USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 729 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 18 ASN : amide:sc= -1.85! K(o=-8.2!,f=-6.4) USER MOD Set 1.2: A 87 GLN : amide:sc= -4.67! C(o=-8.2!,f=-7.7!) USER MOD Set 1.3: A 89 GLN : amide:sc= -1.69 K(o=-8.2,f=-24!) USER MOD Set 2.1: A 80 MET CE :methyl -117:sc= -3.47! (180deg=-1.82!) USER MOD Set 2.2: A 84 GLN : amide:sc= -3.45! K(o=-6.9!,f=-3.6) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0214 USER MOD Single : A 3 SER OG : rot -160:sc= 1.18 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -0.287 X(o=-0.29,f=-0.44) USER MOD Single : A 10 SER OG : rot 32:sc= 0.67 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -0.508 X(o=-0.51,f=-0.12) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -1.27 USER MOD Single : A 22 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0884) USER MOD Single : A 23 ASN : amide:sc= -1.37! C(o=-1.4!,f=-2.4!) USER MOD Single : A 26 GLN : amide:sc= -0.412 K(o=-0.41,f=-3!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0778 X(o=-0.078,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 169:sc= -0.677 (180deg=-1.16) USER MOD Single : A 46 LYS NZ :NH3+ -160:sc= -1.05 (180deg=-2.13) USER MOD Single : A 48 SER OG : rot 165:sc= 0.662! USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 53 THR OG1 : rot 48:sc= 0.0804 USER MOD Single : A 55 GLN : amide:sc= -0.54 X(o=-0.54,f=-0.52) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot -28:sc= 1.24 USER MOD Single : A 63 ASN : amide:sc= -0.126 K(o=-0.13,f=-0.85) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0.659 K(o=0.66,f=-1.3) USER MOD Single : A 74 TYR OH : rot -115:sc= -1.54 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.152 X(o=-0.15,f=-0.28) USER MOD Single : A 90 MET CE :methyl -109:sc= -0.319 (180deg=-1.41) USER MOD Single : A 91 GLN : amide:sc= -0.0937 X(o=-0.094,f=-0.094) USER MOD Single : A 93 HIS : no HD1:sc= 0.107 K(o=0.11,f=-0.99) USER MOD Single : A 96 SER OG : rot -144:sc= 0.156 USER MOD Single : A 99 SER OG : rot 46:sc= 0.34 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.234 -24.908 14.029 1.00 0.00 N ATOM 2 CA GLY A 1 -2.602 -26.017 14.893 1.00 0.00 C ATOM 3 C GLY A 1 -2.394 -27.357 14.184 1.00 0.00 C ATOM 4 O GLY A 1 -1.533 -28.143 14.575 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.384 -24.011 14.533 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.232 -24.993 13.763 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.822 -24.926 13.171 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.004 -25.987 15.804 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.645 -25.918 15.193 1.00 0.00 H new ATOM 8 N SER A 2 -3.198 -27.575 13.154 1.00 0.00 N ATOM 9 CA SER A 2 -3.113 -28.806 12.387 1.00 0.00 C ATOM 10 C SER A 2 -3.905 -28.667 11.085 1.00 0.00 C ATOM 11 O SER A 2 -3.350 -28.818 9.998 1.00 0.00 O ATOM 12 CB SER A 2 -3.629 -29.997 13.197 1.00 0.00 C ATOM 13 OG SER A 2 -4.920 -29.750 13.746 1.00 0.00 O ATOM 0 H SER A 2 -3.911 -26.920 12.833 1.00 0.00 H new ATOM 0 HA SER A 2 -2.065 -28.989 12.150 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.669 -30.879 12.558 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.929 -30.218 14.003 1.00 0.00 H new ATOM 0 HG SER A 2 -5.215 -30.534 14.254 1.00 0.00 H new ATOM 19 N SER A 3 -5.190 -28.382 11.239 1.00 0.00 N ATOM 20 CA SER A 3 -6.064 -28.221 10.090 1.00 0.00 C ATOM 21 C SER A 3 -5.956 -29.443 9.176 1.00 0.00 C ATOM 22 O SER A 3 -5.032 -29.541 8.369 1.00 0.00 O ATOM 23 CB SER A 3 -5.725 -26.947 9.314 1.00 0.00 C ATOM 24 OG SER A 3 -6.870 -26.391 8.673 1.00 0.00 O ATOM 0 H SER A 3 -5.647 -28.258 12.143 1.00 0.00 H new ATOM 0 HA SER A 3 -7.089 -28.133 10.450 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.298 -26.211 9.995 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.964 -27.170 8.567 1.00 0.00 H new ATOM 0 HG SER A 3 -6.583 -25.795 7.950 1.00 0.00 H new ATOM 30 N GLY A 4 -6.914 -30.346 9.332 1.00 0.00 N ATOM 31 CA GLY A 4 -6.939 -31.557 8.531 1.00 0.00 C ATOM 32 C GLY A 4 -8.361 -31.881 8.070 1.00 0.00 C ATOM 33 O GLY A 4 -9.011 -32.767 8.624 1.00 0.00 O ATOM 0 H GLY A 4 -7.679 -30.262 10.002 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.290 -31.437 7.663 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.543 -32.390 9.112 1.00 0.00 H new ATOM 37 N SER A 5 -8.804 -31.146 7.061 1.00 0.00 N ATOM 38 CA SER A 5 -10.138 -31.344 6.519 1.00 0.00 C ATOM 39 C SER A 5 -10.361 -30.414 5.325 1.00 0.00 C ATOM 40 O SER A 5 -10.453 -29.199 5.488 1.00 0.00 O ATOM 41 CB SER A 5 -11.207 -31.103 7.586 1.00 0.00 C ATOM 42 OG SER A 5 -11.959 -32.280 7.865 1.00 0.00 O ATOM 0 H SER A 5 -8.263 -30.412 6.604 1.00 0.00 H new ATOM 0 HA SER A 5 -10.222 -32.379 6.186 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.732 -30.751 8.502 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.880 -30.313 7.252 1.00 0.00 H new ATOM 0 HG SER A 5 -12.630 -32.084 8.552 1.00 0.00 H new ATOM 48 N SER A 6 -10.441 -31.022 4.150 1.00 0.00 N ATOM 49 CA SER A 6 -10.652 -30.263 2.928 1.00 0.00 C ATOM 50 C SER A 6 -9.575 -29.185 2.790 1.00 0.00 C ATOM 51 O SER A 6 -9.784 -28.039 3.185 1.00 0.00 O ATOM 52 CB SER A 6 -12.044 -29.629 2.907 1.00 0.00 C ATOM 53 OG SER A 6 -12.976 -30.412 2.167 1.00 0.00 O ATOM 0 H SER A 6 -10.364 -32.030 4.018 1.00 0.00 H new ATOM 0 HA SER A 6 -10.582 -30.948 2.083 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.403 -29.508 3.929 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.982 -28.632 2.471 1.00 0.00 H new ATOM 0 HG SER A 6 -13.853 -29.975 2.179 1.00 0.00 H new ATOM 59 N GLY A 7 -8.446 -29.590 2.226 1.00 0.00 N ATOM 60 CA GLY A 7 -7.336 -28.673 2.031 1.00 0.00 C ATOM 61 C GLY A 7 -6.752 -28.225 3.372 1.00 0.00 C ATOM 62 O GLY A 7 -7.256 -28.601 4.429 1.00 0.00 O ATOM 0 H GLY A 7 -8.276 -30.541 1.898 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.561 -29.156 1.436 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.673 -27.803 1.468 1.00 0.00 H new ATOM 66 N PRO A 8 -5.671 -27.405 3.282 1.00 0.00 N ATOM 67 CA PRO A 8 -5.013 -26.901 4.476 1.00 0.00 C ATOM 68 C PRO A 8 -5.840 -25.794 5.132 1.00 0.00 C ATOM 69 O PRO A 8 -6.022 -25.788 6.349 1.00 0.00 O ATOM 70 CB PRO A 8 -3.650 -26.423 4.002 1.00 0.00 C ATOM 71 CG PRO A 8 -3.771 -26.246 2.497 1.00 0.00 C ATOM 72 CD PRO A 8 -5.047 -26.939 2.047 1.00 0.00 C ATOM 0 HA PRO A 8 -4.907 -27.661 5.250 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.375 -25.485 4.485 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.874 -27.148 4.249 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.800 -25.188 2.238 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.905 -26.674 1.991 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.701 -26.254 1.507 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.831 -27.769 1.375 1.00 0.00 H new ATOM 80 N HIS A 9 -6.321 -24.884 4.297 1.00 0.00 N ATOM 81 CA HIS A 9 -7.125 -23.775 4.781 1.00 0.00 C ATOM 82 C HIS A 9 -6.347 -23.007 5.852 1.00 0.00 C ATOM 83 O HIS A 9 -6.267 -23.443 6.999 1.00 0.00 O ATOM 84 CB HIS A 9 -8.487 -24.266 5.275 1.00 0.00 C ATOM 85 CG HIS A 9 -9.652 -23.785 4.443 1.00 0.00 C ATOM 86 ND1 HIS A 9 -9.730 -22.501 3.935 1.00 0.00 N ATOM 87 CD2 HIS A 9 -10.783 -24.430 4.036 1.00 0.00 C ATOM 88 CE1 HIS A 9 -10.862 -22.388 3.255 1.00 0.00 C ATOM 89 NE2 HIS A 9 -11.513 -23.585 3.319 1.00 0.00 N ATOM 0 H HIS A 9 -6.169 -24.892 3.288 1.00 0.00 H new ATOM 0 HA HIS A 9 -7.328 -23.084 3.963 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -8.487 -25.356 5.286 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -8.629 -23.937 6.305 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -11.041 -25.455 4.259 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -11.208 -21.504 2.741 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -12.413 -23.796 2.887 1.00 0.00 H new ATOM 97 N SER A 10 -5.795 -21.875 5.439 1.00 0.00 N ATOM 98 CA SER A 10 -5.027 -21.042 6.348 1.00 0.00 C ATOM 99 C SER A 10 -4.944 -19.614 5.805 1.00 0.00 C ATOM 100 O SER A 10 -4.800 -19.412 4.600 1.00 0.00 O ATOM 101 CB SER A 10 -3.624 -21.610 6.564 1.00 0.00 C ATOM 102 OG SER A 10 -3.600 -22.600 7.589 1.00 0.00 O ATOM 0 H SER A 10 -5.865 -21.516 4.487 1.00 0.00 H new ATOM 0 HA SER A 10 -5.536 -21.029 7.312 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.261 -22.044 5.632 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.942 -20.801 6.825 1.00 0.00 H new ATOM 0 HG SER A 10 -4.452 -23.083 7.597 1.00 0.00 H new ATOM 108 N MET A 11 -5.038 -18.660 6.720 1.00 0.00 N ATOM 109 CA MET A 11 -4.975 -17.257 6.347 1.00 0.00 C ATOM 110 C MET A 11 -4.563 -16.391 7.540 1.00 0.00 C ATOM 111 O MET A 11 -4.414 -16.893 8.653 1.00 0.00 O ATOM 112 CB MET A 11 -6.343 -16.803 5.835 1.00 0.00 C ATOM 113 CG MET A 11 -7.408 -16.934 6.926 1.00 0.00 C ATOM 114 SD MET A 11 -8.324 -15.409 7.072 1.00 0.00 S ATOM 115 CE MET A 11 -9.970 -16.057 7.307 1.00 0.00 C ATOM 0 H MET A 11 -5.157 -18.831 7.718 1.00 0.00 H new ATOM 0 HA MET A 11 -4.227 -17.142 5.562 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.285 -15.767 5.501 1.00 0.00 H new ATOM 0 HB3 MET A 11 -6.628 -17.401 4.970 1.00 0.00 H new ATOM 0 HG2 MET A 11 -8.086 -17.753 6.687 1.00 0.00 H new ATOM 0 HG3 MET A 11 -6.937 -17.177 7.878 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.674 -15.232 7.416 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.250 -16.661 6.444 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.993 -16.675 8.205 1.00 0.00 H new ATOM 125 N GLU A 12 -4.389 -15.107 7.266 1.00 0.00 N ATOM 126 CA GLU A 12 -3.997 -14.167 8.302 1.00 0.00 C ATOM 127 C GLU A 12 -4.157 -12.729 7.803 1.00 0.00 C ATOM 128 O GLU A 12 -4.129 -12.480 6.599 1.00 0.00 O ATOM 129 CB GLU A 12 -2.563 -14.429 8.766 1.00 0.00 C ATOM 130 CG GLU A 12 -1.560 -14.107 7.656 1.00 0.00 C ATOM 131 CD GLU A 12 -0.229 -14.823 7.895 1.00 0.00 C ATOM 132 OE1 GLU A 12 -0.224 -16.067 7.773 1.00 0.00 O ATOM 133 OE2 GLU A 12 0.753 -14.111 8.195 1.00 0.00 O ATOM 0 H GLU A 12 -4.512 -14.695 6.341 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.654 -14.308 9.160 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.345 -13.823 9.645 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.458 -15.472 9.064 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.970 -14.407 6.692 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.395 -13.030 7.611 1.00 0.00 H new ATOM 140 N PRO A 13 -4.327 -11.798 8.779 1.00 0.00 N ATOM 141 CA PRO A 13 -4.492 -10.392 8.452 1.00 0.00 C ATOM 142 C PRO A 13 -3.159 -9.765 8.037 1.00 0.00 C ATOM 143 O PRO A 13 -3.065 -9.138 6.984 1.00 0.00 O ATOM 144 CB PRO A 13 -5.081 -9.763 9.704 1.00 0.00 C ATOM 145 CG PRO A 13 -4.792 -10.736 10.835 1.00 0.00 C ATOM 146 CD PRO A 13 -4.366 -12.057 10.215 1.00 0.00 C ATOM 0 HA PRO A 13 -5.149 -10.233 7.597 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.631 -8.790 9.901 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -6.153 -9.601 9.592 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -4.006 -10.347 11.482 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.677 -10.873 11.456 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.391 -12.373 10.587 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.072 -12.853 10.455 1.00 0.00 H new ATOM 154 N GLN A 14 -2.162 -9.957 8.888 1.00 0.00 N ATOM 155 CA GLN A 14 -0.839 -9.419 8.624 1.00 0.00 C ATOM 156 C GLN A 14 -0.521 -9.501 7.130 1.00 0.00 C ATOM 157 