USER MOD reduce.3.24.130724 H: found=0, std=0, add=883, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 883 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 13 GLN : amide:sc= -1.35 K(o=-1.4,f=-5.5!) USER MOD Set 1.2: A 54 HIS : no HD1:sc= -0.0144 X(o=-1.4,f=-1.4) USER MOD Set 2.1: A 43 THR OG1 : rot 73:sc= 1.3 USER MOD Set 2.2: A 46 THR OG1 : rot 72:sc= 1.22 USER MOD Set 3.1: A 23 GLN : amide:sc= 0.128 X(o=1.2,f=0.99) USER MOD Set 3.2: A 29 GLN : amide:sc= 1.11 X(o=1.2,f=0.99) USER MOD Single : A 1 MET CE :methyl 162:sc= -0.108 (180deg=-0.526) USER MOD Single : A 1 MET N :NH3+ 160:sc= 1.28 (180deg=1.13) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 167:sc= -0.011 (180deg=-0.173) USER MOD Single : A 4 ASN : amide:sc= -0.165 K(o=-0.17,f=-3.6!) USER MOD Single : A 5 THR OG1 : rot -38:sc= 0.0225 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 142:sc= -0.218 (180deg=-2.39) USER MOD Single : A 22 SER OG : rot -81:sc= 0.508 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 9:sc= 0.778 USER MOD Single : A 32 THR OG1 : rot 27:sc= 0.757 USER MOD Single : A 34 CYS SG : rot 85:sc= 0.199 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00046) USER MOD Single : A 42 CYS SG : rot -155:sc= 0.574 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.291 F(o=-3.5!,f=-0.29) USER MOD Single : A 58 THR OG1 : rot 69:sc= 0.522 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0342 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.354 F(o=-1.3,f=-0.35) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0.498 K(o=0.5,f=-2.8!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.0993 X(o=-0.099,f=-0.27) USER MOD Single : A 94 SER OG : rot 52:sc= 0.0431 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 170:sc=-0.00743 (180deg=-0.118) USER MOD Single : A 108 LYS NZ :NH3+ 164:sc= -0.0473 (180deg=-0.327) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.608 -21.422 13.750 1.00 0.00 N ATOM 2 CA MET A 1 9.279 -22.381 12.673 1.00 0.00 C ATOM 3 C MET A 1 7.778 -22.389 12.397 1.00 0.00 C ATOM 4 O MET A 1 7.336 -21.962 11.335 1.00 0.00 O ATOM 5 CB MET A 1 9.756 -23.788 13.039 1.00 0.00 C ATOM 6 CG MET A 1 9.612 -24.783 11.902 1.00 0.00 C ATOM 7 SD MET A 1 10.513 -24.277 10.425 1.00 0.00 S ATOM 8 CE MET A 1 12.189 -24.191 11.053 1.00 0.00 C ATOM 0 H1 MET A 1 10.536 -21.660 14.155 1.00 0.00 H new ATOM 0 H2 MET A 1 9.638 -20.458 13.360 1.00 0.00 H new ATOM 0 H3 MET A 1 8.882 -21.472 14.493 1.00 0.00 H new ATOM 0 HA MET A 1 9.796 -22.063 11.768 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.802 -23.742 13.343 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.189 -24.144 13.899 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.974 -25.758 12.228 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.556 -24.900 11.657 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.891 -24.208 10.219 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.319 -23.268 11.618 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.378 -25.045 11.704 1.00 0.00 H new ATOM 20 N THR A 2 6.991 -22.866 13.359 1.00 0.00 N ATOM 21 CA THR A 2 5.542 -22.893 13.200 1.00 0.00 C ATOM 22 C THR A 2 4.898 -21.689 13.883 1.00 0.00 C ATOM 23 O THR A 2 3.790 -21.288 13.524 1.00 0.00 O ATOM 24 CB THR A 2 4.916 -24.206 13.730 1.00 0.00 C ATOM 25 OG1 THR A 2 3.488 -24.161 13.594 1.00 0.00 O ATOM 26 CG2 THR A 2 5.285 -24.453 15.184 1.00 0.00 C ATOM 0 H THR A 2 7.329 -23.235 14.248 1.00 0.00 H new ATOM 0 HA THR A 2 5.342 -22.844 12.130 1.00 0.00 H new ATOM 0 HB THR A 2 5.315 -25.028 13.135 1.00 0.00 H new ATOM 0 HG1 THR A 2 3.101 -24.996 13.930 1.00 0.00 H new ATOM 0 HG21 THR A 2 4.828 -25.383 15.522 1.00 0.00 H new ATOM 0 HG22 THR A 2 6.369 -24.526 15.277 1.00 0.00 H new ATOM 0 HG23 THR A 2 4.923 -23.627 15.797 1.00 0.00 H new ATOM 34 N LYS A 3 5.588 -21.113 14.869 1.00 0.00 N ATOM 35 CA LYS A 3 5.141 -19.852 15.454 1.00 0.00 C ATOM 36 C LYS A 3 5.345 -18.751 14.432 1.00 0.00 C ATOM 37 O LYS A 3 4.401 -18.107 13.980 1.00 0.00 O ATOM 38 CB LYS A 3 5.920 -19.497 16.725 1.00 0.00 C ATOM 39 CG LYS A 3 5.831 -20.524 17.840 1.00 0.00 C ATOM 40 CD LYS A 3 6.396 -19.960 19.137 1.00 0.00 C ATOM 41 CE LYS A 3 6.489 -21.015 20.230 1.00 0.00 C ATOM 42 NZ LYS A 3 7.492 -22.067 19.909 1.00 0.00 N ATOM 0 H LYS A 3 6.444 -21.493 15.272 1.00 0.00 H new ATOM 0 HA LYS A 3 4.091 -19.956 15.726 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.969 -19.357 16.463 1.00 0.00 H new ATOM 0 HB3 LYS A 3 5.555 -18.541 17.102 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.792 -20.819 17.988 1.00 0.00 H new ATOM 0 HG3 LYS A 3 6.380 -21.422 17.558 1.00 0.00 H new ATOM 0 HD2 LYS A 3 7.386 -19.545 18.950 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.766 -19.139 19.479 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.755 -20.537 21.173 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.512 -21.477 20.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.684 -22.635 20.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 7.121 -22.683 19.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 8.373 -21.619 19.585 1.00 0.00 H new ATOM 56 N ASN A 4 6.601 -18.553 14.076 1.00 0.00 N ATOM 57 CA ASN A 4 6.978 -17.632 13.024 1.00 0.00 C ATOM 58 C ASN A 4 8.098 -18.249 12.201 1.00 0.00 C ATOM 59 O ASN A 4 8.871 -19.060 12.710 1.00 0.00 O ATOM 60 CB ASN A 4 7.436 -16.286 13.607 1.00 0.00 C ATOM 61 CG ASN A 4 8.694 -16.393 14.463 1.00 0.00 C ATOM 62 OD1 ASN A 4 8.938 -17.405 15.123 1.00 0.00 O ATOM 63 ND2 ASN A 4 9.507 -15.345 14.452 1.00 0.00 N ATOM 0 H ASN A 4 7.391 -19.030 14.512 1.00 0.00 H new ATOM 0 HA ASN A 4 6.110 -17.446 12.391 1.00 0.00 H new ATOM 0 HB2 ASN A 4 7.620 -15.588 12.790 1.00 0.00 H new ATOM 0 HB3 ASN A 4 6.630 -15.866 14.209 1.00 0.00 H new ATOM 0 HD21 ASN A 4 10.366 -15.360 15.002 1.00 0.00 H new ATOM 0 HD22 ASN A 4 9.273 -14.524 13.894 1.00 0.00 H new ATOM 70 N THR A 5 8.173 -17.890 10.935 1.00 0.00 N ATOM 71 CA THR A 5 9.251 -18.351 10.078 1.00 0.00 C ATOM 72 C THR A 5 10.213 -17.200 9.819 1.00 0.00 C ATOM 73 O THR A 5 11.431 -17.380 9.744 1.00 0.00 O ATOM 74 CB THR A 5 8.706 -18.878 8.737 1.00 0.00 C ATOM 75 OG1 THR A 5 7.621 -19.789 8.971 1.00 0.00 O ATOM 76 CG2 THR A 5 9.794 -19.590 7.948 1.00 0.00 C ATOM 0 H THR A 5 7.499 -17.279 10.474 1.00 0.00 H new ATOM 0 HA THR A 5 9.769 -19.168 10.581 1.00 0.00 H new ATOM 0 HB THR A 5 8.354 -18.024 8.159 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.814 -20.331 9.765 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.382 -19.952 7.006 1.00 0.00 H new ATOM 0 HG22 THR A 5 10.610 -18.896 7.745 1.00 0.00 H new ATOM 0 HG23 THR A 5 10.171 -20.433 8.527 1.00 0.00 H new ATOM 84 N ARG A 6 9.639 -16.012 9.716 1.00 0.00 N ATOM 85 CA ARG A 6 10.391 -14.800 9.460 1.00 0.00 C ATOM 86 C ARG A 6 10.214 -13.844 10.637 1.00 0.00 C ATOM 87 O ARG A 6 9.087 -13.594 11.069 1.00 0.00 O ATOM 88 CB ARG A 6 9.890 -14.167 8.158 1.00 0.00 C ATOM 89 CG ARG A 6 10.659 -12.936 7.712 1.00 0.00 C ATOM 90 CD ARG A 6 10.132 -12.424 6.380 1.00 0.00 C ATOM 91 NE ARG A 6 8.732 -12.016 6.466 1.00 0.00 N ATOM 92 CZ ARG A 6 7.795 -12.334 5.569 1.00 0.00 C ATOM 93 NH1 ARG A 6 8.092 -13.085 4.513 1.00 0.00 N ATOM 94 NH2 ARG A 6 6.555 -11.895 5.733 1.00 0.00 N ATOM 0 H ARG A 6 8.634 -15.864 9.808 1.00 0.00 H new ATOM 0 HA ARG A 6 11.452 -15.024 9.352 1.00 0.00 H new ATOM 0 HB2 ARG A 6 9.937 -14.914 7.366 1.00 0.00 H new ATOM 0 HB3 ARG A 6 8.841 -13.898 8.281 1.00 0.00 H new ATOM 0 HG2 ARG A 6 10.573 -12.155 8.467 1.00 0.00 H new ATOM 0 HG3 ARG A 6 11.718 -13.176 7.621 1.00 0.00 H new ATOM 0 HD2 ARG A 6 10.737 -11.578 6.052 1.00 0.00 H new ATOM 0 HD3 ARG A 6 10.237 -13.203 5.625 1.00 0.00 H new ATOM 0 HE ARG A 6 8.451 -11.449 7.266 1.00 0.00 H new ATOM 0 HH11 ARG A 6 9.044 -13.425 4.381 1.00 0.00 H new ATOM 0 HH12 ARG A 6 7.367 -13.321 3.835 1.00 0.00 H new ATOM 0 HH21 ARG A 6 6.321 -11.318 6.541 1.00 0.00 H new ATOM 0 HH22 ARG A 6 5.835 -12.134 5.051 1.00 0.00 H new ATOM 108 N PHE A 7 11.315 -13.325 11.165 1.00 0.00 N ATOM 109 CA PHE A 7 11.261 -12.492 12.363 1.00 0.00 C ATOM 110 C PHE A 7 10.723 -11.091 12.066 1.00 0.00 C ATOM 111 O PHE A 7 10.589 -10.696 10.906 1.00 0.00 O ATOM 112 CB PHE A 7 12.631 -12.423 13.052 1.00 0.00 C ATOM 113 CG PHE A 7 13.794 -12.188 12.128 1.00 0.00 C ATOM 114 CD1 PHE A 7 14.192 -10.902 11.800 1.00 0.00 C ATOM 115 CD2 PHE A 7 14.502 -13.259 11.602 1.00 0.00 C ATOM 116 CE1 PHE A 7 15.272 -10.691 10.963 1.00 0.00 C ATOM 117 CE2 PHE A 7 15.579 -13.052 10.764 1.00 0.00 C ATOM 118 CZ PHE A 7 15.966 -11.766 10.445 1.00 0.00 C ATOM 0 H PHE A 7 12.252 -13.464 10.787 1.00 0.00 H new ATOM 0 HA PHE A 7 10.560 -12.966 13.050 1.00 0.00 H new ATOM 0 HB2 PHE A 7 12.608 -11.625 13.794 1.00 0.00 H new ATOM 0 HB3 PHE A 7 12.797 -13.355 13.592 1.00 0.00 H new ATOM 0 HD1 PHE A 7 13.654 -10.056 12.202 1.00 0.00 H new ATOM 0 HD2 PHE A 7 14.207 -14.267 11.851 1.00 0.00 H new ATOM 0 HE1 PHE A 7 15.573 -9.684 10.714 1.00 0.00 H new ATOM 0 HE2 PHE A 7 16.118 -13.895 10.358 1.00 0.00 H new ATOM 0 HZ PHE A 7 16.810 -11.601 9.792 1.00 0.00 H new ATOM 128 N SER A 8 10.435 -10.353 13.133 1.00 0.00 N ATOM 129 CA SER A 8 9.730 -9.078 13.050 1.00 0.00 C ATOM 130 C SER A 8 10.558 -8.005 12.333 1.00 0.00 C ATOM 131 O SER A 8 11.667 -7.668 12.759 1.00 0.00 O ATOM 132 CB SER A 8 9.374 -8.615 14.464 1.00 0.00 C ATOM 133 OG SER A 8 8.818 -9.683 15.218 1.00 0.00 O ATOM 0 H SER A 8 10.685 -10.623 14.084 1.00 0.00 H new ATOM 0 HA SER A 8 8.824 -9.225 12.462 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.266 -8.237 14.963 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.663 -7.790 14.414 1.00 0.00 H new ATOM 0 HG SER A 8 8.599 -9.367 16.120 1.00 0.00 H new ATOM 139 N PRO A 9 10.016 -7.451 11.232 1.00 0.00 N ATOM 140 CA PRO A 9 10.687 -6.415 10.434 1.00 0.00 C ATOM 141 C PRO A 9 10.813 -5.076 11.164 1.00 0.00 C ATOM 142 O PRO A 9 11.760 -4.325 10.925 1.00 0.00 O ATOM 143 CB PRO A 9 9.785 -6.257 9.199 1.00 0.00 C ATOM 144 CG PRO A 9 8.872 -7.435 9.215 1.00 0.00 C ATOM 145 CD PRO A 9 8.710 -7.810 10.657 1.00 0.00 C ATOM 0 HA PRO A 9 11.712 -6.706 10.203 1.00 0.00 H new ATOM 0 HB2 PRO A 9 9.222 -5.325 9.242 1.00 0.00 H new ATOM 0 HB3 PRO A 9 10.376 -6.231 8.283 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.910 -7.190 8.765 1.00 0.00 H new ATOM 0 HG3 PRO A 9 9.291 -8.262 8.641 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.895 -7.262 11.129 1.00 0.00 H new ATOM 0 HD3 PRO A 9 8.492 -8.871 10.778 1.00 0.00 H new ATOM 153 N GLU A 10 9.869 -4.772 12.050 1.00 0.00 N ATOM 154 CA GLU A 10 9.888 -3.497 12.769 1.00 0.00 C ATOM 155 C GLU A 10 11.109 -3.441 13.683 1.00 0.00 C ATOM 156 O GLU A 10 11.732 -2.394 13.843 1.00 0.00 O ATOM 157 CB GLU A 10 8.588 -3.312 13.565 1.00 0.00 C ATOM 158 CG GLU A 10 8.265 -1.868 13.942 1.00 0.00 C ATOM 159 CD GLU A 10 9.066 -1.350 15.120 1.00 0.00 C ATOM 160 OE1 GLU A 10 9.073 -2.019 16.176 1.00 0.00 O ATOM 161 OE2 GLU A 10 9.658 -0.256 15.008 1.00 0.00 O ATOM 0 H GLU A 10 9.087 -5.383 12.288 1.00 0.00 H new ATOM 0 HA GLU A 10 9.956 -2.679 12.052 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.761 -3.713 12.980 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.650 -3.905 14.477 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.449 -1.227 13.080 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.203 -1.792 14.175 1.00 0.00 H new ATOM 168 N VAL A 11 11.463 -4.590 14.248 1.00 0.00 N ATOM 169 CA VAL A 11 12.655 -4.702 15.079 1.00 0.00 C ATOM 170 C VAL A 11 13.903 -4.351 14.266 1.00 0.00 C ATOM 171 O VAL A 11 14.827 -3.707 14.765 1.00 0.00 O ATOM 172 CB VAL A 11 12.800 -6.124 15.667 1.00 0.00 C ATOM 173 CG1 VAL A 11 14.036 -6.233 16.549 1.00 0.00 C ATOM 174 CG2 VAL A 11 11.554 -6.505 16.451 1.00 0.00 C ATOM 0 H VAL A 11 10.939 -5.459 14.145 1.00 0.00 H new ATOM 0 HA VAL A 11 12.550 -3.999 15.905 1.00 0.00 H new ATOM 0 HB VAL A 11 12.918 -6.819 14.836 1.00 0.00 H new ATOM 0 HG11 VAL A 11 14.110 -7.245 16.948 1.00 0.00 H new ATOM 0 HG12 VAL A 11 14.925 -6.009 15.959 1.00 0.00 H new ATOM 0 HG13 VAL A 11 13.959 -5.523 17.373 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.673 -7.509 16.858 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.407 -5.798 17.267 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.687 -6.482 15.790 1.00 0.00 H new ATOM 184 N ARG A 12 13.907 -4.757 13.001 1.00 0.00 N ATOM 185 CA ARG A 12 15.018 -4.453 12.108 1.00 0.00 C ATOM 186 C ARG A 12 15.044 -2.962 11.788 1.00 0.00 C ATOM 187 O ARG A 12 16.108 -2.350 11.732 1.00 0.00 O ATOM 188 CB ARG A 12 14.918 -5.261 10.811 1.00 0.00 C ATOM 189 CG ARG A 12 14.707 -6.750 11.027 1.00 0.00 C ATOM 190 CD ARG A 12 14.827 -7.530 9.722 1.00 0.00 C ATOM 191 NE ARG A 12 13.965 -7.000 8.663 1.00 0.00 N ATOM 192 CZ ARG A 12 13.465 -7.734 7.668 1.00 0.00 C ATOM 193 NH1 ARG A 12 13.669 -9.046 7.639 1.00 0.00 N ATOM 194 NH2 ARG A 12 12.762 -7.153 6.700 1.00 0.00 N ATOM 0 H ARG A 12 13.155 -5.296 12.572 1.00 0.00 H new ATOM 0 HA ARG A 12 15.943 -4.728 12.615 1.00 0.00 H new ATOM 0 HB2 ARG A 12 14.094 -4.870 10.214 1.00 0.00 H new ATOM 0 HB3 ARG A 12 15.829 -5.114 10.232 1.00 0.00 H new ATOM 0 HG2 ARG A 12 15.441 -7.122 11.742 1.00 0.00 H new ATOM 0 HG3 ARG A 12 13.722 -6.919 11.463 1.00 0.00 H new ATOM 0 HD2 ARG A 12 15.863 -7.509 9.385 1.00 0.00 H new ATOM 0 HD3 ARG A 12 14.572 -8.574 9.903 1.00 0.00 H new ATOM 0 HE ARG A 