USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 775 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 83 LYS NZ :NH3+ -113:sc= 0.643 (180deg=0.366) USER MOD Set 1.2: A 100 ASN :FLIP amide:sc=-0.00246 F(o=-0.016,f=0.64) USER MOD Set 2.1: A 18 MET CE :methyl 176:sc= -0.488 (180deg=-0.499) USER MOD Set 2.2: A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 154:sc= -0.0573 (180deg=-0.79) USER MOD Single : A 4 THR OG1 : rot 149:sc= 1.29 USER MOD Single : A 7 TYR OH : rot 3:sc= 1 USER MOD Single : A 8 GLN :FLIP amide:sc= -0.245 F(o=-1.6,f=-0.25) USER MOD Single : A 11 GLN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 15 SER OG : rot -88:sc= 1.26 USER MOD Single : A 17 MET CE :methyl 171:sc= -0.657 (180deg=-0.878) USER MOD Single : A 26 ASN : amide:sc= -7.75! C(o=-7.7!,f=-10!) USER MOD Single : A 28 GLN : amide:sc= -0.541 X(o=-0.54,f=-0.052) USER MOD Single : A 30 ASN : amide:sc= 1.18 K(o=1.2,f=-0.38) USER MOD Single : A 34 HIS : no HE2:sc= -1.42! C(o=-1.4!,f=-5.9!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -1.02 K(o=-1,f=-6.8!) USER MOD Single : A 51 CYS SG : rot -102:sc= 0.439 USER MOD Single : A 56 THR OG1 : rot -153:sc= 1.02 USER MOD Single : A 57 SER OG : rot 130:sc= -1.51! USER MOD Single : A 62 TYR OH : rot -30:sc= -4.64! USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -131:sc= 0.0315 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= -1.63! C(o=-1.6!,f=-3!) USER MOD Single : A 73 GLN : amide:sc= -0.165 X(o=-0.17,f=-0.12) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 130:sc= -2.07! USER MOD Single : A 81 SER OG : rot -27:sc= 1.28 USER MOD Single : A 97 TYR OH : rot 41:sc= -1.27 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.056 0.901 5.673 1.00 0.00 N ATOM 2 CA GLY A 1 20.974 -0.025 6.084 1.00 0.00 C ATOM 3 C GLY A 1 20.284 -0.653 4.895 1.00 0.00 C ATOM 4 O GLY A 1 19.055 -0.644 4.805 1.00 0.00 O ATOM 0 H1 GLY A 1 22.503 1.310 6.518 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.768 0.380 5.122 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.657 1.664 5.089 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.389 -0.809 6.718 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.242 0.516 6.684 1.00 0.00 H new ATOM 10 N SER A 2 21.072 -1.202 3.978 1.00 0.00 N ATOM 11 CA SER A 2 20.545 -1.782 2.752 1.00 0.00 C ATOM 12 C SER A 2 19.976 -3.179 3.000 1.00 0.00 C ATOM 13 O SER A 2 20.422 -4.163 2.410 1.00 0.00 O ATOM 14 CB SER A 2 21.646 -1.835 1.692 1.00 0.00 C ATOM 15 OG SER A 2 22.222 -0.552 1.498 1.00 0.00 O ATOM 0 H SER A 2 22.087 -1.257 4.064 1.00 0.00 H new ATOM 0 HA SER A 2 19.731 -1.151 2.395 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.417 -2.542 1.997 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.234 -2.199 0.751 1.00 0.00 H new ATOM 0 HG SER A 2 22.925 -0.609 0.817 1.00 0.00 H new ATOM 21 N MET A 3 18.990 -3.256 3.881 1.00 0.00 N ATOM 22 CA MET A 3 18.330 -4.517 4.184 1.00 0.00 C ATOM 23 C MET A 3 17.093 -4.674 3.308 1.00 0.00 C ATOM 24 O MET A 3 16.613 -3.704 2.724 1.00 0.00 O ATOM 25 CB MET A 3 17.934 -4.582 5.663 1.00 0.00 C ATOM 26 CG MET A 3 16.904 -3.541 6.070 1.00 0.00 C ATOM 27 SD MET A 3 16.342 -3.740 7.774 1.00 0.00 S ATOM 28 CE MET A 3 17.871 -3.478 8.672 1.00 0.00 C ATOM 0 H MET A 3 18.628 -2.456 4.401 1.00 0.00 H new ATOM 0 HA MET A 3 19.026 -5.331 3.979 1.00 0.00 H new ATOM 0 HB2 MET A 3 17.539 -5.574 5.880 1.00 0.00 H new ATOM 0 HB3 MET A 3 18.827 -4.454 6.274 1.00 0.00 H new ATOM 0 HG2 MET A 3 17.332 -2.546 5.947 1.00 0.00 H new ATOM 0 HG3 MET A 3 16.047 -3.604 5.400 1.00 0.00 H new ATOM 0 HE1 MET A 3 17.646 -3.114 9.674 1.00 0.00 H new ATOM 0 HE2 MET A 3 18.418 -4.418 8.742 1.00 0.00 H new ATOM 0 HE3 MET A 3 18.480 -2.742 8.147 1.00 0.00 H new ATOM 38 N THR A 4 16.581 -5.893 3.235 1.00 0.00 N ATOM 39 CA THR A 4 15.411 -6.199 2.418 1.00 0.00 C ATOM 40 C THR A 4 14.118 -5.784 3.134 1.00 0.00 C ATOM 41 O THR A 4 13.128 -6.522 3.151 1.00 0.00 O ATOM 42 CB THR A 4 15.387 -7.706 2.063 1.00 0.00 C ATOM 43 OG1 THR A 4 14.327 -7.994 1.142 1.00 0.00 O ATOM 44 CG2 THR A 4 15.239 -8.567 3.315 1.00 0.00 C ATOM 0 H THR A 4 16.961 -6.696 3.737 1.00 0.00 H new ATOM 0 HA THR A 4 15.476 -5.626 1.493 1.00 0.00 H new ATOM 0 HB THR A 4 16.339 -7.948 1.591 1.00 0.00 H new ATOM 0 HG1 THR A 4 14.589 -8.742 0.565 1.00 0.00 H new ATOM 0 HG21 THR A 4 15.225 -9.620 3.033 1.00 0.00 H new ATOM 0 HG22 THR A 4 16.078 -8.382 3.985 1.00 0.00 H new ATOM 0 HG23 THR A 4 14.307 -8.315 3.822 1.00 0.00 H new ATOM 52 N VAL A 5 14.149 -4.567 3.693 1.00 0.00 N ATOM 53 CA VAL A 5 13.079 -4.007 4.530 1.00 0.00 C ATOM 54 C VAL A 5 12.528 -5.007 5.556 1.00 0.00 C ATOM 55 O VAL A 5 13.045 -6.111 5.720 1.00 0.00 O ATOM 56 CB VAL A 5 11.918 -3.372 3.709 1.00 0.00 C ATOM 57 CG1 VAL A 5 12.405 -2.135 2.975 1.00 0.00 C ATOM 58 CG2 VAL A 5 11.274 -4.347 2.742 1.00 0.00 C ATOM 0 H VAL A 5 14.936 -3.930 3.573 1.00 0.00 H new ATOM 0 HA VAL A 5 13.564 -3.202 5.082 1.00 0.00 H new ATOM 0 HB VAL A 5 11.146 -3.088 4.424 1.00 0.00 H new ATOM 0 HG11 VAL A 5 11.582 -1.702 2.406 1.00 0.00 H new ATOM 0 HG12 VAL A 5 12.771 -1.404 3.696 1.00 0.00 H new ATOM 0 HG13 VAL A 5 13.212 -2.409 2.295 1.00 0.00 H new ATOM 0 HG21 VAL A 5 10.472 -3.846 2.200 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.022 -4.706 2.035 1.00 0.00 H new ATOM 0 HG23 VAL A 5 10.864 -5.192 3.296 1.00 0.00 H new ATOM 68 N ARG A 6 11.502 -4.583 6.279 1.00 0.00 N ATOM 69 CA ARG A 6 10.874 -5.407 7.311 1.00 0.00 C ATOM 70 C ARG A 6 9.416 -5.009 7.442 1.00 0.00 C ATOM 71 O ARG A 6 9.031 -4.363 8.410 1.00 0.00 O ATOM 72 CB ARG A 6 11.561 -5.220 8.671 1.00 0.00 C ATOM 73 CG ARG A 6 13.017 -5.642 8.710 1.00 0.00 C ATOM 74 CD ARG A 6 13.185 -7.153 8.631 1.00 0.00 C ATOM 75 NE ARG A 6 14.594 -7.532 8.710 1.00 0.00 N ATOM 76 CZ ARG A 6 15.137 -8.551 8.042 1.00 0.00 C ATOM 77 NH1 ARG A 6 14.380 -9.342 7.288 1.00 0.00 N ATOM 78 NH2 ARG A 6 16.437 -8.787 8.145 1.00 0.00 N ATOM 0 H ARG A 6 11.079 -3.661 6.170 1.00 0.00 H new ATOM 0 HA ARG A 6 10.967 -6.452 7.017 1.00 0.00 H new ATOM 0 HB2 ARG A 6 11.494 -4.170 8.955 1.00 0.00 H new ATOM 0 HB3 ARG A 6 11.012 -5.789 9.421 1.00 0.00 H new ATOM 0 HG2 ARG A 6 13.550 -5.176 7.881 1.00 0.00 H new ATOM 0 HG3 ARG A 6 13.474 -5.276 9.629 1.00 0.00 H new ATOM 0 HD2 ARG A 6 12.632 -7.626 9.443 1.00 0.00 H new ATOM 0 HD3 ARG A 6 12.758 -7.521 7.698 1.00 0.00 H new ATOM 0 HE ARG A 6 15.202 -6.981 9.316 1.00 0.00 H new ATOM 0 HH11 ARG A 6 13.377 -9.172 7.217 1.00 0.00 H new ATOM 0 HH12 ARG A 6 14.802 -10.119 6.780 1.00 0.00 H new ATOM 0 HH21 ARG A 6 17.019 -8.190 8.733 1.00 0.00 H new ATOM 0 HH22 ARG A 6 16.856 -9.565 7.636 1.00 0.00 H new ATOM 92 N TYR A 7 8.609 -5.365 6.463 1.00 0.00 N ATOM 93 CA TYR A 7 7.221 -4.926 6.464 1.00 0.00 C ATOM 94 C TYR A 7 6.256 -6.079 6.653 1.00 0.00 C ATOM 95 O TYR A 7 6.549 -7.226 6.322 1.00 0.00 O ATOM 96 CB TYR A 7 6.887 -4.135 5.195 1.00 0.00 C ATOM 97 CG TYR A 7 6.793 -4.952 3.931 1.00 0.00 C ATOM 98 CD1 TYR A 7 5.585 -5.501 3.545 1.00 0.00 C ATOM 99 CD2 TYR A 7 7.896 -5.157 3.113 1.00 0.00 C ATOM 100 CE1 TYR A 7 5.471 -6.233 2.390 1.00 0.00 C ATOM 101 CE2 TYR A 7 7.790 -5.895 1.949 1.00 0.00 C ATOM 102 CZ TYR A 7 6.573 -6.434 1.593 1.00 0.00 C ATOM 103 OH TYR A 7 6.459 -7.170 0.434 1.00 0.00 O ATOM 0 H TYR A 7 8.879 -5.946 5.669 1.00 0.00 H new ATOM 0 HA TYR A 7 7.101 -4.262 7.320 1.00 0.00 H new ATOM 0 HB2 TYR A 7 5.938 -3.621 5.347 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.647 -3.366 5.055 1.00 0.00 H new ATOM 0 HD1 TYR A 7 4.713 -5.351 4.165 1.00 0.00 H new ATOM 0 HD2 TYR A 7 8.850 -4.734 3.390 1.00 0.00 H new ATOM 0 HE1 TYR A 7 4.516 -6.651 2.107 1.00 0.00 H new ATOM 0 HE2 TYR A 7 8.656 -6.048 1.322 1.00 0.00 H new ATOM 0 HH TYR A 7 5.524 -7.434 0.305 1.00 0.00 H new ATOM 113 N GLN A 8 5.115 -5.747 7.226 1.00 0.00 N ATOM 114 CA GLN A 8 4.056 -6.704 7.483 1.00 0.00 C ATOM 115 C GLN A 8 2.746 -6.173 6.924 1.00 0.00 C ATOM 116 O GLN A 8 2.417 -4.997 7.100 1.00 0.00 O ATOM 117 CB GLN A 8 3.882 -6.976 8.985 1.00 0.00 C ATOM 118 CG GLN A 8 5.018 -7.752 9.644 1.00 0.00 C ATOM 119 CD GLN A 8 6.091 -6.857 10.243 1.00 0.00 C ATOM 120 OE1 GLN A 8 7.152 -6.611 9.494 1.00 0.00 O flip ATOM 121 NE2 GLN A 8 5.982 -6.423 11.388 1.00 0.00 N flip ATOM 0 H GLN A 8 4.895 -4.798 7.529 1.00 0.00 H new ATOM 0 HA GLN A 8 4.331 -7.640 6.996 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.770 -6.022 9.499 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.954 -7.528 9.132 1.00 0.00 H new ATOM 0 HG2 GLN A 8 4.607 -8.389 10.428 1.00 0.00 H new ATOM 0 HG3 GLN A 8 5.475 -8.411 8.905 1.00 0.00 H new ATOM 0 HE21 GLN A 8 5.148 -6.634 11.936 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.726 -5.852 11.790 1.00 0.00 H new ATOM 130 N ILE A 9 2.020 -7.036 6.244 1.00 0.00 N ATOM 131 CA ILE A 9 0.723 -6.685 5.683 1.00 0.00 C ATOM 132 C ILE A 9 -0.393 -7.064 6.651 1.00 0.00 C ATOM 133 O ILE A 9 -0.688 -8.248 6.836 1.00 0.00 O ATOM 134 CB ILE A 9 0.450 -7.394 4.343 1.00 0.00 C ATOM 135 CG1 ILE A 9 1.542 -7.093 3.320 1.00 0.00 C ATOM 136 CG2 ILE A 9 -0.898 -6.971 3.799 1.00 0.00 C ATOM 137 CD1 ILE A 9 2.770 -7.955 3.481 1.00 0.00 C ATOM 0 H ILE A 9 2.307 -7.998 6.063 1.00 0.00 H new ATOM 0 HA ILE A 9 0.744 -5.609 5.513 1.00 0.00 H new ATOM 0 HB ILE A 9 0.447 -8.469 4.526 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.138 -7.233 2.317 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.829 -6.045 3.405 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.083 -7.477 2.851 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.678 -7.239 4.512 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.905 -5.892 3.642 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.505 -7.687 2.722 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.198 -7.798 4.471 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.496 -9.004 3.367 1.00 0.00 H new ATOM 149 N GLU A 10 -1.012 -6.066 7.257 1.00 0.00 N ATOM 150 CA GLU A 10 -2.080 -6.303 8.209 1.00 0.00 C ATOM 151 C GLU A 10 -3.399 -5.704 7.721 1.00 0.00 C ATOM 152 O GLU A 10 -3.439 -4.909 6.777 1.00 0.00 O ATOM 153 CB GLU A 10 -1.699 -5.713 9.568 1.00 0.00 C ATOM 154 CG GLU A 10 -1.746 -4.195 9.624 1.00 0.00 C ATOM 155 CD GLU A 10 -1.300 -3.651 10.964 1.00 0.00 C ATOM 156 OE1 GLU A 10 -0.080 -3.518 11.181 1.00 0.00 O ATOM 157 OE2 GLU A 10 -2.168 -3.353 11.810 1.00 0.00 O ATOM 0 H GLU A 10 -0.792 -5.082 7.105 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.220 -7.379 8.309 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.371 -6.114 10.327 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.693 -6.044 9.826 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.110 -3.786 8.839 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.762 -3.858 9.419 1.00 0.00 H new ATOM 164 N GLN A 11 -4.474 -6.108 8.370 1.00 0.00 N ATOM 165 CA GLN A 11 -5.792 -5.601 8.080 1.00 0.00 C ATOM 166 C GLN A 11 -5.972 -4.221 8.665 1.00 0.00 C ATOM 167 O GLN A 11 -5.512 -3.930 9.767 1.00 0.00 O ATOM 168 CB GLN A 11 -6.850 -6.526 8.666 1.00 0.00 C ATOM 169 CG GLN A 11 -7.549 -7.383 7.641 1.00 0.00 C ATOM 170 CD GLN A 11 -8.718 -6.661 7.025 1.00 0.00 C ATOM 171 OE1 GLN A 11 -8.413 -5.767 6.113 1.00 0.00 O flip ATOM 172 NE2 GLN A 11 -9.868 -6.844 7.417 1.00 0.00 N flip ATOM 0 H GLN A 11 -4.452 -6.802 9.117 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.903 -5.551 6.997 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.382 -7.173 9.408 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -7.593 -5.925 9.191 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.843 -7.668 6.861 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.895 -8.304 8.110 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -10.058 -7.550 8.128 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -10.633 -6.290 7.031 1.00 0.00 H new ATOM 181 N LEU A 12 -6.642 -3.378 7.911 1.00 0.00 N ATOM 182 CA LEU A 12 -6.992 -2.058 8.381 