O GLN A 14 -0.169 -10.566 6.624 1.00 0.00 O ATOM 158 CB GLN A 14 0.224 -10.144 9.452 1.00 0.00 C ATOM 159 CG GLN A 14 0.068 -9.831 10.941 1.00 0.00 C ATOM 160 CD GLN A 14 0.965 -10.735 11.789 1.00 0.00 C ATOM 161 OE1 GLN A 14 1.768 -10.284 12.588 1.00 0.00 O ATOM 162 NE2 GLN A 14 0.782 -12.035 11.571 1.00 0.00 N ATOM 0 H GLN A 14 -2.244 -10.478 9.761 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.829 -8.370 8.920 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.143 -11.219 9.293 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.217 -9.846 9.116 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.320 -8.787 11.125 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.972 -9.964 11.237 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.092 -12.345 10.887 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.332 -12.721 12.088 1.00 0.00 H new ATOM 171 N VAL A 15 -0.655 -8.363 6.465 1.00 0.00 N ATOM 172 CA VAL A 15 -0.387 -8.293 5.039 1.00 0.00 C ATOM 173 C VAL A 15 1.011 -7.711 4.815 1.00 0.00 C ATOM 174 O VAL A 15 1.452 -6.841 5.564 1.00 0.00 O ATOM 175 CB VAL A 15 -1.486 -7.493 4.338 1.00 0.00 C ATOM 176 CG1 VAL A 15 -0.999 -6.954 2.991 1.00 0.00 C ATOM 177 CG2 VAL A 15 -2.752 -8.335 4.166 1.00 0.00 C ATOM 0 H VAL A 15 -0.946 -7.482 6.888 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.399 -9.290 4.599 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.734 -6.640 4.970 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.800 -6.389 2.514 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.140 -6.302 3.149 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.710 -7.786 2.349 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.518 -7.743 3.665 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.524 -9.216 3.566 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.117 -8.647 5.144 1.00 0.00 H new ATOM 187 N THR A 16 1.669 -8.216 3.782 1.00 0.00 N ATOM 188 CA THR A 16 3.007 -7.757 3.450 1.00 0.00 C ATOM 189 C THR A 16 2.952 -6.719 2.328 1.00 0.00 C ATOM 190 O THR A 16 2.690 -7.059 1.175 1.00 0.00 O ATOM 191 CB THR A 16 3.854 -8.983 3.103 1.00 0.00 C ATOM 192 OG1 THR A 16 3.731 -9.825 4.246 1.00 0.00 O ATOM 193 CG2 THR A 16 5.349 -8.662 3.036 1.00 0.00 C ATOM 0 H THR A 16 1.300 -8.939 3.164 1.00 0.00 H new ATOM 0 HA THR A 16 3.473 -7.250 4.295 1.00 0.00 H new ATOM 0 HB THR A 16 3.527 -9.391 2.147 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.249 -10.645 4.105 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.904 -9.566 2.787 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.525 -7.905 2.271 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.684 -8.286 4.003 1.00 0.00 H new ATOM 201 N LEU A 17 3.203 -5.474 2.705 1.00 0.00 N ATOM 202 CA LEU A 17 3.186 -4.384 1.745 1.00 0.00 C ATOM 203 C LEU A 17 4.596 -4.177 1.189 1.00 0.00 C ATOM 204 O LEU A 17 5.433 -3.543 1.830 1.00 0.00 O ATOM 205 CB LEU A 17 2.582 -3.126 2.373 1.00 0.00 C ATOM 206 CG LEU A 17 1.109 -3.219 2.776 1.00 0.00 C ATOM 207 CD1 LEU A 17 0.651 -1.938 3.477 1.00 0.00 C ATOM 208 CD2 LEU A 17 0.230 -3.559 1.571 1.00 0.00 C ATOM 0 H LEU A 17 3.419 -5.196 3.662 1.00 0.00 H new ATOM 0 HA LEU A 17 2.543 -4.631 0.900 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.165 -2.870 3.258 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.694 -2.302 1.668 1.00 0.00 H new ATOM 0 HG LEU A 17 1.002 -4.034 3.492 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.399 -2.030 3.753 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.250 -1.780 4.374 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.776 -1.090 2.804 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.812 -3.619 1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.336 -2.783 0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.539 -4.518 1.154 1.00 0.00 H new ATOM 220 N ASN A 18 4.816 -4.724 0.002 1.00 0.00 N ATOM 221 CA ASN A 18 6.111 -4.607 -0.647 1.00 0.00 C ATOM 222 C ASN A 18 6.168 -3.293 -1.430 1.00 0.00 C ATOM 223 O ASN A 18 5.566 -3.175 -2.496 1.00 0.00 O ATOM 224 CB ASN A 18 6.338 -5.755 -1.633 1.00 0.00 C ATOM 225 CG ASN A 18 6.034 -7.105 -0.982 1.00 0.00 C ATOM 226 OD1 ASN A 18 6.749 -7.581 -0.115 1.00 0.00 O ATOM 227 ND2 ASN A 18 4.936 -7.695 -1.446 1.00 0.00 N ATOM 0 H ASN A 18 4.120 -5.249 -0.527 1.00 0.00 H new ATOM 0 HA ASN A 18 6.879 -4.637 0.126 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.703 -5.618 -2.508 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.370 -5.740 -1.983 1.00 0.00 H new ATOM 0 HD21 ASN A 18 4.648 -8.600 -1.075 1.00 0.00 H new ATOM 0 HD22 ASN A 18 4.382 -7.242 -2.173 1.00 0.00 H new ATOM 234 N VAL A 19 6.897 -2.339 -0.870 1.00 0.00 N ATOM 235 CA VAL A 19 7.040 -1.039 -1.502 1.00 0.00 C ATOM 236 C VAL A 19 8.382 -0.977 -2.234 1.00 0.00 C ATOM 237 O VAL A 19 9.438 -1.061 -1.609 1.00 0.00 O ATOM 238 CB VAL A 19 6.876 0.070 -0.460 1.00 0.00 C ATOM 239 CG1 VAL A 19 7.108 1.447 -1.085 1.00 0.00 C ATOM 240 CG2 VAL A 19 5.502 -0.004 0.208 1.00 0.00 C ATOM 0 H VAL A 19 7.395 -2.441 0.014 1.00 0.00 H new ATOM 0 HA VAL A 19 6.257 -0.888 -2.245 1.00 0.00 H new ATOM 0 HB VAL A 19 7.632 -0.080 0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.986 2.217 -0.324 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.118 1.496 -1.492 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.386 1.610 -1.885 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.412 0.795 0.944 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.724 0.108 -0.547 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.390 -0.968 0.704 1.00 0.00 H new ATOM 250 N THR A 20 8.296 -0.831 -3.548 1.00 0.00 N ATOM 251 CA THR A 20 9.491 -0.758 -4.372 1.00 0.00 C ATOM 252 C THR A 20 9.676 0.660 -4.918 1.00 0.00 C ATOM 253 O THR A 20 9.070 1.025 -5.925 1.00 0.00 O ATOM 254 CB THR A 20 9.377 -1.820 -5.466 1.00 0.00 C ATOM 255 OG1 THR A 20 9.818 -3.019 -4.834 1.00 0.00 O ATOM 256 CG2 THR A 20 10.382 -1.605 -6.599 1.00 0.00 C ATOM 0 H THR A 20 7.418 -0.761 -4.062 1.00 0.00 H new ATOM 0 HA THR A 20 10.387 -0.968 -3.788 1.00 0.00 H new ATOM 0 HB THR A 20 8.366 -1.814 -5.872 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.775 -3.761 -5.473 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.258 -2.387 -7.349 1.00 0.00 H new ATOM 0 HG22 THR A 20 10.210 -0.631 -7.058 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.395 -1.644 -6.199 1.00 0.00 H new ATOM 264 N PHE A 21 10.514 1.420 -4.230 1.00 0.00 N ATOM 265 CA PHE A 21 10.786 2.789 -4.633 1.00 0.00 C ATOM 266 C PHE A 21 12.057 2.868 -5.482 1.00 0.00 C ATOM 267 O PHE A 21 13.074 2.267 -5.142 1.00 0.00 O ATOM 268 CB PHE A 21 10.992 3.600 -3.352 1.00 0.00 C ATOM 269 CG PHE A 21 11.357 5.066 -3.596 1.00 0.00 C ATOM 270 CD1 PHE A 21 10.659 5.798 -4.505 1.00 0.00 C ATOM 271 CD2 PHE A 21 12.379 5.637 -2.903 1.00 0.00 C ATOM 272 CE1 PHE A 21 10.998 7.159 -4.732 1.00 0.00 C ATOM 273 CE2 PHE A 21 12.717 6.997 -3.130 1.00 0.00 C ATOM 274 CZ PHE A 21 12.020 7.730 -4.039 1.00 0.00 C ATOM 0 H PHE A 21 11.014 1.114 -3.395 1.00 0.00 H new ATOM 0 HA PHE A 21 9.958 3.173 -5.229 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.080 3.557 -2.757 1.00 0.00 H new ATOM 0 HB3 PHE A 21 11.780 3.133 -2.761 1.00 0.00 H new ATOM 0 HD1 PHE A 21 9.847 5.345 -5.054 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.933 5.056 -2.181 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.444 7.740 -5.455 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.529 7.450 -2.580 1.00 0.00 H new ATOM 0 HZ PHE A 21 12.278 8.765 -4.211 1.00 0.00 H new ATOM 284 N LYS A 22 11.956 3.615 -6.572 1.00 0.00 N ATOM 285 CA LYS A 22 13.084 3.781 -7.473 1.00 0.00 C ATOM 286 C LYS A 22 13.657 2.407 -7.823 1.00 0.00 C ATOM 287 O LYS A 22 13.207 1.766 -8.772 1.00 0.00 O ATOM 288 CB LYS A 22 14.112 4.742 -6.872 1.00 0.00 C ATOM 289 CG LYS A 22 13.471 6.087 -6.529 1.00 0.00 C ATOM 290 CD LYS A 22 12.835 6.724 -7.766 1.00 0.00 C ATOM 291 CE LYS A 22 11.308 6.688 -7.679 1.00 0.00 C ATOM 292 NZ LYS A 22 10.729 6.173 -8.940 1.00 0.00 N ATOM 0 H LYS A 22 11.110 4.112 -6.851 1.00 0.00 H new ATOM 0 HA LYS A 22 12.762 4.240 -8.408 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.545 4.302 -5.974 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.929 4.894 -7.578 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.713 5.946 -5.758 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.225 6.758 -6.117 1.00 0.00 H new ATOM 0 HD2 LYS A 22 13.173 7.756 -7.862 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.164 6.196 -8.661 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.000 6.056 -6.846 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.926 7.689 -7.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.709 6.373 -8.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.189 6.638 -9.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.882 5.146 -8.998 1.00 0.00 H new ATOM 306 N ASN A 23 14.642 1.994 -7.039 1.00 0.00 N ATOM 307 CA ASN A 23 15.281 0.707 -7.254 1.00 0.00 C ATOM 308 C ASN A 23 15.392 -0.033 -5.920 1.00 0.00 C ATOM 309 O ASN A 23 16.036 -1.077 -5.836 1.00 0.00 O ATOM 310 CB ASN A 23 16.693 0.881 -7.816 1.00 0.00 C ATOM 311 CG ASN A 23 17.383 -0.473 -7.997 1.00 0.00 C ATOM 312 OD1 ASN A 23 18.099 -0.954 -7.134 1.00 0.00 O ATOM 313 ND2 ASN A 23 17.128 -1.058 -9.163 1.00 0.00 N ATOM 0 H ASN A 23 15.013 2.528 -6.254 1.00 0.00 H new ATOM 0 HA ASN A 23 14.675 0.145 -7.965 1.00 0.00 H new ATOM 0 HB2 ASN A 23 16.646 1.400 -8.774 1.00 0.00 H new ATOM 0 HB3 ASN A 23 17.281 1.506 -7.144 1.00 0.00 H new ATOM 0 HD21 ASN A 23 17.541 -1.965 -9.380 1.00 0.00 H new ATOM 0 HD22 ASN A 23 16.519 -0.600 -9.841 1.00 0.00 H new ATOM 320 N GLU A 24 14.752 0.538 -4.909 1.00 0.00 N ATOM 321 CA GLU A 24 14.771 -0.055 -3.582 1.00 0.00 C ATOM 322 C GLU A 24 13.524 -0.916 -3.368 1.00 0.00 C ATOM 323 O GLU A 24 12.563 -0.824 -4.130 1.00 0.00 O ATOM 324 CB GLU A 24 14.885 1.023 -2.502 1.00 0.00 C ATOM 325 CG GLU A 24 16.202 0.893 -1.735 1.00 0.00 C ATOM 326 CD GLU A 24 16.445 -0.555 -1.304 1.00 0.00 C ATOM 327 OE1 GLU A 24 15.547 -1.105 -0.630 1.00 0.00 O ATOM 328 OE2 GLU A 24 17.523 -1.079 -1.658 1.00 0.00 O ATOM 0 H GLU A 24 14.218 1.404 -4.982 1.00 0.00 H new ATOM 0 HA GLU A 24 15.649 -0.696 -3.504 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.823 2.010 -2.960 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.047 0.940 -1.810 1.00 0.00 H new ATOM 0 HG2 GLU A 24 17.027 1.233 -2.361 1.00 0.00 H new ATOM 0 HG3 GLU A 24 16.181 1.539 -0.857 1.00 0.00 H new ATOM 335 N ILE A 25 13.581 -1.734 -2.328 1.00 0.00 N ATOM 336 CA ILE A 25 12.469 -2.611 -2.004 1.00 0.00 C ATOM 337 C ILE A 25 12.241 -2.602 -0.491 1.00 0.00 C ATOM 338 O ILE A 25 13.164 -2.860 0.281 1.00 0.00 O ATOM 339 CB ILE A 25 12.702 -4.009 -2.582 1.00 0.00 C ATOM 340 CG1 ILE A 25 12.748 -3.969 -4.111 1.00 0.00 C ATOM 341 CG2 ILE A 25 11.655 -4.998 -2.066 1.00 0.00 C ATOM 342 CD1 ILE A 25 13.578 -5.129 -4.665 1.00 0.00 C ATOM 0 H ILE A 25 14.380 -1.808 -1.698 1.00 0.00 H new ATOM 0 HA ILE A 25 11.551 -2.248 -2.467 1.00 0.00 H new ATOM 0 HB ILE A 25 13.674 -4.362 -2.239 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.735 -4.019 -4.510 1.00 0.00 H new ATOM 0 HG13 ILE A 25 13.175 -3.022 -4.441 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.844 -5.983 -2.492 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.713 -5.056 -0.979 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.661 -4.661 -2.359 1.00 0.00 