USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 701 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= -1.57 (180deg=-1.74) USER MOD Single : A 2 SER OG : rot -1:sc= 0.296 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -1.01 K(o=-1,f=-3.7!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot -66:sc= 0.186 USER MOD Single : A 9 MET CE :methyl -171:sc= -14.6! (180deg=-15!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -3.63! C(o=-3.6!,f=-11!) USER MOD Single : A 21 LYS NZ :NH3+ -156:sc= -0.112 (180deg=-0.585) USER MOD Single : A 25 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.353) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS :FLIP no HD1:sc= -3.03! C(o=-3.7!,f=-3!) USER MOD Single : A 46 ASN : amide:sc= -5.92! C(o=-5.9!,f=-6!) USER MOD Single : A 54 ASN : amide:sc= 1.23 K(o=1.2,f=-0.31) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 156:sc= -0.0478 (180deg=-0.38) USER MOD Single : A 65 CYS SG : rot -11:sc= 0.319 USER MOD Single : A 68 ASN : amide:sc= -16.5! C(o=-16!,f=-18!) USER MOD Single : A 71 HIS : no HD1:sc= -0.0478 X(o=-0.048,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0.0161 USER MOD Single : A 85 MET CE :methyl -166:sc= -19.9! (180deg=-21.8!) USER MOD Single : A 88 LYS NZ :NH3+ -167:sc= -0.0234 (180deg=-0.26) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -112:sc= -0.792 (180deg=-4.87!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.1 K(o=-0.1,f=-1.8!) USER MOD Single : A 105 ASN : amide:sc= -3.07! C(o=-3.1!,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.103 16.961 -1.677 1.00 0.00 N ATOM 2 CA MET A 1 3.609 18.291 -1.389 1.00 0.00 C ATOM 3 C MET A 1 2.472 19.236 -0.993 1.00 0.00 C ATOM 4 O MET A 1 2.663 20.450 -0.925 1.00 0.00 O ATOM 5 CB MET A 1 4.324 18.845 -2.624 1.00 0.00 C ATOM 6 CG MET A 1 5.719 19.362 -2.263 1.00 0.00 C ATOM 7 SD MET A 1 6.876 18.004 -2.206 1.00 0.00 S ATOM 8 CE MET A 1 7.780 18.431 -0.727 1.00 0.00 C ATOM 0 H1 MET A 1 3.901 16.315 -1.843 1.00 0.00 H new ATOM 0 H2 MET A 1 2.544 16.620 -0.869 1.00 0.00 H new ATOM 0 H3 MET A 1 2.502 16.994 -2.525 1.00 0.00 H new ATOM 0 HA MET A 1 4.307 18.220 -0.555 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.406 18.066 -3.382 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.734 19.652 -3.059 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.045 20.098 -2.998 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.690 19.867 -1.298 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.549 17.681 -0.542 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.248 19.407 -0.856 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.095 18.466 0.121 1.00 0.00 H new ATOM 16 N SER A 2 1.314 18.643 -0.739 1.00 0.00 N ATOM 17 CA SER A 2 0.147 19.417 -0.351 1.00 0.00 C ATOM 18 C SER A 2 0.089 20.718 -1.154 1.00 0.00 C ATOM 19 O SER A 2 -0.330 21.752 -0.636 1.00 0.00 O ATOM 20 CB SER A 2 0.162 19.719 1.150 1.00 0.00 C ATOM 21 OG SER A 2 1.239 20.578 1.512 1.00 0.00 O ATOM 0 H SER A 2 1.159 17.636 -0.794 1.00 0.00 H new ATOM 0 HA SER A 2 -0.743 18.826 -0.567 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.782 20.182 1.436 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.241 18.785 1.707 1.00 0.00 H new ATOM 0 HG SER A 2 1.774 20.784 0.717 1.00 0.00 H new ATOM 26 N LYS A 3 0.517 20.624 -2.404 1.00 0.00 N ATOM 27 CA LYS A 3 0.520 21.779 -3.283 1.00 0.00 C ATOM 28 C LYS A 3 0.890 21.336 -4.700 1.00 0.00 C ATOM 29 O LYS A 3 1.449 20.258 -4.892 1.00 0.00 O ATOM 30 CB LYS A 3 1.431 22.876 -2.726 1.00 0.00 C ATOM 31 CG LYS A 3 0.828 24.261 -2.962 1.00 0.00 C ATOM 32 CD LYS A 3 1.897 25.350 -2.853 1.00 0.00 C ATOM 33 CE LYS A 3 1.958 25.921 -1.434 1.00 0.00 C ATOM 34 NZ LYS A 3 3.223 26.658 -1.225 1.00 0.00 N ATOM 0 H LYS A 3 0.864 19.764 -2.829 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.476 22.219 -3.335 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.584 22.719 -1.658 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.410 22.816 -3.201 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.366 24.297 -3.949 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.039 24.447 -2.234 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.869 24.939 -3.125 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.680 26.150 -3.561 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.111 26.586 -1.267 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.877 25.113 -0.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.247 27.038 -0.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.027 26.014 -1.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.285 27.441 -1.906 1.00 0.00 H new ATOM 44 N SER A 4 0.560 22.191 -5.658 1.00 0.00 N ATOM 45 CA SER A 4 0.851 21.902 -7.052 1.00 0.00 C ATOM 46 C SER A 4 -0.149 20.877 -7.593 1.00 0.00 C ATOM 47 O SER A 4 -0.822 21.131 -8.591 1.00 0.00 O ATOM 48 CB SER A 4 2.281 21.386 -7.220 1.00 0.00 C ATOM 49 OG SER A 4 3.046 22.212 -8.096 1.00 0.00 O ATOM 0 H SER A 4 0.094 23.084 -5.496 1.00 0.00 H new ATOM 0 HA SER A 4 0.758 22.828 -7.620 1.00 0.00 H new ATOM 0 HB2 SER A 4 2.768 21.342 -6.246 1.00 0.00 H new ATOM 0 HB3 SER A 4 2.256 20.369 -7.610 1.00 0.00 H new ATOM 0 HG SER A 4 3.954 21.851 -8.176 1.00 0.00 H new ATOM 54 N ASN A 5 -0.213 19.744 -6.911 1.00 0.00 N ATOM 55 CA ASN A 5 -1.118 18.680 -7.312 1.00 0.00 C ATOM 56 C ASN A 5 -0.871 17.449 -6.438 1.00 0.00 C ATOM 57 O ASN A 5 0.245 16.932 -6.390 1.00 0.00 O ATOM 58 CB ASN A 5 -0.887 18.280 -8.771 1.00 0.00 C ATOM 59 CG ASN A 5 -2.020 18.786 -9.666 1.00 0.00 C ATOM 60 OD1 ASN A 5 -2.952 19.437 -9.221 1.00 0.00 O ATOM 61 ND2 ASN A 5 -1.887 18.454 -10.946 1.00 0.00 N ATOM 0 H ASN A 5 0.347 19.539 -6.083 1.00 0.00 H new ATOM 0 HA ASN A 5 -2.139 19.044 -7.196 1.00 0.00 H new ATOM 0 HB2 ASN A 5 0.063 18.687 -9.117 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -0.816 17.195 -8.847 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -2.590 18.746 -11.624 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -1.081 17.907 -11.250 1.00 0.00 H new ATOM 67 N THR A 6 -1.929 17.015 -5.770 1.00 0.00 N ATOM 68 CA THR A 6 -1.841 15.855 -4.900 1.00 0.00 C ATOM 69 C THR A 6 -2.772 14.745 -5.394 1.00 0.00 C ATOM 70 O THR A 6 -3.721 15.009 -6.131 1.00 0.00 O ATOM 71 CB THR A 6 -2.141 16.310 -3.471 1.00 0.00 C ATOM 72 OG1 THR A 6 -2.262 17.725 -3.576 1.00 0.00 O ATOM 73 CG2 THR A 6 -0.953 16.107 -2.529 1.00 0.00 C ATOM 0 H THR A 6 -2.852 17.446 -5.814 1.00 0.00 H new ATOM 0 HA THR A 6 -0.839 15.426 -4.915 1.00 0.00 H new ATOM 0 HB THR A 6 -3.003 15.763 -3.090 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.459 18.103 -2.693 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.220 16.446 -1.528 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.692 15.049 -2.496 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.100 16.680 -2.891 1.00 0.00 H new ATOM 81 N TYR A 7 -2.470 13.528 -4.967 1.00 0.00 N ATOM 82 CA TYR A 7 -3.268 12.379 -5.357 1.00 0.00 C ATOM 83 C TYR A 7 -3.600 11.506 -4.144 1.00 0.00 C ATOM 84 O TYR A 7 -3.395 11.917 -3.003 1.00 0.00 O ATOM 85 CB TYR A 7 -2.403 11.573 -6.327 1.00 0.00 C ATOM 86 CG TYR A 7 -2.208 12.242 -7.689 1.00 0.00 C ATOM 87 CD1 TYR A 7 -3.239 12.258 -8.605 1.00 0.00 C ATOM 88 CD2 TYR A 7 -0.999 12.831 -8.002 1.00 0.00 C ATOM 89 CE1 TYR A 7 -3.056 12.888 -9.886 1.00 0.00 C ATOM 90 CE2 TYR A 7 -0.815 13.462 -9.284 1.00 0.00 C ATOM 91 CZ TYR A 7 -1.852 13.459 -10.163 1.00 0.00 C ATOM 92 OH TYR A 7 -1.679 14.054 -11.373 1.00 0.00 O ATOM 0 H TYR A 7 -1.683 13.313 -4.355 1.00 0.00 H new ATOM 0 HA TYR A 7 -4.209 12.700 -5.804 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.426 11.405 -5.873 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -2.858 10.594 -6.476 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -4.185 11.797 -8.361 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -0.191 12.819 -7.285 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -3.856 12.907 -10.611 1.00 0.00 H new ATOM 0 HE2 TYR A 7 0.125 13.927 -9.541 1.00 0.00 H new ATOM 0 HH TYR A 7 -1.709 13.375 -12.079 1.00 0.00 H new ATOM 101 N ARG A 8 -4.110 10.317 -4.433 1.00 0.00 N ATOM 102 CA ARG A 8 -4.474 9.383 -3.381 1.00 0.00 C ATOM 103 C ARG A 8 -3.955 7.983 -3.712 1.00 0.00 C ATOM 104 O ARG A 8 -3.781 7.641 -4.881 1.00 0.00 O ATOM 105 CB ARG A 8 -5.991 9.328 -3.194 1.00 0.00 C ATOM 106 CG ARG A 8 -6.668 8.679 -4.403 1.00 0.00 C ATOM 107 CD ARG A 8 -8.073 8.189 -4.048 1.00 0.00 C ATOM 108 NE ARG A 8 -9.028 8.573 -5.109 1.00 0.00 N ATOM 109 CZ ARG A 8 -9.633 9.767 -5.179 1.00 0.00 C ATOM 110 NH1 ARG A 8 -9.387 10.700 -4.248 1.00 0.00 N ATOM 111 NH2 ARG A 8 -10.485 10.029 -6.180 1.00 0.00 N ATOM 0 H ARG A 8 -4.280 9.979 -5.380 1.00 0.00 H new ATOM 0 HA ARG A 8 -4.019 9.733 -2.454 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.230 8.764 -2.292 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -6.381 10.336 -3.052 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.725 9.397 -5.221 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.065 7.842 -4.756 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.069 7.106 -3.926 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -8.385 8.616 -3.095 1.00 0.00 H new ATOM 0 HE ARG A 8 -9.240 7.886 -5.833 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.739 10.501 -3.486 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.848 