12 13.733 -6.007 8.688 1.00 0.00 H new ATOM 0 HH11 ARG A 12 14.209 -9.495 8.379 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.285 -9.605 6.877 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.605 -6.145 6.718 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.380 -7.715 5.939 1.00 0.00 H new ATOM 208 N GLN A 13 13.859 -2.382 11.593 1.00 0.00 N ATOM 209 CA GLN A 13 13.740 -0.950 11.334 1.00 0.00 C ATOM 210 C GLN A 13 14.313 -0.156 12.501 1.00 0.00 C ATOM 211 O GLN A 13 15.025 0.830 12.306 1.00 0.00 O ATOM 212 CB GLN A 13 12.276 -0.556 11.104 1.00 0.00 C ATOM 213 CG GLN A 13 11.651 -1.168 9.858 1.00 0.00 C ATOM 214 CD GLN A 13 12.247 -0.637 8.566 1.00 0.00 C ATOM 215 OE1 GLN A 13 13.421 -0.268 8.502 1.00 0.00 O ATOM 216 NE2 GLN A 13 11.436 -0.589 7.524 1.00 0.00 N ATOM 0 H GLN A 13 12.970 -2.882 11.610 1.00 0.00 H new ATOM 0 HA GLN A 13 14.306 -0.719 10.431 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.691 -0.854 11.974 1.00 0.00 H new ATOM 0 HB3 GLN A 13 12.211 0.530 11.033 1.00 0.00 H new ATOM 0 HG2 GLN A 13 11.777 -2.250 9.891 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.579 -0.972 9.863 1.00 0.00 H new ATOM 0 HE21 GLN A 13 10.470 -0.903 7.615 1.00 0.00 H new ATOM 0 HE22 GLN A 13 11.776 -0.238 6.629 1.00 0.00 H new ATOM 225 N ARG A 14 14.000 -0.598 13.716 1.00 0.00 N ATOM 226 CA ARG A 14 14.554 0.014 14.917 1.00 0.00 C ATOM 227 C ARG A 14 16.072 -0.048 14.893 1.00 0.00 C ATOM 228 O ARG A 14 16.743 0.954 15.118 1.00 0.00 O ATOM 229 CB ARG A 14 14.049 -0.692 16.173 1.00 0.00 C ATOM 230 CG ARG A 14 12.556 -0.569 16.397 1.00 0.00 C ATOM 231 CD ARG A 14 12.151 -1.198 17.714 1.00 0.00 C ATOM 232 NE ARG A 14 10.737 -0.995 18.008 1.00 0.00 N ATOM 233 CZ ARG A 14 10.283 -0.516 19.166 1.00 0.00 C ATOM 234 NH1 ARG A 14 11.140 -0.109 20.098 1.00 0.00 N ATOM 235 NH2 ARG A 14 8.977 -0.411 19.376 1.00 0.00 N ATOM 0 H ARG A 14 13.366 -1.377 13.893 1.00 0.00 H new ATOM 0 HA ARG A 14 14.229 1.054 14.936 1.00 0.00 H new ATOM 0 HB2 ARG A 14 14.310 -1.749 16.112 1.00 0.00 H new ATOM 0 HB3 ARG A 14 14.570 -0.284 17.039 1.00 0.00 H new ATOM 0 HG2 ARG A 14 12.269 0.482 16.389 1.00 0.00 H new ATOM 0 HG3 ARG A 14 12.021 -1.052 15.579 1.00 0.00 H new ATOM 0 HD2 ARG A 14 12.365 -2.266 17.686 1.00 0.00 H new ATOM 0 HD3 ARG A 14 12.752 -0.774 18.518 1.00 0.00 H new ATOM 0 HE ARG A 14 10.057 -1.233 17.286 1.00 0.00 H new ATOM 0 HH11 ARG A 14 12.144 -0.164 19.926 1.00 0.00 H new ATOM 0 HH12 ARG A 14 10.793 0.258 20.984 1.00 0.00 H new ATOM 0 HH21 ARG A 14 8.319 -0.697 18.651 1.00 0.00 H new ATOM 0 HH22 ARG A 14 8.631 -0.044 20.263 1.00 0.00 H new ATOM 249 N ALA A 15 16.596 -1.235 14.608 1.00 0.00 N ATOM 250 CA ALA A 15 18.034 -1.453 14.552 1.00 0.00 C ATOM 251 C ALA A 15 18.702 -0.501 13.570 1.00 0.00 C ATOM 252 O ALA A 15 19.630 0.219 13.932 1.00 0.00 O ATOM 253 CB ALA A 15 18.325 -2.897 14.178 1.00 0.00 C ATOM 0 H ALA A 15 16.039 -2.067 14.411 1.00 0.00 H new ATOM 0 HA ALA A 15 18.448 -1.250 15.540 1.00 0.00 H new ATOM 0 HB1 ALA A 15 19.403 -3.052 14.138 1.00 0.00 H new ATOM 0 HB2 ALA A 15 17.890 -3.561 14.925 1.00 0.00 H new ATOM 0 HB3 ALA A 15 17.891 -3.115 13.202 1.00 0.00 H new ATOM 259 N VAL A 16 18.210 -0.487 12.338 1.00 0.00 N ATOM 260 CA VAL A 16 18.781 0.356 11.289 1.00 0.00 C ATOM 261 C VAL A 16 18.727 1.834 11.673 1.00 0.00 C ATOM 262 O VAL A 16 19.728 2.543 11.576 1.00 0.00 O ATOM 263 CB VAL A 16 18.059 0.154 9.939 1.00 0.00 C ATOM 264 CG1 VAL A 16 18.658 1.054 8.865 1.00 0.00 C ATOM 265 CG2 VAL A 16 18.122 -1.306 9.513 1.00 0.00 C ATOM 0 H VAL A 16 17.415 -1.051 12.037 1.00 0.00 H new ATOM 0 HA VAL A 16 19.822 0.053 11.179 1.00 0.00 H new ATOM 0 HB VAL A 16 17.012 0.430 10.067 1.00 0.00 H new ATOM 0 HG11 VAL A 16 18.134 0.895 7.923 1.00 0.00 H new ATOM 0 HG12 VAL A 16 18.555 2.097 9.165 1.00 0.00 H new ATOM 0 HG13 VAL A 16 19.714 0.815 8.738 1.00 0.00 H new ATOM 0 HG21 VAL A 16 17.608 -1.429 8.560 1.00 0.00 H new ATOM 0 HG22 VAL A 16 19.164 -1.609 9.406 1.00 0.00 H new ATOM 0 HG23 VAL A 16 17.640 -1.927 10.268 1.00 0.00 H new ATOM 275 N ARG A 17 17.564 2.290 12.124 1.00 0.00 N ATOM 276 CA ARG A 17 17.393 3.692 12.493 1.00 0.00 C ATOM 277 C ARG A 17 18.250 4.052 13.702 1.00 0.00 C ATOM 278 O ARG A 17 18.775 5.160 13.789 1.00 0.00 O ATOM 279 CB ARG A 17 15.924 4.012 12.774 1.00 0.00 C ATOM 280 CG ARG A 17 15.047 3.946 11.537 1.00 0.00 C ATOM 281 CD ARG A 17 13.628 4.410 11.830 1.00 0.00 C ATOM 282 NE ARG A 17 12.935 3.540 12.785 1.00 0.00 N ATOM 283 CZ ARG A 17 11.606 3.465 12.891 1.00 0.00 C ATOM 284 NH1 ARG A 17 10.833 4.230 12.130 1.00 0.00 N ATOM 285 NH2 ARG A 17 11.050 2.638 13.768 1.00 0.00 N ATOM 0 H ARG A 17 16.730 1.715 12.243 1.00 0.00 H new ATOM 0 HA ARG A 17 17.722 4.295 11.646 1.00 0.00 H new ATOM 0 HB2 ARG A 17 15.543 3.313 13.518 1.00 0.00 H new ATOM 0 HB3 ARG A 17 15.853 5.009 13.208 1.00 0.00 H new ATOM 0 HG2 ARG A 17 15.478 4.566 10.751 1.00 0.00 H new ATOM 0 HG3 ARG A 17 15.025 2.924 11.160 1.00 0.00 H new ATOM 0 HD2 ARG A 17 13.656 5.426 12.224 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.062 4.445 10.899 1.00 0.00 H new ATOM 0 HE ARG A 17 13.500 2.959 13.404 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.254 4.877 11.463 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.818 4.171 12.212 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.638 2.056 14.365 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.034 2.584 13.845 1.00 0.00 H new ATOM 299 N MET A 18 18.402 3.109 14.625 1.00 0.00 N ATOM 300 CA MET A 18 19.230 3.323 15.807 1.00 0.00 C ATOM 301 C MET A 18 20.705 3.414 15.420 1.00 0.00 C ATOM 302 O MET A 18 21.484 4.131 16.056 1.00 0.00 O ATOM 303 CB MET A 18 18.997 2.206 16.827 1.00 0.00 C ATOM 304 CG MET A 18 19.819 2.346 18.100 1.00 0.00 C ATOM 305 SD MET A 18 19.226 1.281 19.433 1.00 0.00 S ATOM 306 CE MET A 18 19.224 -0.319 18.630 1.00 0.00 C ATOM 0 H MET A 18 17.963 2.189 14.578 1.00 0.00 H new ATOM 0 HA MET A 18 18.945 4.269 16.267 1.00 0.00 H new ATOM 0 HB2 MET A 18 17.940 2.184 17.091 1.00 0.00 H new ATOM 0 HB3 MET A 18 19.229 1.249 16.361 1.00 0.00 H new ATOM 0 HG2 MET A 18 20.860 2.105 17.884 1.00 0.00 H new ATOM 0 HG3 MET A 18 19.794 3.384 18.431 1.00 0.00 H new ATOM 0 HE1 MET A 18 19.549 -1.082 19.338 1.00 0.00 H new ATOM 0 HE2 MET A 18 18.217 -0.551 18.283 1.00 0.00 H new ATOM 0 HE3 MET A 18 19.905 -0.300 17.779 1.00 0.00 H new ATOM 316 N VAL A 19 21.085 2.688 14.373 1.00 0.00 N ATOM 317 CA VAL A 19 22.428 2.794 13.819 1.00 0.00 C ATOM 318 C VAL A 19 22.623 4.174 13.201 1.00 0.00 C ATOM 319 O VAL A 19 23.650 4.814 13.399 1.00 0.00 O ATOM 320 CB VAL A 19 22.716 1.705 12.756 1.00 0.00 C ATOM 321 CG1 VAL A 19 24.088 1.907 12.124 1.00 0.00 C ATOM 322 CG2 VAL A 19 22.622 0.316 13.368 1.00 0.00 C ATOM 0 H VAL A 19 20.481 2.021 13.892 1.00 0.00 H new ATOM 0 HA VAL A 19 23.130 2.645 14.640 1.00 0.00 H new ATOM 0 HB VAL A 19 21.960 1.795 11.975 1.00 0.00 H new ATOM 0 HG11 VAL A 19 24.265 1.129 11.381 1.00 0.00 H new ATOM 0 HG12 VAL A 19 24.126 2.884 11.642 1.00 0.00 H new ATOM 0 HG13 VAL A 19 24.856 1.853 12.896 1.00 0.00 H new ATOM 0 HG21 VAL A 19 22.828 -0.433 12.603 1.00 0.00 H new ATOM 0 HG22 VAL A 19 23.351 0.223 14.173 1.00 0.00 H new ATOM 0 HG23 VAL A 19 21.619 0.161 13.767 1.00 0.00 H new ATOM 332 N LEU A 20 21.618 4.635 12.469 1.00 0.00 N ATOM 333 CA LEU A 20 21.662 5.957 11.850 1.00 0.00 C ATOM 334 C LEU A 20 21.753 7.047 12.915 1.00 0.00 C ATOM 335 O LEU A 20 22.538 7.989 12.788 1.00 0.00 O ATOM 336 CB LEU A 20 20.422 6.185 10.981 1.00 0.00 C ATOM 337 CG LEU A 20 20.229 5.184 9.841 1.00 0.00 C ATOM 338 CD1 LEU A 20 18.924 5.454 9.114 1.00 0.00 C ATOM 339 CD2 LEU A 20 21.397 5.245 8.868 1.00 0.00 C ATOM 0 H LEU A 20 20.760 4.114 12.288 1.00 0.00 H new ATOM 0 HA LEU A 20 22.550 6.005 11.220 1.00 0.00 H new ATOM 0 HB2 LEU A 20 19.540 6.156 11.621 1.00 0.00 H new ATOM 0 HB3 LEU A 20 20.475 7.188 10.557 1.00 0.00 H new ATOM 0 HG LEU A 20 20.190 4.182 10.269 1.00 0.00 H new ATOM 0 HD11 LEU A 20 18.802 4.733 8.306 1.00 0.00 H new ATOM 0 HD12 LEU A 20 18.092 5.361 9.812 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.939 6.463 8.701 1.00 0.00 H new ATOM 0 HD21 LEU A 20 21.240 4.525 8.065 1.00 0.00 H new ATOM 0 HD22 LEU A 20 21.468 6.248 8.447 1.00 0.00 H new ATOM 0 HD23 LEU A 20 22.321 5.006 9.394 1.00 0.00 H new ATOM 351 N GLU A 21 20.942 6.902 13.961 1.00 0.00 N ATOM 352 CA GLU A 21 20.904 7.849 15.074 1.00 0.00 C ATOM 353 C GLU A 21 22.294 8.042 15.681 1.00 0.00 C ATOM 354 O GLU A 21 22.725 9.166 15.945 1.00 0.00 O ATOM 355 CB GLU A 21 19.942 7.332 16.148 1.00 0.00 C ATOM 356 CG GLU A 21 19.743 8.279 17.318 1.00 0.00 C ATOM 357 CD GLU A 21 18.904 9.485 16.954 1.00 0.00 C ATOM 358 OE1 GLU A 21 19.459 10.467 16.421 1.00 0.00 O ATOM 359 OE2 GLU A 21 17.684 9.460 17.208 1.00 0.00 O ATOM 0 H GLU A 21 20.291 6.123 14.061 1.00 0.00 H new ATOM 0 HA GLU A 21 20.560 8.812 14.697 1.00 0.00 H new ATOM 0 HB2 GLU A 21 18.974 7.134 15.687 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.316 6.380 16.526 1.00 0.00 H new ATOM 0 HG2 GLU A 21 19.265 7.743 18.138 1.00 0.00 H new ATOM 0 HG3 GLU A 21 20.715 8.613 17.680 1.00 0.00 H new ATOM 366 N SER A 22 22.991 6.937 15.891 1.00 0.00 N ATOM 367 CA SER A 22 24.302 6.971 16.516 1.00 0.00 C ATOM 368 C SER A 22 25.402 7.268 15.495 1.00 0.00 C ATOM 369 O SER A 22 26.445 7.817 15.841 1.00 0.00 O ATOM 370 CB SER A 22 24.566 5.648 17.234 1.00 0.00 C ATOM 371 OG SER A 22 24.196 4.547 16.422 1.00 0.00 O ATOM 0 H SER A 22 22.669 6.003 15.637 1.00 0.00 H new ATOM 0 HA SER A 22 24.314 7.780 17.247 1.00 0.00 H new ATOM 0 HB2 SER A 22 25.622 5.575 17.493 1.00 0.00 H new ATOM 0 HB3 SER A 22 24.006 5.619 18.169 1.00 0.00 H new ATOM 0 HG SER A 22 23.227 4.409 16.480 1.00 0.00 H new ATOM 377 N GLN A 23 25.162 6.919 14.236 1.00 0.00 N ATOM 378 CA GLN A 23 26.131 7.165 13.172 1.00 0.00 C ATOM 379 C GLN A 23 26.336 8.663 12.969 1.00 0.00 C ATOM 380 O GLN A 23 27.408 9.104 12.562 1.00 0.00 O ATOM 381 CB GLN A 23 25.663 6.508 11.872 1.00 0.00 C ATOM 382 CG GLN A 23 26.694 6.544 10.756 1.00 0.00 C ATOM 383 CD GLN A 23 26.234 5.817 9.507 1.00 0.00 C ATOM 384 OE1 GLN A 23 27.043 5.264 8.763 1.00 0.00 O ATOM 385 NE2 GLN A 23 24.937 5.819 9.259 1.00 0.00 N ATOM 0 H GLN A 23 24.303 6.464 13.926 1.00 0.00 H new ATOM 0 HA GLN A 23 27.086 6.726 13.462 1.00 0.00 H new ATOM 0 HB2 GLN A 23 25.399 5.470 12.076 1.00 0.00 H new ATOM 0 HB3 GLN A 23 24.756 7.007 11.531 1.00 0.00 H new ATOM 0 HG2 GLN A 23 26.916 7.581 10.506 1.00 0.00 H new ATOM 0 HG3 GLN A 23 27.622 6.096 11.111 1.00 0.00 H new ATOM 0 HE21 GLN A 23 24.296 6.288 9.899 1.00 0.00 H new ATOM 0 HE22 GLN A 23 24.576 5.351 8.427 1.00 0.00 H new ATOM 394 N GLY A 24 25.307 9.443 13.277 1.00 0.00 N ATOM 395 CA GLY A 24 25.420 10.889 13.193 1.00 0.00 C ATOM 396 C GLY A 24 26.193 11.478 14.364 1.00 0.00 C ATOM 397 O GLY A 24 26.346 12.697 14.473 1.00 0.00 O ATOM 0 H GLY A 24 24.396 9.101 13.583 1.00 0.00 H new ATOM 0 HA2 GLY A 24 25.916 11.159 12.261 1.00 0.00 H new ATOM 0 HA3 GLY A 24 24.423 11.328 13.162 1.00 0.00 H new ATOM 401 N GLU A 25 26.668 10.602 15.242 1.00 0.00 N ATOM 402 CA GLU A 25 27.447 11.004 16.406 1.00 0.00 C ATOM 403 C GLU A 25 28.840 10.378 16.350 1.00 0.00 C ATOM 404 O GLU A 25 29.824 10.963 16.810 1.00 0.00 O ATOM 405 CB GLU A 25 26.724 10.569 17.685 1.00 0.00 C ATOM 406 CG GLU A 25 27.418 11.004 18.960 1.00 0.00 C ATOM 407 CD GLU A 25 26.689 10.545 20.205 1.00 0.00 C ATOM 408 OE1 GLU A 25 25.626 11.117 20.518 1.00 0.00 O ATOM 409 OE2 GLU A 25 27.189 9.625 20.888 1.00 0.00 O ATOM 0 H GLU A 25 26.524 9.595 15.167 1.00 0.00 H new ATOM 0 HA GLU A 25 27.553 12.089 16.407 1.00 0.00 H new ATOM 0 HB2 GLU A 25 25.713 10.976 17.676 1.00 0.00 H new ATOM 0 HB3 GLU A 25 26.630 9.483 17.686 1.00 0.00 H new ATOM 0 HG2 GLU A 25 28.433 10.607 18.971 1.00 0.00 H new ATOM 0 HG3 GLU A 25 27.501 12.091 18.972 1.00 0.00 H new ATOM 416 N TYR A 26 28.916 9.188 15.772 1.00 0.00 N ATOM 417 CA TYR A 26 30.169 8.456 15.668 1.00 0.00 C ATOM 418 C TYR A 26 30.950 8.859 14.421 1.00 0.00 C ATOM 419 O TYR A 26 30.609 9.826 13.736 1.00 0.00 O ATOM 420 CB TYR A 26 29.901 6.950 15.635 1.00 0.00 C ATOM 421 CG TYR A 26 29.684 6.327 16.997 1.00 0.00 C ATOM 422 CD1 TYR A 26 28.539 6.590 17.737 1.00 0.00 C ATOM 423 CD2 TYR A 26 30.628 5.465 17.536 1.00 0.00 C ATOM 424 CE1 TYR A 26 28.340 6.008 18.975 1.00 0.00 C ATOM 425 CE2 TYR A 26 30.436 4.879 18.773 1.00 0.00 C ATOM 426 CZ TYR A 26 29.293 5.156 19.490 1.00 0.00 C ATOM 427 OH TYR A 26 29.105 4.577 20.727 1.00 0.00 O ATOM 0 H TYR A 26 28.115 8.705 15.364 1.00 0.00 H new ATOM 0 HA TYR A 26 30.768 8.704 16.544 1.00 0.00 H new ATOM 0 HB2 TYR A 26 29.022 6.762 15.018 1.00 0.00 H new ATOM 0 HB3 TYR A 26 30.742 6.453 15.151 1.00 0.00 H new ATOM 0 HD1 TYR A 26 27.792 7.260 17.339 1.00 0.00 H new ATOM 0 HD2 TYR A 26 31.528 5.248 16.980 1.00 0.00 H new ATOM 0 HE1 TYR A 26 27.442 6.220 19.536 1.00 0.00 H new ATOM 0 HE2 TYR A 26 31.179 4.207 19.176 1.00 0.00 H new ATOM 0 HH TYR A 26 29.871 4.003 20.939 1.00 0.00 H new ATOM 437 N ASP A 27 32.005 8.108 14.146 1.00 0.00 N ATOM 438 CA ASP A 27 32.822 8.321 12.959 1.00 0.00 C ATOM 439 C ASP A 27 32.705 7.138 12.011 1.00 0.00 C ATOM 440 O ASP A 27 32.307 7.286 10.856 1.00 0.00 O ATOM 441 CB ASP A 27 34.288 8.519 13.349 1.00 0.00 C ATOM 442 CG ASP A 27 35.221 8.454 12.152 1.00 0.00 C ATOM 443 OD1 ASP A 27 35.475 9.507 11.533 