USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 699 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 78 THR OG1 : rot 59:sc= 1.92 USER MOD Set 1.2: A 80 THR OG1 : rot 92:sc= 0.462 USER MOD Set 1.3: A 94 LYS NZ :NH3+ -175:sc= 1.02 (180deg=0.105) USER MOD Set 2.1: A 83 CYS SG : rot -90:sc= -0.521 USER MOD Set 2.2: A 86 HIS : no HD1:sc= 0.0328 K(o=-0.49,f=-1.8) USER MOD Set 3.1: A 55 LYS NZ :NH3+ 142:sc= 2.4 (180deg=-1.42) USER MOD Set 3.2: A 58 HIS : no HE2:sc= 0.143 K(o=2.5,f=-9.3!) USER MOD Set 4.1: A 34 ASN : amide:sc= 0.687 K(o=3.1,f=2.1) USER MOD Set 4.2: A 35 LYS NZ :NH3+ 171:sc= 2.44 (180deg=2.35) USER MOD Set 5.1: A 7 MET CE :methyl 177:sc= -0.802 (180deg=-0.645) USER MOD Set 5.2: A 33 ASN : amide:sc= -8.85! C(o=-15!,f=-17!) USER MOD Set 5.3: A 37 SER OG : rot 180:sc= 0.0699 USER MOD Set 5.4: A 39 HIS : no HE2:sc= -5.85! C(o=-15!,f=-18!) USER MOD Set 6.1: A 2 ASN : amide:sc= 1.42 K(o=5.6,f=-5.5) USER MOD Set 6.2: A 4 THR OG1 : rot -149:sc= 0.878 USER MOD Set 6.3: A 30 LYS NZ :NH3+ 151:sc= 3.28 (180deg=0.807) USER MOD Single : A 1 ALA N :NH3+ -105:sc= 0.778 (180deg=0.0782) USER MOD Single : A 6 LYS NZ :NH3+ -153:sc= 2.35 (180deg=2.28) USER MOD Single : A 9 SER OG : rot 44:sc= 1.2 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 48:sc= 0.906 USER MOD Single : A 20 THR OG1 : rot 17:sc= 0.515 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -153:sc= 0.792 (180deg=-0.114) USER MOD Single : A 40 ASN : amide:sc= 1.17 K(o=1.2,f=-4.8!) USER MOD Single : A 52 THR OG1 : rot -31:sc= 1.06 USER MOD Single : A 57 SER OG : rot 180:sc= 0.028 USER MOD Single : A 59 LYS NZ :NH3+ -141:sc= 1.2 (180deg=0.733) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 179:sc= 1.25 USER MOD Single : A 71 SER OG : rot -22:sc= 1.28 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -42:sc= 0.983 USER MOD Single : A 79 TYR OH : rot -52:sc= 1.16 USER MOD Single : A 81 TYR OH : rot 53:sc= 1.51 USER MOD Single : A 82 TYR OH : rot 164:sc= 1.28 USER MOD Single : A 91 MET CE :methyl 173:sc= 0 (180deg=-0.112) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.685 -1.567 -15.162 1.00 0.00 N ATOM 2 CA ALA A 1 4.431 -2.808 -15.459 1.00 0.00 C ATOM 3 C ALA A 1 4.662 -3.652 -14.200 1.00 0.00 C ATOM 4 O ALA A 1 5.749 -3.562 -13.638 1.00 0.00 O ATOM 5 CB ALA A 1 5.733 -2.484 -16.207 1.00 0.00 C ATOM 0 H1 ALA A 1 2.703 -1.665 -15.492 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.690 -1.396 -14.136 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.136 -0.766 -15.649 1.00 0.00 H new ATOM 0 HA ALA A 1 3.822 -3.425 -16.119 1.00 0.00 H new ATOM 0 HB1 ALA A 1 6.271 -3.408 -16.418 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.498 -1.978 -17.144 1.00 0.00 H new ATOM 0 HB3 ALA A 1 6.355 -1.835 -15.590 1.00 0.00 H new ATOM 13 N ASN A 2 3.654 -4.440 -13.757 1.00 0.00 N ATOM 14 CA ASN A 2 3.706 -5.342 -12.607 1.00 0.00 C ATOM 15 C ASN A 2 4.425 -4.668 -11.428 1.00 0.00 C ATOM 16 O ASN A 2 5.558 -5.017 -11.078 1.00 0.00 O ATOM 17 CB ASN A 2 4.394 -6.632 -13.117 1.00 0.00 C ATOM 18 CG ASN A 2 4.348 -7.756 -12.104 1.00 0.00 C ATOM 19 OD1 ASN A 2 5.293 -8.036 -11.378 1.00 0.00 O ATOM 20 ND2 ASN A 2 3.195 -8.380 -12.018 1.00 0.00 N ATOM 0 H ASN A 2 2.745 -4.457 -14.220 1.00 0.00 H new ATOM 0 HA ASN A 2 2.720 -5.592 -12.215 1.00 0.00 H new ATOM 0 HB2 ASN A 2 3.910 -6.958 -14.038 1.00 0.00 H new ATOM 0 HB3 ASN A 2 5.433 -6.412 -13.363 1.00 0.00 H new ATOM 0 HD21 ASN A 2 3.067 -9.123 -11.331 1.00 0.00 H new ATOM 0 HD22 ASN A 2 2.428 -8.122 -12.639 1.00 0.00 H new ATOM 27 N ALA A 3 3.763 -3.701 -10.779 1.00 0.00 N ATOM 28 CA ALA A 3 4.425 -3.001 -9.703 1.00 0.00 C ATOM 29 C ALA A 3 4.676 -3.887 -8.485 1.00 0.00 C ATOM 30 O ALA A 3 4.041 -4.921 -8.242 1.00 0.00 O ATOM 31 CB ALA A 3 3.665 -1.712 -9.373 1.00 0.00 C ATOM 0 H ALA A 3 2.808 -3.404 -10.979 1.00 0.00 H new ATOM 0 HA ALA A 3 5.422 -2.719 -10.041 1.00 0.00 H new ATOM 0 HB1 ALA A 3 4.170 -1.190 -8.561 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.636 -1.071 -10.254 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.647 -1.957 -9.069 1.00 0.00 H new ATOM 37 N THR A 4 5.662 -3.432 -7.728 1.00 0.00 N ATOM 38 CA THR A 4 6.157 -3.994 -6.494 1.00 0.00 C ATOM 39 C THR A 4 6.413 -2.776 -5.621 1.00 0.00 C ATOM 40 O THR A 4 6.792 -1.731 -6.152 1.00 0.00 O ATOM 41 CB THR A 4 7.415 -4.844 -6.765 1.00 0.00 C ATOM 42 OG1 THR A 4 7.206 -5.743 -7.845 1.00 0.00 O ATOM 43 CG2 THR A 4 7.823 -5.667 -5.544 1.00 0.00 C ATOM 0 H THR A 4 6.175 -2.590 -7.988 1.00 0.00 H new ATOM 0 HA THR A 4 5.468 -4.681 -6.003 1.00 0.00 H new ATOM 0 HB THR A 4 8.208 -4.137 -7.010 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.740 -6.553 -7.705 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.713 -6.250 -5.779 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.037 -4.999 -4.710 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.010 -6.340 -5.271 1.00 0.00 H new ATOM 51 N VAL A 5 6.167 -2.850 -4.316 1.00 0.00 N ATOM 52 CA VAL A 5 6.409 -1.714 -3.419 1.00 0.00 C ATOM 53 C VAL A 5 6.806 -2.206 -2.040 1.00 0.00 C ATOM 54 O VAL A 5 6.412 -3.289 -1.603 1.00 0.00 O ATOM 55 CB VAL A 5 5.208 -0.716 -3.443 1.00 0.00 C ATOM 56 CG1 VAL A 5 3.932 -1.178 -4.180 1.00 0.00 C ATOM 57 CG2 VAL A 5 4.866 -0.039 -2.108 1.00 0.00 C ATOM 0 H VAL A 5 5.801 -3.681 -3.852 1.00 0.00 H new ATOM 0 HA VAL A 5 7.259 -1.133 -3.776 1.00 0.00 H new ATOM 0 HB VAL A 5 5.643 0.057 -4.077 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.175 -0.395 -4.123 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.168 -1.379 -5.225 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.551 -2.086 -3.713 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.017 0.631 -2.247 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.612 -0.799 -1.369 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.726 0.533 -1.759 1.00 0.00 H new ATOM 67 N LYS A 6 7.612 -1.391 -1.344 1.00 0.00 N ATOM 68 CA LYS A 6 8.116 -1.794 -0.013 1.00 0.00 C ATOM 69 C LYS A 6 7.716 -0.856 1.113 1.00 0.00 C ATOM 70 O LYS A 6 8.077 0.308 1.089 1.00 0.00 O ATOM 71 CB LYS A 6 9.658 -1.879 -0.036 1.00 0.00 C ATOM 72 CG LYS A 6 10.302 -2.661 -1.192 1.00 0.00 C ATOM 73 CD LYS A 6 11.763 -2.239 -1.411 1.00 0.00 C ATOM 74 CE LYS A 6 12.667 -2.400 -0.182 1.00 0.00 C ATOM 75 NZ LYS A 6 13.709 -1.353 -0.173 1.00 0.00 N ATOM 0 H LYS A 6 7.925 -0.474 -1.664 1.00 0.00 H new ATOM 0 HA LYS A 6 7.658 -2.763 0.188 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.052 -0.863 -0.055 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.985 -2.330 0.901 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.259 -3.729 -0.979 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.733 -2.495 -2.107 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.178 -2.827 -2.230 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.782 -1.196 -1.725 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.070 -2.337 0.728 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.132 -3.386 -0.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.545 -1.700 0.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.975 -1.119 -1.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.342 -0.502 0.299 1.00 0.00 H new ATOM 89 N MET A 7 6.938 -1.374 2.058 1.00 0.00 N ATOM 90 CA MET A 7 6.471 -0.701 3.267 1.00 0.00 C ATOM 91 C MET A 7 7.655 -0.665 4.244 1.00 0.00 C ATOM 92 O MET A 7 8.172 -1.728 4.607 1.00 0.00 O ATOM 93 CB MET A 7 5.287 -1.467 3.862 1.00 0.00 C ATOM 94 CG MET A 7 4.068 -1.543 2.944 1.00 0.00 C ATOM 95 SD MET A 7 2.568 -1.992 3.843 1.00 0.00 S ATOM 96 CE MET A 7 2.961 -3.699 4.320 1.00 0.00 C ATOM 0 H MET A 7 6.596 -2.333 1.997 1.00 0.00 H new ATOM 0 HA MET A 7 6.128 0.312 3.054 1.00 0.00 H new ATOM 0 HB2 MET A 7 5.609 -2.480 4.105 1.00 0.00 H new ATOM 0 HB3 MET A 7 4.994 -0.992 4.798 1.00 0.00 H new ATOM 0 HG2 MET A 7 3.922 -0.580 2.455 1.00 0.00 H new ATOM 0 HG3 MET A 7 4.252 -2.275 2.158 1.00 0.00 H new ATOM 0 HE1 MET A 7 2.153 -4.101 4.930 1.00 0.00 H new ATOM 0 HE2 MET A 7 3.078 -4.309 3.424 1.00 0.00 H new ATOM 0 HE3 MET A 7 3.889 -3.713 4.892 1.00 0.00 H new ATOM 106 N GLY A 8 8.047 0.541 4.674 1.00 0.00 N ATOM 107 CA GLY A 8 9.179 0.759 5.564 1.00 0.00 C ATOM 108 C GLY A 8 10.417 0.948 4.711 1.00 0.00 C ATOM 109 O GLY A 8 11.052 -0.049 4.332 1.00 0.00 O ATOM 0 H GLY A 8 7.574 1.403 4.405 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.009 1.636 6.188 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.305 -0.091 6.235 1.00 0.00 H new ATOM 113 N SER A 9 10.729 2.214 4.401 1.00 0.00 N ATOM 114 CA SER A 9 11.915 2.480 3.603 1.00 0.00 C ATOM 115 C SER A 9 13.140 1.911 4.320 1.00 0.00 C ATOM 116 O SER A 9 13.175 1.911 5.555 1.00 0.00 O ATOM 117 CB SER A 9 12.089 3.958 3.280 1.00 0.00 C ATOM 118 OG SER A 9 13.139 4.063 2.339 1.00 0.00 O ATOM 0 H SER A 9 10.195 3.036 4.682 1.00 0.00 H new ATOM 0 HA SER A 9 11.796 1.983 2.640 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.167 4.374 2.874 1.00 0.00 H new ATOM 0 HB3 SER A 9 12.324 4.523 4.182 1.00 0.00 H new ATOM 0 HG SER A 9 13.030 3.376 1.649 1.00 0.00 H new ATOM 124 N ASP A 10 14.166 1.453 3.590 1.00 0.00 N ATOM 125 CA ASP A 10 15.344 0.853 4.230 1.00 0.00 C ATOM 126 C ASP A 10 16.103 1.788 5.190 1.00 0.00 C ATOM 127 O ASP A 10 16.891 1.306 6.001 1.00 0.00 O ATOM 128 CB ASP A 10 16.262 0.213 3.173 1.00 0.00 C ATOM 129 CG ASP A 10 15.775 -1.205 2.837 1.00 0.00 C ATOM 130 OD1 ASP A 10 15.482 -1.984 3.778 1.00 0.00 O ATOM 131 OD2 ASP A 10 15.626 -1.515 1.638 1.00 0.00 O ATOM 0 H ASP A 10 14.205 1.485 2.571 1.00 0.00 H new ATOM 0 HA ASP A 10 14.968 0.067 4.884 1.00 0.00 H new ATOM 0 HB2 ASP A 10 16.273 0.825 2.271 1.00 0.00 H new ATOM 0 HB3 ASP A 10 17.286 0.175 3.545 1.00 0.00 H new ATOM 136 N SER A 11 15.838 3.104 5.154 1.00 0.00 N ATOM 137 CA SER A 11 16.455 4.082 6.068 1.00 0.00 C ATOM 138 C SER A 11 15.765 4.068 7.443 1.00 0.00 C ATOM 139 O SER A 11 16.261 4.672 8.394 1.00 0.00 O ATOM 140 CB SER A 11 16.362 5.501 5.493 1.00 0.00 C ATOM 141 OG SER A 11 17.088 5.624 4.287 1.00 0.00 O ATOM 0 H SER A 11 15.188 3.522 4.488 1.00 0.00 H new ATOM 0 HA SER A 11 17.501 3.797 6.182 1.00 0.00 H new ATOM 0 HB2 SER A 11 15.317 5.754 5.316 1.00 0.00 H new ATOM 0 HB3 SER A 11 16.744 6.215 6.222 1.00 0.00 H new ATOM 0 HG SER A 11 17.006 6.540 3.948 1.00 0.00 H new ATOM 147 N GLY A 12 14.617 3.377 7.532 1.00 0.00 N ATOM 148 CA GLY A 12 13.786 3.253 8.718 1.00 0.00 C ATOM 149 C GLY A 12 12.637 4.267 8.767 1.00 0.00 C ATOM 150 O GLY A 12 12.063 4.471 9.831 1.00 0.00 O ATOM 0 H GLY A 12 14.234 2.869 6.735 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.373 2.245 8.759 1.00 0.00 H new ATOM 0 HA3 GLY A 12 14.409 3.378 9.604 1.00 0.00 H new ATOM 154 N ALA A 13 12.312 4.927 7.651 1.00 0.00 N ATOM 155 CA ALA A 13 11.206 5.877 7.587 1.00 0.00 C ATOM 156 C ALA A 13 9.912 5.123 7.247 