USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 686 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 -2 GLY N :NH3+ 148:sc= 0.509 (180deg=0) USER MOD Set 1.2: A 83 ASN : amide:sc= 0.438 K(o=0.95,f=-0.72) USER MOD Single : A 0 HIS : no HD1:sc= -0.1 X(o=-0.1,f=0) USER MOD Single : A 1 MET CE :methyl 173:sc= 0 (180deg=-0.0366) USER MOD Single : A 6 SER OG : rot 180:sc= 0.0353 USER MOD Single : A 8 SER OG : rot 50:sc= 0.54 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 17 SER OG : rot -35:sc= 0.801 USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0.00738 USER MOD Single : A 21 SER OG : rot 180:sc= 0.014 USER MOD Single : A 26 ASN :FLIP amide:sc= 0 F(o=-1.9,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -115:sc= 0.446 (180deg=0) USER MOD Single : A 31 TYR OH : rot -39:sc= 0.205 USER MOD Single : A 33 ASN : amide:sc= -0.171 K(o=-0.17,f=-1.7!) USER MOD Single : A 36 LYS NZ :NH3+ 129:sc= -0.0997 (180deg=-0.615) USER MOD Single : A 37 CYS SG : rot 150:sc= -0.0313 USER MOD Single : A 40 LYS NZ :NH3+ -147:sc= 0.906 (180deg=0.26) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.027 USER MOD Single : A 44 SER OG : rot -42:sc= 0.102 USER MOD Single : A 64 LYS NZ :NH3+ -154:sc= -0.278 (180deg=-0.957) USER MOD Single : A 66 LYS NZ :NH3+ -164:sc= 0.866 (180deg=0.684) USER MOD Single : A 69 CYS SG : rot 180:sc= 0.204 USER MOD Single : A 74 ASN :FLIP amide:sc= -0.0287 F(o=-0.9,f=-0.029) USER MOD Single : A 75 LYS NZ :NH3+ -139:sc= 0.637 (180deg=-0.352) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -9.582 -2.934 -1.184 1.00 1.31 N ATOM 2 CA GLY A -2 -9.253 -1.597 -0.605 1.00 24.31 C ATOM 3 C GLY A -2 -10.468 -0.929 0.020 1.00 34.45 C ATOM 4 O GLY A -2 -11.525 -0.856 -0.603 1.00 61.22 O ATOM 0 H1 GLY A -2 -8.978 -3.112 -2.012 1.00 1.31 H new ATOM 0 H2 GLY A -2 -9.417 -3.672 -0.470 1.00 1.31 H new ATOM 0 H3 GLY A -2 -10.581 -2.950 -1.474 1.00 1.31 H new ATOM 0 HA2 GLY A -2 -8.474 -1.711 0.149 1.00 24.31 H new ATOM 0 HA3 GLY A -2 -8.848 -0.954 -1.386 1.00 24.31 H new ATOM 10 N SER A -1 -10.312 -0.457 1.260 1.00 64.13 N ATOM 11 CA SER A -1 -11.390 0.210 1.996 1.00 34.11 C ATOM 12 C SER A -1 -10.904 1.491 2.703 1.00 51.52 C ATOM 13 O SER A -1 -11.714 2.259 3.230 1.00 30.01 O ATOM 14 CB SER A -1 -11.992 -0.765 3.018 1.00 31.02 C ATOM 15 OG SER A -1 -10.978 -1.363 3.816 1.00 40.11 O ATOM 0 H SER A -1 -9.438 -0.526 1.781 1.00 64.13 H new ATOM 0 HA SER A -1 -12.152 0.510 1.276 1.00 34.11 H new ATOM 0 HB2 SER A -1 -12.698 -0.235 3.658 1.00 31.02 H new ATOM 0 HB3 SER A -1 -12.554 -1.541 2.498 1.00 31.02 H new ATOM 0 HG SER A -1 -11.388 -1.978 4.459 1.00 40.11 H new ATOM 21 N HIS A 0 -9.580 1.707 2.724 1.00 54.12 N ATOM 22 CA HIS A 0 -8.991 2.911 3.333 1.00 72.25 C ATOM 23 C HIS A 0 -7.787 3.397 2.523 1.00 10.14 C ATOM 24 O HIS A 0 -7.382 2.739 1.564 1.00 53.52 O ATOM 25 CB HIS A 0 -8.570 2.642 4.790 1.00 31.40 C ATOM 26 CG HIS A 0 -9.503 3.221 5.818 1.00 24.14 C ATOM 27 ND1 HIS A 0 -9.964 2.509 6.901 1.00 14.02 N ATOM 28 CD2 HIS A 0 -10.045 4.461 5.930 1.00 54.02 C ATOM 29 CE1 HIS A 0 -10.733 3.287 7.643 1.00 13.35 C ATOM 30 NE2 HIS A 0 -10.803 4.474 7.074 1.00 13.23 N ATOM 0 H HIS A 0 -8.896 1.063 2.326 1.00 54.12 H new ATOM 0 HA HIS A 0 -9.753 3.690 3.330 1.00 72.25 H new ATOM 0 HB2 HIS A 0 -8.501 1.565 4.944 1.00 31.40 H new ATOM 0 HB3 HIS A 0 -7.572 3.051 4.950 1.00 31.40 H new ATOM 0 HD2 HIS A 0 -9.905 5.285 5.245 1.00 54.02 H new ATOM 0 HE1 HIS A 0 -11.222 2.998 8.562 1.00 13.35 H new ATOM 0 HE2 HIS A 0 -11.333 5.271 7.426 1.00 13.23 H new ATOM 39 N MET A 1 -7.233 4.558 2.917 1.00 64.52 N ATOM 40 CA MET A 1 -6.024 5.108 2.302 1.00 30.40 C ATOM 41 C MET A 1 -5.435 6.197 3.210 1.00 32.44 C ATOM 42 O MET A 1 -5.798 7.372 3.083 1.00 71.22 O ATOM 43 CB MET A 1 -6.336 5.637 0.885 1.00 23.23 C ATOM 44 CG MET A 1 -5.143 6.208 0.125 1.00 74.32 C ATOM 45 SD MET A 1 -5.399 6.236 -1.668 1.00 53.22 S ATOM 46 CE MET A 1 -6.908 7.187 -1.837 1.00 54.32 C ATOM 0 H MET A 1 -7.613 5.135 3.668 1.00 64.52 H new ATOM 0 HA MET A 1 -5.276 4.323 2.193 1.00 30.40 H new ATOM 0 HB2 MET A 1 -6.765 4.825 0.298 1.00 23.23 H new ATOM 0 HB3 MET A 1 -7.100 6.411 0.964 1.00 23.23 H new ATOM 0 HG2 MET A 1 -4.947 7.221 0.475 1.00 74.32 H new ATOM 0 HG3 MET A 1 -4.257 5.615 0.351 1.00 74.32 H new ATOM 0 HE1 MET A 1 -7.101 7.379 -2.892 1.00 54.32 H new ATOM 0 HE2 MET A 1 -7.741 6.627 -1.412 1.00 54.32 H new ATOM 0 HE3 MET A 1 -6.802 8.135 -1.309 1.00 54.32 H new ATOM 56 N VAL A 2 -4.569 5.753 4.165 1.00 71.21 N ATOM 57 CA VAL A 2 -3.863 6.616 5.169 1.00 4.54 C ATOM 58 C VAL A 2 -4.830 7.215 6.230 1.00 23.23 C ATOM 59 O VAL A 2 -5.939 7.651 5.922 1.00 51.44 O ATOM 60 CB VAL A 2 -3.017 7.760 4.499 1.00 22.41 C ATOM 61 CG1 VAL A 2 -2.226 8.572 5.528 1.00 62.31 C ATOM 62 CG2 VAL A 2 -2.058 7.194 3.461 1.00 31.13 C ATOM 0 H VAL A 2 -4.334 4.765 4.264 1.00 71.21 H new ATOM 0 HA VAL A 2 -3.173 5.947 5.683 1.00 4.54 H new ATOM 0 HB VAL A 2 -3.729 8.426 4.012 1.00 22.41 H new ATOM 0 HG11 VAL A 2 -1.657 9.350 5.018 1.00 62.31 H new ATOM 0 HG12 VAL A 2 -2.915 9.031 6.237 1.00 62.31 H new ATOM 0 HG13 VAL A 2 -1.541 7.914 6.063 1.00 62.31 H new ATOM 0 HG21 VAL A 2 -1.486 8.006 3.013 1.00 31.13 H new ATOM 0 HG22 VAL A 2 -1.377 6.491 3.940 1.00 31.13 H new ATOM 0 HG23 VAL A 2 -2.624 6.679 2.685 1.00 31.13 H new ATOM 72 N ILE A 3 -4.420 7.202 7.502 1.00 1.11 N ATOM 73 CA ILE A 3 -5.208 7.860 8.544 1.00 30.33 C ATOM 74 C ILE A 3 -4.350 8.791 9.449 1.00 14.32 C ATOM 75 O ILE A 3 -4.744 9.943 9.654 1.00 2.31 O ATOM 76 CB ILE A 3 -6.070 6.833 9.373 1.00 61.01 C ATOM 77 CG1 ILE A 3 -6.892 7.562 10.468 1.00 54.24 C ATOM 78 CG2 ILE A 3 -5.214 5.699 9.977 1.00 52.54 C ATOM 79 CD1 ILE A 3 -7.923 6.693 11.162 1.00 53.11 C ATOM 0 H ILE A 3 -3.565 6.753 7.829 1.00 1.11 H new ATOM 0 HA ILE A 3 -5.914 8.513 8.031 1.00 30.33 H new ATOM 0 HB ILE A 3 -6.765 6.362 8.678 1.00 61.01 H new ATOM 0 HG12 ILE A 3 -6.206 7.958 11.217 1.00 54.24 H new ATOM 0 HG13 ILE A 3 -7.399 8.415 10.017 1.00 54.24 H new ATOM 0 HG21 ILE A 3 -5.855 5.019 10.538 1.00 52.54 H new ATOM 0 HG22 ILE A 3 -4.717 5.152 9.176 1.00 52.54 H new ATOM 0 HG23 ILE A 3 -4.465 6.125 10.644 1.00 52.54 H new ATOM 0 HD11 ILE A 3 -8.451 7.283 11.911 1.00 53.11 H new ATOM 0 HD12 ILE A 3 -8.636 6.317 10.428 1.00 53.11 H new ATOM 0 HD13 ILE A 3 -7.424 5.853 11.646 1.00 53.11 H new ATOM 91 N ARG A 4 -3.172 8.335 9.938 1.00 13.03 N ATOM 92 CA ARG A 4 -2.379 9.109 10.907 1.00 51.43 C ATOM 93 C ARG A 4 -1.010 8.433 11.120 1.00 21.51 C ATOM 94 O ARG A 4 -0.663 8.099 12.257 1.00 45.14 O ATOM 95 CB ARG A 4 -3.127 9.224 12.267 1.00 52.22 C ATOM 96 CG ARG A 4 -2.795 10.498 13.078 1.00 60.24 C ATOM 97 CD ARG A 4 -3.761 11.640 12.774 1.00 22.42 C ATOM 98 NE ARG A 4 -3.352 12.893 13.424 1.00 11.03 N ATOM 99 CZ ARG A 4 -4.052 14.040 13.390 1.00 33.44 C ATOM 100 NH1 ARG A 4 -5.213 14.110 12.738 1.00 71.13 N ATOM 101 NH2 ARG A 4 -3.577 15.125 13.996 1.00 5.24 N ATOM 0 H ARG A 4 -2.757 7.441 9.676 1.00 13.03 H new ATOM 0 HA ARG A 4 -2.231 10.113 10.508 1.00 51.43 H new ATOM 0 HB2 ARG A 4 -4.200 9.198 12.080 1.00 52.22 H new ATOM 0 HB3 ARG A 4 -2.888 8.350 12.873 1.00 52.22 H new ATOM 0 HG2 ARG A 4 -2.829 10.268 14.143 1.00 60.24 H new ATOM 0 HG3 ARG A 4 -1.777 10.815 12.853 1.00 60.24 H new ATOM 0 HD2 ARG A 4 -3.816 11.792 11.696 1.00 22.42 H new ATOM 0 HD3 ARG A 4 -4.762 11.367 13.109 1.00 22.42 H new ATOM 0 HE ARG A 4 -2.472 12.892 13.939 1.00 11.03 H new ATOM 0 HH11 ARG A 4 -5.579 13.288 12.258 1.00 71.13 H new ATOM 0 HH12 ARG A 4 -5.735 14.986 12.719 1.00 71.13 H new ATOM 0 HH21 ARG A 4 -2.683 15.086 14.485 1.00 5.24 H new ATOM 0 HH22 ARG A 4 -4.107 15.996 13.971 1.00 5.24 H new ATOM 115 N GLU A 5 -0.278 8.203 9.997 1.00 73.02 N ATOM 116 CA GLU A 5 1.095 7.603 9.985 1.00 51.24 C ATOM 117 C GLU A 5 1.049 6.105 10.401 1.00 53.03 C ATOM 118 O GLU A 5 1.094 5.799 11.599 1.00 64.35 O ATOM 119 CB GLU A 5 2.095 8.352 10.927 1.00 34.51 C ATOM 120 CG GLU A 5 3.411 8.811 10.281 1.00 52.42 C ATOM 121 CD GLU A 5 3.244 10.058 9.441 1.00 74.34 C ATOM 122 OE1 GLU A 5 2.519 10.012 8.428 1.00 4.15 O ATOM 123 OE2 GLU A 5 3.817 11.104 9.812 1.00 51.42 O ATOM 0 H GLU A 5 -0.622 8.429 9.064 1.00 73.02 H new ATOM 0 HA GLU A 5 1.453 7.701 8.960 1.00 51.24 H new ATOM 0 HB2 GLU A 5 1.591 9.226 11.338 1.00 34.51 H new ATOM 0 HB3 GLU A 5 2.333 7.698 11.765 1.00 34.51 H new ATOM 0 HG2 GLU A 5 4.148 9.000 11.062 1.00 52.42 H new ATOM 0 HG3 GLU A 5 3.805 8.008 9.658 1.00 52.42 H new ATOM 130 N SER A 6 0.938 5.162 9.446 1.00 22.40 N ATOM 131 CA SER A 6 0.866 3.750 9.820 1.00 1.10 C ATOM 132 C SER A 6 2.024 2.953 9.165 1.00 23.42 C ATOM 133 O SER A 6 2.976 3.558 8.664 1.00 3.13 O ATOM 134 CB SER A 6 -0.507 3.163 9.428 1.00 64.14 C ATOM 135 OG SER A 6 -0.836 2.044 10.244 1.00 21.43 O ATOM 0 H SER A 6 0.898 5.349 8.444 1.00 22.40 H new ATOM 0 HA SER A 6 0.974 3.667 10.901 1.00 1.10 H new ATOM 0 HB2 SER A 6 -1.276 3.929 9.528 1.00 64.14 H new ATOM 0 HB3 SER A 6 -0.492 2.862 8.381 1.00 64.14 H new ATOM 0 HG SER A 6 -1.711 1.691 9.978 1.00 21.43 H new ATOM 141 N VAL A 7 1.936 1.603 9.192 1.00 20.34 N ATOM 142 CA VAL A 7 2.900 0.699 8.540 1.00 64.22 C ATOM 143 C VAL A 7 2.090 -0.474 7.977 1.00 1.42 C ATOM 144 O VAL A 7 1.414 -1.204 8.712 1.00 70.21 O ATOM 145 CB VAL A 7 4.116 0.174 9.443 1.00 64.03 C ATOM 146 CG1 VAL A 7 5.039 1.312 9.840 1.00 64.34 C ATOM 147 CG2 VAL A 7 3.735 -0.627 10.710 1.00 14.13 C ATOM 0 H VAL A 7 1.184 1.110 9.673 1.00 20.34 H new ATOM 0 HA VAL A 7 3.411 1.277 7.770 1.00 64.22 H new ATOM 0 HB VAL A 7 4.620 -0.536 8.787 1.00 64.03 H new ATOM 0 HG11 VAL A 7 5.853 0.924 10.452 1.00 64.34 H new ATOM 0 HG12 VAL A 7 5.449 1.778 8.944 1.00 64.34 H new ATOM 0 HG13 VAL A 7 4.479 2.053 10.410 1.00 64.34 H new ATOM 0 HG21 VAL A 7 4.641 -0.927 11.237 1.00 14.13 H new ATOM 0 HG22 VAL A 7 3.124 -0.005 11.364 1.00 14.13 H new ATOM 0 HG23 VAL A 7 3.171 -1.515 10.423 1.00 