1.00 0.00 O ATOM 444 OD2 ASP A 27 35.707 7.347 11.829 1.00 0.00 O ATOM 0 H ASP A 27 32.319 7.337 14.735 1.00 0.00 H new ATOM 0 HA ASP A 27 32.461 9.218 12.456 1.00 0.00 H new ATOM 0 HB2 ASP A 27 34.402 9.484 13.843 1.00 0.00 H new ATOM 0 HB3 ASP A 27 34.575 7.755 14.072 1.00 0.00 H new ATOM 449 N SER A 28 33.053 5.961 12.513 1.00 0.00 N ATOM 450 CA SER A 28 33.062 4.760 11.701 1.00 0.00 C ATOM 451 C SER A 28 31.746 3.999 11.829 1.00 0.00 C ATOM 452 O SER A 28 31.230 3.816 12.930 1.00 0.00 O ATOM 453 CB SER A 28 34.230 3.870 12.113 1.00 0.00 C ATOM 454 OG SER A 28 35.458 4.578 12.031 1.00 0.00 O ATOM 0 H SER A 28 33.333 5.816 13.483 1.00 0.00 H new ATOM 0 HA SER A 28 33.180 5.050 10.657 1.00 0.00 H new ATOM 0 HB2 SER A 28 34.079 3.512 13.132 1.00 0.00 H new ATOM 0 HB3 SER A 28 34.268 2.991 11.469 1.00 0.00 H new ATOM 0 HG SER A 28 35.278 5.528 11.870 1.00 0.00 H new ATOM 460 N GLN A 29 31.225 3.544 10.696 1.00 0.00 N ATOM 461 CA GLN A 29 29.957 2.822 10.655 1.00 0.00 C ATOM 462 C GLN A 29 30.073 1.461 11.342 1.00 0.00 C ATOM 463 O GLN A 29 29.123 0.978 11.952 1.00 0.00 O ATOM 464 CB GLN A 29 29.516 2.642 9.201 1.00 0.00 C ATOM 465 CG GLN A 29 28.116 2.079 9.047 1.00 0.00 C ATOM 466 CD GLN A 29 27.696 1.981 7.596 1.00 0.00 C ATOM 467 OE1 GLN A 29 27.891 0.957 6.943 1.00 0.00 O ATOM 468 NE2 GLN A 29 27.134 3.057 7.073 1.00 0.00 N ATOM 0 H GLN A 29 31.666 3.664 9.784 1.00 0.00 H new ATOM 0 HA GLN A 29 29.210 3.406 11.193 1.00 0.00 H new ATOM 0 HB2 GLN A 29 29.567 3.606 8.695 1.00 0.00 H new ATOM 0 HB3 GLN A 29 30.220 1.980 8.698 1.00 0.00 H new ATOM 0 HG2 GLN A 29 28.071 1.090 9.504 1.00 0.00 H new ATOM 0 HG3 GLN A 29 27.410 2.711 9.586 1.00 0.00 H new ATOM 0 HE21 GLN A 29 26.989 3.887 7.648 1.00 0.00 H new ATOM 0 HE22 GLN A 29 26.845 3.057 6.095 1.00 0.00 H new ATOM 477 N TRP A 30 31.242 0.845 11.252 1.00 0.00 N ATOM 478 CA TRP A 30 31.459 -0.444 11.896 1.00 0.00 C ATOM 479 C TRP A 30 31.546 -0.300 13.408 1.00 0.00 C ATOM 480 O TRP A 30 31.290 -1.252 14.145 1.00 0.00 O ATOM 481 CB TRP A 30 32.711 -1.121 11.342 1.00 0.00 C ATOM 482 CG TRP A 30 32.459 -1.801 10.034 1.00 0.00 C ATOM 483 CD1 TRP A 30 32.879 -1.402 8.799 1.00 0.00 C ATOM 484 CD2 TRP A 30 31.706 -3.001 9.831 1.00 0.00 C ATOM 485 NE1 TRP A 30 32.438 -2.286 7.844 1.00 0.00 N ATOM 486 CE2 TRP A 30 31.715 -3.275 8.454 1.00 0.00 C ATOM 487 CE3 TRP A 30 31.025 -3.869 10.687 1.00 0.00 C ATOM 488 CZ2 TRP A 30 31.072 -4.384 7.911 1.00 0.00 C ATOM 489 CZ3 TRP A 30 30.386 -4.970 10.149 1.00 0.00 C ATOM 490 CH2 TRP A 30 30.412 -5.218 8.772 1.00 0.00 C ATOM 0 H TRP A 30 32.048 1.211 10.745 1.00 0.00 H new ATOM 0 HA TRP A 30 30.600 -1.077 11.673 1.00 0.00 H new ATOM 0 HB2 TRP A 30 33.498 -0.377 11.216 1.00 0.00 H new ATOM 0 HB3 TRP A 30 33.076 -1.852 12.064 1.00 0.00 H new ATOM 0 HD1 TRP A 30 33.471 -0.521 8.601 1.00 0.00 H new ATOM 0 HE1 TRP A 30 32.620 -2.216 6.843 1.00 0.00 H new ATOM 0 HE3 TRP A 30 30.998 -3.683 11.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 31.093 -4.579 6.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 29.858 -5.650 10.802 1.00 0.00 H new ATOM 0 HH2 TRP A 30 29.901 -6.085 8.381 1.00 0.00 H new ATOM 501 N ALA A 31 31.876 0.901 13.866 1.00 0.00 N ATOM 502 CA ALA A 31 31.962 1.173 15.292 1.00 0.00 C ATOM 503 C ALA A 31 30.580 1.105 15.932 1.00 0.00 C ATOM 504 O ALA A 31 30.438 0.711 17.091 1.00 0.00 O ATOM 505 CB ALA A 31 32.600 2.532 15.540 1.00 0.00 C ATOM 0 H ALA A 31 32.088 1.701 13.270 1.00 0.00 H new ATOM 0 HA ALA A 31 32.592 0.411 15.750 1.00 0.00 H new ATOM 0 HB1 ALA A 31 32.656 2.718 16.613 1.00 0.00 H new ATOM 0 HB2 ALA A 31 33.604 2.545 15.117 1.00 0.00 H new ATOM 0 HB3 ALA A 31 31.998 3.308 15.068 1.00 0.00 H new ATOM 511 N THR A 32 29.558 1.480 15.169 1.00 0.00 N ATOM 512 CA THR A 32 28.191 1.410 15.653 1.00 0.00 C ATOM 513 C THR A 32 27.616 0.011 15.457 1.00 0.00 C ATOM 514 O THR A 32 26.976 -0.532 16.354 1.00 0.00 O ATOM 515 CB THR A 32 27.295 2.452 14.957 1.00 0.00 C ATOM 516 OG1 THR A 32 27.621 2.526 13.565 1.00 0.00 O ATOM 517 CG2 THR A 32 27.460 3.821 15.595 1.00 0.00 C ATOM 0 H THR A 32 29.654 1.834 14.217 1.00 0.00 H new ATOM 0 HA THR A 32 28.211 1.635 16.719 1.00 0.00 H new ATOM 0 HB THR A 32 26.257 2.140 15.071 1.00 0.00 H new ATOM 0 HG1 THR A 32 27.995 1.669 13.271 1.00 0.00 H new ATOM 0 HG21 THR A 32 26.817 4.539 15.086 1.00 0.00 H new ATOM 0 HG22 THR A 32 27.182 3.768 16.648 1.00 0.00 H new ATOM 0 HG23 THR A 32 28.499 4.139 15.509 1.00 0.00 H new ATOM 525 N ILE A 33 27.872 -0.581 14.293 1.00 0.00 N ATOM 526 CA ILE A 33 27.372 -1.920 13.983 1.00 0.00 C ATOM 527 C ILE A 33 27.846 -2.948 15.013 1.00 0.00 C ATOM 528 O ILE A 33 27.039 -3.688 15.578 1.00 0.00 O ATOM 529 CB ILE A 33 27.796 -2.377 12.564 1.00 0.00 C ATOM 530 CG1 ILE A 33 27.146 -1.485 11.503 1.00 0.00 C ATOM 531 CG2 ILE A 33 27.420 -3.839 12.332 1.00 0.00 C ATOM 532 CD1 ILE A 33 27.590 -1.798 10.088 1.00 0.00 C ATOM 0 H ILE A 33 28.423 -0.155 13.548 1.00 0.00 H new ATOM 0 HA ILE A 33 26.284 -1.860 14.019 1.00 0.00 H new ATOM 0 HB ILE A 33 28.879 -2.286 12.483 1.00 0.00 H new ATOM 0 HG12 ILE A 33 26.063 -1.591 11.566 1.00 0.00 H new ATOM 0 HG13 ILE A 33 27.378 -0.443 11.725 1.00 0.00 H new ATOM 0 HG21 ILE A 33 27.727 -4.139 11.330 1.00 0.00 H new ATOM 0 HG22 ILE A 33 27.923 -4.465 13.068 1.00 0.00 H new ATOM 0 HG23 ILE A 33 26.341 -3.957 12.432 1.00 0.00 H new ATOM 0 HD11 ILE A 33 27.088 -1.126 9.392 1.00 0.00 H new ATOM 0 HD12 ILE A 33 28.669 -1.664 10.007 1.00 0.00 H new ATOM 0 HD13 ILE A 33 27.333 -2.829 9.846 1.00 0.00 H new ATOM 544 N CYS A 34 29.146 -2.969 15.279 1.00 0.00 N ATOM 545 CA CYS A 34 29.724 -3.965 16.175 1.00 0.00 C ATOM 546 C CYS A 34 29.367 -3.694 17.640 1.00 0.00 C ATOM 547 O CYS A 34 29.584 -4.543 18.504 1.00 0.00 O ATOM 548 CB CYS A 34 31.243 -4.003 16.005 1.00 0.00 C ATOM 549 SG CYS A 34 31.787 -4.370 14.320 1.00 0.00 S ATOM 0 H CYS A 34 29.819 -2.310 14.889 1.00 0.00 H new ATOM 0 HA CYS A 34 29.301 -4.933 15.907 1.00 0.00 H new ATOM 0 HB2 CYS A 34 31.656 -3.041 16.307 1.00 0.00 H new ATOM 0 HB3 CYS A 34 31.655 -4.753 16.680 1.00 0.00 H new ATOM 0 HG CYS A 34 31.813 -3.273 13.624 1.00 0.00 H new ATOM 555 N SER A 35 28.829 -2.513 17.920 1.00 0.00 N ATOM 556 CA SER A 35 28.449 -2.161 19.281 1.00 0.00 C ATOM 557 C SER A 35 26.952 -2.375 19.503 1.00 0.00 C ATOM 558 O SER A 35 26.539 -2.918 20.528 1.00 0.00 O ATOM 559 CB SER A 35 28.829 -0.705 19.576 1.00 0.00 C ATOM 560 OG SER A 35 28.570 -0.364 20.928 1.00 0.00 O ATOM 0 H SER A 35 28.647 -1.787 17.227 1.00 0.00 H new ATOM 0 HA SER A 35 28.990 -2.813 19.967 1.00 0.00 H new ATOM 0 HB2 SER A 35 29.886 -0.552 19.357 1.00 0.00 H new ATOM 0 HB3 SER A 35 28.268 -0.041 18.918 1.00 0.00 H new ATOM 0 HG SER A 35 28.824 0.569 21.084 1.00 0.00 H new ATOM 566 N ILE A 36 26.149 -1.970 18.530 1.00 0.00 N ATOM 567 CA ILE A 36 24.697 -2.017 18.660 1.00 0.00 C ATOM 568 C ILE A 36 24.157 -3.445 18.561 1.00 0.00 C ATOM 569 O ILE A 36 23.240 -3.813 19.296 1.00 0.00 O ATOM 570 CB ILE A 36 24.020 -1.124 17.596 1.00 0.00 C ATOM 571 CG1 ILE A 36 24.396 0.341 17.831 1.00 0.00 C ATOM 572 CG2 ILE A 36 22.508 -1.296 17.611 1.00 0.00 C ATOM 573 CD1 ILE A 36 23.839 1.290 16.791 1.00 0.00 C ATOM 0 H ILE A 36 26.479 -1.603 17.637 1.00 0.00 H new ATOM 0 HA ILE A 36 24.456 -1.636 19.652 1.00 0.00 H new ATOM 0 HB ILE A 36 24.377 -1.431 16.613 1.00 0.00 H new ATOM 0 HG12 ILE A 36 24.038 0.645 18.815 1.00 0.00 H new ATOM 0 HG13 ILE A 36 25.482 0.430 17.845 1.00 0.00 H new ATOM 0 HG21 ILE A 36 22.061 -0.655 16.851 1.00 0.00 H new ATOM 0 HG22 ILE A 36 22.258 -2.336 17.401 1.00 0.00 H new ATOM 0 HG23 ILE A 36 22.120 -1.021 18.592 1.00 0.00 H new ATOM 0 HD11 ILE A 36 24.148 2.309 17.025 1.00 0.00 H new ATOM 0 HD12 ILE A 36 24.217 1.014 15.807 1.00 0.00 H new ATOM 0 HD13 ILE A 36 22.751 1.232 16.791 1.00 0.00 H new ATOM 585 N ALA A 37 24.736 -4.250 17.675 1.00 0.00 N ATOM 586 CA ALA A 37 24.261 -5.618 17.459 1.00 0.00 C ATOM 587 C ALA A 37 24.252 -6.447 18.755 1.00 0.00 C ATOM 588 O ALA A 37 23.219 -7.026 19.102 1.00 0.00 O ATOM 589 CB ALA A 37 25.067 -6.311 16.367 1.00 0.00 C ATOM 0 H ALA A 37 25.532 -3.983 17.096 1.00 0.00 H new ATOM 0 HA ALA A 37 23.226 -5.546 17.125 1.00 0.00 H new ATOM 0 HB1 ALA A 37 24.693 -7.325 16.227 1.00 0.00 H new ATOM 0 HB2 ALA A 37 24.968 -5.756 15.434 1.00 0.00 H new ATOM 0 HB3 ALA A 37 26.117 -6.348 16.658 1.00 0.00 H new ATOM 595 N PRO A 38 25.376 -6.520 19.509 1.00 0.00 N ATOM 596 CA PRO A 38 25.417 -7.275 20.769 1.00 0.00 C ATOM 597 C PRO A 38 24.554 -6.637 21.852 1.00 0.00 C ATOM 598 O PRO A 38 24.174 -7.291 22.824 1.00 0.00 O ATOM 599 CB PRO A 38 26.897 -7.247 21.179 1.00 0.00 C ATOM 600 CG PRO A 38 27.632 -6.800 19.962 1.00 0.00 C ATOM 601 CD PRO A 38 26.682 -5.915 19.212 1.00 0.00 C ATOM 0 HA PRO A 38 25.025 -8.284 20.642 1.00 0.00 H new ATOM 0 HB2 PRO A 38 27.062 -6.563 22.012 1.00 0.00 H new ATOM 0 HB3 PRO A 38 27.234 -8.231 21.503 1.00 0.00 H new ATOM 0 HG2 PRO A 38 28.540 -6.260 20.230 1.00 0.00 H new ATOM 0 HG3 PRO A 38 27.935 -7.652 19.354 1.00 0.00 H new ATOM 0 HD2 PRO A 38 26.737 -4.881 19.553 1.00 0.00 H new ATOM 0 HD3 PRO A 38 26.892 -5.909 18.142 1.00 0.00 H new ATOM 609 N LYS A 39 24.250 -5.357 21.675 1.00 0.00 N ATOM 610 CA LYS A 39 23.399 -4.634 22.607 1.00 0.00 C ATOM 611 C LYS A 39 21.941 -5.032 22.387 1.00 0.00 C ATOM 612 O LYS A 39 21.164 -5.139 23.339 1.00 0.00 O ATOM 613 CB LYS A 39 23.592 -3.124 22.426 1.00 0.00 C ATOM 614 CG LYS A 39 22.860 -2.273 23.452 1.00 0.00 C ATOM 615 CD LYS A 39 23.261 -0.809 23.343 1.00 0.00 C ATOM 616 CE LYS A 39 22.561 0.055 24.385 1.00 0.00 C ATOM 617 NZ LYS A 39 21.114 0.228 24.093 1.00 0.00 N ATOM 0 H LYS A 39 24.583 -4.797 20.890 1.00 0.00 H new ATOM 0 HA LYS A 39 23.675 -4.891 23.630 1.00 0.00 H new ATOM 0 HB2 LYS A 39 24.657 -2.897 22.476 1.00 0.00 H new ATOM 0 HB3 LYS A 39 23.253 -2.843 21.429 1.00 0.00 H new ATOM 0 HG2 LYS A 39 21.784 -2.369 23.307 1.00 0.00 H new ATOM 0 HG3 LYS A 39 23.080 -2.639 24.455 1.00 0.00 H new ATOM 0 HD2 LYS A 39 24.341 -0.719 23.464 1.00 0.00 H new ATOM 0 HD3 LYS A 39 23.020 -0.441 22.346 1.00 0.00 H new ATOM 0 HE2 LYS A 39 22.679 -0.399 25.369 1.00 0.00 H new ATOM 0 HE3 LYS A 39 23.041 1.033 24.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 20.684 0.836 24.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 20.999 0.669 23.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 20.646 -0.700 24.097 1.00 0.00 H new ATOM 631 N ILE A 40 21.586 -5.270 21.127 1.00 0.00 N ATOM 632 CA ILE A 40 20.251 -5.745 20.780 1.00 0.00 C ATOM 633 C ILE A 40 20.106 -7.218 21.144 1.00 0.00 C ATOM 634 O ILE A 40 19.179 -7.611 21.853 1.00 0.00 O ATOM 635 CB ILE A 40 19.954 -5.570 19.274 1.00 0.00 C ATOM 636 CG1 ILE A 40 20.076 -4.100 18.868 1.00 0.00 C ATOM 637 CG2 ILE A 40 18.565 -6.101 18.939 1.00 0.00 C ATOM 638 CD1 ILE A 40 19.891 -3.864 17.384 1.00 0.00 C ATOM 0 H ILE A 40 22.207 -5.141 20.328 1.00 0.00 H new ATOM 0 HA ILE A 40 19.538 -5.146 21.346 1.00 0.00 H new ATOM 0 HB ILE A 40 20.689 -6.144 18.711 1.00 0.00 H new ATOM 0 HG12 ILE A 40 19.335 -3.518 19.415 1.00 0.00 H new ATOM 0 HG13 ILE A 40 21.056 -3.729 19.167 1.00 0.00 H new ATOM 0 HG21 ILE A 40 18.372 -5.970 17.874 1.00 0.00 H new ATOM 0 HG22 ILE A 40 18.510 -7.160 19.190 1.00 0.00 H new ATOM 0 HG23 ILE A 40 17.818 -5.553 19.513 1.00 0.00 H new ATOM 0 HD11 ILE A 40 19.991 -2.800 17.170 1.00 0.00 H new ATOM 0 HD12 ILE A 40 20.649 -4.418 16.830 1.00 0.00 H new ATOM 0 HD13 ILE A 40 18.900 -4.204 17.082 1.00 0.00 H new ATOM 650 N GLY A 41 21.041 -8.024 20.662 1.00 0.00 N ATOM 651 CA GLY A 41 21.010 -9.444 20.939 1.00 0.00 C ATOM 652 C GLY A 41 21.324 -10.279 19.716 1.00 0.00 C ATOM 653 O GLY A 41 20.663 -11.283 19.451 1.00 0.00 O ATOM 0 H GLY A 41 21.822 -7.718 20.082 1.00 0.00 H new ATOM 0 HA2 GLY A 41 21.728 -9.673 21.726 1.00 0.00 H new ATOM 0 HA3 GLY A 41 20.025 -9.716 21.318 1.00 0.00 H new ATOM 657 N CYS A 42 22.327 -9.856 18.962 1.00 0.00 N ATOM 658 CA CYS A 42 22.773 -10.594 17.793 1.00 0.00 C ATOM 659 C CYS A 42 24.238 -10.296 17.519 1.00 0.00 C ATOM 660 O CYS A 42 24.834 -9.438 18.171 1.00 0.00 O ATOM 661 CB CYS A 42 21.921 -10.232 16.575 1.00 0.00 C ATOM 662 SG CYS A 42 21.843 -8.462 16.225 1.00 0.00 S ATOM 0 H CYS A 42 22.850 -8.999 19.142 1.00 0.00 H new ATOM 0 HA CYS A 42 22.660 -11.660 17.988 1.00 0.00 H new ATOM 0 HB2 CYS A 42 22.320 -10.746 15.701 1.00 0.00 H new ATOM 0 HB3 CYS A 42 20.909 -10.605 16.730 1.00 0.00 H new ATOM 0 HG CYS A 42 20.749 -8.196 15.575 1.00 0.00 H new ATOM 668 N THR A 43 24.821 -11.006 16.573 1.00 0.00 N ATOM 669 CA THR A 43 26.195 -10.760 16.188 1.00 0.00 C ATOM 670 C THR A 43 26.258 -9.677 15.106 1.00 0.00 C ATOM 671 O THR A 43 25.316 -9.523 14.324 1.00 0.00 O ATOM 672 CB THR A 43 26.868 -12.063 15.720 1.00 0.00 C ATOM 673 OG1 THR A 43 25.909 -12.893 15.051 1.00 0.00 O ATOM 674 CG2 THR A 43 27.458 -12.817 16.901 1.00 0.00 C ATOM 0 H THR A 43 24.364 -11.758 16.057 1.00 0.00 H new ATOM 0 HA THR A 43 26.745 -10.399 17.057 1.00 0.00 H new ATOM 0 HB THR A 43 27.673 -11.807 15.031 1.00 0.00 H new ATOM 0 HG1 THR A 43 25.704 -12.512 14.172 1.00 0.00 H new ATOM 0 HG21 THR A 43 27.929 -13.735 16.548 1.00 0.00 H new ATOM 0 HG22 THR A 43 28.203 -12.194 17.395 1.00 0.00 H new ATOM 0 HG23 THR A 43 26.666 -13.064 17.607 1.00 0.00 H new ATOM 682 N PRO A 44 27.358 -8.902 15.068 1.00 0.00 N ATOM 683 CA PRO A 44 27.492 -7.714 14.205 1.00 