1.00 0.00 C ATOM 157 O ALA A 13 9.893 4.372 6.267 1.00 0.00 O ATOM 158 CB ALA A 13 11.526 6.944 6.534 1.00 0.00 C ATOM 0 H ALA A 13 12.811 4.815 6.768 1.00 0.00 H new ATOM 0 HA ALA A 13 11.068 6.373 8.548 1.00 0.00 H new ATOM 0 HB1 ALA A 13 10.705 7.659 6.479 1.00 0.00 H new ATOM 0 HB2 ALA A 13 12.443 7.465 6.811 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.658 6.468 5.562 1.00 0.00 H new ATOM 164 N LEU A 14 8.849 5.323 8.042 1.00 0.00 N ATOM 165 CA LEU A 14 7.510 4.741 7.872 1.00 0.00 C ATOM 166 C LEU A 14 6.837 5.236 6.588 1.00 0.00 C ATOM 167 O LEU A 14 5.840 5.949 6.611 1.00 0.00 O ATOM 168 CB LEU A 14 6.620 5.013 9.109 1.00 0.00 C ATOM 169 CG LEU A 14 7.043 4.407 10.462 1.00 0.00 C ATOM 170 CD1 LEU A 14 7.559 2.975 10.316 1.00 0.00 C ATOM 171 CD2 LEU A 14 8.072 5.276 11.194 1.00 0.00 C ATOM 0 H LEU A 14 8.904 5.926 8.863 1.00 0.00 H new ATOM 0 HA LEU A 14 7.635 3.662 7.780 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.549 6.093 9.236 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.617 4.652 8.882 1.00 0.00 H new ATOM 0 HG LEU A 14 6.140 4.378 11.072 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.845 2.590 11.295 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.775 2.347 9.894 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.426 2.966 9.655 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.337 4.806 12.141 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.965 5.380 10.578 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.646 6.261 11.385 1.00 0.00 H new ATOM 183 N VAL A 15 7.384 4.850 5.441 1.00 0.00 N ATOM 184 CA VAL A 15 6.846 5.191 4.137 1.00 0.00 C ATOM 185 C VAL A 15 7.036 3.974 3.257 1.00 0.00 C ATOM 186 O VAL A 15 7.938 3.159 3.474 1.00 0.00 O ATOM 187 CB VAL A 15 7.532 6.462 3.582 1.00 0.00 C ATOM 188 CG1 VAL A 15 9.018 6.262 3.250 1.00 0.00 C ATOM 189 CG2 VAL A 15 6.810 7.015 2.345 1.00 0.00 C ATOM 0 H VAL A 15 8.229 4.281 5.395 1.00 0.00 H new ATOM 0 HA VAL A 15 5.785 5.437 4.184 1.00 0.00 H new ATOM 0 HB VAL A 15 7.466 7.186 4.394 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.434 7.194 2.866 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.556 5.969 4.152 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.121 5.481 2.496 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.327 7.907 1.990 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.806 6.261 1.558 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.783 7.271 2.607 1.00 0.00 H new ATOM 199 N PHE A 16 6.142 3.826 2.288 1.00 0.00 N ATOM 200 CA PHE A 16 6.163 2.772 1.304 1.00 0.00 C ATOM 201 C PHE A 16 6.741 3.339 0.022 1.00 0.00 C ATOM 202 O PHE A 16 6.375 4.423 -0.403 1.00 0.00 O ATOM 203 CB PHE A 16 4.771 2.108 1.254 1.00 0.00 C ATOM 204 CG PHE A 16 3.590 2.971 1.618 1.00 0.00 C ATOM 205 CD1 PHE A 16 3.278 4.082 0.845 1.00 0.00 C ATOM 206 CD2 PHE A 16 2.804 2.661 2.748 1.00 0.00 C ATOM 207 CE1 PHE A 16 2.131 4.823 1.116 1.00 0.00 C ATOM 208 CE2 PHE A 16 1.639 3.393 3.017 1.00 0.00 C ATOM 209 CZ PHE A 16 1.291 4.453 2.172 1.00 0.00 C ATOM 0 H PHE A 16 5.356 4.465 2.169 1.00 0.00 H new ATOM 0 HA PHE A 16 6.824 1.939 1.545 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.614 1.726 0.245 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.781 1.248 1.923 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.927 4.372 0.032 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.100 1.858 3.407 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.889 5.684 0.511 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.019 3.142 3.865 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.368 4.989 2.336 1.00 0.00 H new ATOM 219 N GLU A 17 7.717 2.640 -0.554 1.00 0.00 N ATOM 220 CA GLU A 17 8.398 3.104 -1.754 1.00 0.00 C ATOM 221 C GLU A 17 7.837 2.371 -2.972 1.00 0.00 C ATOM 222 O GLU A 17 7.819 1.140 -2.953 1.00 0.00 O ATOM 223 CB GLU A 17 9.937 3.003 -1.557 1.00 0.00 C ATOM 224 CG GLU A 17 10.549 1.694 -1.021 1.00 0.00 C ATOM 225 CD GLU A 17 11.771 1.844 -0.077 1.00 0.00 C ATOM 226 OE1 GLU A 17 12.241 2.977 0.201 1.00 0.00 O ATOM 227 OE2 GLU A 17 12.212 0.787 0.442 1.00 0.00 O ATOM 0 H GLU A 17 8.054 1.743 -0.203 1.00 0.00 H new ATOM 0 HA GLU A 17 8.208 4.161 -1.943 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.404 3.212 -2.520 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.233 3.804 -0.879 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.771 1.145 -0.490 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.847 1.082 -1.872 1.00 0.00 H new ATOM 234 N PRO A 18 7.479 3.096 -4.059 1.00 0.00 N ATOM 235 CA PRO A 18 7.638 4.549 -4.194 1.00 0.00 C ATOM 236 C PRO A 18 6.739 5.583 -3.559 1.00 0.00 C ATOM 237 O PRO A 18 7.029 6.774 -3.505 1.00 0.00 O ATOM 238 CB PRO A 18 7.807 4.819 -5.666 1.00 0.00 C ATOM 239 CG PRO A 18 7.957 3.446 -6.329 1.00 0.00 C ATOM 240 CD PRO A 18 7.211 2.526 -5.366 1.00 0.00 C ATOM 0 HA PRO A 18 8.483 4.729 -3.530 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.946 5.354 -6.066 1.00 0.00 H new ATOM 0 HB3 PRO A 18 8.683 5.440 -5.851 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.519 3.428 -7.327 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.003 3.159 -6.435 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.143 2.505 -5.581 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.571 1.499 -5.435 1.00 0.00 H new ATOM 248 N SER A 19 5.640 5.067 -3.097 1.00 0.00 N ATOM 249 CA SER A 19 4.527 5.667 -2.381 1.00 0.00 C ATOM 250 C SER A 19 3.439 6.088 -3.368 1.00 0.00 C ATOM 251 O SER A 19 2.303 6.427 -3.033 1.00 0.00 O ATOM 252 CB SER A 19 4.854 6.884 -1.491 1.00 0.00 C ATOM 253 OG SER A 19 3.800 7.037 -0.560 1.00 0.00 O ATOM 0 H SER A 19 5.469 4.070 -3.228 1.00 0.00 H new ATOM 0 HA SER A 19 4.205 4.878 -1.701 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.802 6.735 -0.973 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.961 7.783 -2.098 1.00 0.00 H new ATOM 0 HG SER A 19 3.598 6.170 -0.149 1.00 0.00 H new ATOM 259 N THR A 20 3.834 6.146 -4.639 1.00 0.00 N ATOM 260 CA THR A 20 3.014 6.542 -5.769 1.00 0.00 C ATOM 261 C THR A 20 3.570 5.884 -7.003 1.00 0.00 C ATOM 262 O THR A 20 4.774 5.884 -7.259 1.00 0.00 O ATOM 263 CB THR A 20 2.954 8.050 -5.856 1.00 0.00 C ATOM 264 OG1 THR A 20 2.113 8.482 -4.809 1.00 0.00 O ATOM 265 CG2 THR A 20 2.378 8.616 -7.155 1.00 0.00 C ATOM 0 H THR A 20 4.785 5.904 -4.916 1.00 0.00 H new ATOM 0 HA THR A 20 1.982 6.210 -5.655 1.00 0.00 H new ATOM 0 HB THR A 20 3.983 8.404 -5.801 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.013 7.762 -4.152 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.382 9.705 -7.110 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.986 8.285 -7.997 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.355 8.262 -7.284 1.00 0.00 H new ATOM 273 N VAL A 21 2.651 5.250 -7.719 1.00 0.00 N ATOM 274 CA VAL A 21 2.974 4.499 -8.924 1.00 0.00 C ATOM 275 C VAL A 21 1.899 4.573 -9.998 1.00 0.00 C ATOM 276 O VAL A 21 0.785 5.062 -9.777 1.00 0.00 O ATOM 277 CB VAL A 21 3.385 3.059 -8.502 1.00 0.00 C ATOM 278 CG1 VAL A 21 2.192 2.118 -8.286 1.00 0.00 C ATOM 279 CG2 VAL A 21 4.394 2.408 -9.457 1.00 0.00 C ATOM 0 H VAL A 21 1.659 5.242 -7.480 1.00 0.00 H new ATOM 0 HA VAL A 21 3.824 4.961 -9.427 1.00 0.00 H new ATOM 0 HB VAL A 21 3.876 3.202 -7.539 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.554 1.132 -7.994 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.552 2.517 -7.499 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.622 2.035 -9.211 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.636 1.406 -9.103 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.961 2.345 -10.456 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.302 3.010 -9.492 1.00 0.00 H new ATOM 289 N THR A 22 2.290 4.090 -11.175 1.00 0.00 N ATOM 290 CA THR A 22 1.483 4.089 -12.380 1.00 0.00 C ATOM 291 C THR A 22 1.515 2.708 -13.063 1.00 0.00 C ATOM 292 O THR A 22 2.572 2.227 -13.483 1.00 0.00 O ATOM 293 CB THR A 22 1.972 5.263 -13.254 1.00 0.00 C ATOM 294 OG1 THR A 22 1.202 5.342 -14.424 1.00 0.00 O ATOM 295 CG2 THR A 22 3.443 5.203 -13.692 1.00 0.00 C ATOM 0 H THR A 22 3.211 3.675 -11.315 1.00 0.00 H new ATOM 0 HA THR A 22 0.426 4.248 -12.169 1.00 0.00 H new ATOM 0 HB THR A 22 1.864 6.133 -12.607 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.517 6.090 -14.973 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.677 6.076 -14.301 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.085 5.192 -12.811 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.612 4.298 -14.276 1.00 0.00 H new ATOM 303 N ILE A 23 0.343 2.064 -13.099 1.00 0.00 N ATOM 304 CA ILE A 23 0.112 0.750 -13.720 1.00 0.00 C ATOM 305 C ILE A 23 -1.153 0.784 -14.575 1.00 0.00 C ATOM 306 O ILE A 23 -1.812 1.821 -14.617 1.00 0.00 O ATOM 307 CB ILE A 23 -0.002 -0.375 -12.663 1.00 0.00 C ATOM 308 CG1 ILE A 23 -1.104 -0.120 -11.610 1.00 0.00 C ATOM 309 CG2 ILE A 23 1.375 -0.631 -12.034 1.00 0.00 C ATOM 310 CD1 ILE A 23 -1.903 -1.404 -11.371 1.00 0.00 C ATOM 0 H ILE A 23 -0.502 2.455 -12.683 1.00 0.00 H new ATOM 0 HA ILE A 23 0.974 0.532 -14.351 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.324 -1.282 -13.174 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.655 0.219 -10.676 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.768 0.674 -11.951 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.293 -1.423 -11.290 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.079 -0.933 -12.810 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.732 0.281 -11.555 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.678 -1.217 -10.628 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.365 -1.724 -12.305 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.235 -2.186 -11.010 1.00 0.00 H new ATOM 322 N LYS A 24 -1.535 -0.338 -15.213 1.00 0.00 N ATOM 323 CA LYS A 24 -2.771 -0.358 -16.005 1.00 0.00 C ATOM 324 C LYS A 24 -3.865 -1.347 -15.604 1.00 0.00 C ATOM 325 O LYS A 24 -3.755 -2.135 -14.671 1.00 0.00 O ATOM 326 CB LYS A 24 -2.423 -0.456 -17.494 1.00 0.00 C ATOM 327 CG LYS A 24 -2.093 -1.822 -18.099 1.00 0.00 C ATOM 328 CD LYS A 24 -2.655 -1.895 -19.531 1.00 0.00 C ATOM 329 CE LYS A 24 -2.101 -0.821 -20.492 1.00 0.00 C ATOM 330 NZ LYS A 24 -2.888 0.444 -20.502 1.00 0.00 N ATOM 0 H LYS A 24 -1.020 -1.218 -15.196 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.252 0.592 -15.773 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.263 -0.044 -18.054 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.569 0.197 -17.674 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.014 -1.976 -18.111 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.521 -2.616 -17.487 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.437 -2.880 -19.943 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.740 -1.800 -19.487 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.072 -0.595 -20.214 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.076 -1.230 -21.