USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 992 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 125 ASN : amide:sc= 0.536 K(o=2.6,f=-4.3) USER MOD Set 1.2: A 129 LYS NZ :NH3+ -168:sc= 2.07 (180deg=0.942) USER MOD Set 2.1: A 82 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 100 GLN : amide:sc= 0.919 K(o=0.92,f=-0.54) USER MOD Set 3.1: A 78 SER OG : rot -114:sc= 1.56 USER MOD Set 3.2: A 80 CYS SG : rot 100:sc= -0.981 USER MOD Set 4.1: A 16 GLN : amide:sc= 1.78 K(o=3.8,f=1.1) USER MOD Set 4.2: A 34 SER OG : rot -93:sc= 2.04 USER MOD Set 5.1: A 23 LYS NZ :NH3+ 163:sc= 0.27 (180deg=0) USER MOD Set 5.2: A 24 THR OG1 : rot 87:sc= 1.45 USER MOD Set 6.1: A 8 CYS SG : rot 66:sc= 0.141 USER MOD Set 6.2: A 12 SER OG : rot 100:sc= 0.566 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 135:sc= 0.00941 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 178:sc= 1.25 (180deg=1.22) USER MOD Single : A 5 MET CE :methyl -162:sc= 0 (180deg=-0.972) USER MOD Single : A 9 LYS NZ :NH3+ 165:sc= 0.928 (180deg=0.769) USER MOD Single : A 11 ASN : amide:sc= 0.73 K(o=0.73,f=-3.8!) USER MOD Single : A 13 CYS SG : rot 180:sc= 0.0979 USER MOD Single : A 15 SER OG : rot 180:sc= 0.0265 USER MOD Single : A 17 MET CE :methyl 160:sc= -0.193 (180deg=-1.2) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -170:sc= 0 USER MOD Single : A 35 CYS SG : rot 56:sc= -0.0607 USER MOD Single : A 39 SER OG : rot 180:sc= 0.00649 USER MOD Single : A 40 SER OG : rot -171:sc= 0.904 USER MOD Single : A 43 HIS : no HD1:sc= 1.66 K(o=1.7,f=-6.2!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -147:sc= -0.063 (180deg=-0.371) USER MOD Single : A 50 MET CE :methyl 164:sc= 0 (180deg=-0.149) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0.572 K(o=0.57,f=-2.7!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 1.38 K(o=1.4,f=-0.043) USER MOD Single : A 69 ASN : amide:sc= 0.927 K(o=0.93,f=-0.064) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc=-0.00234 K(o=-0.0023,f=-1.1) USER MOD Single : A 92 THR OG1 : rot -25:sc= 0.121 USER MOD Single : A 93 GLN : amide:sc= -0.0755! C(o=-0.075!,f=-6.8!) USER MOD Single : A 107 GLN : amide:sc= 0.719 K(o=0.72,f=-0.29) USER MOD Single : A 108 SER OG : rot 180:sc= 0.0453 USER MOD Single : A 114 THR OG1 : rot 70:sc= 0.499 USER MOD Single : A 118 GLN : amide:sc= 0.469 X(o=0.47,f=-0.028) USER MOD Single : A 120 LYS NZ :NH3+ -150:sc= 1.28 (180deg=1.23) USER MOD Single : A 131 SER OG : rot 160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.503 1.939 1.396 1.00 0.00 N ATOM 2 CA MET A 1 3.669 1.696 -0.075 1.00 0.00 C ATOM 3 C MET A 1 4.637 0.526 -0.340 1.00 0.00 C ATOM 4 O MET A 1 5.635 0.392 0.362 1.00 0.00 O ATOM 5 CB MET A 1 4.115 2.991 -0.812 1.00 0.00 C ATOM 6 CG MET A 1 4.267 2.835 -2.338 1.00 0.00 C ATOM 7 SD MET A 1 4.566 4.382 -3.245 1.00 0.00 S ATOM 8 CE MET A 1 2.887 5.070 -3.281 1.00 0.00 C ATOM 0 H1 MET A 1 3.560 2.960 1.588 1.00 0.00 H new ATOM 0 H2 MET A 1 2.577 1.580 1.705 1.00 0.00 H new ATOM 0 H3 MET A 1 4.257 1.446 1.916 1.00 0.00 H new ATOM 0 HA MET A 1 2.698 1.411 -0.479 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.388 3.778 -0.610 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.067 3.322 -0.396 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.091 2.150 -2.537 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.363 2.370 -2.732 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.896 6.025 -3.806 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.222 4.379 -3.798 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.533 5.220 -2.261 1.00 0.00 H new ATOM 18 N LYS A 2 4.371 -0.307 -1.366 1.00 0.00 N ATOM 19 CA LYS A 2 5.243 -1.429 -1.771 1.00 0.00 C ATOM 20 C LYS A 2 6.528 -0.939 -2.426 1.00 0.00 C ATOM 21 O LYS A 2 6.492 -0.002 -3.225 1.00 0.00 O ATOM 22 CB LYS A 2 4.520 -2.387 -2.736 1.00 0.00 C ATOM 23 CG LYS A 2 3.314 -3.128 -2.138 1.00 0.00 C ATOM 24 CD LYS A 2 2.489 -3.791 -3.258 1.00 0.00 C ATOM 25 CE LYS A 2 1.509 -2.830 -3.961 1.00 0.00 C ATOM 26 NZ LYS A 2 0.233 -2.651 -3.200 1.00 0.00 N ATOM 0 H LYS A 2 3.535 -0.219 -1.944 1.00 0.00 H new ATOM 0 HA LYS A 2 5.496 -1.965 -0.856 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.184 -1.819 -3.603 1.00 0.00 H new ATOM 0 HB3 LYS A 2 5.237 -3.124 -3.097 1.00 0.00 H new ATOM 0 HG2 LYS A 2 3.656 -3.884 -1.432 1.00 0.00 H new ATOM 0 HG3 LYS A 2 2.689 -2.430 -1.580 1.00 0.00 H new ATOM 0 HD2 LYS A 2 3.170 -4.208 -4.000 1.00 0.00 H new ATOM 0 HD3 LYS A 2 1.927 -4.625 -2.838 1.00 0.00 H new ATOM 0 HE2 LYS A 2 1.989 -1.860 -4.092 1.00 0.00 H new ATOM 0 HE3 LYS A 2 1.283 -3.211 -4.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -0.390 -1.997 -3.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.241 -3.571 -3.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.442 -2.261 -2.259 1.00 0.00 H new ATOM 40 N LYS A 3 7.634 -1.634 -2.168 1.00 0.00 N ATOM 41 CA LYS A 3 8.921 -1.425 -2.844 1.00 0.00 C ATOM 42 C LYS A 3 9.260 -2.589 -3.773 1.00 0.00 C ATOM 43 O LYS A 3 9.210 -3.751 -3.377 1.00 0.00 O ATOM 44 CB LYS A 3 9.991 -1.163 -1.777 1.00 0.00 C ATOM 45 CG LYS A 3 11.287 -0.546 -2.332 1.00 0.00 C ATOM 46 CD LYS A 3 12.307 -0.236 -1.222 1.00 0.00 C ATOM 47 CE LYS A 3 11.735 0.717 -0.155 1.00 0.00 C ATOM 48 NZ LYS A 3 12.758 1.086 0.860 1.00 0.00 N ATOM 0 H LYS A 3 7.665 -2.375 -1.468 1.00 0.00 H new ATOM 0 HA LYS A 3 8.869 -0.553 -3.495 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.579 -0.497 -1.019 1.00 0.00 H new ATOM 0 HB3 LYS A 3 10.232 -2.102 -1.279 1.00 0.00 H new ATOM 0 HG2 LYS A 3 11.734 -1.231 -3.052 1.00 0.00 H new ATOM 0 HG3 LYS A 3 11.049 0.371 -2.870 1.00 0.00 H new ATOM 0 HD2 LYS A 3 12.618 -1.166 -0.747 1.00 0.00 H new ATOM 0 HD3 LYS A 3 13.198 0.209 -1.664 1.00 0.00 H new ATOM 0 HE2 LYS A 3 11.359 1.619 -0.637 1.00 0.00 H new ATOM 0 HE3 LYS A 3 10.887 0.243 0.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 12.345 1.754 1.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 13.074 0.231 1.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 13.571 1.531 0.388 1.00 0.00 H new ATOM 62 N VAL A 4 9.601 -2.247 -5.013 1.00 0.00 N ATOM 63 CA VAL A 4 9.940 -3.163 -6.108 1.00 0.00 C ATOM 64 C VAL A 4 11.457 -3.242 -6.269 1.00 0.00 C ATOM 65 O VAL A 4 12.079 -2.238 -6.618 1.00 0.00 O ATOM 66 CB VAL A 4 9.282 -2.702 -7.425 1.00 0.00 C ATOM 67 CG1 VAL A 4 9.549 -3.704 -8.557 1.00 0.00 C ATOM 68 CG2 VAL A 4 7.759 -2.560 -7.298 1.00 0.00 C ATOM 0 H VAL A 4 9.652 -1.270 -5.300 1.00 0.00 H new ATOM 0 HA VAL A 4 9.558 -4.155 -5.866 1.00 0.00 H new ATOM 0 HB VAL A 4 9.725 -1.732 -7.650 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.073 -3.353 -9.473 1.00 0.00 H new ATOM 0 HG12 VAL A 4 10.623 -3.794 -8.717 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.140 -4.677 -8.285 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.343 -2.233 -8.251 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.326 -3.522 -7.023 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.525 -1.824 -6.529 1.00 0.00 H new ATOM 78 N MET A 5 12.058 -4.412 -6.048 1.00 0.00 N ATOM 79 CA MET A 5 13.467 -4.661 -6.391 1.00 0.00 C ATOM 80 C MET A 5 13.548 -5.306 -7.775 1.00 0.00 C ATOM 81 O MET A 5 12.955 -6.365 -7.976 1.00 0.00 O ATOM 82 CB MET A 5 14.149 -5.565 -5.351 1.00 0.00 C ATOM 83 CG MET A 5 15.634 -5.811 -5.673 1.00 0.00 C ATOM 84 SD MET A 5 16.685 -4.330 -5.667 1.00 0.00 S ATOM 85 CE MET A 5 17.256 -4.372 -3.945 1.00 0.00 C ATOM 0 H MET A 5 11.588 -5.214 -5.628 1.00 0.00 H new ATOM 0 HA MET A 5 13.991 -3.705 -6.396 1.00 0.00 H new ATOM 0 HB2 MET A 5 14.064 -5.108 -4.365 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.627 -6.521 -5.305 1.00 0.00 H new ATOM 0 HG2 MET A 5 16.033 -6.522 -4.950 1.00 0.00 H new ATOM 0 HG3 MET A 5 15.703 -6.281 -6.654 1.00 0.00 H new ATOM 0 HE1 MET A 5 17.643 -3.392 -3.666 1.00 0.00 H new ATOM 0 HE2 MET A 5 16.423 -4.633 -3.292 1.00 0.00 H new ATOM 0 HE3 MET A 5 18.045 -5.117 -3.841 1.00 0.00 H new ATOM 95 N PHE A 6 14.316 -4.727 -8.698 1.00 0.00 N ATOM 96 CA PHE A 6 14.649 -5.350 -9.983 1.00 0.00 C ATOM 97 C PHE A 6 16.045 -5.990 -9.947 1.00 0.00 C ATOM 98 O PHE A 6 17.041 -5.275 -9.847 1.00 0.00 O ATOM 99 CB PHE A 6 14.505 -4.319 -11.107 1.00 0.00 C ATOM 100 CG PHE A 6 13.065 -3.960 -11.418 1.00 0.00 C ATOM 101 CD1 PHE A 6 12.270 -4.861 -12.143 1.00 0.00 C ATOM 102 CD2 PHE A 6 12.517 -2.739 -10.991 1.00 0.00 C ATOM 103 CE1 PHE A 6 10.950 -4.524 -12.491 1.00 0.00 C ATOM 104 CE2 PHE A 6 11.189 -2.410 -11.324 1.00 0.00 C ATOM 105 CZ PHE A 6 10.415 -3.288 -12.106 1.00 0.00 C ATOM 0 H PHE A 6 14.730 -3.803 -8.575 1.00 0.00 H new ATOM 0 HA PHE A 6 13.949 -6.162 -10.181 1.00 0.00 H new ATOM 0 HB2 PHE A 6 15.045 -3.414 -10.830 1.00 0.00 H new ATOM 0 HB3 PHE A 6 14.977 -4.708 -12.009 1.00 0.00 H new ATOM 0 HD1 PHE A 6 12.674 -5.819 -12.435 1.00 0.00 H new ATOM 0 HD2 PHE A 6 13.114 -2.053 -10.408 1.00 0.00 H new ATOM 0 HE1 PHE A 6 10.347 -5.220 -13.056 1.00 0.00 H new ATOM 0 HE2 PHE A 6 10.762 -1.480 -10.978 1.00 0.00 H new ATOM 0 HZ PHE A 6 9.416 -3.011 -12.407 1.00 0.00 H new ATOM 115 N VAL A 7 16.133 -7.322 -10.038 1.00 0.00 N ATOM 116 CA VAL A 7 17.404 -8.080 -10.007 1.00 0.00 C ATOM 117 C VAL A 7 17.829 -8.577 -11.391 1.00 0.00 C ATOM 118 O VAL A 7 16.993 -8.976 -12.199 1.00 0.00 O ATOM 119 CB VAL A 7 17.420 -9.223 -8.966 1.00 0.00 C ATOM 120 CG1 VAL A 7 17.078 -8.704 -7.563 1.00 0.00 C ATOM 121 CG2 VAL A 7 16.463 -10.377 -9.279 1.00 0.00 C ATOM 0 H VAL A 7 15.313 -7.920 -10.137 1.00 0.00 H new ATOM 0 HA VAL A 7 18.151 -7.358 -9.677 1.00 0.00 H new ATOM 0 HB VAL A 7 18.439 -9.608 -9.009 1.00 0.00 H new ATOM 0 HG11 VAL A 7 17.098 -9.532 -6.854 1.00 0.00 H new ATOM 0 HG12 VAL A 7 17.810 -7.953 -7.264 1.00 0.00 H new ATOM 0 HG13 VAL A 7 16.084 -8.258 -7.572 1.00 0.00 H new ATOM 0 HG21 VAL A 7 16.538 -11.134 -8.499 1.00 0.00 H new ATOM 0 HG22 VAL A 7 15.441 -10.001 -9.322 1.00 0.00 H new ATOM 0 HG23 VAL A 7 16.728 -10.819 -10.240 1.00 0.00 H new ATOM 131 N CYS A 8 19.136 -8.588 -11.662 1.00 0.00 N ATOM 132 CA CYS A 8 19.722 -9.197 -12.866 1.00 0.00 C ATOM 133 C CYS A 8 21.093 -9.844 -12.566 1.00 0.00 C ATOM 134 O CYS A 8 21.689 -9.609 -11.512 1.00 0.00 O ATOM 135 CB CYS A 8 19.786 -8.123 -13.970 1.00 0.00 C ATOM 136 SG CYS A 8 20.132 -8.837 -15.608 1.00 0.00 S ATOM 0 H CYS A 8 19.831 -8.169 -11.044 1.00 0.00 H new ATOM 0 HA CYS A 8 19.094 -10.016 -13.217 1.00 0.00 H new ATOM 0 HB2 CYS A 8 18.840 -7.583 -14.004 1.00 0.00 H new ATOM 0 HB3 CYS A 8 20.559 -7.396 -13.722 1.00 0.00 H new ATOM 0 HG CYS A 8 19.134 -9.586 -15.975 1.00 0.00 H new ATOM 142 N LYS A 9 21.601 -10.649 -13.505 1.00 0.00 N ATOM 143 CA LYS A 9 22.974 -11.193 -13.512 1.00 0.00 C ATOM 144 C LYS A 9 24.015 -10.065 -13.668 1.00 0.00 C ATOM 145 O LYS A 9 23.676 -8.945 -14.052 1.00 0.00 O ATOM 146 CB LYS A 9 23.076 -12.258 -14.630 1.00 0.00 C ATOM 147 CG LYS A 9 22.300 -13.540 -14.268 1.00 0.00 C ATOM 148 CD LYS A 9 22.071 -14.443 -15.493 1.00 0.00 C ATOM 149 CE LYS A 9 21.459 -15.787 -15.061 1.00 0.00 C ATOM 150 NZ LYS A 9 20.917 -16.558 -16.220 1.00 0.00 N ATOM 0 H LYS A 9 21.054 -10.953 -14.310 1.00 0.00 H new ATOM 0 HA LYS A 9 23.194 -11.672 -12.558 1.00 0.00 H new ATOM 0 HB2 LYS A 9 22.686 -11.847 -15.561 1.00 0.00 H new ATOM 0 HB3 LYS A 9 24.124 -12.504 -14.804 1.00 0.00 H new ATOM 0 HG2 LYS A 9 22.850 -14.094 -13.508 1.00 0.00 H new ATOM 0 HG3 LYS A 9 21.338 -13.270 -13.832 1.00 0.00 H new ATOM 0 HD2 LYS A 9 21.408 -13.945 -16.201 1.00 0.00 H new ATOM 0 HD3 LYS A 9 23.016 -14.615 -16.008 1.00 0.00 H new ATOM 0 HE2 LYS A 9 22.217 -16.383 -14.553 1.00 0.00 H new ATOM 0 HE3 LYS A 9 20.660 -15.606 -14.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 20.750 -17.544 -15.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 20.021 -16.131 -16.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 21.602 -16.536 -17.002 1.00 0.00 H new ATOM 164 N ARG A 10 25.280 -10.348 -13.330 1.00 0.00 N ATOM 165 CA ARG A 10 26.362 -9.339 -13.234 1.00 0.00 C ATOM 166 C ARG A 10 26.604 -8.599 -14.564 1.00 0.00 C ATOM 167 O ARG A 10 26.485 -9.200 -15.634 1.00 0.00 O ATOM 168 CB ARG A 10 27.665 -10.019 -12.754 1.00 0.00 C ATOM 169 CG ARG A 10 28.575 -9.032 -12.009 1.00 0.00 C ATOM 170 CD ARG A 10 29.975 -9.593 -11.754 1.00 0.00 C ATOM 171 NE ARG A 10 30.636 -8.857 -10.661 1.00 0.00 N ATOM 172 CZ ARG A 10 31.903 -8.916 -10.296 1.00 0.00 C ATOM 173 NH1 ARG A 10 32.781 -9.632 -10.939 1.00 0.00 N ATOM 174 NH2 ARG A 10 32.308 -8.242 -9.259 1.00 0.00 N ATOM 0 H ARG A 10 25.592 -11.294 -13.111 1.00 0.00 H new ATOM 0 HA ARG A 10 26.045 -8.588 -12.510 1.00 0.00 H new ATOM 0 HB2 ARG A 10 27.420 -10.855 -12.099 1.00 0.00 H new ATOM 0 HB3 ARG A 10 28.198 -10.431 -13.611 1.00 0.00 H new ATOM 0 HG2 ARG A 10 28.657 -8.112 -12.588 1.00 0.00 H new ATOM 0 HG3 ARG A 10 28.115 -8.769 -11.057 1.00 0.00 H new ATOM 0 HD2 ARG A 10 29.908 -10.651 -11.500 1.00 0.00 H new ATOM 0 HD3 ARG A 10 30.573 -9.521 -12.662 1.00 0.00 H new ATOM 0 HE ARG A 10 30.043 -8.226 -10.122 1.00 0.00 H new ATOM 0 HH11 ARG A 10 32.498 -10.173 -11.756 1.00 0.00 H new ATOM 0 HH12 ARG A 10 33.751 -9.652 -10.625 1.00 0.00 H new ATOM 0 HH21 ARG A 10 31.647 -7.671 -8.732 1.00 0.00 H new ATOM 0 HH22 ARG A 10 33.286 -8.285 -8.973 1.00 0.00 H new ATOM 188 N ASN A 11 27.012 -7.325 -14.479 1.00 0.00 N ATOM 189 CA ASN A 11 27.468 -6.506 -15.617 1.00 0.00 C ATOM 190 C ASN A 11 26.441 -6.443 -16.775 1.00 0.00 C ATOM 191 O ASN A 11 26.774 -6.639 -17.946 1.00 0.00 O ATOM 192 CB ASN A 11 28.893 -6.976 -16.007 1.00 0.00 C ATOM 193 CG ASN A 11 29.629 -6.056 -16.975 1.00 0.00 C ATOM 194 OD1 ASN A 11 29.288 -4.900 -17.180 1.00 0.00 O ATOM 195 ND2 ASN A 11 30.700 -6.531 -17.572 1.00 0.00 N ATOM 0 H ASN A 11 27.036 -6.819 -13.593 1.00 0.00 H new ATOM 0 HA ASN A 11 27.536 -5.458 -15.326 1.00 0.00 H new ATOM 0 HB2 ASN A 11 29.488 -7.076 -15.099 1.00 0.00 H new ATOM 0 HB3 ASN A 11 28.823 -7.968 -16.453 1.00 0.00 H new ATOM 0 HD21 ASN A 11 31.240 -5.936 -18.201 1.00 0.00 H new ATOM 0 HD22 ASN A 11 30.991 -7.494 -17.406 1.00 0.00 H new ATOM 202 N SER A 12 25.174 -6.197 -16.420 1.00 0.00 N ATOM 203 CA SER A 12 24.037 -6.074 -17.348 1.00 0.00 C ATOM 204 C SER A 12 23.134 -4.894 -16.980 1.00 0.00 C ATOM 205 O SER A 12 22.912 -4.612 -15.804 1.00 0.00 O ATOM 206 CB SER A 12 23.242 -7.384 -17.368 1.00 0.00 C ATOM 207 OG SER A 12 22.274 -7.351 -18.412 1.00 0.00 O ATOM 0 H SER A 12 24.900 -6.073 -15.445 1.00 0.00 H new ATOM 0 HA SER A 12 24.429 -5.879 -18.346 1.00 0.00 H new ATOM 0 HB2 SER A 12 23.918 -8.227 -17.514 1.00 0.00 H new ATOM 0 HB3 SER A 12 22.748 -7.534 -16.408 1.00 0.00 H new ATOM 0 HG SER A 12 22.611 -7.849 -19.186 1.00 0.00 H new ATOM 213 N CYS A 13 22.584 -4.202 -17.983 1.00 0.00 N ATOM 214 CA CYS A 13 21.783 -2.984 -17.789 1.00 