11.608 -4.302 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -10.673 9.320 -6.889 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -10.945 10.938 -6.233 1.00 0.00 H new ATOM 122 N MET A 9 -3.721 7.209 -2.662 1.00 0.00 N ATOM 123 CA MET A 9 -3.228 5.853 -2.826 1.00 0.00 C ATOM 124 C MET A 9 -4.186 4.840 -2.197 1.00 0.00 C ATOM 125 O MET A 9 -4.650 5.033 -1.075 1.00 0.00 O ATOM 126 CB MET A 9 -1.850 5.729 -2.171 1.00 0.00 C ATOM 127 CG MET A 9 -1.559 4.279 -1.779 1.00 0.00 C ATOM 128 SD MET A 9 0.199 3.974 -1.831 1.00 0.00 S ATOM 129 CE MET A 9 0.288 2.913 -3.262 1.00 0.00 C ATOM 0 H MET A 9 -3.864 7.496 -1.694 1.00 0.00 H new ATOM 0 HA MET A 9 -3.154 5.640 -3.892 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.083 6.085 -2.859 1.00 0.00 H new ATOM 0 HB3 MET A 9 -1.805 6.365 -1.287 1.00 0.00 H new ATOM 0 HG2 MET A 9 -1.941 4.080 -0.778 1.00 0.00 H new ATOM 0 HG3 MET A 9 -2.075 3.600 -2.458 1.00 0.00 H new ATOM 0 HE1 MET A 9 1.293 2.498 -3.346 1.00 0.00 H new ATOM 0 HE2 MET A 9 -0.432 2.101 -3.158 1.00 0.00 H new ATOM 0 HE3 MET A 9 0.058 3.490 -4.158 1.00 0.00 H new ATOM 137 N LEU A 10 -4.451 3.780 -2.948 1.00 0.00 N ATOM 138 CA LEU A 10 -5.346 2.736 -2.478 1.00 0.00 C ATOM 139 C LEU A 10 -4.552 1.447 -2.268 1.00 0.00 C ATOM 140 O LEU A 10 -3.738 1.070 -3.111 1.00 0.00 O ATOM 141 CB LEU A 10 -6.533 2.580 -3.430 1.00 0.00 C ATOM 142 CG LEU A 10 -6.202 2.594 -4.924 1.00 0.00 C ATOM 143 CD1 LEU A 10 -6.893 1.438 -5.649 1.00 0.00 C ATOM 144 CD2 LEU A 10 -6.544 3.948 -5.549 1.00 0.00 C ATOM 0 H LEU A 10 -4.062 3.622 -3.878 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.775 3.007 -1.513 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.038 1.642 -3.199 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.243 3.382 -3.228 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.128 2.449 -5.037 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.641 1.471 -6.709 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.558 0.491 -5.226 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.973 1.527 -5.530 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.299 3.931 -6.611 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.608 4.147 -5.425 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.968 4.732 -5.057 1.00 0.00 H new ATOM 155 N VAL A 11 -4.816 0.802 -1.140 1.00 0.00 N ATOM 156 CA VAL A 11 -4.137 -0.438 -0.811 1.00 0.00 C ATOM 157 C VAL A 11 -5.117 -1.605 -0.950 1.00 0.00 C ATOM 158 O VAL A 11 -6.249 -1.528 -0.472 1.00 0.00 O ATOM 159 CB VAL A 11 -3.517 -0.341 0.585 1.00 0.00 C ATOM 160 CG1 VAL A 11 -3.402 -1.723 1.233 1.00 0.00 C ATOM 161 CG2 VAL A 11 -2.156 0.356 0.534 1.00 0.00 C ATOM 0 H VAL A 11 -5.491 1.116 -0.443 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.316 -0.619 -1.505 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.180 0.264 1.204 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.958 -1.625 2.224 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.394 -2.167 1.322 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.772 -2.363 0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.738 0.412 1.539 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.481 -0.209 -0.109 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.278 1.363 0.135 1.00 0.00 H new ATOM 171 N LEU A 12 -4.648 -2.656 -1.606 1.00 0.00 N ATOM 172 CA LEU A 12 -5.469 -3.836 -1.814 1.00 0.00 C ATOM 173 C LEU A 12 -4.762 -5.056 -1.219 1.00 0.00 C ATOM 174 O LEU A 12 -3.559 -5.232 -1.407 1.00 0.00 O ATOM 175 CB LEU A 12 -5.821 -3.990 -3.295 1.00 0.00 C ATOM 176 CG LEU A 12 -4.660 -3.825 -4.280 1.00 0.00 C ATOM 177 CD1 LEU A 12 -4.900 -4.643 -5.550 1.00 0.00 C ATOM 178 CD2 LEU A 12 -4.409 -2.347 -4.587 1.00 0.00 C ATOM 0 H LEU A 12 -3.709 -2.715 -2.001 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.421 -3.734 -1.293 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.260 -4.977 -3.443 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.590 -3.258 -3.544 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.755 -4.214 -3.813 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.061 -4.509 -6.233 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.992 -5.698 -5.291 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.818 -4.306 -6.032 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.580 -2.257 -5.289 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.305 -1.909 -5.026 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.163 -1.821 -3.665 1.00 0.00 H new ATOM 189 N LEU A 13 -5.539 -5.866 -0.515 1.00 0.00 N ATOM 190 CA LEU A 13 -5.003 -7.064 0.106 1.00 0.00 C ATOM 191 C LEU A 13 -5.938 -8.242 -0.175 1.00 0.00 C ATOM 192 O LEU A 13 -7.158 -8.088 -0.156 1.00 0.00 O ATOM 193 CB LEU A 13 -4.745 -6.827 1.595 1.00 0.00 C ATOM 194 CG LEU A 13 -4.611 -8.080 2.462 1.00 0.00 C ATOM 195 CD1 LEU A 13 -3.148 -8.337 2.831 1.00 0.00 C ATOM 196 CD2 LEU A 13 -5.508 -7.993 3.697 1.00 0.00 C ATOM 0 H LEU A 13 -6.536 -5.716 -0.361 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.034 -7.315 -0.326 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.832 -6.241 1.696 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.559 -6.220 1.992 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.951 -8.936 1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.080 -9.233 3.448 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.563 -8.477 1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.758 -7.484 3.387 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.393 -8.897 4.295 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.224 -7.125 4.292 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.548 -7.895 3.385 1.00 0.00 H new ATOM 207 N GLU A 14 -5.330 -9.391 -0.432 1.00 0.00 N ATOM 208 CA GLU A 14 -6.093 -10.594 -0.718 1.00 0.00 C ATOM 209 C GLU A 14 -6.453 -11.316 0.582 1.00 0.00 C ATOM 210 O GLU A 14 -5.568 -11.761 1.313 1.00 0.00 O ATOM 211 CB GLU A 14 -5.325 -11.518 -1.665 1.00 0.00 C ATOM 212 CG GLU A 14 -6.121 -12.794 -1.951 1.00 0.00 C ATOM 213 CD GLU A 14 -5.847 -13.860 -0.888 1.00 0.00 C ATOM 214 OE1 GLU A 14 -4.678 -14.292 -0.805 1.00 0.00 O ATOM 215 OE2 GLU A 14 -6.814 -14.219 -0.182 1.00 0.00 O ATOM 0 H GLU A 14 -4.318 -9.514 -0.448 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.018 -10.304 -1.217 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.119 -10.997 -2.600 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.362 -11.777 -1.225 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.186 -12.565 -1.975 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.855 -13.180 -2.935 1.00 0.00 H new ATOM 220 N ASP A 15 -7.750 -11.411 0.830 1.00 0.00 N ATOM 221 CA ASP A 15 -8.237 -12.072 2.029 1.00 0.00 C ATOM 222 C ASP A 15 -8.827 -13.432 1.652 1.00 0.00 C ATOM 223 O ASP A 15 -9.635 -13.529 0.730 1.00 0.00 O ATOM 224 CB ASP A 15 -9.337 -11.249 2.704 1.00 0.00 C ATOM 225 CG ASP A 15 -9.074 -9.743 2.762 1.00 0.00 C ATOM 226 OD1 ASP A 15 -8.927 -9.149 1.671 1.00 0.00 O ATOM 227 OD2 ASP A 15 -9.025 -9.219 3.895 1.00 0.00 O ATOM 0 H ASP A 15 -8.480 -11.041 0.221 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.399 -12.185 2.716 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.274 -11.419 2.174 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.474 -11.618 3.720 1.00 0.00 H new ATOM 231 N ASP A 16 -8.402 -14.449 2.387 1.00 0.00 N ATOM 232 CA ASP A 16 -8.878 -15.799 2.143 1.00 0.00 C ATOM 233 C ASP A 16 -9.662 -16.288 3.362 1.00 0.00 C ATOM 234 O ASP A 16 -9.104 -16.424 4.450 1.00 0.00 O ATOM 235 CB ASP A 16 -7.710 -16.762 1.913 1.00 0.00 C ATOM 236 CG ASP A 16 -8.113 -18.197 1.565 1.00 0.00 C ATOM 237 OD1 ASP A 16 -9.337 -18.448 1.524 1.00 0.00 O ATOM 238 OD2 ASP A 16 -7.191 -19.009 1.346 1.00 0.00 O ATOM 0 H ASP A 16 -7.733 -14.365 3.152 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.509 -15.778 1.254 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.089 -16.370 1.108 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -7.093 -16.782 2.811 1.00 0.00 H new ATOM 242 N THR A 17 -10.943 -16.541 3.140 1.00 0.00 N ATOM 243 CA THR A 17 -11.810 -17.011 4.208 1.00 0.00 C ATOM 244 C THR A 17 -13.032 -17.724 3.627 1.00 0.00 C ATOM 245 O THR A 17 -13.532 -17.346 2.569 1.00 0.00 O ATOM 246 CB THR A 17 -12.167 -15.812 5.087 1.00 0.00 C ATOM 247 OG1 THR A 17 -12.476 -14.777 4.158 1.00 0.00 O ATOM 248 CG2 THR A 17 -10.963 -15.271 5.859 1.00 0.00 C ATOM 0 H THR A 17 -11.402 -16.430 2.236 1.00 0.00 H new ATOM 0 HA THR A 17 -11.307 -17.751 4.831 1.00 0.00 H new ATOM 0 HB THR A 17 -12.949 -16.100 5.789 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.720 -13.962 4.645 1.00 0.00 H new ATOM 0 HG21 THR A 17 -11.273 -14.421 6.467 1.00 0.00 H new ATOM 0 HG22 THR A 17 -10.564 -16.053 6.505 1.00 0.00 H new ATOM 0 HG23 THR A 17 -10.193 -14.953 5.156 1.00 0.00 H new ATOM 256 N LYS A 18 -13.479 -18.745 4.345 1.00 0.00 N ATOM 257 CA LYS A 18 -14.632 -19.515 3.915 1.00 0.00 C ATOM 258 C LYS A 18 -15.062 -20.455 5.042 1.00 0.00 C ATOM 259 O LYS A 18 -14.822 -21.660 4.977 1.00 0.00 O ATOM 260 CB LYS A 18 -14.335 -20.233 2.596 1.00 0.00 C ATOM 261 CG LYS A 18 -13.181 -21.222 2.757 1.00 0.00 C ATOM 262 CD LYS A 18 -12.198 -21.115 1.589 1.00 0.00 C ATOM 263 CE LYS A 18 -11.421 -22.418 1.405 1.00 0.00 C ATOM 264 NZ LYS A 18 -10.915 -22.529 0.019 1.00 0.00 N ATOM 0 H LYS A 18 -13.062 -19.056 5.222 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.475 -18.855 3.710 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -15.226 -20.761 2.257 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -14.086 -19.501 1.828 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.660 -21.028 3.694 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.573 -22.237 2.815 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.740 -20.879 0.673 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.503 -20.295 1.768 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.587 -22.453 2.106 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.065 -23.267 1.