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.779 0.913 -21.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.893 0.229 -20.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.543 1.074 -19.750 1.00 0.00 H new ATOM 344 N ALA A 25 -4.977 -1.247 -16.333 1.00 0.00 N ATOM 345 CA ALA A 25 -6.166 -2.044 -16.123 1.00 0.00 C ATOM 346 C ALA A 25 -5.840 -3.543 -16.297 1.00 0.00 C ATOM 347 O ALA A 25 -5.454 -3.985 -17.383 1.00 0.00 O ATOM 348 CB ALA A 25 -7.253 -1.551 -17.085 1.00 0.00 C ATOM 0 H ALA A 25 -5.069 -0.588 -17.106 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.538 -1.931 -15.105 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.159 -2.140 -16.943 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.467 -0.501 -16.885 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.907 -1.661 -18.113 1.00 0.00 H new ATOM 354 N GLY A 26 -5.969 -4.300 -15.202 1.00 0.00 N ATOM 355 CA GLY A 26 -5.672 -5.728 -15.108 1.00 0.00 C ATOM 356 C GLY A 26 -4.263 -5.997 -14.565 1.00 0.00 C ATOM 357 O GLY A 26 -3.902 -7.147 -14.326 1.00 0.00 O ATOM 0 H GLY A 26 -6.299 -3.913 -14.318 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.406 -6.207 -14.460 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -5.772 -6.183 -16.094 1.00 0.00 H new ATOM 361 N GLU A 27 -3.447 -4.952 -14.404 1.00 0.00 N ATOM 362 CA GLU A 27 -2.098 -5.043 -13.858 1.00 0.00 C ATOM 363 C GLU A 27 -2.085 -5.053 -12.321 1.00 0.00 C ATOM 364 O GLU A 27 -3.046 -4.629 -11.663 1.00 0.00 O ATOM 365 CB GLU A 27 -1.257 -3.908 -14.441 1.00 0.00 C ATOM 366 CG GLU A 27 0.221 -4.080 -14.128 1.00 0.00 C ATOM 367 CD GLU A 27 1.065 -3.339 -15.140 1.00 0.00 C ATOM 368 OE1 GLU A 27 1.025 -2.090 -15.185 1.00 0.00 O ATOM 369 OE2 GLU A 27 1.887 -4.018 -15.780 1.00 0.00 O ATOM 0 H GLU A 27 -3.715 -4.001 -14.656 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.660 -5.998 -14.150 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.397 -3.870 -15.521 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.605 -2.956 -14.041 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.433 -3.707 -13.126 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.480 -5.139 -14.135 1.00 0.00 H new ATOM 376 N GLU A 28 -0.954 -5.515 -11.761 1.00 0.00 N ATOM 377 CA GLU A 28 -0.793 -5.643 -10.318 1.00 0.00 C ATOM 378 C GLU A 28 0.156 -4.610 -9.710 1.00 0.00 C ATOM 379 O GLU A 28 0.948 -3.944 -10.386 1.00 0.00 O ATOM 380 CB GLU A 28 -0.275 -7.055 -9.942 1.00 0.00 C ATOM 381 CG GLU A 28 1.211 -7.263 -9.602 1.00 0.00 C ATOM 382 CD GLU A 28 1.484 -8.679 -9.069 1.00 0.00 C ATOM 383 OE1 GLU A 28 1.005 -9.022 -7.961 1.00 0.00 O ATOM 384 OE2 GLU A 28 2.270 -9.391 -9.737 1.00 0.00 O ATOM 0 H GLU A 28 -0.137 -5.806 -12.298 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.787 -5.470 -9.906 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.855 -7.395 -9.084 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.514 -7.720 -10.772 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.815 -7.087 -10.492 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.519 -6.529 -8.857 1.00 0.00 H new ATOM 391 N VAL A 29 0.071 -4.561 -8.380 1.00 0.00 N ATOM 392 CA VAL A 29 0.846 -3.754 -7.464 1.00 0.00 C ATOM 393 C VAL A 29 1.048 -4.633 -6.211 1.00 0.00 C ATOM 394 O VAL A 29 0.136 -4.741 -5.378 1.00 0.00 O ATOM 395 CB VAL A 29 0.082 -2.482 -7.103 1.00 0.00 C ATOM 396 CG1 VAL A 29 0.943 -1.606 -6.184 1.00 0.00 C ATOM 397 CG2 VAL A 29 -0.335 -1.631 -8.309 1.00 0.00 C ATOM 0 H VAL A 29 -0.605 -5.140 -7.882 1.00 0.00 H new ATOM 0 HA VAL A 29 1.796 -3.445 -7.899 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.831 -2.821 -6.613 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.395 -0.699 -5.928 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.179 -2.156 -5.273 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.867 -1.339 -6.697 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.872 -0.748 -7.963 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.553 -1.323 -8.861 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.983 -2.217 -8.961 1.00 0.00 H new ATOM 407 N LYS A 30 2.210 -5.302 -6.094 1.00 0.00 N ATOM 408 CA LYS A 30 2.515 -6.213 -4.969 1.00 0.00 C ATOM 409 C LYS A 30 3.381 -5.549 -3.883 1.00 0.00 C ATOM 410 O LYS A 30 4.573 -5.301 -4.046 1.00 0.00 O ATOM 411 CB LYS A 30 3.101 -7.543 -5.507 1.00 0.00 C ATOM 412 CG LYS A 30 4.616 -7.583 -5.757 1.00 0.00 C ATOM 413 CD LYS A 30 5.104 -8.761 -6.604 1.00 0.00 C ATOM 414 CE LYS A 30 4.685 -8.658 -8.071 1.00 0.00 C ATOM 415 NZ LYS A 30 5.151 -7.408 -8.714 1.00 0.00 N ATOM 0 H LYS A 30 2.965 -5.228 -6.775 1.00 0.00 H new ATOM 0 HA LYS A 30 1.582 -6.453 -4.458 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.853 -8.334 -4.799 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.596 -7.782 -6.443 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.912 -6.656 -6.248 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.127 -7.612 -4.794 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.191 -8.817 -6.546 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.714 -9.689 -6.185 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.082 -9.513 -8.618 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.598 -8.713 -8.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.294 -7.573 -9.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.438 -6.663 -8.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.048 -7.109 -8.282 1.00 0.00 H new ATOM 429 N TRP A 31 2.784 -5.226 -2.741 1.00 0.00 N ATOM 430 CA TRP A 31 3.436 -4.606 -1.590 1.00 0.00 C ATOM 431 C TRP A 31 3.703 -5.448 -0.362 1.00 0.00 C ATOM 432 O TRP A 31 2.828 -6.010 0.306 1.00 0.00 O ATOM 433 CB TRP A 31 2.760 -3.271 -1.286 1.00 0.00 C ATOM 434 CG TRP A 31 1.333 -2.976 -1.605 1.00 0.00 C ATOM 435 CD1 TRP A 31 0.348 -3.759 -2.105 1.00 0.00 C ATOM 436 CD2 TRP A 31 0.922 -1.625 -1.891 1.00 0.00 C ATOM 437 NE1 TRP A 31 -0.560 -2.972 -2.781 1.00 0.00 N ATOM 438 CE2 TRP A 31 -0.249 -1.643 -2.687 1.00 0.00 C ATOM 439 CE3 TRP A 31 1.544 -0.392 -1.653 1.00 0.00 C ATOM 440 CZ2 TRP A 31 -0.808 -0.482 -3.222 1.00 0.00 C ATOM 441 CZ3 TRP A 31 1.028 0.771 -2.234 1.00 0.00 C ATOM 442 CH2 TRP A 31 -0.159 0.741 -2.983 1.00 0.00 C ATOM 0 H TRP A 31 1.791 -5.396 -2.584 1.00 0.00 H new ATOM 0 HA TRP A 31 4.466 -4.452 -1.912 1.00 0.00 H new ATOM 0 HB2 TRP A 31 2.875 -3.107 -0.215 1.00 0.00 H new ATOM 0 HB3 TRP A 31 3.351 -2.507 -1.791 1.00 0.00 H new ATOM 0 HD1 TRP A 31 0.284 -4.831 -1.992 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -1.366 -3.336 -3.289 1.00 0.00 H new ATOM 0 HE3 TRP A 31 2.419 -0.340 -1.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -1.716 -0.522 -3.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 1.551 1.707 -2.104 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -0.573 1.658 -3.375 1.00 0.00 H new ATOM 453 N VAL A 32 5.016 -5.431 -0.096 1.00 0.00 N ATOM 454 CA VAL A 32 5.756 -6.137 0.939 1.00 0.00 C ATOM 455 C VAL A 32 6.146 -5.255 2.110 1.00 0.00 C ATOM 456 O VAL A 32 6.347 -4.049 1.996 1.00 0.00 O ATOM 457 CB VAL A 32 7.026 -6.737 0.283 1.00 0.00 C ATOM 458 CG1 VAL A 32 7.831 -7.683 1.199 1.00 0.00 C ATOM 459 CG2 VAL A 32 6.749 -7.528 -1.013 1.00 0.00 C ATOM 0 H VAL A 32 5.643 -4.861 -0.664 1.00 0.00 H new ATOM 0 HA VAL A 32 5.109 -6.911 1.352 1.00 0.00 H new ATOM 0 HB VAL A 32 7.606 -5.839 0.068 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.702 -8.057 0.661 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.158 -7.140 2.086 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.202 -8.521 1.499 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.687 -7.915 -1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.077 -8.358 -0.796 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.287 -6.870 -1.749 1.00 0.00 H new ATOM 469 N ASN A 33 6.283 -5.936 3.237 1.00 0.00 N ATOM 470 CA ASN A 33 6.685 -5.522 4.575 1.00 0.00 C ATOM 471 C ASN A 33 8.220 -5.593 4.622 1.00 0.00 C ATOM 472 O ASN A 33 8.789 -6.686 4.632 1.00 0.00 O ATOM 473 CB ASN A 33 5.944 -6.532 5.452 1.00 0.00 C ATOM 474 CG ASN A 33 6.329 -6.644 6.893 1.00 0.00 C ATOM 475 OD1 ASN A 33 7.467 -6.518 7.291 1.00 0.00 O ATOM 476 ND2 ASN A 33 5.371 -6.921 7.736 1.00 0.00 N ATOM 0 H ASN A 33 6.086 -6.937 3.233 1.00 0.00 H new ATOM 0 HA ASN A 33 6.442 -4.509 4.896 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.882 -6.291 5.411 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.065 -7.516 4.999 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.581 -7.031 8.728 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.413 -7.027 7.402 1.00 0.00 H new ATOM 483 N ASN A 34 8.909 -4.446 4.637 1.00 0.00 N ATOM 484 CA ASN A 34 10.372 -4.387 4.629 1.00 0.00 C ATOM 485 C ASN A 34 11.026 -3.690 5.833 1.00 0.00 C ATOM 486 O ASN A 34 12.156 -4.071 6.182 1.00 0.00 O ATOM 487 CB ASN A 34 10.782 -3.729 3.302 1.00 0.00 C ATOM 488 CG ASN A 34 12.283 -3.514 3.186 1.00 0.00 C ATOM 489 OD1 ASN A 34 13.030 -4.374 2.748 1.00 0.00 O ATOM 490 ND2 ASN A 34 12.773 -2.339 3.542 1.00 0.00 N ATOM 0 H ASN A 34 8.463 -3.529 4.655 1.00 0.00 H new ATOM 0 HA ASN A 34 10.744 -5.407 4.720 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.444 -4.352 2.474 1.00 0.00 H new ATOM 0 HB3 ASN A 34 10.274 -2.769 3.206 1.00 0.00 H new ATOM 0 HD21 ASN A 34 13.772 -2.154 3.450 1.00 0.00 H new ATOM 0 HD22 ASN A 34 12.152 -1.617 3.909 1.00 0.00 H new ATOM 497 N LYS A 35 10.405 -2.664 6.441 1.00 0.00 N ATOM 498 CA LYS A 35 11.057 -2.053 7.612 1.00 0.00 C ATOM 499 C LYS A 35 10.150 -1.320 8.583 1.00 0.00 C ATOM 500 O LYS A 35 9.052 -0.884 8.260 1.00 0.00 O ATOM 501 CB LYS A 35 12.250 -1.164 7.176 1.00 0.00 C ATOM 502 CG LYS A 35 13.379 -1.186 8.228 1.00 0.00 C ATOM 503 CD LYS A 35 14.799 -1.131 7.649 1.00 0.00 C ATOM 504 CE LYS A 35 15.402 -2.501 7.278 1.00 0.00 C ATOM 505 NZ LYS A 35 14.798 -3.153 6.088 1.00 0.00 N ATOM 0 H LYS A 35 9.510 -2.261 6.165 1.00 0.00 H new ATOM 0 HA LYS A 35 11.416 -2.904 8.191 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.636 -1.513 6.218 1.00 0.00 H new ATOM 0 HB3 LYS A 35 11.908 -0.140 7.028 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.244 -0.341 8.903 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.281 -2.091 8.827 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.789 -0.502 6.759 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.453 -0.647 8.374 1.00 0.00 H new ATOM 0 HE2 LYS A 35 16.470 -2.375 7.101 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.297 -3.170 8.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.362 -3.987 5.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.826 -3.448 6.