0.00 C ATOM 215 C CYS A 13 20.304 -3.241 -17.448 1.00 0.00 C ATOM 216 O CYS A 13 19.600 -2.314 -17.071 1.00 0.00 O ATOM 217 CB CYS A 13 21.945 -2.114 -19.048 1.00 0.00 C ATOM 218 SG CYS A 13 21.353 -3.004 -20.524 1.00 0.00 S ATOM 0 H CYS A 13 22.682 -4.472 -18.962 1.00 0.00 H new ATOM 0 HA CYS A 13 22.159 -2.464 -16.908 1.00 0.00 H new ATOM 0 HB2 CYS A 13 21.387 -1.185 -18.929 1.00 0.00 H new ATOM 0 HB3 CYS A 13 22.993 -1.842 -19.176 1.00 0.00 H new ATOM 0 HG CYS A 13 21.498 -2.250 -21.573 1.00 0.00 H new ATOM 224 N ARG A 14 19.809 -4.481 -17.554 1.00 0.00 N ATOM 225 CA ARG A 14 18.379 -4.851 -17.474 1.00 0.00 C ATOM 226 C ARG A 14 17.755 -4.593 -16.104 1.00 0.00 C ATOM 227 O ARG A 14 16.622 -4.141 -16.053 1.00 0.00 O ATOM 228 CB ARG A 14 18.232 -6.321 -17.913 1.00 0.00 C ATOM 229 CG ARG A 14 18.526 -6.520 -19.412 1.00 0.00 C ATOM 230 CD ARG A 14 18.575 -8.009 -19.781 1.00 0.00 C ATOM 231 NE ARG A 14 19.799 -8.652 -19.260 1.00 0.00 N ATOM 232 CZ ARG A 14 20.132 -9.929 -19.346 1.00 0.00 C ATOM 233 NH1 ARG A 14 19.354 -10.819 -19.890 1.00 0.00 N ATOM 234 NH2 ARG A 14 21.284 -10.321 -18.889 1.00 0.00 N ATOM 0 H ARG A 14 20.412 -5.290 -17.704 1.00 0.00 H new ATOM 0 HA ARG A 14 17.819 -4.204 -18.149 1.00 0.00 H new ATOM 0 HB2 ARG A 14 18.910 -6.942 -17.327 1.00 0.00 H new ATOM 0 HB3 ARG A 14 17.220 -6.662 -17.696 1.00 0.00 H new ATOM 0 HG2 ARG A 14 17.758 -6.022 -20.004 1.00 0.00 H new ATOM 0 HG3 ARG A 14 19.477 -6.050 -19.663 1.00 0.00 H new ATOM 0 HD2 ARG A 14 17.697 -8.514 -19.379 1.00 0.00 H new ATOM 0 HD3 ARG A 14 18.537 -8.119 -20.865 1.00 0.00 H new ATOM 0 HE ARG A 14 20.461 -8.043 -18.780 1.00 0.00 H new ATOM 0 HH11 ARG A 14 18.449 -10.541 -20.270 1.00 0.00 H new ATOM 0 HH12 ARG A 14 19.649 -11.794 -19.936 1.00 0.00 H new ATOM 0 HH21 ARG A 14 21.922 -9.646 -18.468 1.00 0.00 H new ATOM 0 HH22 ARG A 14 21.550 -11.304 -18.951 1.00 0.00 H new ATOM 248 N SER A 15 18.489 -4.773 -15.008 1.00 0.00 N ATOM 249 CA SER A 15 18.053 -4.387 -13.649 1.00 0.00 C ATOM 250 C SER A 15 17.886 -2.871 -13.531 1.00 0.00 C ATOM 251 O SER A 15 16.814 -2.380 -13.178 1.00 0.00 O ATOM 252 CB SER A 15 19.084 -4.894 -12.631 1.00 0.00 C ATOM 253 OG SER A 15 20.376 -4.550 -13.108 1.00 0.00 O ATOM 0 H SER A 15 19.417 -5.196 -15.029 1.00 0.00 H new ATOM 0 HA SER A 15 17.082 -4.840 -13.446 1.00 0.00 H new ATOM 0 HB2 SER A 15 18.907 -4.446 -11.653 1.00 0.00 H new ATOM 0 HB3 SER A 15 18.998 -5.974 -12.507 1.00 0.00 H new ATOM 0 HG SER A 15 21.053 -4.863 -12.472 1.00 0.00 H new ATOM 259 N GLN A 16 18.929 -2.123 -13.904 1.00 0.00 N ATOM 260 CA GLN A 16 18.961 -0.655 -13.856 1.00 0.00 C ATOM 261 C GLN A 16 17.919 -0.035 -14.797 1.00 0.00 C ATOM 262 O GLN A 16 17.249 0.923 -14.419 1.00 0.00 O ATOM 263 CB GLN A 16 20.382 -0.154 -14.203 1.00 0.00 C ATOM 264 CG GLN A 16 21.525 -0.692 -13.314 1.00 0.00 C ATOM 265 CD GLN A 16 21.834 0.164 -12.083 1.00 0.00 C ATOM 266 OE1 GLN A 16 22.792 0.920 -12.049 1.00 0.00 O ATOM 267 NE2 GLN A 16 21.075 0.061 -11.017 1.00 0.00 N ATOM 0 H GLN A 16 19.796 -2.529 -14.256 1.00 0.00 H new ATOM 0 HA GLN A 16 18.707 -0.340 -12.844 1.00 0.00 H new ATOM 0 HB2 GLN A 16 20.597 -0.420 -15.238 1.00 0.00 H new ATOM 0 HB3 GLN A 16 20.386 0.935 -14.147 1.00 0.00 H new ATOM 0 HG2 GLN A 16 21.268 -1.699 -12.985 1.00 0.00 H new ATOM 0 HG3 GLN A 16 22.428 -0.775 -13.918 1.00 0.00 H new ATOM 0 HE21 GLN A 16 20.269 -0.565 -11.023 1.00 0.00 H new ATOM 0 HE22 GLN A 16 21.291 0.607 -10.183 1.00 0.00 H new ATOM 276 N MET A 17 17.716 -0.603 -15.988 1.00 0.00 N ATOM 277 CA MET A 17 16.749 -0.110 -16.976 1.00 0.00 C ATOM 278 C MET A 17 15.309 -0.492 -16.621 1.00 0.00 C ATOM 279 O MET A 17 14.406 0.320 -16.817 1.00 0.00 O ATOM 280 CB MET A 17 17.154 -0.566 -18.391 1.00 0.00 C ATOM 281 CG MET A 17 16.488 0.307 -19.462 1.00 0.00 C ATOM 282 SD MET A 17 17.019 2.040 -19.349 1.00 0.00 S ATOM 283 CE MET A 17 15.431 2.913 -19.307 1.00 0.00 C ATOM 0 H MET A 17 18.225 -1.430 -16.299 1.00 0.00 H new ATOM 0 HA MET A 17 16.772 0.980 -16.959 1.00 0.00 H new ATOM 0 HB2 MET A 17 18.238 -0.515 -18.497 1.00 0.00 H new ATOM 0 HB3 MET A 17 16.868 -1.608 -18.537 1.00 0.00 H new ATOM 0 HG2 MET A 17 16.730 -0.083 -20.451 1.00 0.00 H new ATOM 0 HG3 MET A 17 15.405 0.251 -19.354 1.00 0.00 H new ATOM 0 HE1 MET A 17 15.575 3.910 -18.891 1.00 0.00 H new ATOM 0 HE2 MET A 17 15.034 2.996 -20.319 1.00 0.00 H new ATOM 0 HE3 MET A 17 14.727 2.359 -18.686 1.00 0.00 H new ATOM 293 N ALA A 18 15.089 -1.675 -16.034 1.00 0.00 N ATOM 294 CA ALA A 18 13.779 -2.015 -15.456 1.00 0.00 C ATOM 295 C ALA A 18 13.402 -1.023 -14.336 1.00 0.00 C ATOM 296 O ALA A 18 12.290 -0.496 -14.329 1.00 0.00 O ATOM 297 CB ALA A 18 13.795 -3.468 -14.977 1.00 0.00 C ATOM 0 H ALA A 18 15.793 -2.408 -15.946 1.00 0.00 H new ATOM 0 HA ALA A 18 13.005 -1.926 -16.218 1.00 0.00 H new ATOM 0 HB1 ALA A 18 12.825 -3.721 -14.549 1.00 0.00 H new ATOM 0 HB2 ALA A 18 14.002 -4.127 -15.820 1.00 0.00 H new ATOM 0 HB3 ALA A 18 14.569 -3.593 -14.220 1.00 0.00 H new ATOM 303 N GLU A 19 14.358 -0.658 -13.465 1.00 0.00 N ATOM 304 CA GLU A 19 14.163 0.443 -12.510 1.00 0.00 C ATOM 305 C GLU A 19 13.913 1.780 -13.220 1.00 0.00 C ATOM 306 O GLU A 19 12.989 2.480 -12.832 1.00 0.00 O ATOM 307 CB GLU A 19 15.325 0.525 -11.504 1.00 0.00 C ATOM 308 CG GLU A 19 15.377 1.845 -10.711 1.00 0.00 C ATOM 309 CD GLU A 19 16.489 1.862 -9.646 1.00 0.00 C ATOM 310 OE1 GLU A 19 17.538 1.203 -9.845 1.00 0.00 O ATOM 311 OE2 GLU A 19 16.326 2.564 -8.624 1.00 0.00 O ATOM 0 H GLU A 19 15.271 -1.109 -13.404 1.00 0.00 H new ATOM 0 HA GLU A 19 13.261 0.224 -11.939 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.244 -0.305 -10.802 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.266 0.398 -12.040 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.531 2.673 -11.403 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.415 2.010 -10.227 1.00 0.00 H new ATOM 318 N GLY A 20 14.661 2.119 -14.275 1.00 0.00 N ATOM 319 CA GLY A 20 14.506 3.369 -15.039 1.00 0.00 C ATOM 320 C GLY A 20 13.096 3.585 -15.583 1.00 0.00 C ATOM 321 O GLY A 20 12.504 4.639 -15.352 1.00 0.00 O ATOM 0 H GLY A 20 15.407 1.522 -14.632 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.772 4.211 -14.399 1.00 0.00 H new ATOM 0 HA3 GLY A 20 15.210 3.366 -15.871 1.00 0.00 H new ATOM 325 N PHE A 21 12.504 2.570 -16.220 1.00 0.00 N ATOM 326 CA PHE A 21 11.093 2.626 -16.639 1.00 0.00 C ATOM 327 C PHE A 21 10.144 2.662 -15.435 1.00 0.00 C ATOM 328 O PHE A 21 9.228 3.481 -15.403 1.00 0.00 O ATOM 329 CB PHE A 21 10.770 1.462 -17.602 1.00 0.00 C ATOM 330 CG PHE A 21 11.151 1.757 -19.035 1.00 0.00 C ATOM 331 CD1 PHE A 21 10.333 2.605 -19.805 1.00 0.00 C ATOM 332 CD2 PHE A 21 12.316 1.213 -19.602 1.00 0.00 C ATOM 333 CE1 PHE A 21 10.702 2.947 -21.114 1.00 0.00 C ATOM 334 CE2 PHE A 21 12.677 1.540 -20.921 1.00 0.00 C ATOM 335 CZ PHE A 21 11.877 2.423 -21.669 1.00 0.00 C ATOM 0 H PHE A 21 12.977 1.698 -16.458 1.00 0.00 H new ATOM 0 HA PHE A 21 10.935 3.559 -17.181 1.00 0.00 H new ATOM 0 HB2 PHE A 21 11.295 0.566 -17.269 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.703 1.243 -17.553 1.00 0.00 H new ATOM 0 HD1 PHE A 21 9.417 2.994 -19.386 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.935 0.543 -19.024 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.081 3.614 -21.694 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.567 1.114 -21.359 1.00 0.00 H new ATOM 0 HZ PHE A 21 12.169 2.697 -22.672 1.00 0.00 H new ATOM 345 N ALA A 22 10.373 1.834 -14.412 1.00 0.00 N ATOM 346 CA ALA A 22 9.453 1.713 -13.278 1.00 0.00 C ATOM 347 C ALA A 22 9.429 2.947 -12.367 1.00 0.00 C ATOM 348 O ALA A 22 8.356 3.348 -11.934 1.00 0.00 O ATOM 349 CB ALA A 22 9.803 0.438 -12.515 1.00 0.00 C ATOM 0 H ALA A 22 11.195 1.233 -14.346 1.00 0.00 H new ATOM 0 HA ALA A 22 8.436 1.650 -13.665 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.130 0.326 -11.665 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.698 -0.422 -13.176 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.831 0.498 -12.158 1.00 0.00 H new ATOM 355 N LYS A 23 10.564 3.607 -12.127 1.00 0.00 N ATOM 356 CA LYS A 23 10.616 4.849 -11.331 1.00 0.00 C ATOM 357 C LYS A 23 9.991 6.045 -12.063 1.00 0.00 C ATOM 358 O LYS A 23 9.488 6.953 -11.415 1.00 0.00 O ATOM 359 CB LYS A 23 12.056 5.100 -10.827 1.00 0.00 C ATOM 360 CG LYS A 23 13.089 5.521 -11.888 1.00 0.00 C ATOM 361 CD LYS A 23 13.152 7.036 -12.141 1.00 0.00 C ATOM 362 CE LYS A 23 14.171 7.359 -13.242 1.00 0.00 C ATOM 363 NZ LYS A 23 13.924 8.716 -13.812 1.00 0.00 N ATOM 0 H LYS A 23 11.473 3.302 -12.475 1.00 0.00 H new ATOM 0 HA LYS A 23 9.990 4.721 -10.448 1.00 0.00 H new ATOM 0 HB2 LYS A 23 12.019 5.874 -10.060 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.413 4.190 -10.345 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.075 5.175 -11.577 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.856 5.017 -12.826 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.167 7.403 -12.431 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.427 7.552 -11.221 1.00 0.00 H new ATOM 0 HE2 LYS A 23 15.181 7.309 -12.835 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.109 6.611 -14.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.767 9.033 -14.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.111 8.678 -14.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.721 9.385 -13.042 1.00 0.00 H new ATOM 377 N THR A 24 10.009 6.035 -13.405 1.00 0.00 N ATOM 378 CA THR A 24 9.497 7.142 -14.247 1.00 0.00 C ATOM 379 C THR A 24 8.002 6.995 -14.568 1.00 0.00 C ATOM 380 O THR A 24 7.264 7.975 -14.486 1.00 0.00 O ATOM 381 CB THR A 24 10.329 7.283 -15.530 1.00 0.00 C ATOM 382 OG1 THR A 24 11.699 7.280 -15.191 1.00 0.00 O ATOM 383 CG2 THR A 24 10.112 8.610 -16.243 1.00 0.00 C ATOM 0 H THR A 24 10.381 5.255 -13.946 1.00 0.00 H new ATOM 0 HA THR A 24 9.602 8.058 -13.666 1.00 0.00 H new ATOM 0 HB THR A 24 10.025 6.458 -16.174 1.00 0.00 H new ATOM 0 HG1 THR A 24 12.024 6.356 -15.151 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.729 8.646 -17.141 1.00 0.00 H new ATOM 0 HG22 THR A 24 9.062 8.707 -16.520 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.390 9.429 -15.580 1.00 0.00 H new ATOM 391 N LEU A 25 7.533 5.777 -14.881 1.00 0.00 N ATOM 392 CA LEU A 25 6.114 5.501 -15.206 1.00 0.00 C ATOM 393 C LEU A 25 5.291 5.103 -13.970 1.00 0.00 C ATOM 394 O LEU A 25 4.126 5.472 -13.839 1.00 0.00 O ATOM 395 CB LEU A 25 6.029 4.420 -16.300 1.00 0.00 C ATOM 396 CG LEU A 25 6.847 4.715 -17.571 1.00 0.00 C ATOM 397 CD1 LEU A 25 6.644 3.579 -18.571 1.00 0.00 C ATOM 398 CD2 LEU A 25 6.468 6.027 -18.261 1.00 0.00 C ATOM 0 H LEU A 25 8.126 4.948 -14.918 1.00 0.00 H new ATOM 0 HA LEU A 25 5.675 6.426 -15.580 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.367 3.472 -15.880 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.984 4.290 -16.581 1.00 0.00 H new ATOM 0 HG LEU A 25 7.885 4.804 -17.252 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.221 3.781 -19.474 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.979 2.641 -18.129 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.587 3.503 -18.825 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.087 6.164 -19.147 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.418 5.994 -18.553 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.628 6.858 -17.575 1.00 0.00 H new ATOM 410 N GLY A 26 5.926 4.388 -13.037 1.00 0.00 N ATOM 411 CA GLY A 26 5.409 4.080 -11.696 1.00 0.00 C ATOM 412 C GLY A 26 5.642 5.196 -10.676 1.00 0.00 C ATOM 413 O GLY A 26 5.396 4.982 -9.488 1.00 0.00 O ATOM 0 H GLY A 26 6.851 3.991 -13.199 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.340 3.881 -11.765 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.881 3.166 -11.335 1.00 0.00 H new ATOM 417 N ALA A 27 6.111 6.373 -11.116 1.00 0.00 N ATOM 418 CA ALA A 27 6.278 7.558 -10.264 1.00 0.00 C ATOM 419 C ALA A 27 5.025 7.830 -9.397 1.00 0.00 C ATOM 420 O ALA A 27 3.932 8.068 -9.918 1.00 0.00 O ATOM 421 CB ALA A 27 6.599 8.768 -11.151 1.00 0.00 C ATOM 0 H ALA A 27 6.388 6.530 -12.085 1.00 0.00 H new ATOM 0 HA ALA A 27 7.102 7.376 -9.574 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.725 9.653 -10.527 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.519 8.580 -11.704 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.781 8.932 -11.853 1.00 0.00 H new ATOM 427 N GLY A 28 5.184 7.775 -8.068 1.00 0.00 N ATOM 428 CA GLY A 28 4.098 7.994 -7.101 1.00 0.00 C ATOM 429 C GLY A 28 3.101 6.836 -6.936 1.00 0.00 C ATOM 430 O GLY A 28 2.032 7.051 -6.357 1.00 0.00 O ATOM 0 H GLY A 28 6.082 7.575 -7.628 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.541 8.207 -6.128 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.545 8.884 -7.401 1.00 0.00 H new ATOM 434 N LYS A 29 3.413 5.626 -7.435 1.00 0.00 N ATOM 435 CA LYS A 29 2.517 4.449 -7.405 1.00 0.00 C ATOM 436 C LYS A 29 3.126 3.292 -6.620 1.00 0.00 C ATOM 437 O LYS A 29 2.443 2.633 -5.839 1.00 0.00 O ATOM 438 CB LYS A 29 2.209 4.001 -8.843 1.00 0.00 C ATOM 439 CG LYS A 29 1.486 5.092 -9.653 1.00 0.00 C ATOM 440 CD LYS A 29 1.125 4.612 -11.062 1.00 0.00 C ATOM 441 CE LYS A 29 0.494 5.717 -11.932 1.00 0.00 C ATOM 442 NZ LYS A 29 -0.865 6.124 -11.472 1.00 0.00 N ATOM 0 H LYS A 29 4.311 5.432 -7.879 1.00 0.00 H new ATOM 0 HA LYS A 29 1.596 4.740 -6.900 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.139 3.735 -9.345 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.593 3.102 -8.817 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.579 5.393 -9.128 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.122 5.975 -9.722 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.023 4.239 -11.554 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.431 3.775 -10.988 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.147 6.589 -11.930 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.432 5.368 -12.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.234 6.869 -12.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.501 5.302 -11.