1.00 0.00 C ATOM 183 C LEU A 12 -8.287 -2.134 9.178 1.00 0.00 C ATOM 184 O LEU A 12 -8.581 -1.261 9.988 1.00 0.00 O ATOM 185 CB LEU A 12 -7.154 -1.123 7.194 1.00 0.00 C ATOM 186 CG LEU A 12 -6.817 0.348 7.429 1.00 0.00 C ATOM 187 CD1 LEU A 12 -6.297 0.593 8.839 1.00 0.00 C ATOM 188 CD2 LEU A 12 -5.786 0.775 6.412 1.00 0.00 C ATOM 0 H LEU A 12 -6.957 -3.586 6.963 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.202 -1.673 9.025 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.526 -1.491 6.383 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.187 -1.185 6.850 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.728 0.937 7.317 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.069 1.652 8.964 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.056 0.297 9.563 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.393 0.006 9.000 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.535 1.824 6.567 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.889 0.166 6.526 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.189 0.643 5.408 1.00 0.00 H new ATOM 200 N GLY A 13 -9.066 -3.186 8.942 1.00 0.00 N ATOM 201 CA GLY A 13 -10.276 -3.377 9.716 1.00 0.00 C ATOM 202 C GLY A 13 -11.352 -4.142 8.974 1.00 0.00 C ATOM 203 O GLY A 13 -11.670 -5.275 9.329 1.00 0.00 O ATOM 0 H GLY A 13 -8.883 -3.900 8.237 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.030 -3.910 10.635 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.669 -2.403 10.008 1.00 0.00 H new ATOM 207 N ASP A 14 -11.912 -3.525 7.947 1.00 0.00 N ATOM 208 CA ASP A 14 -13.022 -4.123 7.213 1.00 0.00 C ATOM 209 C ASP A 14 -12.664 -4.346 5.748 1.00 0.00 C ATOM 210 O ASP A 14 -12.631 -5.478 5.272 1.00 0.00 O ATOM 211 CB ASP A 14 -14.263 -3.232 7.324 1.00 0.00 C ATOM 212 CG ASP A 14 -15.435 -3.743 6.505 1.00 0.00 C ATOM 213 OD1 ASP A 14 -16.189 -4.605 7.005 1.00 0.00 O ATOM 214 OD2 ASP A 14 -15.619 -3.267 5.363 1.00 0.00 O ATOM 0 H ASP A 14 -11.619 -2.611 7.601 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.235 -5.096 7.656 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -14.561 -3.162 8.370 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.010 -2.224 6.996 1.00 0.00 H new ATOM 219 N SER A 15 -12.374 -3.267 5.039 1.00 0.00 N ATOM 220 CA SER A 15 -12.123 -3.348 3.608 1.00 0.00 C ATOM 221 C SER A 15 -10.996 -2.412 3.198 1.00 0.00 C ATOM 222 O SER A 15 -11.051 -1.759 2.158 1.00 0.00 O ATOM 223 CB SER A 15 -13.400 -3.030 2.841 1.00 0.00 C ATOM 224 OG SER A 15 -14.150 -2.026 3.504 1.00 0.00 O ATOM 0 H SER A 15 -12.307 -2.327 5.429 1.00 0.00 H new ATOM 0 HA SER A 15 -11.811 -4.364 3.365 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.151 -2.698 1.833 1.00 0.00 H new ATOM 0 HB3 SER A 15 -14.003 -3.933 2.739 1.00 0.00 H new ATOM 0 HG SER A 15 -14.754 -2.444 4.153 1.00 0.00 H new ATOM 230 N ALA A 16 -9.979 -2.352 4.036 1.00 0.00 N ATOM 231 CA ALA A 16 -8.788 -1.579 3.753 1.00 0.00 C ATOM 232 C ALA A 16 -7.573 -2.339 4.248 1.00 0.00 C ATOM 233 O ALA A 16 -7.698 -3.240 5.084 1.00 0.00 O ATOM 234 CB ALA A 16 -8.878 -0.198 4.388 1.00 0.00 C ATOM 0 H ALA A 16 -9.956 -2.838 4.932 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.696 -1.432 2.677 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.973 0.366 4.163 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.743 0.331 3.988 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.982 -0.300 5.468 1.00 0.00 H new ATOM 240 N MET A 17 -6.405 -1.999 3.738 1.00 0.00 N ATOM 241 CA MET A 17 -5.196 -2.740 4.089 1.00 0.00 C ATOM 242 C MET A 17 -4.067 -1.818 4.535 1.00 0.00 C ATOM 243 O MET A 17 -3.827 -0.782 3.930 1.00 0.00 O ATOM 244 CB MET A 17 -4.764 -3.597 2.897 1.00 0.00 C ATOM 245 CG MET A 17 -3.395 -4.229 3.030 1.00 0.00 C ATOM 246 SD MET A 17 -3.170 -5.619 1.908 1.00 0.00 S ATOM 247 CE MET A 17 -3.362 -4.826 0.322 1.00 0.00 C ATOM 0 H MET A 17 -6.262 -1.226 3.088 1.00 0.00 H new ATOM 0 HA MET A 17 -5.424 -3.385 4.938 1.00 0.00 H new ATOM 0 HB2 MET A 17 -5.500 -4.387 2.750 1.00 0.00 H new ATOM 0 HB3 MET A 17 -4.777 -2.978 2.000 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.630 -3.478 2.832 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.252 -4.567 4.056 1.00 0.00 H new ATOM 0 HE1 MET A 17 -3.092 -5.525 -0.469 1.00 0.00 H new ATOM 0 HE2 MET A 17 -4.399 -4.516 0.194 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.713 -3.952 0.271 1.00 0.00 H new ATOM 257 N MET A 18 -3.378 -2.203 5.600 1.00 0.00 N ATOM 258 CA MET A 18 -2.261 -1.415 6.098 1.00 0.00 C ATOM 259 C MET A 18 -0.986 -2.241 6.113 1.00 0.00 C ATOM 260 O MET A 18 -0.961 -3.361 6.610 1.00 0.00 O ATOM 261 CB MET A 18 -2.551 -0.872 7.498 1.00 0.00 C ATOM 262 CG MET A 18 -1.347 -0.214 8.158 1.00 0.00 C ATOM 263 SD MET A 18 -1.713 0.442 9.797 1.00 0.00 S ATOM 264 CE MET A 18 -2.790 1.812 9.382 1.00 0.00 C ATOM 0 H MET A 18 -3.572 -3.051 6.133 1.00 0.00 H new ATOM 0 HA MET A 18 -2.124 -0.570 5.423 1.00 0.00 H new ATOM 0 HB2 MET A 18 -3.362 -0.147 7.436 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.900 -1.688 8.130 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.539 -0.942 8.236 1.00 0.00 H new ATOM 0 HG3 MET A 18 -0.987 0.594 7.521 1.00 0.00 H new ATOM 0 HE1 MET A 18 -3.159 2.275 10.297 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.235 2.548 8.801 1.00 0.00 H new ATOM 0 HE3 MET A 18 -3.633 1.447 8.795 1.00 0.00 H new ATOM 274 N ILE A 19 0.064 -1.681 5.555 1.00 0.00 N ATOM 275 CA ILE A 19 1.351 -2.348 5.515 1.00 0.00 C ATOM 276 C ILE A 19 2.367 -1.541 6.300 1.00 0.00 C ATOM 277 O ILE A 19 2.617 -0.383 5.991 1.00 0.00 O ATOM 278 CB ILE A 19 1.847 -2.514 4.070 1.00 0.00 C ATOM 279 CG1 ILE A 19 0.790 -3.217 3.226 1.00 0.00 C ATOM 280 CG2 ILE A 19 3.145 -3.302 4.041 1.00 0.00 C ATOM 281 CD1 ILE A 19 0.733 -2.699 1.810 1.00 0.00 C ATOM 0 H ILE A 19 0.053 -0.759 5.119 1.00 0.00 H new ATOM 0 HA ILE A 19 1.233 -3.337 5.957 1.00 0.00 H new ATOM 0 HB ILE A 19 2.030 -1.524 3.653 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.998 -4.287 3.209 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.186 -3.090 3.694 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.482 -3.410 3.010 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.904 -2.774 4.617 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.981 -4.289 4.475 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.037 -3.236 1.257 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.496 -1.635 1.821 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.699 -2.851 1.328 1.00 0.00 H new ATOM 293 N ARG A 20 2.952 -2.146 7.309 1.00 0.00 N ATOM 294 CA ARG A 20 3.900 -1.437 8.153 1.00 0.00 C ATOM 295 C ARG A 20 5.283 -2.029 8.027 1.00 0.00 C ATOM 296 O ARG A 20 5.505 -3.212 8.274 1.00 0.00 O ATOM 297 CB ARG A 20 3.446 -1.395 9.616 1.00 0.00 C ATOM 298 CG ARG A 20 2.703 -2.635 10.055 1.00 0.00 C ATOM 299 CD ARG A 20 3.542 -3.568 10.912 1.00 0.00 C ATOM 300 NE ARG A 20 2.710 -4.555 11.571 1.00 0.00 N ATOM 301 CZ ARG A 20 3.012 -5.167 12.718 1.00 0.00 C ATOM 302 NH1 ARG A 20 4.166 -4.923 13.326 1.00 0.00 N ATOM 303 NH2 ARG A 20 2.158 -6.038 13.251 1.00 0.00 N ATOM 0 H ARG A 20 2.793 -3.120 7.568 1.00 0.00 H new ATOM 0 HA ARG A 20 3.939 -0.406 7.801 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.319 -1.259 10.255 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.805 -0.526 9.764 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.816 -2.339 10.614 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.359 -3.175 9.173 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.285 -4.069 10.291 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.088 -2.990 11.658 1.00 0.00 H new ATOM 0 HE ARG A 20 1.827 -4.801 11.124 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.829 -4.264 12.917 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.390 -5.394 14.202 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.274 -6.237 12.783 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.388 -6.506 14.128 1.00 0.00 H new ATOM 317 N PHE A 21 6.185 -1.179 7.607 1.00 0.00 N ATOM 318 CA PHE A 21 7.582 -1.522 7.415 1.00 0.00 C ATOM 319 C PHE A 21 8.345 -1.363 8.732 1.00 0.00 C ATOM 320 O PHE A 21 7.739 -1.141 9.780 1.00 0.00 O ATOM 321 CB PHE A 21 8.183 -0.604 6.345 1.00 0.00 C ATOM 322 CG PHE A 21 7.701 -0.842 4.944 1.00 0.00 C ATOM 323 CD1 PHE A 21 6.442 -0.440 4.558 1.00 0.00 C ATOM 324 CD2 PHE A 21 8.529 -1.438 4.004 1.00 0.00 C ATOM 325 CE1 PHE A 21 6.010 -0.629 3.270 1.00 0.00 C ATOM 326 CE2 PHE A 21 8.097 -1.634 2.707 1.00 0.00 C ATOM 327 CZ PHE A 21 6.834 -1.228 2.339 1.00 0.00 C ATOM 0 H PHE A 21 5.970 -0.207 7.383 1.00 0.00 H new ATOM 0 HA PHE A 21 7.661 -2.559 7.090 1.00 0.00 H new ATOM 0 HB2 PHE A 21 7.966 0.430 6.615 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.267 -0.717 6.362 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.787 0.029 5.277 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.522 -1.752 4.290 1.00 0.00 H new ATOM 0 HE1 PHE A 21 5.020 -0.307 2.983 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.747 -2.104 1.984 1.00 0.00 H new ATOM 0 HZ PHE A 21 6.490 -1.378 1.326 1.00 0.00 H new ATOM 337 N GLY A 22 9.666 -1.480 8.677 1.00 0.00 N ATOM 338 CA GLY A 22 10.478 -1.282 9.866 1.00 0.00 C ATOM 339 C GLY A 22 10.642 0.189 10.180 1.00 0.00 C ATOM 340 O GLY A 22 9.660 0.850 10.513 1.00 0.00 O ATOM 0 H GLY A 22 10.190 -1.708 7.832 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.015 -1.788 10.714 1.00 0.00 H new ATOM 0 HA3 GLY A 22 11.458 -1.736 9.720 1.00 0.00 H new ATOM 344 N GLU A 23 11.890 0.675 10.098 1.00 0.00 N ATOM 345 CA GLU A 23 12.216 2.114 10.136 1.00 0.00 C ATOM 346 C GLU A 23 13.670 2.326 10.543 1.00 0.00 C ATOM 347 O GLU A 23 14.356 3.190 10.000 1.00 0.00 O ATOM 348 CB GLU A 23 11.322 2.924 11.094 1.00 0.00 C ATOM 349 CG GLU A 23 11.443 2.519 12.559 1.00 0.00 C ATOM 350 CD GLU A 23 10.668 3.430 13.484 1.00 0.00 C ATOM 351 OE1 GLU A 23 11.217 4.476 13.890 1.00 0.00 O ATOM 352 OE2 GLU A 23 9.513 3.105 13.819 1.00 0.00 O ATOM 0 H GLU A 23 12.711 0.077 10.003 1.00 0.00 H new ATOM 0 HA GLU A 23 12.037 2.478 9.124 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.572 3.981 11.000 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.283 2.813 10.783 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.085 1.497 12.679 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.494 2.525 12.847 1.00 0.00 H new ATOM 359 N GLU A 24 14.126 1.541 11.507 1.00 0.00 N ATOM 360 CA GLU A 24 15.453 1.716 12.078 1.00 0.00 C ATOM 361 C GLU A 24 16.511 1.034 11.226 1.00 0.00 C ATOM 362 O GLU A 24 16.343 -0.122 10.830 1.00 0.00 O ATOM 363 CB GLU A 24 15.482 1.161 13.500 1.00 0.00 C ATOM 364 CG GLU A 24 14.500 1.848 14.432 1.00 0.00 C ATOM 365 CD GLU A 24 14.495 1.241 15.814 1.00 0.00 C ATOM 366 OE1 GLU A 24 15.436 1.513 16.587 1.00 0.00 O ATOM 367 OE2 GLU A 24 13.545 0.496 16.140 1.00 0.00 O ATOM 0 H GLU A 24 13.593 0.772 11.913 1.00 0.00 H new ATOM 0 HA GLU A 24 15.678 2.782 12.103 1.00 0.00 H new ATOM 0 HB2 GLU A 24 15.260 0.094 13.471 1.00 0.00 H new ATOM 0 HB3 GLU A 24 16.489 1.266 13.903 1.00 0.00 H new ATOM 0 HG2 GLU A 24 14.752 2.906 14.504 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.498 1.787 14.008 1.00 0.00 H new ATOM 374 N ILE A 25 17.593 1.771 10.943 1.00 0.00 N ATOM 375 CA ILE A 25 18.712 1.268 10.153 1.00 0.00 C ATOM 376 C ILE A 25 18.212 0.745 8.816 1.00 0.00 C ATOM 377 O ILE A 25 18.764 -0.187 8.229 1.00 0.00 O ATOM 378 CB ILE A 25 19.467 0.160 10.911 1.00 0.00 C ATOM 379 CG1 ILE A 25 19.480 0.487 12.400 1.00 0.00 C ATOM 380 CG2 ILE A 25 20.887 0.051 10.389 1.00 0.00 C ATOM 381 CD1 ILE A 25 19.917 -0.663 13.285 1.00 0.00 C ATOM 0 H ILE A 25 17.712 2.734 11.258 1.00 0.00 H new ATOM 0 HA ILE A 25 19.405 2.091 9.977 1.00 0.00 H new ATOM 0 HB ILE A 25 18.964 -0.794 10.756 1.00 0.00 H new ATOM 0 HG12 ILE A 25 20.145 1.334 12.569 1.00 0.00 H new ATOM 0 HG13 ILE A 25 18.481 0.802 