H new ATOM 0 HD11 ILE A 25 13.595 -5.077 -5.754 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.597 -5.062 -4.283 1.00 0.00 H new ATOM 0 HD13 ILE A 25 13.135 -6.075 -4.354 1.00 0.00 H new ATOM 354 N GLN A 26 11.007 -2.302 -0.112 1.00 0.00 N ATOM 355 CA GLN A 26 10.647 -2.256 1.295 1.00 0.00 C ATOM 356 C GLN A 26 9.443 -3.161 1.564 1.00 0.00 C ATOM 357 O GLN A 26 8.733 -3.548 0.637 1.00 0.00 O ATOM 358 CB GLN A 26 10.365 -0.820 1.742 1.00 0.00 C ATOM 359 CG GLN A 26 10.921 -0.563 3.144 1.00 0.00 C ATOM 360 CD GLN A 26 12.440 -0.377 3.105 1.00 0.00 C ATOM 361 OE1 GLN A 26 13.139 -0.938 2.279 1.00 0.00 O ATOM 362 NE2 GLN A 26 12.908 0.442 4.043 1.00 0.00 N ATOM 0 H GLN A 26 10.244 -2.088 -0.755 1.00 0.00 H new ATOM 0 HA GLN A 26 11.491 -2.624 1.879 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.813 -0.121 1.036 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.290 -0.637 1.734 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.453 0.325 3.568 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.670 -1.398 3.798 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.266 0.879 4.704 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.908 0.633 4.101 1.00 0.00 H new ATOM 371 N SER A 27 9.249 -3.471 2.838 1.00 0.00 N ATOM 372 CA SER A 27 8.143 -4.322 3.241 1.00 0.00 C ATOM 373 C SER A 27 7.559 -3.829 4.566 1.00 0.00 C ATOM 374 O SER A 27 8.298 -3.555 5.510 1.00 0.00 O ATOM 375 CB SER A 27 8.588 -5.781 3.367 1.00 0.00 C ATOM 376 OG SER A 27 7.708 -6.538 4.194 1.00 0.00 O ATOM 0 H SER A 27 9.840 -3.148 3.604 1.00 0.00 H new ATOM 0 HA SER A 27 7.374 -4.270 2.471 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.633 -6.233 2.376 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.596 -5.818 3.780 1.00 0.00 H new ATOM 0 HG SER A 27 8.025 -7.464 4.248 1.00 0.00 H new ATOM 382 N PHE A 28 6.238 -3.731 4.594 1.00 0.00 N ATOM 383 CA PHE A 28 5.546 -3.276 5.788 1.00 0.00 C ATOM 384 C PHE A 28 4.392 -4.215 6.144 1.00 0.00 C ATOM 385 O PHE A 28 3.417 -4.317 5.401 1.00 0.00 O ATOM 386 CB PHE A 28 4.981 -1.889 5.475 1.00 0.00 C ATOM 387 CG PHE A 28 6.036 -0.873 5.032 1.00 0.00 C ATOM 388 CD1 PHE A 28 6.734 -0.168 5.962 1.00 0.00 C ATOM 389 CD2 PHE A 28 6.275 -0.675 3.708 1.00 0.00 C ATOM 390 CE1 PHE A 28 7.712 0.775 5.551 1.00 0.00 C ATOM 391 CE2 PHE A 28 7.253 0.268 3.296 1.00 0.00 C ATOM 392 CZ PHE A 28 7.952 0.973 4.226 1.00 0.00 C ATOM 0 H PHE A 28 5.628 -3.959 3.809 1.00 0.00 H new ATOM 0 HA PHE A 28 6.235 -3.254 6.632 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.230 -1.982 4.691 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.472 -1.507 6.360 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.544 -0.326 7.013 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.721 -1.235 2.970 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.266 1.335 6.290 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.442 0.426 2.244 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.697 1.690 3.913 1.00 0.00 H new ATOM 402 N LEU A 29 4.540 -4.877 7.282 1.00 0.00 N ATOM 403 CA LEU A 29 3.523 -5.804 7.747 1.00 0.00 C ATOM 404 C LEU A 29 2.377 -5.018 8.388 1.00 0.00 C ATOM 405 O LEU A 29 2.612 -4.114 9.188 1.00 0.00 O ATOM 406 CB LEU A 29 4.138 -6.857 8.671 1.00 0.00 C ATOM 407 CG LEU A 29 3.313 -8.127 8.884 1.00 0.00 C ATOM 408 CD1 LEU A 29 3.443 -9.074 7.689 1.00 0.00 C ATOM 409 CD2 LEU A 29 3.689 -8.811 10.201 1.00 0.00 C ATOM 0 H LEU A 29 5.350 -4.790 7.896 1.00 0.00 H new ATOM 0 HA LEU A 29 3.101 -6.357 6.908 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.110 -7.142 8.268 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.319 -6.398 9.643 1.00 0.00 H new ATOM 0 HG LEU A 29 2.263 -7.843 8.956 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.846 -9.969 7.867 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.087 -8.574 6.788 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.488 -9.355 7.559 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.088 -9.711 10.328 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.745 -9.080 10.183 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.502 -8.130 11.031 1.00 0.00 H new ATOM 421 N VAL A 30 1.163 -5.392 8.013 1.00 0.00 N ATOM 422 CA VAL A 30 -0.020 -4.734 8.541 1.00 0.00 C ATOM 423 C VAL A 30 -0.912 -5.770 9.228 1.00 0.00 C ATOM 424 O VAL A 30 -1.749 -6.399 8.582 1.00 0.00 O ATOM 425 CB VAL A 30 -0.738 -3.973 7.425 1.00 0.00 C ATOM 426 CG1 VAL A 30 -1.673 -2.907 8.001 1.00 0.00 C ATOM 427 CG2 VAL A 30 0.266 -3.352 6.451 1.00 0.00 C ATOM 0 H VAL A 30 0.973 -6.143 7.349 1.00 0.00 H new ATOM 0 HA VAL A 30 0.258 -3.995 9.293 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.346 -4.688 6.870 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.171 -2.381 7.186 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.420 -3.383 8.636 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.095 -2.197 8.592 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.270 -2.817 5.667 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.912 -2.657 6.988 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.873 -4.139 6.003 1.00 0.00 H new ATOM 437 N SER A 31 -0.703 -5.916 10.528 1.00 0.00 N ATOM 438 CA SER A 31 -1.477 -6.865 11.309 1.00 0.00 C ATOM 439 C SER A 31 -2.940 -6.421 11.372 1.00 0.00 C ATOM 440 O SER A 31 -3.803 -7.176 11.816 1.00 0.00 O ATOM 441 CB SER A 31 -0.906 -7.014 12.720 1.00 0.00 C ATOM 442 OG SER A 31 -1.444 -6.047 13.618 1.00 0.00 O ATOM 0 H SER A 31 -0.008 -5.392 11.060 1.00 0.00 H new ATOM 0 HA SER A 31 -1.420 -7.837 10.819 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.120 -8.015 13.094 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.179 -6.912 12.685 1.00 0.00 H new ATOM 0 HG SER A 31 -1.056 -6.176 14.509 1.00 0.00 H new ATOM 448 N ASP A 32 -3.173 -5.197 10.921 1.00 0.00 N ATOM 449 CA ASP A 32 -4.516 -4.642 10.921 1.00 0.00 C ATOM 450 C ASP A 32 -4.741 -3.861 9.625 1.00 0.00 C ATOM 451 O ASP A 32 -4.795 -2.632 9.639 1.00 0.00 O ATOM 452 CB ASP A 32 -4.715 -3.680 12.094 1.00 0.00 C ATOM 453 CG ASP A 32 -3.606 -2.641 12.273 1.00 0.00 C ATOM 454 OD1 ASP A 32 -2.436 -3.070 12.362 1.00 0.00 O ATOM 455 OD2 ASP A 32 -3.955 -1.441 12.317 1.00 0.00 O ATOM 0 H ASP A 32 -2.454 -4.574 10.553 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.222 -5.468 11.009 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.663 -3.158 11.960 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -4.799 -4.262 13.012 1.00 0.00 H new ATOM 460 N PRO A 33 -4.868 -4.625 8.508 1.00 0.00 N ATOM 461 CA PRO A 33 -5.085 -4.018 7.206 1.00 0.00 C ATOM 462 C PRO A 33 -6.524 -3.516 7.069 1.00 0.00 C ATOM 463 O PRO A 33 -6.838 -2.765 6.147 1.00 0.00 O ATOM 464 CB PRO A 33 -4.737 -5.104 6.202 1.00 0.00 C ATOM 465 CG PRO A 33 -4.786 -6.414 6.971 1.00 0.00 C ATOM 466 CD PRO A 33 -4.809 -6.083 8.454 1.00 0.00 C ATOM 0 HA PRO A 33 -4.468 -3.134 7.046 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.445 -5.111 5.373 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.748 -4.939 5.775 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.671 -6.986 6.694 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.920 -7.030 6.731 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.671 -6.533 8.947 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.920 -6.462 8.958 1.00 0.00 H new ATOM 474 N GLU A 34 -7.360 -3.951 8.000 1.00 0.00 N ATOM 475 CA GLU A 34 -8.759 -3.555 7.994 1.00 0.00 C ATOM 476 C GLU A 34 -8.994 -2.425 8.998 1.00 0.00 C ATOM 477 O GLU A 34 -9.902 -1.613 8.823 1.00 0.00 O ATOM 478 CB GLU A 34 -9.668 -4.749 8.290 1.00 0.00 C ATOM 479 CG GLU A 34 -9.738 -5.695 7.090 1.00 0.00 C ATOM 480 CD GLU A 34 -11.173 -6.170 6.850 1.00 0.00 C ATOM 481 OE1 GLU A 34 -12.016 -5.299 6.546 1.00 0.00 O ATOM 482 OE2 GLU A 34 -11.394 -7.394 6.975 1.00 0.00 O ATOM 0 H GLU A 34 -7.096 -4.574 8.764 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.009 -3.189 6.998 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.295 -5.288 9.161 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.669 -4.396 8.538 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.365 -5.188 6.200 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.090 -6.555 7.262 1.00 0.00 H new ATOM 489 N ASN A 35 -8.161 -2.407 10.028 1.00 0.00 N ATOM 490 CA ASN A 35 -8.267 -1.390 11.060 1.00 0.00 C ATOM 491 C ASN A 35 -7.492 -0.145 10.624 1.00 0.00 C ATOM 492 O ASN A 35 -8.053 0.948 10.556 1.00 0.00 O ATOM 493 CB ASN A 35 -7.670 -1.880 12.380 1.00 0.00 C ATOM 494 CG ASN A 35 -8.523 -1.430 13.568 1.00 0.00 C ATOM 495 OD1 ASN A 35 -8.112 -0.631 14.393 1.00 0.00 O ATOM 496 ND2 ASN A 35 -9.730 -1.987 13.609 1.00 0.00 N ATOM 0 H ASN A 35 -7.409 -3.081 10.170 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.324 -1.165 11.204 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.599 -2.968 12.370 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.656 -1.496 12.490 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.375 -1.752 14.364 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.011 -2.649 12.886 1.00 0.00 H new ATOM 503 N THR A 36 -6.214 -0.351 10.339 1.00 0.00 N ATOM 504 CA THR A 36 -5.357 0.741 9.912 1.00 0.00 C ATOM 505 C THR A 36 -6.015 1.521 8.773 1.00 0.00 C ATOM 506 O THR A 36 -7.024 1.087 8.220 1.00 0.00 O ATOM 507 CB THR A 36 -3.994 0.154 9.538 1.00 0.00 C ATOM 508 OG1 THR A 36 -3.080 1.222 9.769 1.00 0.00 O ATOM 509 CG2 THR A 36 -3.869 -0.127 8.039 1.00 0.00 C ATOM 0 H THR A 36 -5.752 -1.259 10.396 1.00 0.00 H new ATOM 0 HA THR A 36 -5.207 1.463 10.715 1.00 0.00 H new ATOM 0 HB THR A 36 -3.831 -0.769 10.095 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.171 0.927 9.553 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.884 -0.542 7.828 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.636 -0.841 7.737 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.998 0.801 7.483 1.00 0.00 H new ATOM 517 N THR A 37 -5.417 2.661 8.456 1.00 0.00 N ATOM 518 CA THR A 37 -5.933 3.506 7.392 1.00 0.00 C ATOM 519 C THR A 37 -4.847 3.770 6.347 1.00 0.00 C ATOM 520 O THR A 37 -3.660 3.783 6.669 1.00 0.00 O ATOM 521 CB THR A 37 -6.486 4.782 8.029 1.00 0.00 C ATOM 522 OG1 THR A 37 -5.350 5.384 8.644 1.00 0.00 O ATOM 523 CG2 THR A 37 -7.431 4.491 9.197 1.00 0.00 C ATOM 0 H THR A 37 -4.581 3.019 8.917 1.00 0.00 H new ATOM 0 HA THR A 37 -6.745 3.015 6.855 1.00 0.00 H new ATOM 0 HB THR A 37 -7.011 5.366 7.273 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.619 6.219 9.080 1.00 0.00 H new ATOM 0 HG21 THR A 37 -7.795 5.430 9.613 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.275 3.899 8.843 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.897 3.936 9.968 1.00 0.00 H new ATOM 531 N TRP A 38 -5.293 3.974 5.116 1.00 0.00 N ATOM 532 CA TRP A 38 -4.375 4.237 4.022 1.00 0.00 C ATOM 533 C TRP A 38 -3.469 5.400 4.433 1.00 0.00 C ATOM 534 O TRP A 38 -2.270 5.385 4.159 1.00 0.00 O ATOM 535 CB TRP A 38 -5.134 4.503 2.720 1.00 0.00 C ATOM 536 CG TRP A 38 -4.256 5.032 1.584 1.00 0.00 C ATOM 537 CD1 TRP A 38 -4.412 6.159 0.878 1.00 0.00 C ATOM 538 CD2 TRP A 38 -3.072 4.404 1.049 1.00 0.00 C ATOM 539 NE1 TRP A 38 -3.419 6.304 -0.070 1.00 0.00 N ATOM 540 CE2 TRP A 38 -2.578 5.203 0.038 1.00 0.00 C ATOM 541 CE3 TRP A 38 -2.438 3.201 1.408 1.00 0.00 C ATOM 542 CZ2 TRP A 38 -1.430 4.886 -0.698 1.00 0.00 C ATOM 543 CZ3 TRP A 38 -1.292 2.899 0.663 1.00 0.00 C ATOM 544 CH2 TRP A 38 -0.782 3.692 -0.358 1.00 0.00 C ATOM 0 H TRP A 38 -6.278 3.962 4.853 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.753 3.364 3.824 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.613 3.579 2.395 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -5.929 5.222 2.916 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.214 6.866 1.031 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.321 7.077 -0.728 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -2.806 2.561 2.196 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.064 5.528 -1.