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.808 6.486 -10.499 1.00 0.00 H new ATOM 456 N ILE A 30 4.432 3.100 -6.806 1.00 0.00 N ATOM 457 CA ILE A 30 5.290 2.179 -6.056 1.00 0.00 C ATOM 458 C ILE A 30 6.686 2.782 -5.837 1.00 0.00 C ATOM 459 O ILE A 30 7.110 3.681 -6.561 1.00 0.00 O ATOM 460 CB ILE A 30 5.382 0.786 -6.735 1.00 0.00 C ATOM 461 CG1 ILE A 30 5.237 0.725 -8.274 1.00 0.00 C ATOM 462 CG2 ILE A 30 4.362 -0.173 -6.100 1.00 0.00 C ATOM 463 CD1 ILE A 30 6.368 1.436 -9.023 1.00 0.00 C ATOM 0 H ILE A 30 4.949 3.610 -7.522 1.00 0.00 H new ATOM 0 HA ILE A 30 4.828 2.029 -5.080 1.00 0.00 H new ATOM 0 HB ILE A 30 6.415 0.490 -6.552 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.205 -0.319 -8.587 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.285 1.173 -8.559 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.432 -1.149 -6.581 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.574 -0.277 -5.036 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.356 0.226 -6.232 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.202 1.353 -10.097 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.387 2.488 -8.739 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.321 0.973 -8.767 1.00 0.00 H new ATOM 475 N ALA A 31 7.409 2.254 -4.846 1.00 0.00 N ATOM 476 CA ALA A 31 8.832 2.550 -4.635 1.00 0.00 C ATOM 477 C ALA A 31 9.685 1.573 -5.456 1.00 0.00 C ATOM 478 O ALA A 31 9.258 0.445 -5.703 1.00 0.00 O ATOM 479 CB ALA A 31 9.153 2.528 -3.133 1.00 0.00 C ATOM 0 H ALA A 31 7.022 1.604 -4.161 1.00 0.00 H new ATOM 0 HA ALA A 31 9.072 3.553 -4.987 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.210 2.748 -2.984 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.550 3.278 -2.621 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.927 1.542 -2.727 1.00 0.00 H new ATOM 485 N VAL A 32 10.883 1.971 -5.893 1.00 0.00 N ATOM 486 CA VAL A 32 11.715 1.163 -6.811 1.00 0.00 C ATOM 487 C VAL A 32 13.203 1.232 -6.467 1.00 0.00 C ATOM 488 O VAL A 32 13.727 2.303 -6.159 1.00 0.00 O ATOM 489 CB VAL A 32 11.515 1.589 -8.280 1.00 0.00 C ATOM 490 CG1 VAL A 32 12.140 0.570 -9.237 1.00 0.00 C ATOM 491 CG2 VAL A 32 10.040 1.685 -8.680 1.00 0.00 C ATOM 0 H VAL A 32 11.309 2.858 -5.626 1.00 0.00 H new ATOM 0 HA VAL A 32 11.381 0.133 -6.684 1.00 0.00 H new ATOM 0 HB VAL A 32 11.989 2.568 -8.354 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.985 0.894 -10.266 1.00 0.00 H new ATOM 0 HG12 VAL A 32 13.209 0.492 -9.038 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.672 -0.403 -9.089 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.965 1.989 -9.724 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.564 0.713 -8.550 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.540 2.421 -8.051 1.00 0.00 H new ATOM 501 N THR A 33 13.880 0.086 -6.584 1.00 0.00 N ATOM 502 CA THR A 33 15.342 -0.071 -6.516 1.00 0.00 C ATOM 503 C THR A 33 15.774 -1.171 -7.496 1.00 0.00 C ATOM 504 O THR A 33 14.955 -2.009 -7.878 1.00 0.00 O ATOM 505 CB THR A 33 15.771 -0.443 -5.085 1.00 0.00 C ATOM 506 OG1 THR A 33 15.183 0.427 -4.136 1.00 0.00 O ATOM 507 CG2 THR A 33 17.278 -0.401 -4.827 1.00 0.00 C ATOM 0 H THR A 33 13.403 -0.803 -6.736 1.00 0.00 H new ATOM 0 HA THR A 33 15.821 0.870 -6.787 1.00 0.00 H new ATOM 0 HB THR A 33 15.431 -1.473 -4.980 1.00 0.00 H new ATOM 0 HG1 THR A 33 15.589 0.275 -3.257 1.00 0.00 H new ATOM 0 HG21 THR A 33 17.478 -0.678 -3.792 1.00 0.00 H new ATOM 0 HG22 THR A 33 17.781 -1.101 -5.494 1.00 0.00 H new ATOM 0 HG23 THR A 33 17.651 0.607 -5.011 1.00 0.00 H new ATOM 515 N SER A 34 17.040 -1.209 -7.910 1.00 0.00 N ATOM 516 CA SER A 34 17.588 -2.347 -8.659 1.00 0.00 C ATOM 517 C SER A 34 18.948 -2.818 -8.142 1.00 0.00 C ATOM 518 O SER A 34 19.659 -2.100 -7.437 1.00 0.00 O ATOM 519 CB SER A 34 17.622 -2.075 -10.159 1.00 0.00 C ATOM 520 OG SER A 34 18.550 -1.069 -10.485 1.00 0.00 O ATOM 0 H SER A 34 17.712 -0.461 -7.739 1.00 0.00 H new ATOM 0 HA SER A 34 16.899 -3.173 -8.485 1.00 0.00 H new ATOM 0 HB2 SER A 34 17.878 -2.992 -10.689 1.00 0.00 H new ATOM 0 HB3 SER A 34 16.629 -1.778 -10.497 1.00 0.00 H new ATOM 0 HG SER A 34 18.096 -0.201 -10.508 1.00 0.00 H new ATOM 526 N CYS A 35 19.276 -4.069 -8.469 1.00 0.00 N ATOM 527 CA CYS A 35 20.410 -4.806 -7.923 1.00 0.00 C ATOM 528 C CYS A 35 20.986 -5.791 -8.960 1.00 0.00 C ATOM 529 O CYS A 35 20.254 -6.361 -9.771 1.00 0.00 O ATOM 530 CB CYS A 35 19.890 -5.505 -6.648 1.00 0.00 C ATOM 531 SG CYS A 35 20.992 -6.852 -6.110 1.00 0.00 S ATOM 0 H CYS A 35 18.739 -4.613 -9.145 1.00 0.00 H new ATOM 0 HA CYS A 35 21.242 -4.147 -7.674 1.00 0.00 H new ATOM 0 HB2 CYS A 35 19.795 -4.773 -5.846 1.00 0.00 H new ATOM 0 HB3 CYS A 35 18.893 -5.905 -6.835 1.00 0.00 H new ATOM 0 HG CYS A 35 22.193 -6.386 -5.935 1.00 0.00 H new ATOM 537 N GLY A 36 22.303 -6.000 -8.935 1.00 0.00 N ATOM 538 CA GLY A 36 22.980 -7.067 -9.682 1.00 0.00 C ATOM 539 C GLY A 36 23.463 -8.119 -8.688 1.00 0.00 C ATOM 540 O GLY A 36 23.961 -7.741 -7.631 1.00 0.00 O ATOM 0 H GLY A 36 22.942 -5.424 -8.387 1.00 0.00 H new ATOM 0 HA2 GLY A 36 22.299 -7.514 -10.406 1.00 0.00 H new ATOM 0 HA3 GLY A 36 23.821 -6.662 -10.244 1.00 0.00 H new ATOM 544 N LEU A 37 23.352 -9.420 -8.983 1.00 0.00 N ATOM 545 CA LEU A 37 23.695 -10.477 -8.004 1.00 0.00 C ATOM 546 C LEU A 37 25.108 -10.311 -7.408 1.00 0.00 C ATOM 547 O LEU A 37 25.279 -10.381 -6.194 1.00 0.00 O ATOM 548 CB LEU A 37 23.549 -11.875 -8.635 1.00 0.00 C ATOM 549 CG LEU A 37 22.135 -12.256 -9.113 1.00 0.00 C ATOM 550 CD1 LEU A 37 22.179 -13.680 -9.663 1.00 0.00 C ATOM 551 CD2 LEU A 37 21.075 -12.170 -8.019 1.00 0.00 C ATOM 0 H LEU A 37 23.030 -9.772 -9.885 1.00 0.00 H new ATOM 0 HA LEU A 37 22.987 -10.374 -7.182 1.00 0.00 H new ATOM 0 HB2 LEU A 37 24.228 -11.941 -9.485 1.00 0.00 H new ATOM 0 HB3 LEU A 37 23.877 -12.617 -7.907 1.00 0.00 H new ATOM 0 HG LEU A 37 21.846 -11.535 -9.878 1.00 0.00 H new ATOM 0 HD11 LEU A 37 21.186 -13.968 -10.007 1.00 0.00 H new ATOM 0 HD12 LEU A 37 22.879 -13.726 -10.497 1.00 0.00 H new ATOM 0 HD13 LEU A 37 22.504 -14.363 -8.878 1.00 0.00 H new ATOM 0 HD21 LEU A 37 20.105 -12.452 -8.429 1.00 0.00 H new ATOM 0 HD22 LEU A 37 21.336 -12.847 -7.205 1.00 0.00 H new ATOM 0 HD23 LEU A 37 21.025 -11.149 -7.640 1.00 0.00 H new ATOM 563 N GLU A 38 26.092 -9.985 -8.253 1.00 0.00 N ATOM 564 CA GLU A 38 27.466 -9.617 -7.860 1.00 0.00 C ATOM 565 C GLU A 38 27.774 -8.150 -8.240 1.00 0.00 C ATOM 566 O GLU A 38 28.870 -7.822 -8.696 1.00 0.00 O ATOM 567 CB GLU A 38 28.471 -10.636 -8.435 1.00 0.00 C ATOM 568 CG GLU A 38 28.218 -12.061 -7.937 1.00 0.00 C ATOM 569 CD GLU A 38 29.321 -13.019 -8.428 1.00 0.00 C ATOM 570 OE1 GLU A 38 29.179 -13.609 -9.526 1.00 0.00 O ATOM 571 OE2 GLU A 38 30.338 -13.195 -7.714 1.00 0.00 O ATOM 0 H GLU A 38 25.954 -9.968 -9.264 1.00 0.00 H new ATOM 0 HA GLU A 38 27.564 -9.664 -6.775 1.00 0.00 H new ATOM 0 HB2 GLU A 38 28.415 -10.621 -9.523 1.00 0.00 H new ATOM 0 HB3 GLU A 38 29.483 -10.335 -8.164 1.00 0.00 H new ATOM 0 HG2 GLU A 38 28.182 -12.069 -6.848 1.00 0.00 H new ATOM 0 HG3 GLU A 38 27.247 -12.407 -8.290 1.00 0.00 H new ATOM 578 N SER A 39 26.781 -7.269 -8.067 1.00 0.00 N ATOM 579 CA SER A 39 26.738 -5.873 -8.542 1.00 0.00 C ATOM 580 C SER A 39 26.613 -5.727 -10.070 1.00 0.00 C ATOM 581 O SER A 39 26.650 -6.699 -10.825 1.00 0.00 O ATOM 582 CB SER A 39 27.903 -5.057 -7.963 1.00 0.00 C ATOM 583 OG SER A 39 27.566 -3.681 -8.002 1.00 0.00 O ATOM 0 H SER A 39 25.933 -7.523 -7.561 1.00 0.00 H new ATOM 0 HA SER A 39 25.809 -5.452 -8.157 1.00 0.00 H new ATOM 0 HB2 SER A 39 28.106 -5.366 -6.938 1.00 0.00 H new ATOM 0 HB3 SER A 39 28.812 -5.239 -8.537 1.00 0.00 H new ATOM 0 HG SER A 39 28.304 -3.153 -7.632 1.00 0.00 H new ATOM 589 N SER A 40 26.388 -4.497 -10.531 1.00 0.00 N ATOM 590 CA SER A 40 26.343 -4.091 -11.947 1.00 0.00 C ATOM 591 C SER A 40 26.612 -2.571 -12.072 1.00 0.00 C ATOM 592 O SER A 40 27.018 -1.935 -11.096 1.00 0.00 O ATOM 593 CB SER A 40 24.985 -4.473 -12.552 1.00 0.00 C ATOM 594 OG SER A 40 25.099 -4.421 -13.961 1.00 0.00 O ATOM 0 H SER A 40 26.223 -3.713 -9.900 1.00 0.00 H new ATOM 0 HA SER A 40 27.121 -4.614 -12.503 1.00 0.00 H new ATOM 0 HB2 SER A 40 24.693 -5.473 -12.231 1.00 0.00 H new ATOM 0 HB3 SER A 40 24.209 -3.789 -12.208 1.00 0.00 H new ATOM 0 HG SER A 40 24.212 -4.526 -14.365 1.00 0.00 H new ATOM 600 N ARG A 41 26.395 -1.971 -13.255 1.00 0.00 N ATOM 601 CA ARG A 41 26.629 -0.529 -13.519 1.00 0.00 C ATOM 602 C ARG A 41 25.599 0.112 -14.467 1.00 0.00 C ATOM 603 O ARG A 41 24.847 -0.590 -15.138 1.00 0.00 O ATOM 604 CB ARG A 41 28.108 -0.320 -13.939 1.00 0.00 C ATOM 605 CG ARG A 41 28.560 -0.643 -15.381 1.00 0.00 C ATOM 606 CD ARG A 41 27.866 -1.831 -16.064 1.00 0.00 C ATOM 607 NE ARG A 41 28.484 -2.194 -17.354 1.00 0.00 N ATOM 608 CZ ARG A 41 28.378 -1.596 -18.529 1.00 0.00 C ATOM 609 NH1 ARG A 41 27.801 -0.440 -18.695 1.00 0.00 N ATOM 610 NH2 ARG A 41 28.861 -2.168 -19.593 1.00 0.00 N ATOM 0 H ARG A 41 26.047 -2.476 -14.070 1.00 0.00 H new ATOM 0 HA ARG A 41 26.463 0.021 -12.592 1.00 0.00 H new ATOM 0 HB2 ARG A 41 28.353 0.725 -13.750 1.00 0.00 H new ATOM 0 HB3 ARG A 41 28.723 -0.918 -13.266 1.00 0.00 H new ATOM 0 HG2 ARG A 41 28.403 0.244 -15.995 1.00 0.00 H new ATOM 0 HG3 ARG A 41 29.633 -0.835 -15.368 1.00 0.00 H new ATOM 0 HD2 ARG A 41 27.894 -2.693 -15.398 1.00 0.00 H new ATOM 0 HD3 ARG A 41 26.816 -1.588 -16.226 1.00 0.00 H new ATOM 0 HE ARG A 41 29.077 -3.024 -17.337 1.00 0.00 H new ATOM 0 HH11 ARG A 41 27.402 0.051 -17.895 1.00 0.00 H new ATOM 0 HH12 ARG A 41 27.748 -0.025 -19.625 1.00 0.00 H new ATOM 0 HH21 ARG A 41 29.320 -3.076 -19.520 1.00 0.00 H new ATOM 0 HH22 ARG A 41 28.780 -1.709 -20.500 1.00 0.00 H new ATOM 624 N VAL A 42 25.594 1.444 -14.550 1.00 0.00 N ATOM 625 CA VAL A 42 24.828 2.218 -15.557 1.00 0.00 C ATOM 626 C VAL A 42 25.520 2.087 -16.930 1.00 0.00 C ATOM 627 O VAL A 42 26.646 1.599 -17.020 1.00 0.00 O ATOM 628 CB VAL A 42 24.647 3.687 -15.088 1.00 0.00 C ATOM 629 CG1 VAL A 42 23.765 4.551 -16.003 1.00 0.00 C ATOM 630 CG2 VAL A 42 23.977 3.743 -13.708 1.00 0.00 C ATOM 0 H VAL A 42 26.128 2.035 -13.913 1.00 0.00 H new ATOM 0 HA VAL A 42 23.821 1.815 -15.665 1.00 0.00 H new ATOM 0 HB VAL A 42 25.663 4.082 -15.090 1.00 0.00 H new ATOM 0 HG11 VAL A 42 23.696 5.560 -15.596 1.00 0.00 H new ATOM 0 HG12 VAL A 42 24.205 4.591 -17.000 1.00 0.00 H new ATOM 0 HG13 VAL A 42 22.768 4.116 -16.064 1.00 0.00 H new ATOM 0 HG21 VAL A 42 23.861 4.783 -13.402 1.00 0.00 H new ATOM 0 HG22 VAL A 42 22.997 3.269 -13.760 1.00 0.00 H new ATOM 0 HG23 VAL A 42 24.596 3.217 -12.981 1.00 0.00 H new ATOM 640 N HIS A 43 24.860 2.473 -18.026 1.00 0.00 N ATOM 641 CA HIS A 43 25.432 2.402 -19.383 1.00 0.00 C ATOM 642 C HIS A 43 25.100 3.660 -20.205 1.00 0.00 C ATOM 643 O HIS A 43 23.915 3.967 -20.328 1.00 0.00 O ATOM 644 CB HIS A 43 24.913 1.122 -20.063 1.00 0.00 C ATOM 645 CG HIS A 43 25.665 0.792 -21.321 1.00 0.00 C ATOM 646 ND1 HIS A 43 27.049 0.631 -21.379 1.00 0.00 N ATOM 647 CD2 HIS A 43 25.130 0.573 -22.557 1.00 0.00 C ATOM 648 CE1 HIS A 43 27.326 0.315 -22.656 1.00 0.00 C ATOM 649 NE2 HIS A 43 26.195 0.267 -23.379 1.00 0.00 N ATOM 0 H HIS A 43 23.911 2.845 -18.002 1.00 0.00 H new ATOM 0 HA HIS A 43 26.519 2.363 -19.319 1.00 0.00 H new ATOM 0 HB2 HIS A 43 24.992 0.287 -19.367 1.00 0.00 H new ATOM 0 HB3 HIS A 43 23.855 1.242 -20.297 1.00 0.00 H new ATOM 0 HD2 HIS A 43 24.088 0.628 -22.835 1.00 0.00 H new ATOM 0 HE1 HIS A 43 28.316 0.127 -23.045 1.00 0.00 H new ATOM 0 HE2 HIS A 43 26.134 0.042 -24.372 1.00 0.00 H new ATOM 657 N PRO A 44 26.079 4.369 -20.812 1.00 0.00 N ATOM 658 CA PRO A 44 25.825 5.620 -21.541 1.00 0.00 C ATOM 659 C PRO A 44 24.798 5.494 -22.671 1.00 0.00 C ATOM 660 O PRO A 44 23.909 6.334 -22.804 1.00 0.00 O ATOM 661 CB PRO A 44 27.191 6.074 -22.072 1.00 0.00 C ATOM 662 CG PRO A 44 28.161 5.505 -21.043 1.00 0.00 C ATOM 663 CD PRO A 44 27.521 4.165 -20.691 1.00 0.00 C ATOM 0 HA PRO A 44 25.375 6.350 -20.868 1.00 0.00 H new ATOM 0 HB2 PRO A 44 27.386 5.684 -23.071 1.00 0.00 H new ATOM 0 HB3 PRO A 44 27.260 7.160 -22.135 1.00 0.00 H new ATOM 0 HG2 PRO A 44 29.163 5.381 -21.455 1.00 0.00 H new ATOM 0 HG3 PRO A 44 28.253 6.152 -20.171 1.00 0.00 H new ATOM 0 HD2 PRO A 44 27.863 3.379 -21.365 1.00 0.00 H new ATOM 0 HD3 PRO A 44 27.789 3.857 -19.680 1.00 0.00 H new ATOM 671 N THR A 45 24.834 4.397 -23.432 1.00 0.00 N ATOM 672 CA THR A 45 23.850 4.149 -24.506 1.00 0.00 C ATOM 673 C THR A 45 22.444 3.945 -23.935 1.00 0.00 C ATOM 674 O THR A 45 21.479 4.467 -24.481 1.00 0.00 O ATOM 675 CB THR A 45 24.296 2.973 -25.399 1.00 0.00 C ATOM 676 OG1 THR A 45 25.627 3.198 -25.826 1.00 0.00 O ATOM 677 CG2 THR A 45 23.434 2.807 -26.652 1.00 0.00 C ATOM 0 H THR A 45 25.533 3.661 -23.329 1.00 0.00 H new ATOM 0 HA THR A 45 23.805 5.035 -25.140 1.00 0.00 H new ATOM 0 HB THR A 45 24.199 2.070 -24.797 1.00 0.00 H new ATOM 0 HG1 THR A 45 25.919 2.454 -26.393 1.00 0.00 H new ATOM 0 HG21 THR A 45 23.800 1.963 -27.236 1.00 0.00 H new ATOM 0 HG22 THR A 45 22.400 2.625 -26.361 1.00 0.00 H new ATOM 0 HG23 THR A 45 23.487 3.715 -27.253 1.00 0.00 H new ATOM 685 N ALA A 46 22.304 3.335 -22.753 1.00 0.00 N ATOM 686 CA ALA A 46 21.015 3.247 -22.055 1.00 0.00 C ATOM 687 C ALA A 46 20.546 4.577 -21.423 1.00 0.00 C ATOM 688 O ALA A 46 19.462 4.636 -20.859 1.00 0.00 O ATOM 689 CB ALA A 46 21.037 2.054 -21.089 1.00 0.00 C ATOM 0 H ALA A 46 23.075 2.891 -22.255 1.00 0.00 H new ATOM 0 HA ALA A 46 20.239 3.058 -22.797 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.081 1.988 -20.570 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.210 1.135 -21.649 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.836 2.191 -20.360 1.00 0.00 H new ATOM 695 N ILE A 47 21.329 5.656 -21.497 1.00 0.00 N ATOM 696 CA ILE A 47 20.854 7.009 -21.159 1.00 0.00 C ATOM 697 C ILE A 47 20.242 7.579 -22.452 1.00 0.00 C ATOM 698 O ILE A 47 19.058 7.913 -22.511 1.00 0.00 O ATOM 699 CB ILE A 47 21.986 7.902 -20.598 1.00 0.00 C ATOM 700 CG1 ILE A 47 22.638 7.260 -19.349 1.00 0.00 C ATOM 701 CG2 ILE A 47 21.430 9.296 -20.255 1.00 0.00 C ATOM 702 CD1 ILE A 47 23.881 7.997 -18.831 1.00 0.00 C ATOM 0 H ILE A 47 22.305 5.622 -21.791 1.00 0.00 H new ATOM 0 HA ILE A 47 20.112 6.976 -20.361 1.00 0.00 H new ATOM 0 HB ILE A 47 22.756 8.001 -21.363 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.898 7.216 -18.550 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.913 6.232 -19.586 1.00 0.00 H new ATOM 0 HG21 ILE A 47 22.232 9.920 -19.860 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.021 9.756 -21.155 1.00 0.00 H new ATOM 0 HG23 ILE A 47 20.643 9.200 -19.507 1.00 0.00 H new ATOM 0 HD11 ILE A 47 24.272 7.479 -17.955 1.00 0.00 H new ATOM 0 HD12 ILE A 47 24.643 8.018 -19.611 1.00 0.00 H new ATOM 0 HD13 ILE A 47 23.612 9.018 -18.559 1.00 0.00 H new ATOM 714 N ALA A 48 21.023 7.585 -23.538 1.00 0.00 N ATOM 715 CA ALA A 48 20.670 8.265 -24.787 1.00 0.00 C ATOM 716 C ALA A 48 19.580 7.563 -25.621 1.00 0.00 C ATOM 717 O ALA A 48 18.802 8.228 -26.303 1.00 0.00 O ATOM 718 CB ALA A 48 21.957 8.457 -25.599 1.00 0.00 C ATOM 0 H ALA A 48 21.927 7.113 -23.574 1.00 0.00 H new ATOM 0 HA ALA A 48 20.220 9.223 -24.524 1.00 0.00 H new ATOM 0 HB1 ALA A 48 21.724 8.962 -26.536 1.00 0.00 H new ATOM 0 HB2 ALA A 48 22.661 9.061 -25.027 1.00 0.00 H new ATOM 0 HB3 ALA A 48 22.402 7.485 -25.812 1.00 0.00 H new ATOM 724 N MET A 49 19.464 6.232 -25.531 1.00 0.00 N ATOM 725 CA MET A 49 18.386 5.461 -26.179 