12.700 1.00 0.00 H new ATOM 0 HG21 ILE A 25 21.414 -0.735 10.930 1.00 0.00 H new ATOM 0 HG22 ILE A 25 20.866 -0.191 9.326 1.00 0.00 H new ATOM 0 HG23 ILE A 25 21.402 1.000 10.535 1.00 0.00 H new ATOM 0 HD11 ILE A 25 19.898 -0.347 14.328 1.00 0.00 H new ATOM 0 HD12 ILE A 25 19.238 -1.505 13.149 1.00 0.00 H new ATOM 0 HD13 ILE A 25 20.929 -0.965 13.016 1.00 0.00 H new ATOM 393 N ASN A 26 17.155 1.369 8.348 1.00 0.00 N ATOM 394 CA ASN A 26 16.473 0.926 7.148 1.00 0.00 C ATOM 395 C ASN A 26 16.003 2.118 6.328 1.00 0.00 C ATOM 396 O ASN A 26 14.865 2.569 6.456 1.00 0.00 O ATOM 397 CB ASN A 26 15.285 0.049 7.534 1.00 0.00 C ATOM 398 CG ASN A 26 14.689 -0.703 6.371 1.00 0.00 C ATOM 399 OD1 ASN A 26 14.816 -0.322 5.211 1.00 0.00 O ATOM 400 ND2 ASN A 26 13.987 -1.763 6.699 1.00 0.00 N ATOM 0 H ASN A 26 16.744 2.194 8.784 1.00 0.00 H new ATOM 0 HA ASN A 26 17.167 0.347 6.539 1.00 0.00 H new ATOM 0 HB2 ASN A 26 15.603 -0.665 8.294 1.00 0.00 H new ATOM 0 HB3 ASN A 26 14.514 0.673 7.986 1.00 0.00 H new ATOM 0 HD21 ASN A 26 13.519 -2.308 5.975 1.00 0.00 H new ATOM 0 HD22 ASN A 26 13.910 -2.041 7.677 1.00 0.00 H new ATOM 407 N GLU A 27 16.895 2.628 5.497 1.00 0.00 N ATOM 408 CA GLU A 27 16.583 3.743 4.615 1.00 0.00 C ATOM 409 C GLU A 27 15.611 3.297 3.524 1.00 0.00 C ATOM 410 O GLU A 27 14.883 4.107 2.950 1.00 0.00 O ATOM 411 CB GLU A 27 17.876 4.271 3.988 1.00 0.00 C ATOM 412 CG GLU A 27 17.748 5.655 3.377 1.00 0.00 C ATOM 413 CD GLU A 27 17.327 6.693 4.394 1.00 0.00 C ATOM 414 OE1 GLU A 27 17.904 6.715 5.504 1.00 0.00 O ATOM 415 OE2 GLU A 27 16.424 7.495 4.088 1.00 0.00 O ATOM 0 H GLU A 27 17.852 2.284 5.413 1.00 0.00 H new ATOM 0 HA GLU A 27 16.112 4.538 5.192 1.00 0.00 H new ATOM 0 HB2 GLU A 27 18.655 4.293 4.751 1.00 0.00 H new ATOM 0 HB3 GLU A 27 18.204 3.574 3.217 1.00 0.00 H new ATOM 0 HG2 GLU A 27 18.702 5.946 2.938 1.00 0.00 H new ATOM 0 HG3 GLU A 27 17.019 5.626 2.567 1.00 0.00 H new ATOM 422 N GLN A 28 15.597 1.992 3.266 1.00 0.00 N ATOM 423 CA GLN A 28 14.768 1.422 2.214 1.00 0.00 C ATOM 424 C GLN A 28 13.281 1.594 2.509 1.00 0.00 C ATOM 425 O GLN A 28 12.518 2.005 1.637 1.00 0.00 O ATOM 426 CB GLN A 28 15.102 -0.050 2.009 1.00 0.00 C ATOM 427 CG GLN A 28 15.766 -0.317 0.672 1.00 0.00 C ATOM 428 CD GLN A 28 14.810 -0.161 -0.495 1.00 0.00 C ATOM 429 OE1 GLN A 28 14.155 -1.116 -0.911 1.00 0.00 O ATOM 430 NE2 GLN A 28 14.724 1.045 -1.034 1.00 0.00 N ATOM 0 H GLN A 28 16.155 1.307 3.776 1.00 0.00 H new ATOM 0 HA GLN A 28 14.987 1.965 1.295 1.00 0.00 H new ATOM 0 HB2 GLN A 28 15.761 -0.384 2.811 1.00 0.00 H new ATOM 0 HB3 GLN A 28 14.188 -0.639 2.081 1.00 0.00 H new ATOM 0 HG2 GLN A 28 16.605 0.367 0.544 1.00 0.00 H new ATOM 0 HG3 GLN A 28 16.175 -1.327 0.669 1.00 0.00 H new ATOM 0 HE21 GLN A 28 15.284 1.812 -0.661 1.00 0.00 H new ATOM 0 HE22 GLN A 28 14.098 1.208 -1.823 1.00 0.00 H new ATOM 439 N VAL A 29 12.866 1.285 3.741 1.00 0.00 N ATOM 440 CA VAL A 29 11.467 1.463 4.120 1.00 0.00 C ATOM 441 C VAL A 29 11.104 2.934 4.063 1.00 0.00 C ATOM 442 O VAL A 29 10.088 3.308 3.489 1.00 0.00 O ATOM 443 CB VAL A 29 11.131 0.915 5.538 1.00 0.00 C ATOM 444 CG1 VAL A 29 11.368 -0.576 5.611 1.00 0.00 C ATOM 445 CG2 VAL A 29 11.920 1.618 6.632 1.00 0.00 C ATOM 0 H VAL A 29 13.468 0.918 4.478 1.00 0.00 H new ATOM 0 HA VAL A 29 10.881 0.885 3.405 1.00 0.00 H new ATOM 0 HB VAL A 29 10.074 1.119 5.708 1.00 0.00 H new ATOM 0 HG11 VAL A 29 11.126 -0.934 6.612 1.00 0.00 H new ATOM 0 HG12 VAL A 29 10.735 -1.081 4.882 1.00 0.00 H new ATOM 0 HG13 VAL A 29 12.414 -0.789 5.392 1.00 0.00 H new ATOM 0 HG21 VAL A 29 11.650 1.200 7.602 1.00 0.00 H new ATOM 0 HG22 VAL A 29 12.987 1.475 6.460 1.00 0.00 H new ATOM 0 HG23 VAL A 29 11.690 2.683 6.619 1.00 0.00 H new ATOM 455 N ASN A 30 11.989 3.750 4.616 1.00 0.00 N ATOM 456 CA ASN A 30 11.784 5.187 4.732 1.00 0.00 C ATOM 457 C ASN A 30 11.458 5.814 3.379 1.00 0.00 C ATOM 458 O ASN A 30 10.564 6.660 3.270 1.00 0.00 O ATOM 459 CB ASN A 30 13.043 5.826 5.316 1.00 0.00 C ATOM 460 CG ASN A 30 12.941 7.331 5.460 1.00 0.00 C ATOM 461 OD1 ASN A 30 11.873 7.877 5.751 1.00 0.00 O ATOM 462 ND2 ASN A 30 14.051 8.012 5.239 1.00 0.00 N ATOM 0 H ASN A 30 12.878 3.431 5.001 1.00 0.00 H new ATOM 0 HA ASN A 30 10.935 5.365 5.392 1.00 0.00 H new ATOM 0 HB2 ASN A 30 13.244 5.387 6.293 1.00 0.00 H new ATOM 0 HB3 ASN A 30 13.893 5.586 4.678 1.00 0.00 H new ATOM 0 HD21 ASN A 30 14.047 9.030 5.306 1.00 0.00 H new ATOM 0 HD22 ASN A 30 14.912 7.520 5.001 1.00 0.00 H new ATOM 469 N GLY A 31 12.172 5.386 2.351 1.00 0.00 N ATOM 470 CA GLY A 31 11.958 5.936 1.033 1.00 0.00 C ATOM 471 C GLY A 31 10.773 5.311 0.327 1.00 0.00 C ATOM 472 O GLY A 31 9.913 6.020 -0.199 1.00 0.00 O ATOM 0 H GLY A 31 12.895 4.668 2.407 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.803 7.012 1.113 1.00 0.00 H new ATOM 0 HA3 GLY A 31 12.855 5.787 0.431 1.00 0.00 H new ATOM 476 N ILE A 32 10.697 3.987 0.345 1.00 0.00 N ATOM 477 CA ILE A 32 9.719 3.284 -0.470 1.00 0.00 C ATOM 478 C ILE A 32 8.300 3.397 0.080 1.00 0.00 C ATOM 479 O ILE A 32 7.353 3.385 -0.688 1.00 0.00 O ATOM 480 CB ILE A 32 10.106 1.803 -0.701 1.00 0.00 C ATOM 481 CG1 ILE A 32 10.164 1.517 -2.206 1.00 0.00 C ATOM 482 CG2 ILE A 32 9.154 0.838 0.000 1.00 0.00 C ATOM 483 CD1 ILE A 32 8.869 1.804 -2.964 1.00 0.00 C ATOM 0 H ILE A 32 11.295 3.384 0.910 1.00 0.00 H new ATOM 0 HA ILE A 32 9.728 3.785 -1.438 1.00 0.00 H new ATOM 0 HB ILE A 32 11.090 1.641 -0.262 1.00 0.00 H new ATOM 0 HG12 ILE A 32 10.964 2.113 -2.644 1.00 0.00 H new ATOM 0 HG13 ILE A 32 10.430 0.470 -2.352 1.00 0.00 H new ATOM 0 HG21 ILE A 32 9.468 -0.188 -0.193 1.00 0.00 H new ATOM 0 HG22 ILE A 32 9.170 1.027 1.073 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.143 0.985 -0.379 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.006 1.572 -4.020 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.066 1.188 -2.559 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.609 2.857 -2.855 1.00 0.00 H new ATOM 495 N VAL A 33 8.135 3.531 1.388 1.00 0.00 N ATOM 496 CA VAL A 33 6.795 3.702 1.940 1.00 0.00 C ATOM 497 C VAL A 33 6.194 5.009 1.433 1.00 0.00 C ATOM 498 O VAL A 33 4.991 5.114 1.208 1.00 0.00 O ATOM 499 CB VAL A 33 6.789 3.688 3.481 1.00 0.00 C ATOM 500 CG1 VAL A 33 7.669 4.785 4.037 1.00 0.00 C ATOM 501 CG2 VAL A 33 5.375 3.820 4.010 1.00 0.00 C ATOM 0 H VAL A 33 8.890 3.525 2.074 1.00 0.00 H new ATOM 0 HA VAL A 33 6.193 2.857 1.605 1.00 0.00 H new ATOM 0 HB VAL A 33 7.193 2.731 3.811 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.647 4.752 5.126 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.692 4.641 3.691 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.303 5.753 3.695 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.392 3.808 5.100 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.943 4.759 3.664 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.772 2.988 3.647 1.00 0.00 H new ATOM 511 N HIS A 34 7.058 5.989 1.218 1.00 0.00 N ATOM 512 CA HIS A 34 6.638 7.284 0.715 1.00 0.00 C ATOM 513 C HIS A 34 6.471 7.241 -0.799 1.00 0.00 C ATOM 514 O HIS A 34 5.608 7.918 -1.355 1.00 0.00 O ATOM 515 CB HIS A 34 7.648 8.363 1.117 1.00 0.00 C ATOM 516 CG HIS A 34 7.556 8.772 2.552 1.00 0.00 C ATOM 517 ND1 HIS A 34 8.496 8.422 3.500 1.00 0.00 N ATOM 518 CD2 HIS A 34 6.630 9.514 3.200 1.00 0.00 C ATOM 519 CE1 HIS A 34 8.147 8.930 4.666 1.00 0.00 C ATOM 520 NE2 HIS A 34 7.021 9.597 4.511 1.00 0.00 N ATOM 0 H HIS A 34 8.061 5.909 1.386 1.00 0.00 H new ATOM 0 HA HIS A 34 5.673 7.532 1.157 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.655 7.997 0.917 1.00 0.00 H new ATOM 0 HB3 HIS A 34 7.497 9.241 0.488 1.00 0.00 H new ATOM 0 HD1 HIS A 34 9.329 7.859 3.326 1.00 0.00 H new ATOM 0 HD2 HIS A 34 5.747 9.958 2.766 1.00 0.00 H new ATOM 0 HE1 HIS A 34 8.692 8.818 5.592 1.00 0.00 H new ATOM 529 N ALA A 35 7.284 6.423 -1.461 1.00 0.00 N ATOM 530 CA ALA A 35 7.223 6.299 -2.910 1.00 0.00 C ATOM 531 C ALA A 35 6.105 5.352 -3.334 1.00 0.00 C ATOM 532 O ALA A 35 5.587 5.446 -4.444 1.00 0.00 O ATOM 533 CB ALA A 35 8.559 5.819 -3.453 1.00 0.00 C ATOM 0 H ALA A 35 7.991 5.838 -1.016 1.00 0.00 H new ATOM 0 HA ALA A 35 7.006 7.283 -3.326 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.500 5.730 -4.538 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.337 6.535 -3.189 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.799 4.847 -3.022 1.00 0.00 H new ATOM 539 N ALA A 36 5.731 4.449 -2.436 1.00 0.00 N ATOM 540 CA ALA A 36 4.719 3.438 -2.722 1.00 0.00 C ATOM 541 C ALA A 36 3.347 4.064 -2.913 1.00 0.00 C ATOM 542 O ALA A 36 2.472 3.470 -3.540 1.00 0.00 O ATOM 543 CB ALA A 36 4.672 2.395 -1.617 1.00 0.00 C ATOM 0 H ALA A 36 6.118 4.396 -1.494 1.00 0.00 H new ATOM 0 HA ALA A 36 4.999 2.948 -3.655 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.910 1.651 -1.851 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.643 1.907 -1.536 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.428 2.878 -0.671 1.00 0.00 H new ATOM 549 N ALA A 37 3.171 5.272 -2.393 1.00 0.00 N ATOM 550 CA ALA A 37 1.918 5.986 -2.542 1.00 0.00 C ATOM 551 C ALA A 37 1.681 6.268 -4.012 1.00 0.00 C ATOM 552 O ALA A 37 0.573 6.128 -4.525 1.00 0.00 O ATOM 553 CB ALA A 37 1.950 7.282 -1.750 1.00 0.00 C ATOM 0 H ALA A 37 3.884 5.775 -1.864 1.00 0.00 H new ATOM 0 HA ALA A 37 1.103 5.375 -2.155 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.002 7.806 -1.872 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.108 7.060 -0.695 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.762 7.911 -2.114 1.00 0.00 H new ATOM 559 N ALA A 38 2.747 6.655 -4.687 1.00 0.00 N ATOM 560 CA ALA A 38 2.691 6.872 -6.114 1.00 0.00 C ATOM 561 C ALA A 38 2.895 5.563 -6.868 1.00 0.00 C ATOM 562 O ALA A 38 2.329 5.361 -7.940 1.00 0.00 O ATOM 563 CB ALA A 38 3.720 7.902 -6.537 1.00 0.00 C ATOM 0 H ALA A 38 3.661 6.825 -4.267 1.00 0.00 H new ATOM 0 HA ALA A 38 1.701 7.255 -6.363 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.663 8.052 -7.615 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.521 8.845 -6.028 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.717 7.550 -6.272 1.00 0.00 H new ATOM 569 N TYR A 39 3.696 4.672 -6.291 1.00 0.00 N ATOM 570 CA TYR A 39 3.971 3.373 -6.896 1.00 0.00 C ATOM 571 C TYR A 39 2.665 2.646 -7.217 1.00 0.00 C ATOM 572 O TYR A 39 2.465 2.169 -8.332 1.00 0.00 O ATOM 573 CB TYR A 39 4.827 2.517 -5.958 1.00 0.00 C ATOM 574 CG TYR A 39 5.461 1.325 -6.638 1.00 0.00 C ATOM 575 CD1 TYR A 39 4.719 0.191 -6.934 1.00 0.00 C ATOM 576 CD2 TYR A 39 6.805 1.340 -6.989 1.00 0.00 C ATOM 577 CE1 TYR A 39 5.295 -0.892 -7.563 1.00 0.00 C ATOM 578 CE2 TYR A 39 7.389 0.257 -7.618 1.00 0.00 C ATOM 579 CZ TYR A 39 6.628 -0.856 -7.903 1.00 0.00 C ATOM 580 OH TYR A 39 7.199 -1.936 -8.536 1.00 0.00 O ATOM 0 H TYR A 39 4.168 4.827 -5.400 1.00 0.00 H new ATOM 0 HA TYR A 39 4.520 3.537 -7.823 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.612 3.139 -5.527 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.208 2.167 -5.132 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.673 0.156 -6.667 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.403 2.212 -6.767 1.00 0.00 H new ATOM 0 HE1 TYR A 39 4.702 -1.766 -7.788 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.435 0.283 -7.885 1.00 0.00 H new ATOM 0 HH TYR A 39 8.146 -1.751 -8.708 1.00 0.00 H new ATOM 590 N ILE A 40 1.767 2.595 -6.238 1.00 0.00 N ATOM 591 CA ILE A 40 0.507 1.882 -6.390 1.00 0.00 C ATOM 592 C ILE A 40 -0.416 2.581 -7.384 1.00 0.00 C ATOM 593 O ILE A 40 -1.142 1.928 -8.129 1.00 0.00 O ATOM 594 CB ILE A 40 -0.215 1.752 -5.034 1.00 0.00 C ATOM 595 CG1 ILE A 40 0.638 0.936 -4.070 1.00 0.00 C ATOM 596 CG2 ILE A 40 -1.591 1.115 -5.199 1.00 0.00 C ATOM 597 CD1 ILE A 40 0.248 1.134 -2.628 1.00 0.00 C ATOM 0 H ILE A 40 1.891 3.041 -5.329 1.00 0.00 H new ATOM 0 HA ILE A 40 0.746 0.889 -6.772 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.360 