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.783 -2.481 5.294 1.00 0.00 H new ATOM 519 N LEU A 36 10.672 -1.225 9.807 1.00 0.00 N ATOM 520 CA LEU A 36 10.093 -0.640 11.009 1.00 0.00 C ATOM 521 C LEU A 36 8.598 -0.979 11.183 1.00 0.00 C ATOM 522 O LEU A 36 7.725 -0.124 11.282 1.00 0.00 O ATOM 523 CB LEU A 36 10.451 0.856 11.025 1.00 0.00 C ATOM 524 CG LEU A 36 10.256 1.543 12.394 1.00 0.00 C ATOM 525 CD1 LEU A 36 11.036 0.877 13.531 1.00 0.00 C ATOM 526 CD2 LEU A 36 10.752 2.982 12.300 1.00 0.00 C ATOM 0 H LEU A 36 11.604 -1.594 9.996 1.00 0.00 H new ATOM 0 HA LEU A 36 10.525 -1.088 11.904 1.00 0.00 H new ATOM 0 HB2 LEU A 36 11.491 0.972 10.719 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.841 1.371 10.283 1.00 0.00 H new ATOM 0 HG LEU A 36 9.192 1.472 12.622 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.851 1.413 14.462 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.711 -0.158 13.638 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.102 0.901 13.304 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.619 3.476 13.262 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.809 2.986 12.033 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.183 3.514 11.537 1.00 0.00 H new ATOM 538 N SER A 37 8.388 -2.297 11.224 1.00 0.00 N ATOM 539 CA SER A 37 7.175 -3.096 11.418 1.00 0.00 C ATOM 540 C SER A 37 6.502 -2.789 12.765 1.00 0.00 C ATOM 541 O SER A 37 7.190 -2.480 13.746 1.00 0.00 O ATOM 542 CB SER A 37 7.566 -4.582 11.394 1.00 0.00 C ATOM 543 OG SER A 37 8.643 -4.808 10.495 1.00 0.00 O ATOM 0 H SER A 37 9.187 -2.920 11.103 1.00 0.00 H new ATOM 0 HA SER A 37 6.471 -2.853 10.622 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.850 -4.904 12.396 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.707 -5.184 11.097 1.00 0.00 H new ATOM 0 HG SER A 37 8.876 -5.760 10.497 1.00 0.00 H new ATOM 549 N PRO A 38 5.168 -2.951 12.860 1.00 0.00 N ATOM 550 CA PRO A 38 4.221 -3.355 11.810 1.00 0.00 C ATOM 551 C PRO A 38 3.984 -2.237 10.773 1.00 0.00 C ATOM 552 O PRO A 38 4.489 -1.124 10.875 1.00 0.00 O ATOM 553 CB PRO A 38 2.942 -3.719 12.564 1.00 0.00 C ATOM 554 CG PRO A 38 2.959 -2.755 13.747 1.00 0.00 C ATOM 555 CD PRO A 38 4.444 -2.689 14.098 1.00 0.00 C ATOM 0 HA PRO A 38 4.601 -4.191 11.222 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.055 -3.583 11.945 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.947 -4.759 12.890 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.562 -1.776 13.479 1.00 0.00 H new ATOM 0 HG3 PRO A 38 2.361 -3.124 14.580 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.705 -1.711 14.502 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.697 -3.426 14.860 1.00 0.00 H new ATOM 563 N HIS A 39 3.212 -2.624 9.759 1.00 0.00 N ATOM 564 CA HIS A 39 2.687 -1.930 8.585 1.00 0.00 C ATOM 565 C HIS A 39 1.345 -2.458 8.087 1.00 0.00 C ATOM 566 O HIS A 39 0.943 -3.549 8.468 1.00 0.00 O ATOM 567 CB HIS A 39 3.775 -1.852 7.488 1.00 0.00 C ATOM 568 CG HIS A 39 4.868 -2.903 7.367 1.00 0.00 C ATOM 569 ND1 HIS A 39 5.094 -3.957 8.214 1.00 0.00 N ATOM 570 CD2 HIS A 39 6.108 -2.592 6.864 1.00 0.00 C ATOM 571 CE1 HIS A 39 6.411 -4.155 8.309 1.00 0.00 C ATOM 572 NE2 HIS A 39 7.071 -3.393 7.447 1.00 0.00 N ATOM 0 H HIS A 39 2.890 -3.592 9.744 1.00 0.00 H new ATOM 0 HA HIS A 39 2.445 -0.912 8.892 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.256 -1.826 6.530 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.274 -0.890 7.607 1.00 0.00 H new ATOM 0 HD1 HIS A 39 4.375 -4.500 8.692 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.302 -1.832 6.121 1.00 0.00 H new ATOM 0 HE1 HIS A 39 6.877 -4.845 8.997 1.00 0.00 H new ATOM 580 N ASN A 40 0.603 -1.678 7.283 1.00 0.00 N ATOM 581 CA ASN A 40 -0.726 -2.045 6.787 1.00 0.00 C ATOM 582 C ASN A 40 -1.065 -1.368 5.446 1.00 0.00 C ATOM 583 O ASN A 40 -0.473 -0.349 5.081 1.00 0.00 O ATOM 584 CB ASN A 40 -1.654 -1.649 7.970 1.00 0.00 C ATOM 585 CG ASN A 40 -3.130 -1.464 7.702 1.00 0.00 C ATOM 586 OD1 ASN A 40 -3.548 -0.374 7.349 1.00 0.00 O ATOM 587 ND2 ASN A 40 -3.981 -2.446 7.904 1.00 0.00 N ATOM 0 H ASN A 40 0.917 -0.764 6.957 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.827 -3.100 6.532 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.551 -2.412 8.741 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.275 -0.718 8.391 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -4.980 -2.292 7.765 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -3.642 -3.362 8.199 1.00 0.00 H new ATOM 594 N ILE A 41 -2.027 -1.957 4.721 1.00 0.00 N ATOM 595 CA ILE A 41 -2.504 -1.432 3.458 1.00 0.00 C ATOM 596 C ILE A 41 -3.999 -1.141 3.529 1.00 0.00 C ATOM 597 O ILE A 41 -4.801 -2.065 3.562 1.00 0.00 O ATOM 598 CB ILE A 41 -2.135 -2.337 2.247 1.00 0.00 C ATOM 599 CG1 ILE A 41 -0.609 -2.455 2.025 1.00 0.00 C ATOM 600 CG2 ILE A 41 -2.802 -1.643 1.019 1.00 0.00 C ATOM 601 CD1 ILE A 41 -0.031 -3.687 2.740 1.00 0.00 C ATOM 0 H ILE A 41 -2.492 -2.818 5.008 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.986 -0.489 3.282 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.481 -3.358 2.411 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.399 -2.521 0.957 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.116 -1.555 2.392 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.591 -2.218 0.117 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.880 -1.590 1.172 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.402 -0.635 0.909 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.043 -3.740 2.563 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.219 -3.608 3.811 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.507 -4.588 2.354 1.00 0.00 H new ATOM 613 N VAL A 42 -4.384 0.147 3.539 1.00 0.00 N ATOM 614 CA VAL A 42 -5.790 0.593 3.555 1.00 0.00 C ATOM 615 C VAL A 42 -6.095 1.723 2.547 1.00 0.00 C ATOM 616 O VAL A 42 -5.589 2.838 2.663 1.00 0.00 O ATOM 617 CB VAL A 42 -6.266 0.996 4.965 1.00 0.00 C ATOM 618 CG1 VAL A 42 -6.486 -0.251 5.833 1.00 0.00 C ATOM 619 CG2 VAL A 42 -5.374 1.987 5.725 1.00 0.00 C ATOM 0 H VAL A 42 -3.718 0.920 3.536 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.356 -0.282 3.237 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.198 1.530 4.783 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.822 0.051 6.825 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.242 -0.887 5.372 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.551 -0.804 5.919 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.811 2.194 6.702 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.381 1.557 5.855 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.296 2.915 5.158 1.00 0.00 H new ATOM 629 N PHE A 43 -6.918 1.429 1.535 1.00 0.00 N ATOM 630 CA PHE A 43 -7.362 2.370 0.512 1.00 0.00 C ATOM 631 C PHE A 43 -8.511 3.225 1.039 1.00 0.00 C ATOM 632 O PHE A 43 -9.457 2.717 1.660 1.00 0.00 O ATOM 633 CB PHE A 43 -7.791 1.633 -0.762 1.00 0.00 C ATOM 634 CG PHE A 43 -6.618 1.296 -1.653 1.00 0.00 C ATOM 635 CD1 PHE A 43 -5.964 2.331 -2.345 1.00 0.00 C ATOM 636 CD2 PHE A 43 -6.201 -0.035 -1.830 1.00 0.00 C ATOM 637 CE1 PHE A 43 -4.891 2.048 -3.199 1.00 0.00 C ATOM 638 CE2 PHE A 43 -5.123 -0.321 -2.684 1.00 0.00 C ATOM 639 CZ PHE A 43 -4.456 0.723 -3.345 1.00 0.00 C ATOM 0 H PHE A 43 -7.305 0.494 1.405 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.523 3.021 0.264 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.313 0.716 -0.490 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.499 2.250 -1.315 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.292 3.352 -2.217 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.708 -0.835 -1.311 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.402 2.844 -3.741 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.807 -1.343 -2.832 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.603 0.504 -3.970 1.00 0.00 H new ATOM 649 N ALA A 44 -8.403 4.531 0.776 1.00 0.00 N ATOM 650 CA ALA A 44 -9.393 5.542 1.147 1.00 0.00 C ATOM 651 C ALA A 44 -10.745 5.379 0.421 1.00 0.00 C ATOM 652 O ALA A 44 -11.712 6.055 0.775 1.00 0.00 O ATOM 653 CB ALA A 44 -8.801 6.928 0.852 1.00 0.00 C ATOM 0 H ALA A 44 -7.600 4.924 0.285 1.00 0.00 H new ATOM 0 HA ALA A 44 -9.609 5.419 2.208 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.524 7.698 1.122 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.890 7.066 1.434 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.568 7.006 -0.210 1.00 0.00 H new ATOM 659 N ALA A 45 -10.790 4.516 -0.605 1.00 0.00 N ATOM 660 CA ALA A 45 -11.918 4.122 -1.445 1.00 0.00 C ATOM 661 C ALA A 45 -12.157 4.989 -2.654 1.00 0.00 C ATOM 662 O ALA A 45 -12.748 4.521 -3.632 1.00 0.00 O ATOM 663 CB ALA A 45 -13.225 3.975 -0.638 1.00 0.00 C ATOM 0 H ALA A 45 -9.942 4.027 -0.893 1.00 0.00 H new ATOM 0 HA ALA A 45 -11.615 3.148 -1.829 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -14.034 3.681 -1.306 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -13.094 3.213 0.131 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -13.471 4.927 -0.167 1.00 0.00 H new ATOM 669 N ASP A 46 -11.680 6.227 -2.583 1.00 0.00 N ATOM 670 CA ASP A 46 -11.794 7.303 -3.540 1.00 0.00 C ATOM 671 C ASP A 46 -13.241 7.527 -4.070 1.00 0.00 C ATOM 672 O ASP A 46 -13.475 8.534 -4.732 1.00 0.00 O ATOM 673 CB ASP A 46 -10.729 7.142 -4.662 1.00 0.00 C ATOM 674 CG ASP A 46 -9.357 7.759 -4.294 1.00 0.00 C ATOM 675 OD1 ASP A 46 -8.807 7.479 -3.202 1.00 0.00 O ATOM 676 OD2 ASP A 46 -8.774 8.535 -5.091 1.00 0.00 O ATOM 0 H ASP A 46 -11.149 6.524 -1.764 1.00 0.00 H new ATOM 0 HA ASP A 46 -11.576 8.232 -3.014 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.597 6.082 -4.879 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.098 7.611 -5.574 1.00 0.00 H new ATOM 681 N GLY A 47 -14.236 6.671 -3.733 1.00 0.00 N ATOM 682 CA GLY A 47 -15.655 6.769 -4.112 1.00 0.00 C ATOM 683 C GLY A 47 -16.095 5.776 -5.177 1.00 0.00 C ATOM 684 O GLY A 47 -17.294 5.572 -5.373 1.00 0.00 O ATOM 0 H GLY A 47 -14.053 5.849 -3.157 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -16.266 6.622 -3.222 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.853 7.779 -4.471 1.00 0.00 H new ATOM 688 N VAL A 48 -15.112 5.163 -5.840 1.00 0.00 N ATOM 689 CA VAL A 48 -15.311 4.210 -6.929 1.00 0.00 C ATOM 690 C VAL A 48 -14.535 2.908 -6.781 1.00 0.00 C ATOM 691 O VAL A 48 -14.959 1.891 -7.330 1.00 0.00 O ATOM 692 CB VAL A 48 -14.920 4.865 -8.274 1.00 0.00 C ATOM 693 CG1 VAL A 48 -13.414 5.152 -8.421 1.00 0.00 C ATOM 694 CG2 VAL A 48 -15.364 4.059 -9.501 1.00 0.00 C ATOM 0 H VAL A 48 -14.127 5.322 -5.626 1.00 0.00 H new ATOM 0 HA VAL A 48 -16.369 3.950 -6.897 1.00 0.00 H new ATOM 0 HB VAL A 48 -15.460 5.811 -8.242 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -13.224 5.611 -9.391 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -13.094 5.830 -7.630 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -12.857 