0.00 C ATOM 684 C PRO A 44 27.127 -7.943 12.735 1.00 0.00 C ATOM 685 O PRO A 44 26.545 -7.064 12.096 1.00 0.00 O ATOM 686 CB PRO A 44 28.976 -7.331 14.328 1.00 0.00 C ATOM 687 CG PRO A 44 29.633 -8.464 15.047 1.00 0.00 C ATOM 688 CD PRO A 44 28.567 -9.111 15.876 1.00 0.00 C ATOM 0 HA PRO A 44 26.795 -6.940 14.527 1.00 0.00 H new ATOM 0 HB2 PRO A 44 29.423 -7.180 13.345 1.00 0.00 H new ATOM 0 HB3 PRO A 44 29.094 -6.398 14.879 1.00 0.00 H new ATOM 0 HG2 PRO A 44 30.062 -9.175 14.341 1.00 0.00 H new ATOM 0 HG3 PRO A 44 30.449 -8.105 15.674 1.00 0.00 H new ATOM 0 HD2 PRO A 44 28.767 -10.170 16.038 1.00 0.00 H new ATOM 0 HD3 PRO A 44 28.482 -8.648 16.859 1.00 0.00 H new ATOM 696 N GLU A 45 27.447 -9.115 12.196 1.00 0.00 N ATOM 697 CA GLU A 45 27.237 -9.362 10.772 1.00 0.00 C ATOM 698 C GLU A 45 25.746 -9.434 10.440 1.00 0.00 C ATOM 699 O GLU A 45 25.336 -9.111 9.325 1.00 0.00 O ATOM 700 CB GLU A 45 27.962 -10.637 10.302 1.00 0.00 C ATOM 701 CG GLU A 45 27.251 -11.950 10.619 1.00 0.00 C ATOM 702 CD GLU A 45 27.142 -12.228 12.100 1.00 0.00 C ATOM 703 OE1 GLU A 45 28.114 -12.749 12.681 1.00 0.00 O ATOM 704 OE2 GLU A 45 26.087 -11.927 12.689 1.00 0.00 O ATOM 0 H GLU A 45 27.847 -9.898 12.713 1.00 0.00 H new ATOM 0 HA GLU A 45 27.668 -8.519 10.231 1.00 0.00 H new ATOM 0 HB2 GLU A 45 28.109 -10.574 9.224 1.00 0.00 H new ATOM 0 HB3 GLU A 45 28.952 -10.660 10.758 1.00 0.00 H new ATOM 0 HG2 GLU A 45 26.251 -11.927 10.186 1.00 0.00 H new ATOM 0 HG3 GLU A 45 27.787 -12.770 10.141 1.00 0.00 H new ATOM 711 N THR A 46 24.941 -9.836 11.416 1.00 0.00 N ATOM 712 CA THR A 46 23.501 -9.922 11.231 1.00 0.00 C ATOM 713 C THR A 46 22.894 -8.522 11.135 1.00 0.00 C ATOM 714 O THR A 46 21.958 -8.284 10.368 1.00 0.00 O ATOM 715 CB THR A 46 22.839 -10.701 12.388 1.00 0.00 C ATOM 716 OG1 THR A 46 23.467 -11.983 12.539 1.00 0.00 O ATOM 717 CG2 THR A 46 21.349 -10.896 12.142 1.00 0.00 C ATOM 0 H THR A 46 25.264 -10.108 12.345 1.00 0.00 H new ATOM 0 HA THR A 46 23.313 -10.459 10.301 1.00 0.00 H new ATOM 0 HB THR A 46 22.966 -10.117 13.299 1.00 0.00 H new ATOM 0 HG1 THR A 46 24.365 -11.865 12.913 1.00 0.00 H new ATOM 0 HG21 THR A 46 20.912 -11.448 12.974 1.00 0.00 H new ATOM 0 HG22 THR A 46 20.864 -9.924 12.057 1.00 0.00 H new ATOM 0 HG23 THR A 46 21.203 -11.456 11.219 1.00 0.00 H new ATOM 725 N LEU A 47 23.453 -7.590 11.900 1.00 0.00 N ATOM 726 CA LEU A 47 23.008 -6.205 11.861 1.00 0.00 C ATOM 727 C LEU A 47 23.288 -5.602 10.488 1.00 0.00 C ATOM 728 O LEU A 47 22.493 -4.815 9.973 1.00 0.00 O ATOM 729 CB LEU A 47 23.701 -5.389 12.957 1.00 0.00 C ATOM 730 CG LEU A 47 23.266 -3.924 13.060 1.00 0.00 C ATOM 731 CD1 LEU A 47 21.776 -3.824 13.332 1.00 0.00 C ATOM 732 CD2 LEU A 47 24.051 -3.214 14.148 1.00 0.00 C ATOM 0 H LEU A 47 24.215 -7.770 12.554 1.00 0.00 H new ATOM 0 HA LEU A 47 21.933 -6.178 12.041 1.00 0.00 H new ATOM 0 HB2 LEU A 47 23.519 -5.873 13.917 1.00 0.00 H new ATOM 0 HB3 LEU A 47 24.777 -5.420 12.784 1.00 0.00 H new ATOM 0 HG LEU A 47 23.474 -3.438 12.107 1.00 0.00 H new ATOM 0 HD11 LEU A 47 21.488 -2.775 13.401 1.00 0.00 H new ATOM 0 HD12 LEU A 47 21.225 -4.298 12.520 1.00 0.00 H new ATOM 0 HD13 LEU A 47 21.543 -4.327 14.271 1.00 0.00 H new ATOM 0 HD21 LEU A 47 23.730 -2.174 14.208 1.00 0.00 H new ATOM 0 HD22 LEU A 47 23.873 -3.705 15.105 1.00 0.00 H new ATOM 0 HD23 LEU A 47 25.115 -3.252 13.913 1.00 0.00 H new ATOM 744 N ARG A 48 24.419 -5.987 9.900 1.00 0.00 N ATOM 745 CA ARG A 48 24.775 -5.545 8.556 1.00 0.00 C ATOM 746 C ARG A 48 23.721 -5.999 7.549 1.00 0.00 C ATOM 747 O ARG A 48 23.344 -5.245 6.654 1.00 0.00 O ATOM 748 CB ARG A 48 26.151 -6.089 8.153 1.00 0.00 C ATOM 749 CG ARG A 48 26.625 -5.588 6.797 1.00 0.00 C ATOM 750 CD ARG A 48 27.950 -6.214 6.392 1.00 0.00 C ATOM 751 NE ARG A 48 28.450 -5.661 5.133 1.00 0.00 N ATOM 752 CZ ARG A 48 29.696 -5.820 4.690 1.00 0.00 C ATOM 753 NH1 ARG A 48 30.560 -6.558 5.374 1.00 0.00 N ATOM 754 NH2 ARG A 48 30.079 -5.254 3.552 1.00 0.00 N ATOM 0 H ARG A 48 25.104 -6.605 10.335 1.00 0.00 H new ATOM 0 HA ARG A 48 24.817 -4.456 8.557 1.00 0.00 H new ATOM 0 HB2 ARG A 48 26.881 -5.807 8.912 1.00 0.00 H new ATOM 0 HB3 ARG A 48 26.112 -7.178 8.136 1.00 0.00 H new ATOM 0 HG2 ARG A 48 25.871 -5.814 6.043 1.00 0.00 H new ATOM 0 HG3 ARG A 48 26.730 -4.504 6.827 1.00 0.00 H new ATOM 0 HD2 ARG A 48 28.686 -6.049 7.179 1.00 0.00 H new ATOM 0 HD3 ARG A 48 27.827 -7.292 6.292 1.00 0.00 H new ATOM 0 HE ARG A 48 27.804 -5.120 4.559 1.00 0.00 H new ATOM 0 HH11 ARG A 48 30.271 -7.007 6.243 1.00 0.00 H new ATOM 0 HH12 ARG A 48 31.513 -6.677 5.031 1.00 0.00 H new ATOM 0 HH21 ARG A 48 29.418 -4.695 3.013 1.00 0.00 H new ATOM 0 HH22 ARG A 48 31.034 -5.379 3.217 1.00 0.00 H new ATOM 768 N VAL A 49 23.240 -7.229 7.715 1.00 0.00 N ATOM 769 CA VAL A 49 22.204 -7.776 6.844 1.00 0.00 C ATOM 770 C VAL A 49 20.942 -6.918 6.904 1.00 0.00 C ATOM 771 O VAL A 49 20.310 -6.656 5.879 1.00 0.00 O ATOM 772 CB VAL A 49 21.850 -9.232 7.229 1.00 0.00 C ATOM 773 CG1 VAL A 49 20.777 -9.797 6.305 1.00 0.00 C ATOM 774 CG2 VAL A 49 23.091 -10.112 7.204 1.00 0.00 C ATOM 0 H VAL A 49 23.553 -7.867 8.447 1.00 0.00 H new ATOM 0 HA VAL A 49 22.600 -7.771 5.829 1.00 0.00 H new ATOM 0 HB VAL A 49 21.453 -9.223 8.244 1.00 0.00 H new ATOM 0 HG11 VAL A 49 20.547 -10.821 6.598 1.00 0.00 H new ATOM 0 HG12 VAL A 49 19.876 -9.188 6.378 1.00 0.00 H new ATOM 0 HG13 VAL A 49 21.140 -9.786 5.277 1.00 0.00 H new ATOM 0 HG21 VAL A 49 22.820 -11.132 7.478 1.00 0.00 H new ATOM 0 HG22 VAL A 49 23.520 -10.107 6.202 1.00 0.00 H new ATOM 0 HG23 VAL A 49 23.823 -9.728 7.914 1.00 0.00 H new ATOM 784 N TRP A 50 20.590 -6.471 8.106 1.00 0.00 N ATOM 785 CA TRP A 50 19.405 -5.642 8.293 1.00 0.00 C ATOM 786 C TRP A 50 19.581 -4.284 7.618 1.00 0.00 C ATOM 787 O TRP A 50 18.667 -3.786 6.956 1.00 0.00 O ATOM 788 CB TRP A 50 19.096 -5.465 9.783 1.00 0.00 C ATOM 789 CG TRP A 50 18.765 -6.752 10.478 1.00 0.00 C ATOM 790 CD1 TRP A 50 18.356 -7.917 9.892 1.00 0.00 C ATOM 791 CD2 TRP A 50 18.802 -7.005 11.888 1.00 0.00 C ATOM 792 NE1 TRP A 50 18.144 -8.878 10.849 1.00 0.00 N ATOM 793 CE2 TRP A 50 18.411 -8.343 12.083 1.00 0.00 C ATOM 794 CE3 TRP A 50 19.132 -6.233 13.003 1.00 0.00 C ATOM 795 CZ2 TRP A 50 18.339 -8.923 13.349 1.00 0.00 C ATOM 796 CZ3 TRP A 50 19.060 -6.809 14.258 1.00 0.00 C ATOM 797 CH2 TRP A 50 18.667 -8.143 14.421 1.00 0.00 C ATOM 0 H TRP A 50 21.107 -6.669 8.963 1.00 0.00 H new ATOM 0 HA TRP A 50 18.561 -6.149 7.826 1.00 0.00 H new ATOM 0 HB2 TRP A 50 19.955 -5.006 10.273 1.00 0.00 H new ATOM 0 HB3 TRP A 50 18.260 -4.775 9.894 1.00 0.00 H new ATOM 0 HD1 TRP A 50 18.219 -8.061 8.830 1.00 0.00 H new ATOM 0 HE1 TRP A 50 17.838 -9.835 10.671 1.00 0.00 H new ATOM 0 HE3 TRP A 50 19.438 -5.204 12.888 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 18.035 -9.951 13.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 19.311 -6.220 15.128 1.00 0.00 H new ATOM 0 HH2 TRP A 50 18.622 -8.564 15.415 1.00 0.00 H new ATOM 808 N VAL A 51 20.764 -3.693 7.771 1.00 0.00 N ATOM 809 CA VAL A 51 21.076 -2.428 7.111 1.00 0.00 C ATOM 810 C VAL A 51 21.015 -2.605 5.596 1.00 0.00 C ATOM 811 O VAL A 51 20.429 -1.786 4.885 1.00 0.00 O ATOM 812 CB VAL A 51 22.473 -1.903 7.513 1.00 0.00 C ATOM 813 CG1 VAL A 51 22.798 -0.601 6.788 1.00 0.00 C ATOM 814 CG2 VAL A 51 22.560 -1.716 9.021 1.00 0.00 C ATOM 0 H VAL A 51 21.520 -4.068 8.344 1.00 0.00 H new ATOM 0 HA VAL A 51 20.335 -1.696 7.431 1.00 0.00 H new ATOM 0 HB VAL A 51 23.213 -2.646 7.215 1.00 0.00 H new ATOM 0 HG11 VAL A 51 23.786 -0.254 7.089 1.00 0.00 H new ATOM 0 HG12 VAL A 51 22.786 -0.771 5.711 1.00 0.00 H new ATOM 0 HG13 VAL A 51 22.055 0.154 7.045 1.00 0.00 H new ATOM 0 HG21 VAL A 51 23.551 -1.346 9.285 1.00 0.00 H new ATOM 0 HG22 VAL A 51 21.806 -0.997 9.343 1.00 0.00 H new ATOM 0 HG23 VAL A 51 22.385 -2.671 9.517 1.00 0.00 H new ATOM 824 N ARG A 52 21.601 -3.706 5.128 1.00 0.00 N ATOM 825 CA ARG A 52 21.602 -4.067 3.712 1.00 0.00 C ATOM 826 C ARG A 52 20.180 -4.109 3.151 1.00 0.00 C ATOM 827 O ARG A 52 19.933 -3.682 2.022 1.00 0.00 O ATOM 828 CB ARG A 52 22.286 -5.430 3.536 1.00 0.00 C ATOM 829 CG ARG A 52 22.192 -6.012 2.138 1.00 0.00 C ATOM 830 CD ARG A 52 22.834 -7.387 2.080 1.00 0.00 C ATOM 831 NE ARG A 52 22.569 -8.065 0.818 1.00 0.00 N ATOM 832 CZ ARG A 52 22.643 -9.384 0.653 1.00 0.00 C ATOM 833 NH1 ARG A 52 23.029 -10.170 1.654 1.00 0.00 N ATOM 834 NH2 ARG A 52 22.341 -9.911 -0.524 1.00 0.00 N ATOM 0 H ARG A 52 22.090 -4.375 5.723 1.00 0.00 H new ATOM 0 HA ARG A 52 22.153 -3.307 3.158 1.00 0.00 H new ATOM 0 HB2 ARG A 52 23.338 -5.330 3.803 1.00 0.00 H new ATOM 0 HB3 ARG A 52 21.844 -6.136 4.239 1.00 0.00 H new ATOM 0 HG2 ARG A 52 21.146 -6.081 1.838 1.00 0.00 H new ATOM 0 HG3 ARG A 52 22.684 -5.346 1.429 1.00 0.00 H new ATOM 0 HD2 ARG A 52 23.911 -7.290 2.219 1.00 0.00 H new ATOM 0 HD3 ARG A 52 22.460 -7.996 2.903 1.00 0.00 H new ATOM 0 HE ARG A 52 22.311 -7.495 0.012 1.00 0.00 H new ATOM 0 HH11 ARG A 52 23.271 -9.763 2.557 1.00 0.00 H new ATOM 0 HH12 ARG A 52 23.083 -11.179 1.518 1.00 0.00 H new ATOM 0 HH21 ARG A 52 22.055 -9.307 -1.295 1.00 0.00 H new ATOM 0 HH22 ARG A 52 22.395 -10.920 -0.660 1.00 0.00 H new ATOM 848 N GLN A 53 19.249 -4.619 3.952 1.00 0.00 N ATOM 849 CA GLN A 53 17.846 -4.679 3.558 1.00 0.00 C ATOM 850 C GLN A 53 17.295 -3.278 3.327 1.00 0.00 C ATOM 851 O GLN A 53 16.666 -3.008 2.304 1.00 0.00 O ATOM 852 CB GLN A 53 17.017 -5.401 4.628 1.00 0.00 C ATOM 853 CG GLN A 53 17.324 -6.887 4.742 1.00 0.00 C ATOM 854 CD GLN A 53 16.626 -7.732 3.686 1.00 0.00 C ATOM 855 OE1 GLN A 53 16.335 -7.145 2.533 1.00 0.00 O flip ATOM 856 NE2 GLN A 53 16.335 -8.905 3.915 1.00 0.00 N flip ATOM 0 H GLN A 53 19.442 -4.997 4.879 1.00 0.00 H new ATOM 0 HA GLN A 53 17.778 -5.239 2.626 1.00 0.00 H new ATOM 0 HB2 GLN A 53 17.195 -4.927 5.593 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.958 -5.274 4.401 1.00 0.00 H new ATOM 0 HG2 GLN A 53 18.401 -7.035 4.661 1.00 0.00 H new ATOM 0 HG3 GLN A 53 17.027 -7.237 5.731 1.00 0.00 H new ATOM 0 HE21 GLN A 53 16.575 -9.324 4.814 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.854 -9.459 3.206 1.00 0.00 H new ATOM 865 N HIS A 54 17.570 -2.380 4.265 1.00 0.00 N ATOM 866 CA HIS A 54 17.050 -1.020 4.193 1.00 0.00 C ATOM 867 C HIS A 54 17.697 -0.249 3.043 1.00 0.00 C ATOM 868 O HIS A 54 17.101 0.678 2.492 1.00 0.00 O ATOM 869 CB HIS A 54 17.275 -0.288 5.518 1.00 0.00 C ATOM 870 CG HIS A 54 16.360 0.884 5.713 1.00 0.00 C ATOM 871 ND1 HIS A 54 16.785 2.197 5.704 1.00 0.00 N ATOM 872 CD2 HIS A 54 15.023 0.929 5.926 1.00 0.00 C ATOM 873 CE1 HIS A 54 15.748 2.993 5.904 1.00 0.00 C ATOM 874 NE2 HIS A 54 14.672 2.249 6.041 1.00 0.00 N ATOM 0 H HIS A 54 18.149 -2.568 5.083 1.00 0.00 H new ATOM 0 HA HIS A 54 15.978 -1.078 4.005 1.00 0.00 H new ATOM 0 HB2 HIS A 54 17.135 -0.989 6.341 1.00 0.00 H new ATOM 0 HB3 HIS A 54 18.308 0.056 5.564 1.00 0.00 H new ATOM 0 HD2 HIS A 54 14.357 0.082 5.993 1.00 0.00 H new ATOM 0 HE1 HIS A 54 15.779 4.072 5.947 1.00 0.00 H new ATOM 0 HE2 HIS A 54 13.728 2.598 6.206 1.00 0.00 H new ATOM 883 N GLU A 55 18.919 -0.630 2.686 1.00 0.00 N ATOM 884 CA GLU A 55 19.590 -0.043 1.532 1.00 0.00 C ATOM 885 C GLU A 55 18.879 -0.451 0.249 1.00 0.00 C ATOM 886 O GLU A 55 18.767 0.341 -0.688 1.00 0.00 O ATOM 887 CB GLU A 55 21.055 -0.470 1.471 1.00 0.00 C ATOM 888 CG GLU A 55 21.881 -0.011 2.660 1.00 0.00 C ATOM 889 CD GLU A 55 23.337 -0.391 2.523 1.00 0.00 C ATOM 890 OE1 GLU A 55 23.656 -1.592 2.640 1.00 0.00 O ATOM 891 OE2 GLU A 55 24.173 0.506 2.275 1.00 0.00 O ATOM 0 H GLU A 55 19.463 -1.340 3.177 1.00 0.00 H new ATOM 0 HA GLU A 55 19.553 1.041 1.636 1.00 0.00 H new ATOM 0 HB2 GLU A 55 21.104 -1.557 1.405 1.00 0.00 H new ATOM 0 HB3 GLU A 55 21.500 -0.075 0.558 1.00 0.00 H new ATOM 0 HG2 GLU A 55 21.798 1.071 2.762 1.00 0.00 H new ATOM 0 HG3 GLU A 55 21.477 -0.450 3.572 1.00 0.00 H new ATOM 898 N ARG A 56 18.390 -1.688 0.217 1.00 0.00 N ATOM 899 CA ARG A 56 17.634 -2.182 -0.927 1.00 0.00 C ATOM 900 C ARG A 56 16.390 -1.327 -1.146 1.00 0.00 C ATOM 901 O ARG A 56 16.058 -0.976 -2.276 1.00 0.00 O ATOM 902 CB ARG A 56 17.234 -3.647 -0.725 1.00 0.00 C ATOM 903 CG ARG A 56 16.458 -4.224 -1.895 1.00 0.00 C ATOM 904 CD ARG A 56 15.983 -5.643 -1.622 1.00 0.00 C ATOM 905 NE ARG A 56 17.090 -6.580 -1.425 1.00 0.00 N ATOM 906 CZ ARG A 56 17.722 -7.206 -2.419 1.00 0.00 C ATOM 907 NH1 ARG A 56 17.408 -6.950 -3.681 1.00 0.00 N ATOM 908 NH2 ARG A 56 18.666 -8.099 -2.157 1.00 0.00 N ATOM 0 H ARG A 56 18.505 -2.365 0.971 1.00 0.00 H new ATOM 0 HA ARG A 56 18.271 -2.117 -1.809 1.00 0.00 H new ATOM 0 HB2 ARG A 56 18.132 -4.243 -0.565 1.00 0.00 H new ATOM 0 HB3 ARG A 56 16.631 -3.730 0.179 1.00 0.00 H new ATOM 0 HG2 ARG A 56 15.598 -3.589 -2.108 1.00 0.00 H new ATOM 0 HG3 ARG A 56 17.087 -4.218 -2.785 1.00 0.00 H new ATOM 0 HD2 ARG A 56 15.348 -5.645 -0.736 1.00 0.00 H new ATOM 0 HD3 ARG A 56 15.368 -5.983 -2.455 1.00 0.00 H new ATOM 0 HE ARG A 56 17.397 -6.765 -0.470 1.00 0.00 H new ATOM 0 HH11 ARG A 56 16.679 -6.270 -3.897 1.00 0.00 H new ATOM 0 HH12 ARG A 56 17.896 -7.433 -4.436 1.00 0.00 H new ATOM 0 HH21 ARG A 56 18.913 -8.311 -1.190 1.00 0.00 H new ATOM 0 HH22 ARG A 56 19.145 -8.574 -2.922 1.00 0.00 H new ATOM 922 N ASP A 57 15.718 -0.980 -0.052 1.00 0.00 N ATOM 923 CA ASP A 57 14.554 -0.093 -0.110 1.00 0.00 C ATOM 924 C ASP A 57 14.931 1.259 -0.710 1.00 0.00 C ATOM 925 O ASP A 57 14.138 