2.752 -4.625 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.552 -0.121 -4.322 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.685 1.210 -4.199 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.075 1.037 -4.225 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.201 1.732 -5.859 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.482 0.120 -5.631 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.891 0.527 -1.991 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.361 2.185 -2.362 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.790 0.833 -2.487 1.00 0.00 H new ATOM 609 N GLU A 41 -0.372 3.906 -7.412 1.00 0.00 N ATOM 610 CA GLU A 41 -1.308 4.661 -8.231 1.00 0.00 C ATOM 611 C GLU A 41 -0.909 4.620 -9.704 1.00 0.00 C ATOM 612 O GLU A 41 -1.745 4.822 -10.587 1.00 0.00 O ATOM 613 CB GLU A 41 -1.425 6.108 -7.739 1.00 0.00 C ATOM 614 CG GLU A 41 -0.266 7.008 -8.139 1.00 0.00 C ATOM 615 CD GLU A 41 -0.487 8.450 -7.734 1.00 0.00 C ATOM 616 OE1 GLU A 41 -1.526 9.028 -8.120 1.00 0.00 O ATOM 617 OE2 GLU A 41 0.371 9.018 -7.030 1.00 0.00 O ATOM 0 H GLU A 41 0.292 4.473 -6.885 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.287 4.191 -8.135 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.350 6.536 -8.125 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.506 6.103 -6.652 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.651 6.641 -7.678 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.124 6.955 -9.218 1.00 0.00 H new ATOM 624 N GLU A 42 0.366 4.355 -9.970 1.00 0.00 N ATOM 625 CA GLU A 42 0.847 4.239 -11.341 1.00 0.00 C ATOM 626 C GLU A 42 0.405 2.917 -11.954 1.00 0.00 C ATOM 627 O GLU A 42 0.122 2.841 -13.149 1.00 0.00 O ATOM 628 CB GLU A 42 2.367 4.366 -11.404 1.00 0.00 C ATOM 629 CG GLU A 42 2.875 5.729 -10.974 1.00 0.00 C ATOM 630 CD GLU A 42 4.366 5.892 -11.170 1.00 0.00 C ATOM 631 OE1 GLU A 42 5.052 4.884 -11.448 1.00 0.00 O ATOM 632 OE2 GLU A 42 4.859 7.036 -11.061 1.00 0.00 O ATOM 0 H GLU A 42 1.082 4.217 -9.257 1.00 0.00 H new ATOM 0 HA GLU A 42 0.412 5.056 -11.917 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.815 3.602 -10.768 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.699 4.167 -12.423 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.353 6.500 -11.540 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.633 5.886 -9.923 1.00 0.00 H new ATOM 639 N GLN A 43 0.342 1.874 -11.131 1.00 0.00 N ATOM 640 CA GLN A 43 -0.162 0.581 -11.584 1.00 0.00 C ATOM 641 C GLN A 43 -1.256 0.114 -10.634 1.00 0.00 C ATOM 642 O GLN A 43 -1.040 -0.770 -9.805 1.00 0.00 O ATOM 643 CB GLN A 43 0.954 -0.474 -11.667 1.00 0.00 C ATOM 644 CG GLN A 43 2.287 0.073 -12.168 1.00 0.00 C ATOM 645 CD GLN A 43 3.227 0.450 -11.041 1.00 0.00 C ATOM 646 OE1 GLN A 43 3.212 -0.160 -9.973 1.00 0.00 O ATOM 647 NE2 GLN A 43 4.041 1.466 -11.266 1.00 0.00 N ATOM 0 H GLN A 43 0.632 1.898 -10.153 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.564 0.703 -12.590 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.100 -0.912 -10.680 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.631 -1.279 -12.328 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.767 -0.674 -12.801 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.104 0.949 -12.791 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.022 1.945 -12.166 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.689 1.771 -10.540 1.00 0.00 H new ATOM 656 N PRO A 44 -2.442 0.726 -10.726 1.00 0.00 N ATOM 657 CA PRO A 44 -3.532 0.489 -9.798 1.00 0.00 C ATOM 658 C PRO A 44 -4.527 -0.555 -10.285 1.00 0.00 C ATOM 659 O PRO A 44 -4.395 -1.122 -11.373 1.00 0.00 O ATOM 660 CB PRO A 44 -4.193 1.863 -9.751 1.00 0.00 C ATOM 661 CG PRO A 44 -4.025 2.414 -11.134 1.00 0.00 C ATOM 662 CD PRO A 44 -2.825 1.719 -11.745 1.00 0.00 C ATOM 0 HA PRO A 44 -3.186 0.099 -8.841 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.246 1.787 -9.481 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.719 2.505 -9.009 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.919 2.236 -11.731 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.872 3.493 -11.103 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.077 1.244 -12.693 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.015 2.420 -11.946 1.00 0.00 H new ATOM 670 N PHE A 45 -5.512 -0.804 -9.446 1.00 0.00 N ATOM 671 CA PHE A 45 -6.643 -1.638 -9.785 1.00 0.00 C ATOM 672 C PHE A 45 -7.883 -0.755 -9.842 1.00 0.00 C ATOM 673 O PHE A 45 -7.964 0.232 -9.110 1.00 0.00 O ATOM 674 CB PHE A 45 -6.804 -2.769 -8.758 1.00 0.00 C ATOM 675 CG PHE A 45 -6.500 -2.359 -7.343 1.00 0.00 C ATOM 676 CD1 PHE A 45 -7.462 -1.750 -6.562 1.00 0.00 C ATOM 677 CD2 PHE A 45 -5.247 -2.588 -6.798 1.00 0.00 C ATOM 678 CE1 PHE A 45 -7.183 -1.372 -5.263 1.00 0.00 C ATOM 679 CE2 PHE A 45 -4.961 -2.214 -5.501 1.00 0.00 C ATOM 680 CZ PHE A 45 -5.931 -1.604 -4.733 1.00 0.00 C ATOM 0 H PHE A 45 -5.548 -0.428 -8.499 1.00 0.00 H new ATOM 0 HA PHE A 45 -6.490 -2.109 -10.756 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.826 -3.145 -8.805 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.148 -3.594 -9.035 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -8.444 -1.567 -6.972 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.485 -3.065 -7.396 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.944 -0.895 -4.663 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.980 -2.398 -5.088 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.710 -1.308 -3.718 1.00 0.00 H new ATOM 690 N PRO A 46 -8.835 -1.067 -10.739 1.00 0.00 N ATOM 691 CA PRO A 46 -10.037 -0.239 -10.993 1.00 0.00 C ATOM 692 C PRO A 46 -10.960 -0.056 -9.781 1.00 0.00 C ATOM 693 O PRO A 46 -12.113 0.354 -9.932 1.00 0.00 O ATOM 694 CB PRO A 46 -10.771 -1.010 -12.094 1.00 0.00 C ATOM 695 CG PRO A 46 -9.719 -1.836 -12.731 1.00 0.00 C ATOM 696 CD PRO A 46 -8.811 -2.248 -11.612 1.00 0.00 C ATOM 0 HA PRO A 46 -9.746 0.778 -11.255 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -11.567 -1.630 -11.682 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -11.234 -0.333 -12.812 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -10.149 -2.705 -13.230 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -9.178 -1.269 -13.489 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.174 -3.139 -11.101 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.805 -2.472 -11.966 1.00 0.00 H new ATOM 704 N GLY A 47 -10.460 -0.371 -8.592 1.00 0.00 N ATOM 705 CA GLY A 47 -11.208 -0.145 -7.375 1.00 0.00 C ATOM 706 C GLY A 47 -10.354 0.510 -6.311 1.00 0.00 C ATOM 707 O GLY A 47 -10.666 0.451 -5.127 1.00 0.00 O ATOM 0 H GLY A 47 -9.538 -0.784 -8.451 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.071 0.486 -7.589 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.592 -1.094 -7.001 1.00 0.00 H new ATOM 711 N PHE A 48 -9.255 1.109 -6.740 1.00 0.00 N ATOM 712 CA PHE A 48 -8.349 1.807 -5.842 1.00 0.00 C ATOM 713 C PHE A 48 -8.988 3.097 -5.329 1.00 0.00 C ATOM 714 O PHE A 48 -9.624 3.826 -6.085 1.00 0.00 O ATOM 715 CB PHE A 48 -7.042 2.098 -6.588 1.00 0.00 C ATOM 716 CG PHE A 48 -6.145 3.104 -5.926 1.00 0.00 C ATOM 717 CD1 PHE A 48 -5.422 2.775 -4.792 1.00 0.00 C ATOM 718 CD2 PHE A 48 -6.013 4.378 -6.456 1.00 0.00 C ATOM 719 CE1 PHE A 48 -4.586 3.699 -4.198 1.00 0.00 C ATOM 720 CE2 PHE A 48 -5.181 5.306 -5.864 1.00 0.00 C ATOM 721 CZ PHE A 48 -4.466 4.968 -4.734 1.00 0.00 C ATOM 0 H PHE A 48 -8.966 1.125 -7.718 1.00 0.00 H new ATOM 0 HA PHE A 48 -8.136 1.182 -4.975 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.492 1.164 -6.705 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -7.284 2.453 -7.590 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.513 1.786 -4.368 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.568 4.647 -7.343 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.026 3.431 -3.315 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.090 6.296 -6.285 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.814 5.693 -4.269 1.00 0.00 H new ATOM 731 N ILE A 49 -8.821 3.360 -4.038 1.00 0.00 N ATOM 732 CA ILE A 49 -9.426 4.527 -3.411 1.00 0.00 C ATOM 733 C ILE A 49 -8.367 5.524 -2.953 1.00 0.00 C ATOM 734 O ILE A 49 -8.387 6.685 -3.358 1.00 0.00 O ATOM 735 CB ILE A 49 -10.294 4.102 -2.208 1.00 0.00 C ATOM 736 CG1 ILE A 49 -11.528 3.343 -2.695 1.00 0.00 C ATOM 737 CG2 ILE A 49 -10.696 5.293 -1.347 1.00 0.00 C ATOM 738 CD1 ILE A 49 -12.510 4.183 -3.482 1.00 0.00 C ATOM 0 H ILE A 49 -8.271 2.779 -3.405 1.00 0.00 H new ATOM 0 HA ILE A 49 -10.055 5.013 -4.157 1.00 0.00 H new ATOM 0 HB ILE A 49 -9.695 3.442 -1.580 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -11.204 2.508 -3.316 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -12.042 2.918 -1.833 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -11.306 4.949 -0.512 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.801 5.784 -0.965 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -11.269 5.999 -1.948 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.354 3.565 -3.788 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -12.868 5.003 -2.860 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -12.017 4.587 -4.366 1.00 0.00 H new ATOM 750 N GLU A 50 -7.446 5.069 -2.115 1.00 0.00 N ATOM 751 CA GLU A 50 -6.445 5.953 -1.533 1.00 0.00 C ATOM 752 C GLU A 50 -5.259 5.152 -1.007 1.00 0.00 C ATOM 753 O GLU A 50 -5.377 3.966 -0.729 1.00 0.00 O ATOM 754 CB GLU A 50 -7.076 6.772 -0.394 1.00 0.00 C ATOM 755 CG GLU A 50 -6.127 7.755 0.274 1.00 0.00 C ATOM 756 CD GLU A 50 -5.609 8.806 -0.682 1.00 0.00 C ATOM 757 OE1 GLU A 50 -4.616 8.537 -1.391 1.00 0.00 O ATOM 758 OE2 GLU A 50 -6.195 9.907 -0.731 1.00 0.00 O ATOM 0 H GLU A 50 -7.371 4.095 -1.823 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.084 6.630 -2.307 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.930 7.322 -0.789 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.460 6.086 0.361 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.640 8.244 1.102 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.285 7.209 0.699 1.00 0.00 H new ATOM 765 N CYS A 51 -4.118 5.801 -0.891 1.00 0.00 N ATOM 766 CA CYS A 51 -2.959 5.205 -0.260 1.00 0.00 C ATOM 767 C CYS A 51 -2.099 6.300 0.339 1.00 0.00 C ATOM 768 O CYS A 51 -1.603 7.178 -0.370 1.00 0.00 O ATOM 769 CB CYS A 51 -2.154 4.373 -1.259 1.00 0.00 C ATOM 770 SG CYS A 51 -1.757 5.235 -2.793 1.00 0.00 S ATOM 0 H CYS A 51 -3.969 6.751 -1.230 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.293 4.533 0.530 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -1.226 4.055 -0.784 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.716 3.470 -1.498 1.00 0.00 H new ATOM 0 HG CYS A 51 -2.559 4.835 -3.735 1.00 0.00 H new ATOM 776 N ILE A 52 -1.938 6.262 1.645 1.00 0.00 N ATOM 777 CA ILE A 52 -1.197 7.300 2.337 1.00 0.00 C ATOM 778 C ILE A 52 0.028 6.751 3.050 1.00 0.00 C ATOM 779 O ILE A 52 -0.052 5.774 3.801 1.00 0.00 O ATOM 780 CB ILE A 52 -2.092 8.067 3.324 1.00 0.00 C ATOM 781 CG1 ILE A 52 -2.997 7.107 4.099 1.00 0.00 C ATOM 782 CG2 ILE A 52 -2.913 9.089 2.561 1.00 0.00 C ATOM 783 CD1 ILE A 52 -3.759 7.761 5.230 1.00 0.00 C ATOM 0 H ILE A 52 -2.308 5.527 2.248 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.851 7.996 1.573 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.465 8.582 4.051 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.709 6.656 3.407 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.389 6.298 4.504 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.550 9.636 3.256 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.246 9.786 2.054 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.534 8.580 1.824 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.378 7.016 5.731 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.055 8.187 5.944 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.395 8.552 4.831 1.00 0.00 H new