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.767 1.985 0.898 1.00 0.00 H new ATOM 0 HH2 TRP A 38 0.110 3.389 -0.887 1.00 0.00 H new ATOM 555 N ALA A 39 -4.078 6.380 5.085 1.00 0.00 N ATOM 556 CA ALA A 39 -3.342 7.549 5.537 1.00 0.00 C ATOM 557 C ALA A 39 -2.190 7.102 6.439 1.00 0.00 C ATOM 558 O ALA A 39 -1.096 7.662 6.378 1.00 0.00 O ATOM 559 CB ALA A 39 -4.297 8.512 6.245 1.00 0.00 C ATOM 0 H ALA A 39 -5.073 6.389 5.311 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.911 8.083 4.690 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.745 9.389 6.584 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.080 8.822 5.553 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.747 8.013 7.103 1.00 0.00 H new ATOM 565 N ASP A 40 -2.474 6.099 7.256 1.00 0.00 N ATOM 566 CA ASP A 40 -1.475 5.571 8.170 1.00 0.00 C ATOM 567 C ASP A 40 -0.362 4.896 7.367 1.00 0.00 C ATOM 568 O ASP A 40 0.801 4.924 7.767 1.00 0.00 O ATOM 569 CB ASP A 40 -2.083 4.526 9.107 1.00 0.00 C ATOM 570 CG ASP A 40 -2.242 4.974 10.561 1.00 0.00 C ATOM 571 OD1 ASP A 40 -1.219 5.401 11.138 1.00 0.00 O ATOM 572 OD2 ASP A 40 -3.383 4.880 11.063 1.00 0.00 O ATOM 0 H ASP A 40 -3.382 5.637 7.304 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.086 6.401 8.760 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.062 4.241 8.722 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.459 3.633 9.084 1.00 0.00 H new ATOM 577 N ILE A 41 -0.757 4.305 6.249 1.00 0.00 N ATOM 578 CA ILE A 41 0.193 3.624 5.386 1.00 0.00 C ATOM 579 C ILE A 41 1.023 4.662 4.629 1.00 0.00 C ATOM 580 O ILE A 41 2.246 4.702 4.763 1.00 0.00 O ATOM 581 CB ILE A 41 -0.529 2.630 4.474 1.00 0.00 C ATOM 582 CG1 ILE A 41 -1.475 1.736 5.278 1.00 0.00 C ATOM 583 CG2 ILE A 41 0.472 1.814 3.653 1.00 0.00 C ATOM 584 CD1 ILE A 41 -0.701 0.640 6.014 1.00 0.00 C ATOM 0 H ILE A 41 -1.723 4.284 5.921 1.00 0.00 H new ATOM 0 HA ILE A 41 0.889 3.030 5.979 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.140 3.194 3.769 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.029 2.340 5.997 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.208 1.283 4.610 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.066 1.115 3.013 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.069 2.485 3.036 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.127 1.260 4.325 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.397 0.019 6.578 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.168 0.023 5.291 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.014 1.097 6.698 1.00 0.00 H new ATOM 596 N GLU A 42 0.326 5.477 3.851 1.00 0.00 N ATOM 597 CA GLU A 42 0.984 6.513 3.073 1.00 0.00 C ATOM 598 C GLU A 42 2.123 7.141 3.879 1.00 0.00 C ATOM 599 O GLU A 42 3.272 7.142 3.440 1.00 0.00 O ATOM 600 CB GLU A 42 -0.017 7.577 2.619 1.00 0.00 C ATOM 601 CG GLU A 42 0.471 8.285 1.353 1.00 0.00 C ATOM 602 CD GLU A 42 -0.644 8.369 0.308 1.00 0.00 C ATOM 603 OE1 GLU A 42 -1.641 9.065 0.597 1.00 0.00 O ATOM 604 OE2 GLU A 42 -0.473 7.736 -0.756 1.00 0.00 O ATOM 0 H GLU A 42 -0.688 5.441 3.743 1.00 0.00 H new ATOM 0 HA GLU A 42 1.408 6.054 2.180 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.985 7.113 2.430 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.163 8.307 3.415 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.816 9.288 1.603 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.324 7.748 0.938 1.00 0.00 H new ATOM 611 N ALA A 43 1.764 7.659 5.045 1.00 0.00 N ATOM 612 CA ALA A 43 2.742 8.288 5.916 1.00 0.00 C ATOM 613 C ALA A 43 3.860 7.291 6.225 1.00 0.00 C ATOM 614 O ALA A 43 5.032 7.571 5.976 1.00 0.00 O ATOM 615 CB ALA A 43 2.046 8.794 7.182 1.00 0.00 C ATOM 0 H ALA A 43 0.810 7.656 5.406 1.00 0.00 H new ATOM 0 HA ALA A 43 3.195 9.149 5.425 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.779 9.266 7.836 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.280 9.521 6.911 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.582 7.956 7.702 1.00 0.00 H new ATOM 621 N MET A 44 3.459 6.148 6.762 1.00 0.00 N ATOM 622 CA MET A 44 4.413 5.108 7.107 1.00 0.00 C ATOM 623 C MET A 44 5.482 4.962 6.021 1.00 0.00 C ATOM 624 O MET A 44 6.658 5.231 6.263 1.00 0.00 O ATOM 625 CB MET A 44 3.678 3.778 7.281 1.00 0.00 C ATOM 626 CG MET A 44 4.547 2.764 8.028 1.00 0.00 C ATOM 627 SD MET A 44 3.527 1.463 8.699 1.00 0.00 S ATOM 628 CE MET A 44 2.857 0.784 7.190 1.00 0.00 C ATOM 0 H MET A 44 2.486 5.919 6.967 1.00 0.00 H new ATOM 0 HA MET A 44 4.904 5.387 8.039 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.750 3.940 7.829 1.00 0.00 H new ATOM 0 HB3 MET A 44 3.405 3.379 6.304 1.00 0.00 H new ATOM 0 HG2 MET A 44 5.291 2.342 7.352 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.092 3.261 8.831 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.353 -0.158 7.407 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.143 1.487 6.760 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.665 0.608 6.480 1.00 0.00 H new ATOM 638 N VAL A 45 5.035 4.537 4.849 1.00 0.00 N ATOM 639 CA VAL A 45 5.938 4.352 3.726 1.00 0.00 C ATOM 640 C VAL A 45 6.676 5.664 3.450 1.00 0.00 C ATOM 641 O VAL A 45 7.879 5.661 3.191 1.00 0.00 O ATOM 642 CB VAL A 45 5.164 3.835 2.511 1.00 0.00 C ATOM 643 CG1 VAL A 45 6.084 3.686 1.298 1.00 0.00 C ATOM 644 CG2 VAL A 45 4.461 2.515 2.832 1.00 0.00 C ATOM 0 H VAL A 45 4.059 4.315 4.652 1.00 0.00 H new ATOM 0 HA VAL A 45 6.690 3.598 3.960 1.00 0.00 H new ATOM 0 HB VAL A 45 4.399 4.571 2.262 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.509 3.317 0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.518 4.654 1.049 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.881 2.980 1.531 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.918 2.169 1.953 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.202 1.769 3.118 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.761 2.666 3.654 1.00 0.00 H new ATOM 654 N LYS A 46 5.926 6.753 3.514 1.00 0.00 N ATOM 655 CA LYS A 46 6.494 8.069 3.275 1.00 0.00 C ATOM 656 C LYS A 46 7.735 8.251 4.151 1.00 0.00 C ATOM 657 O LYS A 46 8.857 8.265 3.648 1.00 0.00 O ATOM 658 CB LYS A 46 5.435 9.155 3.475 1.00 0.00 C ATOM 659 CG LYS A 46 4.909 9.664 2.131 1.00 0.00 C ATOM 660 CD LYS A 46 3.397 9.887 2.183 1.00 0.00 C ATOM 661 CE LYS A 46 3.065 11.380 2.241 1.00 0.00 C ATOM 662 NZ LYS A 46 2.504 11.836 0.950 1.00 0.00 N ATOM 0 H LYS A 46 4.929 6.752 3.728 1.00 0.00 H new ATOM 0 HA LYS A 46 6.819 8.161 2.239 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.609 8.758 4.066 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.862 9.984 4.040 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.409 10.597 1.871 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.147 8.945 1.347 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.929 9.441 1.305 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.981 9.384 3.056 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.350 11.569 3.042 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.964 11.950 2.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.598 12.869 0.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.020 11.384 0.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.499 11.576 0.897 1.00 0.00 H new ATOM 676 N VAL A 47 7.491 8.387 5.446 1.00 0.00 N ATOM 677 CA VAL A 47 8.575 8.568 6.396 1.00 0.00 C ATOM 678 C VAL A 47 9.602 7.449 6.211 1.00 0.00 C ATOM 679 O VAL A 47 10.803 7.707 6.155 1.00 0.00 O ATOM 680 CB VAL A 47 8.017 8.637 7.819 1.00 0.00 C ATOM 681 CG1 VAL A 47 6.954 9.732 7.939 1.00 0.00 C ATOM 682 CG2 VAL A 47 7.458 7.282 8.256 1.00 0.00 C ATOM 0 H VAL A 47 6.559 8.375 5.860 1.00 0.00 H new ATOM 0 HA VAL A 47 9.087 9.513 6.215 1.00 0.00 H new ATOM 0 HB VAL A 47 8.839 8.892 8.488 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.574 9.760 8.960 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.396 10.697 7.690 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.134 9.520 7.252 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.068 7.359 9.271 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.656 6.984 7.581 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.251 6.535 8.228 1.00 0.00 H new ATOM 692 N SER A 48 9.092 6.230 6.121 1.00 0.00 N ATOM 693 CA SER A 48 9.949 5.071 5.943 1.00 0.00 C ATOM 694 C SER A 48 11.061 5.391 4.941 1.00 0.00 C ATOM 695 O SER A 48 12.205 4.980 5.126 1.00 0.00 O ATOM 696 CB SER A 48 9.145 3.857 5.474 1.00 0.00 C ATOM 697 OG SER A 48 9.927 2.665 5.476 1.00 0.00 O ATOM 0 H SER A 48 8.095 6.020 6.168 1.00 0.00 H new ATOM 0 HA SER A 48 10.396 4.826 6.906 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.279 3.723 6.122 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.766 4.040 4.469 1.00 0.00 H new ATOM 0 HG SER A 48 9.336 1.886 5.405 1.00 0.00 H new ATOM 703 N PHE A 49 10.684 6.121 3.902 1.00 0.00 N ATOM 704 CA PHE A 49 11.634 6.501 2.871 1.00 0.00 C ATOM 705 C PHE A 49 12.060 7.962 3.029 1.00 0.00 C ATOM 706 O PHE A 49 13.079 8.379 2.479 1.00 0.00 O ATOM 707 CB PHE A 49 10.926 6.332 1.525 1.00 0.00 C ATOM 708 CG PHE A 49 10.943 4.899 0.989 1.00 0.00 C ATOM 709 CD1 PHE A 49 9.969 4.024 1.355 1.00 0.00 C ATOM 710 CD2 PHE A 49 11.933 4.501 0.146 1.00 0.00 C ATOM 711 CE1 PHE A 49 9.986 2.694 0.857 1.00 0.00 C ATOM 712 CE2 PHE A 49 11.950 3.171 -0.352 1.00 0.00 C ATOM 713 CZ PHE A 49 10.976 2.296 0.014 1.00 0.00 C ATOM 0 H PHE A 49 9.734 6.459 3.752 1.00 0.00 H new ATOM 0 HA PHE A 49 12.527 5.880 2.942 1.00 0.00 H new ATOM 0 HB2 PHE A 49 9.891 6.659 1.627 1.00 0.00 H new ATOM 0 HB3 PHE A 49 11.397 6.988 0.793 1.00 0.00 H new ATOM 0 HD1 PHE A 49 9.183 4.340 2.024 1.00 0.00 H new ATOM 0 HD2 PHE A 49 12.706 5.196 -0.145 1.00 0.00 H new ATOM 0 HE1 PHE A 49 9.213 1.999 1.148 1.00 0.00 H new ATOM 0 HE2 PHE A 49 12.736 2.855 -1.021 1.00 0.00 H new ATOM 0 HZ PHE A 49 10.989 1.285 -0.365 1.00 0.00 H new ATOM 723 N ASP A 50 11.259 8.701 3.783 1.00 0.00 N ATOM 724 CA ASP A 50 11.540 10.106 4.020 1.00 0.00 C ATOM 725 C ASP A 50 10.992 10.935 2.857 1.00 0.00 C ATOM 726 O ASP A 50 11.727 11.698 2.232 1.00 0.00 O ATOM 727 CB ASP A 50 13.046 10.359 4.112 1.00 0.00 C ATOM 728 CG ASP A 50 13.448 11.579 4.943 1.00 0.00 C ATOM 729 OD1 ASP A 50 13.199 11.539 6.167 1.00 0.00 O ATOM 730 OD2 ASP A 50 13.994 12.525 4.335 1.00 0.00 O ATOM 0 H ASP A 50 10.415 8.352 4.238 1.00 0.00 H new ATOM 0 HA ASP A 50 11.068 10.390 4.961 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.522 9.476 4.538 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.441 10.479 3.103 1.00 0.00 H new ATOM 735 N LEU A 51 9.704 10.757 2.601 1.00 0.00 N ATOM 736 CA LEU A 51 9.049 11.479 1.523 1.00 0.00 C ATOM 737 C LEU A 51 7.851 12.248 2.085 1.00 0.00 C ATOM 738 O LEU A 51 7.190 11.783 3.013 1.00 0.00 O ATOM 739 CB LEU A 51 8.688 10.527 0.382 1.00 0.00 C ATOM 740 CG LEU A 51 9.814 9.617 -0.114 1.00 0.00 C ATOM 741 CD1 LEU A 51 9.257 8.455 -0.938 1.00 0.00 C ATOM 742 CD2 LEU A 51 10.864 10.417 -0.888 1.00 0.00 C ATOM 0 H LEU A 51 9.097 10.124 3.121 1.00 0.00 H new ATOM 0 HA LEU A 51 9.727 12.215 1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.858 9.900 0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.329 11.120 -0.460 1.00 0.00 H new ATOM 0 HG LEU A 51 10.313 9.186 0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.078 7.824 -1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.577 7.866 -0.323 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.718 8.846 -1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.653 9.747 -1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.396 10.895 -1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.292 11.180 -0.238 1.00 0.00 H new ATOM 754 N ASN A 52 7.606 13.410 1.499 1.00 0.00 N ATOM 755 CA ASN A 52 6.499 14.247 1.929 1.00 0.00 C ATOM 756 C ASN A 52 5.280 13.966 1.048 1.00 0.00 C ATOM 757 O ASN A 52 4.152 13.928 1.537 1.00 0.00 O ATOM 758 CB ASN A 52 6.847 15.731 1.795 1.00 0.00 C ATOM 759 CG ASN A 52 8.113 16.071 2.584 1.00 0.00 C ATOM 760 OD1 ASN A 52 8.478 15.406 3.539 1.00 0.00 O ATOM 761 ND2 ASN A 52 8.760 17.142 2.133 1.00 0.00 N ATOM 0 H ASN A 52 8.155 13.792 0.729 1.00 0.00 H new ATOM 0 HA ASN A 52 6.289 14.018 2.974 1.00 0.00 H new ATOM 0 HB2 ASN A 52 6.991 15.981 0.744 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.016 16.337 2.155 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.617 17.451 2.592 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.400 17.654 1.328 1.00 0.00 H new ATOM 768 N THR A 53 5.549 13.776 -0.235 1.00 0.00 N ATOM 769 CA THR A 53 4.488 13.499 -1.189 1.00 0.00 C ATOM 770 C THR A 53 4.881 12.335 -2.101 1.00 0.00 C ATOM 771 O THR A 53 5.952 12.351 -2.706 1.00 0.00 O ATOM 772 CB THR A 53 4.186 14.792 -1.949 1.00 0.00 C ATOM 773 OG1 THR A 53 5.470 15.275 -2.335 1.00 0.00 O ATOM 774 CG2 THR A 53 3.633 15.891 -1.039 1.00 0.00 C ATOM 0 H THR A 53 6.486 13.808 -0.637 1.00 0.00 H new ATOM 0 HA THR A 53 3.576 13.181 -0.685 1.00 0.00 H new ATOM 0 HB THR A 53 3.471 14.586 -2.745 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.991 14.543 -2.727 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.436 16.786 -1.628 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.707 15.549 -0.577 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.362 16.121 -0.262 1.00 0.00 H new ATOM 782 N ILE A 54 3.993 11.354 -2.171 1.00 0.00 N ATOM 783 CA ILE A 54 4.234 10.185 -2.999 1.00 0.00 C ATOM 784 C ILE A 54 2.918 9.742 -3.643 1.00 0.00 C ATOM 785 O ILE A 54 1.854 10.262 -3.311 1.00 0.00 O ATOM 786 CB ILE A 54 4.922 9.086 -2.187 1.00 0.00 C ATOM 787 CG1 ILE A 54 3.954 8.461 -1.180 1.00 0.00 C ATOM 788 CG2 ILE A 54 6.189 9.614 -1.513 1.00 0.00 C ATOM 789 CD1 ILE A 54 4.656 7.396 -0.334 1.00 0.00 C ATOM 0 H ILE A 54 3.106 11.345 -1.668 1.00 0.00 H new ATOM 0 HA ILE A 54 4.921 10.427 -3.810 1.00 0.00 H new ATOM 0 HB ILE A 54 5.228 8.296 -2.872 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.548 9.237 -0.531 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.112 8.014 -1.709 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.658 8.813 -0.942 1.00 0.00 H new ATOM 0 HG22 ILE A 54 6.883 9.973 -2.273 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.930 10.433 -0.842 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.946 6.967 0.374 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.040 6.610 -0.984 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.482 7.851 0.212 1.00 0.00 H new ATOM 801 N GLN A 55 3.035 8.785 -4.552 1.00 0.00 N ATOM 802 CA GLN A 55 1.868 8.266 -5.246 1.00 0.00 C ATOM 803 C GLN A 55 1.941 6.741 -5.339 1.00 0.00 C ATOM 804 O GLN A 55 1.928 6.181 -6.435 1.00 0.00 O ATOM 805 CB GLN A 55 1.730 8.895 -6.634 1.00 0.00 C ATOM 806 CG GLN A 55 0.266 8.937 -7.074 1.00 0.00 C ATOM 807 CD GLN A 55 -0.559 9.834 -6.149 1.00 0.00 C ATOM 808 OE1 GLN A 55 -0.329 11.026 -6.030 1.00 0.00 O ATOM 809 NE2 GLN A 55 -1.531 9.197 -5.502 1.00 0.00 N ATOM 0 H GLN A 55 3.919 8.356 -4.824 1.00 0.00 H new ATOM 0 HA GLN A 55 0.980 8.533 -4.673 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.139 9.905 -6.621 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.314 8.324 -7.356 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.201 9.306 -8.098 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.147 7.928 -7.072 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.670 8.197 -5.647 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.137 9.709 -4.861 1.00 0.00 H new ATOM 818 N ILE A 56 2.015 6.112 -4.176 1.00 0.00 N ATOM 819 CA ILE A 56 2.090 4.662 -4.112 1.00 0.00 C ATOM 820 C ILE A 56 1.213 4.062 -5.213 1.00 0.00 C ATOM 821 O ILE A 56 0.208 4.654 -5.603 1.00 0.00 O ATOM 822 CB ILE A 56 1.739 4.168 -2.708 1.00 0.00 C ATOM 823 CG1 ILE A 56 2.758 4.665 -1.681 1.00 0.00 C ATOM 824 CG2 ILE A 56 1.595 2.645 -2.682 1.00 0.00 C ATOM 825 CD1 ILE A 56 2.067 5.087 -0.383 1.00 0.00 C ATOM 0 H ILE A 56 2.025 6.580 -3.270 1.00 0.00 H new ATOM 0 HA ILE A 56 3.110 4.325 -4.297 1.00 0.00 H new ATOM 0 HB ILE A 56 0.772 4.587 -2.431 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.483 3.878 -1.472 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.313 5.508 -2.093 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.345 2.320 -1.672 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.803 2.343 -3.367 1.00 0.00 H new ATOM 0 HG23 ILE A 56 2.534 2.185 -2.989 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.814 5.436 0.330 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.361 5.891 -0.591 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.533 4.235 0.039 1.00 0.00 H new ATOM 837 N LYS A 57 1.625 2.893 -5.683 1.00 0.00 N ATOM 838 CA LYS A 57 0.889 2.206 -6.730 1.00 0.00 C ATOM 839 C LYS A 57 1.141 0.701 -6.622 1.00 0.00 C ATOM 840 O LYS A 57 2.283 0.252 -6.700 1.00 0.00 O ATOM 841 CB LYS A 57 1.237 2.791 -8.101 1.00 0.00 C ATOM 842 CG LYS A 57 0.489 4.104 -8.343 1.00 0.00 C ATOM 843 CD LYS A 57 0.095 4.247 -9.815 1.00 0.00 C ATOM 844 CE LYS A 57 0.001 5.720 -10.216 1.00 0.00 C ATOM 845 NZ LYS A 57 -1.188 5.951 -11.066 1.00 0.00 N ATOM 0 H LYS A 57 2.459 2.405 -5.357 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.183 2.359 -6.606 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.311 2.963 -8.165 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.982 2.074 -8.882 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.404 4.138 -7.719 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.117 4.944 -8.048 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.829 3.742 -10.443 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.863 3.757 -9.988 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.056 6.343 -9.323 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.902 6.015 -10.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.237 6.956 -11.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.118 5.371 -11.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.046 5.689 -10.541 1.00 0.00 H new ATOM 859 N TYR A 58 0.055 -0.037 -6.443 1.00 0.00 N ATOM 860 CA TYR A 58 0.144 -1.482 -6.323 1.00 0.00 C ATOM 861 C TYR A 58 -0.463 -2.172 -7.547 1.00 0.00 C ATOM 862 O TYR A 58 -1.438 -1.687 -8.118 1.00 0.00 O ATOM 863 CB TYR A 58 -0.675 -1.853 -5.085 1.00 0.00 C ATOM 864 CG TYR A 58 -2.180 -1.952 -5.341 1.00 0.00 C ATOM 865 CD1 TYR A 58 -2.699 -3.054 -5.991 1.00 0.00 C ATOM 866 CD2 TYR A 58 -3.019 -0.940 -4.922 1.00 0.00 C ATOM 867 CE1 TYR A 58 -4.116 -3.147 -6.231 1.00 0.00 C ATOM 868 CE2 TYR A 58 -4.436 -1.033 -5.163 1.00 0.00 C ATOM 869 CZ TYR A 58 -4.914 -2.132 -5.805 1.00 0.00 C ATOM 870 OH TYR A 58 -6.252 -2.219 -6.033 1.00 0.00 O ATOM 0 H TYR A 58 -0.891 0.339 -6.378 1.00 0.00 H new ATOM 0 HA TYR A 58 1.184 -1.798 -6.246 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.319 -2.808 -4.699 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.497 -1.109 -4.308 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -2.042 -3.846 -6.319 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -2.613 -0.078 -4.413 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -4.535 -4.004 -6.738 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.104 -0.248 -4.841 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.413 -2.760 -6.834 1.00 0.00 H new ATOM 880 N LEU A 59 0.140 -3.294 -7.913 1.00 0.00 N ATOM 881 CA LEU A 59 -0.328 -4.056 -9.058 1.00 0.00 C ATOM 882 C LEU A 59 -1.573 -4.852 -8.661 1.00 0.00 C ATOM 883 O LEU A 59 -1.552 -5.595 -7.681 1.00 0.00 O ATOM 884 CB LEU A 59 0.800 -4.920 -9.625 1.00 0.00 C ATOM 885 CG LEU A 59 1.757 -4.222 -10.593 1.00 0.00 C ATOM 886 CD1 LEU A 59 2.681 -5.233 -11.275 1.00 0.00 C ATOM 887 CD2 LEU A 59 0.989 -3.373 -11.608 1.00 0.00 C ATOM 0 H LEU A 59 0.949 -3.693 -7.437 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.622 -3.387 -9.867 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.382 -5.316 -8.792 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.355 -5.773 -10.137 1.00 0.00 H new ATOM 0 HG LEU A 59 2.388 -3.544 -10.019 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.351 -4.711 -11.958 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.268 -5.756 -10.520 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.083 -5.953 -11.834 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.693 -2.888 -12.284 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.317 -4.011 -12.181 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.409 -2.614 -11.083 1.00 0.00 H new ATOM 899 N ASP A 60 -2.627 -4.671 -9.442 1.00 0.00 N ATOM 900 CA ASP A 60 -3.878 -5.363 -9.184 1.00 0.00 C ATOM 901 C ASP A 60 -3.804 -6.775 -9.769 1.00 0.00 C ATOM 902 O ASP A 60 -2.717 -7.328 -9.931 1.00 0.00 O ATOM 903 CB ASP A 60 -5.054 -4.640 -9.843 1.00 0.00 C ATOM 904 CG ASP A 60 -6.300 -4.499 -8.966 1.00 0.00 C ATOM 905 OD1 ASP A 60 -6.982 -5.530 -8.780 1.00 0.00 O ATOM 906 OD2 ASP A 60 -6.542 -3.364 -8.502 1.00 0.00 O ATOM 0 H ASP A 60 -2.641 -4.055 -10.255 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.031 -5.392 -8.105 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.726 -3.645 -10.145 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.327 -5.176 -10.752 1.00 0.00 H new ATOM 911 N GLU A 61 -4.974 -7.319 -10.068 1.00 0.00 N ATOM 912 CA GLU A 61 -5.056 -8.657 -10.631 1.00 0.00 C ATOM 913 C GLU A 61 -4.903 -8.602 -12.153 1.00 0.00 C ATOM 914 O GLU A 61 -5.177 -9.583 -12.843 1.00 0.00 O ATOM 915 CB GLU A 61 -6.367 -9.339 -10.235 1.00 0.00 C ATOM 916 CG GLU A 61 -6.336 -9.777 -8.770 1.00 0.00 C ATOM 917 CD GLU A 61 -6.909 -11.186 -8.607 1.00 0.00 C ATOM 918 OE1 GLU A 61 -7.910 -11.475 -9.297 1.00 0.00 O ATOM 919 OE2 GLU A 61 -6.333 -11.942 -7.795 1.00 0.00 O ATOM 0 H GLU A 61 -5.874 -6.858 -9.931 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.239 -9.253 -10.225 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.200 -8.655 -10.396 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.538 -10.205 -10.874 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.311 -9.753 -8.401 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.909 -9.075 -8.165 1.00 0.00 H new ATOM 926 N GLU A 62 -4.467 -7.446 -12.631 1.00 0.00 N ATOM 927 CA GLU A 62 -4.275 -7.252 -14.058 1.00 0.00 C ATOM 928 C GLU A 62 -2.835 -6.820 -14.346 1.00 0.00 C ATOM 929 O GLU A 62 -2.476 -6.573 -15.496 1.00 0.00 O ATOM 930 CB GLU A 62 -5.273 -6.233 -14.611 1.00 0.00 C ATOM 931 CG GLU A 62 -6.694 -6.542 -14.134 1.00 0.00 C ATOM 932 CD