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.390 -23.420 -0.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.715 -22.517 -0.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.284 -21.728 -0.185 1.00 0.00 H new ATOM 274 N ILE A 19 -15.691 -19.869 6.051 1.00 0.00 N ATOM 275 CA ILE A 19 -16.157 -20.639 7.191 1.00 0.00 C ATOM 276 C ILE A 19 -17.683 -20.560 7.265 1.00 0.00 C ATOM 277 O ILE A 19 -18.257 -19.476 7.183 1.00 0.00 O ATOM 278 CB ILE A 19 -15.454 -20.181 8.471 1.00 0.00 C ATOM 279 CG1 ILE A 19 -13.943 -20.396 8.373 1.00 0.00 C ATOM 280 CG2 ILE A 19 -16.054 -20.867 9.700 1.00 0.00 C ATOM 281 CD1 ILE A 19 -13.591 -21.878 8.502 1.00 0.00 C ATOM 0 H ILE A 19 -15.889 -18.870 6.102 1.00 0.00 H new ATOM 0 HA ILE A 19 -15.898 -21.691 7.072 1.00 0.00 H new ATOM 0 HB ILE A 19 -15.619 -19.110 8.588 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -13.579 -20.014 7.419 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -13.440 -19.829 9.157 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -15.537 -20.525 10.596 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -17.113 -20.619 9.775 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -15.940 -21.947 9.606 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -12.511 -22.003 8.429 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -13.935 -22.251 9.467 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -14.076 -22.438 7.703 1.00 0.00 H new ATOM 292 N ASN A 20 -18.298 -21.724 7.419 1.00 0.00 N ATOM 293 CA ASN A 20 -19.746 -21.801 7.505 1.00 0.00 C ATOM 294 C ASN A 20 -20.216 -21.089 8.775 1.00 0.00 C ATOM 295 O ASN A 20 -19.577 -20.141 9.232 1.00 0.00 O ATOM 296 CB ASN A 20 -20.218 -23.254 7.574 1.00 0.00 C ATOM 297 CG ASN A 20 -19.846 -23.886 8.918 1.00 0.00 C ATOM 298 OD1 ASN A 20 -18.723 -23.798 9.385 1.00 0.00 O ATOM 299 ND2 ASN A 20 -20.849 -24.529 9.509 1.00 0.00 N ATOM 0 H ASN A 20 -17.819 -22.622 7.486 1.00 0.00 H new ATOM 0 HA ASN A 20 -20.162 -21.330 6.614 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -21.298 -23.297 7.434 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -19.769 -23.826 6.762 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -20.702 -24.987 10.409 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -21.766 -24.564 9.063 1.00 0.00 H new ATOM 305 N LYS A 21 -21.328 -21.571 9.308 1.00 0.00 N ATOM 306 CA LYS A 21 -21.891 -20.993 10.518 1.00 0.00 C ATOM 307 C LYS A 21 -20.859 -21.072 11.644 1.00 0.00 C ATOM 308 O LYS A 21 -21.016 -20.428 12.679 1.00 0.00 O ATOM 309 CB LYS A 21 -23.226 -21.657 10.858 1.00 0.00 C ATOM 310 CG LYS A 21 -24.186 -20.658 11.508 1.00 0.00 C ATOM 311 CD LYS A 21 -24.786 -21.230 12.794 1.00 0.00 C ATOM 312 CE LYS A 21 -25.796 -20.258 13.407 1.00 0.00 C ATOM 313 NZ LYS A 21 -25.244 -18.886 13.435 1.00 0.00 N ATOM 0 H LYS A 21 -21.855 -22.356 8.925 1.00 0.00 H new ATOM 0 HA LYS A 21 -22.117 -19.937 10.367 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -23.676 -22.062 9.952 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -23.057 -22.496 11.533 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -23.656 -19.732 11.730 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -24.985 -20.409 10.809 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -25.274 -22.181 12.580 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -23.991 -21.434 13.511 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -26.720 -20.273 12.829 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -26.047 -20.576 14.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -25.718 -18.336 14.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -24.223 -18.926 13.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -25.402 -18.429 12.514 1.00 0.00 H new ATOM 323 N GLU A 22 -19.828 -21.870 11.404 1.00 0.00 N ATOM 324 CA GLU A 22 -18.773 -22.044 12.386 1.00 0.00 C ATOM 325 C GLU A 22 -18.115 -20.698 12.702 1.00 0.00 C ATOM 326 O GLU A 22 -17.403 -20.570 13.698 1.00 0.00 O ATOM 327 CB GLU A 22 -17.737 -23.061 11.904 1.00 0.00 C ATOM 328 CG GLU A 22 -16.642 -23.268 12.953 1.00 0.00 C ATOM 329 CD GLU A 22 -16.456 -24.755 13.263 1.00 0.00 C ATOM 330 OE1 GLU A 22 -16.080 -25.488 12.324 1.00 0.00 O ATOM 331 OE2 GLU A 22 -16.692 -25.124 14.434 1.00 0.00 O ATOM 0 H GLU A 22 -19.702 -22.403 10.543 1.00 0.00 H new ATOM 0 HA GLU A 22 -19.217 -22.434 13.302 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.227 -24.011 11.692 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -17.291 -22.717 10.971 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -15.703 -22.848 12.592 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -16.901 -22.732 13.866 1.00 0.00 H new ATOM 336 N ASP A 23 -18.375 -19.730 11.837 1.00 0.00 N ATOM 337 CA ASP A 23 -17.818 -18.400 12.011 1.00 0.00 C ATOM 338 C ASP A 23 -18.740 -17.375 11.348 1.00 0.00 C ATOM 339 O ASP A 23 -19.406 -16.600 12.033 1.00 0.00 O ATOM 340 CB ASP A 23 -16.440 -18.290 11.357 1.00 0.00 C ATOM 341 CG ASP A 23 -15.810 -16.896 11.407 1.00 0.00 C ATOM 342 OD1 ASP A 23 -16.254 -16.104 12.264 1.00 0.00 O ATOM 343 OD2 ASP A 23 -14.896 -16.658 10.587 1.00 0.00 O ATOM 0 H ASP A 23 -18.965 -19.840 11.012 1.00 0.00 H new ATOM 0 HA ASP A 23 -17.725 -18.211 13.080 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -15.766 -18.995 11.844 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -16.524 -18.597 10.315 1.00 0.00 H new ATOM 347 N GLU A 24 -18.749 -17.403 10.024 1.00 0.00 N ATOM 348 CA GLU A 24 -19.580 -16.487 9.261 1.00 0.00 C ATOM 349 C GLU A 24 -19.903 -17.080 7.889 1.00 0.00 C ATOM 350 O GLU A 24 -19.021 -17.212 7.042 1.00 0.00 O ATOM 351 CB GLU A 24 -18.904 -15.121 9.123 1.00 0.00 C ATOM 352 CG GLU A 24 -19.108 -14.277 10.383 1.00 0.00 C ATOM 353 CD GLU A 24 -20.595 -14.146 10.719 1.00 0.00 C ATOM 354 OE1 GLU A 24 -21.310 -13.531 9.898 1.00 0.00 O ATOM 355 OE2 GLU A 24 -20.983 -14.661 11.790 1.00 0.00 O ATOM 0 H GLU A 24 -18.194 -18.046 9.459 1.00 0.00 H new ATOM 0 HA GLU A 24 -20.516 -16.341 9.800 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -17.838 -15.256 8.940 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -19.311 -14.595 8.259 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -18.581 -14.734 11.221 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -18.676 -13.287 10.236 1.00 0.00 H new ATOM 360 N LYS A 25 -21.170 -17.424 7.711 1.00 0.00 N ATOM 361 CA LYS A 25 -21.621 -17.998 6.455 1.00 0.00 C ATOM 362 C LYS A 25 -21.474 -16.961 5.341 1.00 0.00 C ATOM 363 O LYS A 25 -21.186 -17.309 4.198 1.00 0.00 O ATOM 364 CB LYS A 25 -23.041 -18.550 6.599 1.00 0.00 C ATOM 365 CG LYS A 25 -23.088 -19.687 7.623 1.00 0.00 C ATOM 366 CD LYS A 25 -23.497 -21.005 6.962 1.00 0.00 C ATOM 367 CE LYS A 25 -25.000 -21.250 7.112 1.00 0.00 C ATOM 368 NZ LYS A 25 -25.255 -22.628 7.587 1.00 0.00 N ATOM 0 H LYS A 25 -21.899 -17.316 8.416 1.00 0.00 H new ATOM 0 HA LYS A 25 -20.998 -18.849 6.180 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -23.716 -17.751 6.907 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -23.394 -18.911 5.633 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -22.110 -19.799 8.092 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -23.795 -19.439 8.415 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -23.232 -20.983 5.905 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -22.944 -21.829 7.413 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -25.423 -20.532 7.815 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -25.498 -21.091 6.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -26.171 -22.957 7.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -24.500 -23.258 7.