1.00 0.00 C ATOM 726 C MET A 49 17.054 5.532 -25.423 1.00 0.00 C ATOM 727 O MET A 49 16.051 5.013 -25.904 1.00 0.00 O ATOM 728 CB MET A 49 18.801 3.997 -26.395 1.00 0.00 C ATOM 729 CG MET A 49 20.053 3.819 -27.264 1.00 0.00 C ATOM 730 SD MET A 49 20.095 4.690 -28.858 1.00 0.00 S ATOM 731 CE MET A 49 18.525 4.153 -29.580 1.00 0.00 C ATOM 0 H MET A 49 20.118 5.653 -25.004 1.00 0.00 H new ATOM 0 HA MET A 49 18.224 5.931 -27.149 1.00 0.00 H new ATOM 0 HB2 MET A 49 18.978 3.534 -25.424 1.00 0.00 H new ATOM 0 HB3 MET A 49 17.972 3.461 -26.857 1.00 0.00 H new ATOM 0 HG2 MET A 49 20.916 4.141 -26.681 1.00 0.00 H new ATOM 0 HG3 MET A 49 20.179 2.754 -27.459 1.00 0.00 H new ATOM 0 HE1 MET A 49 18.630 4.075 -30.662 1.00 0.00 H new ATOM 0 HE2 MET A 49 18.250 3.181 -29.171 1.00 0.00 H new ATOM 0 HE3 MET A 49 17.748 4.879 -29.342 1.00 0.00 H new ATOM 741 N MET A 50 17.043 6.153 -24.240 1.00 0.00 N ATOM 742 CA MET A 50 15.915 6.138 -23.297 1.00 0.00 C ATOM 743 C MET A 50 15.394 7.550 -23.010 1.00 0.00 C ATOM 744 O MET A 50 14.196 7.726 -22.785 1.00 0.00 O ATOM 745 CB MET A 50 16.340 5.407 -22.017 1.00 0.00 C ATOM 746 CG MET A 50 17.007 4.057 -22.301 1.00 0.00 C ATOM 747 SD MET A 50 15.979 2.823 -23.116 1.00 0.00 S ATOM 748 CE MET A 50 17.241 1.553 -23.395 1.00 0.00 C ATOM 0 H MET A 50 17.838 6.695 -23.901 1.00 0.00 H new ATOM 0 HA MET A 50 15.081 5.599 -23.747 1.00 0.00 H new ATOM 0 HB2 MET A 50 17.029 6.037 -21.455 1.00 0.00 H new ATOM 0 HB3 MET A 50 15.465 5.250 -21.386 1.00 0.00 H new ATOM 0 HG2 MET A 50 17.888 4.232 -22.919 1.00 0.00 H new ATOM 0 HG3 MET A 50 17.358 3.642 -21.356 1.00 0.00 H new ATOM 0 HE1 MET A 50 16.757 0.605 -23.628 1.00 0.00 H new ATOM 0 HE2 MET A 50 17.878 1.850 -24.228 1.00 0.00 H new ATOM 0 HE3 MET A 50 17.848 1.439 -22.497 1.00 0.00 H new ATOM 758 N GLU A 51 16.241 8.578 -23.141 1.00 0.00 N ATOM 759 CA GLU A 51 15.797 9.978 -23.107 1.00 0.00 C ATOM 760 C GLU A 51 14.842 10.322 -24.271 1.00 0.00 C ATOM 761 O GLU A 51 14.030 11.237 -24.150 1.00 0.00 O ATOM 762 CB GLU A 51 16.989 10.948 -23.016 1.00 0.00 C ATOM 763 CG GLU A 51 17.841 11.023 -24.286 1.00 0.00 C ATOM 764 CD GLU A 51 18.959 12.074 -24.131 1.00 0.00 C ATOM 765 OE1 GLU A 51 20.068 11.728 -23.657 1.00 0.00 O ATOM 766 OE2 GLU A 51 18.735 13.257 -24.486 1.00 0.00 O ATOM 0 H GLU A 51 17.246 8.465 -23.273 1.00 0.00 H new ATOM 0 HA GLU A 51 15.215 10.105 -22.195 1.00 0.00 H new ATOM 0 HB2 GLU A 51 16.614 11.945 -22.785 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.625 10.646 -22.184 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.279 10.047 -24.494 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.211 11.278 -25.138 1.00 0.00 H new ATOM 773 N GLU A 52 14.849 9.535 -25.359 1.00 0.00 N ATOM 774 CA GLU A 52 13.870 9.641 -26.460 1.00 0.00 C ATOM 775 C GLU A 52 12.456 9.135 -26.083 1.00 0.00 C ATOM 776 O GLU A 52 11.487 9.403 -26.796 1.00 0.00 O ATOM 777 CB GLU A 52 14.414 8.963 -27.735 1.00 0.00 C ATOM 778 CG GLU A 52 14.827 7.498 -27.538 1.00 0.00 C ATOM 779 CD GLU A 52 15.188 6.808 -28.865 1.00 0.00 C ATOM 780 OE1 GLU A 52 16.028 7.324 -29.639 1.00 0.00 O ATOM 781 OE2 GLU A 52 14.625 5.723 -29.150 1.00 0.00 O ATOM 0 H GLU A 52 15.540 8.799 -25.503 1.00 0.00 H new ATOM 0 HA GLU A 52 13.741 10.703 -26.666 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.653 9.013 -28.513 1.00 0.00 H new ATOM 0 HB3 GLU A 52 15.275 9.527 -28.094 1.00 0.00 H new ATOM 0 HG2 GLU A 52 15.682 7.452 -26.863 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.013 6.955 -27.059 1.00 0.00 H new ATOM 788 N VAL A 53 12.323 8.463 -24.930 1.00 0.00 N ATOM 789 CA VAL A 53 11.058 8.067 -24.267 1.00 0.00 C ATOM 790 C VAL A 53 10.816 8.922 -22.999 1.00 0.00 C ATOM 791 O VAL A 53 9.866 8.702 -22.250 1.00 0.00 O ATOM 792 CB VAL A 53 11.046 6.533 -24.029 1.00 0.00 C ATOM 793 CG1 VAL A 53 9.715 5.988 -23.484 1.00 0.00 C ATOM 794 CG2 VAL A 53 11.324 5.777 -25.340 1.00 0.00 C ATOM 0 H VAL A 53 13.140 8.161 -24.399 1.00 0.00 H new ATOM 0 HA VAL A 53 10.207 8.275 -24.915 1.00 0.00 H new ATOM 0 HB VAL A 53 11.823 6.370 -23.282 1.00 0.00 H new ATOM 0 HG11 VAL A 53 9.792 4.909 -23.347 1.00 0.00 H new ATOM 0 HG12 VAL A 53 9.493 6.461 -22.527 1.00 0.00 H new ATOM 0 HG13 VAL A 53 8.915 6.207 -24.191 1.00 0.00 H new ATOM 0 HG21 VAL A 53 11.311 4.704 -25.151 1.00 0.00 H new ATOM 0 HG22 VAL A 53 10.557 6.025 -26.073 1.00 0.00 H new ATOM 0 HG23 VAL A 53 12.302 6.066 -25.726 1.00 0.00 H new ATOM 804 N GLY A 54 11.662 9.933 -22.749 1.00 0.00 N ATOM 805 CA GLY A 54 11.610 10.791 -21.554 1.00 0.00 C ATOM 806 C GLY A 54 12.152 10.132 -20.275 1.00 0.00 C ATOM 807 O GLY A 54 11.910 10.638 -19.178 1.00 0.00 O ATOM 0 H GLY A 54 12.418 10.183 -23.386 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.179 11.700 -21.749 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.577 11.093 -21.383 1.00 0.00 H new ATOM 811 N ILE A 55 12.864 9.005 -20.399 1.00 0.00 N ATOM 812 CA ILE A 55 13.432 8.237 -19.278 1.00 0.00 C ATOM 813 C ILE A 55 14.879 8.680 -19.008 1.00 0.00 C ATOM 814 O ILE A 55 15.590 9.131 -19.904 1.00 0.00 O ATOM 815 CB ILE A 55 13.361 6.708 -19.541 1.00 0.00 C ATOM 816 CG1 ILE A 55 12.073 6.229 -20.240 1.00 0.00 C ATOM 817 CG2 ILE A 55 13.562 5.890 -18.249 1.00 0.00 C ATOM 818 CD1 ILE A 55 10.765 6.439 -19.459 1.00 0.00 C ATOM 0 H ILE A 55 13.068 8.588 -21.307 1.00 0.00 H new ATOM 0 HA ILE A 55 12.833 8.442 -18.391 1.00 0.00 H new ATOM 0 HB ILE A 55 14.184 6.529 -20.232 1.00 0.00 H new ATOM 0 HG12 ILE A 55 11.989 6.745 -21.196 1.00 0.00 H new ATOM 0 HG13 ILE A 55 12.176 5.166 -20.459 1.00 0.00 H new ATOM 0 HG21 ILE A 55 13.505 4.826 -18.479 1.00 0.00 H new ATOM 0 HG22 ILE A 55 14.539 6.117 -17.823 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.784 6.148 -17.530 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.926 6.065 -20.047 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.815 5.899 -18.514 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.625 7.502 -19.263 1.00 0.00 H new ATOM 830 N ASP A 56 15.337 8.493 -17.772 1.00 0.00 N ATOM 831 CA ASP A 56 16.743 8.654 -17.377 1.00 0.00 C ATOM 832 C ASP A 56 17.156 7.576 -16.367 1.00 0.00 C ATOM 833 O ASP A 56 16.342 7.134 -15.556 1.00 0.00 O ATOM 834 CB ASP A 56 16.970 10.059 -16.802 1.00 0.00 C ATOM 835 CG ASP A 56 18.434 10.302 -16.380 1.00 0.00 C ATOM 836 OD1 ASP A 56 19.352 9.755 -17.038 1.00 0.00 O ATOM 837 OD2 ASP A 56 18.658 10.992 -15.358 1.00 0.00 O ATOM 0 H ASP A 56 14.732 8.220 -16.998 1.00 0.00 H new ATOM 0 HA ASP A 56 17.368 8.535 -18.262 1.00 0.00 H new ATOM 0 HB2 ASP A 56 16.683 10.802 -17.546 1.00 0.00 H new ATOM 0 HB3 ASP A 56 16.319 10.203 -15.940 1.00 0.00 H new ATOM 842 N ILE A 57 18.435 7.194 -16.407 1.00 0.00 N ATOM 843 CA ILE A 57 19.085 6.246 -15.494 1.00 0.00 C ATOM 844 C ILE A 57 20.450 6.743 -14.976 1.00 0.00 C ATOM 845 O ILE A 57 21.084 6.052 -14.180 1.00 0.00 O ATOM 846 CB ILE A 57 19.220 4.852 -16.153 1.00 0.00 C ATOM 847 CG1 ILE A 57 20.169 4.878 -17.373 1.00 0.00 C ATOM 848 CG2 ILE A 57 17.851 4.281 -16.557 1.00 0.00 C ATOM 849 CD1 ILE A 57 20.534 3.479 -17.871 1.00 0.00 C ATOM 0 H ILE A 57 19.079 7.555 -17.111 1.00 0.00 H new ATOM 0 HA ILE A 57 18.436 6.163 -14.622 1.00 0.00 H new ATOM 0 HB ILE A 57 19.657 4.196 -15.400 1.00 0.00 H new ATOM 0 HG12 ILE A 57 19.697 5.435 -18.182 1.00 0.00 H new ATOM 0 HG13 ILE A 57 21.081 5.413 -17.107 1.00 0.00 H new ATOM 0 HG21 ILE A 57 17.986 3.302 -17.016 1.00 0.00 H new ATOM 0 HG22 ILE A 57 17.222 4.183 -15.672 1.00 0.00 H new ATOM 0 HG23 ILE A 57 17.373 4.953 -17.270 1.00 0.00 H new ATOM 0 HD11 ILE A 57 21.202 3.561 -18.728 1.00 0.00 H new ATOM 0 HD12 ILE A 57 21.033 2.928 -17.074 1.00 0.00 H new ATOM 0 HD13 ILE A 57 19.628 2.950 -18.166 1.00 0.00 H new ATOM 861 N SER A 58 20.920 7.917 -15.417 1.00 0.00 N ATOM 862 CA SER A 58 22.288 8.411 -15.184 1.00 0.00 C ATOM 863 C SER A 58 22.693 8.445 -13.698 1.00 0.00 C ATOM 864 O SER A 58 23.825 8.106 -13.346 1.00 0.00 O ATOM 865 CB SER A 58 22.409 9.820 -15.784 1.00 0.00 C ATOM 866 OG SER A 58 23.754 10.275 -15.740 1.00 0.00 O ATOM 0 H SER A 58 20.349 8.566 -15.958 1.00 0.00 H new ATOM 0 HA SER A 58 22.969 7.710 -15.667 1.00 0.00 H new ATOM 0 HB2 SER A 58 22.057 9.812 -16.816 1.00 0.00 H new ATOM 0 HB3 SER A 58 21.769 10.510 -15.234 1.00 0.00 H new ATOM 0 HG SER A 58 23.808 11.173 -16.128 1.00 0.00 H new ATOM 872 N GLY A 59 21.752 8.807 -12.814 1.00 0.00 N ATOM 873 CA GLY A 59 21.970 8.913 -11.366 1.00 0.00 C ATOM 874 C GLY A 59 21.860 7.603 -10.566 1.00 0.00 C ATOM 875 O GLY A 59 22.031 7.639 -9.346 1.00 0.00 O ATOM 0 H GLY A 59 20.799 9.039 -13.093 1.00 0.00 H new ATOM 0 HA2 GLY A 59 22.961 9.335 -11.198 1.00 0.00 H new ATOM 0 HA3 GLY A 59 21.249 9.623 -10.962 1.00 0.00 H new ATOM 879 N GLN A 60 21.555 6.460 -11.199 1.00 0.00 N ATOM 880 CA GLN A 60 21.391 5.179 -10.488 1.00 0.00 C ATOM 881 C GLN A 60 22.730 4.533 -10.077 1.00 0.00 C ATOM 882 O GLN A 60 23.796 4.836 -10.621 1.00 0.00 O ATOM 883 CB GLN A 60 20.538 4.204 -11.317 1.00 0.00 C ATOM 884 CG GLN A 60 19.049 4.588 -11.293 1.00 0.00 C ATOM 885 CD GLN A 60 18.249 3.799 -12.320 1.00 0.00 C ATOM 886 OE1 GLN A 60 17.648 4.346 -13.226 1.00 0.00 O ATOM 887 NE2 GLN A 60 18.201 2.493 -12.242 1.00 0.00 N ATOM 0 H GLN A 60 21.416 6.395 -12.207 1.00 0.00 H new ATOM 0 HA GLN A 60 20.868 5.405 -9.559 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.895 4.194 -12.347 1.00 0.00 H new ATOM 0 HB3 GLN A 60 20.659 3.193 -10.928 1.00 0.00 H new ATOM 0 HG2 GLN A 60 18.642 4.408 -10.298 1.00 0.00 H new ATOM 0 HG3 GLN A 60 18.945 5.655 -11.491 1.00 0.00 H new ATOM 0 HE21 GLN A 60 18.695 2.008 -11.493 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.669 1.960 -12.930 1.00 0.00 H new ATOM 896 N THR A 61 22.653 3.615 -9.111 1.00 0.00 N ATOM 897 CA THR A 61 23.754 2.775 -8.603 1.00 0.00 C ATOM 898 C THR A 61 23.291 1.317 -8.448 1.00 0.00 C ATOM 899 O THR A 61 22.093 1.026 -8.527 1.00 0.00 O ATOM 900 CB THR A 61 24.289 3.301 -7.254 1.00 0.00 C ATOM 901 OG1 THR A 61 23.243 3.386 -6.305 1.00 0.00 O ATOM 902 CG2 THR A 61 24.934 4.682 -7.373 1.00 0.00 C ATOM 0 H THR A 61 21.774 3.423 -8.631 1.00 0.00 H new ATOM 0 HA THR A 61 24.564 2.819 -9.331 1.00 0.00 H new ATOM 0 HB THR A 61 25.049 2.589 -6.932 1.00 0.00 H new ATOM 0 HG1 THR A 61 23.599 3.719 -5.455 1.00 0.00 H new ATOM 0 HG21 THR A 61 25.292 5.002 -6.394 1.00 0.00 H new ATOM 0 HG22 THR A 61 25.772 4.633 -8.068 1.00 0.00 H new ATOM 0 HG23 THR A 61 24.198 5.397 -7.741 1.00 0.00 H new ATOM 910 N SER A 62 24.227 0.384 -8.244 1.00 0.00 N ATOM 911 CA SER A 62 23.945 -1.029 -7.941 1.00 0.00 C ATOM 912 C SER A 62 24.974 -1.607 -6.956 1.00 0.00 C ATOM 913 O SER A 62 26.073 -1.067 -6.801 1.00 0.00 O ATOM 914 CB SER A 62 23.911 -1.849 -9.230 1.00 0.00 C ATOM 915 OG SER A 62 23.375 -3.138 -8.973 1.00 0.00 O ATOM 0 H SER A 62 25.225 0.592 -8.285 1.00 0.00 H new ATOM 0 HA SER A 62 22.966 -1.084 -7.464 1.00 0.00 H new ATOM 0 HB2 SER A 62 23.307 -1.338 -9.980 1.00 0.00 H new ATOM 0 HB3 SER A 62 24.917 -1.940 -9.639 1.00 0.00 H new ATOM 0 HG SER A 62 23.355 -3.656 -9.805 1.00 0.00 H new ATOM 921 N ASP A 63 24.598 -2.693 -6.280 1.00 0.00 N ATOM 922 CA ASP A 63 25.404 -3.429 -5.296 1.00 0.00 C ATOM 923 C ASP A 63 24.995 -4.921 -5.280 1.00 0.00 C ATOM 924 O ASP A 63 23.912 -5.254 -5.777 1.00 0.00 O ATOM 925 CB ASP A 63 25.224 -2.811 -3.897 1.00 0.00 C ATOM 926 CG ASP A 63 25.988 -1.489 -3.715 1.00 0.00 C ATOM 927 OD1 ASP A 63 27.237 -1.528 -3.582 1.00 0.00 O ATOM 928 OD2 ASP A 63 25.344 -0.414 -3.631 1.00 0.00 O ATOM 0 H ASP A 63 23.675 -3.108 -6.408 1.00 0.00 H new ATOM 0 HA ASP A 63 26.455 -3.359 -5.578 1.00 0.00 H new ATOM 0 HB2 ASP A 63 24.163 -2.637 -3.718 1.00 0.00 H new ATOM 0 HB3 ASP A 63 25.562 -3.525 -3.146 1.00 0.00 H new ATOM 933 N PRO A 64 25.812 -5.831 -4.705 1.00 0.00 N ATOM 934 CA PRO A 64 25.493 -7.260 -4.610 1.00 0.00 C ATOM 935 C PRO A 64 24.215 -7.551 -3.816 1.00 0.00 C ATOM 936 O PRO A 64 23.938 -6.902 -2.806 1.00 0.00 O ATOM 937 CB PRO A 64 26.717 -7.923 -3.962 1.00 0.00 C ATOM 938 CG PRO A 64 27.852 -6.949 -4.259 1.00 0.00 C ATOM 939 CD PRO A 64 27.149 -5.597 -4.179 1.00 0.00 C ATOM 0 HA PRO A 64 25.288 -7.660 -5.603 1.00 0.00 H new ATOM 0 HB2 PRO A 64 26.577 -8.061 -2.890 1.00 0.00 H new ATOM 0 HB3 PRO A 64 26.912 -8.907 -4.387 1.00 0.00 H new ATOM 0 HG2 PRO A 64 28.659 -7.031 -3.531 1.00 0.00 H new ATOM 0 HG3 PRO A 64 28.290 -7.122 -5.242 1.00 0.00 H new ATOM 0 HD2 PRO A 64 27.110 -5.233 -3.152 1.00 0.00 H new ATOM 0 HD3 PRO A 64 27.676 -4.844 -4.764 1.00 0.00 H new ATOM 947 N ILE A 65 23.473 -8.593 -4.207 1.00 0.00 N ATOM 948 CA ILE A 65 22.175 -8.958 -3.603 1.00 0.00 C ATOM 949 C ILE A 65 22.258 -9.234 -2.089 1.00 0.00 C ATOM 950 O ILE A 65 21.340 -8.902 -1.343 1.00 0.00 O ATOM 951 CB ILE A 65 21.563 -10.145 -4.392 1.00 0.00 C ATOM 952 CG1 ILE A 65 20.126 -10.527 -3.978 1.00 0.00 C ATOM 953 CG2 ILE A 65 22.418 -11.428 -4.310 1.00 0.00 C ATOM 954 CD1 ILE A 65 19.081 -9.446 -4.268 1.00 0.00 C ATOM 0 H ILE A 65 23.756 -9.218 -4.961 1.00 0.00 H new ATOM 0 HA ILE A 65 21.511 -8.097 -3.683 1.00 0.00 H new ATOM 0 HB ILE A 65 21.542 -9.760 -5.412 1.00 0.00 H new ATOM 0 HG12 ILE A 65 19.841 -11.441 -4.499 1.00 0.00 H new ATOM 0 HG13 ILE A 65 20.115 -10.751 -2.911 1.00 0.00 H new ATOM 0 HG21 ILE A 65 21.938 -12.222 -4.881 1.00 0.00 H new ATOM 0 HG22 ILE A 65 23.408 -11.232 -4.722 1.00 0.00 H new ATOM 0 HG23 ILE A 65 22.512 -11.736 -3.269 1.00 0.00 H new ATOM 0 HD11 ILE A 65 18.099 -9.794 -3.947 1.00 0.00 H new ATOM 0 HD12 ILE A 65 19.339 -8.536 -3.726 1.00 0.00 H new ATOM 0 HD13 ILE A 65 19.061 -9.237 -5.338 1.00 0.00 H new ATOM 966 N GLU A 66 23.391 -9.765 -1.613 1.00 0.00 N ATOM 967 CA GLU A 66 23.614 -10.088 -0.195 1.00 0.00 C ATOM 968 C GLU A 66 23.812 -8.848 0.707 1.00 0.00 C ATOM 969 O GLU A 66 23.736 -8.973 1.932 1.00 0.00 O ATOM 970 CB GLU A 66 24.814 -11.042 -0.062 1.00 0.00 C ATOM 971 CG GLU A 66 24.582 -12.398 -0.742 1.00 0.00 C ATOM 972 CD GLU A 66 25.765 -13.347 -0.471 1.00 0.00 C ATOM 973 OE1 GLU A 66 26.769 -13.311 -1.223 1.00 0.00 O ATOM 974 OE2 GLU A 66 25.701 -14.137 0.503 1.00 0.00 O ATOM 0 H GLU A 66 24.190 -9.986 -2.208 1.00 0.00 H new ATOM 0 HA GLU A 66 22.703 -10.571 0.159 1.00 0.00 H new ATOM 0 HB2 GLU A 66 25.696 -10.570 -0.496 1.00 0.00 H new ATOM 0 HB3 GLU A 66 25.027 -11.204 0.995 1.00 0.00 H new ATOM 0 HG2 GLU A 66 23.659 -12.844 -0.372 1.00 0.00 H new ATOM 0 HG3 GLU A 66 24.460 -12.257 -1.816 1.00 0.00 H new ATOM 981 N ASN A 67 24.047 -7.652 0.140 1.00 0.00 N ATOM 982 CA ASN A 67 24.182 -6.410 0.920 1.00 0.00 C ATOM 983 C ASN A 67 22.824 -5.811 1.360 1.00 0.00 C ATOM 984 O ASN A 67 22.776 -5.022 2.307 1.00 0.00 O ATOM 985 CB ASN A 67 25.078 -5.400 0.164 1.00 0.00 C ATOM 986 CG ASN A 67 24.308 -4.227 -0.434 1.00 0.00 C