1.886 -1.411 1.00 0.00 O ATOM 926 CB ASP A 57 13.968 0.124 1.289 1.00 0.00 C ATOM 927 CG ASP A 57 13.303 -1.114 1.860 1.00 0.00 C ATOM 928 OD1 ASP A 57 14.017 -2.048 2.266 1.00 0.00 O ATOM 929 OD2 ASP A 57 12.056 -1.149 1.926 1.00 0.00 O ATOM 0 H ASP A 57 15.957 -1.298 0.887 1.00 0.00 H new ATOM 0 HA ASP A 57 13.807 -0.571 -0.744 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.763 0.444 1.963 1.00 0.00 H new ATOM 0 HB3 ASP A 57 13.239 0.933 1.248 1.00 0.00 H new ATOM 934 N THR A 58 16.151 1.693 -0.436 1.00 0.00 N ATOM 935 CA THR A 58 16.623 2.996 -0.879 1.00 0.00 C ATOM 936 C THR A 58 16.979 2.988 -2.369 1.00 0.00 C ATOM 937 O THR A 58 16.742 3.966 -3.080 1.00 0.00 O ATOM 938 CB THR A 58 17.851 3.431 -0.051 1.00 0.00 C ATOM 939 OG1 THR A 58 17.526 3.391 1.347 1.00 0.00 O ATOM 940 CG2 THR A 58 18.306 4.834 -0.427 1.00 0.00 C ATOM 0 H THR A 58 16.837 1.157 0.095 1.00 0.00 H new ATOM 0 HA THR A 58 15.813 3.709 -0.727 1.00 0.00 H new ATOM 0 HB THR A 58 18.667 2.740 -0.266 1.00 0.00 H new ATOM 0 HG1 THR A 58 17.404 2.460 1.628 1.00 0.00 H new ATOM 0 HG21 THR A 58 19.172 5.109 0.175 1.00 0.00 H new ATOM 0 HG22 THR A 58 18.575 4.858 -1.483 1.00 0.00 H new ATOM 0 HG23 THR A 58 17.497 5.541 -0.242 1.00 0.00 H new ATOM 948 N GLY A 59 17.528 1.876 -2.838 1.00 0.00 N ATOM 949 CA GLY A 59 17.953 1.787 -4.222 1.00 0.00 C ATOM 950 C GLY A 59 16.856 1.298 -5.147 1.00 0.00 C ATOM 951 O GLY A 59 16.792 1.702 -6.310 1.00 0.00 O ATOM 0 H GLY A 59 17.687 1.034 -2.285 1.00 0.00 H new ATOM 0 HA2 GLY A 59 18.292 2.767 -4.556 1.00 0.00 H new ATOM 0 HA3 GLY A 59 18.807 1.113 -4.292 1.00 0.00 H new ATOM 955 N GLY A 60 15.991 0.432 -4.628 1.00 0.00 N ATOM 956 CA GLY A 60 14.930 -0.151 -5.433 1.00 0.00 C ATOM 957 C GLY A 60 13.902 0.865 -5.894 1.00 0.00 C ATOM 958 O GLY A 60 13.284 0.693 -6.945 1.00 0.00 O ATOM 0 H GLY A 60 16.006 0.121 -3.657 1.00 0.00 H new ATOM 0 HA2 GLY A 60 15.369 -0.635 -6.305 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.430 -0.928 -4.855 1.00 0.00 H new ATOM 962 N ASP A 61 13.715 1.920 -5.110 1.00 0.00 N ATOM 963 CA ASP A 61 12.763 2.971 -5.454 1.00 0.00 C ATOM 964 C ASP A 61 13.268 4.313 -4.939 1.00 0.00 C ATOM 965 O ASP A 61 14.013 4.359 -3.961 1.00 0.00 O ATOM 966 CB ASP A 61 11.385 2.663 -4.858 1.00 0.00 C ATOM 967 CG ASP A 61 10.302 3.587 -5.382 1.00 0.00 C ATOM 968 OD1 ASP A 61 10.117 4.688 -4.821 1.00 0.00 O ATOM 969 OD2 ASP A 61 9.625 3.214 -6.363 1.00 0.00 O ATOM 0 H ASP A 61 14.210 2.071 -4.231 1.00 0.00 H new ATOM 0 HA ASP A 61 12.667 3.017 -6.539 1.00 0.00 H new ATOM 0 HB2 ASP A 61 11.118 1.631 -5.085 1.00 0.00 H new ATOM 0 HB3 ASP A 61 11.436 2.748 -3.772 1.00 0.00 H new ATOM 974 N ASP A 62 12.870 5.396 -5.601 1.00 0.00 N ATOM 975 CA ASP A 62 13.308 6.739 -5.223 1.00 0.00 C ATOM 976 C ASP A 62 12.871 7.077 -3.800 1.00 0.00 C ATOM 977 O ASP A 62 13.570 7.795 -3.078 1.00 0.00 O ATOM 978 CB ASP A 62 12.747 7.778 -6.197 1.00 0.00 C ATOM 979 CG ASP A 62 13.263 9.178 -5.919 1.00 0.00 C ATOM 980 OD1 ASP A 62 12.641 9.905 -5.118 1.00 0.00 O ATOM 981 OD2 ASP A 62 14.301 9.558 -6.500 1.00 0.00 O ATOM 0 H ASP A 62 12.243 5.371 -6.405 1.00 0.00 H new ATOM 0 HA ASP A 62 14.397 6.760 -5.266 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.009 7.494 -7.216 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.659 7.777 -6.136 1.00 0.00 H new ATOM 986 N GLY A 63 11.719 6.558 -3.398 1.00 0.00 N ATOM 987 CA GLY A 63 11.240 6.798 -2.056 1.00 0.00 C ATOM 988 C GLY A 63 9.732 6.847 -1.967 1.00 0.00 C ATOM 989 O GLY A 63 9.098 5.891 -1.515 1.00 0.00 O ATOM 0 H GLY A 63 11.111 5.978 -3.976 1.00 0.00 H new ATOM 0 HA2 GLY A 63 11.612 6.013 -1.398 1.00 0.00 H new ATOM 0 HA3 GLY A 63 11.651 7.740 -1.693 1.00 0.00 H new ATOM 993 N GLY A 64 9.150 7.958 -2.392 1.00 0.00 N ATOM 994 CA GLY A 64 7.716 8.119 -2.282 1.00 0.00 C ATOM 995 C GLY A 64 7.131 9.007 -3.359 1.00 0.00 C ATOM 996 O GLY A 64 6.114 9.666 -3.142 1.00 0.00 O ATOM 0 H GLY A 64 9.643 8.748 -2.809 1.00 0.00 H new ATOM 0 HA2 GLY A 64 7.242 7.139 -2.331 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.478 8.539 -1.305 1.00 0.00 H new ATOM 1000 N LEU A 65 7.760 9.026 -4.523 1.00 0.00 N ATOM 1001 CA LEU A 65 7.260 9.813 -5.638 1.00 0.00 C ATOM 1002 C LEU A 65 6.297 8.958 -6.450 1.00 0.00 C ATOM 1003 O LEU A 65 6.637 7.844 -6.854 1.00 0.00 O ATOM 1004 CB LEU A 65 8.427 10.309 -6.508 1.00 0.00 C ATOM 1005 CG LEU A 65 8.110 11.468 -7.470 1.00 0.00 C ATOM 1006 CD1 LEU A 65 9.398 12.127 -7.937 1.00 0.00 C ATOM 1007 CD2 LEU A 65 7.309 10.987 -8.674 1.00 0.00 C ATOM 0 H LEU A 65 8.616 8.507 -4.720 1.00 0.00 H new ATOM 0 HA LEU A 65 6.731 10.690 -5.265 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.237 10.622 -5.849 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.799 9.469 -7.094 1.00 0.00 H new ATOM 0 HG LEU A 65 7.505 12.196 -6.929 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.162 12.946 -8.617 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.941 12.516 -7.076 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.016 11.393 -8.454 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.102 11.830 -9.333 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.883 10.235 -9.216 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.369 10.552 -8.335 1.00 0.00 H new ATOM 1019 N THR A 66 5.094 9.468 -6.669 1.00 0.00 N ATOM 1020 CA THR A 66 4.084 8.729 -7.403 1.00 0.00 C ATOM 1021 C THR A 66 3.124 9.686 -8.104 1.00 0.00 C ATOM 1022 O THR A 66 3.155 10.896 -7.864 1.00 0.00 O ATOM 1023 CB THR A 66 3.302 7.777 -6.468 1.00 0.00 C ATOM 1024 OG1 THR A 66 2.506 6.869 -7.243 1.00 0.00 O ATOM 1025 CG2 THR A 66 2.408 8.552 -5.505 1.00 0.00 C ATOM 0 H THR A 66 4.796 10.389 -6.348 1.00 0.00 H new ATOM 0 HA THR A 66 4.591 8.126 -8.156 1.00 0.00 H new ATOM 0 HB THR A 66 4.029 7.216 -5.881 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.016 6.269 -6.643 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.873 7.853 -4.863 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.021 9.213 -4.891 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.691 9.145 -6.072 1.00 0.00 H new ATOM 1033 N THR A 67 2.277 9.138 -8.961 1.00 0.00 N ATOM 1034 CA THR A 67 1.349 9.932 -9.742 1.00 0.00 C ATOM 1035 C THR A 67 0.028 10.121 -9.002 1.00 0.00 C ATOM 1036 O THR A 67 -0.765 9.185 -8.872 1.00 0.00 O ATOM 1037 CB THR A 67 1.089 9.270 -11.109 1.00 0.00 C ATOM 1038 OG1 THR A 67 2.339 9.031 -11.769 1.00 0.00 O ATOM 1039 CG2 THR A 67 0.205 10.144 -11.988 1.00 0.00 C ATOM 0 H THR A 67 2.215 8.134 -9.133 1.00 0.00 H new ATOM 0 HA THR A 67 1.801 10.911 -9.899 1.00 0.00 H new ATOM 0 HB THR A 67 0.570 8.326 -10.939 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.175 8.608 -12.638 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.040 9.649 -12.945 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.753 10.306 -11.494 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.694 11.104 -12.155 1.00 0.00 H new ATOM 1047 N ALA A 68 -0.188 11.326 -8.498 1.00 0.00 N ATOM 1048 CA ALA A 68 -1.434 11.667 -7.835 1.00 0.00 C ATOM 1049 C ALA A 68 -1.861 13.079 -8.211 1.00 0.00 C ATOM 1050 O ALA A 68 -2.788 13.260 -9.003 1.00 0.00 O ATOM 1051 CB ALA A 68 -1.293 11.532 -6.325 1.00 0.00 C ATOM 0 H ALA A 68 0.489 12.088 -8.537 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.205 10.972 -8.167 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.237 11.792 -5.847 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.030 10.504 -6.075 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.510 12.203 -5.971 1.00 0.00 H new ATOM 1057 N GLU A 69 -1.143 14.066 -7.667 1.00 0.00 N ATOM 1058 CA GLU A 69 -1.447 15.483 -7.872 1.00 0.00 C ATOM 1059 C GLU A 69 -2.853 15.823 -7.382 1.00 0.00 C ATOM 1060 O GLU A 69 -3.852 15.500 -8.023 1.00 0.00 O ATOM 1061 CB GLU A 69 -1.272 15.871 -9.339 1.00 0.00 C ATOM 1062 CG GLU A 69 0.156 15.699 -9.833 1.00 0.00 C ATOM 1063 CD GLU A 69 1.149 16.546 -9.062 1.00 0.00 C ATOM 1064 OE1 GLU A 69 1.681 16.071 -8.034 1.00 0.00 O ATOM 1065 OE2 GLU A 69 1.409 17.693 -9.487 1.00 0.00 O ATOM 0 H GLU A 69 -0.332 13.903 -7.070 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.739 16.064 -7.281 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.938 15.264 -9.952 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.574 16.910 -9.473 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.440 14.650 -9.752 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.204 15.962 -10.890 1.00 0.00 H new ATOM 1072 N ARG A 70 -2.919 16.487 -6.241 1.00 0.00 N ATOM 1073 CA ARG A 70 -4.190 16.770 -5.588 1.00 0.00 C ATOM 1074 C ARG A 70 -4.895 17.950 -6.259 1.00 0.00 C ATOM 1075 O ARG A 70 -4.880 19.065 -5.739 1.00 0.00 O ATOM 1076 CB ARG A 70 -3.948 17.057 -4.105 1.00 0.00 C ATOM 1077 CG ARG A 70 -2.961 16.088 -3.476 1.00 0.00 C ATOM 1078 CD ARG A 70 -2.643 16.447 -2.036 1.00 0.00 C ATOM 1079 NE ARG A 70 -3.691 16.027 -1.110 1.00 0.00 N ATOM 1080 CZ ARG A 70 -3.545 15.022 -0.245 1.00 0.00 C ATOM 1081 NH1 ARG A 70 -2.427 14.302 -0.246 1.00 0.00 N ATOM 1082 NH2 ARG A 70 -4.519 14.721 0.604 1.00 0.00 N ATOM 0 H ARG A 70 -2.103 16.843 -5.743 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.839 15.899 -5.682 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.575 18.075 -3.992 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.896 17.004 -3.569 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.371 15.079 -3.515 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.040 16.081 -4.059 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -1.701 15.981 -1.748 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -2.503 17.525 -1.956 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.580 16.527 -1.125 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -1.682 14.518 -0.908 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.315 13.533 0.415 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.385 15.259 0.598 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.401 13.951 1.263 1.00 0.00 H new ATOM 1096 N GLN A 71 -5.473 17.689 -7.433 1.00 0.00 N ATOM 1097 CA GLN A 71 -6.213 18.694 -8.202 1.00 0.00 C ATOM 1098 C GLN A 71 -5.320 19.838 -8.672 1.00 0.00 C ATOM 1099 O GLN A 71 -5.034 20.777 -7.928 1.00 0.00 O ATOM 1100 CB GLN A 71 -7.404 19.242 -7.410 1.00 0.00 C ATOM 1101 CG GLN A 71 -8.603 18.313 -7.419 1.00 0.00 C ATOM 1102 CD GLN A 71 -9.144 18.087 -8.819 1.00 0.00 C ATOM 1103 OE1 GLN A 71 -9.054 19.101 -9.667 1.00 0.00 O flip ATOM 1104 NE2 GLN A 71 -9.656 17.014 -9.133 1.00 0.00 N flip ATOM 0 H GLN A 71 -5.442 16.772 -7.879 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.591 18.184 -9.088 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -7.097 19.419 -6.379 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.696 20.206 -7.825 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.321 17.355 -6.981 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.389 18.732 -6.791 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.708 16.255 -8.453 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.029 16.883 -10.073 1.00 0.00 H new ATOM 1113 N ARG A 72 -4.888 19.748 -9.920 1.00 0.00 N ATOM 1114 CA ARG A 72 -4.064 20.780 -10.524 1.00 0.00 C ATOM 1115 C ARG A 72 -4.906 22.019 -10.828 1.00 0.00 C ATOM 1116 O ARG A 72 -4.427 23.149 -10.724 1.00 0.00 O ATOM 1117 CB ARG A 72 -3.409 20.238 -11.795 1.00 0.00 C ATOM 1118 CG ARG A 72 -2.405 21.182 -12.432 1.00 0.00 C ATOM 1119 CD ARG A 72 -1.635 20.487 -13.542 1.00 0.00 C ATOM 1120 NE ARG A 72 -0.672 21.375 -14.186 1.00 0.00 N ATOM 1121 CZ ARG A 72 0.511 20.976 -14.649 1.00 0.00 C ATOM 1122 NH1 ARG A 72 0.920 19.728 -14.448 1.00 0.00 N ATOM 1123 NH2 ARG A 72 1.299 21.834 -15.280 1.00 0.00 N ATOM 0 H ARG A 72 -5.097 18.964 -10.538 1.00 0.00 H new ATOM 0 HA ARG A 72 -3.279 21.070 -9.825 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -2.908 19.299 -11.560 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.188 20.010 -12.522 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.923 22.053 -12.834 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.710 21.545 -11.675 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.112 19.623 -13.133 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.336 20.112 -14.288 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.920 22.359 -14.287 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.327 19.073 -13.938 1.00 0.00 H new ATOM 0 HH12 ARG A 72 1.827 19.425 -14.804 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.999 22.800 -15.411 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.205 21.528 -15.635 1.00 0.00 H new ATOM 1137 N LEU A 73 -6.160 21.800 -11.200 1.00 0.00 N ATOM 1138 CA LEU A 73 -7.109 22.890 -11.395 1.00 0.00 C ATOM 1139 C LEU A 73 -8.006 23.025 -10.170 1.00 0.00 C ATOM 1140 O LEU A 73 -7.918 22.219 -9.241 1.00 0.00 O ATOM 1141 CB LEU A 73 -7.966 22.655 -12.644 1.00 0.00 C ATOM 1142 CG LEU A 73 -7.201 22.621 -13.968 1.00 0.00 C ATOM 1143 CD1 LEU A 73 -8.160 22.430 -15.130 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -6.394 23.896 -14.153 1.00 0.00 C ATOM 0 H LEU A 73 -6.546 20.872 -11.374 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.545 23.812 -11.534 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.497 21.711 -12.527 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.720 23.440 -12.700 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.511 21.777 -13.944 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.599 22.408 -16.065 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.698 21.490 -15.007 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.872 23.255 -15.153 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.857 23.852 -15.101 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.066 24.755 -14.156 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.680 23.996 -13.336 1.00 0.00 H new ATOM 1156 N LYS A 74 -8.873 24.033 -10.175 1.00 0.00 N ATOM 1157 CA LYS A 74 -9.759 24.282 -9.042 1.00 0.00 C ATOM 1158 C LYS A 74 -10.845 23.220 -8.974 1.00 0.00 C ATOM 1159 O LYS A 74 -10.963 22.490 -7.990 1.00 0.00 O ATOM 1160 CB LYS A 74 -10.422 25.666 -9.130 1.00 0.00 C ATOM 1161 CG LYS A 74 -9.456 26.842 -9.076 1.00 0.00 C ATOM 1162 CD LYS A 74 -8.809 27.110 -10.424 1.00 0.00 C ATOM 1163 CE LYS A 74 -7.944 28.355 -10.382 1.00 0.00 C ATOM 1164 NZ LYS A 74 -7.368 28.669 -11.714 1.00 0.00 N ATOM 0 H LYS A 74 -8.981 24.689 -10.948 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.145 24.246 -8.142 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.990 25.723 -10.059 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.137 25.763 -8.313 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.989 27.734 -8.746 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.682 26.641 -8.336 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.202 26.253 -10.715 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.582 27.227 -11.184 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.539 29.200 -10.034 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.139 28.214 -9.