4.218 -8.346 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -15.056 4.578 -10.408 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -14.903 3.072 -9.474 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -16.449 3.953 -9.494 1.00 0.00 H new ATOM 704 N ASP A 49 -13.406 2.918 -6.063 1.00 0.00 N ATOM 705 CA ASP A 49 -12.592 1.716 -5.933 1.00 0.00 C ATOM 706 C ASP A 49 -13.237 0.692 -4.979 1.00 0.00 C ATOM 707 O ASP A 49 -13.991 1.068 -4.070 1.00 0.00 O ATOM 708 CB ASP A 49 -11.137 2.137 -5.571 1.00 0.00 C ATOM 709 CG ASP A 49 -10.582 1.791 -4.173 1.00 0.00 C ATOM 710 OD1 ASP A 49 -10.590 0.598 -3.813 1.00 0.00 O ATOM 711 OD2 ASP A 49 -10.067 2.698 -3.474 1.00 0.00 O ATOM 0 H ASP A 49 -13.044 3.735 -5.572 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.539 1.181 -6.881 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.472 1.689 -6.309 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.067 3.218 -5.694 1.00 0.00 H new ATOM 716 N ALA A 50 -13.022 -0.610 -5.219 1.00 0.00 N ATOM 717 CA ALA A 50 -13.560 -1.628 -4.318 1.00 0.00 C ATOM 718 C ALA A 50 -12.676 -1.665 -3.064 1.00 0.00 C ATOM 719 O ALA A 50 -11.970 -2.651 -2.821 1.00 0.00 O ATOM 720 CB ALA A 50 -13.667 -2.973 -5.046 1.00 0.00 C ATOM 0 H ALA A 50 -12.492 -0.973 -6.011 1.00 0.00 H new ATOM 0 HA ALA A 50 -14.575 -1.390 -4.000 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -14.069 -3.724 -4.366 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -14.330 -2.870 -5.905 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.679 -3.283 -5.385 1.00 0.00 H new ATOM 726 N ASP A 51 -12.749 -0.613 -2.233 1.00 0.00 N ATOM 727 CA ASP A 51 -11.912 -0.517 -1.039 1.00 0.00 C ATOM 728 C ASP A 51 -11.939 -1.758 -0.150 1.00 0.00 C ATOM 729 O ASP A 51 -10.911 -2.240 0.332 1.00 0.00 O ATOM 730 CB ASP A 51 -12.281 0.745 -0.257 1.00 0.00 C ATOM 731 CG ASP A 51 -13.575 0.639 0.565 1.00 0.00 C ATOM 732 OD1 ASP A 51 -14.595 0.190 0.003 1.00 0.00 O ATOM 733 OD2 ASP A 51 -13.530 0.959 1.776 1.00 0.00 O ATOM 0 H ASP A 51 -13.379 0.178 -2.370 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.880 -0.451 -1.382 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -11.459 0.992 0.415 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -12.379 1.574 -0.958 1.00 0.00 H new ATOM 738 N THR A 52 -13.140 -2.306 0.030 1.00 0.00 N ATOM 739 CA THR A 52 -13.382 -3.482 0.870 1.00 0.00 C ATOM 740 C THR A 52 -12.859 -4.806 0.288 1.00 0.00 C ATOM 741 O THR A 52 -13.047 -5.848 0.919 1.00 0.00 O ATOM 742 CB THR A 52 -14.879 -3.581 1.223 1.00 0.00 C ATOM 743 OG1 THR A 52 -15.085 -4.634 2.136 1.00 0.00 O ATOM 744 CG2 THR A 52 -15.775 -3.847 0.007 1.00 0.00 C ATOM 0 H THR A 52 -13.985 -1.942 -0.409 1.00 0.00 H new ATOM 0 HA THR A 52 -12.797 -3.328 1.777 1.00 0.00 H new ATOM 0 HB THR A 52 -15.151 -2.614 1.645 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.425 -5.340 1.975 1.00 0.00 H new ATOM 0 HG21 THR A 52 -16.815 -3.905 0.327 1.00 0.00 H new ATOM 0 HG22 THR A 52 -15.662 -3.036 -0.713 1.00 0.00 H new ATOM 0 HG23 THR A 52 -15.486 -4.789 -0.459 1.00 0.00 H new ATOM 752 N ALA A 53 -12.243 -4.798 -0.893 1.00 0.00 N ATOM 753 CA ALA A 53 -11.656 -5.968 -1.548 1.00 0.00 C ATOM 754 C ALA A 53 -10.203 -5.731 -1.984 1.00 0.00 C ATOM 755 O ALA A 53 -9.452 -6.692 -2.145 1.00 0.00 O ATOM 756 CB ALA A 53 -12.534 -6.357 -2.744 1.00 0.00 C ATOM 0 H ALA A 53 -12.134 -3.945 -1.441 1.00 0.00 H new ATOM 0 HA ALA A 53 -11.624 -6.786 -0.828 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -12.107 -7.228 -3.241 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -13.539 -6.594 -2.396 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.581 -5.525 -3.447 1.00 0.00 H new ATOM 762 N ALA A 54 -9.780 -4.469 -2.105 1.00 0.00 N ATOM 763 CA ALA A 54 -8.455 -4.080 -2.549 1.00 0.00 C ATOM 764 C ALA A 54 -7.528 -3.704 -1.391 1.00 0.00 C ATOM 765 O ALA A 54 -6.365 -3.416 -1.654 1.00 0.00 O ATOM 766 CB ALA A 54 -8.625 -2.909 -3.529 1.00 0.00 C ATOM 0 H ALA A 54 -10.376 -3.671 -1.887 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.975 -4.929 -3.037 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.646 -2.588 -3.886 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -9.233 -3.228 -4.376 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.117 -2.079 -3.022 1.00 0.00 H new ATOM 772 N LYS A 55 -7.979 -3.761 -0.128 1.00 0.00 N ATOM 773 CA LYS A 55 -7.173 -3.368 1.031 1.00 0.00 C ATOM 774 C LYS A 55 -7.228 -4.380 2.206 1.00 0.00 C ATOM 775 O LYS A 55 -8.037 -5.306 2.189 1.00 0.00 O ATOM 776 CB LYS A 55 -7.624 -1.927 1.331 1.00 0.00 C ATOM 777 CG LYS A 55 -8.673 -1.799 2.457 1.00 0.00 C ATOM 778 CD LYS A 55 -9.346 -0.417 2.465 1.00 0.00 C ATOM 779 CE LYS A 55 -10.782 -0.446 2.985 1.00 0.00 C ATOM 780 NZ LYS A 55 -11.298 0.933 3.152 1.00 0.00 N ATOM 0 H LYS A 55 -8.916 -4.082 0.115 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.101 -3.387 0.834 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.749 -1.336 1.600 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.035 -1.492 0.420 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.433 -2.571 2.334 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.194 -1.974 3.420 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.757 0.262 3.082 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.342 -0.013 1.453 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.416 -0.997 2.290 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.820 -0.973 3.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.299 0.965 2.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.208 1.219 4.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.750 1.584 2.554 1.00 0.00 H new ATOM 794 N LEU A 56 -6.353 -4.231 3.212 1.00 0.00 N ATOM 795 CA LEU A 56 -6.303 -5.074 4.422 1.00 0.00 C ATOM 796 C LEU A 56 -7.480 -4.788 5.375 1.00 0.00 C ATOM 797 O LEU A 56 -8.087 -3.723 5.332 1.00 0.00 O ATOM 798 CB LEU A 56 -4.990 -4.917 5.213 1.00 0.00 C ATOM 799 CG LEU A 56 -3.757 -5.470 4.490 1.00 0.00 C ATOM 800 CD1 LEU A 56 -2.539 -5.410 5.435 1.00 0.00 C ATOM 801 CD2 LEU A 56 -3.879 -6.919 4.001 1.00 0.00 C ATOM 0 H LEU A 56 -5.640 -3.502 3.209 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.368 -6.097 4.051 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.830 -3.860 5.426 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.093 -5.423 6.173 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.648 -4.841 3.606 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.661 -5.803 4.922 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.356 -4.376 5.727 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.738 -6.009 6.324 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.955 -7.214 3.504 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.059 -7.576 4.852 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.710 -6.998 3.300 1.00 0.00 H new ATOM 813 N SER A 57 -7.745 -5.699 6.322 1.00 0.00 N ATOM 814 CA SER A 57 -8.822 -5.708 7.328 1.00 0.00 C ATOM 815 C SER A 57 -8.807 -4.652 8.410 1.00 0.00 C ATOM 816 O SER A 57 -9.324 -4.923 9.490 1.00 0.00 O ATOM 817 CB SER A 57 -8.942 -7.123 7.948 1.00 0.00 C ATOM 818 OG SER A 57 -8.550 -8.165 7.068 1.00 0.00 O ATOM 0 H SER A 57 -7.156 -6.527 6.413 1.00 0.00 H new ATOM 0 HA SER A 57 -9.705 -5.430 6.752 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.329 -7.169 8.848 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.974 -7.289 8.257 1.00 0.00 H new ATOM 0 HG SER A 57 -8.648 -9.029 7.520 1.00 0.00 H new ATOM 824 N HIS A 58 -8.265 -3.473 8.070 1.00 0.00 N ATOM 825 CA HIS A 58 -7.976 -2.194 8.736 1.00 0.00 C ATOM 826 C HIS A 58 -7.205 -2.400 10.025 1.00 0.00 C ATOM 827 O HIS A 58 -6.180 -1.765 10.278 1.00 0.00 O ATOM 828 CB HIS A 58 -9.237 -1.321 8.947 1.00 0.00 C ATOM 829 CG HIS A 58 -9.465 -0.320 7.831 1.00 0.00 C ATOM 830 ND1 HIS A 58 -9.053 1.006 7.786 1.00 0.00 N ATOM 831 CD2 HIS A 58 -10.081 -0.593 6.639 1.00 0.00 C ATOM 832 CE1 HIS A 58 -9.401 1.500 6.586 1.00 0.00 C ATOM 833 NE2 HIS A 58 -10.037 0.569 5.858 1.00 0.00 N ATOM 0 H HIS A 58 -7.953 -3.386 7.103 1.00 0.00 H new ATOM 0 HA HIS A 58 -7.336 -1.631 8.056 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -10.110 -1.969 9.029 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -9.147 -0.787 9.893 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -8.573 1.513 8.530 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -10.522 -1.536 6.352 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -9.197 2.507 6.253 1.00 0.00 H new ATOM 841 N LYS A 59 -7.712 -3.335 10.812 1.00 0.00 N ATOM 842 CA LYS A 59 -7.177 -3.793 12.061 1.00 0.00 C ATOM 843 C LYS A 59 -6.190 -4.930 11.737 1.00 0.00 C ATOM 844 O LYS A 59 -5.324 -5.211 12.571 1.00 0.00 O ATOM 845 CB LYS A 59 -8.349 -4.204 12.975 1.00 0.00 C ATOM 846 CG LYS A 59 -8.026 -4.889 14.316 1.00 0.00 C ATOM 847 CD LYS A 59 -7.482 -3.977 15.431 1.00 0.00 C ATOM 848 CE LYS A 59 -5.999 -3.589 15.336 1.00 0.00 C ATOM 849 NZ LYS A 59 -5.110 -4.772 15.255 1.00 0.00 N ATOM 0 H LYS A 59 -8.573 -3.823 10.566 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.627 -3.027 12.607 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.931 -3.308 13.191 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.994 -4.874 12.407 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.932 -5.373 14.681 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -7.296 -5.677 14.131 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.074 -3.062 15.443 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.644 -4.474 16.388 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.846 -2.962 14.458 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.726 -2.992 16.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.252 -4.601 15.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.607 -5.606 15.