14.13 H new ATOM 157 N SER A 8 2.083 -0.605 6.656 1.00 55.30 N ATOM 158 CA SER A 8 1.205 -1.590 6.001 1.00 74.22 C ATOM 159 C SER A 8 1.834 -3.004 5.975 1.00 41.43 C ATOM 160 O SER A 8 2.921 -3.184 5.425 1.00 13.42 O ATOM 161 CB SER A 8 0.830 -1.099 4.581 1.00 71.12 C ATOM 162 OG SER A 8 1.837 -0.280 4.015 1.00 12.00 O ATOM 0 H SER A 8 2.661 -0.056 6.019 1.00 55.30 H new ATOM 0 HA SER A 8 0.291 -1.677 6.589 1.00 74.22 H new ATOM 0 HB2 SER A 8 0.658 -1.960 3.934 1.00 71.12 H new ATOM 0 HB3 SER A 8 -0.106 -0.542 4.626 1.00 71.12 H new ATOM 0 HG SER A 8 2.705 -0.728 4.094 1.00 12.00 H new ATOM 168 N ARG A 9 1.127 -4.018 6.548 1.00 21.32 N ATOM 169 CA ARG A 9 1.700 -5.397 6.638 1.00 2.03 C ATOM 170 C ARG A 9 0.771 -6.477 6.045 1.00 33.41 C ATOM 171 O ARG A 9 -0.423 -6.288 6.053 1.00 72.44 O ATOM 172 CB ARG A 9 2.083 -5.811 8.092 1.00 15.21 C ATOM 173 CG ARG A 9 0.993 -5.588 9.155 1.00 73.43 C ATOM 174 CD ARG A 9 1.155 -4.274 9.911 1.00 53.43 C ATOM 175 NE ARG A 9 0.155 -4.121 10.974 1.00 25.53 N ATOM 176 CZ ARG A 9 0.375 -3.488 12.139 1.00 0.50 C ATOM 177 NH1 ARG A 9 1.561 -2.935 12.400 1.00 5.53 N ATOM 178 NH2 ARG A 9 -0.598 -3.397 13.041 1.00 63.44 N ATOM 0 H ARG A 9 0.192 -3.917 6.943 1.00 21.32 H new ATOM 0 HA ARG A 9 2.609 -5.343 6.038 1.00 2.03 H new ATOM 0 HB2 ARG A 9 2.354 -6.867 8.091 1.00 15.21 H new ATOM 0 HB3 ARG A 9 2.972 -5.254 8.387 1.00 15.21 H new ATOM 0 HG2 ARG A 9 0.015 -5.605 8.673 1.00 73.43 H new ATOM 0 HG3 ARG A 9 1.013 -6.414 9.866 1.00 73.43 H new ATOM 0 HD2 ARG A 9 2.154 -4.227 10.344 1.00 53.43 H new ATOM 0 HD3 ARG A 9 1.071 -3.442 9.212 1.00 53.43 H new ATOM 0 HE ARG A 9 -0.770 -4.522 10.818 1.00 25.53 H new ATOM 0 HH11 ARG A 9 2.312 -2.990 11.712 1.00 5.53 H new ATOM 0 HH12 ARG A 9 1.717 -2.457 13.288 1.00 5.53 H new ATOM 0 HH21 ARG A 9 -1.512 -3.808 12.849 1.00 63.44 H new ATOM 0 HH22 ARG A 9 -0.431 -2.917 13.925 1.00 63.44 H new ATOM 192 N ILE A 10 1.308 -7.642 5.580 1.00 13.51 N ATOM 193 CA ILE A 10 0.463 -8.713 5.022 1.00 2.21 C ATOM 194 C ILE A 10 0.599 -9.945 5.899 1.00 3.01 C ATOM 195 O ILE A 10 1.709 -10.213 6.417 1.00 53.32 O ATOM 196 CB ILE A 10 0.834 -9.075 3.515 1.00 75.34 C ATOM 197 CG1 ILE A 10 0.383 -7.941 2.574 1.00 15.54 C ATOM 198 CG2 ILE A 10 0.253 -10.440 3.029 1.00 64.43 C ATOM 199 CD1 ILE A 10 0.562 -8.192 1.082 1.00 31.33 C ATOM 0 H ILE A 10 2.306 -7.851 5.584 1.00 13.51 H new ATOM 0 HA ILE A 10 -0.566 -8.355 5.010 1.00 2.21 H new ATOM 0 HB ILE A 10 1.918 -9.182 3.486 1.00 75.34 H new ATOM 0 HG12 ILE A 10 -0.671 -7.738 2.763 1.00 15.54 H new ATOM 0 HG13 ILE A 10 0.934 -7.038 2.838 1.00 15.54 H new ATOM 0 HG21 ILE A 10 0.549 -10.614 1.995 1.00 64.43 H new ATOM 0 HG22 ILE A 10 0.638 -11.244 3.657 1.00 64.43 H new ATOM 0 HG23 ILE A 10 -0.835 -10.417 3.096 1.00 64.43 H new ATOM 0 HD11 ILE A 10 0.210 -7.325 0.522 1.00 31.33 H new ATOM 0 HD12 ILE A 10 1.617 -8.360 0.865 1.00 31.33 H new ATOM 0 HD13 ILE A 10 -0.013 -9.071 0.789 1.00 31.33 H new ATOM 211 N TYR A 11 -0.556 -10.634 6.086 1.00 70.41 N ATOM 212 CA TYR A 11 -0.620 -11.884 6.857 1.00 32.33 C ATOM 213 C TYR A 11 -0.682 -13.116 5.883 1.00 61.25 C ATOM 214 O TYR A 11 -1.653 -13.217 5.089 1.00 35.15 O ATOM 215 CB TYR A 11 -1.869 -11.857 7.787 1.00 2.12 C ATOM 216 CG TYR A 11 -1.742 -12.704 9.048 1.00 61.23 C ATOM 217 CD1 TYR A 11 -1.870 -14.089 9.020 1.00 24.22 C ATOM 218 CD2 TYR A 11 -1.491 -12.099 10.276 1.00 22.12 C ATOM 219 CE1 TYR A 11 -1.756 -14.839 10.175 1.00 21.13 C ATOM 220 CE2 TYR A 11 -1.376 -12.848 11.435 1.00 44.33 C ATOM 221 CZ TYR A 11 -1.508 -14.217 11.376 1.00 34.41 C ATOM 222 OH TYR A 11 -1.395 -14.968 12.524 1.00 42.14 O ATOM 0 H TYR A 11 -1.455 -10.336 5.708 1.00 70.41 H new ATOM 0 HA TYR A 11 0.276 -11.978 7.471 1.00 32.33 H new ATOM 0 HB2 TYR A 11 -2.067 -10.825 8.077 1.00 2.12 H new ATOM 0 HB3 TYR A 11 -2.735 -12.200 7.220 1.00 2.12 H new ATOM 0 HD1 TYR A 11 -2.062 -14.586 8.080 1.00 24.22 H new ATOM 0 HD2 TYR A 11 -1.384 -11.025 10.326 1.00 22.12 H new ATOM 0 HE1 TYR A 11 -1.862 -15.913 10.134 1.00 21.13 H new ATOM 0 HE2 TYR A 11 -1.184 -12.361 12.380 1.00 44.33 H new ATOM 0 HH TYR A 11 -1.219 -14.377 13.286 1.00 42.14 H new ATOM 232 N VAL A 12 0.345 -14.039 5.893 1.00 34.43 N ATOM 233 CA VAL A 12 0.321 -15.217 4.991 1.00 63.31 C ATOM 234 C VAL A 12 0.531 -16.481 5.827 1.00 73.12 C ATOM 235 O VAL A 12 1.645 -16.756 6.261 1.00 62.31 O ATOM 236 CB VAL A 12 1.443 -15.166 3.844 1.00 33.31 C ATOM 237 CG1 VAL A 12 0.933 -15.662 2.504 1.00 64.23 C ATOM 238 CG2 VAL A 12 2.045 -13.784 3.664 1.00 32.34 C ATOM 0 H VAL A 12 1.164 -13.981 6.498 1.00 34.43 H new ATOM 0 HA VAL A 12 -0.648 -15.216 4.491 1.00 63.31 H new ATOM 0 HB VAL A 12 2.224 -15.841 4.195 1.00 33.31 H new ATOM 0 HG11 VAL A 12 1.733 -15.605 1.766 1.00 64.23 H new ATOM 0 HG12 VAL A 12 0.602 -16.696 2.601 1.00 64.23 H new ATOM 0 HG13 VAL A 12 0.097 -15.042 2.181 1.00 64.23 H new ATOM 0 HG21 VAL A 12 2.796 -13.814 2.875 1.00 32.34 H new ATOM 0 HG22 VAL A 12 1.261 -13.078 3.391 1.00 32.34 H new ATOM 0 HG23 VAL A 12 2.511 -13.466 4.597 1.00 32.34 H new ATOM 248 N GLY A 13 -0.527 -17.256 6.046 1.00 33.12 N ATOM 249 CA GLY A 13 -0.377 -18.509 6.779 1.00 34.12 C ATOM 250 C GLY A 13 -0.629 -19.736 5.916 1.00 20.12 C ATOM 251 O GLY A 13 -0.813 -19.578 4.712 1.00 73.33 O ATOM 0 H GLY A 13 -1.476 -17.046 5.735 1.00 33.12 H new ATOM 0 HA2 GLY A 13 0.630 -18.563 7.193 1.00 34.12 H new ATOM 0 HA3 GLY A 13 -1.069 -18.516 7.621 1.00 34.12 H new ATOM 255 N ASN A 14 -0.603 -20.965 6.532 1.00 61.03 N ATOM 256 CA ASN A 14 -1.031 -22.247 5.871 1.00 74.10 C ATOM 257 C ASN A 14 -0.333 -22.574 4.505 1.00 22.44 C ATOM 258 O ASN A 14 -0.909 -23.254 3.657 1.00 53.03 O ATOM 259 CB ASN A 14 -2.567 -22.239 5.692 1.00 41.25 C ATOM 260 CG ASN A 14 -3.327 -22.194 7.011 1.00 45.34 C ATOM 261 OD1 ASN A 14 -3.651 -21.120 7.514 1.00 43.12 O ATOM 262 ND2 ASN A 14 -3.620 -23.354 7.575 1.00 44.02 N ATOM 0 H ASN A 14 -0.287 -21.093 7.493 1.00 61.03 H new ATOM 0 HA ASN A 14 -0.708 -23.043 6.542 1.00 74.10 H new ATOM 0 HB2 ASN A 14 -2.851 -21.378 5.088 1.00 41.25 H new ATOM 0 HB3 ASN A 14 -2.866 -23.129 5.139 1.00 41.25 H new ATOM 0 HD21 ASN A 14 -4.132 -23.377 8.457 1.00 44.02 H new ATOM 0 HD22 ASN A 14 -3.334 -24.225 7.128 1.00 44.02 H new ATOM 269 N LEU A 15 0.908 -22.106 4.312 1.00 31.45 N ATOM 270 CA LEU A 15 1.667 -22.324 3.092 1.00 73.54 C ATOM 271 C LEU A 15 2.484 -23.623 3.158 1.00 2.41 C ATOM 272 O LEU A 15 2.880 -24.037 4.253 1.00 64.51 O ATOM 273 CB LEU A 15 2.611 -21.140 2.902 1.00 11.52 C ATOM 274 CG LEU A 15 1.924 -19.784 2.829 1.00 30.33 C ATOM 275 CD1 LEU A 15 2.854 -18.704 3.306 1.00 51.43 C ATOM 276 CD2 LEU A 15 1.482 -19.492 1.410 1.00 63.05 C ATOM 0 H LEU A 15 1.411 -21.560 5.012 1.00 31.45 H new ATOM 0 HA LEU A 15 0.974 -22.412 2.256 1.00 73.54 H new ATOM 0 HB2 LEU A 15 3.325 -21.126 3.725 1.00 11.52 H new ATOM 0 HB3 LEU A 15 3.183 -21.292 1.987 1.00 11.52 H new ATOM 0 HG LEU A 15 1.046 -19.807 3.474 1.00 30.33 H new ATOM 0 HD11 LEU A 15 2.351 -17.739 3.249 1.00 51.43 H new ATOM 0 HD12 LEU A 15 3.143 -18.902 4.338 1.00 51.43 H new ATOM 0 HD13 LEU A 15 3.744 -18.687 2.677 1.00 51.43 H new ATOM 0 HD21 LEU A 15 0.992 -18.519 1.374 1.00 63.05 H new ATOM 0 HD22 LEU A 15 2.351 -19.485 0.752 1.00 63.05 H new ATOM 0 HD23 LEU A 15 0.784 -20.262 1.081 1.00 63.05 H new ATOM 288 N PRO A 16 2.745 -24.285 1.992 1.00 35.22 N ATOM 289 CA PRO A 16 3.643 -25.464 1.913 1.00 23.31 C ATOM 290 C PRO A 16 5.093 -25.164 2.390 1.00 50.14 C ATOM 291 O PRO A 16 5.638 -24.127 2.013 1.00 61.22 O ATOM 292 CB PRO A 16 3.662 -25.810 0.414 1.00 50.13 C ATOM 293 CG PRO A 16 3.119 -24.612 -0.293 1.00 4.14 C ATOM 294 CD PRO A 16 2.163 -23.966 0.662 1.00 21.50 C ATOM 0 HA PRO A 16 3.286 -26.266 2.559 1.00 23.31 H new ATOM 0 HB2 PRO A 16 4.674 -26.035 0.079 1.00 50.13 H new ATOM 0 HB3 PRO A 16 3.055 -26.692 0.210 1.00 50.13 H new ATOM 0 HG2 PRO A 16 3.920 -23.925 -0.568 1.00 4.14 H new ATOM 0 HG3 PRO A 16 2.614 -24.899 -1.216 1.00 4.14 H new ATOM 0 HD2 PRO A 16 2.096 -22.890 0.499 1.00 21.50 H new ATOM 0 HD3 PRO A 16 1.155 -24.368 0.557 1.00 21.50 H new ATOM 302 N SER A 17 5.655 -26.034 3.297 1.00 52.13 N ATOM 303 CA SER A 17 7.095 -26.084 3.709 1.00 3.53 C ATOM 304 C SER A 17 7.547 -24.909 4.604 1.00 71.22 C ATOM 305 O SER A 17 8.681 -24.945 5.092 1.00 13.21 O ATOM 306 CB SER A 17 8.093 -26.262 2.520 1.00 35.00 C ATOM 307 OG SER A 17 8.289 -25.069 1.774 1.00 13.41 O ATOM 0 H SER A 17 5.095 -26.741 3.774 1.00 52.13 H new ATOM 0 HA SER A 17 7.134 -26.988 4.316 1.00 3.53 H new ATOM 0 HB2 SER A 17 9.053 -26.603 2.907 1.00 35.00 H new ATOM 0 HB3 SER A 17 7.722 -27.042 1.855 1.00 35.00 H new ATOM 0 HG SER A 17 7.452 -24.560 1.745 1.00 13.41 H new ATOM 313 N HIS A 18 6.649 -23.914 4.835 1.00 31.14 N ATOM 314 CA HIS A 18 6.945 -22.649 5.546 1.00 70.15 C ATOM 315 C HIS A 18 7.835 -21.729 4.674 1.00 30.04 C ATOM 316 O HIS A 18 8.876 -22.141 4.141 1.00 74.13 O ATOM 317 CB HIS A 18 7.490 -22.899 7.004 1.00 63.40 C ATOM 318 CG HIS A 18 8.768 -22.197 7.419 1.00 41.13 C ATOM 319 ND1 HIS A 18 8.797 -20.901 7.890 1.00 24.14 N ATOM 320 CD2 HIS A 18 10.052 -22.629 7.426 1.00 5.02 C ATOM 321 CE1 HIS A 18 10.046 -20.570 8.168 1.00 53.54 C ATOM 322 NE2 HIS A 18 10.823 -21.599 7.894 1.00 72.53 N ATOM 0 H HIS A 18 5.680 -23.974 4.524 1.00 31.14 H new ATOM 0 HA HIS A 18 6.012 -22.107 5.699 1.00 70.15 H new ATOM 0 HB2 HIS A 18 6.708 -22.610 7.706 1.00 63.40 H new ATOM 0 HB3 HIS A 18 7.645 -23.971 7.123 1.00 63.40 H new ATOM 0 HD2 HIS A 18 10.402 -23.604 7.120 1.00 5.02 H new ATOM 0 HE1 HIS A 18 10.375 -19.617 8.555 1.00 53.54 H new ATOM 0 HE2 HIS A 18 11.836 -21.624 8.012 1.00 72.53 H new ATOM 331 N VAL A 19 7.416 -20.482 4.538 1.00 31.45 N ATOM 332 CA VAL A 19 8.173 -19.509 3.739 1.00 13.13 C ATOM 333 C VAL A 19 9.175 -18.764 4.721 1.00 71.11 C ATOM 334 O VAL A 19 8.739 -18.209 5.741 1.00 73.03 O ATOM 335 CB VAL A 19 7.146 -18.574 