GLU A 62 -7.600 -6.912 -15.310 1.00 0.00 C ATOM 933 OE1 GLU A 62 -7.374 -8.002 -15.879 1.00 0.00 O ATOM 934 OE2 GLU A 62 -8.497 -6.097 -15.614 1.00 0.00 O ATOM 0 H GLU A 62 -4.241 -6.635 -12.056 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.457 -8.201 -14.562 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.989 -5.230 -14.292 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.241 -6.242 -15.701 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.670 -7.362 -13.417 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.103 -5.676 -13.614 1.00 0.00 H new ATOM 941 N ASN A 63 -2.050 -6.744 -13.281 1.00 0.00 N ATOM 942 CA ASN A 63 -0.658 -6.347 -13.405 1.00 0.00 C ATOM 943 C ASN A 63 -0.585 -4.853 -13.726 1.00 0.00 C ATOM 944 O ASN A 63 0.403 -4.383 -14.289 1.00 0.00 O ATOM 945 CB ASN A 63 0.033 -7.109 -14.538 1.00 0.00 C ATOM 946 CG ASN A 63 1.448 -7.527 -14.134 1.00 0.00 C ATOM 947 OD1 ASN A 63 1.682 -8.072 -13.067 1.00 0.00 O ATOM 948 ND2 ASN A 63 2.377 -7.243 -15.043 1.00 0.00 N ATOM 0 H ASN A 63 -2.352 -6.951 -12.329 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.158 -6.571 -12.463 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.551 -7.992 -14.796 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.075 -6.483 -15.429 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.353 -7.483 -14.867 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.114 -6.786 -15.916 1.00 0.00 H new ATOM 955 N GLU A 64 -1.643 -4.148 -13.353 1.00 0.00 N ATOM 956 CA GLU A 64 -1.711 -2.716 -13.595 1.00 0.00 C ATOM 957 C GLU A 64 -1.537 -1.948 -12.283 1.00 0.00 C ATOM 958 O GLU A 64 -2.238 -2.212 -11.307 1.00 0.00 O ATOM 959 CB GLU A 64 -3.024 -2.338 -14.282 1.00 0.00 C ATOM 960 CG GLU A 64 -3.014 -2.757 -15.753 1.00 0.00 C ATOM 961 CD GLU A 64 -4.396 -2.575 -16.385 1.00 0.00 C ATOM 962 OE1 GLU A 64 -4.942 -1.460 -16.244 1.00 0.00 O ATOM 963 OE2 GLU A 64 -4.875 -3.556 -16.994 1.00 0.00 O ATOM 0 H GLU A 64 -2.460 -4.541 -12.885 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.897 -2.441 -14.265 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.858 -2.818 -13.769 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.181 -1.262 -14.208 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.280 -2.164 -16.299 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.707 -3.800 -15.836 1.00 0.00 H new ATOM 970 N GLU A 65 -0.599 -1.013 -12.302 1.00 0.00 N ATOM 971 CA GLU A 65 -0.324 -0.204 -11.127 1.00 0.00 C ATOM 972 C GLU A 65 -1.584 0.549 -10.694 1.00 0.00 C ATOM 973 O GLU A 65 -2.197 1.252 -11.497 1.00 0.00 O ATOM 974 CB GLU A 65 0.832 0.764 -11.385 1.00 0.00 C ATOM 975 CG GLU A 65 2.173 0.128 -11.012 1.00 0.00 C ATOM 976 CD GLU A 65 3.262 1.192 -10.864 1.00 0.00 C ATOM 977 OE1 GLU A 65 3.223 2.159 -11.655 1.00 0.00 O ATOM 978 OE2 GLU A 65 4.110 1.015 -9.962 1.00 0.00 O ATOM 0 H GLU A 65 -0.019 -0.797 -13.113 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.024 -0.867 -10.316 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.842 1.052 -12.436 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.684 1.675 -10.806 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.070 -0.425 -10.078 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.464 -0.591 -11.778 1.00 0.00 H new ATOM 985 N VAL A 66 -1.932 0.378 -9.428 1.00 0.00 N ATOM 986 CA VAL A 66 -3.107 1.033 -8.879 1.00 0.00 C ATOM 987 C VAL A 66 -2.691 1.912 -7.698 1.00 0.00 C ATOM 988 O VAL A 66 -2.130 1.419 -6.720 1.00 0.00 O ATOM 989 CB VAL A 66 -4.161 -0.010 -8.506 1.00 0.00 C ATOM 990 CG1 VAL A 66 -5.398 0.653 -7.897 1.00 0.00 C ATOM 991 CG2 VAL A 66 -4.539 -0.866 -9.717 1.00 0.00 C ATOM 0 H VAL A 66 -1.421 -0.205 -8.766 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.564 1.685 -9.624 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.728 -0.668 -7.752 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.132 -0.111 -7.641 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.113 1.198 -6.997 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.832 1.345 -8.618 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.290 -1.600 -9.424 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.943 -0.227 -10.502 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.654 -1.382 -10.088 1.00 0.00 H new ATOM 1001 N SER A 67 -2.982 3.198 -7.826 1.00 0.00 N ATOM 1002 CA SER A 67 -2.645 4.150 -6.781 1.00 0.00 C ATOM 1003 C SER A 67 -3.788 4.241 -5.768 1.00 0.00 C ATOM 1004 O SER A 67 -4.959 4.207 -6.143 1.00 0.00 O ATOM 1005 CB SER A 67 -2.346 5.530 -7.369 1.00 0.00 C ATOM 1006 OG SER A 67 -3.527 6.312 -7.525 1.00 0.00 O ATOM 0 H SER A 67 -3.448 3.603 -8.638 1.00 0.00 H new ATOM 0 HA SER A 67 -1.746 3.798 -6.275 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.646 6.056 -6.720 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.858 5.414 -8.337 1.00 0.00 H new ATOM 0 HG SER A 67 -3.293 7.186 -7.901 1.00 0.00 H new ATOM 1012 N ILE A 68 -3.408 4.354 -4.504 1.00 0.00 N ATOM 1013 CA ILE A 68 -4.387 4.450 -3.434 1.00 0.00 C ATOM 1014 C ILE A 68 -4.418 5.885 -2.905 1.00 0.00 C ATOM 1015 O ILE A 68 -3.374 6.470 -2.624 1.00 0.00 O ATOM 1016 CB ILE A 68 -4.105 3.403 -2.355 1.00 0.00 C ATOM 1017 CG1 ILE A 68 -4.136 1.990 -2.940 1.00 0.00 C ATOM 1018 CG2 ILE A 68 -5.069 3.557 -1.176 1.00 0.00 C ATOM 1019 CD1 ILE A 68 -3.609 0.967 -1.932 1.00 0.00 C ATOM 0 H ILE A 68 -2.436 4.381 -4.196 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.386 4.226 -3.810 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.098 3.570 -1.972 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.156 1.733 -3.225 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.533 1.955 -3.848 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.847 2.801 -0.423 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.954 4.549 -0.739 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.094 3.431 -1.525 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.642 -0.029 -2.373 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.580 1.213 -1.668 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.229 0.987 -1.035 1.00 0.00 H new ATOM 1031 N ASN A 69 -5.629 6.411 -2.785 1.00 0.00 N ATOM 1032 CA ASN A 69 -5.810 7.767 -2.295 1.00 0.00 C ATOM 1033 C ASN A 69 -6.565 7.727 -0.965 1.00 0.00 C ATOM 1034 O ASN A 69 -6.255 8.485 -0.048 1.00 0.00 O ATOM 1035 CB ASN A 69 -6.630 8.603 -3.280 1.00 0.00 C ATOM 1036 CG ASN A 69 -5.726 9.521 -4.105 1.00 0.00 C ATOM 1037 OD1 ASN A 69 -5.625 10.713 -3.867 1.00 0.00 O ATOM 1038 ND2 ASN A 69 -5.077 8.901 -5.086 1.00 0.00 N ATOM 0 H ASN A 69 -6.494 5.923 -3.019 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.825 8.217 -2.174 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.189 7.944 -3.945 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.361 9.200 -2.735 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -4.449 9.427 -5.694 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.207 7.900 -5.231 1.00 0.00 H new ATOM 1045 N SER A 70 -7.543 6.835 -0.903 1.00 0.00 N ATOM 1046 CA SER A 70 -8.345 6.686 0.299 1.00 0.00 C ATOM 1047 C SER A 70 -8.292 5.237 0.788 1.00 0.00 C ATOM 1048 O SER A 70 -7.635 4.396 0.176 1.00 0.00 O ATOM 1049 CB SER A 70 -9.794 7.109 0.051 1.00 0.00 C ATOM 1050 OG SER A 70 -9.876 8.345 -0.655 1.00 0.00 O ATOM 0 H SER A 70 -7.798 6.208 -1.666 1.00 0.00 H new ATOM 0 HA SER A 70 -7.931 7.338 1.068 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.306 6.332 -0.517 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.313 7.201 1.005 1.00 0.00 H new ATOM 0 HG SER A 70 -10.817 8.580 -0.795 1.00 0.00 H new ATOM 1056 N GLN A 71 -8.992 4.990 1.885 1.00 0.00 N ATOM 1057 CA GLN A 71 -9.033 3.657 2.463 1.00 0.00 C ATOM 1058 C GLN A 71 -9.647 2.667 1.470 1.00 0.00 C ATOM 1059 O GLN A 71 -9.039 1.647 1.150 1.00 0.00 O ATOM 1060 CB GLN A 71 -9.802 3.656 3.785 1.00 0.00 C ATOM 1061 CG GLN A 71 -9.868 2.248 4.380 1.00 0.00 C ATOM 1062 CD GLN A 71 -9.106 2.176 5.704 1.00 0.00 C ATOM 1063 OE1 GLN A 71 -9.373 2.905 6.645 1.00 0.00 O ATOM 1064 NE2 GLN A 71 -8.144 1.257 5.725 1.00 0.00 N ATOM 0 H GLN A 71 -9.536 5.690 2.389 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.011 3.342 2.675 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.319 4.331 4.491 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.811 4.034 3.623 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.909 1.965 4.539 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.447 1.531 3.675 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.973 0.679 4.902 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.578 1.130 6.564 1.00 0.00 H new ATOM 1073 N GLY A 72 -10.843 3.004 1.011 1.00 0.00 N ATOM 1074 CA GLY A 72 -11.546 2.157 0.062 1.00 0.00 C ATOM 1075 C GLY A 72 -10.579 1.567 -0.966 1.00 0.00 C ATOM 1076 O GLY A 72 -10.647 0.378 -1.277 1.00 0.00 O ATOM 0 H GLY A 72 -11.343 3.852 1.278 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -12.053 1.352 0.594 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -12.316 2.737 -0.448 1.00 0.00 H new ATOM 1080 N GLU A 73 -9.701 2.424 -1.466 1.00 0.00 N ATOM 1081 CA GLU A 73 -8.722 2.002 -2.453 1.00 0.00 C ATOM 1082 C GLU A 73 -7.770 0.968 -1.848 1.00 0.00 C ATOM 1083 O GLU A 73 -7.459 -0.040 -2.481 1.00 0.00 O ATOM 1084 CB GLU A 73 -7.949 3.201 -3.007 1.00 0.00 C ATOM 1085 CG GLU A 73 -8.703 3.850 -4.169 1.00 0.00 C ATOM 1086 CD GLU A 73 -7.732 4.493 -5.162 1.00 0.00 C ATOM 1087 OE1 GLU A 73 -7.408 5.681 -4.950 1.00 0.00 O ATOM 1088 OE2 GLU A 73 -7.336 3.781 -6.110 1.00 0.00 O ATOM 0 H GLU A 73 -9.647 3.409 -1.206 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.251 1.537 -3.285 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.792 3.934 -2.216 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.963 2.879 -3.343 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.307 3.100 -4.679 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.389 4.605 -3.785 1.00 0.00 H new ATOM 1095 N TYR A 74 -7.333 1.255 -0.631 1.00 0.00 N ATOM 1096 CA TYR A 74 -6.423 0.362 0.067 1.00 0.00 C ATOM 1097 C TYR A 74 -7.110 -0.959 0.415 1.00 0.00 C ATOM 1098 O TYR A 74 -6.566 -2.032 0.159 1.00 0.00 O ATOM 1099 CB TYR A 74 -6.038 1.080 1.362 1.00 0.00 C ATOM 1100 CG TYR A 74 -5.052 0.302 2.236 1.00 0.00 C ATOM 1101 CD1 TYR A 74 -4.161 -0.577 1.655 1.00 0.00 C ATOM 1102 CD2 TYR A 74 -5.054 0.480 3.604 1.00 0.00 C ATOM 1103 CE1 TYR A 74 -3.233 -1.309 2.477 1.00 0.00 C ATOM 1104 CE2 TYR A 74 -4.125 -0.252 4.426 1.00 0.00 C ATOM 1105 CZ TYR A 74 -3.261 -1.111 3.822 1.00 0.00 C ATOM 1106 OH TYR A 74 -2.385 -1.802 4.599 1.00 0.00 O ATOM 0 H TYR A 74 -7.592 2.093 -0.110 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.559 0.131 -0.556 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.602 2.047 1.113 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.942 1.277 1.939 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.160 -0.716 0.584 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.752 1.168 4.058 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.530 -2.000 2.035 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.115 -0.122 5.498 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.879 -2.413 5.184 1.00 0.00 H new ATOM 1116 N GLU A 75 -8.296 -0.838 0.994 1.00 0.00 N ATOM 1117 CA GLU A 75 -9.063 -2.010 1.380 1.00 0.00 C ATOM 1118 C GLU A 75 -8.971 -3.086 0.296 1.00 0.00 C ATOM 1119 O GLU A 75 -8.408 -4.155 0.524 1.00 0.00 O ATOM 1120 CB GLU A 75 -10.521 -1.642 