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.783 29.526 -11.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.780 27.873 -12.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.137 28.828 -12.396 1.00 0.00 H new ATOM 1178 N GLU A 75 -11.629 23.137 -10.033 1.00 0.00 N ATOM 1179 CA GLU A 75 -12.743 22.211 -10.091 1.00 0.00 C ATOM 1180 C GLU A 75 -12.324 20.889 -10.716 1.00 0.00 C ATOM 1181 O GLU A 75 -11.737 20.866 -11.799 1.00 0.00 O ATOM 1182 CB GLU A 75 -13.888 22.815 -10.904 1.00 0.00 C ATOM 1183 CG GLU A 75 -14.619 23.943 -10.198 1.00 0.00 C ATOM 1184 CD GLU A 75 -15.453 23.451 -9.034 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -16.458 22.743 -9.276 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -15.121 23.781 -7.879 1.00 0.00 O ATOM 0 H GLU A 75 -11.512 23.706 -10.872 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.076 22.025 -9.070 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -13.492 23.188 -11.849 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.603 22.028 -11.146 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -13.894 24.673 -9.839 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -15.263 24.457 -10.911 1.00 0.00 H new ATOM 1193 N PRO A 76 -12.613 19.770 -10.038 1.00 0.00 N ATOM 1194 CA PRO A 76 -12.445 18.441 -10.620 1.00 0.00 C ATOM 1195 C PRO A 76 -13.349 18.287 -11.832 1.00 0.00 C ATOM 1196 O PRO A 76 -12.983 17.657 -12.825 1.00 0.00 O ATOM 1197 CB PRO A 76 -12.882 17.488 -9.499 1.00 0.00 C ATOM 1198 CG PRO A 76 -12.802 18.298 -8.249 1.00 0.00 C ATOM 1199 CD PRO A 76 -13.103 19.711 -8.654 1.00 0.00 C ATOM 0 HA PRO A 76 -11.427 18.249 -10.959 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -13.894 17.120 -9.666 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -12.230 16.616 -9.446 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -13.518 17.943 -7.507 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.812 18.223 -7.798 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -14.169 19.930 -8.594 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -12.593 20.431 -8.014 1.00 0.00 H new ATOM 1207 N GLU A 77 -14.535 18.886 -11.717 1.00 0.00 N ATOM 1208 CA GLU A 77 -15.515 18.939 -12.792 1.00 0.00 C ATOM 1209 C GLU A 77 -15.816 17.541 -13.324 1.00 0.00 C ATOM 1210 O GLU A 77 -15.607 17.243 -14.504 1.00 0.00 O ATOM 1211 CB GLU A 77 -15.029 19.859 -13.913 1.00 0.00 C ATOM 1212 CG GLU A 77 -16.138 20.311 -14.847 1.00 0.00 C ATOM 1213 CD GLU A 77 -15.634 21.219 -15.943 1.00 0.00 C ATOM 1214 OE1 GLU A 77 -15.246 20.709 -17.010 1.00 0.00 O ATOM 1215 OE2 GLU A 77 -15.633 22.450 -15.745 1.00 0.00 O ATOM 0 H GLU A 77 -14.841 19.352 -10.863 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.442 19.349 -12.391 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.555 20.736 -13.473 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.265 19.341 -14.492 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.612 19.437 -15.293 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -16.904 20.831 -14.272 1.00 0.00 H new ATOM 1222 N ARG A 78 -16.303 16.686 -12.438 1.00 0.00 N ATOM 1223 CA ARG A 78 -16.666 15.329 -12.811 1.00 0.00 C ATOM 1224 C ARG A 78 -18.011 15.324 -13.532 1.00 0.00 C ATOM 1225 O ARG A 78 -19.039 14.936 -12.975 1.00 0.00 O ATOM 1226 CB ARG A 78 -16.684 14.405 -11.582 1.00 0.00 C ATOM 1227 CG ARG A 78 -17.491 14.935 -10.402 1.00 0.00 C ATOM 1228 CD ARG A 78 -17.386 14.010 -9.200 1.00 0.00 C ATOM 1229 NE ARG A 78 -18.110 14.525 -8.038 1.00 0.00 N ATOM 1230 CZ ARG A 78 -17.594 14.601 -6.811 1.00 0.00 C ATOM 1231 NH1 ARG A 78 -16.353 14.182 -6.585 1.00 0.00 N ATOM 1232 NH2 ARG A 78 -18.323 15.089 -5.815 1.00 0.00 N ATOM 0 H ARG A 78 -16.456 16.909 -11.454 1.00 0.00 H new ATOM 0 HA ARG A 78 -15.911 14.942 -13.496 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -17.089 13.437 -11.877 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -15.658 14.235 -11.256 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -17.133 15.928 -10.131 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -18.536 15.041 -10.692 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -17.779 13.028 -9.464 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -16.336 13.874 -8.940 1.00 0.00 H new ATOM 0 HE ARG A 78 -19.069 14.846 -8.175 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -15.796 13.802 -7.350 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.958 14.240 -5.646 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -19.277 15.405 -5.989 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -17.929 15.148 -4.876 1.00 0.00 H new ATOM 1246 N GLU A 79 -17.996 15.785 -14.776 1.00 0.00 N ATOM 1247 CA GLU A 79 -19.213 15.904 -15.555 1.00 0.00 C ATOM 1248 C GLU A 79 -19.571 14.565 -16.188 1.00 0.00 C ATOM 1249 O GLU A 79 -19.382 14.348 -17.386 1.00 0.00 O ATOM 1250 CB GLU A 79 -19.078 17.002 -16.615 1.00 0.00 C ATOM 1251 CG GLU A 79 -20.361 17.262 -17.384 1.00 0.00 C ATOM 1252 CD GLU A 79 -20.274 18.478 -18.279 1.00 0.00 C ATOM 1253 OE1 GLU A 79 -19.556 18.425 -19.297 1.00 0.00 O ATOM 1254 OE2 GLU A 79 -20.929 19.494 -17.966 1.00 0.00 O ATOM 0 H GLU A 79 -17.151 16.082 -15.264 1.00 0.00 H new ATOM 0 HA GLU A 79 -20.025 16.190 -14.887 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -18.760 17.926 -16.132 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -18.293 16.723 -17.318 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -20.599 16.388 -17.990 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -21.181 17.394 -16.678 1.00 0.00 H new ATOM 1261 N ASN A 80 -20.034 13.659 -15.345 1.00 0.00 N ATOM 1262 CA ASN A 80 -20.540 12.365 -15.770 1.00 0.00 C ATOM 1263 C ASN A 80 -21.559 11.915 -14.732 1.00 0.00 C ATOM 1264 O ASN A 80 -21.617 10.751 -14.341 1.00 0.00 O ATOM 1265 CB ASN A 80 -19.394 11.346 -15.905 1.00 0.00 C ATOM 1266 CG ASN A 80 -19.801 10.070 -16.632 1.00 0.00 C ATOM 1267 OD1 ASN A 80 -20.171 9.067 -16.016 1.00 0.00 O ATOM 1268 ND2 ASN A 80 -19.729 10.100 -17.953 1.00 0.00 N ATOM 0 H ASN A 80 -20.070 13.802 -14.336 1.00 0.00 H new ATOM 0 HA ASN A 80 -21.009 12.439 -16.751 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -18.565 11.811 -16.439 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -19.028 11.088 -14.911 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -19.984 9.275 -18.497 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -19.418 10.948 -18.428 1.00 0.00 H new ATOM 1275 N ARG A 81 -22.350 12.885 -14.277 1.00 0.00 N ATOM 1276 CA ARG A 81 -23.361 12.659 -13.249 1.00 0.00 C ATOM 1277 C ARG A 81 -24.384 11.637 -13.727 1.00 0.00 C ATOM 1278 O ARG A 81 -24.840 10.787 -12.959 1.00 0.00 O ATOM 1279 CB ARG A 81 -24.042 13.987 -12.899 1.00 0.00 C ATOM 1280 CG ARG A 81 -23.101 14.996 -12.253 1.00 0.00 C ATOM 1281 CD ARG A 81 -23.694 16.397 -12.231 1.00 0.00 C ATOM 1282 NE ARG A 81 -22.874 17.317 -11.444 1.00 0.00 N ATOM 1283 CZ ARG A 81 -22.350 18.450 -11.908 1.00 0.00 C ATOM 1284 NH1 ARG A 81 -22.594 18.853 -13.150 1.00 0.00 N ATOM 1285 NH2 ARG A 81 -21.606 19.202 -11.110 1.00 0.00 N ATOM 0 H ARG A 81 -22.307 13.848 -14.611 1.00 0.00 H new ATOM 0 HA ARG A 81 -22.882 12.262 -12.354 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -24.462 14.422 -13.806 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -24.875 13.793 -12.223 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -22.877 14.681 -11.234 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -22.157 15.011 -12.797 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -23.784 16.771 -13.251 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -24.701 16.360 -11.815 1.00 0.00 H new ATOM 0 HE ARG A 81 -22.690 17.074 -10.471 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -23.189 18.293 -13.760 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -22.187 19.723 -13.493 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -21.438 18.912 -10.147 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -21.202 20.071 -11.459 1.00 0.00 H new ATOM 1299 N GLU A 82 -24.743 11.724 -14.999 1.00 0.00 N ATOM 1300 CA GLU A 82 -25.570 10.708 -15.620 1.00 0.00 C ATOM 1301 C GLU A 82 -24.688 9.514 -15.954 1.00 0.00 C ATOM 1302 O GLU A 82 -23.933 9.545 -16.929 1.00 0.00 O ATOM 1303 CB GLU A 82 -26.245 11.223 -16.900 1.00 0.00 C ATOM 1304 CG GLU A 82 -26.863 12.609 -16.783 1.00 0.00 C ATOM 1305 CD GLU A 82 -25.849 13.719 -16.988 1.00 0.00 C ATOM 1306 OE1 GLU A 82 -25.531 14.027 -18.159 1.00 0.00 O ATOM 1307 OE2 GLU A 82 -25.364 14.284 -15.987 1.00 0.00 O ATOM 0 H GLU A 82 -24.473 12.488 -15.618 1.00 0.00 H new ATOM 0 HA GLU A 82 -26.361 10.428 -14.925 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -25.508 11.236 -17.703 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -27.023 10.518 -17.193 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -27.661 12.710 -17.519 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -27.321 12.717 -15.800 1.00 0.00 H new ATOM 1314 N LEU A 83 -24.755 8.483 -15.128 1.00 0.00 N ATOM 1315 CA LEU A 83 -23.911 7.315 -15.304 1.00 0.00 C ATOM 1316 C LEU A 83 -24.387 6.484 -16.491 1.00 0.00 C ATOM 1317 O LEU A 83 -25.192 5.563 -16.346 1.00 0.00 O ATOM 1318 CB LEU A 83 -23.886 6.479 -14.023 1.00 0.00 C ATOM 1319 CG LEU A 83 -23.263 7.181 -12.815 1.00 0.00 C ATOM 1320 CD1 LEU A 83 -23.395 6.324 -11.568 1.00 0.00 C ATOM 1321 CD2 LEU A 83 -21.800 7.509 -13.086 1.00 0.00 C ATOM 0 H LEU A 83 -25.386 8.432 -14.328 1.00 0.00 H new ATOM 0 HA LEU A 83 -22.894 7.647 -15.513 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -24.907 6.192 -13.773 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -23.334 5.559 -14.216 1.00 0.00 H new ATOM 0 HG LEU A 83 -23.801 8.114 -12.646 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -22.945 6.842 -10.721 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -24.450 6.140 -11.363 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -22.885 5.373 -11.724 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -21.372 8.008 -12.217 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -21.251 6.588 -13.283 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -21.729 8.166 -13.953 1.00 0.00 H new ATOM 1333 N ARG A 84 -23.907 6.851 -17.669 1.00 0.00 N ATOM 1334 CA ARG A 84 -24.257 6.169 -18.907 1.00 0.00 C ATOM 1335 C ARG A 84 -23.079 5.343 -19.402 1.00 0.00 C ATOM 1336 O ARG A 84 -22.834 5.233 -20.603 1.00 0.00 O ATOM 1337 CB ARG A 84 -24.681 7.199 -19.957 1.00 0.00 C ATOM 1338 CG ARG A 84 -23.698 8.353 -20.119 1.00 0.00 C ATOM 1339 CD ARG A 84 -24.268 9.448 -21.004 1.00 0.00 C ATOM 1340 NE ARG A 84 -23.466 10.672 -20.950 1.00 0.00 N ATOM 1341 CZ ARG A 84 -23.884 11.805 -20.382 1.00 0.00 C ATOM 1342 NH1 ARG A 84 -25.086 11.866 -19.823 1.00 0.00 N ATOM 1343 NH2 ARG A 84 -23.110 12.882 -20.376 1.00 0.00 N ATOM 0 H ARG A 84 -23.262 7.632 -17.795 1.00 0.00 H new ATOM 0 HA ARG A 84 -25.092 5.492 -18.725 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -24.799 6.697 -20.917 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -25.657 7.601 -19.685 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -23.454 8.765 -19.140 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -22.768 7.983 -20.550 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -24.318 9.093 -22.033 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -25.289 9.670 -20.694 1.00 0.00 H new ATOM 0 HE ARG A 84 -22.536 10.658 -21.370 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -25.692 11.046 -19.827 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -25.403 12.733 -19.389 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -22.187 12.849 -20.808 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -23.438 13.743 -19.939 1.00 0.00 H new ATOM 1357 N ARG A 85 -22.362 4.757 -18.458 1.00 0.00 N ATOM 1358 CA ARG A 85 -21.208 3.935 -18.774 1.00 0.00 C ATOM 1359 C ARG A 85 -21.631 2.475 -18.895 1.00 0.00 C ATOM 1360 O ARG A 85 -22.677 2.082 -18.377 1.00 0.00 O ATOM 1361 CB ARG A 85 -20.141 4.059 -17.683 1.00 0.00 C ATOM 1362 CG ARG A 85 -19.798 5.487 -17.284 1.00 0.00 C ATOM 1363 CD ARG A 85 -18.703 5.494 -16.229 1.00 0.00 C ATOM 1364 NE ARG A 85 -18.500 6.811 -15.630 1.00 0.00 N ATOM 1365 CZ ARG A 85 -17.304 7.306 -15.319 1.00 0.00 C ATOM 1366 NH1 ARG A 85 -16.200 6.680 -15.709 1.00 0.00 N ATOM 1367 NH2 ARG A 85 -17.215 8.444 -14.642 1.00 0.00 N ATOM 0 H ARG A 85 -22.561 4.837 -17.461 1.00 0.00 H new ATOM 0 HA ARG A 85 -20.791 4.280 -19.720 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -20.482 3.522 -16.798 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -19.232 3.564 -18.026 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -19.471 6.048 -18.160 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -20.686 5.987 -16.898 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -18.955 4.779 -15.446 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -17.769 5.157 -16.679 1.00 0.00 H new ATOM 0 HE ARG A 85 -19.322 7.384 -15.439 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -16.267 5.817 -16.249 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -15.285 7.062 -15.469 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -18.062 8.938 -14.361 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -16.300 8.825 -14.403 1.00 0.00 H new ATOM 1381 N SER A 86 -20.821 1.677 -19.571 1.00 0.00 N ATOM 1382 CA SER A 86 -21.063 0.247 -19.651 1.00 0.00 C ATOM 1383 C SER A 86 -20.497 -0.444 -18.415 1.00 0.00 C ATOM 1384 O SER A 86 -19.297 -0.711 -18.332 1.00 0.00 O ATOM 1385 CB SER A 86 -20.444 -0.329 -20.927 1.00 0.00 C ATOM 1386 OG SER A 86 -21.022 0.263 -22.079 1.00 0.00 O ATOM 0 H SER A 86 -19.991 1.995 -20.072 1.00 0.00 H new ATOM 0 HA SER A 86 -22.138 0.070 -19.687 1.00 0.00 H new ATOM 0 HB2 SER A 86 -19.368 -0.156 -20.925 1.00 0.00 H new ATOM 0 HB3 SER A 86 -20.593 -1.408 -20.954 1.00 0.00 H new ATOM 0 HG SER A 86 -20.611 -0.118 -22.883 1.00 0.00 H new ATOM 1392 N ASN A 87 -21.363 -0.697 -17.444 1.00 0.00 N ATOM 1393 CA ASN A 87 -20.951 -1.316 -16.189 1.00 0.00 C ATOM 1394 C ASN A 87 -21.175 -2.820 -16.230 1.00 0.00 C ATOM 1395 O ASN A 87 -20.412 -3.587 -15.641 1.00 0.00 O ATOM 1396 CB ASN A 87 -21.708 -0.701 -15.003 1.00 0.00 C ATOM 1397 CG ASN A 87 -23.217 -0.862 -15.115 1.00 0.00 C ATOM 1398 OD1 ASN A 87 -23.894 -0.028 -15.711 1.00 0.00 O ATOM 1399 ND2 ASN A 87 -23.759 -1.920 -14.529 1.00 0.00 N ATOM 0 H ASN A 87 -22.359 -0.483 -17.500 1.00 0.00 H new ATOM 0 HA ASN A 87 -19.886 -1.127 -16.056 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -21.366 -1.167 -14.079 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -21.465 0.359 -14.934 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -24.769 -2.061 -14.565 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -23.167 -2.593 -14.043 1.00 0.00 H new ATOM 1406 N ASP A 88 -22.210 -3.242 -16.944 1.00 0.00 N ATOM 1407 CA ASP A 88 -22.553 -4.654 -17.025 1.00 0.00 C ATOM 1408 C ASP A 88 -22.450 -5.128 -18.465 1.00 0.00 C ATOM 1409 O ASP A 88 -22.984 -4.488 -19.374 1.00 0.00 O ATOM 1410 CB ASP A 88 -23.964 -4.901 -16.480 1.00 0.00 C ATOM 1411 CG ASP A 88 -24.295 -6.374 -16.361 1.00 0.00 C ATOM 1412 OD1 ASP A 88 -23.762 -7.033 -15.442 1.00 0.00 O ATOM 1413 OD2 ASP A 88 -25.083 -6.883 -17.181 1.00 0.00 O ATOM 0 H ASP A 88 -22.826 -2.626 -17.475 1.00 0.00 H new ATOM 0 HA ASP A 88 -21.850 -5.220 -16.414 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -24.058 -4.431 -15.501 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -24.691 -4.421 -17.135 1.00 0.00 H new ATOM 1418 N ILE A 89 -21.749 -6.232 -18.674 1.00 0.00 N ATOM 1419 CA ILE A 89 -21.512 -6.737 -20.019 1.00 0.00 C ATOM 1420 C ILE A 89 -22.550 -7.787 -20.398 1.00 0.00 C ATOM 1421 O ILE A 89 -22.499 -8.929 -19.926 1.00 0.00 O ATOM 1422 CB ILE A 89 -20.095 -7.341 -20.159 1.00 0.00 C ATOM 1423 CG1 ILE A 89 -19.037 -6.306 -19.764 1.00 0.00 C ATOM 1424 CG2 ILE A 89 -19.859 -7.833 -21.585 1.00 0.00 C ATOM 1425 CD1 ILE A 89 -17.618 -6.833 -19.815 1.00 0.00 C ATOM 0 H ILE A 89 -21.335 -6.795 -17.931 1.00 0.00 H new ATOM 0 HA ILE A 89 -21.596 -5.888 -20.697 1.00 0.00 H new ATOM 0 HB ILE A 89 -20.014 -8.195 -19.487 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -19.119 -5.445 -20.427 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -19.247 -5.952 -18.755 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -18.857 -8.254 -21.663 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -20.595 -8.598 -21.832 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -19.957 -6.998 -22.279 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -16.926 -6.043 -19.522 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -17.518 -7.675 -19.130 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -17.388 -7.160 -20.829 1.00 0.00 H new ATOM 1437 N LEU A 90 -23.494 -7.394 -21.242 1.00 0.00 N ATOM 1438 CA LEU A 90 -24.520 -8.308 -21.718 1.00 0.00 C ATOM 1439 C LEU A 90 -23.978 -9.164 -22.857 1.00 0.00 C ATOM 1440 O LEU A 90 -24.127 -8.827 -24.032 1.00 0.00 O ATOM 1441 CB LEU A 90 -25.779 -7.554 -22.179 1.00 0.00 C ATOM 1442 CG LEU A 90 -26.660 -6.966 -21.067 1.00 0.00 C ATOM 1443 CD1 LEU A 90 -25.971 -5.797 -20.375 1.00 0.00 C ATOM 1444 CD2 LEU A 90 -28.001 -6.529 -21.636 1.00 0.00 C ATOM 0 H LEU A 90 -23.570 -6.446 -21.611 1.00 0.00 H new ATOM 0 HA LEU A 90 -24.801 -8.953 -20.885 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -25.471 -6.742 -22.838 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -26.387 -8.234 -22.775 1.00 0.00 H new ATOM 0 HG LEU A 90 -26.827 -7.744 -20.322 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -26.620 -5.403 -19.593 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -25.035 -6.137 -19.932 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -25.764 -5.013 -21.104 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -28.617 -6.114 -20.838 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -27.841 -5.771 -22.403 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -28.507 -7.389 -22.075 1.00 0.00 H new ATOM 1456 N ARG A 91 -23.314 -10.253 -22.497 1.00 0.00 N ATOM 1457 CA ARG A 91 -22.748 -11.163 -23.482 1.00 0.00 C ATOM 1458 C ARG A 91 -23.834 -12.083 -24.027 1.00 0.00 C ATOM 1459 O ARG A 91 -24.151 -12.048 -25.217 1.00 0.00 O ATOM 1460 CB ARG A 91 -21.597 -11.966 -22.862 1.00 0.00 C ATOM 1461 CG ARG A 91 -20.978 -12.989 -23.803 1.00 0.00 C ATOM 1462 CD ARG A 91 -19.663 -13.525 -23.262 1.00 0.00 C ATOM 1463 NE ARG A 91 -19.792 -14.031 -21.897 1.00 0.00 N ATOM 1464 CZ ARG A 91 -18.758 -14.353 -21.121 1.00 0.00 C ATOM 1465 NH1 ARG A 91 -17.520 -14.307 -21.601 1.00 0.00 N ATOM 1466 NH2 ARG A 91 -18.964 -14.736 -19.868 1.00 0.00 N ATOM 0 H ARG A 91 -23.154 -10.528 -21.528 1.00 0.00 H new ATOM 0 HA ARG A 91 -22.344 -10.586 -24.314 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -20.821 -11.275 -22.533 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -21.964 -12.480 -21.974 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -21.674 -13.815 -23.952 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -20.811 -12.532 -24.779 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -19.304 -14.324 -23.911 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -18.913 -12.734 -23.285 1.00 0.00 H new ATOM 0 HE ARG A 91 -20.731 -14.145 -21.515 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -17.358 -14.024 -22.568 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -16.732 -14.554 -21.003 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -19.914 -14.784 -19.499 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -18.173 -14.983 -19.273 1.00 0.00 H new ATOM 1480 N LEU A 92 -24.413 -12.889 -23.153 1.00 0.00 N ATOM 1481 CA LEU A 92 -25.547 -13.716 -23.521 1.00 0.00 C ATOM 1482 C LEU A 92 -26.829 -12.986 -23.163 1.00 0.00 C ATOM 1483 O LEU A 92 -27.801 -13.013 -23.915 1.00 0.00 O ATOM 1484 CB LEU A 92 -25.497 -15.067 -22.802 1.00 0.00 C ATOM 1485 CG LEU A 92 -26.656 -16.018 -23.113 1.00 0.00 C ATOM 1486 CD1 LEU A 92 -26.666 -16.388 -24.590 1.00 0.00 C ATOM 1487 CD2 LEU A 92 -26.559 -17.263 -22.249 1.00 0.00 C ATOM 0 H LEU A 92 -24.115 -12.987 -22.182 1.00 0.00 H new ATOM 0 HA LEU A 92 -25.513 -13.905 -24.594 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -24.562 -15.563 -23.061 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -25.475 -14.887 -21.727 1.00 0.00 H new ATOM 0 HG LEU A 92 -27.593 -15.510 -22.885 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -27.497 -17.064 -24.790 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -26.780 -15.485 -25.190 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -25.728 -16.879 -24.848 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -27.389 -17.931 -22.479 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -25.616 -17.772 -22.449 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -26.602 -16.980 -21.197 1.00 0.00 H new ATOM 1499 N ALA A 93 -26.807 -12.333 -22.001 1.00 0.00 N ATOM 1500 CA ALA A 93 -27.928 -11.532 -21.522 1.00 0.00 C ATOM 1501 C ALA A 93 -29.196 -12.365 -21.419 1.00 0.00 C ATOM 1502 O ALA A 93 -30.284 -11.891 -21.742 1.00 0.00 O ATOM 1503 CB ALA A 93 -28.148 -10.329 -22.430 1.00 0.00 C ATOM 0 H ALA A 93 -26.009 -12.346 -21.366 1.00 0.00 H new ATOM 0 HA ALA A 93 -27.683 -11.174 -20.522 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -28.988 -9.742 -22.059 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -27.250 -9.712 -22.440 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -28.364 -10.672 -23.442 1.00 0.00 H new ATOM 1509 N SER A 94 -29.051 -13.601 -20.953 1.00 0.00 N ATOM 1510 CA SER A 94 -30.185 -14.492 -20.796 1.00 0.00 C ATOM 1511 C SER A 94 -31.179 -13.925 -19.788 1.00 0.00 C ATOM 1512 O SER A 94 -30.962 -13.977 -18.576 1.00 0.00 O ATOM 1513 CB SER A 94 -29.706 -15.882 -20.371 1.00 0.00 C ATOM 1514 OG SER A 94 -28.647 -15.793 -19.427 1.00 0.00 O ATOM 0 H SER A 94 -28.156 -14.005 -20.678 1.00 0.00 H new ATOM 0 HA SER A 94 -30.696 -14.582 -21.755 1.00 0.00 H new ATOM 0 HB2 SER A 94 -30.537 -16.440 -19.938 1.00 0.00 H new ATOM 0 HB3 SER A 94 -29.371 -16.438 -21.247 1.00 0.00 H new ATOM 0 HG SER A 94 -28.914 -15.205 -18.690 1.00 0.00 H new ATOM 1520 N ALA A 95 -32.253 -13.350 -20.306 1.00 0.00 N ATOM 1521 CA ALA A 95 -33.272 -12.739 -19.473 1.00 0.00 C ATOM 1522 C ALA A 95 -34.345 -13.750 -19.098 1.00 0.00 C ATOM 1523 O ALA A 95 -34.578 -14.727 -19.813 1.00 0.00 O ATOM 1524 CB ALA A 95 -33.890 -11.538 -20.181 1.00 0.00 C ATOM 0 H ALA A 95 -32.440 -13.295 -21.307 1.00 0.00 H new ATOM 0 HA ALA A 95 -32.798 -12.393 -18.554 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -34.652 -11.092 -19.542 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -33.115 -10.801 -20.391 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -34.345 -11.862 -21.117 1.00 0.00 H new ATOM 1530 N TYR A 96 -34.978 -13.516 -17.965 1.00 0.00 N ATOM 1531 CA TYR A 96 -36.064 -14.362 -17.514 1.00 0.00 C ATOM 1532 C TYR A 96 -37.359 -13.900 -18.162 1.00 0.00 C ATOM 1533 O TYR A 96 -37.890 -12.841 -17.812 1.00 0.00 O ATOM 1534 CB TYR A 96 -36.162 -14.320 -15.988 1.00 0.00 C ATOM 1535 CG TYR A 96 -34.906 -14.814 -15.299 1.00 0.00 C ATOM 1536 CD1 TYR A 96 -33.837 -13.957 -15.056 1.00 0.00 C ATOM 1537 CD2 TYR A 96 -34.787 -16.139 -14.899 1.00 0.00 C ATOM 1538 CE1 TYR A 96 -32.687 -14.411 -14.438 1.00 0.00 C ATOM 1539 CE2 TYR A 96 -33.640 -16.598 -14.283 1.00 0.00 C ATOM 1540 CZ TYR A 96 -32.594 -15.731 -14.052 1.00 0.00 C ATOM 1541 OH TYR A 96 -31.449 -16.190 -13.441 1.00 0.00 O ATOM 0 H TYR A 96 -34.757 -12.743 -17.338 1.00 0.00 H new ATOM 0 HA TYR A 96 -35.876 -15.395 -17.807 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -36.365 -13.297 -15.671 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -37.008 -14.927 -15.667 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -33.907 -12.922 -15.355 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -35.606 -16.822 -15.073 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -31.865 -13.734 -14.258 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -33.563 -17.633 -13.983 1.00 0.00 H new ATOM 0 HH TYR A 96 -31.549 -17.142 -13.233 1.00 0.00 H new ATOM 1551 N PHE A 97 -37.840 -14.695 -19.120 1.00 0.00 N ATOM 1552 CA PHE A 97 -38.979 -14.332 -19.962 1.00 0.00 C ATOM 1553 C PHE A 97 -38.603 -13.172 -20.881 1.00 0.00 C ATOM 1554 O PHE A 97 -38.269 -13.380 -22.051 1.00 0.00 O ATOM 1555 CB PHE A 97 -40.213 -13.989 -19.106 1.00 0.00 C ATOM 1556 CG PHE A 97 -41.410 -13.529 -19.893 1.00 0.00 C ATOM 1557 CD1 PHE A 97 -42.142 -14.421 -20.658 1.00 0.00 C ATOM 1558 CD2 PHE A 97 -41.800 -12.198 -19.865 1.00 0.00 C ATOM 1559 CE1 PHE A 97 -43.242 -13.995 -21.378 1.00 0.00 C ATOM 1560 CE2 PHE A 97 -42.898 -11.768 -20.582 1.00 0.00 C ATOM 1561 CZ PHE A 97 -43.620 -12.667 -21.340 1.00 0.00 C ATOM 0 H PHE A 97 -37.448 -15.612 -19.333 1.00 0.00 H new ATOM 0 HA PHE A 97 -39.241 -15.190 -20.581 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -40.492 -14.868 -18.525 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -39.941 -13.210 -18.394 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -41.850 -15.460 -20.692 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -41.237 -11.490 -19.275 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -43.806 -14.700 -21.970 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -43.192 -10.729 -20.550 1.00 0.00 H new ATOM 0 HZ PHE A 97 -44.479 -12.333 -21.903 1.00 0.00 H new ATOM 1571 N ALA A 98 -38.617 -11.969 -20.316 1.00 0.00 N ATOM 1572 CA ALA A 98 -38.318 -10.727 -21.023 1.00 0.00 C ATOM 1573 C ALA A 98 -38.670 -9.564 -20.112 1.00 0.00 C ATOM 1574 O ALA A 98 -39.056 -9.777 -18.959 1.00 0.00 O ATOM 1575 CB ALA A 98 -39.104 -10.616 -22.328 1.00 0.00 C ATOM 0 H ALA A 98 -38.842 -11.827 -19.331 1.00 0.00 H new ATOM 0 HA ALA A 98 -37.259 -10.713 -21.279 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -38.854 -9.678 -22.825 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -38.847 -11.451 -22.979 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -40.172 -10.639 -22.112 1.00 0.00 H new ATOM 1581 N LYS A 99 -38.541 -8.342 -20.604 1.00 0.00 N ATOM 1582 CA LYS A 99 -39.028 -7.198 -19.859 1.00 0.00 C ATOM 1583 C LYS A 99 -40.489 -6.984 -20.220 1.00 0.00 C ATOM 1584 O LYS A 99 -40.808 -6.392 -21.254 1.00 0.00 O ATOM 1585 CB LYS A 99 -38.191 -5.947 -20.141 1.00 0.00 C ATOM 1586 CG LYS A 99 -38.556 -4.768 -19.255 1.00 0.00 C ATOM 1587 CD LYS A 99 -37.489 -3.690 -19.295 1.00 0.00 C ATOM 1588 CE LYS A 99 -37.816 -2.553 -18.342 1.00 0.00 C ATOM 1589 NZ LYS A 99 -36.660 -1.640 -18.148 1.00 0.00 N ATOM 0 H LYS A 99 -38.110 -8.121 -21.502 1.00 0.00 H new ATOM 0 HA LYS A 99 -38.938 -7.390 -18.790 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -37.136 -6.185 -20.002 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -38.318 -5.661 -21.185 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -39.509 -4.350 -19.579 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -38.690 -5.111 -18.229 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -36.523 -4.121 -19.032 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -37.399 -3.302 -20.310 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -38.664 -1.988 -18.729 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -38.120 -2.963 -17.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -36.925 -0.879 -17.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -35.859 -2.173 -17.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -36.386 -1.228 -19.063 1.00 0.00 H new ATOM 1603 N ALA A 100 -41.362 -7.523 -19.376 1.00 0.00 N ATOM 1604 CA ALA A 100 -42.797 -7.555 -19.635 1.00 0.00 C ATOM 1605 C ALA A 100 -43.374 -6.161 -19.843 1.00 0.00 C ATOM 1606 O ALA A 100 -42.857 -5.171 -19.321 1.00 0.00 O ATOM 1607 CB ALA A 100 -43.515 -8.262 -18.493 1.00 0.00 C ATOM 0 H ALA A 100 -41.094 -7.951 -18.490 1.00 0.00 H new ATOM 0 HA ALA A 100 -42.953 -8.109 -20.561 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -44.586 -8.282 -18.694 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -43.143 -9.283 -18.406 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -43.330 -7.728 -17.561 1.00 0.00 H new ATOM 1613 N GLU A 101 -44.448 -6.096 -20.609 1.00 0.00 N ATOM 1614 CA GLU A 101 -45.111 -4.836 -20.884 1.00 0.00 C ATOM 1615 C GLU A 101 -46.079 -4.466 -19.771 1.00 0.00 C ATOM 1616 O GLU A 101 -46.659 -5.332 -19.109 1.00 0.00 O ATOM 1617 CB GLU A 101 -45.833 -4.872 -22.242 1.00 0.00 C ATOM 1618 CG GLU A 101 -46.242 -6.265 -22.722 1.00 0.00 C ATOM 1619 CD GLU A 101 -47.179 -6.989 -21.774 1.00 0.00 C ATOM 1620 OE1 GLU A 101 -48.346 -6.573 -21.646 1.00 0.00 O ATOM 1621 OE2 GLU A 101 -46.752 -7.995 -21.168 1.00 0.00 O ATOM 0 H GLU A 101 -44.881 -6.906 -21.053 1.00 0.00 H new ATOM 0 HA GLU A 101 -44.341 -4.066 -20.930 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -46.726 -4.250 -22.178 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -45.184 -4.422 -22.993 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -46.723 -6.177 -23.696 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -45.345 -6.868 -22.863 1.00 0.00 H new ATOM 1628 N PHE A 102 -46.231 -3.173 -19.562 1.00 0.00 N ATOM 1629 CA PHE A 102 -47.138 -2.652 -18.559 1.00 0.00 C ATOM 1630 C PHE A 102 -47.912 -1.480 -19.155 1.00 0.00 C ATOM 1631 O PHE A 102 -47.817 -0.343 -18.693 1.00 0.00 O ATOM 1632 CB PHE A 102 -46.355 -2.225 -17.309 1.00 0.00 C ATOM 1633 CG PHE A 102 -47.223 -1.915 -16.116 1.00 0.00 C ATOM 1634 CD1 PHE A 102 -47.894 -2.930 -15.448 1.00 0.00 C ATOM 1635 CD2 PHE A 102 -47.361 -0.613 -15.658 1.00 0.00 C ATOM 1636 CE1 PHE A 102 -48.686 -2.650 -14.348 1.00 0.00 C ATOM 1637 CE2 PHE A 102 -48.152 -0.328 -14.561 1.00 0.00 C ATOM 1638 CZ PHE A 102 -48.816 -1.347 -13.906 1.00 0.00 C ATOM 0 H PHE A 102 -45.729 -2.454 -20.083 1.00 0.00 H new ATOM 0 HA PHE A 102 -47.845 -3.425 -18.257 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -45.658 -3.019 -17.041 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -45.759 -1.345 -17.550 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -47.797 -3.950 -15.790 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -46.844 0.188 -16.165 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -49.202 -3.449 -13.836 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -48.251 0.691 -14.216 1.00 0.00 H new ATOM 0 HZ PHE A 102 -49.436 -1.126 -13.050 1.00 0.00 H new ATOM 1648 N ASP A 103 -48.650 -1.764 -20.216 1.00 0.00 N ATOM 1649 CA ASP A 103 -49.403 -0.736 -20.921 1.00 0.00 C ATOM 1650 C ASP A 103 -50.859 -0.761 -20.484 1.00 0.00 C ATOM 1651 O ASP A 103 -51.671 0.048 -20.930 1.00 0.00 O ATOM 1652 CB ASP A 103 -49.312 -0.944 -22.440 1.00 0.00 C ATOM 1653 CG ASP A 103 -50.194 -2.079 -22.940 1.00 0.00 C ATOM 1654 OD1 ASP A 103 -50.065 -3.212 -22.438 1.00 0.00 O ATOM 1655 OD2 ASP A 103 -51.030 -1.839 -23.833 1.00 0.00 O ATOM 0 H ASP A 103 -48.745 -2.700 -20.610 1.00 0.00 H new ATOM 0 HA ASP A 103 -48.972 0.234 -20.675 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -49.597 -0.021 -22.945 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -48.277 -1.150 -22.711 1.00 0.00 H new ATOM 1660 N ARG A 104 -51.185 -1.697 -19.608 1.00 0.00 N ATOM 1661 CA ARG A 104 -52.553 -1.863 -19.149 1.00 0.00 C ATOM 1662 C ARG A 104 -52.803 -1.032 -17.902 1.00 0.00 C ATOM 1663 O ARG A 104 -52.439 -1.425 -16.794 1.00 0.00 O ATOM 1664 CB ARG A 104 -52.843 -3.339 -18.876 1.00 0.00 C ATOM 1665 CG ARG A 104 -52.507 -4.229 -20.058 1.00 0.00 C ATOM 1666 CD ARG A 104 -53.317 -3.853 -21.288 1.00 0.00 C ATOM 1667 NE ARG A 104 -52.638 -4.226 -22.528 1.00 0.00 N ATOM 1668 CZ ARG A 104 -53.161 -5.021 -23.458 1.00 0.00 C ATOM 1669 NH1 ARG A 104 -54.327 -5.615 -23.248 1.00 0.00 N ATOM 1670 NH2 ARG A 104 -52.505 -5.238 -24.590 1.00 0.00 N ATOM 0 H ARG A 104 -50.520 -2.354 -19.200 1.00 0.00 H new ATOM 0 HA ARG A 104 -53.226 -1.514 -19.932 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -52.270 -3.663 -18.007 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -53.897 -3.458 -18.625 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -51.444 -4.150 -20.283 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -52.701 -5.270 -19.798 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -54.289 -4.344 -21.246 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -53.502 -2.779 -21.285 1.00 0.00 H new ATOM 0 HE ARG A 104 -51.703 -3.853 -22.691 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -54.826 -5.463 -22.371 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -54.725 -6.224 -23.963 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -51.600 -4.795 -24.748 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -52.906 -5.847 -25.303 1.00 0.00 H new ATOM 1684 N LEU A 105 -53.396 0.133 -18.102 1.00 0.00 N ATOM 1685 CA LEU A 105 -53.737 1.012 -17.000 1.00 0.00 C ATOM 1686 C LEU A 105 -55.144 1.548 -17.216 1.00 0.00 C ATOM 1687 O LEU A 105 -55.386 2.351 -18.122 1.00 0.00 O ATOM 1688 CB LEU A 105 -52.718 2.156 -16.887 1.00 0.00 C ATOM 1689 CG LEU A 105 -52.635 2.842 -15.517 1.00 0.00 C ATOM 1690 CD1 LEU A 105 -51.354 3.647 -15.416 1.00 0.00 C ATOM 1691 CD2 LEU A 105 -53.838 3.744 -15.280 1.00 0.00 C ATOM 0 H LEU A 105 -53.651 0.492 -19.022 1.00 0.00 H new ATOM 0 HA LEU A 105 -53.707 0.456 -16.063 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -51.732 1.765 -17.137 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -52.961 2.910 -17.636 1.00 0.00 H new ATOM 0 HG LEU A 105 -52.635 2.068 -14.750 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -51.304 4.130 -14.440 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -50.497 2.984 -15.537 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -51.339 4.406 -16.198 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -53.751 4.216 -14.301 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -53.874 4.513 -16.052 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -54.751 3.150 -15.317 1.00 0.00 H new ATOM 1703 N TRP A 106 -56.063 1.082 -16.389 1.00 0.00 N ATOM 1704 CA TRP A 106 -57.466 1.438 -16.503 1.00 0.00 C ATOM 1705 C TRP A 106 -58.088 1.432 -15.109 1.00 0.00 C ATOM 1706 O TRP A 106 -57.466 0.946 -14.165 1.00 0.00 O ATOM 1707 CB TRP A 106 -58.177 0.442 -17.432 1.00 0.00 C ATOM 1708 CG TRP A 106 -59.622 0.749 -17.683 1.00 0.00 C ATOM 1709 CD1 TRP A 106 -60.152 1.939 -18.097 1.00 0.00 C ATOM 1710 CD2 TRP A 106 -60.725 -0.156 -17.550 1.00 0.00 C ATOM 1711 NE1 TRP A 106 -61.515 1.831 -18.217 1.00 0.00 N ATOM 1712 CE2 TRP A 106 -61.890 0.555 -17.891 1.00 0.00 C ATOM 1713 CE3 TRP A 106 -60.840 -1.499 -17.173 1.00 0.00 C ATOM 1714 CZ2 TRP A 106 -63.152 -0.030 -17.868 1.00 0.00 C ATOM 1715 CZ3 TRP A 106 -62.093 -2.079 -17.152 1.00 0.00 C ATOM 1716 CH2 TRP A 106 -63.234 -1.346 -17.498 1.00 0.00 C ATOM 0 H TRP A 106 -55.857 0.446 -15.619 1.00 0.00 H new ATOM 0 HA TRP A 106 -57.573 2.434 -16.933 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -57.653 0.418 -18.387 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -58.100 -0.556 -17.001 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -59.582 2.833 -18.300 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -62.146 2.580 -18.503 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -59.965 -2.071 -16.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -64.035 0.533 -18.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -62.194 -3.115 -16.864 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -64.200 -1.829 -17.473 1.00 0.00 H new ATOM 1727 N LYS A 107 -59.291 1.982 -14.980 1.00 0.00 N ATOM 1728 CA LYS A 107 -59.978 2.036 -13.694 1.00 0.00 C ATOM 1729 C LYS A 107 -60.239 0.634 -13.157 1.00 0.00 C ATOM 1730 O LYS A 107 -61.128 -0.077 -13.635 1.00 0.00 O ATOM 1731 CB LYS A 107 -61.292 2.805 -13.821 1.00 0.00 C ATOM 1732 CG LYS A 107 -61.102 4.248 -14.248 1.00 0.00 C ATOM 1733 CD LYS A 107 -62.420 4.996 -14.302 1.00 0.00 C ATOM 1734 CE LYS A 107 -62.204 6.457 -14.650 1.00 0.00 C ATOM 1735 NZ LYS A 107 -61.641 6.630 -16.014 1.00 0.00 N ATOM 0 H LYS A 107 -59.812 2.398 -15.752 1.00 0.00 H new ATOM 0 HA LYS A 107 -59.332 2.559 -12.989 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -61.932 2.300 -14.545 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -61.813 2.782 -12.864 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -60.428 4.748 -13.552 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -60.626 4.278 -15.228 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -63.073 4.535 -15.043 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -62.925 4.919 -13.339 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -63.152 6.990 -14.580 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -61.531 6.907 -13.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -61.667 7.636 -16.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -60.657 6.294 -16.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -62.204 6.081 -16.694 1.00 0.00 H new ATOM 1749 N LYS A 108 -59.450 0.248 -12.170 1.00 0.00 N ATOM 1750 CA LYS A 108 -59.528 -1.074 -11.579 1.00 0.00 C ATOM 1751 C LYS A 108 -59.090 -1.008 -10.117 1.00 0.00 C ATOM 1752 O LYS A 108 -57.869 -0.958 -9.857 1.00 0.00 O ATOM 1753 CB LYS A 108 -58.654 -2.058 -12.373 1.00 0.00 C ATOM 1754 CG LYS A 108 -58.553 -3.445 -11.756 1.00 0.00 C ATOM 1755 CD LYS A 108 -59.905 -4.133 -11.657 1.00 0.00 C ATOM 1756 CE LYS A 108 -59.792 -5.472 -10.943 1.00 0.00 C ATOM 1757 NZ LYS A 108 -59.340 -5.312 -9.534 1.00 0.00 N ATOM 1758 OXT LYS A 108 -59.969 -0.988 -9.233 1.00 0.00 O ATOM 0 H LYS A 108 -58.735 0.846 -11.755 1.00 0.00 H new ATOM 0 HA LYS A 108 -60.557 -1.430 -11.616 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -59.056 -2.150 -13.382 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -57.651 -1.641 -12.467 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -57.879 -4.058 -12.354 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -58.114 -3.367 -10.761 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -60.604 -3.491 -11.122 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -60.313 -4.284 -12.657 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -60.759 -5.975 -10.959 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -59.091 -6.111 -11.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -59.531 -6.188 -9.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -58.319 -5.114 -9.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -59.853 -4.523 -9.092 1.00 0.00 H new TER 1772 LYS A 108