ATOM 795 N PRO A 53 1.184 7.376 2.794 1.00 0.00 N ATOM 796 CA PRO A 53 2.455 6.987 3.385 1.00 0.00 C ATOM 797 C PRO A 53 2.683 7.644 4.741 1.00 0.00 C ATOM 798 O PRO A 53 2.715 8.869 4.850 1.00 0.00 O ATOM 799 CB PRO A 53 3.463 7.498 2.362 1.00 0.00 C ATOM 800 CG PRO A 53 2.822 8.695 1.738 1.00 0.00 C ATOM 801 CD PRO A 53 1.331 8.535 1.898 1.00 0.00 C ATOM 0 HA PRO A 53 2.520 5.916 3.579 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.407 7.761 2.838 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.685 6.736 1.614 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.165 9.611 2.220 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.090 8.770 0.684 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.879 9.429 2.327 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.844 8.360 0.938 1.00 0.00 H new ATOM 809 N ALA A 54 2.854 6.837 5.771 1.00 0.00 N ATOM 810 CA ALA A 54 3.036 7.359 7.116 1.00 0.00 C ATOM 811 C ALA A 54 4.428 7.043 7.646 1.00 0.00 C ATOM 812 O ALA A 54 4.575 6.341 8.648 1.00 0.00 O ATOM 813 CB ALA A 54 1.966 6.811 8.049 1.00 0.00 C ATOM 0 H ALA A 54 2.871 5.819 5.705 1.00 0.00 H new ATOM 0 HA ALA A 54 2.935 8.444 7.074 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.117 7.212 9.051 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.981 7.105 7.686 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.032 5.723 8.079 1.00 0.00 H new ATOM 819 N PHE A 55 5.446 7.537 6.934 1.00 0.00 N ATOM 820 CA PHE A 55 6.847 7.461 7.367 1.00 0.00 C ATOM 821 C PHE A 55 7.413 6.052 7.212 1.00 0.00 C ATOM 822 O PHE A 55 8.501 5.880 6.671 1.00 0.00 O ATOM 823 CB PHE A 55 7.016 7.954 8.811 1.00 0.00 C ATOM 824 CG PHE A 55 8.453 8.050 9.249 1.00 0.00 C ATOM 825 CD1 PHE A 55 9.239 9.120 8.850 1.00 0.00 C ATOM 826 CD2 PHE A 55 9.017 7.074 10.056 1.00 0.00 C ATOM 827 CE1 PHE A 55 10.560 9.214 9.247 1.00 0.00 C ATOM 828 CE2 PHE A 55 10.339 7.164 10.454 1.00 0.00 C ATOM 829 CZ PHE A 55 11.109 8.235 10.049 1.00 0.00 C ATOM 0 H PHE A 55 5.321 8.004 6.036 1.00 0.00 H new ATOM 0 HA PHE A 55 7.416 8.122 6.713 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.548 8.934 8.909 1.00 0.00 H new ATOM 0 HB3 PHE A 55 6.485 7.279 9.482 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.814 9.889 8.222 1.00 0.00 H new ATOM 0 HD2 PHE A 55 8.418 6.235 10.377 1.00 0.00 H new ATOM 0 HE1 PHE A 55 11.161 10.053 8.930 1.00 0.00 H new ATOM 0 HE2 PHE A 55 10.768 6.397 11.081 1.00 0.00 H new ATOM 0 HZ PHE A 55 12.141 8.307 10.360 1.00 0.00 H new ATOM 839 N THR A 56 6.694 5.056 7.703 1.00 0.00 N ATOM 840 CA THR A 56 7.111 3.676 7.538 1.00 0.00 C ATOM 841 C THR A 56 5.919 2.762 7.239 1.00 0.00 C ATOM 842 O THR A 56 6.089 1.628 6.799 1.00 0.00 O ATOM 843 CB THR A 56 7.873 3.167 8.780 1.00 0.00 C ATOM 844 OG1 THR A 56 8.465 1.899 8.498 1.00 0.00 O ATOM 845 CG2 THR A 56 6.952 3.047 9.987 1.00 0.00 C ATOM 0 H THR A 56 5.822 5.178 8.217 1.00 0.00 H new ATOM 0 HA THR A 56 7.787 3.647 6.683 1.00 0.00 H new ATOM 0 HB THR A 56 8.651 3.892 9.019 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.558 1.389 9.330 1.00 0.00 H new ATOM 0 HG21 THR A 56 7.521 2.686 10.844 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.527 4.024 10.219 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.148 2.345 9.763 1.00 0.00 H new ATOM 853 N SER A 57 4.710 3.252 7.458 1.00 0.00 N ATOM 854 CA SER A 57 3.525 2.456 7.193 1.00 0.00 C ATOM 855 C SER A 57 2.784 2.979 5.970 1.00 0.00 C ATOM 856 O SER A 57 2.590 4.182 5.804 1.00 0.00 O ATOM 857 CB SER A 57 2.615 2.451 8.420 1.00 0.00 C ATOM 858 OG SER A 57 2.398 3.769 8.892 1.00 0.00 O ATOM 0 H SER A 57 4.525 4.189 7.816 1.00 0.00 H new ATOM 0 HA SER A 57 3.832 1.432 6.983 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.661 1.988 8.168 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.064 1.847 9.209 1.00 0.00 H new ATOM 0 HG SER A 57 1.437 3.919 9.015 1.00 0.00 H new ATOM 864 N LEU A 58 2.405 2.063 5.103 1.00 0.00 N ATOM 865 CA LEU A 58 1.652 2.393 3.914 1.00 0.00 C ATOM 866 C LEU A 58 0.196 2.027 4.138 1.00 0.00 C ATOM 867 O LEU A 58 -0.151 0.850 4.257 1.00 0.00 O ATOM 868 CB LEU A 58 2.217 1.643 2.709 1.00 0.00 C ATOM 869 CG LEU A 58 1.529 1.919 1.373 1.00 0.00 C ATOM 870 CD1 LEU A 58 1.722 3.372 0.956 1.00 0.00 C ATOM 871 CD2 LEU A 58 2.069 0.978 0.310 1.00 0.00 C ATOM 0 H LEU A 58 2.611 1.069 5.204 1.00 0.00 H new ATOM 0 HA LEU A 58 1.728 3.461 3.712 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.273 1.894 2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.161 0.573 2.911 1.00 0.00 H new ATOM 0 HG LEU A 58 0.459 1.743 1.487 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.224 3.546 0.002 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.294 4.028 1.714 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.786 3.583 0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.574 1.180 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.143 1.131 0.200 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.878 -0.053 0.606 1.00 0.00 H new ATOM 883 N THR A 59 -0.642 3.036 4.219 1.00 0.00 N ATOM 884 CA THR A 59 -2.047 2.832 4.496 1.00 0.00 C ATOM 885 C THR A 59 -2.830 2.789 3.186 1.00 0.00 C ATOM 886 O THR A 59 -3.017 3.818 2.534 1.00 0.00 O ATOM 887 CB THR A 59 -2.567 3.967 5.394 1.00 0.00 C ATOM 888 OG1 THR A 59 -1.548 4.341 6.331 1.00 0.00 O ATOM 889 CG2 THR A 59 -3.807 3.543 6.156 1.00 0.00 C ATOM 0 H THR A 59 -0.373 4.012 4.096 1.00 0.00 H new ATOM 0 HA THR A 59 -2.181 1.883 5.015 1.00 0.00 H new ATOM 0 HB THR A 59 -2.825 4.812 4.755 1.00 0.00 H new ATOM 0 HG1 THR A 59 -1.879 5.065 6.902 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.149 4.367 6.781 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.593 3.272 5.451 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.572 2.684 6.785 1.00 0.00 H new ATOM 897 N VAL A 60 -3.278 1.599 2.799 1.00 0.00 N ATOM 898 CA VAL A 60 -3.887 1.403 1.494 1.00 0.00 C ATOM 899 C VAL A 60 -5.393 1.233 1.609 1.00 0.00 C ATOM 900 O VAL A 60 -5.890 0.302 2.247 1.00 0.00 O ATOM 901 CB VAL A 60 -3.279 0.185 0.763 1.00 0.00 C ATOM 902 CG1 VAL A 60 -3.919 -0.007 -0.602 1.00 0.00 C ATOM 903 CG2 VAL A 60 -1.776 0.350 0.627 1.00 0.00 C ATOM 0 H VAL A 60 -3.229 0.757 3.373 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.678 2.298 0.908 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.482 -0.706 1.358 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.473 -0.871 -1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.990 -0.171 -0.482 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.754 0.883 -1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.360 -0.515 0.110 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.559 1.253 0.056 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.328 0.431 1.617 1.00 0.00 H new ATOM 913 N PHE A 61 -6.106 2.145 0.987 1.00 0.00 N ATOM 914 CA PHE A 61 -7.552 2.125 0.964 1.00 0.00 C ATOM 915 C PHE A 61 -8.035 1.822 -0.446 1.00 0.00 C ATOM 916 O PHE A 61 -7.400 2.203 -1.433 1.00 0.00 O ATOM 917 CB PHE A 61 -8.109 3.469 1.414 1.00 0.00 C ATOM 918 CG PHE A 61 -7.748 3.856 2.819 1.00 0.00 C ATOM 919 CD1 PHE A 61 -6.537 4.476 3.099 1.00 0.00 C ATOM 920 CD2 PHE A 61 -8.631 3.614 3.859 1.00 0.00 C ATOM 921 CE1 PHE A 61 -6.221 4.846 4.389 1.00 0.00 C ATOM 922 CE2 PHE A 61 -8.315 3.979 5.152 1.00 0.00 C ATOM 923 CZ PHE A 61 -7.110 4.596 5.417 1.00 0.00 C ATOM 0 H PHE A 61 -5.695 2.928 0.479 1.00 0.00 H new ATOM 0 HA PHE A 61 -7.903 1.352 1.647 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.750 4.242 0.735 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -9.195 3.446 1.325 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.837 4.670 2.300 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -9.577 3.134 3.656 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.279 5.331 4.596 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -9.010 3.782 5.955 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.861 4.884 6.428 1.00 0.00 H new ATOM 933 N TYR A 62 -9.163 1.163 -0.539 1.00 0.00 N ATOM 934 CA TYR A 62 -9.687 0.722 -1.814 1.00 0.00 C ATOM 935 C TYR A 62 -11.132 0.313 -1.651 1.00 0.00 C ATOM 936 O TYR A 62 -11.636 0.211 -0.534 1.00 0.00 O ATOM 937 CB TYR A 62 -8.859 -0.439 -2.377 1.00 0.00 C ATOM 938 CG TYR A 62 -8.436 -1.435 -1.330 1.00 0.00 C ATOM 939 CD1 TYR A 62 -9.368 -2.237 -0.693 1.00 0.00 C ATOM 940 CD2 TYR A 62 -7.103 -1.557 -0.965 1.00 0.00 C ATOM 941 CE1 TYR A 62 -8.984 -3.128 0.279 1.00 0.00 C ATOM 942 CE2 TYR A 62 -6.716 -2.453 0.005 1.00 0.00 C ATOM 943 CZ TYR A 62 -7.664 -3.235 0.621 1.00 0.00 C ATOM 944 OH TYR A 62 -7.295 -4.123 1.588 1.00 0.00 O ATOM 0 H TYR A 62 -9.744 0.916 0.262 1.00 0.00 H new ATOM 0 HA TYR A 62 -9.625 1.547 -2.523 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.441 -0.953 -3.142 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -7.971 -0.038 -2.867 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -10.411 -2.161 -0.964 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -6.359 -0.941 -1.448 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -9.723 -3.743 0.772 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -5.675 -2.541 0.280 1.00 0.00 H new ATOM 0 HH TYR A 62 -8.027 -4.229 2.231 1.00 0.00 H new ATOM 954 N ASP A 63 -11.790 0.094 -2.762 1.00 0.00 N ATOM 955 CA ASP A 63 -13.192 -0.219 -2.757 1.00 0.00 C ATOM 956 C ASP A 63 -13.379 -1.704 -2.970 1.00 0.00 C ATOM 957 O ASP A 63 -13.075 -2.241 -4.042 1.00 0.00 O ATOM 958 CB ASP A 63 -13.916 0.575 -3.832 1.00 0.00 C ATOM 959 CG ASP A 63 -15.306 0.977 -3.381 1.00 0.00 C ATOM 960 OD1 ASP A 63 -16.141 0.078 -3.143 1.00 0.00 O ATOM 961 OD2 ASP A 63 -15.561 2.190 -3.235 1.00 0.00 O ATOM 0 H ASP A 63 -11.369 0.128 -3.690 1.00 0.00 H new ATOM 0 HA ASP A 63 -13.618 0.055 -1.792 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -13.340 1.467 -4.078 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -13.985 -0.021 -4.742 1.00 0.00 H new ATOM 966 N MET A 64 -13.872 -2.358 -1.938 1.00 0.00 N ATOM 967 CA MET A 64 -14.005 -3.809 -1.916 1.00 0.00 C ATOM 968 C MET A 64 -14.886 -4.332 -3.051 1.00 0.00 C ATOM 969 O MET A 64 -14.802 -5.501 -3.407 1.00 0.00 O ATOM 970 CB MET A 64 -14.527 -4.276 -0.548 1.00 0.00 C ATOM 971 CG MET A 64 -15.619 -3.389 0.036 1.00 0.00 C ATOM 972 SD MET A 64 -17.137 -3.394 -0.934 1.00 0.00 S ATOM 973 CE MET A 64 -17.816 -1.798 -0.490 1.00 0.00 C ATOM 0 H MET A 64 -14.194 -1.900 -1.085 1.00 0.00 H new ATOM 0 HA MET A 64 -13.012 -4.230 -2.076 1.00 0.00 H new ATOM 0 HB2 MET A 64 -14.911 -5.291 -0.645 1.00 0.00 H new ATOM 0 HB3 MET A 64 -13.693 -4.317 0.153 1.00 0.00 H new ATOM 0 HG2 MET A 64 -15.843 -3.721 1.050 1.00 0.00 H new ATOM 0 HG3 MET A 64 -15.247 -2.367 0.110 1.00 0.00 H new ATOM 0 HE1 MET A 64 -18.762 -1.648 -1.010 1.00 0.00 H new ATOM 0 HE2 MET A 64 -17.984 -1.761 0.586 1.00 0.00 H new ATOM 0 HE3 MET A 64 -17.116 -1.013 -0.776 1.00 0.00 H new ATOM 983 N TYR A 65 -15.714 -3.465 -3.630 1.00 0.00 N ATOM 984 CA TYR A 65 -16.638 -3.885 -4.680 1.00 0.00 C ATOM 985 C TYR A 65 -15.884 -4.334 -5.933 1.00 0.00 C ATOM 986 O TYR A 65 -16.368 -5.178 -6.688 1.00 0.00 O ATOM 987 CB TYR A 65 -17.626 -2.756 -5.026 1.00 0.00 C ATOM 988 CG TYR A 65 -17.174 -1.832 -6.142 1.00 0.00 C ATOM 989 CD1 TYR A 65 -16.180 -0.886 -5.940 1.00 0.00 C ATOM 990 CD2 TYR A 65 -17.751 -1.911 -7.401 1.00 0.00 C ATOM 991 CE1 TYR A 65 -15.774 -0.044 -6.958 1.00 0.00 C ATOM 992 CE2 TYR A 65 -17.351 -1.074 -8.425 1.00 0.00 C ATOM 993 CZ TYR A 65 -16.363 -0.143 -8.200 1.00 0.00 C ATOM 994 OH TYR A 65 -15.964 0.691 -9.221 1.00 0.00 O ATOM 0 H TYR A 65 -15.764 -2.474 -3.392 1.00 0.00 H new ATOM 0 HA TYR A 65 -17.204 -4.736 -4.300 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -18.580 -3.201 -5.307 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -17.803 -2.161 -4.130 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -15.714 -0.806 -4.969 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -18.527 -2.640 -7.584 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -14.999 0.688 -6.781 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -17.812 -1.150 -9.399 1.00 0.00 H new ATOM 0 HH TYR A 65 -16.479 0.488 -10.029 1.00 0.00 H new ATOM 1004 N GLU A 66 -14.695 -3.782 -6.155 1.00 0.00 N ATOM 1005 CA GLU A 66 -13.945 -4.100 -7.359 1.00 0.00 C ATOM 1006 C GLU A 66 -13.039 -5.273 -7.072 1.00 0.00 C ATOM 1007 O GLU A 66 -12.910 -6.189 -7.874 1.00 0.00 O ATOM 1008 CB GLU A 66 -13.129 -2.898 -7.830 1.00 0.00 C ATOM 1009 CG GLU A 66 -12.858 -2.870 -9.336 1.00 0.00 C ATOM 1010 CD GLU A 66 -11.913 -3.958 -9.821 1.00 0.00 C ATOM 1011 OE1 GLU A 66 -10.721 -3.931 -9.450 1.00 0.00 O ATOM 1012 OE2 GLU A 66 -12.355 -4.839 -10.594 1.00 0.00 O ATOM 0 H GLU A 66 -14.238 -3.122 -5.526 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.641 -4.357 -8.158 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.655 -1.985 -7.551 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.176 -2.891 -7.301 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.806 -2.965 -9.866 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.441 -1.898 -9.601 1.00 0.00 H new ATOM 1019 N VAL A 67 -12.434 -5.248 -5.898 1.00 0.00 N ATOM 1020 CA VAL A 67 -11.543 -6.312 -5.489 1.00 0.00 C ATOM 1021 C VAL A 67 -12.319 -7.617 -5.349 1.00 0.00 C ATOM 1022 O VAL A 67 -11.782 -8.688 -5.583 1.00 0.00 O ATOM 1023 CB VAL A 67 -10.812 -5.960 -4.175 1.00 0.00 C ATOM 1024 CG1 VAL A 67 -10.307 -4.524 -4.229 1.00 0.00 C ATOM 1025 CG2 VAL A 67 -11.701 -6.169 -2.959 1.00 0.00 C ATOM 0 H VAL A 67 -12.545 -4.501 -5.213 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.782 -6.437 -6.260 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.962 -6.635 -4.074 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.793 -4.284 -3.298 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.616 -4.412 -5.065 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.150 -3.847 -4.363 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.149 -5.910 -2.056 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.583 -5.534 -3.040 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.009 -7.213 -2.909 1.00 0.00 H new ATOM 1035 N TYR A 68 -13.592 -7.498 -4.983 1.00 0.00 N ATOM 1036 CA TYR A 68 -14.517 -8.627 -4.934 1.00 0.00 C ATOM 1037 C TYR A 68 -14.743 -9.223 -6.322 1.00 0.00 C ATOM 1038 O TYR A 68 -15.056 -10.408 -6.453 1.00 0.00 O ATOM 1039 CB TYR A 68 -15.849 -8.183 -4.319 1.00 0.00 C ATOM 1040 CG TYR A 68 -16.896 -9.269 -4.255 1.00 0.00 C ATOM 1041 CD1 TYR A 68 -16.710 -10.395 -3.463 1.00 0.00 C ATOM 1042 CD2 TYR A 68 -18.075 -9.167 -4.983 1.00 0.00 C ATOM 1043 CE1 TYR A 68 -17.666 -11.389 -3.402 1.00 0.00 C ATOM 1044 CE2 TYR A 68 -19.036 -10.157 -4.926 1.00 0.00 C ATOM 1045 CZ TYR A 68 -18.826 -11.265 -4.134 1.00 0.00 C ATOM 1046 OH TYR A 68 -19.784 -12.256 -4.075 1.00 0.00 O ATOM 0 H TYR A 68 -14.014 -6.610 -4.710 1.00 0.00 H new ATOM 0 HA TYR A 68 -14.074 -9.403 -4.310 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -15.665 -7.812 -3.311 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -16.243 -7.348 -4.898 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -15.803 -10.494 -2.886 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -18.243 -8.299 -5.604 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -17.505 -12.260 -2.783 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -19.947 -10.063 -5.499 1.00 0.00 H new ATOM 0 HH TYR A 68 -20.541 -12.014 -4.649 1.00 0.00 H new ATOM 1056 N LYS A 69 -14.580 -8.403 -7.360 1.00 0.00 N ATOM 1057 CA LYS A 69 -14.657 -8.897 -8.731 1.00 0.00 C ATOM 1058 C LYS A 69 -13.466 -9.800 -8.987 1.00 0.00 C ATOM 1059 O LYS A 69 -13.515 -10.711 -9.814 1.00 0.00 O ATOM 1060 CB LYS A 69 -14.644 -7.750 -9.739 1.00 0.00 C ATOM 1061 CG LYS A 69 -15.826 -7.757 -10.700 1.00 0.00 C ATOM 1062 CD LYS A 69 -17.112 -7.305 -10.024 1.00 0.00 C ATOM 1063 CE LYS A 69 -17.086 -5.816 -9.716 1.00 0.00 C ATOM 1064 NZ LYS A 69 -18.356 -5.352 -9.097 1.00 0.00 N ATOM 0 H LYS A 69 -14.396 -7.403 -7.278 1.00 0.00 H new ATOM 0 HA LYS A 69 -15.592 -9.443 -8.853 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.635 -6.804 -9.198 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.720 -7.797 -10.315 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -15.611 -7.102 -11.544 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -15.961 -8.761 -11.102 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -17.962 -7.529 -10.669 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -17.256 -7.866 -9.101 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -16.255 -5.599 -9.044 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -16.906 -5.259 -10.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -18.693 -4.502 -9.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -19.072 -6.102 -9.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -18.192 -5.127 -8.095 1.00 0.00 H new ATOM 1078 N HIS A 70 -12.388 -9.525 -8.267 1.00 0.00 N ATOM 1079 CA HIS A 70 -11.203 -10.350 -8.331 1.00 0.00 C ATOM 1080 C HIS A 70 -11.380 -11.534 -7.387 1.00 0.00 C ATOM 1081 O HIS A 70 -11.552 -12.657 -7.843 1.00 0.00 O ATOM 1082 CB HIS A 70 -9.941 -9.563 -7.941 1.00 0.00 C ATOM 1083 CG HIS A 70 -9.670 -8.342 -8.775 1.00 0.00 C ATOM 1084 ND1 HIS A 70 -8.531 -8.177 -9.532 1.00 0.00 N ATOM 1085 CD2 HIS A 70 -10.381 -7.202 -8.924 1.00 0.00 C ATOM 1086 CE1 HIS A 70 -8.558 -6.986 -10.106 1.00 0.00 C ATOM 1087 NE2 HIS A 70 -9.672 -6.376 -9.752 1.00 0.00 N ATOM 0 H HIS A 70 -12.315 -8.731 -7.630 1.00 0.00 H new ATOM 0 HA HIS A 70 -11.074 -10.693 -9.358 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -10.028 -9.260 -6.898 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -9.081 -10.229 -8.008 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -11.337 -6.983 -8.471 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -7.796 -6.581 -10.755 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -9.958 -5.442 -10.047 1.00 0.00 H new ATOM 1096 N LEU A 71 -11.372 -11.226 -6.071 1.00 0.00 N ATOM 1097 CA LEU A 71 -11.502 -12.201 -4.973 1.00 0.00 C ATOM 1098 C LEU A 71 -11.194 -13.636 -5.420 1.00 0.00 C ATOM 1099 O LEU A 71 -12.102 -14.463 -5.529 1.00 0.00 O ATOM 1100 CB LEU A 71 -12.903 -12.127 -4.348 1.00 0.00 C ATOM 1101 CG LEU A 71 -12.986 -11.492 -2.944 1.00 0.00 C ATOM 1102 CD1 LEU A 71 -12.330 -12.380 -1.896 1.00 0.00 C ATOM 1103 CD2 LEU A 71 -12.348 -10.111 -2.922 1.00 0.00 C ATOM 0 H LEU A 71 -11.272 -10.267 -5.738 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.759 -11.932 -4.223 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.549 -11.561 -5.019 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.308 -13.137 -4.292 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.044 -11.390 -2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.405 -11.905 -0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.835 -13.346 -1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.280 -12.526 -2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.423 -9.691 -1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.298 -10.191 -3.204 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.865 -9.460 -3.627 1.00 0.00 H new ATOM 1115 N PRO A 72 -9.909 -13.937 -5.697 1.00 0.00 N ATOM 1116 CA PRO A 72 -9.488 -15.231 -6.264 1.00 0.00 C ATOM 1117 C PRO A 72 -9.995 -16.419 -5.458 1.00 0.00 C ATOM 1118 O PRO A 72 -10.230 -16.312 -4.256 1.00 0.00 O ATOM 1119 CB PRO A 72 -7.960 -15.159 -6.211 1.00 0.00 C ATOM 1120 CG PRO A 72 -7.659 -13.705 -6.251 1.00 0.00 C ATOM 1121 CD PRO A 72 -8.759 -13.048 -5.468 1.00 0.00 C ATOM 0 HA PRO A 72 -9.889 -15.384 -7.266 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.571 -15.621 -5.303 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.508 -15.682 -7.054 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.684 -13.493 -5.812 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.633 -13.337 -7.277 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.511 -12.974 -4.409 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -8.956 -12.036 -5.821 1.00 0.00 H new ATOM 1129 N GLN A 73 -10.152 -17.554 -6.128 1.00 0.00 N ATOM 1130 CA GLN A 73 -10.719 -18.745 -5.506 1.00 0.00 C ATOM 1131 C GLN A 73 -9.755 -19.329 -4.482 1.00 0.00 C ATOM 1132 O GLN A 73 -8.873 -20.122 -4.808 1.00 0.00 O ATOM 1133 CB GLN A 73 -11.077 -19.778 -6.573 1.00 0.00 C ATOM 1134 CG GLN A 73 -12.074 -19.258 -7.594 1.00 0.00 C ATOM 1135 CD GLN A 73 -13.385 -18.825 -6.963 1.00 0.00 C ATOM 1136 OE1 GLN A 73 -14.304 -19.624 -6.801 1.00 0.00 O ATOM 1137 NE2 GLN A 73 -13.488 -17.550 -6.624 1.00 0.00 N ATOM 0 H GLN A 73 -9.893 -17.675 -7.107 1.00 0.00 H new ATOM 0 HA GLN A 73 -11.632 -18.463 -4.981 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.168 -20.090 -7.088 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.490 -20.663 -6.089 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -11.636 -18.414 -8.127 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -12.270 -20.035 -8.333 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -12.702 -16.917 -6.774 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -14.353 -17.200 -6.212 1.00 0.00 H new ATOM 1146 N GLY A 74 -9.951 -18.919 -3.242 1.00 0.00 N ATOM 1147 CA GLY A 74 -9.042 -19.262 -2.170 1.00 0.00 C ATOM 1148 C GLY A 74 -8.845 -18.069 -1.268 1.00 0.00 C ATOM 1149 O GLY A 74 -8.552 -18.202 -0.079 1.00 0.00 O ATOM 0 H GLY A 74 -10.741 -18.342 -2.953 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.439 -20.101 -1.598 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.084 -19.581 -2.581 1.00 0.00 H new ATOM 1153 N ILE A 75 -9.013 -16.896 -1.860 1.00 0.00 N ATOM 1154 CA ILE A 75 -9.021 -15.642 -1.133 1.00 0.00 C ATOM 1155 C ILE A 75 -10.391 -15.442 -0.504 1.00 0.00 C ATOM 1156 O ILE A 75 -11.411 -15.511 -1.192 1.00 0.00 O ATOM 1157 CB ILE A 75 -8.727 -14.473 -2.091 1.00 0.00 C ATOM 1158 CG1 ILE A 75 -7.400 -14.703 -2.824 1.00 0.00 C ATOM 1159 CG2 ILE A 75 -8.706 -13.156 -1.341 1.00 0.00 C ATOM 1160 CD1 ILE A 75 -6.165 -14.380 -2.013 1.00 0.00 C ATOM 0 H ILE A 75 -9.148 -16.790 -2.865 1.00 0.00 H new ATOM 0 HA ILE A 75 -8.254 -15.670 -0.359 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.525 -14.426 -2.832 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.350 -15.746 -3.137 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.392 -14.097 -3.730 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.497 -12.344 -2.037 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.675 -12.990 -0.871 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.931 -13.186 -0.575 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -5.275 -14.573 -2.612 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.185 -13.330 -1.722 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -6.143 -15.004 -1.120 1.00 0.00 H new ATOM 1172 N SER A 76 -10.419 -15.216 0.793 1.00 0.00 N ATOM 1173 CA SER A 76 -11.675 -15.067 1.505 1.00 0.00 C ATOM 1174 C SER A 76 -11.863 -13.634 1.972 1.00 0.00 C ATOM 1175 O SER A 76 -12.885 -13.284 2.562 1.00 0.00 O ATOM 1176 CB SER A 76 -11.697 -16.015 2.696 1.00 0.00 C ATOM 1177 OG SER A 76 -11.648 -17.370 2.268 1.00 0.00 O ATOM 0 H SER A 76 -9.587 -15.131 1.377 1.00 0.00 H new ATOM 0 HA SER A 76 -12.494 -15.313 0.830 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.850 -15.805 3.349 1.00 0.00 H new ATOM 0 HB3 SER A 76 -12.600 -15.847 3.283 1.00 0.00 H new ATOM 0 HG SER A 76 -11.661 -17.961 3.050 1.00 0.00 H new ATOM 1183 N SER A 77 -10.874 -12.809 1.697 1.00 0.00 N ATOM 1184 CA SER A 77 -10.885 -11.441 2.163 1.00 0.00 C ATOM 1185 C SER A 77 -10.555 -10.460 1.045 1.00 0.00 C ATOM 1186 O SER A 77 -9.626 -10.675 0.267 1.00 0.00 O ATOM 1187 CB SER A 77 -9.881 -11.291 3.297 1.00 0.00 C ATOM 1188 OG SER A 77 -9.694 -9.930 3.630 1.00 0.00 O ATOM 0 H SER A 77 -10.051 -13.064 1.151 1.00 0.00 H new