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -25.273 -22.639 8.627 1.00 0.00 H new ATOM 378 N PHE A 26 -21.678 -15.706 5.716 1.00 0.00 N ATOM 379 CA PHE A 26 -21.571 -14.615 4.761 1.00 0.00 C ATOM 380 C PHE A 26 -21.816 -13.266 5.442 1.00 0.00 C ATOM 381 O PHE A 26 -22.891 -12.684 5.306 1.00 0.00 O ATOM 382 CB PHE A 26 -22.650 -14.841 3.701 1.00 0.00 C ATOM 383 CG PHE A 26 -22.243 -14.396 2.294 1.00 0.00 C ATOM 384 CD1 PHE A 26 -21.263 -15.062 1.627 1.00 0.00 C ATOM 385 CD2 PHE A 26 -22.862 -13.334 1.712 1.00 0.00 C ATOM 386 CE1 PHE A 26 -20.886 -14.649 0.322 1.00 0.00 C ATOM 387 CE2 PHE A 26 -22.485 -12.921 0.406 1.00 0.00 C ATOM 388 CZ PHE A 26 -21.505 -13.587 -0.261 1.00 0.00 C ATOM 0 H PHE A 26 -21.916 -15.421 6.666 1.00 0.00 H new ATOM 0 HA PHE A 26 -20.572 -14.597 4.326 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -22.905 -15.901 3.676 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -23.552 -14.303 3.995 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -20.771 -15.905 2.090 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -23.640 -12.805 2.242 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -20.108 -15.178 -0.208 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -22.977 -12.078 -0.057 1.00 0.00 H new ATOM 0 HZ PHE A 26 -21.218 -13.273 -1.254 1.00 0.00 H new ATOM 397 N LEU A 27 -20.800 -12.809 6.159 1.00 0.00 N ATOM 398 CA LEU A 27 -20.890 -11.539 6.861 1.00 0.00 C ATOM 399 C LEU A 27 -20.710 -10.395 5.862 1.00 0.00 C ATOM 400 O LEU A 27 -19.810 -10.432 5.026 1.00 0.00 O ATOM 401 CB LEU A 27 -19.902 -11.500 8.027 1.00 0.00 C ATOM 402 CG LEU A 27 -18.469 -11.088 7.679 1.00 0.00 C ATOM 403 CD1 LEU A 27 -18.197 -9.643 8.101 1.00 0.00 C ATOM 404 CD2 LEU A 27 -17.456 -12.063 8.280 1.00 0.00 C ATOM 0 H LEU A 27 -19.910 -13.295 6.269 1.00 0.00 H new ATOM 0 HA LEU A 27 -21.877 -11.419 7.307 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -20.285 -10.810 8.779 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -19.873 -12.488 8.486 1.00 0.00 H new ATOM 0 HG LEU A 27 -18.353 -11.134 6.596 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -17.172 -9.375 7.843 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -18.888 -8.977 7.584 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -18.337 -9.546 9.178 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -16.447 -11.747 8.017 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -17.562 -12.075 9.365 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -17.637 -13.063 7.887 1.00 0.00 H new ATOM 415 N LYS A 28 -21.583 -9.405 5.983 1.00 0.00 N ATOM 416 CA LYS A 28 -21.530 -8.251 5.102 1.00 0.00 C ATOM 417 C LYS A 28 -20.384 -7.334 5.536 1.00 0.00 C ATOM 418 O LYS A 28 -20.618 -6.210 5.978 1.00 0.00 O ATOM 419 CB LYS A 28 -22.890 -7.551 5.051 1.00 0.00 C ATOM 420 CG LYS A 28 -23.928 -8.425 4.343 1.00 0.00 C ATOM 421 CD LYS A 28 -24.121 -7.982 2.892 1.00 0.00 C ATOM 422 CE LYS A 28 -25.440 -7.225 2.721 1.00 0.00 C ATOM 423 NZ LYS A 28 -25.618 -6.807 1.313 1.00 0.00 N ATOM 0 H LYS A 28 -22.330 -9.379 6.677 1.00 0.00 H new ATOM 0 HA LYS A 28 -21.319 -8.564 4.079 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -23.227 -7.328 6.063 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -22.794 -6.599 4.529 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -23.610 -9.467 4.369 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -24.879 -8.369 4.873 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -23.290 -7.345 2.589 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -24.110 -8.853 2.237 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -26.272 -7.859 3.026 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -25.451 -6.350 3.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -26.518 -6.295 1.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -24.833 -6.185 1.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -25.629 -7.647 0.700 1.00 0.00 H new ATOM 433 N GLY A 29 -19.172 -7.849 5.398 1.00 0.00 N ATOM 434 CA GLY A 29 -17.990 -7.090 5.771 1.00 0.00 C ATOM 435 C GLY A 29 -16.747 -7.625 5.056 1.00 0.00 C ATOM 436 O GLY A 29 -15.928 -6.850 4.560 1.00 0.00 O ATOM 0 H GLY A 29 -18.982 -8.782 5.033 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -18.134 -6.039 5.520 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.845 -7.143 6.850 1.00 0.00 H new ATOM 440 N LYS A 30 -16.644 -8.945 5.023 1.00 0.00 N ATOM 441 CA LYS A 30 -15.514 -9.593 4.379 1.00 0.00 C ATOM 442 C LYS A 30 -15.589 -9.357 2.869 1.00 0.00 C ATOM 443 O LYS A 30 -16.679 -9.243 2.308 1.00 0.00 O ATOM 444 CB LYS A 30 -15.450 -11.071 4.768 1.00 0.00 C ATOM 445 CG LYS A 30 -16.554 -11.870 4.069 1.00 0.00 C ATOM 446 CD LYS A 30 -15.961 -13.004 3.232 1.00 0.00 C ATOM 447 CE LYS A 30 -16.937 -13.443 2.137 1.00 0.00 C ATOM 448 NZ LYS A 30 -17.587 -14.721 2.504 1.00 0.00 N ATOM 0 H LYS A 30 -17.325 -9.584 5.432 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.577 -9.156 4.724 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.475 -11.479 4.501 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -15.552 -11.171 5.849 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -17.237 -12.280 4.812 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -17.138 -11.208 3.430 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.025 -12.677 2.780 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.725 -13.851 3.876 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -17.694 -12.673 1.986 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.406 -13.557 1.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -18.246 -15.004 1.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -16.862 -15.457 2.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -18.111 -14.601 3.395 1.00 0.00 H new ATOM 458 N PRO A 31 -14.387 -9.288 2.237 1.00 0.00 N ATOM 459 CA PRO A 31 -14.308 -9.066 0.803 1.00 0.00 C ATOM 460 C PRO A 31 -14.678 -10.333 0.031 1.00 0.00 C ATOM 461 O PRO A 31 -14.475 -11.444 0.518 1.00 0.00 O ATOM 462 CB PRO A 31 -12.876 -8.617 0.555 1.00 0.00 C ATOM 463 CG PRO A 31 -12.085 -9.049 1.778 1.00 0.00 C ATOM 464 CD PRO A 31 -13.078 -9.418 2.868 1.00 0.00 C ATOM 0 HA PRO A 31 -15.015 -8.314 0.453 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -12.475 -9.073 -0.350 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -12.824 -7.537 0.418 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.447 -9.900 1.539 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -11.431 -8.244 2.114 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -12.911 -10.433 3.228 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -12.986 -8.755 3.728 1.00 0.00 H new ATOM 469 N GLY A 32 -15.218 -10.125 -1.161 1.00 0.00 N ATOM 470 CA GLY A 32 -15.620 -11.237 -2.005 1.00 0.00 C ATOM 471 C GLY A 32 -14.666 -11.400 -3.189 1.00 0.00 C ATOM 472 O GLY A 32 -14.336 -12.520 -3.574 1.00 0.00 O ATOM 0 H GLY A 32 -15.386 -9.202 -1.562 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -15.637 -12.156 -1.418 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -16.634 -11.073 -2.370 1.00 0.00 H new ATOM 476 N LYS A 33 -14.252 -10.266 -3.734 1.00 0.00 N ATOM 477 CA LYS A 33 -13.342 -10.269 -4.868 1.00 0.00 C ATOM 478 C LYS A 33 -11.899 -10.273 -4.358 1.00 0.00 C ATOM 479 O LYS A 33 -11.654 -10.043 -3.175 1.00 0.00 O ATOM 480 CB LYS A 33 -13.659 -9.107 -5.812 1.00 0.00 C ATOM 481 CG LYS A 33 -14.220 -9.617 -7.141 1.00 0.00 C ATOM 482 CD LYS A 33 -15.090 -8.552 -7.812 1.00 0.00 C ATOM 483 CE LYS A 33 -14.983 -8.638 -9.335 1.00 0.00 C ATOM 484 NZ LYS A 33 -15.614 -7.458 -9.967 1.00 0.00 N ATOM 0 H LYS A 33 -14.529 -9.339 -3.412 1.00 0.00 H new ATOM 0 HA LYS A 33 -13.473 -11.175 -5.460 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -14.380 -8.438 -5.342 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.756 -8.525 -5.994 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -13.400 -9.893 -7.804 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -14.809 -10.518 -6.970 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -16.129 -8.682 -7.509 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -14.782 -7.561 -7.477 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.935 -8.698 -9.629 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -15.466 -9.549 -9.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -15.532 -7.533 -11.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -16.619 -7.417 -9.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -15.135 -6.593 -9.644 1.00 0.00 H new ATOM 494 N MET A 34 -10.982 -10.537 -5.278 1.00 0.00 N ATOM 495 CA MET A 34 -9.570 -10.573 -4.936 1.00 0.00 C ATOM 496 C MET A 34 -8.885 -9.253 -5.296 1.00 0.00 C ATOM 497 O MET A 34 -9.309 -8.562 -6.220 1.00 0.00 O ATOM 498 CB MET A 34 -8.893 -11.722 -5.688 1.00 0.00 C ATOM 499 CG MET A 34 -9.499 -13.070 -5.290 1.00 0.00 C ATOM 500 SD MET A 34 -10.281 -13.827 -6.705 1.00 0.00 S ATOM 501 CE MET A 34 -10.022 -15.549 -6.316 1.00 0.00 C ATOM 0 H MET A 34 -11.189 -10.728 -6.258 1.00 0.00 H new ATOM 0 HA MET A 34 -9.479 -10.726 -3.861 1.00 0.00 H new ATOM 0 HB2 MET A 34 -9.003 -11.573 -6.762 1.00 0.00 H new ATOM 0 HB3 MET A 34 -7.824 -11.722 -5.474 1.00 0.00 H new ATOM 0 HG2 MET A 34 -8.722 -13.726 -4.899 1.00 0.00 H new ATOM 0 HG3 MET A 34 -10.229 -12.929 -4.493 1.00 0.00 H new ATOM 0 HE1 MET A 34 -10.452 -16.168 -7.103 1.00 0.00 H new ATOM 0 HE2 MET A 34 -8.953 -15.748 -6.241 1.00 0.00 H new ATOM 0 HE3 MET A 34 -10.502 -15.784 -5.366 1.00 0.00 H new ATOM 509 N HIS A 35 -7.838 -8.943 -4.544 1.00 0.00 N ATOM 510 CA HIS A 35 -7.091 -7.719 -4.773 1.00 0.00 C ATOM 511 C HIS A 35 -8.061 -6.551 -4.955 1.00 0.00 C ATOM 512 O HIS A 35 -8.267 -6.079 -6.072 1.00 0.00 O ATOM 513 CB HIS A 35 -6.128 -7.880 -5.951 1.00 0.00 C ATOM 514 CG HIS A 35 -6.702 -8.661 -7.110 1.00 0.00 C ATOM 515 ND1 HIS A 35 -6.748 -10.004 -7.344 1.00 0.00 N flip ATOM 516 CD2 HIS A 35 -7.317 -8.054 -8.191 1.00 0.00 C flip ATOM 517 CE1 HIS A 35 -7.358 -10.207 -8.505 1.00 0.00 C flip ATOM 518 NE2 HIS A 35 -7.712 -9.000 -9.032 1.00 0.00 N flip ATOM 0 H HIS A 35 -7.490 -9.518 -3.777 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.473 -7.500 -3.903 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -5.832 -6.892 -6.303 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -5.223 -8.378 -5.602 