ATOM 987 OD1 ASN A 67 24.311 -3.118 0.079 1.00 0.00 O ATOM 988 ND2 ASN A 67 23.603 -4.445 -1.514 1.00 0.00 N ATOM 0 H ASN A 67 24.148 -7.519 -0.866 1.00 0.00 H new ATOM 0 HA ASN A 67 24.680 -6.661 1.857 1.00 0.00 H new ATOM 0 HB2 ASN A 67 25.835 -5.016 0.848 1.00 0.00 H new ATOM 0 HB3 ASN A 67 25.606 -5.922 -0.634 1.00 0.00 H new ATOM 0 HD21 ASN A 67 23.056 -3.690 -1.927 1.00 0.00 H new ATOM 0 HD22 ASN A 67 23.600 -5.370 -1.943 1.00 0.00 H new ATOM 995 N PHE A 68 21.732 -6.171 0.674 1.00 0.00 N ATOM 996 CA PHE A 68 20.381 -5.655 0.911 1.00 0.00 C ATOM 997 C PHE A 68 19.574 -6.521 1.907 1.00 0.00 C ATOM 998 O PHE A 68 19.965 -7.637 2.252 1.00 0.00 O ATOM 999 CB PHE A 68 19.649 -5.527 -0.438 1.00 0.00 C ATOM 1000 CG PHE A 68 20.290 -4.614 -1.463 1.00 0.00 C ATOM 1001 CD1 PHE A 68 20.377 -3.226 -1.233 1.00 0.00 C ATOM 1002 CD2 PHE A 68 20.772 -5.153 -2.671 1.00 0.00 C ATOM 1003 CE1 PHE A 68 20.945 -2.386 -2.207 1.00 0.00 C ATOM 1004 CE2 PHE A 68 21.352 -4.311 -3.632 1.00 0.00 C ATOM 1005 CZ PHE A 68 21.426 -2.930 -3.409 1.00 0.00 C ATOM 0 H PHE A 68 21.767 -6.851 -0.085 1.00 0.00 H new ATOM 0 HA PHE A 68 20.470 -4.674 1.377 1.00 0.00 H new ATOM 0 HB2 PHE A 68 19.558 -6.522 -0.874 1.00 0.00 H new ATOM 0 HB3 PHE A 68 18.637 -5.170 -0.246 1.00 0.00 H new ATOM 0 HD1 PHE A 68 20.007 -2.808 -0.308 1.00 0.00 H new ATOM 0 HD2 PHE A 68 20.695 -6.214 -2.858 1.00 0.00 H new ATOM 0 HE1 PHE A 68 21.011 -1.323 -2.031 1.00 0.00 H new ATOM 0 HE2 PHE A 68 21.743 -4.729 -4.548 1.00 0.00 H new ATOM 0 HZ PHE A 68 21.853 -2.284 -4.162 1.00 0.00 H new ATOM 1015 N ASN A 69 18.418 -6.004 2.344 1.00 0.00 N ATOM 1016 CA ASN A 69 17.446 -6.683 3.216 1.00 0.00 C ATOM 1017 C ASN A 69 16.099 -6.876 2.492 1.00 0.00 C ATOM 1018 O ASN A 69 15.354 -5.918 2.294 1.00 0.00 O ATOM 1019 CB ASN A 69 17.318 -5.905 4.549 1.00 0.00 C ATOM 1020 CG ASN A 69 17.342 -4.381 4.435 1.00 0.00 C ATOM 1021 OD1 ASN A 69 18.166 -3.710 5.038 1.00 0.00 O ATOM 1022 ND2 ASN A 69 16.466 -3.779 3.657 1.00 0.00 N ATOM 0 H ASN A 69 18.121 -5.062 2.090 1.00 0.00 H new ATOM 0 HA ASN A 69 17.800 -7.685 3.457 1.00 0.00 H new ATOM 0 HB2 ASN A 69 16.386 -6.200 5.032 1.00 0.00 H new ATOM 0 HB3 ASN A 69 18.130 -6.214 5.208 1.00 0.00 H new ATOM 0 HD21 ASN A 69 16.480 -2.763 3.563 1.00 0.00 H new ATOM 0 HD22 ASN A 69 15.773 -4.328 3.148 1.00 0.00 H new ATOM 1029 N ALA A 70 15.753 -8.105 2.114 1.00 0.00 N ATOM 1030 CA ALA A 70 14.616 -8.403 1.235 1.00 0.00 C ATOM 1031 C ALA A 70 13.230 -8.099 1.827 1.00 0.00 C ATOM 1032 O ALA A 70 12.262 -7.924 1.088 1.00 0.00 O ATOM 1033 CB ALA A 70 14.712 -9.874 0.865 1.00 0.00 C ATOM 0 H ALA A 70 16.261 -8.938 2.413 1.00 0.00 H new ATOM 0 HA ALA A 70 14.690 -7.742 0.372 1.00 0.00 H new ATOM 0 HB1 ALA A 70 13.882 -10.139 0.210 1.00 0.00 H new ATOM 0 HB2 ALA A 70 15.655 -10.059 0.350 1.00 0.00 H new ATOM 0 HB3 ALA A 70 14.668 -10.480 1.770 1.00 0.00 H new ATOM 1039 N ASP A 71 13.130 -8.004 3.153 1.00 0.00 N ATOM 1040 CA ASP A 71 11.868 -7.754 3.868 1.00 0.00 C ATOM 1041 C ASP A 71 11.273 -6.369 3.549 1.00 0.00 C ATOM 1042 O ASP A 71 10.062 -6.151 3.642 1.00 0.00 O ATOM 1043 CB ASP A 71 12.160 -7.830 5.372 1.00 0.00 C ATOM 1044 CG ASP A 71 10.868 -7.786 6.210 1.00 0.00 C ATOM 1045 OD1 ASP A 71 10.054 -8.736 6.120 1.00 0.00 O ATOM 1046 OD2 ASP A 71 10.675 -6.816 6.982 1.00 0.00 O ATOM 0 H ASP A 71 13.933 -8.099 3.775 1.00 0.00 H new ATOM 0 HA ASP A 71 11.140 -8.501 3.552 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.703 -8.749 5.590 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.807 -7.001 5.659 1.00 0.00 H new ATOM 1051 N ASP A 72 12.144 -5.441 3.148 1.00 0.00 N ATOM 1052 CA ASP A 72 11.840 -4.056 2.811 1.00 0.00 C ATOM 1053 C ASP A 72 11.487 -3.887 1.319 1.00 0.00 C ATOM 1054 O ASP A 72 11.145 -2.790 0.887 1.00 0.00 O ATOM 1055 CB ASP A 72 13.050 -3.215 3.237 1.00 0.00 C ATOM 1056 CG ASP A 72 12.774 -1.703 3.204 1.00 0.00 C ATOM 1057 OD1 ASP A 72 11.838 -1.235 3.897 1.00 0.00 O ATOM 1058 OD2 ASP A 72 13.527 -0.966 2.524 1.00 0.00 O ATOM 0 H ASP A 72 13.137 -5.652 3.045 1.00 0.00 H new ATOM 0 HA ASP A 72 10.950 -3.717 3.342 1.00 0.00 H new ATOM 0 HB2 ASP A 72 13.348 -3.502 4.245 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.891 -3.439 2.580 1.00 0.00 H new ATOM 1063 N TYR A 73 11.545 -4.983 0.548 1.00 0.00 N ATOM 1064 CA TYR A 73 11.154 -5.091 -0.854 1.00 0.00 C ATOM 1065 C TYR A 73 9.994 -6.076 -0.948 1.00 0.00 C ATOM 1066 O TYR A 73 10.178 -7.259 -1.229 1.00 0.00 O ATOM 1067 CB TYR A 73 12.348 -5.501 -1.725 1.00 0.00 C ATOM 1068 CG TYR A 73 13.521 -4.555 -1.587 1.00 0.00 C ATOM 1069 CD1 TYR A 73 13.632 -3.424 -2.412 1.00 0.00 C ATOM 1070 CD2 TYR A 73 14.470 -4.786 -0.578 1.00 0.00 C ATOM 1071 CE1 TYR A 73 14.699 -2.528 -2.221 1.00 0.00 C ATOM 1072 CE2 TYR A 73 15.538 -3.897 -0.379 1.00 0.00 C ATOM 1073 CZ TYR A 73 15.654 -2.755 -1.204 1.00 0.00 C ATOM 1074 OH TYR A 73 16.677 -1.871 -1.032 1.00 0.00 O ATOM 0 H TYR A 73 11.889 -5.870 0.916 1.00 0.00 H new ATOM 0 HA TYR A 73 10.825 -4.124 -1.235 1.00 0.00 H new ATOM 0 HB2 TYR A 73 12.664 -6.508 -1.451 1.00 0.00 H new ATOM 0 HB3 TYR A 73 12.036 -5.537 -2.769 1.00 0.00 H new ATOM 0 HD1 TYR A 73 12.903 -3.243 -3.188 1.00 0.00 H new ATOM 0 HD2 TYR A 73 14.377 -5.658 0.052 1.00 0.00 H new ATOM 0 HE1 TYR A 73 14.789 -1.659 -2.857 1.00 0.00 H new ATOM 0 HE2 TYR A 73 16.265 -4.084 0.398 1.00 0.00 H new ATOM 0 HH TYR A 73 17.246 -2.169 -0.292 1.00 0.00 H new ATOM 1084 N ASP A 74 8.787 -5.583 -0.674 1.00 0.00 N ATOM 1085 CA ASP A 74 7.522 -6.331 -0.722 1.00 0.00 C ATOM 1086 C ASP A 74 7.318 -7.083 -2.049 1.00 0.00 C ATOM 1087 O ASP A 74 6.645 -8.113 -2.092 1.00 0.00 O ATOM 1088 CB ASP A 74 6.351 -5.347 -0.560 1.00 0.00 C ATOM 1089 CG ASP A 74 6.593 -4.288 0.526 1.00 0.00 C ATOM 1090 OD1 ASP A 74 7.304 -3.303 0.211 1.00 0.00 O ATOM 1091 OD2 ASP A 74 6.073 -4.436 1.658 1.00 0.00 O ATOM 0 H ASP A 74 8.653 -4.610 -0.400 1.00 0.00 H new ATOM 0 HA ASP A 74 7.559 -7.065 0.083 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.171 -4.847 -1.512 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.447 -5.906 -0.318 1.00 0.00 H new ATOM 1096 N VAL A 75 7.900 -6.567 -3.132 1.00 0.00 N ATOM 1097 CA VAL A 75 7.791 -7.088 -4.495 1.00 0.00 C ATOM 1098 C VAL A 75 9.202 -7.214 -5.086 1.00 0.00 C ATOM 1099 O VAL A 75 9.994 -6.276 -5.035 1.00 0.00 O ATOM 1100 CB VAL A 75 6.861 -6.158 -5.304 1.00 0.00 C ATOM 1101 CG1 VAL A 75 6.835 -6.532 -6.792 1.00 0.00 C ATOM 1102 CG2 VAL A 75 5.425 -6.220 -4.764 1.00 0.00 C ATOM 0 H VAL A 75 8.488 -5.735 -3.080 1.00 0.00 H new ATOM 0 HA VAL A 75 7.347 -8.083 -4.521 1.00 0.00 H new ATOM 0 HB VAL A 75 7.259 -5.149 -5.197 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.169 -5.854 -7.326 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.841 -6.453 -7.205 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.476 -7.555 -6.904 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.787 -5.557 -5.349 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.052 -7.241 -4.839 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.415 -5.906 -3.720 1.00 0.00 H new ATOM 1112 N VAL A 76 9.539 -8.370 -5.661 1.00 0.00 N ATOM 1113 CA VAL A 76 10.879 -8.639 -6.225 1.00 0.00 C ATOM 1114 C VAL A 76 10.727 -9.227 -7.627 1.00 0.00 C ATOM 1115 O VAL A 76 10.019 -10.208 -7.812 1.00 0.00 O ATOM 1116 CB VAL A 76 11.692 -9.572 -5.304 1.00 0.00 C ATOM 1117 CG1 VAL A 76 13.009 -10.008 -5.964 1.00 0.00 C ATOM 1118 CG2 VAL A 76 12.056 -8.903 -3.971 1.00 0.00 C ATOM 0 H VAL A 76 8.893 -9.154 -5.753 1.00 0.00 H new ATOM 0 HA VAL A 76 11.434 -7.703 -6.296 1.00 0.00 H new ATOM 0 HB VAL A 76 11.047 -10.432 -5.124 1.00 0.00 H new ATOM 0 HG11 VAL A 76 13.556 -10.664 -5.287 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.793 -10.541 -6.890 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.614 -9.129 -6.184 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.628 -9.600 -3.358 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.655 -8.013 -4.162 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.144 -8.621 -3.445 1.00 0.00 H new ATOM 1128 N ILE A 77 11.387 -8.627 -8.616 1.00 0.00 N ATOM 1129 CA ILE A 77 11.249 -8.964 -10.037 1.00 0.00 C ATOM 1130 C ILE A 77 12.636 -9.244 -10.626 1.00 0.00 C ATOM 1131 O ILE A 77 13.573 -8.482 -10.400 1.00 0.00 O ATOM 1132 CB ILE A 77 10.528 -7.823 -10.792 1.00 0.00 C ATOM 1133 CG1 ILE A 77 9.194 -7.369 -10.145 1.00 0.00 C ATOM 1134 CG2 ILE A 77 10.300 -8.232 -12.255 1.00 0.00 C ATOM 1135 CD1 ILE A 77 8.091 -8.425 -10.102 1.00 0.00 C ATOM 0 H ILE A 77 12.052 -7.872 -8.449 1.00 0.00 H new ATOM 0 HA ILE A 77 10.640 -9.861 -10.147 1.00 0.00 H new ATOM 0 HB ILE A 77 11.188 -6.958 -10.735 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.398 -7.040 -9.126 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.822 -6.502 -10.691 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.792 -7.425 -12.783 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.260 -8.429 -12.731 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.686 -9.132 -12.290 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.203 -8.004 -9.631 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.849 -8.739 -11.117 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.434 -9.286 -9.528 1.00 0.00 H new ATOM 1147 N SER A 78 12.771 -10.323 -11.388 1.00 0.00 N ATOM 1148 CA SER A 78 14.028 -10.770 -11.997 1.00 0.00 C ATOM 1149 C SER A 78 14.036 -10.569 -13.517 1.00 0.00 C ATOM 1150 O SER A 78 12.999 -10.653 -14.166 1.00 0.00 O ATOM 1151 CB SER A 78 14.275 -12.225 -11.586 1.00 0.00 C ATOM 1152 OG SER A 78 15.414 -12.750 -12.230 1.00 0.00 O ATOM 0 H SER A 78 11.985 -10.934 -11.609 1.00 0.00 H new ATOM 0 HA SER A 78 14.851 -10.157 -11.630 1.00 0.00 H new ATOM 0 HB2 SER A 78 14.406 -12.283 -10.505 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.402 -12.829 -11.835 1.00 0.00 H new ATOM 0 HG SER A 78 15.143 -13.467 -12.841 1.00 0.00 H new ATOM 1158 N LEU A 79 15.211 -10.311 -14.101 1.00 0.00 N ATOM 1159 CA LEU A 79 15.435 -10.249 -15.553 1.00 0.00 C ATOM 1160 C LEU A 79 16.619 -11.156 -15.934 1.00 0.00 C ATOM 1161 O LEU A 79 17.616 -10.692 -16.486 1.00 0.00 O ATOM 1162 CB LEU A 79 15.607 -8.785 -16.026 1.00 0.00 C ATOM 1163 CG LEU A 79 14.385 -7.872 -15.790 1.00 0.00 C ATOM 1164 CD1 LEU A 79 14.514 -7.065 -14.497 1.00 0.00 C ATOM 1165 CD2 LEU A 79 14.232 -6.854 -16.925 1.00 0.00 C ATOM 0 H LEU A 79 16.059 -10.134 -13.562 1.00 0.00 H new ATOM 0 HA LEU A 79 14.557 -10.628 -16.077 1.00 0.00 H new ATOM 0 HB2 LEU A 79 16.467 -8.353 -15.515 1.00 0.00 H new ATOM 0 HB3 LEU A 79 15.838 -8.789 -17.091 1.00 0.00 H new ATOM 0 HG LEU A 79 13.524 -8.538 -15.736 1.00 0.00 H new ATOM 0 HD11 LEU A 79 13.632 -6.437 -14.371 1.00 0.00 H new ATOM 0 HD12 LEU A 79 14.598 -7.746 -13.650 1.00 0.00 H new ATOM 0 HD13 LEU A 79 15.403 -6.437 -14.547 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.364 -6.224 -16.734 1.00 0.00 H new ATOM 0 HD22 LEU A 79 15.126 -6.233 -16.980 1.00 0.00 H new ATOM 0 HD23 LEU A 79 14.097 -7.380 -17.870 1.00 0.00 H new ATOM 1177 N CYS A 80 16.544 -12.437 -15.565 1.00 0.00 N ATOM 1178 CA CYS A 80 17.658 -13.394 -15.644 1.00 0.00 C ATOM 1179 C CYS A 80 17.455 -14.553 -16.635 1.00 0.00 C ATOM 1180 O CYS A 80 18.432 -15.239 -16.945 1.00 0.00 O ATOM 1181 CB CYS A 80 17.930 -13.925 -14.232 1.00 0.00 C ATOM 1182 SG CYS A 80 18.460 -12.575 -13.146 1.00 0.00 S ATOM 0 H CYS A 80 15.689 -12.850 -15.194 1.00 0.00 H new ATOM 0 HA CYS A 80 18.516 -12.853 -16.043 1.00 0.00 H new ATOM 0 HB2 CYS A 80 17.030 -14.391 -13.832 1.00 0.00 H new ATOM 0 HB3 CYS A 80 18.700 -14.696 -14.268 1.00 0.00 H new ATOM 0 HG CYS A 80 17.455 -12.181 -12.421 1.00 0.00 H new ATOM 1188 N GLY A 81 16.239 -14.786 -17.141 1.00 0.00 N ATOM 1189 CA GLY A 81 15.973 -15.791 -18.180 1.00 0.00 C ATOM 1190 C GLY A 81 15.792 -17.218 -17.645 1.00 0.00 C ATOM 1191 O GLY A 81 16.563 -18.115 -17.994 1.00 0.00 O ATOM 0 H GLY A 81 15.406 -14.280 -16.840 1.00 0.00 H new ATOM 0 HA2 GLY A 81 15.075 -15.503 -18.726 1.00 0.00 H new ATOM 0 HA3 GLY A 81 16.796 -15.785 -18.895 1.00 0.00 H new ATOM 1195 N CYS A 82 14.774 -17.424 -16.800 1.00 0.00 N ATOM 1196 CA CYS A 82 14.376 -18.716 -16.212 1.00 0.00 C ATOM 1197 C CYS A 82 15.477 -19.419 -15.386 1.00 0.00 C ATOM 1198 O CYS A 82 15.512 -20.647 -15.284 1.00 0.00 O ATOM 1199 CB CYS A 82 13.733 -19.615 -17.286 1.00 0.00 C ATOM 1200 SG CYS A 82 12.262 -18.827 -18.004 1.00 0.00 S ATOM 0 H CYS A 82 14.174 -16.659 -16.491 1.00 0.00 H new ATOM 0 HA CYS A 82 13.618 -18.499 -15.459 1.00 0.00 H new ATOM 0 HB2 CYS A 82 14.458 -19.823 -18.073 1.00 0.00 H new ATOM 0 HB3 CYS A 82 13.457 -20.573 -16.845 1.00 0.00 H new ATOM 0 HG CYS A 82 11.747 -19.609 -18.906 1.00 0.00 H new ATOM 1206 N GLY A 83 16.370 -18.631 -14.775 1.00 0.00 N ATOM 1207 CA GLY A 83 17.408 -19.114 -13.859 1.00 0.00 C ATOM 1208 C GLY A 83 18.101 -17.960 -13.141 1.00 0.00 C ATOM 1209 O GLY A 83 18.793 -17.161 -13.775 1.00 0.00 O ATOM 0 H GLY A 83 16.391 -17.620 -14.907 1.00 0.00 H new ATOM 0 HA2 GLY A 83 16.963 -19.786 -13.125 1.00 0.00 H new ATOM 0 HA3 GLY A 83 18.145 -19.693 -14.415 1.00 0.00 H new ATOM 1213 N VAL A 84 17.906 -17.863 -11.823 1.00 0.00 N ATOM 1214 CA VAL A 84 18.509 -16.834 -10.954 1.00 0.00 C ATOM 1215 C VAL A 84 18.921 -17.438 -9.603 1.00 0.00 C ATOM 1216 O VAL A 84 18.150 -18.168 -8.981 1.00 0.00 O ATOM 1217 CB VAL A 84 17.562 -15.617 -10.815 1.00 0.00 C ATOM 1218 CG1 VAL A 84 16.271 -15.884 -10.035 1.00 0.00 C ATOM 1219 CG2 VAL A 84 18.274 -14.406 -10.205 1.00 0.00 C ATOM 0 H VAL A 84 17.309 -18.513 -11.312 1.00 0.00 H new ATOM 0 HA VAL A 84 19.424 -16.464 -11.417 1.00 0.00 H new ATOM 0 HB VAL A 84 17.268 -15.404 -11.843 1.00 0.00 H new ATOM 0 HG11 VAL A 84 15.676 -14.972 -9.993 1.00 0.00 H new ATOM 0 HG12 VAL A 84 15.700 -16.667 -10.534 1.00 0.00 H new ATOM 0 HG13 VAL A 84 16.517 -16.204 -9.022 1.00 0.00 H new ATOM 0 HG21 VAL A 84 17.574 -13.574 -10.125 1.00 0.00 H new ATOM 0 HG22 VAL A 84 18.646 -14.664 -9.213 1.00 0.00 H new ATOM 0 HG23 VAL A 84 19.110 -14.117 -10.842 1.00 0.00 H new ATOM 1229 N ASN A 85 20.140 -17.138 -9.143 1.00 0.00 N ATOM 1230 CA ASN A 85 20.631 -17.540 -7.820 1.00 0.00 C ATOM 1231 C ASN A 85 20.277 -16.452 -6.787 1.00 0.00 C ATOM 1232 O ASN A 85 20.702 -15.307 -6.932 1.00 0.00 O ATOM 1233 CB ASN A 85 22.145 -17.808 -7.915 1.00 0.00 C ATOM 1234 CG ASN A 85 22.755 -18.354 -6.631 1.00 0.00 C ATOM 1235 OD1 ASN A 85 22.080 -18.665 -5.659 1.00 0.00 O ATOM 1236 ND2 ASN A 85 24.059 -18.510 -6.588 1.00 0.00 N ATOM 0 H ASN A 85 20.821 -16.604 -9.684 1.00 0.00 H new ATOM 0 HA ASN A 85 20.153 -18.461 -7.485 1.00 0.00 H new ATOM 0 HB2 ASN A 85 22.329 -18.516 -8.723 1.00 0.00 H new ATOM 0 HB3 ASN A 85 22.652 -16.881 -8.182 1.00 0.00 H new ATOM 0 HD21 ASN A 