG A 103 7.571 3.351 6.847 1.00 0.00 N ATOM 1372 CZ ARG A 103 7.722 2.267 7.619 1.00 0.00 C ATOM 1373 NH1 ARG A 103 8.900 1.652 7.702 1.00 0.00 N ATOM 1374 NH2 ARG A 103 6.685 1.800 8.307 1.00 0.00 N ATOM 0 H ARG A 103 8.429 1.879 4.966 1.00 0.00 H new ATOM 0 HA ARG A 103 7.966 2.693 2.190 1.00 0.00 H new ATOM 0 HB2 ARG A 103 7.069 4.644 3.076 1.00 0.00 H new ATOM 0 HB3 ARG A 103 6.618 3.449 4.277 1.00 0.00 H new ATOM 0 HG2 ARG A 103 8.958 5.381 4.492 1.00 0.00 H new ATOM 0 HG3 ARG A 103 7.415 5.546 5.307 1.00 0.00 H new ATOM 0 HD2 ARG A 103 9.313 3.201 5.691 1.00 0.00 H new ATOM 0 HD3 ARG A 103 9.249 4.602 6.743 1.00 0.00 H new ATOM 0 HE ARG A 103 6.642 3.769 6.789 1.00 0.00 H new ATOM 0 HH11 ARG A 103 9.698 2.006 7.175 1.00 0.00 H new ATOM 0 HH12 ARG A 103 9.004 0.827 8.293 1.00 0.00 H new ATOM 0 HH21 ARG A 103 5.780 2.267 8.245 1.00 0.00 H new ATOM 0 HH22 ARG A 103 6.794 0.975 8.897 1.00 0.00 H new ATOM 1385 N ALA A 104 9.975 4.212 1.824 1.00 0.00 N ATOM 1386 CA ALA A 104 11.265 4.817 1.524 1.00 0.00 C ATOM 1387 C ALA A 104 11.116 6.263 1.069 1.00 0.00 C ATOM 1388 O ALA A 104 11.990 6.790 0.381 1.00 0.00 O ATOM 1389 CB ALA A 104 11.981 4.009 0.455 1.00 0.00 C ATOM 0 H ALA A 104 9.262 4.352 1.108 1.00 0.00 H new ATOM 0 HA ALA A 104 11.855 4.815 2.441 1.00 0.00 H new ATOM 0 HB1 ALA A 104 12.945 4.468 0.236 1.00 0.00 H new ATOM 0 HB2 ALA A 104 12.137 2.991 0.812 1.00 0.00 H new ATOM 0 HB3 ALA A 104 11.376 3.987 -0.451 1.00 0.00 H new ATOM 1395 N SER A 105 10.021 6.910 1.470 1.00 0.00 N ATOM 1396 CA SER A 105 9.765 8.300 1.067 1.00 0.00 C ATOM 1397 C SER A 105 8.704 8.953 1.954 1.00 0.00 C ATOM 1398 O SER A 105 7.793 9.617 1.460 1.00 0.00 O ATOM 1399 CB SER A 105 9.302 8.351 -0.396 1.00 0.00 C ATOM 1400 OG SER A 105 10.306 7.892 -1.283 1.00 0.00 O ATOM 0 H SER A 105 9.302 6.502 2.067 1.00 0.00 H new ATOM 0 HA SER A 105 10.698 8.852 1.179 1.00 0.00 H new ATOM 0 HB2 SER A 105 8.406 7.742 -0.515 1.00 0.00 H new ATOM 0 HB3 SER A 105 9.028 9.374 -0.655 1.00 0.00 H new ATOM 0 HG SER A 105 11.155 7.806 -0.800 1.00 0.00 H new ATOM 1405 N ASN A 106 8.831 8.780 3.264 1.00 0.00 N ATOM 1406 CA ASN A 106 7.856 9.329 4.210 1.00 0.00 C ATOM 1407 C ASN A 106 8.221 10.752 4.640 1.00 0.00 C ATOM 1408 O ASN A 106 7.756 11.238 5.668 1.00 0.00 O ATOM 1409 CB ASN A 106 7.752 8.408 5.434 1.00 0.00 C ATOM 1410 CG ASN A 106 6.551 8.701 6.321 1.00 0.00 C ATOM 1411 OD1 ASN A 106 5.447 9.136 5.726 1.00 0.00 O flip ATOM 1412 ND2 ASN A 106 6.611 8.517 7.535 1.00 0.00 N flip ATOM 0 H ASN A 106 9.597 8.265 3.699 1.00 0.00 H new ATOM 0 HA ASN A 106 6.889 9.381 3.710 1.00 0.00 H new ATOM 0 HB2 ASN A 106 7.698 7.373 5.095 1.00 0.00 H new ATOM 0 HB3 ASN A 106 8.662 8.503 6.027 1.00 0.00 H new ATOM 0 HD21 