1.665 1.00 0.00 C ATOM 1121 CG GLU A 75 -10.645 -0.872 2.981 1.00 0.00 C ATOM 1122 CD GLU A 75 -11.795 -1.418 3.829 1.00 0.00 C ATOM 1123 OE1 GLU A 75 -12.827 -1.778 3.222 1.00 0.00 O ATOM 1124 OE2 GLU A 75 -11.617 -1.463 5.066 1.00 0.00 O ATOM 0 H GLU A 75 -8.744 0.054 1.205 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.637 -2.411 2.300 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.914 -1.037 0.847 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.126 -2.547 1.711 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.711 -0.945 3.538 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.811 0.185 2.774 1.00 0.00 H new ATOM 1131 N GLU A 76 -9.534 -2.765 -0.860 1.00 0.00 N ATOM 1132 CA GLU A 76 -9.523 -3.691 -1.980 1.00 0.00 C ATOM 1133 C GLU A 76 -8.132 -4.307 -2.145 1.00 0.00 C ATOM 1134 O GLU A 76 -7.984 -5.528 -2.132 1.00 0.00 O ATOM 1135 CB GLU A 76 -9.972 -2.999 -3.268 1.00 0.00 C ATOM 1136 CG GLU A 76 -11.491 -2.814 -3.290 1.00 0.00 C ATOM 1137 CD GLU A 76 -12.189 -4.074 -3.806 1.00 0.00 C ATOM 1138 OE1 GLU A 76 -11.862 -4.478 -4.943 1.00 0.00 O ATOM 1139 OE2 GLU A 76 -13.033 -4.604 -3.053 1.00 0.00 O ATOM 0 H GLU A 76 -10.000 -1.877 -1.045 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.232 -4.492 -1.771 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.483 -2.029 -3.353 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.661 -3.590 -4.130 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -11.847 -2.582 -2.286 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.749 -1.966 -3.924 1.00 0.00 H new ATOM 1146 N ALA A 77 -7.147 -3.434 -2.296 1.00 0.00 N ATOM 1147 CA ALA A 77 -5.773 -3.877 -2.464 1.00 0.00 C ATOM 1148 C ALA A 77 -5.448 -4.929 -1.402 1.00 0.00 C ATOM 1149 O ALA A 77 -4.830 -5.949 -1.703 1.00 0.00 O ATOM 1150 CB ALA A 77 -4.835 -2.670 -2.395 1.00 0.00 C ATOM 0 H ALA A 77 -7.273 -2.422 -2.306 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.636 -4.341 -3.441 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.805 -3.002 -2.521 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.089 -1.966 -3.188 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -4.943 -2.180 -1.427 1.00 0.00 H new ATOM 1156 N LEU A 78 -5.880 -4.646 -0.182 1.00 0.00 N ATOM 1157 CA LEU A 78 -5.642 -5.555 0.926 1.00 0.00 C ATOM 1158 C LEU A 78 -6.389 -6.867 0.672 1.00 0.00 C ATOM 1159 O LEU A 78 -5.894 -7.942 1.008 1.00 0.00 O ATOM 1160 CB LEU A 78 -6.005 -4.888 2.254 1.00 0.00 C ATOM 1161 CG LEU A 78 -4.955 -3.941 2.838 1.00 0.00 C ATOM 1162 CD1 LEU A 78 -5.573 -3.021 3.893 1.00 0.00 C ATOM 1163 CD2 LEU A 78 -3.758 -4.720 3.386 1.00 0.00 C ATOM 0 H LEU A 78 -6.394 -3.800 0.064 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.582 -5.799 0.998 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.932 -4.331 2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.208 -5.669 2.986 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.584 -3.305 2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.805 -2.358 4.292 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.365 -2.426 3.438 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.989 -3.622 4.701 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.027 -4.023 3.795 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.093 -5.397 4.172 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.300 -5.296 2.582 1.00 0.00 H new ATOM 1175 N LYS A 79 -7.568 -6.735 0.082 1.00 0.00 N ATOM 1176 CA LYS A 79 -8.387 -7.896 -0.220 1.00 0.00 C ATOM 1177 C LYS A 79 -7.679 -8.755 -1.270 1.00 0.00 C ATOM 1178 O LYS A 79 -7.709 -9.982 -1.196 1.00 0.00 O ATOM 1179 CB LYS A 79 -9.798 -7.466 -0.627 1.00 0.00 C ATOM 1180 CG LYS A 79 -10.589 -6.966 0.583 1.00 0.00 C ATOM 1181 CD LYS A 79 -11.285 -5.639 0.273 1.00 0.00 C ATOM 1182 CE LYS A 79 -12.289 -5.278 1.370 1.00 0.00 C ATOM 1183 NZ LYS A 79 -13.277 -4.298 0.865 1.00 0.00 N ATOM 0 H LYS A 79 -7.975 -5.842 -0.195 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.512 -8.515 0.668 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.740 -6.679 -1.378 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.320 -8.306 -1.085 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.331 -7.711 0.870 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.919 -6.839 1.433 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.542 -4.847 0.180 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.798 -5.709 -0.686 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.802 -6.177 1.712 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.764 -4.863 2.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.951 -4.063 1.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.785 -3.434 0.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.790 -4.707 0.058 1.00 0.00 H new ATOM 1197 N MET A 80 -7.060 -8.076 -2.224 1.00 0.00 N ATOM 1198 CA MET A 80 -6.346 -8.761 -3.288 1.00 0.00 C ATOM 1199 C MET A 80 -5.069 -9.416 -2.758 1.00 0.00 C ATOM 1200 O MET A 80 -4.719 -10.522 -3.166 1.00 0.00 O ATOM 1201 CB MET A 80 -5.988 -7.761 -4.389 1.00 0.00 C ATOM 1202 CG MET A 80 -5.836 -8.464 -5.740 1.00 0.00 C ATOM 1203 SD MET A 80 -4.928 -7.424 -6.871 1.00 0.00 S ATOM 1204 CE MET A 80 -3.259 -7.925 -6.480 1.00 0.00 C ATOM 0 H MET A 80 -7.038 -7.058 -2.283 1.00 0.00 H new ATOM 0 HA MET A 80 -6.992 -9.541 -3.690 1.00 0.00 H new ATOM 0 HB2 MET A 80 -6.763 -6.997 -4.458 1.00 0.00 H new ATOM 0 HB3 MET A 80 -5.059 -7.251 -4.134 1.00 0.00 H new ATOM 0 HG2 MET A 80 -5.316 -9.413 -5.609 1.00 0.00 H new ATOM 0 HG3 MET A 80 -6.819 -8.693 -6.153 1.00 0.00 H new ATOM 0 HE1 MET A 80 -2.708 -7.074 -6.079 1.00 0.00 H new ATOM 0 HE2 MET A 80 -3.283 -8.723 -5.738 1.00 0.00 H new ATOM 0 HE3 MET A 80 -2.766 -8.284 -7.383 1.00 0.00 H new ATOM 1214 N ALA A 81 -4.407 -8.705 -1.857 1.00 0.00 N ATOM 1215 CA ALA A 81 -3.177 -9.203 -1.266 1.00 0.00 C ATOM 1216 C ALA A 81 -3.415 -10.609 -0.713 1.00 0.00 C ATOM 1217 O ALA A 81 -2.582 -11.498 -0.886 1.00 0.00 O ATOM 1218 CB ALA A 81 -2.694 -8.227 -0.191 1.00 0.00 C ATOM 0 H ALA A 81 -4.700 -7.787 -1.522 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.391 -9.273 -2.018 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.771 -8.601 0.252 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.511 -7.251 -0.641 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.456 -8.132 0.583 1.00 0.00 H new ATOM 1224 N VAL A 82 -4.555 -10.768 -0.058 1.00 0.00 N ATOM 1225 CA VAL A 82 -4.913 -12.051 0.522 1.00 0.00 C ATOM 1226 C VAL A 82 -4.850 -13.131 -0.561 1.00 0.00 C ATOM 1227 O VAL A 82 -4.318 -14.216 -0.330 1.00 0.00 O ATOM 1228 CB VAL A 82 -6.285 -11.958 1.193 1.00 0.00 C ATOM 1229 CG1 VAL A 82 -6.726 -13.321 1.731 1.00 0.00 C ATOM 1230 CG2 VAL A 82 -6.282 -10.905 2.303 1.00 0.00 C ATOM 0 H VAL A 82 -5.244 -10.029 0.084 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.203 -12.329 1.301 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.007 -11.647 0.438 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -7.704 -13.227 2.203 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.787 -14.034 0.909 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.002 -13.674 2.465 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.269 -10.859 2.764 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.542 -11.173 3.057 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.033 -9.932 1.880 1.00 0.00 H new ATOM 1240 N LYS A 83 -5.399 -12.796 -1.719 1.00 0.00 N ATOM 1241 CA LYS A 83 -5.411 -13.723 -2.837 1.00 0.00 C ATOM 1242 C LYS A 83 -3.974 -14.122 -3.179 1.00 0.00 C ATOM 1243 O LYS A 83 -3.670 -15.307 -3.310 1.00 0.00 O ATOM 1244 CB LYS A 83 -6.181 -13.127 -4.018 1.00 0.00 C ATOM 1245 CG LYS A 83 -7.652 -12.911 -3.660 1.00 0.00 C ATOM 1246 CD LYS A 83 -8.542 -13.033 -4.899 1.00 0.00 C ATOM 1247 CE LYS A 83 -9.344 -11.750 -5.127 1.00 0.00 C ATOM 1248 NZ LYS A 83 -10.683 -12.066 -5.672 1.00 0.00 N ATOM 0 H LYS A 83 -5.839 -11.895 -1.907 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.941 -14.637 -2.568 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -5.731 -12.178 -4.309 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.106 -13.792 -4.878 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.960 -13.643 -2.914 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.780 -11.926 -3.212 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.926 -13.242 -5.774 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.223 -13.876 -4.780 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -9.446 -11.206 -4.188 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.809 -11.097 -5.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.214 -11.184 -5.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.580 -12.565 -6.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.197 -12.671 -5.000 1.00 0.00 H new ATOM 1262 N GLN A 84 -3.129 -13.111 -3.313 1.00 0.00 N ATOM 1263 CA GLN A 84 -1.731 -13.342 -3.636 1.00 0.00 C ATOM 1264 C GLN A 84 -1.088 -14.255 -2.590 1.00 0.00 C ATOM 1265 O GLN A 84 -0.673 -15.370 -2.905 1.00 0.00 O ATOM 1266 CB GLN A 84 -0.969 -12.021 -3.753 1.00 0.00 C ATOM 1267 CG GLN A 84 -1.802 -10.971 -4.491 1.00 0.00 C ATOM 1268 CD GLN A 84 -1.004 -10.343 -5.636 1.00 0.00 C ATOM 1269 OE1 GLN A 84 -0.493 -11.019 -6.514 1.00 0.00 O ATOM 1270 NE2 GLN A 84 -0.926 -9.017 -5.577 1.00 0.00 N ATOM 0 H GLN A 84 -3.385 -12.130 -3.204 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.680 -13.839 -4.605 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -0.714 -11.655 -2.759 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.031 -12.184 -4.283 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -2.708 -11.431 -4.884 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.116 -10.195 -3.793 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.378 -8.513 -4.814 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -0.415 -8.504 -6.295 1.00 0.00 H new ATOM 1279 N GLY A 85 -1.026 -13.749 -1.368 1.00 0.00 N ATOM 1280 CA GLY A 85 -0.440 -14.505 -0.274 1.00 0.00 C ATOM 1281 C GLY A 85 -0.197 -13.610 0.943 1.00 0.00 C ATOM 1282 O GLY A 85 0.861 -13.677 1.566 1.00 0.00 O ATOM 0 H GLY A 85 -1.372 -12.825 -1.111 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.102 -15.326 0.001 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.502 -14.949 -0.597 1.00 0.00 H new ATOM 1286 N ASN A 86 -1.195 -12.792 1.245 1.00 0.00 N ATOM 1287 CA ASN A 86 -1.103 -11.884 2.376 1.00 0.00 C ATOM 1288 C ASN A 86 -0.011 -10.847 2.104 1.00 0.00 C ATOM 1289 O ASN A 86 0.641 -10.370 3.032 1.00 0.00 O ATOM 1290 CB ASN A 86 -0.733 -12.636 3.656 1.00 0.00 C ATOM 1291 CG ASN A 86 -1.591 -13.891 3.822 1.00 0.00 C ATOM 1292 OD1 ASN A 86 -1.163 -15.005 3.569 1.00 0.00 O ATOM 1293 ND2 ASN A 86 -2.823 -13.650 4.261 1.00 0.00 N ATOM 0 H ASN A 86 -2.071 -12.739 0.726 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.074 -11.406 2.506 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.321 -12.913 3.628 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -0.868 -11.982 4.518 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.473 -14.422 4.405 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -3.118 -12.693 4.454 1.00 0.00 H new ATOM 1300 N GLN A 87 0.154 -10.529 0.829 1.00 0.00 N ATOM 1301 CA GLN A 87 1.155 -9.557 0.424 1.00 0.00 C ATOM 1302 C GLN A 87 0.659 -8.755 -0.781 1.00 0.00 C ATOM 1303 O GLN A 87 -0.198 -9.220 -1.531 1.00 0.00 O ATOM 1304 CB GLN A 87 2.489 -10.240 0.116 1.00 0.00 