85 24.500 -18.888 -5.749 1.00 0.00 H new ATOM 0 HD22 ASN A 85 24.630 -18.254 -7.393 1.00 0.00 H new ATOM 1243 N LEU A 86 19.491 -16.790 -5.760 1.00 0.00 N ATOM 1244 CA LEU A 86 18.998 -15.847 -4.747 1.00 0.00 C ATOM 1245 C LEU A 86 18.974 -16.461 -3.334 1.00 0.00 C ATOM 1246 O LEU A 86 18.558 -17.617 -3.189 1.00 0.00 O ATOM 1247 CB LEU A 86 17.555 -15.414 -5.102 1.00 0.00 C ATOM 1248 CG LEU A 86 17.396 -14.429 -6.268 1.00 0.00 C ATOM 1249 CD1 LEU A 86 15.911 -14.186 -6.529 1.00 0.00 C ATOM 1250 CD2 LEU A 86 18.046 -13.075 -5.982 1.00 0.00 C ATOM 0 H LEU A 86 19.172 -17.746 -5.605 1.00 0.00 H new ATOM 0 HA LEU A 86 19.682 -14.998 -4.745 1.00 0.00 H new ATOM 0 HB2 LEU A 86 16.978 -16.310 -5.333 1.00 0.00 H new ATOM 0 HB3 LEU A 86 17.107 -14.966 -4.215 1.00 0.00 H new ATOM 0 HG LEU A 86 17.889 -14.877 -7.131 1.00 0.00 H new ATOM 0 HD11 LEU A 86 15.797 -13.486 -7.357 1.00 0.00 H new ATOM 0 HD12 LEU A 86 15.427 -15.129 -6.782 1.00 0.00 H new ATOM 0 HD13 LEU A 86 15.448 -13.769 -5.635 1.00 0.00 H new ATOM 0 HD21 LEU A 86 17.905 -12.416 -6.838 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.585 -12.629 -5.101 1.00 0.00 H new ATOM 0 HD23 LEU A 86 19.112 -13.214 -5.803 1.00 0.00 H new ATOM 1262 N PRO A 87 19.345 -15.699 -2.282 1.00 0.00 N ATOM 1263 CA PRO A 87 19.125 -16.119 -0.897 1.00 0.00 C ATOM 1264 C PRO A 87 17.611 -16.269 -0.616 1.00 0.00 C ATOM 1265 O PRO A 87 16.818 -15.540 -1.222 1.00 0.00 O ATOM 1266 CB PRO A 87 19.782 -15.048 -0.014 1.00 0.00 C ATOM 1267 CG PRO A 87 20.794 -14.375 -0.943 1.00 0.00 C ATOM 1268 CD PRO A 87 20.147 -14.483 -2.323 1.00 0.00 C ATOM 0 HA PRO A 87 19.565 -17.094 -0.689 1.00 0.00 H new ATOM 0 HB2 PRO A 87 19.048 -14.335 0.361 1.00 0.00 H new ATOM 0 HB3 PRO A 87 20.270 -15.490 0.855 1.00 0.00 H new ATOM 0 HG2 PRO A 87 20.966 -13.336 -0.662 1.00 0.00 H new ATOM 0 HG3 PRO A 87 21.761 -14.878 -0.914 1.00 0.00 H new ATOM 0 HD2 PRO A 87 19.528 -13.611 -2.536 1.00 0.00 H new ATOM 0 HD3 PRO A 87 20.902 -14.537 -3.107 1.00 0.00 H new ATOM 1276 N PRO A 88 17.174 -17.144 0.314 1.00 0.00 N ATOM 1277 CA PRO A 88 15.754 -17.495 0.482 1.00 0.00 C ATOM 1278 C PRO A 88 14.814 -16.321 0.787 1.00 0.00 C ATOM 1279 O PRO A 88 13.636 -16.351 0.432 1.00 0.00 O ATOM 1280 CB PRO A 88 15.717 -18.522 1.620 1.00 0.00 C ATOM 1281 CG PRO A 88 17.096 -19.170 1.557 1.00 0.00 C ATOM 1282 CD PRO A 88 18.001 -18.017 1.141 1.00 0.00 C ATOM 0 HA PRO A 88 15.378 -17.878 -0.467 1.00 0.00 H new ATOM 0 HB2 PRO A 88 15.540 -18.046 2.585 1.00 0.00 H new ATOM 0 HB3 PRO A 88 14.922 -19.254 1.475 1.00 0.00 H new ATOM 0 HG2 PRO A 88 17.390 -19.586 2.521 1.00 0.00 H new ATOM 0 HG3 PRO A 88 17.125 -19.986 0.835 1.00 0.00 H new ATOM 0 HD2 PRO A 88 18.382 -17.485 2.012 1.00 0.00 H new ATOM 0 HD3 PRO A 88 18.866 -18.379 0.585 1.00 0.00 H new ATOM 1290 N GLU A 89 15.328 -15.253 1.401 1.00 0.00 N ATOM 1291 CA GLU A 89 14.540 -14.054 1.712 1.00 0.00 C ATOM 1292 C GLU A 89 14.101 -13.239 0.476 1.00 0.00 C ATOM 1293 O GLU A 89 13.159 -12.456 0.579 1.00 0.00 O ATOM 1294 CB GLU A 89 15.267 -13.211 2.766 1.00 0.00 C ATOM 1295 CG GLU A 89 16.625 -12.649 2.320 1.00 0.00 C ATOM 1296 CD GLU A 89 17.200 -11.693 3.387 1.00 0.00 C ATOM 1297 OE1 GLU A 89 17.844 -12.180 4.349 1.00 0.00 O ATOM 1298 OE2 GLU A 89 17.015 -10.455 3.268 1.00 0.00 O ATOM 0 H GLU A 89 16.302 -15.193 1.697 1.00 0.00 H new ATOM 0 HA GLU A 89 13.594 -14.394 2.135 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.623 -12.380 3.053 1.00 0.00 H new ATOM 0 HB3 GLU A 89 15.417 -13.820 3.657 1.00 0.00 H new ATOM 0 HG2 GLU A 89 17.323 -13.468 2.145 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.512 -12.119 1.374 1.00 0.00 H new ATOM 1305 N TRP A 90 14.705 -13.439 -0.704 1.00 0.00 N ATOM 1306 CA TRP A 90 14.348 -12.748 -1.959 1.00 0.00 C ATOM 1307 C TRP A 90 13.261 -13.445 -2.799 1.00 0.00 C ATOM 1308 O TRP A 90 12.883 -12.930 -3.852 1.00 0.00 O ATOM 1309 CB TRP A 90 15.621 -12.517 -2.776 1.00 0.00 C ATOM 1310 CG TRP A 90 16.564 -11.567 -2.120 1.00 0.00 C ATOM 1311 CD1 TRP A 90 17.608 -11.900 -1.331 1.00 0.00 C ATOM 1312 CD2 TRP A 90 16.462 -10.116 -2.068 1.00 0.00 C ATOM 1313 NE1 TRP A 90 18.162 -10.754 -0.793 1.00 0.00 N ATOM 1314 CE2 TRP A 90 17.459 -9.632 -1.176 1.00 0.00 C ATOM 1315 CE3 TRP A 90 15.589 -9.169 -2.645 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 17.522 -8.289 -0.799 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 15.673 -7.808 -2.306 1.00 0.00 C ATOM 1318 CH2 TRP A 90 16.627 -7.370 -1.370 1.00 0.00 C ATOM 0 H TRP A 90 15.473 -14.100 -0.819 1.00 0.00 H new ATOM 0 HA TRP A 90 13.894 -11.798 -1.676 1.00 0.00 H new ATOM 0 HB2 TRP A 90 16.124 -13.471 -2.933 1.00 0.00 H new ATOM 0 HB3 TRP A 90 15.351 -12.133 -3.760 1.00 0.00 H new ATOM 0 HD1 TRP A 90 17.956 -12.906 -1.149 1.00 0.00 H new ATOM 0 HE1 TRP A 90 18.985 -10.740 -0.190 1.00 0.00 H new ATOM 0 HE3 TRP A 90 14.846 -9.495 -3.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 18.253 -7.960 -0.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 15.003 -7.096 -2.765 1.00 0.00 H new ATOM 0 HH2 TRP A 90 16.671 -6.328 -1.091 1.00 0.00 H new ATOM 1329 N VAL A 91 12.786 -14.621 -2.368 1.00 0.00 N ATOM 1330 CA VAL A 91 11.847 -15.492 -3.116 1.00 0.00 C ATOM 1331 C VAL A 91 10.580 -15.855 -2.315 1.00 0.00 C ATOM 1332 O VAL A 91 9.876 -16.812 -2.636 1.00 0.00 O ATOM 1333 CB VAL A 91 12.575 -16.750 -3.639 1.00 0.00 C ATOM 1334 CG1 VAL A 91 13.658 -16.384 -4.661 1.00 0.00 C ATOM 1335 CG2 VAL A 91 13.226 -17.548 -2.502 1.00 0.00 C ATOM 0 H VAL A 91 13.048 -15.011 -1.463 1.00 0.00 H new ATOM 0 HA VAL A 91 11.494 -14.915 -3.971 1.00 0.00 H new ATOM 0 HB VAL A 91 11.813 -17.366 -4.117 1.00 0.00 H new ATOM 0 HG11 VAL A 91 14.151 -17.292 -5.009 1.00 0.00 H new ATOM 0 HG12 VAL A 91 13.201 -15.872 -5.508 1.00 0.00 H new ATOM 0 HG13 VAL A 91 14.393 -15.728 -4.194 1.00 0.00 H new ATOM 0 HG21 VAL A 91 13.727 -18.424 -2.913 1.00 0.00 H new ATOM 0 HG22 VAL A 91 13.955 -16.921 -1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 91 12.459 -17.866 -1.796 1.00 0.00 H new ATOM 1345 N THR A 92 10.287 -15.093 -1.256 1.00 0.00 N ATOM 1346 CA THR A 92 9.223 -15.350 -0.253 1.00 0.00 C ATOM 1347 C THR A 92 8.205 -14.189 -0.145 1.00 0.00 C ATOM 1348 O THR A 92 7.217 -14.249 0.591 1.00 0.00 O ATOM 1349 CB THR A 92 9.896 -15.730 1.087 1.00 0.00 C ATOM 1350 OG1 THR A 92 8.980 -16.062 2.110 1.00 0.00 O ATOM 1351 CG2 THR A 92 10.822 -14.632 1.606 1.00 0.00 C ATOM 0 H THR A 92 10.804 -14.237 -1.056 1.00 0.00 H new ATOM 0 HA THR A 92 8.610 -16.191 -0.576 1.00 0.00 H new ATOM 0 HB THR A 92 10.478 -16.620 0.846 1.00 0.00 H new ATOM 0 HG1 THR A 92 8.118 -15.632 1.930 1.00 0.00 H new ATOM 0 HG21 THR A 92 11.269 -14.948 2.548 1.00 0.00 H new ATOM 0 HG22 THR A 92 11.609 -14.445 0.876 1.00 0.00 H new ATOM 0 HG23 THR A 92 10.249 -13.718 1.765 1.00 0.00 H new ATOM 1359 N GLN A 93 8.423 -13.135 -0.936 1.00 0.00 N ATOM 1360 CA GLN A 93 7.591 -11.945 -1.132 1.00 0.00 C ATOM 1361 C GLN A 93 6.157 -12.254 -1.601 1.00 0.00 C ATOM 1362 O GLN A 93 5.876 -13.330 -2.131 1.00 0.00 O ATOM 1363 CB GLN A 93 8.286 -11.058 -2.183 1.00 0.00 C ATOM 1364 CG GLN A 93 9.409 -10.189 -1.602 1.00 0.00 C ATOM 1365 CD GLN A 93 10.668 -10.942 -1.168 1.00 0.00 C ATOM 1366 OE1 GLN A 93 10.901 -12.090 -1.522 1.00 0.00 O ATOM 1367 NE2 GLN A 93 11.528 -10.347 -0.375 1.00 0.00 N ATOM 0 H GLN A 93 9.266 -13.089 -1.509 1.00 0.00 H new ATOM 0 HA GLN A 93 7.492 -11.450 -0.166 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.697 -11.693 -2.968 1.00 0.00 H new ATOM 0 HB3 GLN A 93 7.543 -10.413 -2.651 1.00 0.00 H new ATOM 0 HG2 GLN A 93 9.691 -9.445 -2.347 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.017 -9.647 -0.742 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.358 -9.390 -0.065 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.366 -10.841 -0.069 1.00 0.00 H new ATOM 1376 N GLU A 94 5.261 -11.265 -1.473 1.00 0.00 N ATOM 1377 CA GLU A 94 3.880 -11.395 -1.962 1.00 0.00 C ATOM 1378 C GLU A 94 3.802 -11.552 -3.491 1.00 0.00 C ATOM 1379 O GLU A 94 2.953 -12.299 -3.980 1.00 0.00 O ATOM 1380 CB GLU A 94 2.986 -10.243 -1.468 1.00 0.00 C ATOM 1381 CG GLU A 94 3.427 -8.817 -1.820 1.00 0.00 C ATOM 1382 CD GLU A 94 2.328 -7.805 -1.440 1.00 0.00 C ATOM 1383 OE1 GLU A 94 2.313 -7.325 -0.279 1.00 0.00 O ATOM 1384 OE2 GLU A 94 1.466 -7.486 -2.295 1.00 0.00 O ATOM 0 H GLU A 94 5.467 -10.367 -1.036 1.00 0.00 H new ATOM 0 HA GLU A 94 3.493 -12.320 -1.534 1.00 0.00 H new ATOM 0 HB2 GLU A 94 1.984 -10.396 -1.869 1.00 0.00 H new ATOM 0 HB3 GLU A 94 2.909 -10.315 -0.383 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.351 -8.575 -1.294 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.640 -8.748 -2.887 1.00 0.00 H new ATOM 1391 N ILE A 95 4.701 -10.893 -4.243 1.00 0.00 N ATOM 1392 CA ILE A 95 4.812 -11.036 -5.706 1.00 0.00 C ATOM 1393 C ILE A 95 6.273 -11.268 -6.129 1.00 0.00 C ATOM 1394 O ILE A 95 7.159 -10.478 -5.789 1.00 0.00 O ATOM 1395 CB ILE A 95 4.180 -9.817 -6.422 1.00 0.00 C ATOM 1396 CG1 ILE A 95 2.687 -9.668 -6.034 1.00 0.00 C ATOM 1397 CG2 ILE A 95 4.332 -9.922 -7.956 1.00 0.00 C ATOM 1398 CD1 ILE A 95 2.027 -8.384 -6.533 1.00 0.00 C ATOM 0 H ILE A 95 5.378 -10.240 -3.849 1.00 0.00 H new ATOM 0 HA ILE A 95 4.251 -11.919 -6.013 1.00 0.00 H new ATOM 0 HB ILE A 95 4.716 -8.927 -6.093 1.00 0.00 H new ATOM 0 HG12 ILE A 95 2.136 -10.522 -6.428 1.00 0.00 H new ATOM 0 HG13 ILE A 95 2.601 -9.707 -4.948 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.878 -9.050 -8.427 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.390 -9.964 -8.215 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.836 -10.826 -8.310 1.00 0.00 H new ATOM 0 HD11 ILE A 95 0.984 -8.364 -6.216 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.549 -7.522 -6.118 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.076 -8.349 -7.621 1.00 0.00 H new ATOM 1410 N PHE A 96 6.493 -12.335 -6.909 1.00 0.00 N ATOM 1411 CA PHE A 96 7.750 -12.638 -7.604 1.00 0.00 C ATOM 1412 C PHE A 96 7.492 -13.126 -9.040 1.00 0.00 C ATOM 1413 O PHE A 96 6.580 -13.917 -9.281 1.00 0.00 O ATOM 1414 CB PHE A 96 8.575 -13.673 -6.819 1.00 0.00 C ATOM 1415 CG PHE A 96 9.996 -13.878 -7.332 1.00 0.00 C ATOM 1416 CD1 PHE A 96 10.259 -14.663 -8.476 1.00 0.00 C ATOM 1417 CD2 PHE A 96 11.073 -13.271 -6.657 1.00 0.00 C ATOM 1418 CE1 PHE A 96 11.576 -14.814 -8.949 1.00 0.00 C ATOM 1419 CE2 PHE A 96 12.390 -13.435 -7.120 1.00 0.00 C ATOM 1420 CZ PHE A 96 12.643 -14.199 -8.272 1.00 0.00 C ATOM 0 H PHE A 96 5.773 -13.037 -7.079 1.00 0.00 H new ATOM 0 HA PHE A 96 8.325 -11.714 -7.663 1.00 0.00 H new ATOM 0 HB2 PHE A 96 8.622 -13.364 -5.775 1.00 0.00 H new ATOM 0 HB3 PHE A 96 8.052 -14.629 -6.845 1.00 0.00 H new ATOM 0 HD1 PHE A 96 9.445 -15.151 -8.991 1.00 0.00 H new ATOM 0 HD2 PHE A 96 10.885 -12.675 -5.776 1.00 0.00 H new ATOM 0 HE1 PHE A 96 11.767 -15.403 -9.834 1.00 0.00 H new ATOM 0 HE2 PHE A 96 13.209 -12.973 -6.589 1.00 0.00 H new ATOM 0 HZ PHE A 96 13.654 -14.313 -8.636 1.00 0.00 H new ATOM 1430 N GLU A 97 8.328 -12.689 -9.984 1.00 0.00 N ATOM 1431 CA GLU A 97 8.387 -13.198 -11.366 1.00 0.00 C ATOM 1432 C GLU A 97 9.767 -12.931 -11.994 1.00 0.00 C ATOM 1433 O GLU A 97 10.483 -12.015 -11.587 1.00 0.00 O ATOM 1434 CB GLU A 97 7.251 -12.623 -12.235 1.00 0.00 C ATOM 1435 CG GLU A 97 7.292 -11.104 -12.385 1.00 0.00 C ATOM 1436 CD GLU A 97 5.986 -10.571 -12.990 1.00 0.00 C ATOM 1437 OE1 GLU A 97 5.733 -10.766 -14.201 1.00 0.00 O ATOM 1438 OE2 GLU A 97 5.187 -9.944 -12.258 1.00 0.00 O ATOM 0 H GLU A 97 9.006 -11.948 -9.807 1.00 0.00 H new ATOM 0 HA GLU A 97 8.242 -14.278 -11.325 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.299 -13.077 -13.225 1.00 0.00 H new ATOM 0 HB3 GLU A 97 6.294 -12.909 -11.799 1.00 0.00 H new ATOM 0 HG2 GLU A 97 7.459 -10.644 -11.411 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.132 -10.821 -13.019 1.00 0.00 H new ATOM 1445 N ASP A 98 10.126 -13.728 -13.002 1.00 0.00 N ATOM 1446 CA ASP A 98 11.301 -13.521 -13.859 1.00 0.00 C ATOM 1447 C ASP A 98 10.880 -13.206 -15.301 1.00 0.00 C ATOM 1448 O ASP A 98 9.926 -13.795 -15.819 1.00 0.00 O ATOM 1449 CB ASP A 98 12.231 -14.744 -13.806 1.00 0.00 C ATOM 1450 CG ASP A 98 13.444 -14.570 -14.733 1.00 0.00 C ATOM 1451 OD1 ASP A 98 14.380 -13.829 -14.355 1.00 0.00 O ATOM 1452 OD2 ASP A 98 13.443 -15.152 -15.842 1.00 0.00 O ATOM 0 H ASP A 98 9.593 -14.561 -13.254 1.00 0.00 H new ATOM 0 HA ASP A 98 11.853 -12.661 -13.481 1.00 0.00 H new ATOM 0 HB2 ASP A 98 12.573 -14.898 -12.783 1.00 0.00 H new ATOM 0 HB3 ASP A 98 11.676 -15.637 -14.095 1.00 0.00 H new ATOM 1457 N TRP A 99 11.619 -12.311 -15.962 1.00 0.00 N ATOM 1458 CA TRP A 99 11.439 -11.911 -17.357 1.00 0.00 C ATOM 1459 C TRP A 99 12.595 -12.409 -18.242 1.00 0.00 C ATOM 1460 O TRP A 99 13.761 -12.411 -17.844 1.00 0.00 O ATOM 1461 CB TRP A 99 11.191 -10.390 -17.423 1.00 0.00 C ATOM 1462 CG TRP A 99 9.992 -9.901 -16.647 1.00 0.00 C ATOM 1463 CD1 TRP A 99 8.906 -10.655 -16.343 1.00 0.00 C ATOM 1464 CD2 TRP A 99 9.716 -8.575 -16.071 1.00 0.00 C ATOM 1465 NE1 TRP A 99 8.016 -9.924 -15.595 1.00 0.00 N ATOM 1466 CE2 TRP A 99 8.445 -8.632 -15.423 1.00 0.00 C ATOM 1467 CE3 TRP A 99 10.368 -7.316 -16.060 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 7.853 -7.527 -14.807 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 9.766 -6.181 -15.468 1.00 0.00 C ATOM 1470 CH2 TRP A 99 8.513 -6.289 -14.841 1.00 0.00 C ATOM 0 H TRP A 99 12.396 -11.823 -15.516 1.00 0.00 H new ATOM 0 HA TRP A 99 10.555 -12.393 -17.773 1.00 0.00 H new ATOM 0 HB2 TRP A 99 12.078 -9.877 -17.052 1.00 0.00 H new ATOM 0 HB3 TRP A 99 11.070 -10.103 -18.467 1.00 0.00 H new ATOM 0 HD1 TRP A 99 8.762 -11.682 -16.646 1.00 0.00 H new ATOM 0 HE1 TRP A 99 7.145 -10.295 -15.215 1.00 0.00 H new ATOM 0 HE3 TRP A 99 11.344 -7.222 -16.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 6.899 -7.624 -14.