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -7.452 -6.991 -8.327 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.544 -11.170 -8.958 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -8.196 -8.851 -9.918 1.00 0.00 H new ATOM 525 N GLU A 36 -8.634 -6.119 -3.840 1.00 0.00 N ATOM 526 CA GLU A 36 -9.577 -5.015 -3.865 1.00 0.00 C ATOM 527 C GLU A 36 -9.113 -3.899 -2.925 1.00 0.00 C ATOM 528 O GLU A 36 -8.439 -4.163 -1.930 1.00 0.00 O ATOM 529 CB GLU A 36 -10.986 -5.490 -3.498 1.00 0.00 C ATOM 530 CG GLU A 36 -11.869 -5.599 -4.742 1.00 0.00 C ATOM 531 CD GLU A 36 -13.201 -4.877 -4.534 1.00 0.00 C ATOM 532 OE1 GLU A 36 -13.181 -3.627 -4.573 1.00 0.00 O ATOM 533 OE2 GLU A 36 -14.209 -5.590 -4.341 1.00 0.00 O ATOM 0 H GLU A 36 -8.463 -6.514 -2.915 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.615 -4.617 -4.879 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.929 -6.459 -3.002 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.435 -4.795 -2.789 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.350 -5.171 -5.600 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.052 -6.649 -4.971 1.00 0.00 H new ATOM 538 N PHE A 37 -9.492 -2.679 -3.275 1.00 0.00 N ATOM 539 CA PHE A 37 -9.124 -1.523 -2.476 1.00 0.00 C ATOM 540 C PHE A 37 -9.736 -1.607 -1.076 1.00 0.00 C ATOM 541 O PHE A 37 -10.910 -1.943 -0.927 1.00 0.00 O ATOM 542 CB PHE A 37 -9.679 -0.290 -3.189 1.00 0.00 C ATOM 543 CG PHE A 37 -9.444 -0.288 -4.702 1.00 0.00 C ATOM 544 CD1 PHE A 37 -8.359 -0.921 -5.223 1.00 0.00 C ATOM 545 CD2 PHE A 37 -10.319 0.349 -5.525 1.00 0.00 C ATOM 546 CE1 PHE A 37 -8.142 -0.920 -6.625 1.00 0.00 C ATOM 547 CE2 PHE A 37 -10.101 0.350 -6.927 1.00 0.00 C ATOM 548 CZ PHE A 37 -9.016 -0.283 -7.449 1.00 0.00 C ATOM 0 H PHE A 37 -10.050 -2.466 -4.102 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.040 -1.476 -2.368 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -10.750 -0.224 -2.998 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -9.223 0.602 -2.759 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -7.662 -1.425 -4.569 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -11.180 0.854 -5.112 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -7.282 -1.426 -7.038 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -10.797 0.854 -7.581 1.00 0.00 H new ATOM 0 HZ PHE A 37 -8.849 -0.280 -8.516 1.00 0.00 H new ATOM 557 N VAL A 38 -8.913 -1.295 -0.085 1.00 0.00 N ATOM 558 CA VAL A 38 -9.359 -1.331 1.297 1.00 0.00 C ATOM 559 C VAL A 38 -9.652 0.093 1.771 1.00 0.00 C ATOM 560 O VAL A 38 -10.588 0.316 2.536 1.00 0.00 O ATOM 561 CB VAL A 38 -8.321 -2.049 2.163 1.00 0.00 C ATOM 562 CG1 VAL A 38 -7.059 -1.197 2.324 1.00 0.00 C ATOM 563 CG2 VAL A 38 -8.907 -2.422 3.526 1.00 0.00 C ATOM 0 H VAL A 38 -7.940 -1.016 -0.212 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.285 -1.899 1.385 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.041 -2.972 1.655 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.337 -1.729 2.943 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.623 -1.003 1.344 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.317 -0.251 2.800 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.149 -2.931 4.121 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.228 -1.518 4.044 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.762 -3.083 3.386 1.00 0.00 H new ATOM 573 N ASP A 39 -8.833 1.021 1.297 1.00 0.00 N ATOM 574 CA ASP A 39 -8.993 2.418 1.663 1.00 0.00 C ATOM 575 C ASP A 39 -8.050 3.274 0.814 1.00 0.00 C ATOM 576 O ASP A 39 -7.088 2.765 0.243 1.00 0.00 O ATOM 577 CB ASP A 39 -8.641 2.647 3.134 1.00 0.00 C ATOM 578 CG ASP A 39 -9.757 3.269 3.977 1.00 0.00 C ATOM 579 OD1 ASP A 39 -10.128 4.420 3.663 1.00 0.00 O ATOM 580 OD2 ASP A 39 -10.212 2.580 4.915 1.00 0.00 O ATOM 0 H ASP A 39 -8.057 0.832 0.663 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.034 2.693 1.494 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.360 1.692 3.578 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.764 3.292 3.186 1.00 0.00 H new ATOM 584 N GLU A 40 -8.361 4.560 0.758 1.00 0.00 N ATOM 585 CA GLU A 40 -7.554 5.492 -0.012 1.00 0.00 C ATOM 586 C GLU A 40 -7.004 6.594 0.896 1.00 0.00 C ATOM 587 O GLU A 40 -7.727 7.133 1.732 1.00 0.00 O ATOM 588 CB GLU A 40 -8.359 6.087 -1.171 1.00 0.00 C ATOM 589 CG GLU A 40 -9.100 4.992 -1.941 1.00 0.00 C ATOM 590 CD GLU A 40 -10.611 5.231 -1.914 1.00 0.00 C ATOM 591 OE1 GLU A 40 -11.050 6.163 -2.623 1.00 0.00 O ATOM 592 OE2 GLU A 40 -11.293 4.477 -1.187 1.00 0.00 O ATOM 0 H GLU A 40 -9.160 4.979 1.233 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.713 4.947 -0.439 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.074 6.814 -0.787 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.691 6.623 -1.845 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.750 4.968 -2.973 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.874 4.019 -1.505 1.00 0.00 H new ATOM 597 N LEU A 41 -5.730 6.896 0.699 1.00 0.00 N ATOM 598 CA LEU A 41 -5.073 7.924 1.491 1.00 0.00 C ATOM 599 C LEU A 41 -4.343 8.891 0.559 1.00 0.00 C ATOM 600 O LEU A 41 -3.810 8.483 -0.472 1.00 0.00 O ATOM 601 CB LEU A 41 -4.169 7.288 2.549 1.00 0.00 C ATOM 602 CG LEU A 41 -4.850 6.326 3.525 1.00 0.00 C ATOM 603 CD1 LEU A 41 -4.743 4.881 3.035 1.00 0.00 C ATOM 604 CD2 LEU A 41 -4.295 6.496 4.940 1.00 0.00 C ATOM 0 H LEU A 41 -5.134 6.448 0.003 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.809 8.508 2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.369 6.751 2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.700 8.086 3.125 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.911 6.574 3.565 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.235 4.218 3.747 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.225 4.790 2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.693 4.604 2.947 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.796 5.801 5.613 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.224 6.291 4.938 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.468 7.517 5.279 1.00 0.00 H new ATOM 615 N ILE A 42 -4.339 10.156 0.954 1.00 0.00 N ATOM 616 CA ILE A 42 -3.684 11.184 0.166 1.00 0.00 C ATOM 617 C ILE A 42 -2.205 11.252 0.552 1.00 0.00 C ATOM 618 O ILE A 42 -1.873 11.422 1.724 1.00 0.00 O ATOM 619 CB ILE A 42 -4.418 12.519 0.310 1.00 0.00 C ATOM 620 CG1 ILE A 42 -5.933 12.322 0.239 1.00 0.00 C ATOM 621 CG2 ILE A 42 -3.923 13.532 -0.725 1.00 0.00 C ATOM 622 CD1 ILE A 42 -6.337 11.643 -1.072 1.00 0.00 C ATOM 0 H ILE A 42 -4.780 10.492 1.810 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.727 10.935 -0.894 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.192 12.928 1.295 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.265 11.717 1.083 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.433 13.287 0.322 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.461 14.472 -0.601 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.856 13.703 -0.585 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.099 13.143 -1.728 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -7.419 11.515 -1.097 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.025 12.262 -1.913 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.854 10.668 -1.141 1.00 0.00 H new ATOM 633 N LEU A 43 -1.356 11.115 -0.456 1.00 0.00 N ATOM 634 CA LEU A 43 0.080 11.161 -0.237 1.00 0.00 C ATOM 635 C LEU A 43 0.642 12.452 -0.833 1.00 0.00 C ATOM 636 O LEU A 43 0.107 12.975 -1.810 1.00 0.00 O ATOM 637 CB LEU A 43 0.744 9.893 -0.779 1.00 0.00 C ATOM 638 CG LEU A 43 -0.204 8.795 -1.264 1.00 0.00 C ATOM 639 CD1 LEU A 43 -0.425 8.888 -2.774 1.00 0.00 C ATOM 640 CD2 LEU A 43 0.299 7.412 -0.844 1.00 0.00 C ATOM 0 H LEU A 43 -1.635 10.972 -1.427 1.00 0.00 H new ATOM 0 HA LEU A 43 0.303 11.180 0.830 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.397 10.173 -1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.380 9.477 0.002 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.172 8.946 -0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.103 8.096 -3.092 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.859 9.857 -3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.529 8.777 -3.289 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.393 6.649 -1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.285 7.237 -1.274 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.364 7.363 0.243 1.00 0.00 H new ATOM 651 N PRO A 44 1.742 12.944 -0.205 1.00 0.00 N ATOM 652 CA PRO A 44 2.384 14.165 -0.662 1.00 0.00 C ATOM 653 C PRO A 44 3.182 13.918 -1.942 1.00 0.00 C ATOM 654 O PRO A 44 4.292 14.429 -2.093 1.00 0.00 O ATOM 655 CB PRO A 44 3.250 14.615 0.503 1.00 0.00 C ATOM 656 CG PRO A 44 3.426 13.391 1.388 1.00 0.00 C ATOM 657 CD PRO A 44 2.404 12.352 0.955 1.00 0.00 C ATOM 0 HA PRO A 44 1.668 14.942 -0.930 1.00 0.00 H new ATOM 0 HB2 PRO A 44 4.213 14.986 0.153 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.775 15.429 1.051 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.437 12.994 1.294 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.283 13.654 2.436 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.884 11.408 0.698 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.692 12.141 1.753 1.00 0.00 H new ATOM 662 N PHE A 45 2.588 13.138 -2.832 1.00 