ASN A 106 7.477 8.182 7.958 1.00 0.00 H new ATOM 0 HD22 ASN A 106 5.795 8.699 8.119 1.00 0.00 H new ATOM 1418 N ALA A 107 9.044 11.422 3.846 1.00 0.00 N ATOM 1419 CA ALA A 107 9.455 12.785 4.150 1.00 0.00 C ATOM 1420 C ALA A 107 10.129 13.425 2.949 1.00 0.00 C ATOM 1421 O ALA A 107 10.495 12.734 1.998 1.00 0.00 O ATOM 1422 CB ALA A 107 10.386 12.816 5.352 1.00 0.00 C ATOM 0 H ALA A 107 9.440 11.043 2.986 1.00 0.00 H new ATOM 0 HA ALA A 107 8.560 13.357 4.392 1.00 0.00 H new ATOM 0 HB1 ALA A 107 10.679 13.845 5.559 1.00 0.00 H new ATOM 0 HB2 ALA A 107 9.873 12.403 6.220 1.00 0.00 H new ATOM 0 HB3 ALA A 107 11.275 12.222 5.139 1.00 0.00 H new ATOM 1428 N ASP A 108 10.298 14.738 3.003 1.00 0.00 N ATOM 1429 CA ASP A 108 10.928 15.476 1.916 1.00 0.00 C ATOM 1430 C ASP A 108 12.440 15.434 2.033 1.00 0.00 C ATOM 1431 O ASP A 108 13.138 14.984 1.125 1.00 0.00 O ATOM 1432 CB ASP A 108 10.459 16.933 1.905 1.00 0.00 C ATOM 1433 CG ASP A 108 9.025 17.093 1.445 1.00 0.00 C ATOM 1434 OD1 ASP A 108 8.106 16.931 2.278 1.00 0.00 O ATOM 1435 OD2 ASP A 108 8.811 17.401 0.253 1.00 0.00 O ATOM 0 H ASP A 108 10.007 15.317 3.791 1.00 0.00 H new ATOM 0 HA ASP A 108 10.633 14.998 0.982 1.00 0.00 H new ATOM 0 HB2 ASP A 108 10.561 17.349 2.907 1.00 0.00 H new ATOM 0 HB3 ASP A 108 11.111 17.513 1.252 1.00 0.00 H new ATOM 1439 N HIS A 109 12.942 15.906 3.158 1.00 0.00 N ATOM 1440 CA HIS A 109 14.377 15.933 3.395 1.00 0.00 C ATOM 1441 C HIS A 109 14.745 15.083 4.607 1.00 0.00 C ATOM 1442 O HIS A 109 15.744 14.362 4.588 1.00 0.00 O ATOM 1443 CB HIS A 109 14.857 17.374 3.592 1.00 0.00 C ATOM 1444 CG HIS A 109 16.348 17.520 3.596 1.00 0.00 C ATOM 1445 ND1 HIS A 109 17.095 17.614 2.442 1.00 0.00 N ATOM 1446 CD2 HIS A 109 17.230 17.592 4.619 1.00 0.00 C ATOM 1447 CE1 HIS A 109 18.373 17.737 2.757 1.00 0.00 C ATOM 1448 NE2 HIS A 109 18.480 17.728 4.071 1.00 0.00 N ATOM 0 H HIS A 109 12.379 16.277 3.924 1.00 0.00 H new ATOM 0 HA HIS A 109 14.874 15.513 2.520 1.00 0.00 H new ATOM 0 HB2 HIS A 109 14.443 17.997 2.799 1.00 0.00 H new ATOM 0 HB3 HIS A 109 14.462 17.753 4.534 1.00 0.00 H new ATOM 0 HD2 HIS A 109 16.994 17.550 5.672 1.00 0.00 H new ATOM 0 HE1 HIS A 109 19.190 17.829 2.057 1.00 0.00 H new ATOM 0 HE2 HIS A 109 19.351 17.809 4.595 1.00 0.00 H new ATOM 1456 N VAL A 110 13.943 15.170 5.661 1.00 0.00 N ATOM 1457 CA VAL A 110 14.195 14.397 6.874 1.00 0.00 C ATOM 1458 C VAL A 110 13.563 13.003 6.750 1.00 0.00 C ATOM 1459 O VAL A 110 12.725 12.578 7.547 1.00 0.00 O ATOM 1460 CB VAL A 110 13.699 15.150 8.138 1.00 0.00 C ATOM 1461 CG1 VAL A 110 12.200 15.392 8.085 1.00 0.00 C ATOM 1462 CG2 VAL A 110 14.096 14.415 9.412 1.00 0.00 C ATOM 0 H VAL A 110 13.116 15.765 5.702 1.00 0.00 H new ATOM 0 HA VAL A 110 