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 10.272 -5.227 -15.498 1.00 0.00 H new ATOM 0 HH2 TRP A 99 8.059 -5.421 -14.386 1.00 0.00 H new ATOM 1481 N GLN A 100 12.267 -12.822 -19.471 1.00 0.00 N ATOM 1482 CA GLN A 100 13.157 -13.530 -20.415 1.00 0.00 C ATOM 1483 C GLN A 100 13.581 -12.519 -21.487 1.00 0.00 C ATOM 1484 O GLN A 100 13.284 -12.640 -22.677 1.00 0.00 O ATOM 1485 CB GLN A 100 12.464 -14.792 -20.970 1.00 0.00 C ATOM 1486 CG GLN A 100 12.174 -15.888 -19.926 1.00 0.00 C ATOM 1487 CD GLN A 100 11.043 -15.537 -18.958 1.00 0.00 C ATOM 1488 OE1 GLN A 100 9.898 -15.347 -19.344 1.00 0.00 O ATOM 1489 NE2 GLN A 100 11.302 -15.390 -17.678 1.00 0.00 N ATOM 0 H GLN A 100 11.336 -12.668 -19.857 1.00 0.00 H new ATOM 0 HA GLN A 100 14.057 -13.903 -19.927 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.524 -14.497 -21.436 1.00 0.00 H new ATOM 0 HB3 GLN A 100 13.089 -15.216 -21.756 1.00 0.00 H new ATOM 0 HG2 GLN A 100 11.921 -16.813 -20.445 1.00 0.00 H new ATOM 0 HG3 GLN A 100 13.082 -16.081 -19.354 1.00 0.00 H new ATOM 0 HE21 GLN A 100 12.248 -15.542 -17.328 1.00 0.00 H new ATOM 0 HE22 GLN A 100 10.557 -15.124 -17.034 1.00 0.00 H new ATOM 1498 N LEU A 101 14.225 -11.463 -20.993 1.00 0.00 N ATOM 1499 CA LEU A 101 14.537 -10.231 -21.703 1.00 0.00 C ATOM 1500 C LEU A 101 16.033 -10.127 -22.047 1.00 0.00 C ATOM 1501 O LEU A 101 16.895 -10.364 -21.200 1.00 0.00 O ATOM 1502 CB LEU A 101 13.964 -9.150 -20.762 1.00 0.00 C ATOM 1503 CG LEU A 101 13.845 -7.701 -21.227 1.00 0.00 C ATOM 1504 CD1 LEU A 101 15.164 -6.958 -21.011 1.00 0.00 C ATOM 1505 CD2 LEU A 101 13.414 -7.543 -22.680 1.00 0.00 C ATOM 0 H LEU A 101 14.561 -11.447 -20.030 1.00 0.00 H new ATOM 0 HA LEU A 101 14.097 -10.142 -22.696 1.00 0.00 H new ATOM 0 HB2 LEU A 101 12.967 -9.476 -20.467 1.00 0.00 H new ATOM 0 HB3 LEU A 101 14.578 -9.149 -19.861 1.00 0.00 H new ATOM 0 HG LEU A 101 13.053 -7.268 -20.616 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.060 -5.927 -21.348 1.00 0.00 H new ATOM 0 HD12 LEU A 101 15.419 -6.969 -19.951 1.00 0.00 H new ATOM 0 HD13 LEU A 101 15.955 -7.448 -21.579 1.00 0.00 H new ATOM 0 HD21 LEU A 101 13.354 -6.483 -22.929 1.00 0.00 H new ATOM 0 HD22 LEU A 101 14.142 -8.028 -23.330 1.00 0.00 H new ATOM 0 HD23 LEU A 101 12.437 -8.005 -22.822 1.00 0.00 H new ATOM 1517 N GLU A 102 16.345 -9.788 -23.299 1.00 0.00 N ATOM 1518 CA GLU A 102 17.686 -9.834 -23.890 1.00 0.00 C ATOM 1519 C GLU A 102 18.473 -8.534 -23.684 1.00 0.00 C ATOM 1520 O GLU A 102 17.905 -7.481 -23.392 1.00 0.00 O ATOM 1521 CB GLU A 102 17.562 -10.198 -25.384 1.00 0.00 C ATOM 1522 CG GLU A 102 16.942 -9.100 -26.262 1.00 0.00 C ATOM 1523 CD GLU A 102 16.680 -9.623 -27.689 1.00 0.00 C ATOM 1524 OE1 GLU A 102 17.639 -9.734 -28.492 1.00 0.00 O ATOM 1525 OE2 GLU A 102 15.507 -9.930 -28.014 1.00 0.00 O ATOM 0 H GLU A 102 15.640 -9.459 -23.959 1.00 0.00 H new ATOM 0 HA GLU A 102 18.262 -10.603 -23.375 1.00 0.00 H new ATOM 0 HB2 GLU A 102 18.553 -10.436 -25.770 1.00 0.00 H new ATOM 0 HB3 GLU A 102 16.959 -11.101 -25.475 1.00 0.00 H new ATOM 0 HG2 GLU A 102 16.007 -8.758 -25.818 1.00 0.00 H new ATOM 0 HG3 GLU A 102 17.610 -8.240 -26.302 1.00 0.00 H new ATOM 1532 N ASP A 103 19.789 -8.599 -23.873 1.00 0.00 N ATOM 1533 CA ASP A 103 20.640 -7.406 -23.896 1.00 0.00 C ATOM 1534 C ASP A 103 20.658 -6.762 -25.299 1.00 0.00 C ATOM 1535 O ASP A 103 20.739 -7.478 -26.304 1.00 0.00 O ATOM 1536 CB ASP A 103 22.052 -7.707 -23.362 1.00 0.00 C ATOM 1537 CG ASP A 103 23.031 -8.203 -24.447 1.00 0.00 C ATOM 1538 OD1 ASP A 103 23.114 -9.434 -24.677 1.00 0.00 O ATOM 1539 OD2 ASP A 103 23.730 -7.349 -25.045 1.00 0.00 O ATOM 0 H ASP A 103 20.295 -9.473 -24.014 1.00 0.00 H new ATOM 0 HA ASP A 103 20.208 -6.670 -23.218 1.00 0.00 H new ATOM 0 HB2 ASP A 103 22.458 -6.805 -22.904 1.00 0.00 H new ATOM 0 HB3 ASP A 103 21.981 -8.460 -22.577 1.00 0.00 H new ATOM 1544 N PRO A 104 20.604 -5.424 -25.404 1.00 0.00 N ATOM 1545 CA PRO A 104 20.725 -4.735 -26.687 1.00 0.00 C ATOM 1546 C PRO A 104 22.163 -4.332 -27.061 1.00 0.00 C ATOM 1547 O PRO A 104 22.449 -4.149 -28.242 1.00 0.00 O ATOM 1548 CB PRO A 104 19.810 -3.525 -26.528 1.00 0.00 C ATOM 1549 CG PRO A 104 19.960 -3.159 -25.051 1.00 0.00 C ATOM 1550 CD PRO A 104 20.089 -4.524 -24.380 1.00 0.00 C ATOM 0 HA PRO A 104 20.444 -5.388 -27.514 1.00 0.00 H new ATOM 0 HB2 PRO A 104 20.113 -2.704 -27.178 1.00 0.00 H new ATOM 0 HB3 PRO A 104 18.777 -3.766 -26.779 1.00 0.00 H new ATOM 0 HG2 PRO A 104 20.837 -2.536 -24.875 1.00 0.00 H new ATOM 0 HG3 PRO A 104 19.097 -2.606 -24.681 1.00 0.00 H new ATOM 0 HD2 PRO A 104 20.764 -4.477 -23.525 1.00 0.00 H new ATOM 0 HD3 PRO A 104 19.125 -4.868 -24.006 1.00 0.00 H new ATOM 1558 N ASP A 105 23.080 -4.207 -26.093 1.00 0.00 N ATOM 1559 CA ASP A 105 24.412 -3.625 -26.315 1.00 0.00 C ATOM 1560 C ASP A 105 25.344 -4.490 -27.179 1.00 0.00 C ATOM 1561 O ASP A 105 26.103 -3.961 -27.995 1.00 0.00 O ATOM 1562 CB ASP A 105 25.072 -3.293 -24.978 1.00 0.00 C ATOM 1563 CG ASP A 105 26.389 -2.524 -25.199 1.00 0.00 C ATOM 1564 OD1 ASP A 105 26.335 -1.356 -25.652 1.00 0.00 O ATOM 1565 OD2 ASP A 105 27.474 -3.079 -24.899 1.00 0.00 O ATOM 0 H ASP A 105 22.920 -4.507 -25.131 1.00 0.00 H new ATOM 0 HA ASP A 105 24.249 -2.712 -26.887 1.00 0.00 H new ATOM 0 HB2 ASP A 105 24.393 -2.695 -24.370 1.00 0.00 H new ATOM 0 HB3 ASP A 105 25.269 -4.212 -24.426 1.00 0.00 H new ATOM 1570 N GLY A 106 25.247 -5.816 -27.065 1.00 0.00 N ATOM 1571 CA GLY A 106 25.934 -6.754 -27.960 1.00 0.00 C ATOM 1572 C GLY A 106 25.326 -6.825 -29.373 1.00 0.00 C ATOM 1573 O GLY A 106 25.912 -7.454 -30.256 1.00 0.00 O ATOM 0 H GLY A 106 24.687 -6.273 -26.346 1.00 0.00 H new ATOM 0 HA2 GLY A 106 26.982 -6.464 -28.040 1.00 0.00 H new ATOM 0 HA3 GLY A 106 25.912 -7.749 -27.515 1.00 0.00 H new ATOM 1577 N GLN A 107 24.165 -6.191 -29.590 1.00 0.00 N ATOM 1578 CA GLN A 107 23.338 -6.318 -30.791 1.00 0.00 C ATOM 1579 C GLN A 107 23.323 -5.031 -31.648 1.00 0.00 C ATOM 1580 O GLN A 107 24.065 -4.954 -32.630 1.00 0.00 O ATOM 1581 CB GLN A 107 21.930 -6.817 -30.396 1.00 0.00 C ATOM 1582 CG GLN A 107 21.798 -8.337 -30.174 1.00 0.00 C ATOM 1583 CD GLN A 107 22.797 -8.952 -29.190 1.00 0.00 C ATOM 1584 OE1 GLN A 107 23.713 -9.673 -29.566 1.00 0.00 O ATOM 1585 NE2 GLN A 107 22.670 -8.719 -27.904 1.00 0.00 N ATOM 0 H GLN A 107 23.763 -5.551 -28.905 1.00 0.00 H new ATOM 0 HA GLN A 107 23.785 -7.066 -31.446 1.00 0.00 H new ATOM 0 HB2 GLN A 107 21.627 -6.307 -29.482 1.00 0.00 H new ATOM 0 HB3 GLN A 107 21.227 -6.520 -31.174 1.00 0.00 H new ATOM 0 HG2 GLN A 107 20.789 -8.548 -29.819 1.00 0.00 H new ATOM 0 HG3 GLN A 107 21.908 -8.837 -31.136 1.00 0.00 H new ATOM 0 HE21 GLN A 107 21.915 -8.122 -27.566 1.00 0.00 H new ATOM 0 HE22 GLN A 107 23.326 -9.135 -27.243 1.00 0.00 H new ATOM 1594 N SER A 108 22.468 -4.044 -31.332 1.00 0.00 N ATOM 1595 CA SER A 108 22.233 -2.846 -32.166 1.00 0.00 C ATOM 1596 C SER A 108 21.420 -1.774 -31.425 1.00 0.00 C ATOM 1597 O SER A 108 20.615 -2.093 -30.552 1.00 0.00 O ATOM 1598 CB SER A 108 21.485 -3.259 -33.449 1.00 0.00 C ATOM 1599 OG SER A 108 21.036 -2.131 -34.190 1.00 0.00 O ATOM 0 H SER A 108 21.911 -4.053 -30.478 1.00 0.00 H new ATOM 0 HA SER A 108 23.204 -2.414 -32.409 1.00 0.00 H new ATOM 0 HB2 SER A 108 22.142 -3.864 -34.073 1.00 0.00 H new ATOM 0 HB3 SER A 108 20.631 -3.883 -33.186 1.00 0.00 H new ATOM 0 HG SER A 108 20.569 -2.434 -34.996 1.00 0.00 H new ATOM 1605 N LEU A 109 21.539 -0.504 -31.828 1.00 0.00 N ATOM 1606 CA LEU A 109 20.712 0.605 -31.322 1.00 0.00 C ATOM 1607 C LEU A 109 19.228 0.450 -31.697 1.00 0.00 C ATOM 1608 O LEU A 109 18.359 0.831 -30.916 1.00 0.00 O ATOM 1609 CB LEU A 109 21.305 1.951 -31.784 1.00 0.00 C ATOM 1610 CG LEU A 109 22.435 2.478 -30.874 1.00 0.00 C ATOM 1611 CD1 LEU A 109 23.646 1.546 -30.775 1.00 0.00 C ATOM 1612 CD2 LEU A 109 22.922 3.829 -31.398 1.00 0.00 C ATOM 0 H LEU A 109 22.222 -0.210 -32.526 1.00 0.00 H new ATOM 0 HA LEU A 109 20.735 0.581 -30.232 1.00 0.00 H new ATOM 0 HB2 LEU A 109 21.690 1.839 -32.798 1.00 0.00 H new ATOM 0 HB3 LEU A 109 20.508 2.694 -31.825 1.00 0.00 H new ATOM 0 HG LEU A 109 22.001 2.554 -29.877 1.00 0.00 H new ATOM 0 HD11 LEU A 109 24.394 1.990 -30.117 1.00 0.00 H new ATOM 0 HD12 LEU A 109 23.332 0.584 -30.371 1.00 0.00 H new ATOM 0 HD13 LEU A 109 24.075 1.401 -31.766 1.00 0.00 H new ATOM 0 HD21 LEU A 109 23.720 4.202 -30.756 1.00 0.00 H new ATOM 0 HD22 LEU A 109 23.299 3.711 -32.414 1.00 0.00 H new ATOM 0 HD23 LEU A 109 22.095 4.539 -31.398 1.00 0.00 H new ATOM 1624 N GLU A 110 18.903 -0.224 -32.801 1.00 0.00 N ATOM 1625 CA GLU A 110 17.511 -0.595 -33.102 1.00 0.00 C ATOM 1626 C GLU A 110 17.010 -1.728 -32.189 1.00 0.00 C ATOM 1627 O GLU A 110 15.824 -1.792 -31.863 1.00 0.00 O ATOM 1628 CB GLU A 110 17.354 -0.939 -34.590 1.00 0.00 C ATOM 1629 CG GLU A 110 17.627 0.262 -35.516 1.00 0.00 C ATOM 1630 CD GLU A 110 16.642 1.427 -35.276 1.00 0.00 C ATOM 1631 OE1 GLU A 110 15.467 1.326 -35.709 1.00 0.00 O ATOM 1632 OE2 GLU A 110 17.029 2.448 -34.658 1.00 0.00 O ATOM 0 H GLU A 110 19.579 -0.525 -33.503 1.00 0.00 H new ATOM 0 HA GLU A 110 16.879 0.268 -32.893 1.00 0.00 H new ATOM 0 HB2 GLU A 110 18.037 -1.750 -34.844 1.00 0.00 H new ATOM 0 HB3 GLU A 110 16.343 -1.306 -34.768 1.00 0.00 H new ATOM 0 HG2 GLU A 110 18.647 0.614 -35.359 1.00 0.00 H new ATOM 0 HG3 GLU A 110 17.558 -0.061 -36.555 1.00 0.00 H new ATOM 1639 N VAL A 111 17.913 -2.568 -31.666 1.00 0.00 N ATOM 1640 CA VAL A 111 17.585 -3.544 -30.612 1.00 0.00 C ATOM 1641 C VAL A 111 17.440 -2.828 -29.267 1.00 0.00 C ATOM 1642 O VAL A 111 16.544 -3.194 -28.518 1.00 0.00 O ATOM 1643 CB VAL A 111 18.548 -4.750 -30.604 1.00 0.00 C ATOM 1644 CG1 VAL A 111 18.210 -5.755 -29.495 1.00 0.00 C ATOM 1645 CG2 VAL A 111 18.435 -5.504 -31.938 1.00 0.00 C ATOM 0 H VAL A 111 18.890 -2.592 -31.959 1.00 0.00 H new ATOM 0 HA VAL A 111 16.616 -3.993 -30.829 1.00 0.00 H new ATOM 0 HB VAL A 111 19.550 -4.352 -30.440 1.00 0.00 H new ATOM 0 HG11 VAL A 111 18.915 -6.586 -29.530 1.00 0.00 H new ATOM 0 HG12 VAL A 111 18.277 -5.263 -28.525 1.00 0.00 H new ATOM 0 HG13 VAL A 111 17.198 -6.132 -29.642 1.00 0.00 H new ATOM 0 HG21 VAL A 111 19.115 -6.356 -31.933 1.00 0.00 H new ATOM 0 HG22 VAL A 111 17.412 -5.857 -32.071 1.00 0.00 H new ATOM 0 HG23 VAL A 111 18.698 -4.835 -32.757 1.00 0.00 H new ATOM 1655 N PHE A 112 18.186 -1.751 -28.972 1.00 0.00 N ATOM 1656 CA PHE A 112 17.902 -0.900 -27.793 1.00 0.00 C ATOM 1657 C PHE A 112 16.480 -0.326 -27.902 1.00 0.00 C ATOM 1658 O PHE A 112 15.711 -0.424 -26.949 1.00 0.00 O ATOM 1659 CB PHE A 112 18.913 0.255 -27.639 1.00 0.00 C ATOM 1660 CG PHE A 112 20.212 -0.034 -26.905 1.00 0.00 C ATOM 1661 CD1 PHE A 112 20.298 0.179 -25.517 1.00 0.00 C ATOM 1662 CD2 PHE A 112 21.364 -0.429 -27.609 1.00 0.00 C ATOM 1663 CE1 PHE A 112 21.522 0.013 -24.845 1.00 0.00 C ATOM 1664 CE2 PHE A 112 22.590 -0.583 -26.944 1.00 0.00 C ATOM 1665 CZ PHE A 112 22.671 -0.363 -25.560 1.00 0.00 C ATOM 0 H PHE A 112 18.986 -1.446 -29.526 1.00 0.00 H new ATOM 0 HA PHE A 112 17.992 -1.531 -26.909 1.00 0.00 H new ATOM 0 HB2 PHE A 112 19.165 0.615 -28.637 1.00 0.00 H new ATOM 0 HB3 PHE A 112 18.411 1.073 -27.122 1.00 0.00 H new ATOM 0 HD1 PHE A 112 19.418 0.472 -24.964 1.00 0.00 H new ATOM 0 HD2 PHE A 112 21.304 -0.615 -28.671 1.00 0.00 H new ATOM 0 HE1 PHE A 112 21.579 0.175 -23.779 1.00 0.00 H new ATOM 0 HE2 PHE A 112 23.472 -0.871 -27.497 1.00 0.00 H new ATOM 0 HZ PHE A 112 23.614 -0.482 -25.047 1.00 0.00 H new ATOM 1675 N ARG A 113 16.076 0.173 -29.080 1.00 0.00 N ATOM 1676 CA ARG A 113 14.705 0.682 -29.321 1.00 0.00 C ATOM 1677 C ARG A 113 13.617 -0.399 -29.259 1.00 0.00 C ATOM 1678 O ARG A 113 12.481 -0.098 -28.898 1.00 0.00 O ATOM 1679 CB ARG A 113 14.632 1.434 -30.663 1.00 0.00 C ATOM 1680 CG ARG A 113 15.454 2.723 -30.614 1.00 0.00 C ATOM 1681 CD ARG A 113 15.198 3.597 -31.840 1.00 0.00 C ATOM 1682 NE ARG A 113 15.817 4.919 -31.661 1.00 0.00 N ATOM 1683 CZ ARG A 113 16.678 5.535 -32.447 1.00 0.00 C ATOM 1684 NH1 ARG A 113 17.166 5.011 -33.539 1.00 0.00 N ATOM 1685 NH2 ARG A 113 17.084 6.722 -32.108 1.00 0.00 N ATOM 0 H ARG A 113 16.685 0.238 -29.896 1.00 0.00 H new ATOM 0 HA ARG A 113 14.498 1.369 -28.500 1.00 0.00 H new ATOM 0 HB2 ARG A 113 15.001 0.793 -31.464 1.00 0.00 H new ATOM 0 HB3 ARG A 113 13.594 1.669 -30.896 1.00 0.00 H new ATOM 0 HG2 ARG A 113 15.206 3.280 -29.711 1.00 0.00 H new ATOM 0 HG3 ARG A 113 16.514 2.478 -30.556 1.00 0.00 H new ATOM 0 HD2 ARG A 113 15.603 3.115 -32.730 1.00 0.00 H new ATOM 0 HD3 ARG A 113 14.125 3.708 -31.998 1.00 0.00 H new ATOM 0 HE ARG A 113 15.545 5.426 -30.819 1.00 0.00 H new ATOM 0 HH11 ARG A 113 16.883 4.074 -33.825 1.00 0.00 H new ATOM 0 HH12 ARG A 113 17.830 5.539 -34.106 1.00 0.00 H new ATOM 0 HH21 ARG A 113 16.737 7.155 -31.252 1.00 0.00 H new ATOM 0 HH22 ARG A 113 17.750 7.221 -32.698 1.00 0.00 H new ATOM 1699 N THR A 114 13.965 -1.658 -29.519 1.00 0.00 N ATOM 1700 CA THR A 114 13.071 -2.807 -29.309 1.00 0.00 C ATOM 1701 C THR A 114 12.976 -3.179 -27.828 1.00 0.00 C ATOM 1702 O THR A 114 11.883 -3.226 -27.263 1.00 0.00 O ATOM 1703 CB THR A 114 13.510 -4.018 -30.154 1.00 0.00 C ATOM 1704 OG1 THR A 114 13.532 -3.682 -31.530 1.00 0.00 O ATOM 1705 CG2 THR A 114 12.527 -5.177 -29.997 1.00 0.00 C ATOM 0 H THR A 114 14.882 -1.917 -29.884 1.00 0.00 H new ATOM 0 HA THR A 114 12.076 -2.510 -29.640 1.00 0.00 H new ATOM 0 HB THR A 114 14.502 -4.306 -29.806 1.00 0.00 H new ATOM 0 HG1 THR A 114 14.268 -3.058 -31.703 1.00 0.00 H new ATOM 0 HG21 THR A 114 12.859 -6.020 -30.603 1.00 0.00 H new ATOM 0 HG22 THR A 114 12.483 -5.478 -28.950 1.00 0.00 H new ATOM 0 HG23 THR A 114 11.537 -4.861 -30.325 1.00 0.00 H new ATOM 1713 N VAL A 115 14.119 -3.409 -27.173 1.00 0.00 N ATOM 1714 CA VAL A 115 14.223 -3.869 -25.773 1.00 0.00 C ATOM 1715 C VAL A 115 13.680 -2.826 -24.805 1.00 0.00 C ATOM 1716 O VAL A 115 12.996 -3.208 -23.862 1.00 0.00 O ATOM 1717 CB VAL A 115 15.671 -4.310 -25.442 1.00 0.00 C ATOM 1718 CG1 VAL A 115 15.852 -4.653 -23.959 1.00 0.00 C ATOM 1719 CG2 VAL A 115 16.047 -5.565 -26.241 1.00 0.00 C ATOM 0 H VAL A 115 15.030 -3.277 -27.612 1.00 0.00 H new ATOM 0 HA VAL A 115 13.594 -4.751 -25.651 1.00 0.00 H new ATOM 0 HB VAL A 115 16.309 -3.465 -25.702 1.00 0.00 H new ATOM 0 HG11 VAL A 115 16.883 -4.956 -23.779 1.00 0.00 H new ATOM 0 HG12 VAL A 115 15.620 -3.778 -23.352 1.00 0.00 H new ATOM 0 HG13 VAL A 115 15.182 -5.469 -23.690 1.00 0.00 H new ATOM 0 HG21 VAL A 115 17.067 -5.860 -25.996 1.00 0.00 H new ATOM 0 HG22 VAL A 115 15.364 -6.376 -25.988 1.00 0.00 H new ATOM 0 HG23 VAL A 115 15.977 -5.352 -27.308 1.00 0.00 H new ATOM 1729 N ARG A 116 13.844 -1.525 -25.077 1.00 0.00 N ATOM 1730 CA ARG A 116 13.261 -0.459 -24.237 1.00 0.00 C ATOM 1731 C ARG A 116 11.743 -0.577 -24.124 1.00 0.00 C ATOM 1732 O ARG A 116 11.205 -0.559 -23.028 1.00 0.00 O ATOM 1733 CB ARG A 116 13.754 0.929 -24.706 1.00 0.00 C ATOM 1734 CG ARG A 116 13.093 1.550 -25.946 1.00 0.00 C ATOM 1735 CD ARG A 116 13.681 2.958 -26.183 1.00 0.00 C ATOM 1736 NE ARG A 116 13.338 3.628 -27.467 1.00 0.00 N ATOM 1737 CZ ARG A 116 12.210 3.738 -28.151 1.00 0.00 C ATOM 1738 NH1 ARG A 116 11.092 3.153 -27.832 1.00 0.00 N ATOM 1739 NH2 ARG A 116 12.203 4.488 -29.209 1.00 0.00 N ATOM 0 H ARG A 116 14.377 -1.179 -25.875 1.00 0.00 H new ATOM 0 HA ARG A 116 13.620 -0.586 -23.216 1.00 0.00 H new ATOM 0 HB2 ARG A 116 13.628 1.625 -23.877 1.00 0.00 H new ATOM 0 HB3 ARG A 116 14.824 0.855 -24.900 1.00 0.00 H new ATOM 0 HG2 ARG A 116 13.264 0.920 -26.819 1.00 0.00 H new ATOM 0 HG3 ARG A 116 12.014 1.612 -25.805 1.00 0.00 H new ATOM 0 HD2 ARG A 116 13.354 3.603 -25.367 1.00 0.00 H new ATOM 0 