0.00 N ATOM 663 CA PHE A 45 3.231 12.818 -4.095 1.00 0.00 C ATOM 664 C PHE A 45 2.816 13.803 -5.189 1.00 0.00 C ATOM 665 O PHE A 45 1.631 14.089 -5.354 1.00 0.00 O ATOM 666 CB PHE A 45 2.769 11.414 -4.488 1.00 0.00 C ATOM 667 CG PHE A 45 2.739 11.167 -5.998 1.00 0.00 C ATOM 668 CD1 PHE A 45 3.885 11.263 -6.724 1.00 0.00 C ATOM 669 CD2 PHE A 45 1.568 10.856 -6.614 1.00 0.00 C ATOM 670 CE1 PHE A 45 3.859 11.035 -8.126 1.00 0.00 C ATOM 671 CE2 PHE A 45 1.541 10.629 -8.016 1.00 0.00 C ATOM 672 CZ PHE A 45 2.687 10.722 -8.742 1.00 0.00 C ATOM 0 H PHE A 45 1.668 12.718 -2.704 1.00 0.00 H new ATOM 0 HA PHE A 45 4.314 12.875 -3.985 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.430 10.682 -4.024 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.771 11.244 -4.083 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.815 11.513 -6.235 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.658 10.781 -6.037 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.769 11.110 -8.703 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.610 10.383 -8.505 1.00 0.00 H new ATOM 0 HZ PHE A 45 2.667 10.547 -9.808 1.00 0.00 H new ATOM 681 N ASN A 46 3.814 14.298 -5.906 1.00 0.00 N ATOM 682 CA ASN A 46 3.567 15.244 -6.979 1.00 0.00 C ATOM 683 C ASN A 46 4.137 14.688 -8.286 1.00 0.00 C ATOM 684 O ASN A 46 5.014 13.826 -8.268 1.00 0.00 O ATOM 685 CB ASN A 46 4.250 16.585 -6.700 1.00 0.00 C ATOM 686 CG ASN A 46 3.222 17.655 -6.324 1.00 0.00 C ATOM 687 OD1 ASN A 46 3.235 18.210 -5.237 1.00 0.00 O ATOM 688 ND2 ASN A 46 2.336 17.913 -7.282 1.00 0.00 N ATOM 0 H ASN A 46 4.796 14.061 -5.764 1.00 0.00 H new ATOM 0 HA ASN A 46 2.490 15.395 -7.052 1.00 0.00 H new ATOM 0 HB2 ASN A 46 4.972 16.469 -5.891 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.807 16.904 -7.581 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.610 18.613 -7.130 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.383 17.411 -8.169 1.00 0.00 H new ATOM 694 N VAL A 47 3.616 15.204 -9.389 1.00 0.00 N ATOM 695 CA VAL A 47 4.062 14.769 -10.702 1.00 0.00 C ATOM 696 C VAL A 47 5.403 15.431 -11.024 1.00 0.00 C ATOM 697 O VAL A 47 6.103 15.007 -11.942 1.00 0.00 O ATOM 698 CB VAL A 47 2.983 15.066 -11.746 1.00 0.00 C ATOM 699 CG1 VAL A 47 3.448 14.658 -13.146 1.00 0.00 C ATOM 700 CG2 VAL A 47 1.665 14.378 -11.384 1.00 0.00 C ATOM 0 H VAL A 47 2.889 15.919 -9.401 1.00 0.00 H new ATOM 0 HA VAL A 47 4.220 13.691 -10.715 1.00 0.00 H new ATOM 0 HB VAL A 47 2.809 16.142 -11.751 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.663 14.880 -13.869 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.349 15.214 -13.407 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.664 13.590 -13.161 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.916 14.606 -12.142 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.818 13.300 -11.337 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.321 14.738 -10.414 1.00 0.00 H new ATOM 710 N ASP A 48 5.722 16.458 -10.250 1.00 0.00 N ATOM 711 CA ASP A 48 6.968 17.181 -10.440 1.00 0.00 C ATOM 712 C ASP A 48 7.934 16.830 -9.307 1.00 0.00 C ATOM 713 O ASP A 48 8.651 17.696 -8.809 1.00 0.00 O ATOM 714 CB ASP A 48 6.737 18.693 -10.415 1.00 0.00 C ATOM 715 CG ASP A 48 6.674 19.313 -9.018 1.00 0.00 C ATOM 716 OD1 ASP A 48 5.616 19.151 -8.371 1.00 0.00 O ATOM 717 OD2 ASP A 48 7.685 19.935 -8.627 1.00 0.00 O ATOM 0 H ASP A 48 5.139 16.807 -9.489 1.00 0.00 H new ATOM 0 HA ASP A 48 7.379 16.896 -11.408 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.537 19.177 -10.976 1.00 0.00 H new ATOM 0 HB3 ASP A 48 5.805 18.912 -10.936 1.00 0.00 H new ATOM 721 N GLU A 49 7.922 15.559 -8.935 1.00 0.00 N ATOM 722 CA GLU A 49 8.789 15.084 -7.870 1.00 0.00 C ATOM 723 C GLU A 49 8.972 13.568 -7.971 1.00 0.00 C ATOM 724 O GLU A 49 9.121 12.887 -6.959 1.00 0.00 O ATOM 725 CB GLU A 49 8.240 15.478 -6.497 1.00 0.00 C ATOM 726 CG GLU A 49 6.993 14.662 -6.150 1.00 0.00 C ATOM 727 CD GLU A 49 6.749 14.649 -4.639 1.00 0.00 C ATOM 728 OE1 GLU A 49 7.512 13.942 -3.946 1.00 0.00 O ATOM 729 OE2 GLU A 49 5.803 15.346 -4.213 1.00 0.00 O ATOM 0 H GLU A 49 7.326 14.844 -9.352 1.00 0.00 H new ATOM 0 HA GLU A 49 9.764 15.558 -7.985 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.005 15.321 -5.737 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.997 16.541 -6.490 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.126 15.083 -6.658 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.110 13.641 -6.512 1.00 0.00 H new ATOM 734 N LEU A 50 8.956 13.084 -9.205 1.00 0.00 N ATOM 735 CA LEU A 50 9.121 11.662 -9.453 1.00 0.00 C ATOM 736 C LEU A 50 10.480 11.209 -8.917 1.00 0.00 C ATOM 737 O LEU A 50 10.608 10.102 -8.397 1.00 0.00 O ATOM 738 CB LEU A 50 8.907 11.348 -10.935 1.00 0.00 C ATOM 739 CG LEU A 50 7.453 11.232 -11.394 1.00 0.00 C ATOM 740 CD1 LEU A 50 6.769 10.025 -10.746 1.00 0.00 C ATOM 741 CD2 LEU A 50 6.689 12.532 -11.134 1.00 0.00 C ATOM 0 H LEU A 50 8.831 13.652 -10.043 1.00 0.00 H new ATOM 0 HA LEU A 50 8.362 11.091 -8.918 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.392 12.126 -11.524 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.415 10.411 -11.164 1.00 0.00 H new ATOM 0 HG LEU A 50 7.447 11.067 -12.471 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.736 9.965 -11.089 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.298 9.114 -11.026 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.786 10.136 -9.662 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.658 12.421 -11.470 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.701 12.754 -10.067 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.163 13.348 -11.680 1.00 0.00 H new ATOM 752 N ASP A 51 11.460 12.088 -9.064 1.00 0.00 N ATOM 753 CA ASP A 51 12.805 11.793 -8.601 1.00 0.00 C ATOM 754 C ASP A 51 12.816 11.751 -7.072 1.00 0.00 C ATOM 755 O ASP A 51 13.333 10.807 -6.476 1.00 0.00 O ATOM 756 CB ASP A 51 13.793 12.870 -9.052 1.00 0.00 C ATOM 757 CG ASP A 51 13.989 12.975 -10.566 1.00 0.00 C ATOM 758 OD1 ASP A 51 13.172 13.681 -11.196 1.00 0.00 O ATOM 759 OD2 ASP A 51 14.952 12.348 -11.058 1.00 0.00 O ATOM 0 H ASP A 51 11.349 13.005 -9.497 1.00 0.00 H new ATOM 0 HA ASP A 51 13.103 10.833 -9.022 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.451 13.835 -8.677 1.00 0.00 H new ATOM 0 HB3 ASP A 51 14.760 12.672 -8.589 1.00 0.00 H new ATOM 763 N GLU A 52 12.239 12.786 -6.479 1.00 0.00 N ATOM 764 CA GLU A 52 12.176 12.881 -5.032 1.00 0.00 C ATOM 765 C GLU A 52 11.264 11.790 -4.466 1.00 0.00 C ATOM 766 O GLU A 52 11.534 11.243 -3.399 1.00 0.00 O ATOM 767 CB GLU A 52 11.706 14.270 -4.592 1.00 0.00 C ATOM 768 CG GLU A 52 12.517 14.771 -3.396 1.00 0.00 C ATOM 769 CD GLU A 52 11.804 15.930 -2.697 1.00 0.00 C ATOM 770 OE1 GLU A 52 10.608 15.754 -2.381 1.00 0.00 O ATOM 771 OE2 GLU A 52 12.474 16.966 -2.492 1.00 0.00 O ATOM 0 H GLU A 52 11.811 13.567 -6.976 1.00 0.00 H new ATOM 0 HA GLU A 52 13.180 12.730 -4.635 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.804 14.970 -5.421 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.649 14.234 -4.329 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.672 13.955 -2.690 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.503 15.094 -3.730 1.00 0.00 H new ATOM 776 N LEU A 53 10.204 11.507 -5.208 1.00 0.00 N ATOM 777 CA LEU A 53 9.251 10.491 -4.795 1.00 0.00 C ATOM 778 C LEU A 53 9.905 9.112 -4.897 1.00 0.00 C ATOM 779 O LEU A 53 9.714 8.265 -4.027 1.00 0.00 O ATOM 780 CB LEU A 53 7.952 10.618 -5.594 1.00 0.00 C ATOM 781 CG LEU A 53 6.945 9.479 -5.422 1.00 0.00 C ATOM 782 CD1 LEU A 53 5.838 9.869 -4.441 1.00 0.00 C ATOM 783 CD2 LEU A 53 6.382 9.036 -6.775 1.00 0.00 C ATOM 0 H LEU A 53 9.984 11.964 -6.093 1.00 0.00 H new ATOM 0 HA LEU A 53 8.971 10.634 -3.751 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.466 11.552 -5.313 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.205 10.696 -6.651 1.00 0.00 H new ATOM 0 HG LEU A 53 7.467 8.623 -4.994 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.136 9.042 -4.337 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.276 10.097 -3.469 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.312 10.747 -4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.669 8.226 -6.625 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.880 9.877 -7.253 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.196 8.690 -7.412 1.00 0.00 H new ATOM 794 N ASN A 54 10.661 8.929 -5.969 1.00 0.00 N ATOM 795 CA ASN A 54 11.343 7.668 -6.197 1.00 0.00 C ATOM 796 C ASN A 54 12.437 7.486 -5.142 1.00 0.00 C ATOM 797 O ASN A 54 12.712 6.366 -4.714 1.00 0.00 O ATOM 798 CB ASN A 54 12.007 7.641 -7.575 1.00 0.00 C ATOM 799 CG ASN A 54 11.149 6.875 -8.584 1.00 0.00 C ATOM 800 OD1 ASN A 54 11.254 5.671 -8.737 1.00 0.00 O ATOM 801 ND2 ASN A 54 10.298 7.641 -9.261 1.00 0.00 N ATOM 0 H ASN A 54 10.816 9.634 -6.690 1.00 0.00 H new ATOM 0 HA ASN A 54 10.603 6.870 -6.138 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.164 8.661 -7.927 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.989 7.175 -7.500 1.00 0.00 H new ATOM 0 HD21 ASN A 54 9.681 7.225 -9.959 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.262 8.645 -9.082 1.00 0.00 H new ATOM 807 N THR A 55 13.030 8.604 -4.752 1.00 0.00 N ATOM 808 CA THR A 55 14.087 8.583 -3.755 1.00 0.00 C ATOM 809 C THR A 55 13.505 8.306 -2.367 1.00 0.00 C ATOM 810 O THR A 55 14.040 7.491 -1.618 1.00 0.00 O ATOM 811 CB THR A 55 14.846 9.908 -3.842 1.00 0.00 C ATOM 812 OG1 THR A 55 16.213 9.537 -3.685 1.00 0.00 O ATOM 813 CG2 THR A 55 14.568 10.821 -2.646 1.00 0.00 C ATOM 0 H THR A 55 12.799 9.531 -5.108 1.00 0.00 H new ATOM 0 HA THR A 55 14.793 7.775 -3.944 1.00 0.00 H new ATOM 0 HB THR A 55 14.573 10.423 -4.763 1.00 0.00 H new ATOM 0 HG1 THR A 55 16.777 10.337 -3.731 1.00 0.00 H new ATOM 0 HG21 THR A 55 15.131 11.748 -2.757 1.00 0.00 H new ATOM 0 HG22 THR A 55 13.503 11.047 -2.601 1.00 0.00 H new ATOM 0 HG23 THR A 55 14.872 10.320 -1.727 1.00 0.00 H new ATOM 821 N TRP A 56 12.417 8.998 -2.068 1.00 0.00 N ATOM 822 CA TRP A 56 11.757 8.837 -0.783 1.00 0.00 C ATOM 823 C TRP A 56 11.116 7.448 -0.752 1.00 0.00 C ATOM 824 O TRP A 56 11.282 6.706 0.214 1.00 0.00 O ATOM 825 CB TRP A 56 10.750 9.964 -0.538 1.00 0.00 C ATOM 826 CG TRP A 56 9.308 9.485 -0.368 1.00 0.00 C ATOM 827 CD1 TRP A 56 8.866 8.429 0.329 1.00 0.00 C ATOM 828 CD2 TRP A 56 8.129 10.091 -0.938 1.00 0.00 C ATOM 829 NE1 TRP A 56 7.493 8.311 0.251 1.00 0.00 N ATOM 830 CE2 TRP A 56 7.031 9.354 -0.544 1.00 0.00 C ATOM 831 CE3 TRP A 56 7.994 11.223 -1.759 1.00 0.00 C ATOM 832 CZ2 TRP A 56 5.720 9.668 -0.922 1.00 0.00 C ATOM 833 CZ3 TRP A 56 6.678 11.525 -2.129 1.00 0.00 C ATOM 834 CH2 TRP A 56 5.561 10.793 -1.741 1.00 0.00 C ATOM 0 H TRP A 56 11.975 9.672 -2.693 1.00 0.00 H new ATOM 0 HA TRP A 56 12.478 8.908 0.032 1.00 0.00 H new ATOM 0 HB2 TRP A 56 11.047 10.514 0.355 1.00 0.00 H new ATOM 0 HB3 TRP A 56 10.793 10.664 -1.373 1.00 0.00 H new ATOM 0 HD1 TRP A 56 9.504 7.755 0.882 1.00 0.00 H new ATOM 0 HE1 TRP A 56 6.922 7.591 0.695 1.00 0.00 H new ATOM 0 HE3 TRP A 56 8.839 11.814 -2.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 4.877 9.075 -0.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 6.519 12.387 -2.760 1.00 0.00 H new ATOM 0 HH2 TRP A 56 4.576 11.090 -2.069 1.00 0.00 H new ATOM 844 N PHE A 57 10.397 7.138 -1.821 1.00 0.00 N ATOM 845 CA PHE A 57 9.730 5.851 -1.928 1.00 0.00 C ATOM 846 C PHE A 57 10.741 4.704 -1.864 1.00 0.00 C ATOM 847 O PHE A 57 10.472 3.670 -1.255 1.00 0.00 O ATOM 848 CB PHE A 57 9.030 5.823 -3.288 1.00 0.00 C ATOM 849 CG PHE A 57 8.215 4.553 -3.541 1.00 0.00 C ATOM 850 CD1 PHE A 57 8.844 3.353 -3.659 1.00 0.00 C ATOM 851 CD2 PHE A 57 6.861 4.625 -3.648 1.00 0.00 C ATOM 852 CE1 PHE A 57 8.086 2.175 -3.894 1.00 0.00 C ATOM 853 CE2 PHE A 57 6.104 3.446 -3.882 1.00 0.00 C ATOM 854 CZ PHE A 57 6.732 2.247 -4.001 1.00 0.00 C ATOM 0 H PHE A 57 10.262 7.756 -2.621 1.00 0.00 H new ATOM 0 HA PHE A 57 9.026 5.726 -1.105 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.370 6.687 -3.364 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.779 5.924 -4.073 1.00 0.00 H new ATOM 0 HD1 PHE A 57 9.919 3.296 -3.574 1.00 0.00 H new ATOM 0 HD2 PHE A 57 6.362 5.578 -3.555 1.00 0.00 H new ATOM 0 HE1 PHE A 57 8.585 1.222 -3.988 1.00 0.00 H new ATOM 0 HE2 PHE A 57 5.029 3.503 -3.965 1.00 0.00 H new ATOM 0 HZ PHE A 57 6.156 1.351 -4.181 1.00 0.00 H new ATOM 863 N ASP A 58 11.882 4.925 -2.500 1.00 0.00 N ATOM 864 CA ASP A 58 12.933 3.922 -2.523 1.00 0.00 C ATOM 865 C ASP A 58 13.405 3.652 -1.093 1.00 0.00 C ATOM 866 O ASP A 58 13.594 2.500 -0.706 1.00 0.00 O ATOM 867 CB ASP A 58 14.137 4.406 -3.333 1.00 0.00 C ATOM 868 CG ASP A 58 15.351 3.474 -3.307 1.00 0.00 C ATOM 869 OD1 ASP A 58 15.264 2.447 -2.598 1.00 0.00 O ATOM 870 OD2 ASP A 58 16.338 3.809 -3.994 1.00 0.00 O ATOM 0 H ASP A 58 12.102 5.784 -3.004 1.00 0.00 H new ATOM 0 HA ASP A 58 12.528 3.019 -2.981 1.00 0.00 H new ATOM 0 HB2 ASP A 58 13.827 4.545 -4.369 1.00 0.00 H new ATOM 0 HB3 ASP A 58 14.440 5.383 -2.957 1.00 0.00 H new ATOM 874 N LYS A 59 13.580 4.733 -0.347 1.00 0.00 N ATOM 875 CA LYS A 59 14.026 4.627 1.032 1.00 0.00 C ATOM 876 C LYS A 59 12.913 4.001 1.877 1.00 0.00 C ATOM 877 O LYS A 59 13.158 3.066 2.636 1.00 0.00 O ATOM 878 CB LYS A 59 14.500 5.987 1.549 1.00 0.00 C ATOM 879 CG LYS A 59 15.040 5.872 2.976 1.00 0.00 C ATOM 880 CD LYS A 59 13.898 5.807 3.991 1.00 0.00 C ATOM 881 CE LYS A 59 14.344 6.339 5.353 1.00 0.00 C ATOM 882 NZ LYS A 59 14.554 7.803 5.296 1.00 0.00 N ATOM 0 H LYS A 59 13.421 5.687 -0.672 1.00 0.00 H new ATOM 0 HA LYS A 59 14.890 3.967 1.103 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.277 6.379 0.893 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.674 6.698 1.525 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.660 4.980 3.063 1.00 0.00 H new ATOM 0 HG3 LYS A 59 15.679 6.727 3.197 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.051 6.390 3.629 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.556 4.777 4.093 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.592 6.103 6.106 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.267 5.845 5.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.454 8.205 6.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 15.508 8.003 4.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.848 8.231 4.664 1.00 0.00 H new ATOM 892 N PHE A 60 11.715 4.545 1.715 1.00 0.00 N ATOM 893 CA PHE A 60 10.565 4.052 2.453 1.00 0.00 C ATOM 894 C PHE A 60 10.275 2.590 2.105 1.00 0.00 C ATOM 895 O PHE A 60 9.786 1.834 2.942 1.00 0.00 O ATOM 896 CB PHE A 60 9.369 4.909 2.039 1.00 0.00 C ATOM 897 CG PHE A 60 8.632 5.558 3.213 1.00 0.00 C ATOM 898 CD1 PHE A 60 7.809 4.811 3.997 1.00 0.00 C ATOM 899 CD2 PHE A 60 8.800 6.883 3.472 1.00 0.00 C ATOM 900 CE1 PHE A 60 7.126 5.413 5.086 1.00 0.00 C ATOM 901 CE2 PHE A 60 8.117 7.485 4.562 1.00 0.00 C ATOM 902 CZ PHE A 60 7.295 6.738 5.346 1.00 0.00 C ATOM 0 H PHE A 60 11.517 5.321 1.084 1.00 0.00 H new ATOM 0 HA PHE A 60 10.757 4.111 3.524 1.00 0.00 H new ATOM 0 HB2 PHE A 60 9.713 5.691 1.362 1.00 0.00 H new ATOM 0 HB3 PHE A 60 8.667 4.290 1.481 1.00 0.00 H new ATOM 0 HD1 PHE A 60 7.675 3.759 3.791 1.00 0.00 H new ATOM 0 HD2 PHE A 60 9.452 7.477 2.849 1.00 0.00 H new ATOM 0 HE1 PHE A 60 6.472 4.820 5.708 1.00 0.00 H new ATOM 0 HE2 PHE A 60 8.251 8.537 4.768 1.00 0.00 H new ATOM 0 HZ PHE A 60 6.776 7.196 6.175 1.00 0.00 H new ATOM 911 N ASP A 61 10.590 2.236 0.868 1.00 0.00 N ATOM 912 CA ASP A 61 10.370 0.878 0.398 1.00 0.00 C ATOM 913 C ASP A 61 11.134 -0.096 1.296 1.00 0.00 C ATOM 914 O ASP A 61 10.625 -1.164 1.635 1.00 0.00 O ATOM 915 CB ASP A 61 10.880 0.701 -1.033 1.00 0.00 C ATOM 916 CG ASP A 61 10.792 -0.725 -1.579 1.00 0.00 C ATOM 917 OD1 ASP A 61 9.684 -1.096 -2.021 1.00 0.00 O ATOM 918 OD2 ASP A 61 11.835 -1.413 -1.542 1.00 0.00 O ATOM 0 H ASP A 61 10.996 2.866 0.176 1.00 0.00 H new ATOM 0 HA ASP A 61 9.298 0.680 0.425 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.312 1.361 -1.689 1.00 0.00 H new ATOM 0 HB3 ASP A 61 11.919 1.027 -1.075 1.00 0.00 H new ATOM 922 N ALA A 62 12.344 0.305 1.656 1.00 0.00 N ATOM 923 CA ALA A 62 13.183 -0.520 2.509 1.00 0.00 C ATOM 924 C ALA A 62 12.678 -0.435 3.951 1.00 0.00 C ATOM 925 O ALA A 62 12.590 -1.449 4.643 1.00 0.00 O ATOM 926 CB ALA A 62 14.641 -0.075 2.376 1.00 0.00 C ATOM 0 H ALA A 62 12.764 1.190 1.373 1.00 0.00 H new ATOM 0 HA ALA A 62 13.131 -1.565 2.202 1.00 0.00 H new ATOM 0 HB1 ALA A 62 15.270 -0.694 3.016 1.00 0.00 H new ATOM 0 HB2 ALA A 62 14.961 -0.182 1.340 1.00 0.00 H new ATOM 0 HB3 ALA A 62 14.732 0.968 2.678 1.00 0.00 H new ATOM 932 N GLU A 63 12.357 0.782 4.361 1.00 0.00 N ATOM 933 CA GLU A 63 11.861 1.012 5.708 1.00 0.00 C ATOM 934 C GLU A 63 10.551 0.254 5.928 1.00 0.00 C ATOM 935 O GLU A 63 10.273 -0.202 7.036 1.00 0.00 O ATOM 936 CB GLU A 63 11.682 2.508 5.978 1.00 0.00 C ATOM 937 CG GLU A 63 12.875 3.072 6.752 1.00 0.00 C ATOM 938 CD GLU A 63 12.463 4.285 7.587 1.00 0.00 C ATOM 939 OE1 GLU A 63 11.505 4.969 7.162 1.00 0.00 O ATOM 940 OE2 GLU A 63 13.114 4.504 8.631 1.00 0.00 O ATOM 0 H GLU A 63 12.430 1.620 3.785 1.00 0.00 H new ATOM 0 HA GLU A 63 12.599 0.634 6.416 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.572 3.041 5.034 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.766 2.672 6.545 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.288 2.301 7.403 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.663 3.357 6.055 1.00 0.00 H new ATOM 945 N ILE A 64 9.781 0.143 4.856 1.00 0.00 N ATOM 946 CA ILE A 64 8.506 -0.552 4.919 1.00 0.00 C ATOM 947 C ILE A 64 8.726 -2.037 4.619 1.00 0.00 C ATOM 948 O ILE A 64 7.970 -2.886 5.089 1.00 0.00 O ATOM 949 CB ILE A 64 7.484 0.118 3.997 1.00 0.00 C ATOM 950 CG1 ILE A 64 6.797 1.288 4.701 1.00 0.00 C ATOM 951 CG2 ILE A 64 6.478 -0.902 3.463 1.00 0.00 C ATOM 952 CD1 ILE A 64 5.508 0.833 5.391 1.00 0.00 C ATOM 0 H ILE A 64 10.015 0.523 3.939 1.00 0.00 H new ATOM 0 HA ILE A 64 8.085 -0.487 5.922 1.00 0.00 H new ATOM 0 HB ILE A 64 8.014 0.527 3.137 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.474 1.722 5.437 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.569 2.070 3.977 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.763 -0.401 2.811 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.005 -1.672 2.900 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.948 -1.361 4.297 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.039 1.685 5.884 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.824 0.422 4.649 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.742 0.069 6.132 1.00 0.00 H new ATOM 963 N CYS A 65 9.762 -2.303 3.838 1.00 