C ATOM 1305 CG GLN A 87 2.381 -11.116 -1.133 1.00 0.00 C ATOM 1306 CD GLN A 87 2.654 -10.302 -2.400 1.00 0.00 C ATOM 1307 OE1 GLN A 87 3.098 -9.167 -2.355 1.00 0.00 O ATOM 1308 NE2 GLN A 87 2.364 -10.943 -3.528 1.00 0.00 N ATOM 0 H GLN A 87 -0.389 -10.927 0.063 1.00 0.00 H new ATOM 0 HA GLN A 87 1.320 -8.868 1.252 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.262 -9.486 -0.030 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.795 -10.849 0.967 1.00 0.00 H new ATOM 0 HG2 GLN A 87 3.091 -11.940 -1.066 1.00 0.00 H new ATOM 0 HG3 GLN A 87 1.386 -11.557 -1.187 1.00 0.00 H new ATOM 0 HE21 GLN A 87 1.995 -11.893 -3.494 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.511 -10.485 -4.427 1.00 0.00 H new ATOM 1317 N LEU A 88 1.219 -7.563 -0.930 1.00 0.00 N ATOM 1318 CA LEU A 88 0.844 -6.692 -2.030 1.00 0.00 C ATOM 1319 C LEU A 88 2.092 -5.984 -2.562 1.00 0.00 C ATOM 1320 O LEU A 88 2.901 -5.478 -1.786 1.00 0.00 O ATOM 1321 CB LEU A 88 -0.270 -5.735 -1.602 1.00 0.00 C ATOM 1322 CG LEU A 88 -0.987 -4.991 -2.730 1.00 0.00 C ATOM 1323 CD1 LEU A 88 -1.548 -5.971 -3.763 1.00 0.00 C ATOM 1324 CD2 LEU A 88 -2.068 -4.062 -2.174 1.00 0.00 C ATOM 0 H LEU A 88 1.930 -7.180 -0.307 1.00 0.00 H new ATOM 0 HA LEU A 88 0.432 -7.275 -2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.012 -6.301 -1.039 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.154 -4.998 -0.920 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.258 -4.364 -3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.053 -5.416 -4.554 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.733 -6.554 -4.192 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.259 -6.642 -3.280 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.562 -3.545 -2.997 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.802 -4.648 -1.621 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.611 -3.330 -1.508 1.00 0.00 H new ATOM 1336 N GLN A 89 2.208 -5.970 -3.882 1.00 0.00 N ATOM 1337 CA GLN A 89 3.344 -5.332 -4.526 1.00 0.00 C ATOM 1338 C GLN A 89 3.035 -3.861 -4.812 1.00 0.00 C ATOM 1339 O GLN A 89 2.354 -3.545 -5.787 1.00 0.00 O ATOM 1340 CB GLN A 89 3.732 -6.071 -5.809 1.00 0.00 C ATOM 1341 CG GLN A 89 4.786 -7.144 -5.527 1.00 0.00 C ATOM 1342 CD GLN A 89 4.142 -8.527 -5.411 1.00 0.00 C ATOM 1343 OE1 GLN A 89 3.162 -8.727 -4.713 1.00 0.00 O ATOM 1344 NE2 GLN A 89 4.747 -9.467 -6.132 1.00 0.00 N ATOM 0 H GLN A 89 1.535 -6.390 -4.523 1.00 0.00 H new ATOM 0 HA GLN A 89 4.196 -5.378 -3.847 1.00 0.00 H new ATOM 0 HB2 GLN A 89 2.848 -6.532 -6.249 1.00 0.00 H new ATOM 0 HB3 GLN A 89 4.118 -5.360 -6.540 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.527 -7.150 -6.326 1.00 0.00 H new ATOM 0 HG3 GLN A 89 5.314 -6.906 -4.604 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.564 -9.231 -6.695 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.394 -10.424 -6.122 1.00 0.00 H new ATOM 1353 N MET A 90 3.550 -3.002 -3.945 1.00 0.00 N ATOM 1354 CA MET A 90 3.337 -1.572 -4.093 1.00 0.00 C ATOM 1355 C MET A 90 4.609 -0.877 -4.582 1.00 0.00 C ATOM 1356 O MET A 90 5.716 -1.339 -4.313 1.00 0.00 O ATOM 1357 CB MET A 90 2.915 -0.978 -2.748 1.00 0.00 C ATOM 1358 CG MET A 90 1.641 -1.646 -2.229 1.00 0.00 C ATOM 1359 SD MET A 90 1.504 -1.413 -0.464 1.00 0.00 S ATOM 1360 CE MET A 90 0.219 -0.175 -0.413 1.00 0.00 C ATOM 0 H MET A 90 4.114 -3.268 -3.138 1.00 0.00 H new ATOM 0 HA MET A 90 2.552 -1.414 -4.832 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.718 -1.105 -2.022 1.00 0.00 H new ATOM 0 HB3 MET A 90 2.750 0.094 -2.856 1.00 0.00 H new ATOM 0 HG2 MET A 90 0.769 -1.223 -2.729 1.00 0.00 H new ATOM 0 HG3 MET A 90 1.657 -2.710 -2.463 1.00 0.00 H new ATOM 0 HE1 MET A 90 0.646 0.781 -0.109 1.00 0.00 H new ATOM 0 HE2 MET A 90 -0.228 -0.074 -1.402 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.547 -0.474 0.303 1.00 0.00 H new ATOM 1370 N GLN A 91 4.407 0.224 -5.292 1.00 0.00 N ATOM 1371 CA GLN A 91 5.524 0.988 -5.822 1.00 0.00 C ATOM 1372 C GLN A 91 5.352 2.473 -5.497 1.00 0.00 C ATOM 1373 O GLN A 91 4.385 3.099 -5.930 1.00 0.00 O ATOM 1374 CB GLN A 91 5.672 0.770 -7.329 1.00 0.00 C ATOM 1375 CG GLN A 91 6.318 -0.585 -7.626 1.00 0.00 C ATOM 1376 CD GLN A 91 6.279 -0.894 -9.124 1.00 0.00 C ATOM 1377 OE1 GLN A 91 6.983 -0.300 -9.925 1.00 0.00 O ATOM 1378 NE2 GLN A 91 5.421 -1.854 -9.457 1.00 0.00 N ATOM 0 H GLN A 91 3.487 0.605 -5.512 1.00 0.00 H new ATOM 0 HA GLN A 91 6.439 0.635 -5.346 1.00 0.00 H new ATOM 0 HB2 GLN A 91 4.693 0.822 -7.806 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.278 1.568 -7.758 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.351 -0.584 -7.278 1.00 0.00 H new ATOM 0 HG3 GLN A 91 5.797 -1.369 -7.076 1.00 0.00 H new ATOM 0 HE21 GLN A 91 4.862 -2.311 -8.736 1.00 0.00 H new ATOM 0 HE22 GLN A 91 5.322 -2.134 -10.433 1.00 0.00 H new ATOM 1387 N VAL A 92 6.305 2.994 -4.738 1.00 0.00 N ATOM 1388 CA VAL A 92 6.271 4.394 -4.351 1.00 0.00 C ATOM 1389 C VAL A 92 6.590 5.264 -5.568 1.00 0.00 C ATOM 1390 O VAL A 92 7.501 4.955 -6.335 1.00 0.00 O ATOM 1391 CB VAL A 92 7.224 4.636 -3.178 1.00 0.00 C ATOM 1392 CG1 VAL A 92 7.819 6.044 -3.236 1.00 0.00 C ATOM 1393 CG2 VAL A 92 6.520 4.393 -1.841 1.00 0.00 C ATOM 0 H VAL A 92 7.105 2.472 -4.381 1.00 0.00 H new ATOM 0 HA VAL A 92 5.274 4.670 -4.006 1.00 0.00 H new ATOM 0 HB VAL A 92 8.044 3.923 -3.260 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.492 6.190 -2.391 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.373 6.167 -4.167 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.016 6.780 -3.191 1.00 0.00 H new ATOM 0 HG21 VAL A 92 7.219 4.572 -1.024 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.672 5.071 -1.748 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.167 3.363 -1.798 1.00 0.00 H new ATOM 1403 N HIS A 93 5.821 6.334 -5.708 1.00 0.00 N ATOM 1404 CA HIS A 93 6.010 7.251 -6.820 1.00 0.00 C ATOM 1405 C HIS A 93 5.923 8.693 -6.316 1.00 0.00 C ATOM 1406 O HIS A 93 4.833 9.253 -6.213 1.00 0.00 O ATOM 1407 CB HIS A 93 5.016 6.954 -7.944 1.00 0.00 C ATOM 1408 CG HIS A 93 5.364 5.737 -8.767 1.00 0.00 C ATOM 1409 ND1 HIS A 93 6.423 5.712 -9.658 1.00 0.00 N ATOM 1410 CD2 HIS A 93 4.785 4.503 -8.823 1.00 0.00 C ATOM 1411 CE1 HIS A 93 6.468 4.514 -10.221 1.00 0.00 C ATOM 1412 NE2 HIS A 93 5.452 3.766 -9.702 1.00 0.00 N ATOM 0 H HIS A 93 5.066 6.587 -5.070 1.00 0.00 H new ATOM 0 HA HIS A 93 7.003 7.112 -7.247 1.00 0.00 H new ATOM 0 HB2 HIS A 93 4.025 6.816 -7.511 1.00 0.00 H new ATOM 0 HB3 HIS A 93 4.958 7.821 -8.602 1.00 0.00 H new ATOM 0 HD2 HIS A 93 3.929 4.181 -8.249 1.00 0.00 H new ATOM 0 HE1 HIS A 93 7.183 4.187 -10.961 1.00 0.00 H new ATOM 0 HE2 HIS A 93 5.240 2.799 -9.949 1.00 0.00 H new ATOM 1420 N GLU A 94 7.086 9.253 -6.017 1.00 0.00 N ATOM 1421 CA GLU A 94 7.155 10.619 -5.527 1.00 0.00 C ATOM 1422 C GLU A 94 6.262 11.531 -6.371 1.00 0.00 C ATOM 1423 O GLU A 94 6.182 11.374 -7.588 1.00 0.00 O ATOM 1424 CB GLU A 94 8.598 11.125 -5.513 1.00 0.00 C ATOM 1425 CG GLU A 94 9.161 11.137 -4.090 1.00 0.00 C ATOM 1426 CD GLU A 94 9.339 12.570 -3.584 1.00 0.00 C ATOM 1427 OE1 GLU A 94 9.760 13.414 -4.404 1.00 0.00 O ATOM 1428 OE2 GLU A 94 9.050 12.789 -2.387 1.00 0.00 O ATOM 0 H GLU A 94 7.988 8.785 -6.105 1.00 0.00 H new ATOM 0 HA GLU A 94 6.790 10.635 -4.500 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.216 10.490 -6.147 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.639 12.130 -5.933 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.490 10.593 -3.425 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.120 10.618 -4.070 1.00 0.00 H new ATOM 1435 N GLY A 95 5.614 12.465 -5.691 1.00 0.00 N ATOM 1436 CA GLY A 95 4.730 13.403 -6.363 1.00 0.00 C ATOM 1437 C GLY A 95 5.489 14.660 -6.793 1.00 0.00 C ATOM 1438 O GLY A 95 5.316 15.142 -7.911 1.00 0.00 O ATOM 0 H GLY A 95 5.683 12.593 -4.681 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.284 12.926 -7.236 1.00 0.00 H new ATOM 0 HA3 GLY A 95 3.912 13.678 -5.697 1.00 0.00 H new ATOM 1442 N SER A 96 6.314 15.155 -5.881 1.00 0.00 N ATOM 1443 CA SER A 96 7.100 16.346 -6.152 1.00 0.00 C ATOM 1444 C SER A 96 7.967 16.130 -7.393 1.00 0.00 C ATOM 1445 O SER A 96 7.838 16.854 -8.379 1.00 0.00 O ATOM 1446 CB SER A 96 7.974 16.714 -4.951 1.00 0.00 C ATOM 1447 OG SER A 96 9.027 17.604 -5.310 1.00 0.00 O ATOM 0 H SER A 96 6.455 14.753 -4.954 1.00 0.00 H new ATOM 0 HA SER A 96 6.415 17.173 -6.336 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.356 17.175 -4.181 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.397 15.807 -4.519 1.00 0.00 H new ATOM 0 HG SER A 96 9.827 17.392 -4.786 1.00 0.00 H new ATOM 1453 N GLY A 97 8.833 15.131 -7.305 1.00 0.00 N ATOM 1454 CA GLY A 97 9.721 14.810 -8.409 1.00 0.00 C ATOM 1455 C GLY A 97 11.176 15.115 -8.048 1.00 0.00 C ATOM 1456 O GLY A 97 11.443 15.863 -7.108 1.00 0.00 O ATOM 0 H GLY A 97 8.938 14.533 -6.485 1.00 0.00 H new ATOM 0 HA2 GLY A 97 9.620 13.756 -8.667 1.00 0.00 H new ATOM 0 HA3 GLY A 97 9.433 15.383 -9.290 1.00 0.00 H new ATOM 1460 N PRO A 98 12.104 14.505 -8.834 1.00 0.00 N ATOM 1461 CA PRO A 98 13.525 14.704 -8.607 1.00 0.00 C ATOM 1462 C PRO A 98 13.970 16.085 -9.093 1.00 0.00 C ATOM 1463 O PRO A 98 14.499 16.217 -10.196 1.00 0.00 O ATOM 1464 CB PRO A 98 14.205 13.565 -9.349 1.00 0.00 C ATOM 1465 CG PRO A 98 13.179 13.044 -10.343 1.00 0.00 C ATOM 1466 CD PRO A 98 11.824 13.614 -9.956 1.00 0.00 C ATOM 0 HA PRO A 98 13.789 14.686 -7.550 1.00 0.00 H new ATOM 0 HB2 PRO A 98 15.103 13.913 -9.860 1.00 0.00 H new ATOM 0 HB3 PRO A 98 14.515 12.780 -8.660 1.00 0.00 H new ATOM 0 HG2 PRO A 98 13.444 13.344 -11.357 1.00 0.00 H new ATOM 0 HG3 PRO A 98 13.153 11.954 -10.329 1.00 0.00 H new ATOM 0 HD2 PRO A 98 11.370 14.154 -10.787 1.00 0.00 H new ATOM 0 HD3 PRO A 98 11.129 12.824 -9.671 1.00 0.00 H new ATOM 1474 N SER A 99 13.740 17.078 -8.247 1.00 0.00 N ATOM 1475 CA SER A 99 14.110 18.443 -8.577 1.00 0.00 C ATOM 1476 C SER A 99 14.034 19.322 -7.327 1.00 0.00 C ATOM 1477 O SER A 99 12.974 19.857 -7.004 1.00 0.00 O ATOM 1478 CB SER A 99 13.211 19.007 -9.678 1.00 0.00 C ATOM 1479 OG SER A 99 11.829 18.856 -9.369 1.00 0.00 O ATOM 0 H SER A 99 13.302 16.964 -7.333 1.00 0.00 H new ATOM 0 HA SER A 99 15.134 18.439 -8.949 1.00 0.00 H new ATOM 0 HB2 SER A 99 13.436 20.063 -9.824 1.00 0.00 H new ATOM 0 HB3 SER A 99 13.429 18.501 -10.619 1.00 0.00 H new ATOM 0 HG SER A 99 11.669 19.134 -8.443 1.00 0.00 H new ATOM 1485 N SER A 100 15.171 19.445 -6.658 1.00 0.00 N ATOM 1486 CA SER A 100 15.246 20.250 -5.451 1.00 0.00 C ATOM 1487 C SER A 100 14.090 19.897 -4.513 1.00 0.00 C ATOM 1488 O SER A 100 12.988 20.423 -4.655 1.00 0.00 O ATOM 1489 CB SER A 100 15.222 21.744 -5.783 1.00 0.00 C ATOM 1490 OG SER A 100 16.463 22.190 -6.325 1.00 0.00 O ATOM 0 H SER A 100 16.048 19.000 -6.929 1.00 0.00 H new ATOM 0 HA SER A 100 16.190 20.031 -4.952 1.00 0.00 H new ATOM 0 HB2 SER A 100 14.422 21.944 -6.496 1.00 0.00 H new ATOM 0 HB3 SER A 100 14.995 22.312 -4.881 1.00 0.00 H new ATOM 0 HG SER A 100 16.407 23.148 -6.525 1.00 0.00 H new ATOM 1496 N GLY A 101 14.382 19.007 -3.575 1.00 0.00 N ATOM 1497 CA GLY A 101 13.381 18.577 -2.614 1.00 0.00 C ATOM 1498 C GLY A 101 12.425 17.559 -3.238 1.00 0.00 C ATOM 1499 O GLY A 101 11.939 17.758 -4.350 1.00 0.00 O ATOM 0 H GLY A 101 15.298 18.572 -3.461 1.00 0.00 H new ATOM 0 HA2 GLY A 101 13.871 18.137 -1.746 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.818 19.440 -2.259 1.00 0.00 H new TER 1503 GLY A 101