HD3 ARG A 116 14.767 2.887 -26.118 1.00 0.00 H new ATOM 0 HE ARG A 116 14.130 4.096 -27.908 1.00 0.00 H new ATOM 0 HH11 ARG A 116 11.045 2.561 -27.003 1.00 0.00 H new ATOM 0 HH12 ARG A 116 10.263 3.287 -28.411 1.00 0.00 H new ATOM 0 HH21 ARG A 116 13.053 4.975 -29.495 1.00 0.00 H new ATOM 0 HH22 ARG A 116 11.348 4.591 -29.755 1.00 0.00 H new ATOM 1753 N GLY A 117 11.064 -0.828 -25.243 1.00 0.00 N ATOM 1754 CA GLY A 117 9.611 -1.025 -25.273 1.00 0.00 C ATOM 1755 C GLY A 117 9.183 -2.355 -24.651 1.00 0.00 C ATOM 1756 O GLY A 117 8.132 -2.416 -24.022 1.00 0.00 O ATOM 0 H GLY A 117 11.506 -0.901 -26.159 1.00 0.00 H new ATOM 0 HA2 GLY A 117 9.126 -0.207 -24.740 1.00 0.00 H new ATOM 0 HA3 GLY A 117 9.264 -0.983 -26.305 1.00 0.00 H new ATOM 1760 N GLN A 118 10.032 -3.392 -24.716 1.00 0.00 N ATOM 1761 CA GLN A 118 9.773 -4.664 -24.028 1.00 0.00 C ATOM 1762 C GLN A 118 9.842 -4.470 -22.513 1.00 0.00 C ATOM 1763 O GLN A 118 8.883 -4.766 -21.814 1.00 0.00 O ATOM 1764 CB GLN A 118 10.705 -5.792 -24.513 1.00 0.00 C ATOM 1765 CG GLN A 118 10.724 -6.104 -26.024 1.00 0.00 C ATOM 1766 CD GLN A 118 9.410 -5.837 -26.759 1.00 0.00 C ATOM 1767 OE1 GLN A 118 8.438 -6.572 -26.638 1.00 0.00 O ATOM 1768 NE2 GLN A 118 9.328 -4.770 -27.531 1.00 0.00 N ATOM 0 H GLN A 118 10.907 -3.373 -25.240 1.00 0.00 H new ATOM 0 HA GLN A 118 8.762 -4.983 -24.282 1.00 0.00 H new ATOM 0 HB2 GLN A 118 11.721 -5.542 -24.209 1.00 0.00 H new ATOM 0 HB3 GLN A 118 10.430 -6.705 -23.985 1.00 0.00 H new ATOM 0 HG2 GLN A 118 11.510 -5.512 -26.491 1.00 0.00 H new ATOM 0 HG3 GLN A 118 10.991 -7.152 -26.159 1.00 0.00 H new ATOM 0 HE21 GLN A 118 10.134 -4.154 -27.636 1.00 0.00 H new ATOM 0 HE22 GLN A 118 8.459 -4.562 -28.022 1.00 0.00 H new ATOM 1777 N VAL A 119 10.917 -3.864 -22.003 1.00 0.00 N ATOM 1778 CA VAL A 119 11.045 -3.511 -20.571 1.00 0.00 C ATOM 1779 C VAL A 119 9.896 -2.606 -20.129 1.00 0.00 C ATOM 1780 O VAL A 119 9.286 -2.874 -19.097 1.00 0.00 O ATOM 1781 CB VAL A 119 12.398 -2.839 -20.281 1.00 0.00 C ATOM 1782 CG1 VAL A 119 12.545 -2.405 -18.817 1.00 0.00 C ATOM 1783 CG2 VAL A 119 13.563 -3.792 -20.555 1.00 0.00 C ATOM 0 H VAL A 119 11.727 -3.601 -22.564 1.00 0.00 H new ATOM 0 HA VAL A 119 10.997 -4.437 -19.998 1.00 0.00 H new ATOM 0 HB VAL A 119 12.423 -1.969 -20.938 1.00 0.00 H new ATOM 0 HG11 VAL A 119 13.519 -1.937 -18.672 1.00 0.00 H new ATOM 0 HG12 VAL A 119 11.759 -1.692 -18.568 1.00 0.00 H new ATOM 0 HG13 VAL A 119 12.461 -3.277 -18.169 1.00 0.00 H new ATOM 0 HG21 VAL A 119 14.505 -3.287 -20.340 1.00 0.00 H new ATOM 0 HG22 VAL A 119 13.470 -4.672 -19.919 1.00 0.00 H new ATOM 0 HG23 VAL A 119 13.545 -4.097 -21.601 1.00 0.00 H new ATOM 1793 N LYS A 120 9.536 -1.600 -20.937 1.00 0.00 N ATOM 1794 CA LYS A 120 8.389 -0.716 -20.684 1.00 0.00 C ATOM 1795 C LYS A 120 7.099 -1.505 -20.502 1.00 0.00 C ATOM 1796 O LYS A 120 6.429 -1.279 -19.509 1.00 0.00 O ATOM 1797 CB LYS A 120 8.285 0.340 -21.798 1.00 0.00 C ATOM 1798 CG LYS A 120 7.235 1.431 -21.517 1.00 0.00 C ATOM 1799 CD LYS A 120 5.885 1.180 -22.208 1.00 0.00 C ATOM 1800 CE LYS A 120 4.942 2.362 -21.933 1.00 0.00 C ATOM 1801 NZ LYS A 120 3.639 2.213 -22.641 1.00 0.00 N ATOM 0 H LYS A 120 10.039 -1.374 -21.795 1.00 0.00 H new ATOM 0 HA LYS A 120 8.552 -0.191 -19.743 1.00 0.00 H new ATOM 0 HB2 LYS A 120 9.259 0.811 -21.933 1.00 0.00 H new ATOM 0 HB3 LYS A 120 8.038 -0.157 -22.736 1.00 0.00 H new ATOM 0 HG2 LYS A 120 7.075 1.501 -20.441 1.00 0.00 H new ATOM 0 HG3 LYS A 120 7.627 2.394 -21.844 1.00 0.00 H new ATOM 0 HD2 LYS A 120 6.031 1.059 -23.281 1.00 0.00 H new ATOM 0 HD3 LYS A 120 5.442 0.254 -21.840 1.00 0.00 H new ATOM 0 HE2 LYS A 120 4.765 2.442 -20.861 1.00 0.00 H new ATOM 0 HE3 LYS A 120 5.421 3.289 -22.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 3.257 3.154 -22.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 3.781 1.676 -23.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 2.968 1.705 -22.030 1.00 0.00 H new ATOM 1815 N GLU A 121 6.765 -2.453 -21.378 1.00 0.00 N ATOM 1816 CA GLU A 121 5.529 -3.247 -21.230 1.00 0.00 C ATOM 1817 C GLU A 121 5.595 -4.277 -20.092 1.00 0.00 C ATOM 1818 O GLU A 121 4.569 -4.541 -19.463 1.00 0.00 O ATOM 1819 CB GLU A 121 5.070 -3.898 -22.547 1.00 0.00 C ATOM 1820 CG GLU A 121 5.991 -4.984 -23.116 1.00 0.00 C ATOM 1821 CD GLU A 121 5.213 -6.140 -23.771 1.00 0.00 C ATOM 1822 OE1 GLU A 121 4.498 -5.917 -24.778 1.00 0.00 O ATOM 1823 OE2 GLU A 121 5.325 -7.285 -23.264 1.00 0.00 O ATOM 0 H GLU A 121 7.325 -2.695 -22.196 1.00 0.00 H new ATOM 0 HA GLU A 121 4.767 -2.520 -20.948 1.00 0.00 H new ATOM 0 HB2 GLU A 121 4.083 -4.332 -22.390 1.00 0.00 H new ATOM 0 HB3 GLU A 121 4.958 -3.115 -23.297 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.660 -4.538 -23.852 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.617 -5.380 -22.316 1.00 0.00 H new ATOM 1830 N ARG A 122 6.784 -4.812 -19.763 1.00 0.00 N ATOM 1831 CA ARG A 122 6.948 -5.683 -18.581 1.00 0.00 C ATOM 1832 C ARG A 122 6.651 -4.891 -17.303 1.00 0.00 C ATOM 1833 O ARG A 122 5.785 -5.263 -16.515 1.00 0.00 O ATOM 1834 CB ARG A 122 8.338 -6.349 -18.493 1.00 0.00 C ATOM 1835 CG ARG A 122 8.932 -7.119 -19.686 1.00 0.00 C ATOM 1836 CD ARG A 122 7.950 -7.843 -20.613 1.00 0.00 C ATOM 1837 NE ARG A 122 7.283 -8.966 -19.918 1.00 0.00 N ATOM 1838 CZ ARG A 122 6.193 -9.616 -20.298 1.00 0.00 C ATOM 1839 NH1 ARG A 122 5.478 -9.275 -21.329 1.00 0.00 N ATOM 1840 NH2 ARG A 122 5.783 -10.644 -19.613 1.00 0.00 N ATOM 0 H ARG A 122 7.642 -4.659 -20.294 1.00 0.00 H new ATOM 0 HA ARG A 122 6.230 -6.496 -18.690 1.00 0.00 H new ATOM 0 HB2 ARG A 122 9.050 -5.565 -18.234 1.00 0.00 H new ATOM 0 HB3 ARG A 122 8.306 -7.041 -17.652 1.00 0.00 H new ATOM 0 HG2 ARG A 122 9.509 -6.417 -20.288 1.00 0.00 H new ATOM 0 HG3 ARG A 122 9.634 -7.856 -19.296 1.00 0.00 H new ATOM 0 HD2 ARG A 122 7.200 -7.139 -20.973 1.00 0.00 H new ATOM 0 HD3 ARG A 122 8.481 -8.218 -21.488 1.00 0.00 H new ATOM 0 HE ARG A 122 7.712 -9.275 -19.046 1.00 0.00 H new ATOM 0 HH11 ARG A 122 5.748 -8.469 -21.893 1.00 0.00 H new ATOM 0 HH12 ARG A 122 4.647 -9.814 -21.574 1.00 0.00 H new ATOM 0 HH21 ARG A 122 6.300 -10.946 -18.787 1.00 0.00 H new ATOM 0 HH22 ARG A 122 4.944 -11.148 -19.902 1.00 0.00 H new ATOM 1854 N VAL A 123 7.310 -3.738 -17.155 1.00 0.00 N ATOM 1855 CA VAL A 123 7.053 -2.749 -16.098 1.00 0.00 C ATOM 1856 C VAL A 123 5.598 -2.270 -16.083 1.00 0.00 C ATOM 1857 O VAL A 123 5.012 -2.193 -15.011 1.00 0.00 O ATOM 1858 CB VAL A 123 8.026 -1.579 -16.291 1.00 0.00 C ATOM 1859 CG1 VAL A 123 7.693 -0.354 -15.455 1.00 0.00 C ATOM 1860 CG2 VAL A 123 9.465 -2.000 -15.943 1.00 0.00 C ATOM 0 H VAL A 123 8.061 -3.456 -17.786 1.00 0.00 H new ATOM 0 HA VAL A 123 7.217 -3.217 -15.127 1.00 0.00 H new ATOM 0 HB VAL A 123 7.931 -1.310 -17.343 1.00 0.00 H new ATOM 0 HG11 VAL A 123 8.427 0.429 -15.648 1.00 0.00 H new ATOM 0 HG12 VAL A 123 6.699 0.007 -15.719 1.00 0.00 H new ATOM 0 HG13 VAL A 123 7.714 -0.618 -14.398 1.00 0.00 H new ATOM 0 HG21 VAL A 123 10.137 -1.154 -16.088 1.00 0.00 H new ATOM 0 HG22 VAL A 123 9.508 -2.324 -14.903 1.00 0.00 H new ATOM 0 HG23 VAL A 123 9.771 -2.821 -16.592 1.00 0.00 H new ATOM 1870 N GLU A 124 4.977 -1.986 -17.231 1.00 0.00 N ATOM 1871 CA GLU A 124 3.581 -1.565 -17.308 1.00 0.00 C ATOM 1872 C GLU A 124 2.634 -2.645 -16.769 1.00 0.00 C ATOM 1873 O GLU A 124 1.775 -2.331 -15.946 1.00 0.00 O ATOM 1874 CB GLU A 124 3.224 -1.209 -18.761 1.00 0.00 C ATOM 1875 CG GLU A 124 2.186 -0.097 -18.793 1.00 0.00 C ATOM 1876 CD GLU A 124 1.523 0.007 -20.179 1.00 0.00 C ATOM 1877 OE1 GLU A 124 2.212 0.399 -21.152 1.00 0.00 O ATOM 1878 OE2 GLU A 124 0.312 -0.302 -20.304 1.00 0.00 O ATOM 0 H GLU A 124 5.436 -2.043 -18.140 1.00 0.00 H new ATOM 0 HA GLU A 124 3.457 -0.682 -16.681 1.00 0.00 H new ATOM 0 HB2 GLU A 124 4.120 -0.895 -19.296 1.00 0.00 H new ATOM 0 HB3 GLU A 124 2.839 -2.090 -19.274 1.00 0.00 H new ATOM 0 HG2 GLU A 124 1.425 -0.285 -18.036 1.00 0.00 H new ATOM 0 HG3 GLU A 124 2.659 0.852 -18.541 1.00 0.00 H new ATOM 1885 N ASN A 125 2.822 -3.915 -17.159 1.00 0.00 N ATOM 1886 CA ASN A 125 1.997 -5.007 -16.633 1.00 0.00 C ATOM 1887 C ASN A 125 2.233 -5.210 -15.127 1.00 0.00 C ATOM 1888 O ASN A 125 1.275 -5.406 -14.379 1.00 0.00 O ATOM 1889 CB ASN A 125 2.138 -6.283 -17.499 1.00 0.00 C ATOM 1890 CG ASN A 125 3.096 -7.359 -16.988 1.00 0.00 C ATOM 1891 OD1 ASN A 125 2.980 -7.874 -15.883 1.00 0.00 O ATOM 1892 ND2 ASN A 125 4.039 -7.787 -17.794 1.00 0.00 N ATOM 0 H ASN A 125 3.532 -4.207 -17.831 1.00 0.00 H new ATOM 0 HA ASN A 125 0.945 -4.732 -16.713 1.00 0.00 H new ATOM 0 HB2 ASN A 125 1.150 -6.731 -17.608 1.00 0.00 H new ATOM 0 HB3 ASN A 125 2.463 -5.983 -18.495 1.00 0.00 H new ATOM 0 HD21 ASN A 125 4.662 -8.538 -17.497 1.00 0.00 H new ATOM 0 HD22 ASN A 125 4.149 -7.369 -18.718 1.00 0.00 H new ATOM 1899 N LEU A 126 3.487 -5.075 -14.673 1.00 0.00 N ATOM 1900 CA LEU A 126 3.851 -5.125 -13.261 1.00 0.00 C ATOM 1901 C LEU A 126 3.122 -4.043 -12.472 1.00 0.00 C ATOM 1902 O LEU A 126 2.483 -4.354 -11.476 1.00 0.00 O ATOM 1903 CB LEU A 126 5.383 -5.042 -13.135 1.00 0.00 C ATOM 1904 CG LEU A 126 6.011 -5.111 -11.729 1.00 0.00 C ATOM 1905 CD1 LEU A 126 5.996 -3.774 -10.985 1.00 0.00 C ATOM 1906 CD2 LEU A 126 5.389 -6.185 -10.841 1.00 0.00 C ATOM 0 H LEU A 126 4.285 -4.926 -15.291 1.00 0.00 H new ATOM 0 HA LEU A 126 3.534 -6.072 -12.824 1.00 0.00 H new ATOM 0 HB2 LEU A 126 5.809 -5.852 -13.728 1.00 0.00 H new ATOM 0 HB3 LEU A 126 5.703 -4.107 -13.595 1.00 0.00 H new ATOM 0 HG LEU A 126 7.049 -5.381 -11.925 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.454 -3.899 -10.004 1.00 0.00 H new ATOM 0 HD12 LEU A 126 6.557 -3.034 -11.556 1.00 0.00 H new ATOM 0 HD13 LEU A 126 4.967 -3.436 -10.865 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.877 -6.179 -9.867 1.00 0.00 H new ATOM 0 HD22 LEU A 126 4.325 -5.982 -10.715 1.00 0.00 H new ATOM 0 HD23 LEU A 126 5.519 -7.162 -11.306 1.00 0.00 H new ATOM 1918 N ILE A 127 3.173 -2.787 -12.913 1.00 0.00 N ATOM 1919 CA ILE A 127 2.548 -1.705 -12.144 1.00 0.00 C ATOM 1920 C ILE A 127 1.015 -1.797 -12.208 1.00 0.00 C ATOM 1921 O ILE A 127 0.356 -1.722 -11.173 1.00 0.00 O ATOM 1922 CB ILE A 127 3.089 -0.345 -12.615 1.00 0.00 C ATOM 1923 CG1 ILE A 127 4.605 -0.262 -12.315 1.00 0.00 C ATOM 1924 CG2 ILE A 127 2.369 0.836 -11.931 1.00 0.00 C ATOM 1925 CD1 ILE A 127 5.338 0.744 -13.200 1.00 0.00 C ATOM 0 H ILE A 127 3.628 -2.495 -13.778 1.00 0.00 H new ATOM 0 HA ILE A 127 2.813 -1.810 -11.092 1.00 0.00 H new ATOM 0 HB ILE A 127 2.906 -0.271 -13.687 1.00 0.00 H new ATOM 0 HG12 ILE A 127 4.748 0.012 -11.270 1.00 0.00 H new ATOM 0 HG13 ILE A 127 5.050 -1.248 -12.450 1.00 0.00 H new ATOM 0 HG21 ILE A 127 2.785 1.776 -12.295 1.00 0.00 H new ATOM 0 HG22 ILE A 127 1.305 0.796 -12.162 1.00 0.00 H new ATOM 0 HG23 ILE A 127 2.508 0.771 -10.852 1.00 0.00 H new ATOM 0 HD11 ILE A 127 6.396 0.754 -12.940 1.00 0.00 H new ATOM 0 HD12 ILE A 127 5.224 0.459 -14.246 1.00 0.00 H new ATOM 0 HD13 ILE A 127 4.917 1.738 -13.047 1.00 0.00 H new ATOM 1937 N ALA A 128 0.439 -2.044 -13.390 1.00 0.00 N ATOM 1938 CA ALA A 128 -1.013 -2.071 -13.591 1.00 0.00 C ATOM 1939 C ALA A 128 -1.744 -3.161 -12.775 1.00 0.00 C ATOM 1940 O ALA A 128 -2.935 -3.007 -12.490 1.00 0.00 O ATOM 1941 CB ALA A 128 -1.291 -2.227 -15.090 1.00 0.00 C ATOM 0 H ALA A 128 0.972 -2.232 -14.239 1.00 0.00 H new ATOM 0 HA ALA A 128 -1.414 -1.129 -13.217 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -2.367 -2.249 -15.260 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -0.856 -1.386 -15.630 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.848 -3.157 -15.447 1.00 0.00 H new ATOM 1947 N LYS A 129 -1.047 -4.235 -12.375 1.00 0.00 N ATOM 1948 CA LYS A 129 -1.592 -5.308 -11.521 1.00 0.00 C ATOM 1949 C LYS A 129 -1.326 -5.134 -10.016 1.00 0.00 C ATOM 1950 O LYS A 129 -1.880 -5.910 -9.236 1.00 0.00 O ATOM 1951 CB LYS A 129 -1.174 -6.686 -12.073 1.00 0.00 C ATOM 1952 CG LYS A 129 0.270 -7.084 -11.749 1.00 0.00 C ATOM 1953 CD LYS A 129 0.736 -8.223 -12.666 1.00 0.00 C ATOM 1954 CE LYS A 129 2.198 -8.568 -12.365 1.00 0.00 C ATOM 1955 NZ LYS A 129 2.796 -9.387 -13.450 1.00 0.00 N ATOM 0 H LYS A 129 -0.073 -4.387 -12.638 1.00 0.00 H new ATOM 0 HA LYS A 129 -2.678 -5.237 -11.577 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -1.846 -7.444 -11.671 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -1.304 -6.685 -13.155 1.00 0.00 H new ATOM 0 HG2 LYS A 129 0.926 -6.222 -11.869 1.00 0.00 H new ATOM 0 HG3 LYS A 129 0.342 -7.396 -10.707 1.00 0.00 H new ATOM 0 HD2 LYS A 129 0.108 -9.101 -12.518 1.00 0.00 H new ATOM 0 HD3 LYS A 129 0.630 -7.928 -13.710 1.00 0.00 H new ATOM 0 HE2 LYS A 129 2.772 -7.650 -12.242 1.00 0.00 H new ATOM 0 HE3 LYS A 129 2.259 -9.111 -11.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 3.708 -9.773 -13.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 2.153 -10.169 -13.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 2.946 -8.793 -14.290 1.00 0.00 H new ATOM 1969 N ILE A 130 -0.526 -4.139 -9.593 1.00 0.00 N ATOM 1970 CA ILE A 130 -0.195 -3.911 -8.163 1.00 0.00 C ATOM 1971 C ILE A 130 -0.570 -2.516 -7.624 1.00 0.00 C ATOM 1972 O ILE A 130 -0.657 -2.350 -6.403 1.00 0.00 O ATOM 1973 CB ILE A 130 1.278 -4.268 -7.847 1.00 0.00 C ATOM 1974 CG1 ILE A 130 2.287 -3.194 -8.309 1.00 0.00 C ATOM 1975 CG2 ILE A 130 1.621 -5.661 -8.400 1.00 0.00 C ATOM 1976 CD1 ILE A 130 3.752 -3.532 -7.998 1.00 0.00 C ATOM 0 H ILE A 130 -0.089 -3.469 -10.226 1.00 0.00 H new ATOM 0 HA ILE A 130 -0.839 -4.602 -7.620 1.00 0.00 H new ATOM 0 HB ILE A 130 1.372 -4.293 -6.761 1.00 0.00 H new ATOM 0 HG12 ILE A 130 2.180 -3.049 -9.384 1.00 0.00 H new ATOM 0 HG13 ILE A 130 2.035 -2.246 -7.833 1.00 0.00 H new ATOM 0 HG21 ILE A 130 2.660 -5.898 -8.170 1.00 0.00 H new ATOM 0 HG22 ILE A 130 0.969 -6.405 -7.942 1.00 0.00 H new ATOM 0 HG23 ILE A 130 1.478 -5.669 -9.480 1.00 0.00 H new ATOM 0 HD11 ILE A 130 4.395 -2.727 -8.355 1.00 0.00 H new ATOM 0 HD12 ILE A 130 3.878 -3.647 -6.921 1.00 0.00 H new ATOM 0 HD13 ILE A 130 4.025 -4.462 -8.497 1.00 0.00 H new ATOM 1988 N SER A 131 -0.807 -1.538 -8.507 1.00 0.00 N ATOM 1989 CA SER A 131 -1.153 -0.140 -8.186 1.00 0.00 C ATOM 1990 C SER A 131 -2.546 0.249 -8.700 1.00 0.00 C ATOM 1991 O SER A 131 -2.790 0.192 -9.929 1.00 0.00 O ATOM 1992 CB SER A 131 -0.092 0.803 -8.754 1.00 0.00 C ATOM 1993 OG SER A 131 1.161 0.554 -8.132 1.00 0.00 O ATOM 1994 OXT SER A 131 -3.402 0.613 -7.861 1.00 0.00 O ATOM 0 H SER A 131 -0.762 -1.703 -9.512 1.00 0.00 H new ATOM 0 HA SER A 131 -1.178 -0.049 -7.100 1.00 0.00 H new ATOM 0 HB2 SER A 131 -0.007 0.662 -9.831 1.00 0.00 H new ATOM 0 HB3 SER A 131 -0.389 1.839 -8.591 1.00 0.00 H new ATOM 0 HG SER A 131 1.881 0.908 -8.694 1.00 0.00 H new TER 2000 SER A 131