2.928 1.00 11.45 C ATOM 336 CG1 VAL A 19 6.114 -19.436 2.185 1.00 4.55 C ATOM 337 CG2 VAL A 19 6.428 -17.520 3.798 1.00 73.15 C ATOM 0 H VAL A 19 6.565 -20.113 4.963 1.00 31.45 H new ATOM 0 HA VAL A 19 8.789 -19.966 2.964 1.00 13.13 H new ATOM 0 HB VAL A 19 7.753 -18.014 2.217 1.00 11.45 H new ATOM 0 HG11 VAL A 19 5.425 -18.790 1.640 1.00 4.55 H new ATOM 0 HG12 VAL A 19 6.627 -20.093 1.483 1.00 4.55 H new ATOM 0 HG13 VAL A 19 5.557 -20.037 2.904 1.00 4.55 H new ATOM 0 HG21 VAL A 19 5.754 -16.932 3.175 1.00 73.15 H new ATOM 0 HG22 VAL A 19 5.856 -18.021 4.579 1.00 73.15 H new ATOM 0 HG23 VAL A 19 7.166 -16.862 4.256 1.00 73.15 H new ATOM 347 N SER A 20 10.536 -18.839 4.497 1.00 41.32 N ATOM 348 CA SER A 20 11.519 -18.247 5.429 1.00 4.51 C ATOM 349 C SER A 20 11.658 -16.721 5.157 1.00 30.13 C ATOM 350 O SER A 20 11.307 -16.295 4.052 1.00 44.01 O ATOM 351 CB SER A 20 12.867 -18.994 5.252 1.00 34.22 C ATOM 352 OG SER A 20 12.642 -20.329 4.825 1.00 64.02 O ATOM 0 H SER A 20 10.952 -19.300 3.688 1.00 41.32 H new ATOM 0 HA SER A 20 11.189 -18.358 6.462 1.00 4.51 H new ATOM 0 HB2 SER A 20 13.486 -18.472 4.522 1.00 34.22 H new ATOM 0 HB3 SER A 20 13.416 -18.995 6.194 1.00 34.22 H new ATOM 0 HG SER A 20 13.502 -20.787 4.716 1.00 64.02 H new ATOM 358 N SER A 21 12.128 -15.877 6.140 1.00 64.42 N ATOM 359 CA SER A 21 12.161 -14.413 5.951 1.00 42.55 C ATOM 360 C SER A 21 12.993 -13.910 4.761 1.00 34.21 C ATOM 361 O SER A 21 12.606 -12.914 4.182 1.00 5.44 O ATOM 362 CB SER A 21 12.600 -13.706 7.238 1.00 2.01 C ATOM 363 OG SER A 21 13.635 -14.413 7.899 1.00 12.35 O ATOM 0 H SER A 21 12.477 -16.194 7.044 1.00 64.42 H new ATOM 0 HA SER A 21 11.132 -14.154 5.704 1.00 42.55 H new ATOM 0 HB2 SER A 21 12.942 -12.698 7.001 1.00 2.01 H new ATOM 0 HB3 SER A 21 11.745 -13.604 7.906 1.00 2.01 H new ATOM 0 HG SER A 21 13.891 -13.932 8.714 1.00 12.35 H new ATOM 369 N ARG A 22 14.119 -14.556 4.394 1.00 43.21 N ATOM 370 CA ARG A 22 14.820 -14.164 3.144 1.00 5.13 C ATOM 371 C ARG A 22 13.977 -14.318 1.814 1.00 0.12 C ATOM 372 O ARG A 22 14.090 -13.457 0.936 1.00 73.21 O ATOM 373 CB ARG A 22 16.271 -14.757 3.041 1.00 50.31 C ATOM 374 CG ARG A 22 16.729 -15.242 1.660 1.00 65.32 C ATOM 375 CD ARG A 22 16.310 -16.687 1.399 1.00 70.41 C ATOM 376 NE ARG A 22 17.453 -17.590 1.407 1.00 2.43 N ATOM 377 CZ ARG A 22 17.425 -18.864 1.002 1.00 2.30 C ATOM 378 NH1 ARG A 22 16.301 -19.422 0.562 1.00 14.12 N ATOM 379 NH2 ARG A 22 18.544 -19.569 1.028 1.00 53.43 N ATOM 0 H ARG A 22 14.551 -15.319 4.915 1.00 43.21 H new ATOM 0 HA ARG A 22 14.938 -13.085 3.239 1.00 5.13 H new ATOM 0 HB2 ARG A 22 16.973 -13.996 3.383 1.00 50.31 H new ATOM 0 HB3 ARG A 22 16.345 -15.594 3.736 1.00 50.31 H new ATOM 0 HG2 ARG A 22 16.307 -14.596 0.890 1.00 65.32 H new ATOM 0 HG3 ARG A 22 17.813 -15.159 1.587 1.00 65.32 H new ATOM 0 HD2 ARG A 22 15.593 -17.001 2.158 1.00 70.41 H new ATOM 0 HD3 ARG A 22 15.803 -16.750 0.436 1.00 70.41 H new ATOM 0 HE ARG A 22 18.342 -17.223 1.747 1.00 2.43 H new ATOM 0 HH11 ARG A 22 15.440 -18.877 0.529 1.00 14.12 H new ATOM 0 HH12 ARG A 22 16.300 -20.395 0.257 1.00 14.12 H new ATOM 0 HH21 ARG A 22 19.410 -19.139 1.353 1.00 53.43 H new ATOM 0 HH22 ARG A 22 18.541 -20.542 0.723 1.00 53.43 H new ATOM 393 N ASP A 23 13.158 -15.388 1.653 1.00 62.24 N ATOM 394 CA ASP A 23 12.312 -15.562 0.446 1.00 73.40 C ATOM 395 C ASP A 23 11.227 -14.450 0.350 1.00 33.01 C ATOM 396 O ASP A 23 11.128 -13.746 -0.713 1.00 52.14 O ATOM 397 CB ASP A 23 11.679 -16.993 0.397 1.00 1.35 C ATOM 398 CG ASP A 23 12.660 -18.076 0.819 1.00 52.41 C ATOM 399 OD1 ASP A 23 13.564 -18.407 0.026 1.00 42.25 O ATOM 400 OD2 ASP A 23 12.537 -18.584 1.957 1.00 21.41 O ATOM 0 H ASP A 23 13.066 -16.138 2.338 1.00 62.24 H new ATOM 0 HA ASP A 23 12.956 -15.462 -0.427 1.00 73.40 H new ATOM 0 HB2 ASP A 23 10.806 -17.024 1.049 1.00 1.35 H new ATOM 0 HB3 ASP A 23 11.329 -17.198 -0.615 1.00 1.35 H new ATOM 405 N VAL A 24 10.466 -14.237 1.477 1.00 53.31 N ATOM 406 CA VAL A 24 9.440 -13.189 1.530 1.00 50.15 C ATOM 407 C VAL A 24 10.044 -11.790 1.369 1.00 52.43 C ATOM 408 O VAL A 24 9.501 -10.984 0.636 1.00 25.11 O ATOM 409 CB VAL A 24 8.476 -13.271 2.766 1.00 50.32 C ATOM 410 CG1 VAL A 24 7.445 -14.369 2.570 1.00 23.53 C ATOM 411 CG2 VAL A 24 9.172 -13.491 4.080 1.00 20.15 C ATOM 0 H VAL A 24 10.558 -14.779 2.336 1.00 53.31 H new ATOM 0 HA VAL A 24 8.801 -13.384 0.669 1.00 50.15 H new ATOM 0 HB VAL A 24 7.999 -12.292 2.817 1.00 50.32 H new ATOM 0 HG11 VAL A 24 6.787 -14.409 3.438 1.00 23.53 H new ATOM 0 HG12 VAL A 24 6.856 -14.160 1.677 1.00 23.53 H new ATOM 0 HG13 VAL A 24 7.951 -15.327 2.454 1.00 23.53 H new ATOM 0 HG21 VAL A 24 8.433 -13.535 4.880 1.00 20.15 H new ATOM 0 HG22 VAL A 24 9.726 -14.429 4.046 1.00 20.15 H new ATOM 0 HG23 VAL A 24 9.862 -12.669 4.268 1.00 20.15 H new ATOM 421 N GLU A 25 11.163 -11.510 2.043 1.00 34.03 N ATOM 422 CA GLU A 25 11.959 -10.298 1.791 1.00 13.53 C ATOM 423 C GLU A 25 12.391 -10.088 0.322 1.00 34.21 C ATOM 424 O GLU A 25 12.192 -8.998 -0.114 1.00 11.30 O ATOM 425 CB GLU A 25 13.152 -10.156 2.785 1.00 44.21 C ATOM 426 CG GLU A 25 14.584 -10.401 2.241 1.00 13.53 C ATOM 427 CD GLU A 25 15.640 -9.753 3.107 1.00 64.00 C ATOM 428 OE1 GLU A 25 15.925 -8.552 2.887 1.00 75.44 O ATOM 429 OE2 GLU A 25 16.189 -10.438 3.991 1.00 55.44 O ATOM 0 H GLU A 25 11.544 -12.110 2.775 1.00 34.03 H new ATOM 0 HA GLU A 25 11.267 -9.479 1.986 1.00 13.53 H new ATOM 0 HB2 GLU A 25 13.121 -9.150 3.203 1.00 44.21 H new ATOM 0 HB3 GLU A 25 12.984 -10.849 3.609 1.00 44.21 H new ATOM 0 HG2 GLU A 25 14.771 -11.473 2.184 1.00 13.53 H new ATOM 0 HG3 GLU A 25 14.658 -10.010 1.226 1.00 13.53 H new ATOM 436 N ASN A 26 12.997 -11.060 -0.429 1.00 4.04 N ATOM 437 CA ASN A 26 13.392 -10.794 -1.855 1.00 51.32 C ATOM 438 C ASN A 26 12.204 -10.621 -2.812 1.00 40.42 C ATOM 439 O ASN A 26 12.091 -9.540 -3.494 1.00 2.51 O ATOM 440 CB ASN A 26 14.331 -11.869 -2.489 1.00 10.44 C ATOM 441 CG ASN A 26 15.759 -11.903 -1.934 1.00 11.24 C ATOM 442 OD1 ASN A 26 15.962 -11.499 -0.691 1.00 40.43 O flip ATOM 443 ND2 ASN A 26 16.686 -12.292 -2.643 1.00 34.42 N flip ATOM 0 H ASN A 26 13.216 -11.997 -0.091 1.00 4.04 H new ATOM 0 HA ASN A 26 13.935 -9.855 -1.754 1.00 51.32 H new ATOM 0 HB2 ASN A 26 13.880 -12.851 -2.346 1.00 10.44 H new ATOM 0 HB3 ASN A 26 14.381 -11.695 -3.564 1.00 10.44 H new ATOM 0 HD21 ASN A 26 16.503 -12.599 -3.599 1.00 34.42 H new ATOM 0 HD22 ASN A 26 17.637 -12.308 -2.275 1.00 34.42 H new ATOM 450 N GLU A 27 11.306 -11.635 -2.880 1.00 2.40 N ATOM 451 CA GLU A 27 10.153 -11.509 -3.775 1.00 64.30 C ATOM 452 C GLU A 27 9.258 -10.306 -3.390 1.00 62.21 C ATOM 453 O GLU A 27 8.945 -9.521 -4.272 1.00 11.31 O ATOM 454 CB GLU A 27 9.367 -12.831 -3.892 1.00 25.11 C ATOM 455 CG GLU A 27 8.829 -13.172 -5.300 1.00 11.14 C ATOM 456 CD GLU A 27 8.636 -14.666 -5.500 1.00 23.51 C ATOM 457 OE1 GLU A 27 9.609 -15.343 -5.891 1.00 54.00 O ATOM 458 OE2 GLU A 27 7.505 -15.153 -5.282 1.00 2.23 O ATOM 0 H GLU A 27 11.359 -12.505 -2.350 1.00 2.40 H new ATOM 0 HA GLU A 27 10.536 -11.298 -4.773 1.00 64.30 H new ATOM 0 HB2 GLU A 27 10.012 -13.646 -3.563 1.00 25.11 H new ATOM 0 HB3 GLU A 27 8.525 -12.793 -3.201 1.00 25.11 H new ATOM 0 HG2 GLU A 27 7.879 -12.661 -5.456 1.00 11.14 H new ATOM 0 HG3 GLU A 27 9.522 -12.794 -6.052 1.00 11.14 H new ATOM 465 N PHE A 28 8.931 -10.068 -2.094 1.00 43.23 N ATOM 466 CA PHE A 28 8.111 -8.897 -1.746 1.00 43.54 C ATOM 467 C PHE A 28 8.865 -7.558 -1.810 1.00 22.30 C ATOM 468 O PHE A 28 8.201 -6.569 -2.018 1.00 34.12 O ATOM 469 CB PHE A 28 7.365 -9.026 -0.409 1.00 23.15 C ATOM 470 CG PHE A 28 6.203 -9.985 -0.437 1.00 2.02 C ATOM 471 CD1 PHE A 28 5.043 -9.677 -1.140 1.00 31.14 C ATOM 472 CD2 PHE A 28 6.252 -11.191 0.249 1.00 62.33 C ATOM 473 CE1 PHE A 28 3.976 -10.547 -1.150 1.00 42.42 C ATOM 474 CE2 PHE A 28 5.173 -12.062 0.230 1.00 52.11 C ATOM 475 CZ PHE A 28 4.042 -11.737 -0.466 1.00 31.40 C ATOM 0 H PHE A 28 9.213 -10.651 -1.306 1.00 43.23 H new ATOM 0 HA PHE A 28 7.361 -8.885 -2.536 1.00 43.54 H new ATOM 0 HB2 PHE A 28 8.070 -9.350 0.357 1.00 23.15 H new ATOM 0 HB3 PHE A 28 7.002 -8.042 -0.113 1.00 23.15 H new ATOM 0 HD1 PHE A 28 4.979 -8.746 -1.684 1.00 31.14 H new ATOM 0 HD2 PHE A 28 7.141 -11.454 0.804 1.00 62.33 H new ATOM 0 HE1 PHE A 28 3.081 -10.293 -1.699 1.00 42.42 H new ATOM 0 HE2 PHE A 28 5.226 -12.998 0.766 1.00 52.11 H new ATOM 0 HZ PHE A 28 3.201 -12.415 -0.478 1.00 31.40 H new ATOM 485 N ARG A 29 10.208 -7.491 -1.590 1.00 43.20 N ATOM 486 CA ARG A 29 10.982 -6.245 -2.011 1.00 32.05 C ATOM 487 C ARG A 29 10.867 -5.908 -3.490 1.00 44.23 C ATOM 488 O ARG A 29 10.868 -4.698 -3.781 1.00 33.23 O ATOM 489 CB ARG A 29 12.496 -6.038 -1.568 1.00 54.31 C ATOM 490 CG ARG A 29 13.543 -7.074 -1.981 1.00 33.24 C ATOM 491 CD ARG A 29 14.426 -6.718 -3.197 1.00 60.41 C ATOM 492 NE ARG A 29 13.831 -5.807 -4.170 1.00 3.50 N ATOM 493 CZ ARG A 29 14.465 -4.814 -4.786 1.00 21.34 C ATOM 494 NH1 ARG A 29 15.751 -4.561 -4.550 1.00 74.33 N ATOM 495 NH2 ARG A 29 13.791 -4.060 -5.632 1.00 4.31 N ATOM 0 H ARG A 29 10.766 -8.225 -1.153 1.00 43.20 H new ATOM 0 HA ARG A 29 10.428 -5.547 -1.383 1.00 32.05 H new ATOM 0 HB2 ARG A 29 12.821 -5.072 -1.953 1.00 54.31 H new ATOM 0 HB3 ARG A 29 12.513 -5.970 -0.480 1.00 54.31 H new ATOM 0 HG2 ARG A 29 14.196 -7.257 -1.128 1.00 33.24 H new ATOM 0 HG3 ARG A 29 13.029 -8.011 -2.196 1.00 33.24 H new ATOM 0 HD2 ARG A 29 15.352 -6.275 -2.832 1.00 60.41 H new ATOM 0 HD3 ARG A 29 14.695 -7.642 -3.710 1.00 60.41 H new ATOM 0 HE ARG A 29 12.846 -5.944 -4.396 1.00 3.50 H new ATOM 0 HH11 ARG A 29 16.270 -5.134 -3.885 1.00 74.33 H new ATOM 0 HH12 ARG A 29 16.217 -3.794 -5.034 1.00 74.33 H new ATOM 0 HH21 ARG A 29 12.802 -4.244 -5.803 1.00 4.31 H new ATOM 0 HH22 ARG A 29 14.258 -3.293 -6.115 1.00 4.31 H new ATOM 509 N LYS A 30 10.844 -6.888 -4.463 1.00 45.55 N ATOM 510 CA LYS A 30 10.446 -6.442 -5.848 1.00 