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.846 -4.940 14.263 1.00 0.00 H new ATOM 863 N GLY A 60 -6.312 -5.592 10.564 1.00 0.00 N ATOM 864 CA GLY A 60 -5.377 -6.654 10.137 1.00 0.00 C ATOM 865 C GLY A 60 -4.075 -5.980 9.682 1.00 0.00 C ATOM 866 O GLY A 60 -4.125 -4.869 9.161 1.00 0.00 O ATOM 0 H GLY A 60 -7.056 -5.406 9.892 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.183 -7.344 10.958 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.809 -7.238 9.324 1.00 0.00 H new ATOM 870 N LEU A 61 -2.904 -6.621 9.793 1.00 0.00 N ATOM 871 CA LEU A 61 -1.630 -5.965 9.415 1.00 0.00 C ATOM 872 C LEU A 61 -0.494 -6.883 8.978 1.00 0.00 C ATOM 873 O LEU A 61 -0.634 -8.105 8.996 1.00 0.00 O ATOM 874 CB LEU A 61 -1.226 -5.028 10.589 1.00 0.00 C ATOM 875 CG LEU A 61 -0.296 -5.578 11.697 1.00 0.00 C ATOM 876 CD1 LEU A 61 -0.371 -4.641 12.908 1.00 0.00 C ATOM 877 CD2 LEU A 61 -0.677 -6.968 12.228 1.00 0.00 C ATOM 0 H LEU A 61 -2.804 -7.577 10.135 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.814 -5.404 8.499 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.744 -4.150 10.159 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.143 -4.685 11.068 1.00 0.00 H new ATOM 0 HG LEU A 61 0.690 -5.646 11.236 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.280 -5.015 13.698 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.049 -3.642 12.615 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.397 -4.599 13.272 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.031 -7.269 13.000 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.681 -6.933 12.650 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.652 -7.689 11.411 1.00 0.00 H new ATOM 889 N ALA A 62 0.626 -6.252 8.585 1.00 0.00 N ATOM 890 CA ALA A 62 1.848 -6.894 8.182 1.00 0.00 C ATOM 891 C ALA A 62 2.797 -6.579 9.330 1.00 0.00 C ATOM 892 O ALA A 62 3.248 -5.446 9.504 1.00 0.00 O ATOM 893 CB ALA A 62 2.230 -6.397 6.783 1.00 0.00 C ATOM 0 H ALA A 62 0.687 -5.235 8.545 1.00 0.00 H new ATOM 0 HA ALA A 62 1.823 -7.975 8.047 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.156 -6.877 6.466 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.435 -6.643 6.080 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.372 -5.316 6.807 1.00 0.00 H new ATOM 899 N PHE A 63 3.043 -7.581 10.168 1.00 0.00 N ATOM 900 CA PHE A 63 3.887 -7.471 11.360 1.00 0.00 C ATOM 901 C PHE A 63 5.296 -8.059 11.236 1.00 0.00 C ATOM 902 O PHE A 63 6.194 -7.572 11.921 1.00 0.00 O ATOM 903 CB PHE A 63 3.142 -8.063 12.568 1.00 0.00 C ATOM 904 CG PHE A 63 3.341 -9.555 12.772 1.00 0.00 C ATOM 905 CD1 PHE A 63 2.746 -10.486 11.897 1.00 0.00 C ATOM 906 CD2 PHE A 63 4.177 -10.010 13.810 1.00 0.00 C ATOM 907 CE1 PHE A 63 3.001 -11.861 12.051 1.00 0.00 C ATOM 908 CE2 PHE A 63 4.425 -11.384 13.966 1.00 0.00 C ATOM 909 CZ PHE A 63 3.843 -12.310 13.083 1.00 0.00 C ATOM 0 H PHE A 63 2.654 -8.515 10.037 1.00 0.00 H new ATOM 0 HA PHE A 63 4.065 -6.405 11.498 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.467 -7.541 13.468 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.076 -7.866 12.452 1.00 0.00 H new ATOM 0 HD1 PHE A 63 2.094 -10.144 11.107 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.629 -9.301 14.488 1.00 0.00 H new ATOM 0 HE1 PHE A 63 2.549 -12.572 11.375 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.064 -11.729 14.766 1.00 0.00 H new ATOM 0 HZ PHE A 63 4.043 -13.365 13.197 1.00 0.00 H new ATOM 919 N ALA A 64 5.526 -9.016 10.332 1.00 0.00 N ATOM 920 CA ALA A 64 6.817 -9.677 10.163 1.00 0.00 C ATOM 921 C ALA A 64 7.497 -9.367 8.822 1.00 0.00 C ATOM 922 O ALA A 64 6.885 -9.480 7.764 1.00 0.00 O ATOM 923 CB ALA A 64 6.629 -11.184 10.375 1.00 0.00 C ATOM 0 H ALA A 64 4.809 -9.355 9.690 1.00 0.00 H new ATOM 0 HA ALA A 64 7.500 -9.279 10.914 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.586 -11.691 10.252 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.249 -11.365 11.380 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.918 -11.568 9.644 1.00 0.00 H new ATOM 929 N ALA A 65 8.786 -9.006 8.873 1.00 0.00 N ATOM 930 CA ALA A 65 9.630 -8.701 7.710 1.00 0.00 C ATOM 931 C ALA A 65 9.522 -9.771 6.621 1.00 0.00 C ATOM 932 O ALA A 65 9.902 -10.921 6.838 1.00 0.00 O ATOM 933 CB ALA A 65 11.076 -8.502 8.183 1.00 0.00 C ATOM 0 H ALA A 65 9.288 -8.915 9.757 1.00 0.00 H new ATOM 0 HA ALA A 65 9.277 -7.779 7.249 1.00 0.00 H new ATOM 0 HB1 ALA A 65 11.711 -8.275 7.327 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.116 -7.676 8.893 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.430 -9.413 8.665 1.00 0.00 H new ATOM 939 N GLY A 66 9.005 -9.376 5.448 1.00 0.00 N ATOM 940 CA GLY A 66 8.789 -10.272 4.319 1.00 0.00 C ATOM 941 C GLY A 66 7.310 -10.557 4.067 1.00 0.00 C ATOM 942 O GLY A 66 7.002 -11.171 3.049 1.00 0.00 O ATOM 0 H GLY A 66 8.724 -8.413 5.262 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.228 -9.833 3.423 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.310 -11.212 4.502 1.00 0.00 H new ATOM 946 N GLU A 67 6.386 -10.170 4.957 1.00 0.00 N ATOM 947 CA GLU A 67 4.955 -10.391 4.701 1.00 0.00 C ATOM 948 C GLU A 67 4.502 -9.487 3.534 1.00 0.00 C ATOM 949 O GLU A 67 5.187 -8.532 3.163 1.00 0.00 O ATOM 950 CB GLU A 67 4.124 -10.166 5.981 1.00 0.00 C ATOM 951 CG GLU A 67 4.296 -11.339 6.967 1.00 0.00 C ATOM 952 CD GLU A 67 3.544 -11.161 8.298 1.00 0.00 C ATOM 953 OE1 GLU A 67 3.469 -10.010 8.805 1.00 0.00 O ATOM 954 OE2 GLU A 67 3.066 -12.189 8.825 1.00 0.00 O ATOM 0 H GLU A 67 6.596 -9.711 5.843 1.00 0.00 H new ATOM 0 HA GLU A 67 4.789 -11.428 4.409 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.432 -9.236 6.460 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.071 -10.057 5.721 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.951 -12.255 6.488 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.358 -11.469 7.177 1.00 0.00 H new ATOM 961 N SER A 68 3.354 -9.747 2.911 1.00 0.00 N ATOM 962 CA SER A 68 2.894 -8.892 1.814 1.00 0.00 C ATOM 963 C SER A 68 1.463 -9.169 1.457 1.00 0.00 C ATOM 964 O SER A 68 0.914 -10.209 1.833 1.00 0.00 O ATOM 965 CB SER A 68 3.740 -9.132 0.530 1.00 0.00 C ATOM 966 OG SER A 68 3.256 -10.158 -0.327 1.00 0.00 O ATOM 0 H SER A 68 2.735 -10.525 3.139 1.00 0.00 H new ATOM 0 HA SER A 68 3.001 -7.865 2.164 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.788 -8.201 -0.034 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.760 -9.378 0.826 1.00 0.00 H new ATOM 0 HG SER A 68 3.845 -10.239 -1.106 1.00 0.00 H new ATOM 972 N PHE A 69 0.885 -8.240 0.692 1.00 0.00 N ATOM 973 CA PHE A 69 -0.477 -8.473 0.244 1.00 0.00 C ATOM 974 C PHE A 69 -0.372 -7.923 -1.202 1.00 0.00 C ATOM 975 O PHE A 69 0.347 -6.942 -1.427 1.00 0.00 O ATOM 976 CB PHE A 69 -1.575 -7.734 1.059 1.00 0.00 C ATOM 977 CG PHE A 69 -2.241 -6.498 0.531 1.00 0.00 C ATOM 978 CD1 PHE A 69 -1.531 -5.358 0.152 1.00 0.00 C ATOM 979 CD2 PHE A 69 -3.643 -6.551 0.368 1.00 0.00 C ATOM 980 CE1 PHE A 69 -2.233 -4.305 -0.433 1.00 0.00 C ATOM 981 CE2 PHE A 69 -4.338 -5.480 -0.209 1.00 0.00 C ATOM 982 CZ PHE A 69 -3.617 -4.354 -0.623 1.00 0.00 C ATOM 0 H PHE A 69 1.315 -7.367 0.386 1.00 0.00 H new ATOM 0 HA PHE A 69 -0.790 -9.512 0.349 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.364 -8.459 1.259 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.134 -7.471 2.020 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.464 -5.293 0.308 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.185 -7.427 0.692 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -1.691 -3.425 -0.749 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.410 -5.522 -0.332 1.00 0.00 H new ATOM 0 HZ PHE A 69 -4.129 -3.525 -1.088 1.00 0.00 H new ATOM 992 N THR A 70 -0.986 -8.536 -2.215 1.00 0.00 N ATOM 993 CA THR A 70 -0.931 -7.980 -3.578 1.00 0.00 C ATOM 994 C THR A 70 -2.306 -7.462 -3.971 1.00 0.00 C ATOM 995 O THR A 70 -3.338 -8.019 -3.587 1.00 0.00 O ATOM 996 CB THR A 70 -0.359 -8.973 -4.608 1.00 0.00 C ATOM 997 OG1 THR A 70 -0.161 -8.233 -5.804 1.00 0.00 O ATOM 998 CG2 THR A 70 -1.210 -10.212 -4.883 1.00 0.00 C ATOM 0 H THR A 70 -1.519 -9.401 -2.127 1.00 0.00 H new ATOM 0 HA THR A 70 -0.232 -7.144 -3.576 1.00 0.00 H new ATOM 0 HB THR A 70 0.561 -9.387 -4.195 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.228 -8.816 -6.489 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.711 -10.839 -5.622 1.00 0.00 H new ATOM 0 HG22 THR A 70 -1.342 -10.775 -3.959 1.00 0.00 H new ATOM 0 HG23 THR A 70 -2.184 -9.907 -5.264 1.00 0.00 H new ATOM 1006 N SER A 71 -2.288 -6.353 -4.720 1.00 0.00 N ATOM 1007 CA SER A 71 -3.467 -5.646 -5.183 1.00 0.00 C ATOM 1008 C SER A 71 -3.430 -5.508 -6.697 1.00 0.00 C ATOM 1009 O SER A 71 -2.398 -5.178 -7.284 1.00 0.00 O ATOM 1010 CB SER A 71 -3.551 -4.297 -4.483 1.00 0.00 C ATOM 1011 OG SER A 71 -2.438 -3.479 -4.788 1.00 0.00 O ATOM 0 H SER A 71 -1.418 -5.916 -5.026 1.00 0.00 H new ATOM 0 HA SER A 71 -4.366 -6.209 -4.934 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.468 -3.789 -4.781 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.606 -4.449 -3.405 1.00 0.00 H new ATOM 0 HG SER A 71 -1.691 -4.040 -5.084 1.00 0.00 H new ATOM 1017 N THR A 72 -4.584 -5.788 -7.290 1.00 0.00 N ATOM 1018 CA THR A 72 -4.858 -5.773 -8.716 1.00 0.00 C ATOM 1019 C THR A 72 -6.202 -5.063 -8.924 1.00 0.00 C ATOM 1020 O THR A 72 -7.176 -5.269 -8.201 1.00 0.00 O ATOM 1021 CB THR A 72 -4.846 -7.206 -9.286 1.00 0.00 C ATOM 1022 OG1 THR A 72 -3.534 -7.721 -9.204 1.00 0.00 O ATOM 1023 CG2 THR A 72 -5.278 -7.306 -10.749 1.00 0.00 C ATOM 0 H THR A 72 -5.407 -6.049 -6.747 1.00 0.00 H new ATOM 0 HA THR A 72 -4.084 -5.230 -9.259 1.00 0.00 H new ATOM 0 HB THR A 72 -5.565 -7.768 -8.690 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.517 -8.633 -9.563 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.241 -8.347 -11.069 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.296 -6.930 -10.854 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.606 -6.712 -11.368 1.00 0.00 H new ATOM 1031 N PHE A 73 -6.214 -4.215 -9.941 1.00 0.00 N ATOM 1032 CA PHE A 73 -7.288 -3.344 -10.401 1.00 0.00 C ATOM 1033 C PHE A 73 -7.411 -3.016 -11.887 1.00 0.00 C ATOM 1034 O PHE A 73 -6.490 -3.200 -12.674 1.00 0.00 O ATOM 1035 CB PHE A 73 -7.320 -2.174 -9.385 1.00 0.00 C ATOM 1036 CG PHE A 73 -6.101 -1.756 -8.585 1.00 0.00 C ATOM 1037 CD1 PHE A 73 -4.891 -1.215 -9.033 1.00 0.00 C ATOM 1038 CD2 PHE A 73 -6.249 -2.067 -7.219 1.00 0.00 C ATOM 1039 CE1 PHE A 73 -3.924 -0.839 -8.066 1.00 0.00 C ATOM 1040 CE2 PHE A 73 -5.314 -1.679 -6.262 1.00 0.00 C ATOM 1041 CZ PHE A 73 -4.150 -1.038 -6.681 1.00 0.00 C ATOM 0 H PHE A 73 -5.385 -4.108 -10.526 1.00 0.00 H new ATOM 0 HA PHE A 73 -8.229 -3.895 -10.398 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -7.650 -1.292 -9.935 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -8.101 -2.410 -8.663 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.698 -1.087 -10.088 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -7.118 -2.626 -6.903 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -2.996 -0.392 -8.392 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.488 -1.872 -5.214 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.426 -0.696 -5.956 1.00 0.00 H new ATOM 1051 N THR A 74 -8.636 -2.647 -12.291 1.00 0.00 N ATOM 1052 CA THR A 74 -9.058 -2.349 -13.672 1.00 0.00 C ATOM 1053 C THR A 74 -10.019 -1.164 -13.903 1.00 0.00 C ATOM 1054 O THR A 74 -10.700 -1.106 -14.934 1.00 0.00 O ATOM 1055 CB THR A 74 -9.634 -3.665 -14.239 1.00 0.00 C ATOM 1056 OG1 THR A 74 -9.877 -3.543 -15.616 1.00 0.00 O ATOM 1057 CG2 THR A 74 -10.949 -4.067 -13.560 1.00 0.00 C ATOM 0 H THR A 74 -9.403 -2.542 -11.627 1.00 0.00 H new ATOM 0 HA THR A 74 -8.172 -1.991 -14.196 1.00 0.00 H new ATOM 0 HB THR A 74 -8.887 -4.434 -14.044 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.286 -2.672 -15.800 1.00 0.00 H new ATOM 0 HG21 THR A 74 -11.313 -4.998 -13.994 1.00 0.00 H new ATOM 0 HG22 THR A 74 -10.779 -4.206 -12.492 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.691 -3.283 -13.710 1.00 0.00 H new ATOM 1065 N GLU A 75 -10.044 -0.210 -12.984 1.00 0.00 N ATOM 1066 CA GLU A 75 -10.849 1.006 -13.037 1.00 0.00 C ATOM 1067 C GLU A 75 -10.001 2.218 -13.479 1.00 0.00 C ATOM 1068 O GLU A 75 -9.405 2.863 -12.619 1.00 0.00 O ATOM 1069 CB GLU A 75 -11.578 1.195 -11.686 1.00 0.00 C ATOM 1070 CG GLU A 75 -10.721 1.218 -10.405 1.00 0.00 C ATOM 1071 CD GLU A 75 -10.533 -0.187 -9.799 1.00 0.00 C ATOM 1072 OE1 GLU A 75 -9.956 -1.066 -10.483 1.00 0.00 O ATOM 1073 OE2 GLU A 75 -10.884 -0.364 -8.613 1.00 0.00 O ATOM 0 H GLU A 75 -9.476 -0.264 -12.138 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.621 0.915 -13.801 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -12.135 2.131 -11.734 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -12.310 0.394 -11.585 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.745 1.647 -10.632 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.191 1.869 -9.668 1.00 0.00 H new ATOM 1080 N PRO A 76 -9.937 2.553 -14.789 1.00 0.00 N ATOM 1081 CA PRO A 76 -9.117 3.661 -15.276 1.00 0.00 C ATOM 1082 C PRO A 76 -9.369 4.956 -14.486 1.00 0.00 C ATOM 1083 O PRO A 76 -10.452 5.551 -14.526 1.00 0.00 O ATOM 1084 CB PRO A 76 -9.323 3.742 -16.789 1.00 0.00 C ATOM 1085 CG PRO A 76 -10.545 2.881 -17.067 1.00 0.00 C ATOM 1086 CD PRO A 76 -10.584 1.889 -15.910 1.00 0.00 C ATOM 0 HA PRO A 76 -8.055 3.491 -15.100 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.484 4.771 -17.111 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -8.450 3.373 -17.326 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -11.454 3.482 -17.105 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -10.460 2.369 -18.026 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -11.611 1.618 -15.663 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.064 0.967 -16.170 1.00 0.00 H new ATOM 1094 N GLY A 77 -8.359 5.316 -13.685 1.00 0.00 N ATOM 1095 CA GLY A 77 -8.349 6.453 -12.794 1.00 0.00 C ATOM 1096 C GLY A 77 -7.193 6.376 -11.791 1.00 0.00 C ATOM 1097 O GLY A 77 -6.017 6.243 -12.128 1.00 0.00 O ATOM 0 H GLY A 77 -7.488 4.787 -13.649 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.265 7.371 -13.376 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.295 6.502 -12.256 1.00 0.00 H new ATOM 1101 N THR A 78 -7.522 6.522 -10.509 1.00 0.00 N ATOM 1102 CA THR A 78 -6.544 6.522 -9.416 1.00 0.00 C ATOM 1103 C THR A 78 -7.202 6.389 -8.049 1.00 0.00 C ATOM 1104 O THR A 78 -8.296 6.915 -7.844 1.00 0.00 O ATOM 1105 CB THR A 78 -5.724 7.846 -9.435 1.00 0.00 C ATOM 1106 OG1 THR A 78 -4.988 8.029 -8.241 1.00 0.00 O ATOM 1107 CG2 THR A 78 -6.571 9.116 -9.589 1.00 0.00 C ATOM 0 H THR A 78 -8.484 6.645 -10.194 1.00 0.00 H new ATOM 0 HA THR A 78 -5.897 5.659 -9.575 1.00 0.00 H new ATOM 0 HB THR A 78 -5.081 7.723 -10.306 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.376 7.274 -8.115 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.919 9.990 -9.592 1.00 0.00 H new ATOM 0 HG22 THR A 78 -7.125 9.073 -10.527 1.00 0.00 H new ATOM 0 HG23 THR A 78 -7.272 9.189 -8.757 1.00 0.00 H new ATOM 1115 N TYR A 79 -6.505 5.706 -7.119 1.00 0.00 N ATOM 1116 CA TYR A 79 -6.975 5.555 -5.746 1.00 0.00 C ATOM 1117 C TYR A 79 -5.864 5.824 -4.711 1.00 0.00 C ATOM 1118 O TYR A 79 -4.675 5.589 -4.935 1.00 0.00 O ATOM 1119 CB TYR A 79 -7.727 4.215 -5.493 1.00 0.00 C ATOM 1120 CG TYR A 79 -7.440 2.803 -6.021 1.00 0.00 C ATOM 1121 CD1 TYR A 79 -7.608 2.439 -7.378 1.00 0.00 C ATOM 1122 CD2 TYR A 79 -7.568 1.777 -5.066 1.00 0.00 C ATOM 1123 CE1 TYR A 79 -8.053 1.146 -7.717 1.00 0.00 C ATOM 1124 CE2 TYR A 79 -7.946 0.472 -5.394 1.00 0.00 C ATOM 1125 CZ TYR A 79 -8.305 0.189 -6.712 1.00 0.00 C ATOM 1126 OH TYR A 79 -9.072 -0.906 -6.937 1.00 0.00 O ATOM 0 H TYR A 79 -5.611 5.252 -7.305 1.00 0.00 H new ATOM 0 HA TYR A 79 -7.724 6.334 -5.602 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -7.732 4.105 -4.409 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -8.754 4.417 -5.797 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -7.394 3.156 -8.157 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.365 2.009 -4.031 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -8.202 0.886 -8.754 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -7.960 -0.303 -4.641 1.00 0.00 H new ATOM 0 HH TYR A 79 -9.933 -0.630 -7.315 1.00 0.00 H new ATOM 1136 N THR A 80 -6.266 6.499 -3.621 1.00 0.00 N ATOM 1137 CA THR A 80 -5.465 6.964 -2.474 1.00 0.00 C ATOM 1138 C THR A 80 -5.427 5.952 -1.357 1.00 0.00 C ATOM 1139 O THR A 80 -6.462 5.379 -1.023 1.00 0.00 O ATOM 1140 CB THR A 80 -6.032 8.258 -1.853 1.00 0.00 C ATOM 1141 OG1 THR A 80 -6.764 9.037 -2.767 1.00 0.00 O ATOM 1142 CG2 THR A 80 -4.929 9.142 -1.267 1.00 0.00 C ATOM 0 H THR A 80 -7.247 6.756 -3.509 1.00 0.00 H new ATOM 0 HA THR A 80 -4.469 7.131 -2.885 1.00 0.00 H new ATOM 0 HB THR A 80 -6.701 7.913 -1.065 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.711 8.788 -2.724 1.00 0.00 H new ATOM 0 HG21 THR A 80 -5.372 10.042 -0.840 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.399 8.594 -0.488 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.229 9.421 -2.055 1.00 0.00 H new ATOM 1150 N TYR A 81 -4.271 5.810 -0.704 1.00 0.00 N ATOM 1151 CA TYR A 81 -4.087 4.830 0.360 1.00 0.00 C ATOM 1152 C TYR A 81 -3.135 5.319 1.441 1.00 0.00 C ATOM 1153 O TYR A 81 -2.464 6.341 1.307 1.00 0.00 O ATOM 1154 CB TYR A 81 -3.636 3.510 -0.302 1.00 0.00 C ATOM 1155 CG TYR A 81 -2.284 2.956 0.086 1.00 0.00 C ATOM 1156 CD1 TYR A 81 -1.107 3.405 -0.540 1.00 0.00 C ATOM 1157 CD2 TYR A 81 -2.218 1.970 1.081 1.00 0.00 C ATOM 1158 CE1 TYR A 81 0.121 2.807 -0.209 1.00 0.00 C ATOM 1159 CE2 TYR A 81 -0.992 1.375 1.409 1.00 0.00 C ATOM 1160 CZ TYR A 81 0.172 1.739 0.719 1.00 0.00 C ATOM 1161 OH TYR A 81 1.306 1.006 0.924 1.00 0.00 O ATOM 0 H TYR A 81 -3.442 6.370 -0.900 1.00 0.00 H new ATOM 0 HA TYR A 81 -5.025 4.666 0.890 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -4.386 2.750 -0.081 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.641 3.658 -1.382 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -1.147 4.202 -1.268 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -3.117 1.667 1.597 1.00 0.00 H new ATOM 0 HE1 TYR A 81 1.032 3.165 -0.666 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.944 0.635 2.194 1.00 0.00 H new ATOM 0 HH TYR A 81 2.052 1.608 1.130 1.00 0.00 H new ATOM 1171 N TYR A 82 -3.107 4.553 2.533 1.00 0.00 N ATOM 1172 CA TYR A 82 -2.273 4.732 3.716 1.00 0.00 C ATOM 1173 C TYR A 82 -2.180 3.462 4.593 1.00 0.00 C ATOM 1174 O TYR A 82 -2.710 2.405 4.250 1.00 0.00 O ATOM 1175 CB TYR A 82 -2.788 5.955 4.501 1.00 0.00 C ATOM 1176 CG TYR A 82 -4.147 5.787 5.135 1.00 0.00 C ATOM 1177 CD1 TYR A 82 -5.326 6.118 4.434 1.00 0.00 C ATOM 1178 CD2 TYR A 82 -4.221 5.296 6.446 1.00 0.00 C ATOM 1179 CE1 TYR A 82 -6.578 5.964 5.057 1.00 0.00 C ATOM 1180 CE2 TYR A 82 -5.466 5.101 7.051 1.00 0.00 C ATOM 1181 CZ TYR A 82 -6.648 5.439 6.363 1.00 0.00 C ATOM 1182 OH TYR A 82 -7.850 5.252 6.965 1.00 0.00 O ATOM 0 H TYR A 82 -3.710 3.735 2.617 1.00 0.00 H new ATOM 0 HA TYR A 82 -1.248 4.915 3.394 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.067 6.194 5.283 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -2.823 6.811 3.827 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -5.267 6.489 3.421 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.316 5.068 6.989 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -7.481 6.247 4.537 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -5.522 4.690 8.048 1.00 0.00 H new ATOM 0 HH TYR A 82 -7.741 4.654 7.734 1.00 0.00 H new ATOM 1192 N CYS A 83 -1.455 3.590 5.706 1.00 0.00 N ATOM 1193 CA CYS A 83 -1.245 2.562 6.743 1.00 0.00 C ATOM 1194 C CYS A 83 -1.907 3.030 8.059 1.00 0.00 C ATOM 1195 O CYS A 83 -1.400 3.975 8.664 1.00 0.00 O ATOM 1196 CB CYS A 83 0.253 2.338 6.943 1.00 0.00 C ATOM 1197 SG CYS A 83 0.690 1.300 8.353 1.00 0.00 S ATOM 0 H CYS A 83 -0.969 4.460 5.926 1.00 0.00 H new ATOM 0 HA CYS A 83 -1.698 1.620 6.434 1.00 0.00 H new ATOM 0 HB2 CYS A 83 0.661 1.886 6.039 1.00 0.00 H new ATOM 0 HB3 CYS A 83 0.737 3.307 7.061 1.00 0.00 H new ATOM 0 HG CYS A 83 0.850 2.044 9.407 1.00 0.00 H new ATOM 1202 N GLU A 84 -2.985 2.404 8.552 1.00 0.00 N ATOM 1203 CA GLU A 84 -3.681 2.853 9.782 1.00 0.00 C ATOM 1204 C GLU A 84 -2.814 3.385 10.950 1.00 0.00 C ATOM 1205 O GLU A 84 -2.903 4.581 11.258 1.00 0.00 O ATOM 1206 CB GLU A 84 -4.657 1.774 10.315 1.00 0.00 C ATOM 1207 CG GLU A 84 -6.027 1.692 9.631 1.00 0.00 C ATOM 1208 CD GLU A 84 -6.855 2.981 9.721 1.00 0.00 C ATOM 1209 OE1 GLU A 84 -6.832 3.674 10.762 1.00 0.00 O ATOM 1210 OE2 GLU A 84 -7.514 3.329 8.708 1.00 0.00 O ATOM 0 H GLU A 84 -3.401 1.579 8.120 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.216 3.732 9.422 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.172 0.802 10.226 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.817 1.954 11.378 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.881 1.440 8.581 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.595 0.877 10.078 1.00 0.00 H new ATOM 1217 N PRO A 85 -1.944 2.569 11.587 1.00 0.00 N ATOM 1218 CA PRO A 85 -1.135 3.003 12.729 1.00 0.00 C ATOM 1219 C PRO A 85 -0.103 4.090 12.427 1.00 0.00 C ATOM 1220 O PRO A 85 0.443 4.672 13.363 1.00 0.00 O ATOM 1221 CB PRO A 85 -0.466 1.731 13.255 1.00 0.00 C ATOM 1222 CG PRO A 85 -0.327 0.871 12.002 1.00 0.00 C ATOM 1223 CD PRO A 85 -1.620 1.188 11.252 1.00 0.00 C ATOM 0 HA PRO A 85 -1.783 3.485 13.461 1.00 0.00 H new ATOM 0 HB2 PRO A 85 0.502 1.943 13.708 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -1.074 1.241 14.015 1.00 0.00 H new ATOM 0 HG2 PRO A 85 0.557 1.136 11.421 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -0.244 -0.189 12.242 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -1.488 1.067 10.177 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -2.422 0.514 11.553 1.00 0.00 H new ATOM 1231 N HIS A 86 0.145 4.418 11.156 1.00 0.00 N ATOM 1232 CA HIS A 86 1.151 5.411 10.790 1.00 0.00 C ATOM 1233 C HIS A 86 0.600 6.562 9.926 1.00 0.00 C ATOM 1234 O HIS A 86 1.380 7.397 9.459 1.00 0.00 O ATOM 1235 CB HIS A 86 2.348 4.652 10.197 1.00 0.00 C ATOM 1236 CG HIS A 86 2.931 3.607 11.121 1.00 0.00 C ATOM 1237 ND1 HIS A 86 3.062 3.700 12.492 1.00 0.00 N ATOM 1238 CD2 HIS A 86 3.304 2.340 10.759 1.00 0.00 C ATOM 1239 CE1 HIS A 86 3.497 2.513 12.944 1.00 0.00 C ATOM 1240 NE2 HIS A 86 3.641 1.658 11.926 1.00 0.00 N ATOM 0 H HIS A 86 -0.342 4.005 10.361 1.00 0.00 H new ATOM 0 HA HIS A 86 1.490 5.953 11.673 1.00 0.00 H new ATOM 0 HB2 HIS A 86 2.037 4.170 9.270 1.00 0.00 H new ATOM 0 