15.271 14.270 6.990 1.00 0.00 H new ATOM 0 HB VAL A 110 14.189 16.124 8.153 1.00 0.00 H new ATOM 0 HG11 VAL A 110 11.885 15.921 8.984 1.00 0.00 H new ATOM 0 HG12 VAL A 110 11.959 15.992 7.208 1.00 0.00 H new ATOM 0 HG13 VAL A 110 11.679 14.436 8.025 1.00 0.00 H new ATOM 0 HG21 VAL A 110 13.734 14.968 10.279 1.00 0.00 H new ATOM 0 HG22 VAL A 110 13.657 13.417 9.408 1.00 0.00 H new ATOM 0 HG23 VAL A 110 15.182 14.333 9.461 1.00 0.00 H new ATOM 1472 N LEU A 111 13.991 12.289 5.725 1.00 0.00 N ATOM 1473 CA LEU A 111 13.480 10.958 5.455 1.00 0.00 C ATOM 1474 C LEU A 111 14.173 9.913 6.317 1.00 0.00 C ATOM 1475 O LEU A 111 15.201 9.350 5.936 1.00 0.00 O ATOM 1476 CB LEU A 111 13.639 10.613 3.974 1.00 0.00 C ATOM 1477 CG LEU A 111 13.203 9.197 3.581 1.00 0.00 C ATOM 1478 CD1 LEU A 111 11.746 8.949 3.952 1.00 0.00 C ATOM 1479 CD2 LEU A 111 13.419 8.973 2.096 1.00 0.00 C ATOM 0 H LEU A 111 14.696 12.611 5.062 1.00 0.00 H new ATOM 0 HA LEU A 111 12.419 10.952 5.706 1.00 0.00 H new ATOM 0 HB2 LEU A 111 13.063 11.329 3.387 1.00 0.00 H new ATOM 0 HB3 LEU A 111 14.685 10.743 3.698 1.00 0.00 H new ATOM 0 HG LEU A 111 13.816 8.487 4.136 1.00 0.00 H new ATOM 0 HD11 LEU A 111 11.464 7.937 3.662 1.00 0.00 H new ATOM 0 HD12 LEU A 111 11.620 9.066 5.028 1.00 0.00 H new ATOM 0 HD13 LEU A 111 11.111 9.666 3.432 1.00 0.00 H new ATOM 0 HD21 LEU A 111 13.105 7.963 1.831 1.00 0.00 H new ATOM 0 HD22 LEU A 111 12.832 9.696 1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 111 14.475 9.098 1.859 1.00 0.00 H new ATOM 1490 N LYS A 112 13.621 9.674 7.491 1.00 0.00 N ATOM 1491 CA LYS A 112 14.163 8.679 8.395 1.00 0.00 C ATOM 1492 C LYS A 112 13.232 7.490 8.500 1.00 0.00 C ATOM 1493 O LYS A 112 12.121 7.599 9.015 1.00 0.00 O ATOM 1494 CB LYS A 112 14.401 9.262 9.787 1.00 0.00 C ATOM 1495 CG LYS A 112 15.610 10.180 9.880 1.00 0.00 C ATOM 1496 CD LYS A 112 16.909 9.403 10.085 1.00 0.00 C ATOM 1497 CE LYS A 112 17.300 8.588 8.861 1.00 0.00 C ATOM 1498 NZ LYS A 112 18.631 7.948 9.027 1.00 0.00 N ATOM 0 H LYS A 112 12.794 10.158 7.842 1.00 0.00 H new ATOM 0 HA LYS A 112 15.120 8.355 7.985 1.00 0.00 H new ATOM 0 HB2 LYS A 112 13.514 9.816 10.093 1.00 0.00 H new ATOM 0 HB3 LYS A 112 14.525 8.443 10.495 1.00 0.00 H new ATOM 0 HG2 LYS A 112 15.684 10.774 8.969 1.00 0.00 H new ATOM 0 HG3 LYS A 112 15.472 10.878 10.706 1.00 0.00 H new ATOM 0 HD2 LYS A 112 17.712 10.100 10.325 1.00 0.00 H new ATOM 0 HD3 LYS A 112 16.799 8.737 10.941 1.00 0.00 H new ATOM 0 HE2 LYS A 112 16.548 7.820 8.680 1.00 0.00 H new ATOM 0 HE3 LYS A 112 17.314 9.234 7.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 18.862 7.402 8.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 19.353 8.682 9.