1.30 C ATOM 511 C LYS A 30 9.072 -5.774 -5.816 1.00 64.30 C ATOM 512 O LYS A 30 8.926 -4.638 -6.279 1.00 4.33 O ATOM 513 CB LYS A 30 10.529 -7.582 -6.975 1.00 52.24 C ATOM 514 CG LYS A 30 9.276 -7.890 -7.901 1.00 32.33 C ATOM 515 CD LYS A 30 8.792 -6.708 -8.769 1.00 60.35 C ATOM 516 CE LYS A 30 7.260 -6.694 -8.912 1.00 60.12 C ATOM 517 NZ LYS A 30 6.773 -7.517 -10.052 1.00 45.33 N ATOM 0 H LYS A 30 11.067 -7.876 -4.340 1.00 45.55 H new ATOM 0 HA LYS A 30 11.196 -5.712 -6.152 1.00 1.30 H new ATOM 0 HB2 LYS A 30 11.360 -7.325 -7.632 1.00 52.24 H new ATOM 0 HB3 LYS A 30 10.795 -8.512 -6.473 1.00 52.24 H new ATOM 0 HG2 LYS A 30 9.526 -8.723 -8.558 1.00 32.33 H new ATOM 0 HG3 LYS A 30 8.450 -8.218 -7.270 1.00 32.33 H new ATOM 0 HD2 LYS A 30 9.124 -5.770 -8.324 1.00 60.35 H new ATOM 0 HD3 LYS A 30 9.249 -6.771 -9.757 1.00 60.35 H new ATOM 0 HE2 LYS A 30 6.811 -7.061 -7.989 1.00 60.12 H new ATOM 0 HE3 LYS A 30 6.923 -5.666 -9.044 1.00 60.12 H new ATOM 0 HZ1 LYS A 30 6.325 -6.900 -10.759 1.00 45.33 H new ATOM 0 HZ2 LYS A 30 7.575 -8.017 -10.487 1.00 45.33 H new ATOM 0 HZ3 LYS A 30 6.078 -8.210 -9.708 1.00 45.33 H new ATOM 531 N TYR A 31 8.135 -6.421 -5.160 1.00 63.32 N ATOM 532 CA TYR A 31 6.733 -6.069 -5.268 1.00 12.15 C ATOM 533 C TYR A 31 6.385 -4.734 -4.531 1.00 11.21 C ATOM 534 O TYR A 31 5.666 -3.938 -5.100 1.00 22.01 O ATOM 535 CB TYR A 31 5.891 -7.306 -4.823 1.00 1.41 C ATOM 536 CG TYR A 31 5.703 -8.418 -5.917 1.00 63.24 C ATOM 537 CD1 TYR A 31 4.835 -8.260 -7.017 1.00 65.45 C ATOM 538 CD2 TYR A 31 6.428 -9.627 -5.867 1.00 3.12 C ATOM 539 CE1 TYR A 31 4.734 -9.242 -8.006 1.00 70.32 C ATOM 540 CE2 TYR A 31 6.296 -10.598 -6.841 1.00 32.24 C ATOM 541 CZ TYR A 31 5.469 -10.389 -7.897 1.00 23.51 C ATOM 542 OH TYR A 31 5.403 -11.322 -8.897 1.00 1.53 O ATOM 0 H TYR A 31 8.321 -7.206 -4.536 1.00 63.32 H new ATOM 0 HA TYR A 31 6.477 -5.843 -6.303 1.00 12.15 H new ATOM 0 HB2 TYR A 31 6.367 -7.754 -3.951 1.00 1.41 H new ATOM 0 HB3 TYR A 31 4.907 -6.960 -4.507 1.00 1.41 H new ATOM 0 HD1 TYR A 31 4.237 -7.364 -7.097 1.00 65.45 H new ATOM 0 HD2 TYR A 31 7.106 -9.799 -5.044 1.00 3.12 H new ATOM 0 HE1 TYR A 31 4.079 -9.095 -8.852 1.00 70.32 H new ATOM 0 HE2 TYR A 31 6.850 -11.522 -6.762 1.00 32.24 H new ATOM 0 HH TYR A 31 4.481 -11.387 -9.223 1.00 1.53 H new ATOM 552 N GLY A 32 6.951 -4.455 -3.346 1.00 55.44 N ATOM 553 CA GLY A 32 6.978 -3.101 -2.804 1.00 35.13 C ATOM 554 C GLY A 32 8.214 -2.894 -1.925 1.00 74.22 C ATOM 555 O GLY A 32 8.941 -3.851 -1.695 1.00 0.33 O ATOM 0 H GLY A 32 7.394 -5.154 -2.750 1.00 55.44 H new ATOM 0 HA2 GLY A 32 6.980 -2.378 -3.619 1.00 35.13 H new ATOM 0 HA3 GLY A 32 6.076 -2.920 -2.220 1.00 35.13 H new ATOM 559 N ASN A 33 8.471 -1.687 -1.391 1.00 74.35 N ATOM 560 CA ASN A 33 9.703 -1.499 -0.611 1.00 2.54 C ATOM 561 C ASN A 33 9.513 -1.957 0.837 1.00 63.41 C ATOM 562 O ASN A 33 8.928 -1.230 1.633 1.00 5.04 O ATOM 563 CB ASN A 33 10.230 -0.054 -0.624 1.00 75.31 C ATOM 564 CG ASN A 33 11.125 0.248 -1.810 1.00 20.31 C ATOM 565 OD1 ASN A 33 11.782 -0.640 -2.354 1.00 4.23 O ATOM 566 ND2 ASN A 33 11.182 1.513 -2.195 1.00 1.14 N ATOM 0 H ASN A 33 7.874 -0.865 -1.479 1.00 74.35 H new ATOM 0 HA ASN A 33 10.452 -2.119 -1.103 1.00 2.54 H new ATOM 0 HB2 ASN A 33 9.384 0.634 -0.632 1.00 75.31 H new ATOM 0 HB3 ASN A 33 10.783 0.132 0.296 1.00 75.31 H new ATOM 0 HD21 ASN A 33 11.787 1.783 -2.970 1.00 1.14 H new ATOM 0 HD22 ASN A 33 10.621 2.217 -1.717 1.00 1.14 H new ATOM 573 N ILE A 34 10.006 -3.164 1.177 1.00 4.43 N ATOM 574 CA ILE A 34 9.860 -3.703 2.562 1.00 64.21 C ATOM 575 C ILE A 34 10.734 -2.926 3.585 1.00 33.23 C ATOM 576 O ILE A 34 11.902 -2.599 3.314 1.00 64.31 O ATOM 577 CB ILE A 34 10.081 -5.292 2.658 1.00 11.24 C ATOM 578 CG1 ILE A 34 10.669 -5.816 4.014 1.00 13.53 C ATOM 579 CG2 ILE A 34 10.904 -5.802 1.509 1.00 31.32 C ATOM 580 CD1 ILE A 34 12.206 -5.775 4.179 1.00 54.02 C ATOM 0 H ILE A 34 10.501 -3.781 0.533 1.00 4.43 H new ATOM 0 HA ILE A 34 8.818 -3.536 2.835 1.00 64.21 H new ATOM 0 HB ILE A 34 9.071 -5.698 2.606 1.00 11.24 H new ATOM 0 HG12 ILE A 34 10.227 -5.233 4.822 1.00 13.53 H new ATOM 0 HG13 ILE A 34 10.342 -6.847 4.148 1.00 13.53 H new ATOM 0 HG21 ILE A 34 11.034 -6.880 1.605 1.00 31.32 H new ATOM 0 HG22 ILE A 34 10.396 -5.580 0.571 1.00 31.32 H new ATOM 0 HG23 ILE A 34 11.880 -5.317 1.517 1.00 31.32 H new ATOM 0 HD11 ILE A 34 12.477 -6.165 5.160 1.00 54.02 H new ATOM 0 HD12 ILE A 34 12.671 -6.385 3.405 1.00 54.02 H new ATOM 0 HD13 ILE A 34 12.554 -4.746 4.089 1.00 54.02 H new ATOM 592 N LEU A 35 10.131 -2.584 4.741 1.00 74.14 N ATOM 593 CA LEU A 35 10.879 -2.003 5.878 1.00 40.13 C ATOM 594 C LEU A 35 11.138 -3.044 6.994 1.00 2.31 C ATOM 595 O LEU A 35 12.111 -2.918 7.748 1.00 74.51 O ATOM 596 CB LEU A 35 10.196 -0.729 6.454 1.00 43.31 C ATOM 597 CG LEU A 35 10.729 0.622 5.917 1.00 11.11 C ATOM 598 CD1 LEU A 35 10.584 0.748 4.405 1.00 50.42 C ATOM 599 CD2 LEU A 35 10.035 1.793 6.602 1.00 4.22 C ATOM 0 H LEU A 35 9.132 -2.699 4.913 1.00 74.14 H new ATOM 0 HA LEU A 35 11.845 -1.697 5.477 1.00 40.13 H new ATOM 0 HB2 LEU A 35 9.128 -0.786 6.244 1.00 43.31 H new ATOM 0 HB3 LEU A 35 10.309 -0.738 7.538 1.00 43.31 H new ATOM 0 HG LEU A 35 11.794 0.647 6.150 1.00 11.11 H new ATOM 0 HD11 LEU A 35 10.973 1.713 4.081 1.00 50.42 H new ATOM 0 HD12 LEU A 35 11.144 -0.050 3.918 1.00 50.42 H new ATOM 0 HD13 LEU A 35 9.531 0.671 4.133 1.00 50.42 H new ATOM 0 HD21 LEU A 35 10.427 2.730 6.207 1.00 4.22 H new ATOM 0 HD22 LEU A 35 8.963 1.741 6.414 1.00 4.22 H new ATOM 0 HD23 LEU A 35 10.218 1.747 7.676 1.00 4.22 H new ATOM 611 N LYS A 36 10.287 -4.086 7.074 1.00 35.55 N ATOM 612 CA LYS A 36 10.333 -5.084 8.176 1.00 73.32 C ATOM 613 C LYS A 36 9.679 -6.413 7.693 1.00 61.43 C ATOM 614 O LYS A 36 8.646 -6.368 7.021 1.00 31.14 O ATOM 615 CB LYS A 36 9.586 -4.501 9.402 1.00 74.43 C ATOM 616 CG LYS A 36 9.905 -5.107 10.775 1.00 42.44 C ATOM 617 CD LYS A 36 9.114 -6.384 11.050 1.00 13.23 C ATOM 618 CE LYS A 36 8.579 -6.426 12.467 1.00 44.44 C ATOM 619 NZ LYS A 36 7.631 -5.314 12.723 1.00 53.24 N ATOM 0 H LYS A 36 9.554 -4.264 6.388 1.00 35.55 H new ATOM 0 HA LYS A 36 11.363 -5.298 8.463 1.00 73.32 H new ATOM 0 HB2 LYS A 36 9.796 -3.432 9.448 1.00 74.43 H new ATOM 0 HB3 LYS A 36 8.516 -4.608 9.227 1.00 74.43 H new ATOM 0 HG2 LYS A 36 10.971 -5.325 10.833 1.00 42.44 H new ATOM 0 HG3 LYS A 36 9.686 -4.374 11.552 1.00 42.44 H new ATOM 0 HD2 LYS A 36 8.284 -6.455 10.347 1.00 13.23 H new ATOM 0 HD3 LYS A 36 9.753 -7.250 10.878 1.00 13.23 H new ATOM 0 HE2 LYS A 36 8.079 -7.379 12.640 1.00 44.44 H new ATOM 0 HE3 LYS A 36 9.408 -6.368 13.172 1.00 44.44 H new ATOM 0 HZ1 LYS A 36 6.752 -5.694 13.130 1.00 53.24 H new ATOM 0 HZ2 LYS A 36 8.058 -4.640 13.390 1.00 53.24 H new ATOM 0 HZ3 LYS A 36 7.417 -4.828 11.829 1.00 53.24 H new ATOM 633 N CYS A 37 10.273 -7.590 8.021 1.00 72.43 N ATOM 634 CA CYS A 37 9.710 -8.884 7.631 1.00 13.34 C ATOM 635 C CYS A 37 9.870 -9.872 8.772 1.00 72.33 C ATOM 636 O CYS A 37 10.992 -10.293 9.068 1.00 1.34 O ATOM 637 CB CYS A 37 10.412 -9.421 6.364 1.00 60.20 C ATOM 638 SG CYS A 37 12.130 -8.875 6.171 1.00 44.31 S ATOM 0 H CYS A 37 11.140 -7.656 8.554 1.00 72.43 H new ATOM 0 HA CYS A 37 8.651 -8.755 7.409 1.00 13.34 H new ATOM 0 HB2 CYS A 37 10.390 -10.511 6.386 1.00 60.20 H new ATOM 0 HB3 CYS A 37 9.844 -9.108 5.488 1.00 60.20 H new ATOM 0 HG CYS A 37 12.806 -9.786 5.536 1.00 44.31 H new ATOM 644 N ASP A 38 8.770 -10.234 9.438 1.00 43.04 N ATOM 645 CA ASP A 38 8.918 -11.227 10.539 1.00 61.15 C ATOM 646 C ASP A 38 8.081 -12.494 10.309 1.00 33.02 C ATOM 647 O ASP A 38 7.007 -12.438 9.746 1.00 10.02 O ATOM 648 CB ASP A 38 8.592 -10.598 11.892 1.00 53.21 C ATOM 649 CG ASP A 38 9.199 -11.373 13.047 1.00 20.22 C ATOM 650 OD1 ASP A 38 10.384 -11.764 12.969 1.00 34.12 O ATOM 651 OD2 ASP A 38 8.480 -11.602 14.024 1.00 60.03 O ATOM 0 H ASP A 38 7.825 -9.892 9.264 1.00 43.04 H new ATOM 0 HA ASP A 38 9.963 -11.536 10.542 1.00 61.15 H new ATOM 0 HB2 ASP A 38 8.960 -9.572 11.912 1.00 53.21 H new ATOM 0 HB3 ASP A 38 7.510 -10.551 12.017 1.00 53.21 H new ATOM 656 N VAL A 39 8.614 -13.653 10.706 1.00 33.01 N ATOM 657 CA VAL A 39 7.914 -14.931 10.535 1.00 22.43 C ATOM 658 C VAL A 39 7.841 -15.689 11.886 1.00 43.34 C ATOM 659 O VAL A 39 8.858 -16.120 12.439 1.00 62.43 O ATOM 660 CB VAL A 39 8.503 -15.790 9.299 1.00 10.20 C ATOM 661 CG1 VAL A 39 10.014 -15.646 9.164 1.00 34.20 C ATOM 662 CG2 VAL A 39 8.248 -17.316 9.313 1.00 45.44 C ATOM 0 H VAL A 39 9.529 -13.733 11.149 1.00 33.01 H new ATOM 0 HA VAL A 39 6.881 -14.737 10.245 1.00 22.43 H new ATOM 0 HB VAL A 39 7.944 -15.354 8.471 1.00 10.20 H new ATOM 0 HG11 VAL A 39 10.362 -16.241 8.320 1.00 34.20 H new ATOM 0 HG12 VAL A 39 10.266 -14.599 8.998 1.00 34.20 H new ATOM 0 HG13 VAL A 39 10.496 -15.995 10.077 1.00 34.20 H new ATOM 0 HG21 VAL A 39 8.696 -17.768 8.428 1.00 45.44 H new ATOM 0 HG22 VAL A 39 8.693 -17.751 10.208 1.00 45.44 H new ATOM 0 HG23 VAL A 39 7.175 -17.506 9.313 1.00 45.44 H new ATOM 672 N LYS A 40 6.622 -15.825 12.413 1.00 0.31 N ATOM 673 CA LYS A 40 6.363 -16.405 13.737 1.00 21.14 C ATOM 674 C LYS A 40 5.594 -17.750 13.557 1.00 52.34 C ATOM 675 O LYS A 40 4.899 -17.889 12.549 1.00 25.41 O ATOM 676 CB LYS A 40 5.563 -15.345 14.507 1.00 43.52 C ATOM 677 CG LYS A 40 6.402 -14.128 14.905 1.00 13.10 C ATOM 678 CD LYS A 40 5.714 -13.369 16.036 1.00 70.22 C ATOM 679 CE LYS A 40 6.410 -12.074 16.447 1.00 73.23 C ATOM 680 NZ LYS A 40 7.863 -12.245 16.712 1.00 52.20 N ATOM 0 H LYS A 40 5.774 -15.532 11.927 1.00 0.31 H new ATOM 0 HA LYS A 40 7.268 -16.646 14.294 1.00 21.14 H new ATOM 0 HB2 LYS A 40 4.725 -15.015 13.894 1.00 43.52 H new ATOM 0 HB3 LYS A 40 5.142 -15.798 15.405 1.00 43.52 H new ATOM 0 HG2 LYS A 40 7.395 -14.448 15.221 1.00 13.10 H new ATOM 0 HG3 LYS A 40 6.537 -13.472 14.045 1.00 13.10 H new ATOM 0 HD2 LYS A 40 4.693 -13.137 15.732 1.00 70.22 H new ATOM 0 HD3 