HB3 HIS A 86 3.127 5.369 9.938 1.00 0.00 H new ATOM 0 HD2 HIS A 86 3.332 1.943 9.755 1.00 0.00 H new ATOM 0 HE1 HIS A 86 3.701 2.282 13.979 1.00 0.00 H new ATOM 0 HE2 HIS A 86 3.942 0.686 11.992 1.00 0.00 H new ATOM 1248 N ARG A 87 -0.736 6.649 9.774 1.00 0.00 N ATOM 1249 CA ARG A 87 -1.453 7.698 9.031 1.00 0.00 C ATOM 1250 C ARG A 87 -0.893 9.090 9.345 1.00 0.00 C ATOM 1251 O ARG A 87 -0.312 9.738 8.477 1.00 0.00 O ATOM 1252 CB ARG A 87 -2.963 7.567 9.354 1.00 0.00 C ATOM 1253 CG ARG A 87 -3.829 8.817 9.076 1.00 0.00 C ATOM 1254 CD ARG A 87 -5.337 8.618 9.327 1.00 0.00 C ATOM 1255 NE ARG A 87 -5.626 7.946 10.617 1.00 0.00 N ATOM 1256 CZ ARG A 87 -6.127 6.719 10.724 1.00 0.00 C ATOM 1257 NH1 ARG A 87 -6.786 6.155 9.748 1.00 0.00 N ATOM 1258 NH2 ARG A 87 -5.949 5.972 11.787 1.00 0.00 N ATOM 0 H ARG A 87 -1.369 5.961 10.183 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.310 7.568 7.958 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.366 6.735 8.777 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.067 7.305 10.407 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.474 9.636 9.702 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.683 9.122 8.040 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.834 9.588 9.310 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.760 8.029 8.514 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.428 8.458 11.477 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -6.929 6.657 8.872 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -7.158 5.212 9.862 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.408 6.327 12.575 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -6.352 5.036 11.826 1.00 0.00 H new ATOM 1272 N GLY A 88 -0.996 9.494 10.615 1.00 0.00 N ATOM 1273 CA GLY A 88 -0.573 10.801 11.145 1.00 0.00 C ATOM 1274 C GLY A 88 0.932 11.081 11.121 1.00 0.00 C ATOM 1275 O GLY A 88 1.333 12.225 11.327 1.00 0.00 O ATOM 0 H GLY A 88 -1.394 8.894 11.337 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.077 11.582 10.575 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.921 10.883 12.175 1.00 0.00 H new ATOM 1279 N ALA A 89 1.743 10.037 10.899 1.00 0.00 N ATOM 1280 CA ALA A 89 3.197 10.054 10.783 1.00 0.00 C ATOM 1281 C ALA A 89 3.636 10.150 9.309 1.00 0.00 C ATOM 1282 O ALA A 89 4.824 10.305 9.033 1.00 0.00 O ATOM 1283 CB ALA A 89 3.763 8.802 11.466 1.00 0.00 C ATOM 0 H ALA A 89 1.368 9.095 10.789 1.00 0.00 H new ATOM 0 HA ALA A 89 3.593 10.938 11.282 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.850 8.804 11.386 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.477 8.801 12.518 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.365 7.911 10.980 1.00 0.00 H new ATOM 1289 N GLY A 90 2.692 10.055 8.358 1.00 0.00 N ATOM 1290 CA GLY A 90 2.978 10.182 6.935 1.00 0.00 C ATOM 1291 C GLY A 90 3.009 8.874 6.158 1.00 0.00 C ATOM 1292 O GLY A 90 3.431 8.903 5.000 1.00 0.00 O ATOM 0 H GLY A 90 1.707 9.887 8.564 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.228 10.834 6.487 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.942 10.678 6.818 1.00 0.00 H new ATOM 1296 N MET A 91 2.582 7.738 6.727 1.00 0.00 N ATOM 1297 CA MET A 91 2.560 6.478 5.980 1.00 0.00 C ATOM 1298 C MET A 91 1.300 6.422 5.097 1.00 0.00 C ATOM 1299 O MET A 91 0.399 5.605 5.287 1.00 0.00 O ATOM 1300 CB MET A 91 2.711 5.296 6.933 1.00 0.00 C ATOM 1301 CG MET A 91 3.206 4.054 6.175 1.00 0.00 C ATOM 1302 SD MET A 91 3.941 2.773 7.224 1.00 0.00 S ATOM 1303 CE MET A 91 4.607 1.673 5.949 1.00 0.00 C ATOM 0 H MET A 91 2.252 7.668 7.689 1.00 0.00 H new ATOM 0 HA MET A 91 3.411 6.419 5.302 1.00 0.00 H new ATOM 0 HB2 MET A 91 3.414 5.549 7.727 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.755 5.081 7.410 1.00 0.00 H new ATOM 0 HG2 MET A 91 2.369 3.621 5.628 1.00 0.00 H new ATOM 0 HG3 MET A 91 3.943 4.366 5.435 1.00 0.00 H new ATOM 0 HE1 MET A 91 5.204 0.891 6.419 1.00 0.00 H new ATOM 0 HE2 MET A 91 3.786 1.219 5.395 1.00 0.00 H new ATOM 0 HE3 MET A 91 5.233 2.246 5.265 1.00 0.00 H new ATOM 1313 N VAL A 92 1.242 7.347 4.131 1.00 0.00 N ATOM 1314 CA VAL A 92 0.207 7.649 3.134 1.00 0.00 C ATOM 1315 C VAL A 92 0.825 7.817 1.735 1.00 0.00 C ATOM 1316 O VAL A 92 2.007 8.141 1.591 1.00 0.00 O ATOM 1317 CB VAL A 92 -0.581 8.904 3.600 1.00 0.00 C ATOM 1318 CG1 VAL A 92 0.303 10.145 3.775 1.00 0.00 C ATOM 1319 CG2 VAL A 92 -1.747 9.328 2.682 1.00 0.00 C ATOM 0 H VAL A 92 2.027 7.988 4.016 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.493 6.818 3.053 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.983 8.566 4.555 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.310 10.985 4.102 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.070 9.943 4.523 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.778 10.390 2.825 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.232 10.213 3.095 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.363 9.555 1.688 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.471 8.516 2.614 1.00 0.00 H new ATOM 1329 N GLY A 93 0.008 7.575 0.707 1.00 0.00 N ATOM 1330 CA GLY A 93 0.377 7.626 -0.704 1.00 0.00 C ATOM 1331 C GLY A 93 -0.817 7.556 -1.664 1.00 0.00 C ATOM 1332 O GLY A 93 -1.982 7.631 -1.258 1.00 0.00 O ATOM 0 H GLY A 93 -0.972 7.327 0.845 1.00 0.00 H new ATOM 0 HA2 GLY A 93 0.928 8.548 -0.892 1.00 0.00 H new ATOM 0 HA3 GLY A 93 1.054 6.800 -0.922 1.00 0.00 H new ATOM 1336 N LYS A 94 -0.521 7.382 -2.960 1.00 0.00 N ATOM 1337 CA LYS A 94 -1.524 7.235 -4.028 1.00 0.00 C ATOM 1338 C LYS A 94 -1.073 6.168 -5.036 1.00 0.00 C ATOM 1339 O LYS A 94 0.017 5.607 -4.950 1.00 0.00 O ATOM 1340 CB LYS A 94 -1.857 8.605 -4.693 1.00 0.00 C ATOM 1341 CG LYS A 94 -3.359 8.670 -5.068 1.00 0.00 C ATOM 1342 CD LYS A 94 -3.910 9.998 -5.616 1.00 0.00 C ATOM 1343 CE LYS A 94 -5.438 10.143 -5.389 1.00 0.00 C ATOM 1344 NZ LYS A 94 -6.232 8.981 -5.869 1.00 0.00 N ATOM 0 H LYS A 94 0.439 7.339 -3.303 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.459 6.886 -3.589 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.610 9.418 -4.010 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.246 8.742 -5.585 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -3.551 7.897 -5.812 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.936 8.410 -4.181 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.394 10.829 -5.135 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.696 10.064 -6.683 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.625 10.284 -4.324 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.787 11.043 -5.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.246 9.185 -5.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.019 8.805 -6.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.987 8.139 -5.310 1.00 0.00 H new ATOM 1358 N VAL A 95 -1.963 5.867 -5.980 1.00 0.00 N ATOM 1359 CA VAL A 95 -1.850 4.865 -7.048 1.00 0.00 C ATOM 1360 C VAL A 95 -2.671 5.328 -8.244 1.00 0.00 C ATOM 1361 O VAL A 95 -3.829 5.723 -8.069 1.00 0.00 O ATOM 1362 CB VAL A 95 -2.442 3.519 -6.591 1.00 0.00 C ATOM 1363 CG1 VAL A 95 -2.075 2.404 -7.577 1.00 0.00 C ATOM 1364 CG2 VAL A 95 -1.954 3.077 -5.206 1.00 0.00 C ATOM 0 H VAL A 95 -2.857 6.356 -6.025 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.796 4.747 -7.299 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.519 3.681 -6.549 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.503 1.461 -7.236 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.470 2.646 -8.564 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.990 2.311 -7.634 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.410 2.122 -4.947 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.869 2.969 -5.220 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.235 3.826 -4.465 1.00 0.00 H new ATOM 1374 N VAL A 96 -2.099 5.246 -9.448 1.00 0.00 N ATOM 1375 CA VAL A 96 -2.759 5.604 -10.697 1.00 0.00 C ATOM 1376 C VAL A 96 -2.838 4.350 -11.532 1.00 0.00 C ATOM 1377 O VAL A 96 -1.839 3.636 -11.687 1.00 0.00 O ATOM 1378 CB VAL A 96 -1.976 6.702 -11.425 1.00 0.00 C ATOM 1379 CG1 VAL A 96 -2.649 7.075 -12.753 1.00 0.00 C ATOM 1380 CG2 VAL A 96 -1.812 7.972 -10.578 1.00 0.00 C ATOM 0 H VAL A 96 -1.141 4.921 -9.580 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.757 5.999 -10.509 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.986 6.286 -11.615 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.071 7.856 -13.247 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.696 6.196 -13.396 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.659 7.438 -12.560 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.250 8.716 -11.143 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.795 8.372 -10.328 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.275 7.731 -9.661 1.00 0.00 H new ATOM 1390 N VAL A 97 -4.047 4.101 -12.047 1.00 0.00 N ATOM 1391 CA VAL A 97 -4.294 2.938 -12.896 1.00 0.00 C ATOM 1392 C VAL A 97 -4.953 3.304 -14.235 1.00 0.00 C ATOM 1393 O VAL A 97 -5.929 4.053 -14.269 1.00 0.00 O ATOM 1394 CB VAL A 97 -5.072 1.830 -12.143 1.00 0.00 C ATOM 1395 CG1 VAL A 97 -4.650 1.687 -10.673 1.00 0.00 C ATOM 1396 CG2 VAL A 97 -6.600 1.950 -12.162 1.00 0.00 C ATOM 0 H VAL A 97 -4.865 4.689 -11.889 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.316 2.528 -13.147 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.795 0.948 -12.720 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.232 0.895 -10.203 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.590 1.438 -10.621 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.828 2.627 -10.150 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -7.037 1.121 -11.605 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.897 2.893 -11.703 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -6.954 1.921 -13.192 1.00 0.00 H new ATOM 1406 N GLU A 98 -4.358 2.719 -15.290 1.00 0.00 N ATOM 1407 CA GLU A 98 -4.512 2.688 -16.764 1.00 0.00 C ATOM 1408 C GLU A 98 -3.219 2.994 -17.550 1.00 0.00 C ATOM 1409 O GLU A 98 -2.455 3.898 -17.146 1.00 0.00 O ATOM 1410 CB GLU A 98 -5.655 3.585 -17.276 1.00 0.00 C ATOM 1411 CG GLU A 98 -5.388 5.103 -17.300 1.00 0.00 C ATOM 1412 CD GLU A 98 -6.609 5.862 -17.833 1.00 0.00 C ATOM 1413 OE1 GLU A 98 -6.699 6.014 -19.073 1.00 0.00 O ATOM 1414 OE2 GLU A 98 -7.465 6.255 -17.007 1.00 0.00 O ATOM 1415 OXT GLU A 98 -3.010 2.262 -18.553 1.00 0.00 O ATOM 0 H GLU A 98 -3.569 2.112 -15.067 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.771 1.648 -16.962 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.908 3.268 -18.288 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.533 3.404 -16.656 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -5.148 5.451 -16.295 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.521 5.315 -17.926 1.00 0.00 H new TER 1422 GLU A 98