ATOM 0 HA SER A 77 -11.890 -11.209 2.517 1.00 0.00 H new ATOM 0 HB2 SER A 77 -10.231 -11.839 4.172 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.928 -11.732 3.005 1.00 0.00 H new ATOM 0 HG SER A 77 -9.789 -9.814 4.599 1.00 0.00 H new ATOM 1194 N PRO A 78 -11.338 -9.372 0.946 1.00 0.00 N ATOM 1195 CA PRO A 78 -11.045 -8.250 0.055 1.00 0.00 C ATOM 1196 C PRO A 78 -9.587 -7.791 0.153 1.00 0.00 C ATOM 1197 O PRO A 78 -8.883 -7.731 -0.856 1.00 0.00 O ATOM 1198 CB PRO A 78 -11.985 -7.157 0.560 1.00 0.00 C ATOM 1199 CG PRO A 78 -13.157 -7.901 1.094 1.00 0.00 C ATOM 1200 CD PRO A 78 -12.608 -9.179 1.674 1.00 0.00 C ATOM 0 HA PRO A 78 -11.187 -8.509 -0.994 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.512 -6.551 1.333 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -12.276 -6.479 -0.243 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -13.675 -7.318 1.855 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -13.880 -8.109 0.305 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -12.446 -9.095 2.749 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.290 -10.015 1.519 1.00 0.00 H new ATOM 1208 N PHE A 79 -9.133 -7.499 1.374 1.00 0.00 N ATOM 1209 CA PHE A 79 -7.761 -7.042 1.600 1.00 0.00 C ATOM 1210 C PHE A 79 -6.762 -8.096 1.134 1.00 0.00 C ATOM 1211 O PHE A 79 -5.693 -7.778 0.612 1.00 0.00 O ATOM 1212 CB PHE A 79 -7.546 -6.691 3.087 1.00 0.00 C ATOM 1213 CG PHE A 79 -6.641 -7.615 3.869 1.00 0.00 C ATOM 1214 CD1 PHE A 79 -7.110 -8.811 4.384 1.00 0.00 C ATOM 1215 CD2 PHE A 79 -5.320 -7.266 4.106 1.00 0.00 C ATOM 1216 CE1 PHE A 79 -6.283 -9.644 5.112 1.00 0.00 C ATOM 1217 CE2 PHE A 79 -4.489 -8.090 4.838 1.00 0.00 C ATOM 1218 CZ PHE A 79 -4.970 -9.282 5.341 1.00 0.00 C ATOM 0 H PHE A 79 -9.696 -7.571 2.221 1.00 0.00 H new ATOM 0 HA PHE A 79 -7.594 -6.139 1.013 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -7.137 -5.682 3.145 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -8.519 -6.669 3.578 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.137 -9.097 4.214 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -4.936 -6.336 3.712 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -6.663 -10.577 5.502 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.464 -7.802 5.017 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.321 -9.930 5.912 1.00 0.00 H new ATOM 1228 N GLU A 80 -7.147 -9.350 1.297 1.00 0.00 N ATOM 1229 CA GLU A 80 -6.300 -10.474 0.959 1.00 0.00 C ATOM 1230 C GLU A 80 -6.122 -10.596 -0.555 1.00 0.00 C ATOM 1231 O GLU A 80 -5.098 -11.083 -1.029 1.00 0.00 O ATOM 1232 CB GLU A 80 -6.903 -11.754 1.552 1.00 0.00 C ATOM 1233 CG GLU A 80 -6.114 -13.018 1.267 1.00 0.00 C ATOM 1234 CD GLU A 80 -6.765 -14.247 1.869 1.00 0.00 C ATOM 1235 OE1 GLU A 80 -8.013 -14.331 1.859 1.00 0.00 O ATOM 1236 OE2 GLU A 80 -6.033 -15.121 2.378 1.00 0.00 O ATOM 0 H GLU A 80 -8.059 -9.615 1.669 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.309 -10.316 1.384 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.990 -11.632 2.632 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.914 -11.877 1.163 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.020 -13.150 0.189 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.105 -12.912 1.665 1.00 0.00 H new ATOM 1243 N SER A 81 -7.107 -10.131 -1.321 1.00 0.00 N ATOM 1244 CA SER A 81 -7.016 -10.203 -2.772 1.00 0.00 C ATOM 1245 C SER A 81 -6.139 -9.069 -3.284 1.00 0.00 C ATOM 1246 O SER A 81 -5.433 -9.203 -4.282 1.00 0.00 O ATOM 1247 CB SER A 81 -8.407 -10.145 -3.416 1.00 0.00 C ATOM 1248 OG SER A 81 -9.033 -8.890 -3.215 1.00 0.00 O ATOM 0 H SER A 81 -7.964 -9.707 -0.965 1.00 0.00 H new ATOM 0 HA SER A 81 -6.566 -11.156 -3.048 1.00 0.00 H new ATOM 0 HB2 SER A 81 -8.320 -10.340 -4.485 1.00 0.00 H new ATOM 0 HB3 SER A 81 -9.033 -10.933 -2.998 1.00 0.00 H new ATOM 0 HG SER A 81 -8.696 -8.485 -2.388 1.00 0.00 H new ATOM 1254 N VAL A 82 -6.178 -7.961 -2.561 1.00 0.00 N ATOM 1255 CA VAL A 82 -5.372 -6.794 -2.882 1.00 0.00 C ATOM 1256 C VAL A 82 -3.915 -7.048 -2.522 1.00 0.00 C ATOM 1257 O VAL A 82 -3.006 -6.498 -3.146 1.00 0.00 O ATOM 1258 CB VAL A 82 -5.891 -5.559 -2.126 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -5.148 -4.306 -2.556 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -7.385 -5.404 -2.339 1.00 0.00 C ATOM 0 H VAL A 82 -6.768 -7.845 -1.737 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.446 -6.606 -3.953 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.707 -5.704 -1.061 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.534 -3.447 -2.007 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.085 -4.423 -2.346 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.291 -4.147 -3.625 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.740 -4.526 -1.799 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.590 -5.283 -3.403 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -7.899 -6.291 -1.969 1.00 0.00 H new ATOM 1270 N LYS A 83 -3.698 -7.895 -1.518 1.00 0.00 N ATOM 1271 CA LYS A 83 -2.355 -8.333 -1.165 1.00 0.00 C ATOM 1272 C LYS A 83 -1.675 -8.921 -2.386 1.00 0.00 C ATOM 1273 O LYS A 83 -0.517 -8.651 -2.660 1.00 0.00 O ATOM 1274 CB LYS A 83 -2.394 -9.393 -0.065 1.00 0.00 C ATOM 1275 CG LYS A 83 -2.741 -8.865 1.313 1.00 0.00 C ATOM 1276 CD LYS A 83 -2.361 -9.870 2.391 1.00 0.00 C ATOM 1277 CE LYS A 83 -3.389 -10.980 2.512 1.00 0.00 C ATOM 1278 NZ LYS A 83 -2.936 -12.070 3.415 1.00 0.00 N ATOM 0 H LYS A 83 -4.437 -8.290 -0.936 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.801 -7.467 -0.801 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.122 -10.156 -0.340 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.421 -9.883 -0.017 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -2.220 -7.924 1.488 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.809 -8.653 1.368 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.387 -10.300 2.160 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.264 -9.358 3.348 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -4.325 -10.566 2.886 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.595 -11.391 1.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.782 -12.937 2.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.047 -11.791 3.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.662 -12.245 4.139 1.00 0.00 H new ATOM 1292 N ARG A 84 -2.442 -9.688 -3.137 1.00 0.00 N ATOM 1293 CA ARG A 84 -1.930 -10.390 -4.304 1.00 0.00 C ATOM 1294 C ARG A 84 -1.517 -9.393 -5.373 1.00 0.00 C ATOM 1295 O ARG A 84 -0.569 -9.621 -6.125 1.00 0.00 O ATOM 1296 CB ARG A 84 -3.004 -11.327 -4.859 1.00 0.00 C ATOM 1297 CG ARG A 84 -3.735 -12.114 -3.783 1.00 0.00 C ATOM 1298 CD ARG A 84 -2.779 -12.988 -2.982 1.00 0.00 C ATOM 1299 NE ARG A 84 -2.134 -13.991 -3.821 1.00 0.00 N ATOM 1300 CZ ARG A 84 -0.890 -14.434 -3.641 1.00 0.00 C ATOM 1301 NH1 ARG A 84 -0.141 -13.937 -2.664 1.00 0.00 N ATOM 1302 NH2 ARG A 84 -0.393 -15.365 -4.448 1.00 0.00 N ATOM 0 H ARG A 84 -3.434 -9.843 -2.958 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.059 -10.976 -4.010 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.728 -10.742 -5.426 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.541 -12.024 -5.557 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -4.248 -11.425 -3.112 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -4.500 -12.738 -4.244 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.019 -12.362 -2.514 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.325 -13.482 -2.178 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.670 -14.379 -4.597 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.517 -13.215 -2.050 1.00 0.00 H new ATOM 0 HH12 ARG A 84 0.811 -14.277 -2.528 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -0.964 -15.741 -5.205 1.00 0.00 H new ATOM 0 HH22 ARG A 84 0.559 -15.704 -4.310 1.00 0.00 H new ATOM 1316 N ASP A 85 -2.234 -8.280 -5.420 1.00 0.00 N ATOM 1317 CA ASP A 85 -1.984 -7.243 -6.401 1.00 0.00 C ATOM 1318 C ASP A 85 -0.763 -6.410 -6.027 1.00 0.00 C ATOM 1319 O ASP A 85 0.044 -6.057 -6.881 1.00 0.00 O ATOM 1320 CB ASP A 85 -3.208 -6.337 -6.538 1.00 0.00 C ATOM 1321 CG ASP A 85 -3.004 -5.255 -7.582 1.00 0.00 C ATOM 1322 OD1 ASP A 85 -2.455 -4.189 -7.241 1.00 0.00 O ATOM 1323 OD2 ASP A 85 -3.389 -5.479 -8.752 1.00 0.00 O ATOM 0 H ASP A 85 -3.002 -8.074 -4.781 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.786 -7.729 -7.357 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.076 -6.939 -6.806 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.426 -5.875 -5.575 1.00 0.00 H new ATOM 1328 N VAL A 86 -0.623 -6.096 -4.748 1.00 0.00 N ATOM 1329 CA VAL A 86 0.478 -5.253 -4.306 1.00 0.00 C ATOM 1330 C VAL A 86 1.762 -6.061 -4.091 1.00 0.00 C ATOM 1331 O VAL A 86 2.848 -5.592 -4.423 1.00 0.00 O ATOM 1332 CB VAL A 86 0.122 -4.445 -3.032 1.00 0.00 C ATOM 1333 CG1 VAL A 86 -1.037 -3.503 -3.312 1.00 0.00 C ATOM 1334 CG2 VAL A 86 -0.206 -5.354 -1.855 1.00 0.00 C ATOM 0 H VAL A 86 -1.249 -6.408 -4.006 1.00 0.00 H new ATOM 0 HA VAL A 86 0.659 -4.539 -5.109 1.00 0.00 H new ATOM 0 HB VAL A 86 1.000 -3.860 -2.758 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.276 -2.942 -2.409 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.759 -2.810 -4.106 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.908 -4.080 -3.622 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.450 -4.747 -0.983 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.059 -5.984 -2.108 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.655 -5.983 -1.630 1.00 0.00 H new ATOM 1344 N GLU A 87 1.633 -7.281 -3.574 1.00 0.00 N ATOM 1345 CA GLU A 87 2.789 -8.138 -3.307 1.00 0.00 C ATOM 1346 C GLU A 87 3.544 -8.498 -4.573 1.00 0.00 C ATOM 1347 O GLU A 87 4.758 -8.609 -4.554 1.00 0.00 O ATOM 1348 CB GLU A 87 2.363 -9.416 -2.602 1.00 0.00 C ATOM 1349 CG GLU A 87 2.185 -9.244 -1.102 1.00 0.00 C ATOM 1350 CD GLU A 87 3.499 -8.945 -0.406 1.00 0.00 C ATOM 1351 OE1 GLU A 87 3.869 -7.755 -0.309 1.00 0.00 O ATOM 1352 OE2 GLU A 87 4.173 -9.904 0.027 1.00 0.00 O ATOM 0 H GLU A 87 0.736 -7.701 -3.330 1.00 0.00 H new ATOM 0 HA GLU A 87 3.456 -7.565 -2.663 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.426 -9.766 -3.034 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.108 -10.190 -2.786 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.481 -8.434 -0.911 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.750 -10.151 -0.682 1.00 0.00 H new ATOM 1359 N GLU A 88 2.845 -8.699 -5.673 1.00 0.00 N ATOM 1360 CA GLU A 88 3.541 -8.980 -6.929 1.00 0.00 C ATOM 1361 C GLU A 88 4.532 -7.854 -7.266 1.00 0.00 C ATOM 1362 O GLU A 88 5.546 -8.089 -7.920 1.00 0.00 O ATOM 1363 CB GLU A 88 2.564 -9.209 -8.084 1.00 0.00 C ATOM 1364 CG GLU A 88 1.693 -8.014 -8.410 1.00 0.00 C ATOM 1365 CD GLU A 88 0.939 -8.191 -9.709 1.00 0.00 C ATOM 1366 OE1 GLU A 88 1.535 -7.961 -10.780 1.00 0.00 O ATOM 1367 OE2 GLU A 88 -0.249 -8.566 -9.668 1.00 0.00 O ATOM 0 H GLU A 88 1.827 -8.676 -5.732 1.00 0.00 H new ATOM 0 HA GLU A 88 4.101 -9.905 -6.791 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.130 -9.485 -8.974 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.922 -10.055 -7.839 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.983 -7.853 -7.599 1.00 0.00 H new ATOM 0 HG3 GLU A 88 2.314 -7.120 -8.472 1.00 0.00 H new ATOM 1374 N ARG A 89 4.222 -6.633 -6.824 1.00 0.00 N ATOM 1375 CA ARG A 89 5.132 -5.495 -6.954 1.00 0.00 C ATOM 1376 C ARG A 89 6.070 -5.375 -5.749 1.00 0.00 C ATOM 1377 O ARG A 89 7.209 -4.934 -5.876 1.00 0.00 O ATOM 1378 CB ARG A 89 4.355 -4.187 -7.132 1.00 0.00 C ATOM 1379 CG ARG A 89 3.900 -3.930 -8.560 1.00 0.00 C ATOM 1380 CD ARG A 89 2.716 -4.791 -8.960 1.00 0.00 C ATOM 1381 NE ARG A 89 1.445 -4.331 -8.380 1.00 0.00 N ATOM 1382 CZ ARG A 89 0.885 -3.145 -8.614 1.00 0.00 C ATOM 1383 NH1 ARG A 89 1.538 -2.217 -9.293 1.00 0.00 N ATOM 1384 NH2 ARG A 89 -0.330 -2.875 -8.156 1.00 0.00 N ATOM 0 H ARG A 89 3.338 -6.407 -6.368 1.00 0.00 H new ATOM 0 HA ARG A 89 5.737 -5.676 -7.843 1.00 0.00 H new ATOM 0 HB2 ARG A 89 3.482 -4.203 -6.480 1.00 0.00 H new ATOM 0 HB3 ARG A 89 4.981 -3.357 -6.806 1.00 0.00 H new ATOM 0 HG2 ARG A 89 3.633 -2.879 -8.669 1.00 0.00 H new ATOM 0 HG3 ARG A 89 4.729 -4.120 -9.241 1.00 0.00 H new ATOM 0 HD2 ARG A 89 2.631 -4.799 -10.047 1.00 0.00 H new ATOM 0 HD3 ARG A 89 2.900 -5.819 -8.647 1.00 0.00 H new ATOM 0 HE ARG A 89 0.956 -4.968 -7.751 1.00 0.00 H new ATOM 0 HH11 ARG A 89 2.478 -2.407 -9.642 1.00 0.00 H new ATOM 0 HH12 ARG A 89 1.102 -1.312 -9.468 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.841 -3.577 -7.621 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.753 -1.965 -8.338 1.00 0.00 H new ATOM 1398 N LEU A 90 5.572 -5.729 -4.577 1.00 0.00 N ATOM 1399 CA LEU A 90 6.343 -5.615 -3.344 1.00 0.00 C ATOM 1400 C LEU A 90 7.226 -6.840 -3.121 1.00 0.00 C ATOM 1401 O LEU A 90 8.454 -6.765 -3.182 1.00 0.00 O ATOM 1402 CB LEU A 90 5.394 -5.431 -2.160 1.00 0.00 C ATOM 1403 CG LEU A 90 4.592 -4.130 -2.164 1.00 0.00 C ATOM 1404 CD1 LEU A 90 3.667 -4.070 -0.960 1.00 0.00 C ATOM 1405 CD2 LEU A 90 5.525 -2.928 -2.179 1.00 0.00 C ATOM 0 H LEU A 90 4.631 -6.101 -4.450 1.00 0.00 H new ATOM 0 HA LEU A 90 6.995 -4.746 -3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.697 -6.269 -2.140 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.975 -5.478 -1.239 1.00 0.00 H new ATOM 0 HG LEU A 90 3.983 -4.105 -3.068 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.104 -3.137 -0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.975 -4.912 -0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.257 -4.118 -0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.936 -2.011 -2.182 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.160 -2.949 -1.293 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.148 -2.962 -3.073 1.00 0.00 H new ATOM 1417 N ALA A 91 6.578 -7.967 -2.887 1.00 0.00 N ATOM 1418 CA ALA A 91 7.242 -9.229 -2.588 1.00 0.00 C ATOM 1419 C ALA A 91 8.208 -9.675 -3.682 1.00 0.00 C ATOM 1420 O ALA A 91 9.030 -10.552 -3.445 1.00 0.00 O ATOM 1421 CB ALA A 91 6.213 -10.313 -2.336 1.00 0.00 C ATOM 0 H ALA A 91 5.560 -8.035 -2.899 1.00 0.00 H new ATOM 0 HA ALA A 91 7.838 -9.061 -1.691 1.00 0.00 H new ATOM 0 HB1 ALA A 91 6.720 -11.252 -2.114 1.00 0.00 H new ATOM 0 HB2 ALA A 91 5.586 -10.030 -1.490 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.591 -10.438 -3.223 1.00 0.00 H new ATOM 1427 N GLU A 92 8.093 -9.127 -4.892 1.00 0.00 N ATOM 1428 CA GLU A 92 9.073 -9.437 -5.929 1.00 0.00 C ATOM 1429 C GLU A 92 10.473 -9.046 -5.470 1.00 0.00 C ATOM 1430 O GLU A 92 11.439 -9.771 -5.701 1.00 0.00 O ATOM 1431 CB GLU A 92 8.759 -8.741 -7.253 1.00 0.00 C ATOM 1432 CG GLU A 92 8.533 -7.247 -7.145 1.00 0.00 C ATOM 1433 CD GLU A 92 8.570 -6.553 -8.494 1.00 0.00 C ATOM 1434 OE1 GLU A 92 8.040 -7.114 -9.475 1.00 0.00 O ATOM 1435 OE2 GLU A 92 9.144 -5.448 -8.582 1.00 0.00 O ATOM 0 H GLU A 92 7.352 -8.484 -5.172 1.00 0.00 H new ATOM 0 HA GLU A 92 9.024 -10.513 -6.098 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.581 -8.921 -7.946 1.00 0.00 H new ATOM 0 HB3 GLU A 92 7.870 -9.199 -7.687 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.569 -7.062 -6.672 1.00 0.00 H new ATOM 0 HG3 GLU A 92 9.295 -6.814 -6.497 1.00 0.00 H new ATOM 1442 N ILE A 93 10.574 -7.903 -4.807 1.00 0.00 N ATOM 1443 CA ILE A 93 11.855 -7.424 -4.312 1.00 0.00 C ATOM 1444 C ILE A 93 12.048 -7.835 -2.852 1.00 0.00 C ATOM 1445 O ILE A 93 13.173 -7.970 -2.374 1.00 0.00 O ATOM 1446 CB ILE A 93 12.020 -5.880 -4.484 1.00 0.00 C ATOM 1447 CG1 ILE A 93 12.039 -5.143 -3.133 1.00 0.00 C ATOM 1448 CG2 ILE A 93 10.926 -5.312 -5.386 1.00 0.00 C ATOM 1449 CD1 ILE A 93 10.675 -4.801 -2.567 1.00 0.00 C ATOM 0 H ILE A 93 9.785 -7.291 -4.600 1.00 0.00 H new ATOM 0 HA ILE A 93 12.632 -7.891 -4.916 1.00 0.00 H new ATOM 0 HB ILE A 93 12.987 -5.716 -4.959 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.572 -5.759 -2.408 1.00 0.00 H new ATOM 0 HG13 ILE A 93 12.609 -4.221 -3.248 1.00 0.00 H new ATOM 0 HG21 ILE A 93 11.063 -4.236 -5.490 1.00 0.00 H new ATOM 0 HG22 ILE A 93 10.984 -5.782 -6.368 1.00 0.00 H new ATOM 0 HG23 ILE A 93 9.950 -5.513 -4.945 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.795 -4.284 -1.615 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.143 -4.155 -3.266 1.00 0.00 H new ATOM 0 HD13 ILE A 93 10.105 -5.717 -2.413 1.00 0.00 H new ATOM 1461 N ALA A 94 10.938 -8.047 -2.152 1.00 0.00 N ATOM 1462 CA ALA A 94 10.972 -8.489 -0.760 1.00 0.00 C ATOM 1463 C ALA A 94 10.710 -9.982 -0.673 1.00 0.00 C ATOM 1464 O ALA A 94 10.082 -10.481 0.265 1.00 0.00 O ATOM 1465 CB ALA A 94 9.953 -7.728 0.054 1.00 0.00 C ATOM 0 H ALA A 94 9.998 -7.919 -2.528 1.00 0.00 H new ATOM 0 HA ALA A 94 11.963 -8.288 -0.354 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.988 -8.067 1.089 1.00 0.00 H new ATOM 0 HB2 ALA A 94 10.177 -6.662 0.013 1.00 0.00 H new ATOM 0 HB3 ALA A 94 8.957 -7.905 -0.352 1.00 0.00 H new ATOM 1471 N GLU A 95 11.207 -10.677 -1.676 1.00 0.00 N ATOM 1472 CA GLU A 95 11.051 -12.124 -1.814 1.00 0.00 C ATOM 1473 C GLU A 95 11.562 -12.857 -0.579 1.00 0.00 C ATOM 1474 O GLU A 95 11.140 -13.977 -0.286 1.00 0.00 O ATOM 1475 CB GLU A 95 11.832 -12.598 -3.036 1.00 0.00 C ATOM 1476 CG GLU A 95 13.326 -12.364 -2.896 1.00 0.00 C ATOM 1477 CD GLU A 95 14.109 -12.797 -4.117 1.00 0.00 C ATOM 1478 OE1 GLU A 95 14.510 -13.981 -4.180 1.00 0.00 O ATOM 1479 OE2 GLU A 95 14.329 -11.965 -5.017 1.00 0.00 O ATOM 0 H GLU A 95 11.741 -10.252 -2.434 1.00 0.00 H new ATOM 0 HA GLU A 95 9.990 -12.345 -1.929 1.00 0.00 H new ATOM 0 HB2 GLU A 95 11.647 -13.661 -3.192 1.00 0.00 H new ATOM 0 HB3 GLU A 95 11.467 -12.077 -3.921 1.00 0.00 H new ATOM 0 HG2 GLU A 95 13.507 -11.305 -2.712 1.00 0.00 H new ATOM 0 HG3 GLU A 95 13.693 -12.906 -2.025 1.00 0.00 H new ATOM 1486 N ASP A 96 12.490 -12.211 0.114 1.00 0.00 N ATOM 1487 CA ASP A 96 13.133 -12.762 1.306 1.00 0.00 C ATOM 1488 C ASP A 96 12.144 -13.330 2.318 1.00 0.00 C ATOM 1489 O ASP A 96 12.468 -14.276 3.037 1.00 0.00 O ATOM 1490 CB ASP A 96 13.985 -11.688 1.978 1.00 0.00 C ATOM 1491 CG ASP A 96 15.048 -11.133 1.055 1.00 0.00 C ATOM 1492 OD1 ASP A 96 14.693 -10.377 0.128 1.00 0.00 O ATOM 1493 OD2 ASP A 96 16.239 -11.434 1.266 1.00 0.00 O ATOM 0 H ASP A 96 12.823 -11.280 -0.136 1.00 0.00 H new ATOM 0 HA ASP A 96 13.754 -13.591 0.968 1.00 0.00 H new ATOM 0 HB2 ASP A 96 13.341 -10.876 2.316 1.00 0.00 H new ATOM 0 HB3 ASP A 96 14.461 -12.107 2.865 1.00 0.00 H new ATOM 1498 N TYR A 97 10.943 -12.771 2.381 1.00 0.00 N ATOM 1499 CA TYR A 97 9.961 -13.236 3.354 1.00 0.00 C ATOM 1500 C TYR A 97 9.392 -14.576 2.916 1.00 0.00 C ATOM 1501 O TYR A 97 9.578 -15.590 3.593 1.00 0.00 O ATOM 1502 CB TYR A 97 8.816 -12.229 3.507 1.00 0.00 C ATOM 1503 CG TYR A 97 9.263 -10.816 3.797 1.00 0.00 C ATOM 1504 CD1 TYR A 97 10.565 -10.539 4.187 1.00 0.00 C ATOM 1505 CD2 TYR A 97 8.376 -9.757 3.669 1.00 0.00 C ATOM 1506 CE1 TYR A 97 10.973 -9.250 4.440 1.00 0.00 C ATOM 1507 CE2 TYR A 97 8.775 -8.464 3.923 1.00 0.00 C ATOM 1508 CZ TYR A 97 10.071 -8.214 4.307 1.00 0.00 C ATOM 1509 OH TYR A 97 10.466 -6.926 4.558 1.00 0.00 O ATOM 0 H TYR A 97 10.628 -12.008 1.782 1.00 0.00 H new ATOM 0 HA TYR A 97 10.464 -13.342 4.315 1.00 0.00 H new ATOM 0 HB2 TYR A 97 8.223 -12.229 2.592 1.00 0.00 H new ATOM 0 HB3 TYR A 97 8.160 -12.562 4.312 1.00 0.00 H new ATOM 0 HD1 TYR A 97 11.271 -11.350 4.294 1.00 0.00 H new ATOM 0 HD2 TYR A 97 7.358 -9.950 3.366 1.00 0.00 H new ATOM 0 HE1 TYR A 97 11.991 -9.050 4.740 1.00 0.00 H new ATOM 0 HE2 TYR A 97 8.073 -7.650 3.821 1.00 0.00 H new ATOM 0 HH TYR A 97 11.362 -6.780 4.188 1.00 0.00 H new ATOM 1519 N GLU A 98 8.738 -14.559 1.758 1.00 0.00 N ATOM 1520 CA GLU A 98 8.123 -15.744 1.162 1.00 0.00 C ATOM 1521 C GLU A 98 7.164 -15.339 0.052 1.00 0.00 C ATOM 1522 O GLU A 98 6.546 -16.197 -0.580 1.00 0.00 O ATOM 1523 CB GLU A 98 7.316 -16.535 2.193 1.00 0.00 C ATOM 1524 CG GLU A 98 6.138 -15.748 2.744 1.00 0.00 C ATOM 1525 CD GLU A 98 5.242 -16.577 3.631 1.00 0.00 C ATOM 1526 OE1 GLU A 98 4.371 -17.289 3.092 1.00 0.00 O ATOM 1527 OE2 GLU A 98 5.397 -16.518 4.868 1.00 0.00 O ATOM 0 H GLU A 98 8.618 -13.714 1.200 1.00 0.00 H new ATOM 0 HA GLU A 98 8.934 -16.360 0.774 1.00 0.00 H new ATOM 0 HB2 GLU A 98 6.951 -17.455 1.735 1.00 0.00 H new ATOM 0 HB3 GLU A 98 7.970 -16.826 3.015 1.00 0.00 H new ATOM 0 HG2 GLU A 98 6.511 -14.894 3.309 1.00 0.00 H new ATOM 0 HG3 GLU A 98 5.553 -15.351 1.915 1.00 0.00 H new ATOM 1534 N VAL A 99 7.057 -14.024 -0.179 1.00 0.00 N ATOM 1535 CA VAL A 99 5.959 -13.456 -0.966 1.00 0.00 C ATOM 1536 C VAL A 99 4.647 -13.674 -0.215 1.00 0.00 C ATOM 1537 O VAL A 99 4.094 -14.773 -0.222 1.00 0.00 O ATOM 1538 CB VAL A 99 5.863 -14.074 -2.382 1.00 0.00 C ATOM 1539 CG1 VAL A 99 4.745 -13.427 -3.187 1.00 0.00 C ATOM 1540 CG2 VAL A 99 7.192 -13.946 -3.111 1.00 0.00 C ATOM 0 H VAL A 99 7.721 -13.333 0.170 1.00 0.00 H new ATOM 0 HA VAL A 99 6.156 -12.392 -1.096 1.00 0.00 H new ATOM 0 HB VAL A 99 5.629 -15.133 -2.273 1.00 0.00 H new ATOM 0 HG11 VAL A 99 4.700 -13.880 -4.177 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.794 -13.578 -2.676 1.00 0.00 H new ATOM 0 HG13 VAL A 99 4.939 -12.359 -3.285 1.00 0.00 H new ATOM 0 HG21 VAL A 99 7.106 -14.386 -4.105 1.00 0.00 H new ATOM 0 HG22 VAL A 99 7.457 -12.893 -3.202 1.00 0.00 H new ATOM 0 HG23 VAL A 99 7.967 -14.468 -2.549 1.00 0.00 H new ATOM 1550 N ASN A 100 4.154 -12.635 0.450 1.00 0.00 N ATOM 1551 CA ASN A 100 3.023 -12.796 1.355 1.00 0.00 C ATOM 1552 C ASN A 100 1.740 -13.075 0.583 1.00 0.00 C ATOM 1553 O ASN A 100 1.435 -12.422 -0.413 1.00 0.00 O ATOM 1554 CB ASN A 100 2.843 -11.558 2.238 1.00 0.00 C ATOM 1555 CG ASN A 100 1.933 -11.809 3.427 1.00 0.00 C ATOM 1556 OD1 ASN A 100 0.654 -11.505 3.272 1.00 0.00 O flip ATOM 1557 ND2 ASN A 100 2.380 -12.259 4.483 1.00 0.00 N flip ATOM 0 H ASN A 100 4.515 -11.683 0.381 1.00 0.00 H new ATOM 0 HA ASN A 100 3.237 -13.651 1.996 1.00 0.00 H new ATOM 0 HB2 ASN A 100 3.818 -11.228 2.596 1.00 0.00 H new ATOM 0 HB3 ASN A 100 2.433 -10.746 1.638 1.00 0.00 H new ATOM 0 HD21 ASN A 100 3.372 -12.481 4.563 1.00 0.00 H new ATOM 0 HD22 ASN A 100 1.758 -12.410 5.277 1.00 0.00 H new ATOM 1564 N ARG A 101 1.003 -14.065 1.043 1.00 0.00 N ATOM 1565 CA ARG A 101 -0.251 -14.433 0.424 1.00 0.00 C ATOM 1566 C ARG A 101 -1.400 -13.785 1.176 1.00 0.00 C ATOM 1567 O ARG A 101 -1.562 -14.084 2.378 1.00 0.00 O ATOM 1568 CB ARG A 101 -0.413 -15.955 0.391 1.00 0.00 C ATOM 1569 CG ARG A 101 -1.566 -16.423 -0.483 1.00 0.00 C ATOM 1570 CD ARG A 101 -1.590 -17.936 -0.613 1.00 0.00 C ATOM 1571 NE ARG A 101 -2.544 -18.383 -1.629 1.00 0.00 N ATOM 1572 CZ ARG A 101 -2.266 -19.291 -2.566 1.00 0.00 C ATOM 1573 NH1 ARG A 101 -1.073 -19.867 -2.605 1.00 0.00 N ATOM 1574 NH2 ARG A 101 -3.183 -19.626 -3.465 1.00 0.00 N ATOM 1575 OXT ARG A 101 -2.119 -12.967 0.577 1.00 0.00 O ATOM 0 H ARG A 101 1.255 -14.633 1.852 1.00 0.00 H new ATOM 0 HA ARG A 101 -0.256 -14.076 -0.606 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.512 -16.403 0.029 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -0.567 -16.318 1.407 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -2.509 -16.079 -0.058 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -1.479 -15.973 -1.472 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -0.593 -18.294 -0.869 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -1.850 -18.379 0.349 1.00 0.00 H new ATOM 0 HE ARG A 101 -3.479 -17.975 -1.620 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -0.363 -19.617 -1.917 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -0.865 -20.561 -3.323 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -4.104 -19.189 -3.441 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -2.967 -20.321 -4.180 1.00 0.00 H new TER 1589 ARG A 101