LYS A 40 5.647 -14.022 16.906 1.00 70.22 H new ATOM 0 HE2 LYS A 40 6.276 -11.332 15.660 1.00 73.23 H new ATOM 0 HE3 LYS A 40 5.929 -11.679 17.342 1.00 73.23 H new ATOM 0 HZ1 LYS A 40 8.158 -11.590 17.464 1.00 52.20 H new ATOM 0 HZ2 LYS A 40 8.048 -13.223 17.012 1.00 52.20 H new ATOM 0 HZ3 LYS A 40 8.400 -12.041 15.845 1.00 52.20 H new ATOM 694 N LYS A 41 5.689 -18.762 14.473 1.00 62.51 N ATOM 695 CA LYS A 41 5.034 -20.057 14.165 1.00 40.20 C ATOM 696 C LYS A 41 4.108 -20.458 15.360 1.00 11.10 C ATOM 697 O LYS A 41 4.408 -20.071 16.495 1.00 1.04 O ATOM 698 CB LYS A 41 6.097 -21.196 13.738 1.00 70.51 C ATOM 699 CG LYS A 41 6.676 -22.093 14.859 1.00 53.42 C ATOM 700 CD LYS A 41 7.372 -21.302 15.970 1.00 22.34 C ATOM 701 CE LYS A 41 8.529 -20.453 15.450 1.00 22.13 C ATOM 702 NZ LYS A 41 9.576 -20.229 16.472 1.00 2.43 N ATOM 0 H LYS A 41 6.178 -18.710 15.367 1.00 62.51 H new ATOM 0 HA LYS A 41 4.402 -19.947 13.284 1.00 40.20 H new ATOM 0 HB2 LYS A 41 5.618 -21.843 13.003 1.00 70.51 H new ATOM 0 HB3 LYS A 41 6.931 -20.706 13.236 1.00 70.51 H new ATOM 0 HG2 LYS A 41 5.870 -22.684 15.294 1.00 53.42 H new ATOM 0 HG3 LYS A 41 7.387 -22.795 14.422 1.00 53.42 H new ATOM 0 HD2 LYS A 41 6.644 -20.656 16.461 1.00 22.34 H new ATOM 0 HD3 LYS A 41 7.745 -21.994 16.725 1.00 22.34 H new ATOM 0 HE2 LYS A 41 8.972 -20.942 14.583 1.00 22.13 H new ATOM 0 HE3 LYS A 41 8.145 -19.491 15.112 1.00 22.13 H new ATOM 0 HZ1 LYS A 41 10.337 -19.648 16.067 1.00 2.43 H new ATOM 0 HZ2 LYS A 41 9.163 -19.738 17.290 1.00 2.43 H new ATOM 0 HZ3 LYS A 41 9.964 -21.144 16.777 1.00 2.43 H new ATOM 716 N THR A 42 2.954 -21.149 15.147 1.00 31.23 N ATOM 717 CA THR A 42 2.172 -21.598 16.297 1.00 2.13 C ATOM 718 C THR A 42 2.453 -23.102 16.625 1.00 60.42 C ATOM 719 O THR A 42 3.179 -23.770 15.879 1.00 35.02 O ATOM 720 CB THR A 42 0.626 -21.336 16.120 1.00 30.15 C ATOM 721 OG1 THR A 42 -0.052 -21.428 17.382 1.00 1.52 O ATOM 722 CG2 THR A 42 -0.057 -22.301 15.135 1.00 72.11 C ATOM 0 H THR A 42 2.572 -21.390 14.232 1.00 31.23 H new ATOM 0 HA THR A 42 2.498 -20.997 17.146 1.00 2.13 H new ATOM 0 HB THR A 42 0.551 -20.330 15.708 1.00 30.15 H new ATOM 0 HG1 THR A 42 -1.009 -21.261 17.252 1.00 1.52 H new ATOM 0 HG21 THR A 42 -1.118 -22.059 15.065 1.00 72.11 H new ATOM 0 HG22 THR A 42 0.403 -22.203 14.152 1.00 72.11 H new ATOM 0 HG23 THR A 42 0.059 -23.325 15.489 1.00 72.11 H new ATOM 730 N VAL A 43 1.859 -23.631 17.732 1.00 53.21 N ATOM 731 CA VAL A 43 2.066 -25.025 18.182 1.00 14.13 C ATOM 732 C VAL A 43 1.245 -26.045 17.332 1.00 30.32 C ATOM 733 O VAL A 43 1.450 -27.258 17.438 1.00 52.24 O ATOM 734 CB VAL A 43 1.750 -25.203 19.723 1.00 23.23 C ATOM 735 CG1 VAL A 43 2.570 -26.339 20.311 1.00 71.32 C ATOM 736 CG2 VAL A 43 1.987 -23.922 20.545 1.00 71.04 C ATOM 0 H VAL A 43 1.227 -23.100 18.331 1.00 53.21 H new ATOM 0 HA VAL A 43 3.124 -25.241 18.030 1.00 14.13 H new ATOM 0 HB VAL A 43 0.687 -25.437 19.786 1.00 23.23 H new ATOM 0 HG11 VAL A 43 2.338 -26.445 21.371 1.00 71.32 H new ATOM 0 HG12 VAL A 43 2.330 -27.267 19.793 1.00 71.32 H new ATOM 0 HG13 VAL A 43 3.631 -26.121 20.192 1.00 71.32 H new ATOM 0 HG21 VAL A 43 1.752 -24.113 21.592 1.00 71.04 H new ATOM 0 HG22 VAL A 43 3.031 -23.621 20.457 1.00 71.04 H new ATOM 0 HG23 VAL A 43 1.346 -23.124 20.169 1.00 71.04 H new ATOM 746 N SER A 44 0.342 -25.551 16.461 1.00 12.42 N ATOM 747 CA SER A 44 -0.539 -26.405 15.649 1.00 44.11 C ATOM 748 C SER A 44 0.166 -26.832 14.340 1.00 4.33 C ATOM 749 O SER A 44 -0.395 -27.579 13.533 1.00 20.15 O ATOM 750 CB SER A 44 -1.849 -25.643 15.324 1.00 54.03 C ATOM 751 OG SER A 44 -2.861 -26.509 14.847 1.00 20.34 O ATOM 0 H SER A 44 0.206 -24.553 16.303 1.00 12.42 H new ATOM 0 HA SER A 44 -0.775 -27.304 16.218 1.00 44.11 H new ATOM 0 HB2 SER A 44 -2.202 -25.131 16.219 1.00 54.03 H new ATOM 0 HB3 SER A 44 -1.646 -24.876 14.577 1.00 54.03 H new ATOM 0 HG SER A 44 -2.470 -27.156 14.223 1.00 20.34 H new ATOM 757 N GLY A 45 1.409 -26.363 14.151 1.00 52.23 N ATOM 758 CA GLY A 45 2.172 -26.652 12.936 1.00 44.44 C ATOM 759 C GLY A 45 1.863 -25.737 11.744 1.00 21.43 C ATOM 760 O GLY A 45 2.558 -25.808 10.730 1.00 12.14 O ATOM 0 H GLY A 45 1.904 -25.782 14.827 1.00 52.23 H new ATOM 0 HA2 GLY A 45 3.235 -26.578 13.166 1.00 44.44 H new ATOM 0 HA3 GLY A 45 1.981 -27.684 12.642 1.00 44.44 H new ATOM 764 N ALA A 46 0.840 -24.879 11.865 1.00 73.32 N ATOM 765 CA ALA A 46 0.595 -23.821 10.879 1.00 22.13 C ATOM 766 C ALA A 46 1.586 -22.654 11.135 1.00 4.01 C ATOM 767 O ALA A 46 1.758 -22.218 12.277 1.00 50.20 O ATOM 768 CB ALA A 46 -0.882 -23.362 10.920 1.00 13.12 C ATOM 0 H ALA A 46 0.171 -24.898 12.635 1.00 73.32 H new ATOM 0 HA ALA A 46 0.769 -24.202 9.873 1.00 22.13 H new ATOM 0 HB1 ALA A 46 -1.040 -22.577 10.180 1.00 13.12 H new ATOM 0 HB2 ALA A 46 -1.532 -24.208 10.696 1.00 13.12 H new ATOM 0 HB3 ALA A 46 -1.116 -22.977 11.913 1.00 13.12 H new ATOM 774 N ALA A 47 2.244 -22.161 10.077 1.00 3.34 N ATOM 775 CA ALA A 47 3.341 -21.185 10.223 1.00 45.44 C ATOM 776 C ALA A 47 2.944 -19.875 9.519 1.00 33.52 C ATOM 777 O ALA A 47 2.260 -19.939 8.494 1.00 51.21 O ATOM 778 CB ALA A 47 4.675 -21.773 9.706 1.00 13.33 C ATOM 0 H ALA A 47 2.039 -22.419 9.112 1.00 3.34 H new ATOM 0 HA ALA A 47 3.505 -20.960 11.277 1.00 45.44 H new ATOM 0 HB1 ALA A 47 5.468 -21.035 9.824 1.00 13.33 H new ATOM 0 HB2 ALA A 47 4.924 -22.668 10.277 1.00 13.33 H new ATOM 0 HB3 ALA A 47 4.574 -22.032 8.652 1.00 13.33 H new ATOM 784 N PHE A 48 3.346 -18.680 10.036 1.00 5.21 N ATOM 785 CA PHE A 48 2.787 -17.432 9.494 1.00 45.43 C ATOM 786 C PHE A 48 3.882 -16.448 9.074 1.00 33.40 C ATOM 787 O PHE A 48 4.971 -16.447 9.654 1.00 55.14 O ATOM 788 CB PHE A 48 1.972 -16.736 10.596 1.00 4.12 C ATOM 789 CG PHE A 48 1.039 -17.639 11.318 1.00 65.12 C ATOM 790 CD1 PHE A 48 -0.151 -18.021 10.744 1.00 40.11 C ATOM 791 CD2 PHE A 48 1.366 -18.105 12.571 1.00 13.12 C ATOM 792 CE1 PHE A 48 -1.008 -18.849 11.412 1.00 42.01 C ATOM 793 CE2 PHE A 48 0.526 -18.915 13.242 1.00 74.53 C ATOM 794 CZ PHE A 48 -0.671 -19.310 12.671 1.00 70.31 C ATOM 0 H PHE A 48 4.023 -18.566 10.791 1.00 5.21 H new ATOM 0 HA PHE A 48 2.182 -17.696 8.626 1.00 45.43 H new ATOM 0 HB2 PHE A 48 2.659 -16.290 11.315 1.00 4.12 H new ATOM 0 HB3 PHE A 48 1.401 -15.920 10.152 1.00 4.12 H new ATOM 0 HD1 PHE A 48 -0.410 -17.664 9.758 1.00 40.11 H new ATOM 0 HD2 PHE A 48 2.305 -17.818 13.020 1.00 13.12 H new ATOM 0 HE1 PHE A 48 -1.944 -19.142 10.959 1.00 42.01 H new ATOM 0 HE2 PHE A 48 0.788 -19.259 14.232 1.00 74.53 H new ATOM 0 HZ PHE A 48 -1.336 -19.973 13.204 1.00 70.31 H new ATOM 804 N ALA A 49 3.589 -15.592 8.071 1.00 70.05 N ATOM 805 CA ALA A 49 4.537 -14.545 7.661 1.00 61.03 C ATOM 806 C ALA A 49 3.889 -13.176 7.638 1.00 22.33 C ATOM 807 O ALA A 49 2.699 -13.028 7.359 1.00 21.31 O ATOM 808 CB ALA A 49 5.324 -14.873 6.364 1.00 34.03 C ATOM 0 H ALA A 49 2.718 -15.607 7.541 1.00 70.05 H new ATOM 0 HA ALA A 49 5.303 -14.519 8.436 1.00 61.03 H new ATOM 0 HB1 ALA A 49 6.001 -14.051 6.131 1.00 34.03 H new ATOM 0 HB2 ALA A 49 5.900 -15.787 6.509 1.00 34.03 H new ATOM 0 HB3 ALA A 49 4.625 -15.012 5.539 1.00 34.03 H new ATOM 814 N PHE A 50 4.705 -12.178 7.961 1.00 0.33 N ATOM 815 CA PHE A 50 4.248 -10.862 8.312 1.00 13.02 C ATOM 816 C PHE A 50 5.117 -9.900 7.499 1.00 65.12 C ATOM 817 O PHE A 50 6.342 -9.816 7.762 1.00 73.33 O ATOM 818 CB PHE A 50 4.452 -10.674 9.843 1.00 43.31 C ATOM 819 CG PHE A 50 3.857 -9.441 10.454 1.00 51.12 C ATOM 820 CD1 PHE A 50 2.529 -9.423 10.844 1.00 51.54 C ATOM 821 CD2 PHE A 50 4.637 -8.317 10.682 1.00 3.41 C ATOM 822 CE1 PHE A 50 1.992 -8.313 11.461 1.00 3.32 C ATOM 823 CE2 PHE A 50 4.103 -7.200 11.292 1.00 72.24 C ATOM 824 CZ PHE A 50 2.779 -7.198 11.682 1.00 23.23 C ATOM 0 H PHE A 50 5.720 -12.276 7.983 1.00 0.33 H new ATOM 0 HA PHE A 50 3.194 -10.689 8.096 1.00 13.02 H new ATOM 0 HB2 PHE A 50 4.033 -11.542 10.351 1.00 43.31 H new ATOM 0 HB3 PHE A 50 5.523 -10.672 10.046 1.00 43.31 H new ATOM 0 HD1 PHE A 50 1.907 -10.287 10.663 1.00 51.54 H new ATOM 0 HD2 PHE A 50 5.674 -8.316 10.379 1.00 3.41 H new ATOM 0 HE1 PHE A 50 0.958 -8.315 11.771 1.00 3.32 H new ATOM 0 HE2 PHE A 50 4.719 -6.330 11.464 1.00 72.24 H new ATOM 0 HZ PHE A 50 2.358 -6.326 12.160 1.00 23.23 H new ATOM 834 N ILE A 51 4.532 -9.160 6.526 1.00 70.30 N ATOM 835 CA ILE A 51 5.419 -8.385 5.594 1.00 23.10 C ATOM 836 C ILE A 51 4.985 -6.947 5.594 1.00 70.20 C ATOM 837 O ILE A 51 3.950 -6.603 5.022 1.00 60.24 O ATOM 838 CB ILE A 51 5.505 -8.879 4.074 1.00 54.03 C ATOM 839 CG1 ILE A 51 5.612 -10.430 3.896 1.00 73.15 C ATOM 840 CG2 ILE A 51 6.745 -8.256 3.431 1.00 11.12 C ATOM 841 CD1 ILE A 51 4.370 -11.226 4.271 1.00 72.33 C ATOM 0 H ILE A 51 3.529 -9.077 6.362 1.00 70.30 H new ATOM 0 HA ILE A 51 6.420 -8.546 5.993 1.00 23.10 H new ATOM 0 HB ILE A 51 4.572 -8.568 3.604 1.00 54.03 H new ATOM 0 HG12 ILE A 51 5.856 -10.642 2.855 1.00 73.15 H new ATOM 0 HG13 ILE A 51 6.447 -10.789 4.498 1.00 73.15 H new ATOM 0 HG21 ILE A 51 6.820 -8.582 2.394 1.00 11.12 H new ATOM 0 HG22 ILE A 51 6.665 -7.169 3.465 1.00 11.12 H new ATOM 0 HG23 ILE A 51 7.635 -8.572 3.976 1.00 11.12 H new ATOM 0 HD11 ILE A 51 4.556 -12.288 4.109 1.00 72.33 H new ATOM 0 HD12 ILE A 51 4.132 -11.056 5.321 1.00 72.33 H new ATOM 0 HD13 ILE A 51 3.532 -10.905 3.652 1.00 72.33 H new ATOM 853 N GLU A 52 5.818 -6.121 6.195 1.00 23.33 N ATOM 854 CA GLU A 52 5.508 -4.713 6.409 1.00 53.22 C ATOM 855 C GLU A 52 6.331 -3.830 5.439 1.00 13.12 C ATOM 856 O GLU A 52 7.551 -3.724 5.574 1.00 72.43 O ATOM 857 CB GLU A 52 5.758 -4.369 7.898 1.00 42.51 C ATOM 858 CG GLU A 52 5.807 -2.879 8.220 1.00 64.24 C ATOM 859 CD GLU A 52 6.678 -2.582 9.424 1.00 54.42 C ATOM 860 OE1 GLU A 52 6.398 -3.116 10.526 1.00 24.51 O ATOM 861 OE2 GLU A 52 7.650 -1.817 9.268 1.00 1.14 O ATOM 0 H GLU A 52 6.731 -6.403 6.551 1.00 23.33 H new ATOM 0 HA GLU A 52 4.459 -4.512 6.191 1.00 53.22 H new ATOM 0 HB2 GLU