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 18.610 7.312 9.850 1.00 0.00 H new ATOM 1508 N SER A 113 13.689 6.361 7.999 1.00 0.00 N ATOM 1509 CA SER A 113 12.926 5.133 8.058 1.00 0.00 C ATOM 1510 C SER A 113 13.373 4.360 9.291 1.00 0.00 C ATOM 1511 O SER A 113 13.482 3.132 9.287 1.00 0.00 O ATOM 1512 CB SER A 113 13.153 4.319 6.785 1.00 0.00 C ATOM 1513 OG SER A 113 12.825 5.077 5.630 1.00 0.00 O ATOM 0 H SER A 113 14.596 6.269 7.541 1.00 0.00 H new ATOM 0 HA SER A 113 11.859 5.344 8.128 1.00 0.00 H new ATOM 0 HB2 SER A 113 14.195 4.002 6.733 1.00 0.00 H new ATOM 0 HB3 SER A 113 12.546 3.414 6.815 1.00 0.00 H new ATOM 0 HG SER A 113 12.173 4.584 5.090 1.00 0.00 H new ATOM 1518 N SER A 114 13.641 5.122 10.342 1.00 0.00 N ATOM 1519 CA SER A 114 14.108 4.603 11.603 1.00 0.00 C ATOM 1520 C SER A 114 13.594 5.489 12.722 1.00 0.00 C ATOM 1521 O SER A 114 13.079 6.576 12.455 1.00 0.00 O ATOM 1522 CB SER A 114 15.640 4.587 11.610 1.00 0.00 C ATOM 1523 OG SER A 114 16.165 5.853 11.231 1.00 0.00 O ATOM 0 H SER A 114 13.535 6.136 10.334 1.00 0.00 H new ATOM 0 HA SER A 114 13.741 3.587 11.747 1.00 0.00 H new ATOM 0 HB2 SER A 114 16.000 4.323 12.604 1.00 0.00 H new ATOM 0 HB3 SER A 114 16.002 3.820 10.926 1.00 0.00 H new ATOM 0 HG SER A 114 17.144 5.818 11.245 1.00 0.00 H new ATOM 1528 N SER A 115 13.715 5.043 13.956 1.00 0.00 N ATOM 1529 CA SER A 115 13.272 5.848 15.074 1.00 0.00 C ATOM 1530 C SER A 115 14.217 7.032 15.240 1.00 0.00 C ATOM 1531 O SER A 115 13.790 8.186 15.331 1.00 0.00 O ATOM 1532 CB SER A 115 13.229 5.003 16.345 1.00 0.00 C ATOM 1533 OG SER A 115 12.425 3.848 16.161 1.00 0.00 O ATOM 0 H SER A 115 14.112 4.138 14.208 1.00 0.00 H new ATOM 0 HA SER A 115 12.265 6.221 14.885 1.00 0.00 H new ATOM 0 HB2 SER A 115 14.240 4.706 16.623 1.00 0.00 H new ATOM 0 HB3 SER A 115 12.834 5.598 17.168 1.00 0.00 H new ATOM 0 HG SER A 115 12.414 3.322 16.988 1.00 0.00 H new ATOM 1538 N GLU A 116 15.504 6.733 15.256 1.00 0.00 N ATOM 1539 CA GLU A 116 16.528 7.750 15.381 1.00 0.00 C ATOM 1540 C GLU A 116 17.088 8.085 14.004 1.00 0.00 C ATOM 1541 O GLU A 116 16.990 9.257 13.586 1.00 0.00 O ATOM 1542 CB GLU A 116 17.643 7.270 16.313 1.00 0.00 C ATOM 1543 CG GLU A 116 17.229 7.206 17.775 1.00 0.00 C ATOM 1544 CD GLU A 116 16.961 8.576 18.364 1.00 0.00 C ATOM 1545 OE1 GLU A 116 17.937 9.314 18.621 1.00 0.00 O ATOM 1546 OE2 GLU A 116 15.778 8.925 18.572 1.00 0.00 O ATOM 0 H GLU A 116 15.866 5.782 15.183 1.00 0.00 H new ATOM 0 HA GLU A 116 16.088 8.650 15.812 1.00 0.00 H new ATOM 0 HB2 GLU A 116 17.972 6.281 15.993 1.00 0.00 H new ATOM 0 HB3 GLU A 116 18.499 7.937 16.215 1.00 0.00 H new ATOM 0 HG2 GLU A 116 16.333 6.592 17.869 1.00 0.00 H new ATOM 0 HG3 GLU A 116 18.014 6.714 18.350 1.00 0.00 H new TER 1551 GLU A 116