A 52 4.972 -4.828 8.498 1.00 42.51 H new ATOM 0 HB3 GLU A 52 6.700 -4.822 8.206 1.00 42.51 H new ATOM 0 HG2 GLU A 52 6.187 -2.335 7.356 1.00 64.24 H new ATOM 0 HG3 GLU A 52 4.796 -2.516 8.406 1.00 64.24 H new ATOM 868 N PHE A 53 5.662 -3.283 4.408 1.00 25.50 N ATOM 869 CA PHE A 53 6.321 -2.443 3.385 1.00 71.44 C ATOM 870 C PHE A 53 5.854 -0.963 3.431 1.00 12.02 C ATOM 871 O PHE A 53 4.707 -0.717 3.802 1.00 71.34 O ATOM 872 CB PHE A 53 6.139 -3.092 1.962 1.00 62.13 C ATOM 873 CG PHE A 53 4.882 -3.906 1.746 1.00 11.00 C ATOM 874 CD1 PHE A 53 3.634 -3.366 2.013 1.00 5.54 C ATOM 875 CD2 PHE A 53 4.958 -5.209 1.253 1.00 63.35 C ATOM 876 CE1 PHE A 53 2.498 -4.095 1.811 1.00 23.03 C ATOM 877 CE2 PHE A 53 3.816 -5.943 1.048 1.00 54.11 C ATOM 878 CZ PHE A 53 2.585 -5.376 1.325 1.00 74.21 C ATOM 0 H PHE A 53 4.661 -3.407 4.259 1.00 25.50 H new ATOM 0 HA PHE A 53 7.387 -2.410 3.610 1.00 71.44 H new ATOM 0 HB2 PHE A 53 6.161 -2.295 1.218 1.00 62.13 H new ATOM 0 HB3 PHE A 53 6.998 -3.734 1.767 1.00 62.13 H new ATOM 0 HD1 PHE A 53 3.559 -2.355 2.386 1.00 5.54 H new ATOM 0 HD2 PHE A 53 5.922 -5.643 1.031 1.00 63.35 H new ATOM 0 HE1 PHE A 53 1.533 -3.665 2.033 1.00 23.03 H new ATOM 0 HE2 PHE A 53 3.878 -6.954 0.674 1.00 54.11 H new ATOM 0 HZ PHE A 53 1.684 -5.947 1.157 1.00 74.21 H new ATOM 888 N GLU A 54 6.761 0.025 3.110 1.00 72.25 N ATOM 889 CA GLU A 54 6.334 1.439 2.835 1.00 44.01 C ATOM 890 C GLU A 54 5.304 1.592 1.685 1.00 42.44 C ATOM 891 O GLU A 54 4.556 2.574 1.675 1.00 64.23 O ATOM 892 CB GLU A 54 7.534 2.396 2.554 1.00 13.13 C ATOM 893 CG GLU A 54 8.045 2.449 1.091 1.00 25.23 C ATOM 894 CD GLU A 54 9.299 3.297 0.916 1.00 1.14 C ATOM 895 OE1 GLU A 54 9.996 3.576 1.921 1.00 50.34 O ATOM 896 OE2 GLU A 54 9.604 3.675 -0.239 1.00 12.33 O ATOM 0 H GLU A 54 7.767 -0.130 3.038 1.00 72.25 H new ATOM 0 HA GLU A 54 5.844 1.728 3.765 1.00 44.01 H new ATOM 0 HB2 GLU A 54 7.244 3.404 2.852 1.00 13.13 H new ATOM 0 HB3 GLU A 54 8.364 2.101 3.195 1.00 13.13 H new ATOM 0 HG2 GLU A 54 8.251 1.435 0.749 1.00 25.23 H new ATOM 0 HG3 GLU A 54 7.256 2.846 0.453 1.00 25.23 H new ATOM 903 N ASP A 55 5.230 0.648 0.729 1.00 74.34 N ATOM 904 CA ASP A 55 4.277 0.816 -0.367 1.00 1.31 C ATOM 905 C ASP A 55 3.216 -0.272 -0.273 1.00 34.03 C ATOM 906 O ASP A 55 3.519 -1.448 -0.490 1.00 42.50 O ATOM 907 CB ASP A 55 4.985 0.653 -1.737 1.00 13.41 C ATOM 908 CG ASP A 55 6.051 1.692 -2.013 1.00 14.44 C ATOM 909 OD1 ASP A 55 5.688 2.851 -2.322 1.00 71.24 O ATOM 910 OD2 ASP A 55 7.242 1.330 -1.988 1.00 21.24 O ATOM 0 H ASP A 55 5.794 -0.201 0.696 1.00 74.34 H new ATOM 0 HA ASP A 55 3.839 1.811 -0.290 1.00 1.31 H new ATOM 0 HB2 ASP A 55 5.438 -0.337 -1.783 1.00 13.41 H new ATOM 0 HB3 ASP A 55 4.236 0.698 -2.528 1.00 13.41 H new ATOM 915 N ALA A 56 1.960 0.110 0.011 1.00 5.42 N ATOM 916 CA ALA A 56 0.864 -0.850 -0.050 1.00 70.23 C ATOM 917 C ALA A 56 0.359 -1.196 -1.478 1.00 72.43 C ATOM 918 O ALA A 56 0.140 -2.382 -1.740 1.00 34.20 O ATOM 919 CB ALA A 56 -0.277 -0.458 0.900 1.00 32.30 C ATOM 0 H ALA A 56 1.689 1.056 0.279 1.00 5.42 H new ATOM 0 HA ALA A 56 1.294 -1.788 0.301 1.00 70.23 H new ATOM 0 HB1 ALA A 56 -1.078 -1.194 0.830 1.00 32.30 H new ATOM 0 HB2 ALA A 56 0.097 -0.425 1.923 1.00 32.30 H new ATOM 0 HB3 ALA A 56 -0.661 0.523 0.622 1.00 32.30 H new ATOM 925 N ARG A 57 0.169 -0.216 -2.420 1.00 63.55 N ATOM 926 CA ARG A 57 -0.569 -0.563 -3.666 1.00 31.34 C ATOM 927 C ARG A 57 0.264 -1.359 -4.726 1.00 31.34 C ATOM 928 O ARG A 57 -0.337 -2.114 -5.488 1.00 0.40 O ATOM 929 CB ARG A 57 -1.392 0.603 -4.337 1.00 30.25 C ATOM 930 CG ARG A 57 -0.639 1.564 -5.289 1.00 75.35 C ATOM 931 CD ARG A 57 0.358 2.524 -4.614 1.00 12.41 C ATOM 932 NE ARG A 57 1.737 2.201 -4.966 1.00 32.14 N ATOM 933 CZ ARG A 57 2.816 2.548 -4.266 1.00 31.51 C ATOM 934 NH1 ARG A 57 2.713 3.251 -3.140 1.00 15.41 N ATOM 935 NH2 ARG A 57 4.018 2.211 -4.717 1.00 1.21 N ATOM 0 H ARG A 57 0.492 0.749 -2.347 1.00 63.55 H new ATOM 0 HA ARG A 57 -1.318 -1.250 -3.272 1.00 31.34 H new ATOM 0 HB2 ARG A 57 -2.214 0.154 -4.895 1.00 30.25 H new ATOM 0 HB3 ARG A 57 -1.836 1.200 -3.541 1.00 30.25 H new ATOM 0 HG2 ARG A 57 -0.100 0.968 -6.026 1.00 75.35 H new ATOM 0 HG3 ARG A 57 -1.374 2.156 -5.834 1.00 75.35 H new ATOM 0 HD2 ARG A 57 0.136 3.549 -4.912 1.00 12.41 H new ATOM 0 HD3 ARG A 57 0.237 2.474 -3.532 1.00 12.41 H new ATOM 0 HE ARG A 57 1.887 1.664 -5.820 1.00 32.14 H new ATOM 0 HH11 ARG A 57 1.795 3.534 -2.798 1.00 15.41 H new ATOM 0 HH12 ARG A 57 3.552 3.506 -2.619 1.00 15.41 H new ATOM 0 HH21 ARG A 57 4.108 1.692 -5.591 1.00 1.21 H new ATOM 0 HH22 ARG A 57 4.852 2.471 -4.190 1.00 1.21 H new ATOM 949 N ASP A 58 1.618 -1.202 -4.827 1.00 21.33 N ATOM 950 CA ASP A 58 2.397 -2.031 -5.802 1.00 74.43 C ATOM 951 C ASP A 58 2.597 -3.554 -5.426 1.00 11.33 C ATOM 952 O ASP A 58 2.683 -4.382 -6.334 1.00 22.11 O ATOM 953 CB ASP A 58 3.745 -1.362 -6.197 1.00 11.01 C ATOM 954 CG ASP A 58 3.570 -0.336 -7.302 1.00 1.24 C ATOM 955 OD1 ASP A 58 2.849 0.661 -7.088 1.00 72.21 O ATOM 956 OD2 ASP A 58 4.151 -0.519 -8.383 1.00 14.13 O ATOM 0 H ASP A 58 2.171 -0.545 -4.277 1.00 21.33 H new ATOM 0 HA ASP A 58 1.746 -2.059 -6.676 1.00 74.43 H new ATOM 0 HB2 ASP A 58 4.181 -0.881 -5.321 1.00 11.01 H new ATOM 0 HB3 ASP A 58 4.448 -2.129 -6.522 1.00 11.01 H new ATOM 961 N ALA A 59 2.658 -3.939 -4.120 1.00 41.04 N ATOM 962 CA ALA A 59 2.827 -5.331 -3.670 1.00 44.13 C ATOM 963 C ALA A 59 1.510 -6.187 -3.881 1.00 31.15 C ATOM 964 O ALA A 59 1.489 -7.449 -3.812 1.00 14.11 O ATOM 965 CB ALA A 59 3.395 -5.353 -2.243 1.00 21.54 C ATOM 0 H ALA A 59 2.589 -3.275 -3.349 1.00 41.04 H new ATOM 0 HA ALA A 59 3.564 -5.831 -4.298 1.00 44.13 H new ATOM 0 HB1 ALA A 59 3.518 -6.386 -1.916 1.00 21.54 H new ATOM 0 HB2 ALA A 59 4.362 -4.851 -2.229 1.00 21.54 H new ATOM 0 HB3 ALA A 59 2.709 -4.839 -1.570 1.00 21.54 H new ATOM 971 N ALA A 60 0.393 -5.450 -4.028 1.00 30.43 N ATOM 972 CA ALA A 60 -0.931 -5.982 -4.432 1.00 14.34 C ATOM 973 C ALA A 60 -0.895 -6.918 -5.695 1.00 33.04 C ATOM 974 O ALA A 60 -1.745 -7.815 -5.753 1.00 35.42 O ATOM 975 CB ALA A 60 -1.946 -4.810 -4.617 1.00 3.03 C ATOM 0 H ALA A 60 0.381 -4.443 -3.866 1.00 30.43 H new ATOM 0 HA ALA A 60 -1.264 -6.626 -3.618 1.00 14.34 H new ATOM 0 HB1 ALA A 60 -2.915 -5.211 -4.914 1.00 3.03 H new ATOM 0 HB2 ALA A 60 -2.050 -4.267 -3.678 1.00 3.03 H new ATOM 0 HB3 ALA A 60 -1.582 -4.132 -5.389 1.00 3.03 H new ATOM 981 N ASP A 61 0.069 -6.745 -6.693 1.00 33.23 N ATOM 982 CA ASP A 61 0.350 -7.818 -7.713 1.00 33.11 C ATOM 983 C ASP A 61 0.625 -9.181 -7.042 1.00 2.32 C ATOM 984 O ASP A 61 -0.056 -10.152 -7.334 1.00 61.42 O ATOM 985 CB ASP A 61 1.501 -7.473 -8.683 1.00 62.32 C ATOM 986 CG ASP A 61 1.143 -6.294 -9.562 1.00 31.35 C ATOM 987 OD1 ASP A 61 0.425 -6.504 -10.572 1.00 14.10 O ATOM 988 OD2 ASP A 61 1.542 -5.169 -9.234 1.00 12.11 O ATOM 0 H ASP A 61 0.635 -5.903 -6.799 1.00 33.23 H new ATOM 0 HA ASP A 61 -0.560 -7.883 -8.310 1.00 33.11 H new ATOM 0 HB2 ASP A 61 2.403 -7.245 -8.115 1.00 62.32 H new ATOM 0 HB3 ASP A 61 1.727 -8.339 -9.306 1.00 62.32 H new ATOM 993 N ALA A 62 1.567 -9.255 -6.094 1.00 50.53 N ATOM 994 CA ALA A 62 1.791 -10.518 -5.350 1.00 55.42 C ATOM 995 C ALA A 62 0.619 -10.933 -4.492 1.00 71.41 C ATOM 996 O ALA A 62 0.400 -12.129 -4.365 1.00 55.12 O ATOM 997 CB ALA A 62 3.054 -10.573 -4.480 1.00 72.33 C ATOM 0 H ALA A 62 2.176 -8.483 -5.823 1.00 50.53 H new ATOM 0 HA ALA A 62 1.926 -11.221 -6.172 1.00 55.42 H new ATOM 0 HB1 ALA A 62 3.113 -11.542 -3.985 1.00 72.33 H new ATOM 0 HB2 ALA A 62 3.934 -10.432 -5.107 1.00 72.33 H new ATOM 0 HB3 ALA A 62 3.013 -9.784 -3.729 1.00 72.33 H new ATOM 1003 N ILE A 63 -0.145 -10.012 -3.879 1.00 32.25 N ATOM 1004 CA ILE A 63 -1.241 -10.521 -3.046 1.00 52.24 C ATOM 1005 C ILE A 63 -2.440 -11.108 -3.870 1.00 64.14 C ATOM 1006 O ILE A 63 -3.019 -12.106 -3.436 1.00 60.13 O ATOM 1007 CB ILE A 63 -1.646 -9.532 -1.902 1.00 42.51 C ATOM 1008 CG1 ILE A 63 -1.827 -10.322 -0.576 1.00 71.15 C ATOM 1009 CG2 ILE A 63 -2.878 -8.688 -2.209 1.00 74.22 C ATOM 1010 CD1 ILE A 63 -3.227 -10.363 0.008 1.00 42.13 C ATOM 0 H ILE A 63 -0.040 -8.999 -3.935 1.00 32.25 H new ATOM 0 HA ILE A 63 -0.843 -11.392 -2.525 1.00 52.24 H new ATOM 0 HB ILE A 63 -0.831 -8.814 -1.806 1.00 42.51 H new ATOM 0 HG12 ILE A 63 -1.498 -11.348 -0.744 1.00 71.15 H new ATOM 0 HG13 ILE A 63 -1.160 -9.891 0.170 1.00 71.15 H new ATOM 0 HG21 ILE A 63 -3.089 -8.031 -1.365 1.00 74.22 H new ATOM 0 HG22 ILE A 63 -2.695 -8.087 -3.100 1.00 74.22 H new ATOM 0 HG23 ILE A 63 -3.733 -9.342 -2.382 1.00 74.22 H new ATOM 0 HD11 ILE A 63 -3.220 -10.944 0.930 1.00 42.13 H new ATOM 0 HD12 ILE A 63 -3.562 -9.348 0.221 1.00 42.13 H new ATOM 0 HD13 ILE A 63 -3.906 -10.827 -0.707 1.00 42.13 H new ATOM 1022 N LYS A 64 -2.798 -10.531 -5.051 1.00 35.12 N ATOM 1023 CA LYS A 64 -3.657 -11.242 -6.025 1.00 21.32 C ATOM 1024 C LYS A 64 -3.016 -12.522 -6.597 1.00 14.15 C ATOM 1025 O LYS A 64 -3.727 -13.465 -6.913 1.00 13.21 O ATOM 1026 CB LYS A 64 -4.109 -10.325 -7.206 1.00 63.21 C ATOM 1027 CG LYS A 64 -2.997 -9.608 -8.033 1.00 73.52 C ATOM 1028 CD LYS A 64 -2.564 -10.360 -9.307 1.00 44.40 C ATOM 1029 CE LYS A 64 -1.916 -9.442 -10.341 1.00 51.33 C ATOM 1030 NZ LYS A 64 -2.756 -8.253 -10.669 1.00 51.11 N ATOM 0 H LYS A 64 -2.510 -9.597 -5.342 1.00 35.12 H new ATOM 0 HA LYS A 64 -4.532 -11.535 -5.444 1.00 21.32 H new ATOM 0 HB2 LYS A 64 -4.701 -10.930 -7.893 1.00 63.21 H new ATOM 0 HB3 LYS A 64 -4.773 -9.560 -6.802 1.00 63.21 H new ATOM 0 HG2 LYS A 64 -3.353 -8.617 -8.314 1.00 73.52 H new ATOM 0 HG3 LYS A 64 -2.124 -9.464 -7.396 1.00 73.52 H new ATOM 0 HD2 LYS A 64 -1.862 -11.149 -9.037 1.00 44.40 H new ATOM 0 HD3 LYS A 64 -3.433 -10.844 -9.751 1.00 44.40 H new ATOM 0 HE2 LYS A 64 -0.950 -9.105 -9.966 1.00 51.33 H new ATOM 0 HE3 LYS A 64 -1.724 -10.008 -11.253 1.00 51.33 H new ATOM 0 HZ1 LYS A 64 -2.526 -7.919 -11.627 1.00 51.11 H new ATOM 0 HZ2 LYS A 64 -3.761 -8.516 -10.626 1.00 51.11 H new ATOM 0 HZ3 LYS A 64 -2.567 -7.494 -9.983 1.00 51.11 H new ATOM 1044 N GLU A 65 -1.688 -12.556 -6.763 1.00 73.11 N ATOM 1045 CA GLU A 65 -1.046 -13.676 -7.442 1.00 41.52 C ATOM 1046 C GLU A 65 -0.787 -14.884 -6.513 1.00 22.41 C ATOM 1047 O GLU A 65 -0.623 -16.012 -6.987 1.00 0.12 O ATOM 1048 CB GLU A 65 0.198 -13.101 -8.137 1.00 25.35 C ATOM 1049 CG GLU A 65 1.488 -13.785 -7.844 1.00 44.43 C ATOM 1050 CD GLU A 65 2.705 -12.992 -8.221 1.00 74.41 C ATOM 1051 OE1 GLU A 65 2.589 -11.764 -8.362 1.00 23.44 O ATOM 1052 OE2 GLU A 65 3.789 -13.607 -8.357 1.00 73.24 O ATOM 0 H GLU A 65 -1.049 -11.829 -6.440 1.00 73.11 H new ATOM 0 HA GLU A 65 -1.702 -14.117 -8.193 1.00 41.52 H new ATOM 0 HB2 GLU A 65 0.032 -13.128 -9.214 1.00 25.35 H new ATOM 0 HB3 GLU A 65 0.294 -12.052 -7.856 1.00 25.35 H new ATOM 0 HG2 GLU A 65 1.532 -14.012 -6.779 1.00 44.43 H new ATOM 0 HG3 GLU A 65 1.510 -14.737 -8.374 1.00 44.43 H new ATOM 1059 N LYS A 66 -0.788 -14.659 -5.201 1.00 63.14 N ATOM 1060 CA LYS A 66 -0.698 -15.754 -4.251 1.00 3.43 C ATOM 1061 C LYS A 66 -2.120 -16.097 -3.677 1.00 72.44 C ATOM 1062 O LYS A 66 -2.221 -16.864 -2.726 1.00 74.33 O ATOM 1063 CB LYS A 66 0.322 -15.421 -3.095 1.00 74.13 C ATOM 1064 CG LYS A 66 1.753 -14.919 -3.483 1.00 53.42 C ATOM 1065 CD LYS A 66 2.557 -15.795 -4.486 1.00 50.25 C ATOM 1066 CE LYS A 66 3.959 -15.225 -4.748 1.00 34.33 C ATOM 1067 NZ LYS A 66 4.765 -16.111 -5.634 1.00 31.22 N ATOM 0 H LYS A 66 -0.850 -13.733 -4.778 1.00 63.14 H new ATOM 0 HA LYS A 66 -0.321 -16.633 -4.774 1.00 3.43 H new ATOM 0 HB2 LYS A 66 -0.134 -14.663 -2.459 1.00 74.13 H new ATOM 0 HB3 LYS A 66 0.439 -16.318 -2.487 1.00 74.13 H new ATOM 0 HG2 LYS A 66 1.659 -13.919 -3.906 1.00 53.42 H new ATOM 0 HG3 LYS A 66 2.339 -14.825 -2.569 1.00 53.42 H new ATOM 0 HD2 LYS A 66 2.644 -16.808 -4.094 1.00 50.25 H new ATOM 0 HD3 LYS A 66 2.011 -15.863 -5.427 1.00 50.25 H new ATOM 0 HE2 LYS A 66 3.870 -14.239 -5.205 1.00 34.33 H new ATOM 0 HE3 LYS A 66 4.479 -15.091 -3.799 1.00 34.33 H new ATOM 0 HZ1 LYS A 66 5.768 -15.845 -5.571 1.00 31.22 H new ATOM 0 HZ2 LYS A 66 4.649 -17.100 -5.334 1.00 31.22 H new ATOM 0 HZ3 LYS A 66 4.441 -16.007 -6.617 1.00 31.22 H new ATOM 1081 N ASP A 67 -3.224 -15.577 -4.310 1.00 22.11 N ATOM 1082 CA ASP A 67 -4.589 -15.611 -3.698 1.00 20.13 C ATOM 1083 C ASP A 67 -5.234 -16.990 -3.798 1.00 71.43 C ATOM 1084 O ASP A 67 -4.815 -17.811 -4.621 1.00 51.42 O ATOM 1085 CB ASP A 67 -5.568 -14.481 -4.081 1.00 10.52 C ATOM 1086 CG ASP A 67 -6.530 -14.805 -5.226 1.00 2.32 C ATOM 1087 OD1 ASP A 67 -6.072 -15.096 -6.349 1.00 25.43 O ATOM 1088 OD2 ASP A 67 -7.759 -14.795 -4.981 1.00 61.02 O ATOM 0 H ASP A 67 -3.192 -15.137 -5.230 1.00 22.11 H new ATOM 0 HA ASP A 67 -4.379 -15.395 -2.650 1.00 20.13 H new ATOM 0 HB2 ASP A 67 -6.154 -14.217 -3.201 1.00 10.52 H new ATOM 0 HB3 ASP A 67 -4.989 -13.599 -4.354 1.00 10.52 H new ATOM 1093 N GLY A 68 -6.265 -17.257 -2.988 1.00 72.23 N ATOM 1094 CA GLY A 68 -6.563 -18.625 -2.648 1.00 10.54 C ATOM 1095 C GLY A 68 -6.497 -18.936 -1.175 1.00 4.24 C ATOM 1096 O GLY A 68 -6.174 -20.071 -0.827 1.00 1.22 O ATOM 0 H GLY A 68 -6.882 -16.558 -2.574 1.00 72.23 H new ATOM 0 HA2 GLY A 68 -7.562 -18.866 -3.012 1.00 10.54 H new ATOM 0 HA3 GLY A 68 -5.866 -19.276 -3.175 1.00 10.54 H new ATOM 1100 N CYS A 69 -6.769 -17.896 -0.315 1.00 12.24 N ATOM 1101 CA CYS A 69 -6.771 -18.004 1.143 1.00 21.51 C ATOM 1102 C CYS A 69 -7.577 -19.228 1.570 1.00 75.30 C ATOM 1103 O CYS A 69 -8.698 -19.386 1.104 1.00 4.05 O ATOM 1104 CB CYS A 69 -7.370 -16.691 1.719 1.00 61.22 C ATOM 1105 SG CYS A 69 -8.588 -15.908 0.640 1.00 20.14 S ATOM 0 H CYS A 69 -6.993 -16.957 -0.645 1.00 12.24 H new ATOM 0 HA CYS A 69 -5.759 -18.134 1.528 1.00 21.51 H new ATOM 0 HB2 CYS A 69 -7.836 -16.907 2.680 1.00 61.22 H new ATOM 0 HB3 CYS A 69 -6.560 -15.986 1.908 1.00 61.22 H new ATOM 0 HG CYS A 69 -9.033 -14.824 1.203 1.00 20.14 H new ATOM 1111 N ASP A 70 -6.981 -20.049 2.512 1.00 23.44 N ATOM 1112 CA ASP A 70 -7.419 -21.463 2.726 1.00 44.22 C ATOM 1113 C ASP A 70 -8.894 -21.565 3.069 1.00 30.03 C ATOM 1114 O ASP A 70 -9.295 -21.246 4.173 1.00 73.23 O ATOM 1115 CB ASP A 70 -6.607 -22.130 3.887 1.00 21.10 C ATOM 1116 CG ASP A 70 -7.133 -23.499 4.318 1.00 64.52 C ATOM 1117 OD1 ASP A 70 -7.592 -24.286 3.462 1.00 31.11 O ATOM 1118 OD2 ASP A 70 -7.090 -23.789 5.527 1.00 63.05 O ATOM 0 H ASP A 70 -6.214 -19.753 3.116 1.00 23.44 H new ATOM 0 HA ASP A 70 -7.236 -21.980 1.784 1.00 44.22 H new ATOM 0 HB2 ASP A 70 -5.568 -22.235 3.574 1.00 21.10 H new ATOM 0 HB3 ASP A 70 -6.614 -21.463 4.749 1.00 21.10 H new ATOM 1123 N PHE A 71 -9.673 -21.952 2.041 1.00 64.13 N ATOM 1124 CA PHE A 71 -11.103 -22.103 2.097 1.00 4.03 C ATOM 1125 C PHE A 71 -11.494 -23.127 1.032 1.00 70.24 C ATOM 1126 O PHE A 71 -10.861 -23.138 -0.031 1.00 4.11 O ATOM 1127 CB PHE A 71 -11.838 -20.761 1.897 1.00 24.23 C ATOM 1128 CG PHE A 71 -12.903 -20.512 2.943 1.00 23.11 C ATOM 1129 CD1 PHE A 71 -12.555 -20.359 4.281 1.00 71.22 C ATOM 1130 CD2 PHE A 71 -14.247 -20.427 2.600 1.00 30.25 C ATOM 1131 CE1 PHE A 71 -13.518 -20.137 5.245 1.00 10.23 C ATOM 1132 CE2 PHE A 71 -15.211 -20.206 3.562 1.00 42.41 C ATOM 1133 CZ PHE A 71 -14.849 -20.058 4.884 1.00 3.44 C ATOM 0 H PHE A 71 -9.289 -22.172 1.122 1.00 64.13 H new ATOM 0 HA PHE A 71 -11.402 -22.451 3.086 1.00 4.03 H new ATOM 0 HB2 PHE A 71 -11.113 -19.948 1.923 1.00 24.23 H new ATOM 0 HB3 PHE A 71 -12.297 -20.747 0.908 1.00 24.23 H new ATOM 0 HD1 PHE A 71 -11.516 -20.415 4.570 1.00 71.22 H new ATOM 0 HD2 PHE A 71 -14.541 -20.535 1.566 1.00 30.25 H new ATOM 0 HE1 PHE A 71 -13.231 -20.025 6.280 1.00 10.23 H new ATOM 0 HE2 PHE A 71 -16.252 -20.149 3.279 1.00 42.41 H new ATOM 0 HZ PHE A 71 -15.604 -19.881 5.635 1.00 3.44 H new ATOM 1143 N GLU A 72 -12.444 -24.034 1.344 1.00 53.22 N ATOM 1144 CA GLU A 72 -13.043 -24.990 0.343 1.00 33.31 C ATOM 1145 C GLU A 72 -12.005 -26.034 -0.154 1.00 12.00 C ATOM 1146 O GLU A 72 -11.791 -26.186 -1.367 1.00 2.14 O ATOM 1147 CB GLU A 72 -13.662 -24.317 -0.953 1.00 5.22 C ATOM 1148 CG GLU A 72 -14.208 -22.877 -0.904 1.00 3.11 C ATOM 1149 CD GLU A 72 -14.742 -22.428 -2.249 1.00 64.41 C ATOM 1150 OE1 GLU A 72 -15.874 -22.819 -2.612 1.00 45.01 O ATOM 1151 OE2 GLU A 72 -14.027 -21.674 -2.942 1.00 34.41 O ATOM 0 H GLU A 72 -12.826 -24.137 2.284 1.00 53.22 H new ATOM 0 HA GLU A 72 -13.851 -25.453 0.910 1.00 33.31 H new ATOM 0 HB2 GLU A 72 -12.894 -24.343 -1.726 1.00 5.22 H new ATOM 0 HB3 GLU A 72 -14.476 -24.958 -1.290 1.00 5.22 H new ATOM 0 HG2 GLU A 72 -15.002 -22.815 -0.159 1.00 3.11 H new ATOM 0 HG3 GLU A 72 -13.417 -22.200 -0.583 1.00 3.11 H new ATOM 1158 N GLY A 73 -11.362 -26.751 0.776 1.00 75.31 N ATOM 1159 CA GLY A 73 -10.418 -27.802 0.393 1.00 34.42 C ATOM 1160 C GLY A 73 -9.023 -27.377 -0.071 1.00 31.10 C ATOM 1161 O GLY A 73 -8.161 -28.246 -0.233 1.00 71.31 O ATOM 0 H GLY A 73 -11.476 -26.624 1.782 1.00 75.31 H new ATOM 0 HA2 GLY A 73 -10.298 -28.470 1.246 1.00 34.42 H new ATOM 0 HA3 GLY A 73 -10.873 -28.385 -0.407 1.00 34.42 H new ATOM 1165 N ASN A 74 -8.774 -26.088 -0.285 1.00 70.44 N ATOM 1166 CA ASN A 74 -7.471 -25.691 -0.844 1.00 64.31 C ATOM 1167 C ASN A 74 -6.742 -24.856 0.206 1.00 13.23 C ATOM 1168 O ASN A 74 -7.196 -23.778 0.570 1.00 63.03 O ATOM 1169 CB ASN A 74 -7.615 -24.943 -2.222 1.00 23.54 C ATOM 1170 CG ASN A 74 -6.291 -24.661 -2.941 1.00 44.40 C ATOM 1171 OD1 ASN A 74 -5.388 -23.891 -2.348 1.00 5.11 O flip ATOM 1172 ND2 ASN A 74 -6.090 -25.143 -4.053 1.00 14.13 N flip ATOM 0 H ASN A 74 -9.422 -25.324 -0.092 1.00 70.44 H new ATOM 0 HA ASN A 74 -6.882 -26.579 -1.071 1.00 64.31 H new ATOM 0 HB2 ASN A 74 -8.249 -25.539 -2.878 1.00 23.54 H new ATOM 0 HB3 ASN A 74 -8.130 -23.997 -2.054 1.00 23.54 H new ATOM 0 HD21 ASN A 74 -6.799 -25.732 -4.489 1.00 14.13 H new ATOM 0 HD22 ASN A 74 -5.214 -24.954 -4.540 1.00 14.13 H new ATOM 1179 N LYS A 75 -5.569 -25.342 0.631 1.00 51.31 N ATOM 1180 CA LYS A 75 -4.899 -24.769 1.828 1.00 12.12 C ATOM 1181 C LYS A 75 -3.860 -23.698 1.440 1.00 52.31 C ATOM 1182 O LYS A 75 -2.757 -24.077 1.064 1.00 11.14 O ATOM 1183 CB LYS A 75 -4.194 -25.896 2.668 1.00 12.54 C ATOM 1184 CG LYS A 75 -4.610 -26.035 4.154 1.00 33.33 C ATOM 1185 CD LYS A 75 -5.165 -27.446 4.488 1.00 1.50 C ATOM 1186 CE LYS A 75 -6.640 -27.620 4.073 1.00 4.51 C ATOM 1187 NZ LYS A 75 -7.563 -26.838 4.928 1.00 34.33 N ATOM 0 H LYS A 75 -5.067 -26.110 0.185 1.00 51.31 H new ATOM 0 HA LYS A 75 -5.675 -24.298 2.432 1.00 12.12 H new ATOM 0 HB2 LYS A 75 -4.378 -26.850 2.175 1.00 12.54 H new ATOM 0 HB3 LYS A 75 -3.119 -25.721 2.633 1.00 12.54 H new ATOM 0 HG2 LYS A 75 -3.749 -25.827 4.790 1.00 33.33 H new ATOM 0 HG3 LYS A 75 -5.367 -25.286 4.387 1.00 33.33 H new ATOM 0 HD2 LYS A 75 -4.559 -28.199 3.984 1.00 1.50 H new ATOM 0 HD3 LYS A 75 -5.070 -27.625 5.559 1.00 1.50 H new ATOM 0 HE2 LYS A 75 -6.761 -27.311 3.035 1.00 4.51 H new ATOM 0 HE3 LYS A 75 -6.907 -28.675 4.125 1.00 4.51 H new ATOM 0 HZ1 LYS A 75 -8.408 -27.407 5.137 1.00 34.33 H new ATOM 0 HZ2 LYS A 75 -7.085 -26.588 5.817 1.00 34.33 H new ATOM 0 HZ3 LYS A 75 -7.845 -25.969 4.431 1.00 34.33 H new ATOM 1201 N LEU A 76 -4.176 -22.373 1.551 1.00 43.21 N ATOM 1202 CA LEU A 76 -3.134 -21.317 1.387 1.00 51.32 C ATOM 1203 C LEU A 76 -3.676 -20.027 1.985 1.00 4.32 C ATOM 1204 O LEU A 76 -4.434 -19.428 1.347 1.00 31.12 O ATOM 1205 CB LEU A 76 -2.752 -20.996 -0.109 1.00 25.32 C ATOM 1206 CG LEU A 76 -1.578 -21.762 -0.734 1.00 23.12 C ATOM 1207 CD1 LEU A 76 -2.067 -22.738 -1.792 1.00 74.03 C ATOM 1208 CD2 LEU A 76 -0.594 -20.789 -1.355 1.00 2.33 C ATOM 0 H LEU A 76 -5.113 -22.021 1.747 1.00 43.21 H new ATOM 0 HA LEU A 76 -2.238 -21.696 1.879 1.00 51.32 H new ATOM 0 HB2 LEU A 76 -3.633 -21.176 -0.724 1.00 25.32 H new ATOM 0 HB3 LEU A 76 -2.529 -19.931 -0.175 1.00 25.32 H new ATOM 0 HG LEU A 76 -1.083 -22.326 0.056 1.00 23.12 H new ATOM 0 HD11 LEU A 76 -1.216 -23.268 -2.219 1.00 74.03 H new ATOM 0 HD12 LEU A 76 -2.750 -23.455 -1.337 1.00 74.03 H new ATOM 0 HD13 LEU A 76 -2.586 -22.191 -2.579 1.00 74.03 H new ATOM 0 HD21 LEU A 76 0.235 -21.342 -1.796 1.00 2.33 H new ATOM 0 HD22 LEU A 76 -1.096 -20.209 -2.129 1.00 2.33 H new ATOM 0 HD23 LEU A 76 -0.214 -20.116 -0.587 1.00 2.33 H new ATOM 1220 N ARG A 77 -3.292 -19.546 3.160 1.00 42.25 N ATOM 1221 CA ARG A 77 -4.036 -18.415 3.745 1.00 12.40 C ATOM 1222 C ARG A 77 -3.323 -17.117 3.299 1.00 65.54 C ATOM 1223 O ARG A 77 -2.218 -16.864 3.759 1.00 61.21 O ATOM 1224 CB ARG A 77 -4.025 -18.554 5.310 1.00 24.44 C ATOM 1225 CG ARG A 77 -4.789 -17.511 6.187 1.00 63.30 C ATOM 1226 CD ARG A 77 -4.064 -16.167 6.359 1.00 31.33 C ATOM 1227 NE ARG A 77 -4.535 -15.441 7.546 1.00 52.11 N ATOM 1228 CZ ARG A 77 -5.682 -14.752 7.609 1.00 21.04 C ATOM 1229 NH1 ARG A 77 -6.502 -14.717 6.561 1.00 0.33 N ATOM 1230 NH2 ARG A 77 -5.993 -14.069 8.708 1.00 62.23 N ATOM 0 H ARG A 77 -2.509 -19.894 3.713 1.00 42.25 H new ATOM 0 HA ARG A 77 -5.074 -18.398 3.413 1.00 12.40 H new ATOM 0 HB2 ARG A 77 -4.426 -19.538 5.552 1.00 24.44 H new ATOM 0 HB3 ARG A 77 -2.983 -18.547 5.630 1.00 24.44 H new ATOM 0 HG2 ARG A 77 -5.766 -17.327 5.741 1.00 63.30 H new ATOM 0 HG3 ARG A 77 -4.964 -17.943 7.172 1.00 63.30 H new ATOM 0 HD2 ARG A 77 -2.991 -16.341 6.441 1.00 31.33 H new ATOM 0 HD3 ARG A 77 -4.221 -15.553 5.472 1.00 31.33 H new ATOM 0 HE ARG A 77 -3.948 -15.463 8.380 1.00 52.11 H new ATOM 0 HH11 ARG A 77 -6.258 -15.216 5.706 1.00 0.33 H new ATOM 0 HH12 ARG A 77 -7.374 -14.191 6.613 1.00 0.33 H new ATOM 0 HH21 ARG A 77 -5.357 -14.069 9.506 1.00 62.23 H new ATOM 0 HH22 ARG A 77 -6.867 -13.545 8.753 1.00 62.23 H new ATOM 1244 N VAL A 78 -3.907 -16.286 2.413 1.00 41.00 N ATOM 1245 CA VAL A 78 -3.205 -15.076 1.992 1.00 40.22 C ATOM 1246 C VAL A 78 -4.164 -13.853 2.178 1.00 40.41 C ATOM 1247 O VAL A 78 -5.218 -13.828 1.536 1.00 3.20 O ATOM 1248 CB VAL A 78 -2.687 -15.238 0.492 1.00 1.14 C ATOM 1249 CG1 VAL A 78 -2.013 -13.967 0.007 1.00 63.22 C ATOM 1250 CG2 VAL A 78 -1.683 -16.409 0.360 1.00 61.30 C ATOM 0 H VAL A 78 -4.826 -16.428 1.994 1.00 41.00 H new ATOM 0 HA VAL A 78 -2.321 -14.905 2.606 1.00 40.22 H new ATOM 0 HB VAL A 78 -3.564 -15.446 -0.120 1.00 1.14 H new ATOM 0 HG11 VAL A 78 -1.670 -14.106 -1.018 1.00 63.22 H new ATOM 0 HG12 VAL A 78 -2.724 -13.142 0.043 1.00 63.22 H new ATOM 0 HG13 VAL A 78 -1.161 -13.740 0.647 1.00 63.22 H new ATOM 0 HG21 VAL A 78 -1.352 -16.489 -0.675 1.00 61.30 H new ATOM 0 HG22 VAL A 78 -0.822 -16.225 1.003 1.00 61.30 H new ATOM 0 HG23 VAL A 78 -2.167 -17.339 0.659 1.00 61.30 H new ATOM 1260 N GLU A 79 -3.841 -12.841 3.061 1.00 0.21 N ATOM 1261 CA GLU A 79 -4.796 -11.739 3.337 1.00 21.31 C ATOM 1262 C GLU A 79 -4.033 -10.454 3.690 1.00 72.12 C ATOM 1263 O GLU A 79 -3.034 -10.510 4.436 1.00 60.11 O ATOM 1264 CB GLU A 79 -5.739 -12.225 4.494 1.00 62.14 C ATOM 1265 CG GLU A 79 -6.550 -11.194 5.324 1.00 42.54 C ATOM 1266 CD GLU A 79 -7.670 -11.839 6.114 1.00 41.35 C ATOM 1267 OE1 GLU A 79 -8.579 -12.430 5.498 1.00 70.32 O ATOM 1268 OE2 GLU A 79 -7.621 -11.788 7.360 1.00 72.24 O ATOM 0 H GLU A 79 -2.958 -12.779 3.568 1.00 0.21 H new ATOM 0 HA GLU A 79 -5.400 -11.498 2.462 1.00 21.31 H new ATOM 0 HB2 GLU A 79 -6.454 -12.923 4.057 1.00 62.14 H new ATOM 0 HB3 GLU A 79 -5.126 -12.793 5.194 1.00 62.14 H new ATOM 0 HG2 GLU A 79 -5.879 -10.675 6.008 1.00 42.54 H new ATOM 0 HG3 GLU A 79 -6.968 -10.442 4.655 1.00 42.54 H new ATOM 1275 N VAL A 80 -4.461 -9.300 3.111 1.00 12.53 N ATOM 1276 CA VAL A 80 -4.090 -8.008 3.679 1.00 54.11 C ATOM 1277 C VAL A 80 -4.951 -7.684 4.919 1.00 4.21 C ATOM 1278 O VAL A 80 -6.182 -7.666 4.864 1.00 13.01 O ATOM 1279 CB VAL A 80 -4.189 -6.838 2.633 1.00 34.40 C ATOM 1280 CG1 VAL A 80 -3.139 -6.998 1.565 1.00 55.24 C ATOM 1281 CG2 VAL A 80 -5.540 -6.765 1.950 1.00 23.32 C ATOM 0 H VAL A 80 -5.045 -9.253 2.276 1.00 12.53 H new ATOM 0 HA VAL A 80 -3.045 -8.090 3.979 1.00 54.11 H new ATOM 0 HB VAL A 80 -4.039 -5.919 3.200 1.00 34.40 H new ATOM 0 HG11 VAL A 80 -3.221 -6.180 0.849 1.00 55.24 H new ATOM 0 HG12 VAL A 80 -2.150 -6.982 2.022 1.00 55.24 H new ATOM 0 HG13 VAL A 80 -3.286 -7.947 1.050 1.00 55.24 H new ATOM 0 HG21 VAL A 80 -5.545 -5.938 1.240 1.00 23.32 H new ATOM 0 HG22 VAL A 80 -5.731 -7.698 1.420 1.00 23.32 H new ATOM 0 HG23 VAL A 80 -6.317 -6.606 2.697 1.00 23.32 H new ATOM 1291 N PRO A 81 -4.318 -7.455 6.080 1.00 12.12 N ATOM 1292 CA PRO A 81 -4.984 -6.846 7.227 1.00 41.54 C ATOM 1293 C PRO A 81 -4.867 -5.317 7.257 1.00 24.52 C ATOM 1294 O PRO A 81 -5.148 -4.689 8.282 1.00 34.11 O ATOM 1295 CB PRO A 81 -4.255 -7.475 8.411 1.00 44.05 C ATOM 1296 CG PRO A 81 -2.879 -7.764 7.917 1.00 60.15 C ATOM 1297 CD PRO A 81 -2.969 -7.911 6.420 1.00 24.52 C ATOM 0 HA PRO A 81 -6.059 -7.024 7.217 1.00 41.54 H new ATOM 0 HB2 PRO A 81 -4.232 -6.797 9.264 1.00 44.05 H new ATOM 0 HB3 PRO A 81 -4.754 -8.386 8.741 1.00 44.05 H new ATOM 0 HG2 PRO A 81 -2.196 -6.958 8.185 1.00 60.15 H new ATOM 0 HG3 PRO A 81 -2.490 -8.675 8.371 1.00 60.15 H new ATOM 0 HD2 PRO A 81 -2.210 -7.311 5.917 1.00 24.52 H new ATOM 0 HD3 PRO A 81 -2.812 -8.945 6.114 1.00 24.52 H new ATOM 1305 N PHE A 82 -4.445 -4.713 6.139 1.00 13.35 N ATOM 1306 CA PHE A 82 -4.498 -3.265 6.031 1.00 11.34 C ATOM 1307 C PHE A 82 -5.687 -2.876 5.177 1.00 34.13 C ATOM 1308 O PHE A 82 -6.447 -1.984 5.560 1.00 1.45 O ATOM 1309 CB PHE A 82 -3.177 -2.587 5.521 1.00 11.23 C ATOM 1310 CG PHE A 82 -2.501 -3.164 4.282 1.00 32.14 C ATOM 1311 CD1 PHE A 82 -2.897 -2.796 3.010 1.00 23.42 C ATOM 1312 CD2 PHE A 82 -1.438 -4.027 4.407 1.00 55.24 C ATOM 1313 CE1 PHE A 82 -2.248 -3.281 1.895 1.00 42.14 C ATOM 1314 CE2 PHE A 82 -0.782 -4.521 3.305 1.00 11.44 C ATOM 1315 CZ PHE A 82 -1.184 -4.147 2.044 1.00 2.13 C ATOM 0 H PHE A 82 -4.074 -5.196 5.321 1.00 13.35 H new ATOM 0 HA PHE A 82 -4.614 -2.882 7.045 1.00 11.34 H new ATOM 0 HB2 PHE A 82 -3.397 -1.538 5.322 1.00 11.23 H new ATOM 0 HB3 PHE A 82 -2.454 -2.612 6.336 1.00 11.23 H new ATOM 0 HD1 PHE A 82 -3.728 -2.118 2.888 1.00 23.42 H new ATOM 0 HD2 PHE A 82 -1.111 -4.323 5.393 1.00 55.24 H new ATOM 0 HE1 PHE A 82 -2.571 -2.984 0.908 1.00 42.14 H new ATOM 0 HE2 PHE A 82 0.047 -5.201 3.429 1.00 11.44 H new ATOM 0 HZ PHE A 82 -0.670 -4.529 1.175 1.00 2.13 H new ATOM 1325 N ASN A 83 -5.836 -3.586 4.038 1.00 1.23 N ATOM 1326 CA ASN A 83 -6.914 -3.343 3.035 1.00 60.34 C ATOM 1327 C ASN A 83 -6.950 -1.848 2.637 1.00 41.21 C ATOM 1328 O ASN A 83 -7.982 -1.192 2.771 1.00 50.23 O ATOM 1329 CB ASN A 83 -8.322 -3.771 3.551 1.00 14.21 C ATOM 1330 CG ASN A 83 -9.078 -4.596 2.527 1.00 31.34 C ATOM 1331 OD1 ASN A 83 -8.927 -4.392 1.339 1.00 63.22 O ATOM 1332 ND2 ASN A 83 -9.872 -5.557 2.980 1.00 21.42 N ATOM 0 H ASN A 83 -5.212 -4.350 3.780 1.00 1.23 H new ATOM 0 HA ASN A 83 -6.677 -3.958 2.167 1.00 60.34 H new ATOM 0 HB2 ASN A 83 -8.211 -4.347 4.470 1.00 14.21 H new ATOM 0 HB3 ASN A 83 -8.902 -2.882 3.800 1.00 14.21 H new ATOM 0 HD21 ASN A 83 -10.378 -6.152 2.324 1.00 21.42 H new ATOM 0 HD22 ASN A 83 -9.976 -5.701 3.984 1.00 21.42 H new ATOM 1339 N ALA A 84 -5.826 -1.294 2.167 1.00 71.33 N ATOM 1340 CA ALA A 84 -5.657 0.157 2.122 1.00 3.22 C ATOM 1341 C ALA A 84 -4.470 0.511 1.224 1.00 52.43 C ATOM 1342 O ALA A 84 -3.793 -0.386 0.718 1.00 52.12 O ATOM 1343 CB ALA A 84 -5.470 0.734 3.550 1.00 23.14 C ATOM 0 H ALA A 84 -5.029 -1.825 1.816 1.00 71.33 H new ATOM 0 HA ALA A 84 -6.557 0.606 1.702 1.00 3.22 H new ATOM 0 HB1 ALA A 84 -5.346 1.815 3.492 1.00 23.14 H new ATOM 0 HB2 ALA A 84 -6.347 0.501 4.154 1.00 23.14 H new ATOM 0 HB3 ALA A 84 -4.586 0.291 4.008 1.00 23.14 H new ATOM 1349 N ARG A 85 -4.229 1.806 1.006 1.00 61.21 N ATOM 1350 CA ARG A 85 -3.021 2.249 0.299 1.00 2.23 C ATOM 1351 C ARG A 85 -2.214 3.182 1.236 1.00 72.32 C ATOM 1352 O ARG A 85 -2.820 3.882 2.053 1.00 12.42 O ATOM 1353 CB ARG A 85 -3.379 2.993 -1.004 1.00 10.33 C ATOM 1354 CG ARG A 85 -2.172 3.582 -1.737 1.00 63.32 C ATOM 1355 CD ARG A 85 -2.564 4.462 -2.901 1.00 63.13 C ATOM 1356 NE ARG A 85 -1.447 5.321 -3.303 1.00 33.33 N ATOM 1357 CZ ARG A 85 -1.359 5.963 -4.473 1.00 34.41 C ATOM 1358 NH1 ARG A 85 -2.332 5.867 -5.380 1.00 54.23 N ATOM 1359 NH2 ARG A 85 -0.296 6.720 -4.723 1.00 74.34 N ATOM 0 H ARG A 85 -4.846 2.561 1.305 1.00 61.21 H new ATOM 0 HA ARG A 85 -2.426 1.376 0.030 1.00 2.23 H new ATOM 0 HB2 ARG A 85 -3.897 2.305 -1.672 1.00 10.33 H new ATOM 0 HB3 ARG A 85 -4.077 3.797 -0.771 1.00 10.33 H new ATOM 0 HG2 ARG A 85 -1.574 4.162 -1.034 1.00 63.32 H new ATOM 0 HG3 ARG A 85 -1.541 2.770 -2.098 1.00 63.32 H new ATOM 0 HD2 ARG A 85 -2.874 3.843 -3.743 1.00 63.13 H new ATOM 0 HD3 ARG A 85 -3.421 5.077 -2.625 1.00 63.13 H new ATOM 0 HE ARG A 85 -0.680 5.438 -2.641 1.00 33.33 H new ATOM 0 HH11 ARG A 85 -3.156 5.299 -5.185 1.00 54.23 H new ATOM 0 HH12 ARG A 85 -2.252 6.362 -6.268 1.00 54.23 H new ATOM 0 HH21 ARG A 85 0.443 6.807 -4.026 1.00 74.34 H new ATOM 0 HH22 ARG A 85 -0.219 7.214 -5.612 1.00 74.34 H new ATOM 1373 N GLU A 86 -0.871 3.189 1.144 1.00 24.31 N ATOM 1374 CA GLU A 86 -0.079 4.217 1.790 1.00 44.53 C ATOM 1375 C GLU A 86 0.477 5.121 0.690 1.00 71.03 C ATOM 1376 O GLU A 86 0.254 6.345 0.755 1.00 22.43 O ATOM 1377 CB GLU A 86 1.043 3.607 2.654 1.00 34.42 C ATOM 1378 CG GLU A 86 1.658 4.583 3.671 1.00 41.50 C ATOM 1379 CD GLU A 86 1.799 3.966 5.056 1.00 34.10 C ATOM 1380 OE1 GLU A 86 2.744 3.178 5.270 1.00 53.34 O ATOM 1381 OE2 GLU A 86 0.953 4.273 5.931 1.00 21.04 O ATOM 1382 OXT GLU A 86 1.035 4.572 -0.298 1.00 36.61 O ATOM 0 H GLU A 86 -0.328 2.495 0.630 1.00 24.31 H new ATOM 0 HA GLU A 86 -0.696 4.798 2.475 1.00 44.53 H new ATOM 0 HB2 GLU A 86 0.646 2.745 3.190 1.00 34.42 H new ATOM 0 HB3 GLU A 86 1.832 3.239 1.998 1.00 34.42 H new ATOM 0 HG2 GLU A 86 2.638 4.902 3.317 1.00 41.50 H new ATOM 0 HG3 GLU A 86 1.036 5.476 3.736 1.00 41.50 H new TER 1389 GLU A 86