0.00 N ATOM 964 CA CYS A 65 10.090 -3.670 3.470 1.00 0.00 C ATOM 965 C CYS A 65 10.777 -4.336 4.664 1.00 0.00 C ATOM 966 O CYS A 65 10.661 -5.546 4.855 1.00 0.00 O ATOM 967 CB CYS A 65 10.956 -3.725 2.210 1.00 0.00 C ATOM 968 SG CYS A 65 11.527 -5.439 1.916 1.00 0.00 S ATOM 0 H CYS A 65 10.386 -1.595 3.450 1.00 0.00 H new ATOM 0 HA CYS A 65 9.177 -4.213 3.227 1.00 0.00 H new ATOM 0 HB2 CYS A 65 10.386 -3.371 1.351 1.00 0.00 H new ATOM 0 HB3 CYS A 65 11.814 -3.061 2.319 1.00 0.00 H new ATOM 0 HG CYS A 65 11.275 -6.166 2.964 1.00 0.00 H new ATOM 973 N ILE A 66 11.478 -3.519 5.436 1.00 0.00 N ATOM 974 CA ILE A 66 12.183 -4.014 6.605 1.00 0.00 C ATOM 975 C ILE A 66 11.195 -4.741 7.521 1.00 0.00 C ATOM 976 O ILE A 66 11.424 -5.890 7.899 1.00 0.00 O ATOM 977 CB ILE A 66 12.940 -2.878 7.295 1.00 0.00 C ATOM 978 CG1 ILE A 66 14.422 -2.896 6.914 1.00 0.00 C ATOM 979 CG2 ILE A 66 12.738 -2.926 8.811 1.00 0.00 C ATOM 980 CD1 ILE A 66 14.597 -2.876 5.394 1.00 0.00 C ATOM 0 H ILE A 66 11.573 -2.516 5.274 1.00 0.00 H new ATOM 0 HA ILE A 66 12.942 -4.740 6.313 1.00 0.00 H new ATOM 0 HB ILE A 66 12.529 -1.931 6.945 1.00 0.00 H new ATOM 0 HG12 ILE A 66 14.925 -2.034 7.353 1.00 0.00 H new ATOM 0 HG13 ILE A 66 14.897 -3.786 7.327 1.00 0.00 H new ATOM 0 HG21 ILE A 66 13.287 -2.108 9.277 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.677 -2.828 9.040 1.00 0.00 H new ATOM 0 HG23 ILE A 66 13.106 -3.876 9.197 1.00 0.00 H new ATOM 0 HD11 ILE A 66 15.659 -2.889 5.150 1.00 0.00 H new ATOM 0 HD12 ILE A 66 14.114 -3.752 4.961 1.00 0.00 H new ATOM 0 HD13 ILE A 66 14.143 -1.973 4.987 1.00 0.00 H new ATOM 991 N PRO A 67 10.091 -4.024 7.860 1.00 0.00 N ATOM 992 CA PRO A 67 9.069 -4.588 8.725 1.00 0.00 C ATOM 993 C PRO A 67 8.216 -5.610 7.972 1.00 0.00 C ATOM 994 O PRO A 67 7.280 -6.178 8.533 1.00 0.00 O ATOM 995 CB PRO A 67 8.269 -3.394 9.218 1.00 0.00 C ATOM 996 CG PRO A 67 8.574 -2.260 8.253 1.00 0.00 C ATOM 997 CD PRO A 67 9.787 -2.662 7.430 1.00 0.00 C ATOM 0 HA PRO A 67 9.488 -5.144 9.564 1.00 0.00 H new ATOM 0 HB2 PRO A 67 7.202 -3.618 9.233 1.00 0.00 H new ATOM 0 HB3 PRO A 67 8.553 -3.127 10.236 1.00 0.00 H new ATOM 0 HG2 PRO A 67 7.719 -2.070 7.605 1.00 0.00 H new ATOM 0 HG3 PRO A 67 8.772 -1.337 8.799 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.572 -2.622 6.362 1.00 0.00 H new ATOM 0 HD3 PRO A 67 10.628 -1.993 7.611 1.00 0.00 H new ATOM 1002 N ASN A 68 8.571 -5.816 6.712 1.00 0.00 N ATOM 1003 CA ASN A 68 7.850 -6.761 5.876 1.00 0.00 C ATOM 1004 C ASN A 68 8.620 -8.081 5.821 1.00 0.00 C ATOM 1005 O ASN A 68 9.850 -8.084 5.810 1.00 0.00 O ATOM 1006 CB ASN A 68 7.709 -6.234 4.446 1.00 0.00 C ATOM 1007 CG ASN A 68 6.880 -4.949 4.412 1.00 0.00 C ATOM 1008 OD1 ASN A 68 6.238 -4.569 5.376 1.00 0.00 O ATOM 1009 ND2 ASN A 68 6.930 -4.304 3.251 1.00 0.00 N ATOM 0 H ASN A 68 9.349 -5.345 6.250 1.00 0.00 H new ATOM 0 HA ASN A 68 6.859 -6.904 6.307 1.00 0.00 H new ATOM 0 HB2 ASN A 68 8.697 -6.044 4.026 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.237 -6.992 3.821 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.410 -3.435 3.128 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.488 -4.678 2.483 1.00 0.00 H new ATOM 1015 N GLU A 69 7.867 -9.169 5.790 1.00 0.00 N ATOM 1016 CA GLU A 69 8.464 -10.492 5.737 1.00 0.00 C ATOM 1017 C GLU A 69 7.861 -11.301 4.586 1.00 0.00 C ATOM 1018 O GLU A 69 7.223 -12.327 4.812 1.00 0.00 O ATOM 1019 CB GLU A 69 8.293 -11.225 7.069 1.00 0.00 C ATOM 1020 CG GLU A 69 9.557 -11.110 7.925 1.00 0.00 C ATOM 1021 CD GLU A 69 9.964 -12.473 8.487 1.00 0.00 C ATOM 1022 OE1 GLU A 69 9.050 -13.198 8.936 1.00 0.00 O ATOM 1023 OE2 GLU A 69 11.180 -12.761 8.454 1.00 0.00 O ATOM 0 H GLU A 69 6.847 -9.162 5.801 1.00 0.00 H new ATOM 0 HA GLU A 69 9.533 -10.379 5.556 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.444 -10.809 7.611 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.069 -12.276 6.884 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.371 -10.702 7.325 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.384 -10.412 8.744 1.00 0.00 H new ATOM 1028 N GLY A 70 8.086 -10.807 3.378 1.00 0.00 N ATOM 1029 CA GLY A 70 7.574 -11.470 2.191 1.00 0.00 C ATOM 1030 C GLY A 70 7.776 -10.602 0.948 1.00 0.00 C ATOM 1031 O GLY A 70 8.623 -9.711 0.938 1.00 0.00 O ATOM 0 H GLY A 70 8.616 -9.955 3.195 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.080 -12.426 2.057 1.00 0.00 H new ATOM 0 HA3 GLY A 70 6.513 -11.686 2.320 1.00 0.00 H new ATOM 1035 N HIS A 71 6.981 -10.891 -0.073 1.00 0.00 N ATOM 1036 CA HIS A 71 7.061 -10.148 -1.319 1.00 0.00 C ATOM 1037 C HIS A 71 5.970 -9.076 -1.346 1.00 0.00 C ATOM 1038 O HIS A 71 4.893 -9.266 -0.785 1.00 0.00 O ATOM 1039 CB HIS A 71 6.994 -11.093 -2.520 1.00 0.00 C ATOM 1040 CG HIS A 71 8.121 -12.098 -2.575 1.00 0.00 C ATOM 1041 ND1 HIS A 71 8.166 -13.124 -3.502 1.00 0.00 N ATOM 1042 CD2 HIS A 71 9.242 -12.222 -1.807 1.00 0.00 C ATOM 1043 CE1 HIS A 71 9.267 -13.828 -3.293 1.00 0.00 C ATOM 1044 NE2 HIS A 71 9.933 -13.269 -2.241 1.00 0.00 N ATOM 0 H HIS A 71 6.278 -11.630 -0.062 1.00 0.00 H new ATOM 0 HA HIS A 71 8.023 -9.640 -1.384 1.00 0.00 H new ATOM 0 HB2 HIS A 71 6.045 -11.628 -2.496 1.00 0.00 H new ATOM 0 HB3 HIS A 71 7.003 -10.502 -3.436 1.00 0.00 H new ATOM 0 HD2 HIS A 71 9.520 -11.578 -0.986 1.00 0.00 H new ATOM 0 HE1 HIS A 71 9.583 -14.693 -3.856 1.00 0.00 H new ATOM 0 HE2 HIS A 71 10.816 -13.601 -1.852 1.00 0.00 H new ATOM 1051 N ILE A 72 6.288 -7.972 -2.006 1.00 0.00 N ATOM 1052 CA ILE A 72 5.347 -6.869 -2.116 1.00 0.00 C ATOM 1053 C ILE A 72 5.449 -6.255 -3.514 1.00 0.00 C ATOM 1054 O ILE A 72 6.519 -6.255 -4.120 1.00 0.00 O ATOM 1055 CB ILE A 72 5.569 -5.863 -0.985 1.00 0.00 C ATOM 1056 CG1 ILE A 72 6.552 -4.769 -1.408 1.00 0.00 C ATOM 1057 CG2 ILE A 72 6.014 -6.568 0.297 1.00 0.00 C ATOM 1058 CD1 ILE A 72 6.833 -3.806 -0.253 1.00 0.00 C ATOM 0 H ILE A 72 7.183 -7.817 -2.470 1.00 0.00 H new ATOM 0 HA ILE A 72 4.324 -7.227 -1.999 1.00 0.00 H new ATOM 0 HB ILE A 72 4.618 -5.376 -0.771 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.485 -5.223 -1.742 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.145 -4.217 -2.255 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.165 -5.830 1.085 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.247 -7.278 0.607 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.948 -7.100 0.115 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.534 -3.039 -0.581 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.902 -3.335 0.063 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.263 -4.357 0.584 1.00 0.00 H new ATOM 1069 N LYS A 73 4.320 -5.746 -3.984 1.00 0.00 N ATOM 1070 CA LYS A 73 4.268 -5.131 -5.299 1.00 0.00 C ATOM 1071 C LYS A 73 3.497 -3.813 -5.211 1.00 0.00 C ATOM 1072 O LYS A 73 2.609 -3.664 -4.373 1.00 0.00 O ATOM 1073 CB LYS A 73 3.694 -6.110 -6.327 1.00 0.00 C ATOM 1074 CG LYS A 73 2.182 -5.928 -6.473 1.00 0.00 C ATOM 1075 CD LYS A 73 1.476 -7.280 -6.598 1.00 0.00 C ATOM 1076 CE LYS A 73 0.375 -7.227 -7.658 1.00 0.00 C ATOM 1077 NZ LYS A 73 0.747 -8.042 -8.835 1.00 0.00 N ATOM 0 H LYS A 73 3.434 -5.747 -3.478 1.00 0.00 H new ATOM 0 HA LYS A 73 5.273 -4.891 -5.646 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.177 -5.955 -7.292 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.913 -7.133 -6.022 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.792 -5.389 -5.610 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.969 -5.320 -7.352 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.201 -8.050 -6.860 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.047 -7.560 -5.636 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.561 -7.593 -7.237 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.205 -6.194 -7.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.012 -7.994 -9.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.629 -7.675 -9.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.886 -9.030 -8.543 1.00 0.00 H new ATOM 1087 N TYR A 74 3.865 -2.889 -6.087 1.00 0.00 N ATOM 1088 CA TYR A 74 3.220 -1.588 -6.118 1.00 0.00 C ATOM 1089 C TYR A 74 3.006 -1.116 -7.558 1.00 0.00 C ATOM 1090 O TYR A 74 3.672 -1.592 -8.476 1.00 0.00 O ATOM 1091 CB TYR A 74 4.179 -0.625 -5.415 1.00 0.00 C ATOM 1092 CG TYR A 74 5.654 -0.867 -5.743 1.00 0.00 C ATOM 1093 CD1 TYR A 74 6.190 -0.375 -6.915 1.00 0.00 C ATOM 1094 CD2 TYR A 74 6.448 -1.575 -4.864 1.00 0.00 C ATOM 1095 CE1 TYR A 74 7.578 -0.603 -7.223 1.00 0.00 C ATOM 1096 CE2 TYR A 74 7.836 -1.803 -5.172 1.00 0.00 C ATOM 1097 CZ TYR A 74 8.333 -1.305 -6.337 1.00 0.00 C ATOM 1098 OH TYR A 74 9.644 -1.520 -6.627 1.00 0.00 O ATOM 0 H TYR A 74 4.602 -3.016 -6.781 1.00 0.00 H new ATOM 0 HA TYR A 74 2.244 -1.632 -5.635 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.919 0.397 -5.691 1.00 0.00 H new ATOM 0 HB3 TYR A 74 4.038 -0.710 -4.337 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.569 0.181 -7.601 1.00 0.00 H new ATOM 0 HD2 TYR A 74 6.029 -1.958 -3.945 1.00 0.00 H new ATOM 0 HE1 TYR A 74 8.010 -0.225 -8.138 1.00 0.00 H new ATOM 0 HE2 TYR A 74 8.468 -2.357 -4.494 1.00 0.00 H new ATOM 0 HH TYR A 74 10.059 -2.034 -5.903 1.00 0.00 H new ATOM 1107 N GLU A 75 2.074 -0.185 -7.709 1.00 0.00 N ATOM 1108 CA GLU A 75 1.763 0.356 -9.022 1.00 0.00 C ATOM 1109 C GLU A 75 1.645 1.879 -8.954 1.00 0.00 C ATOM 1110 O GLU A 75 0.746 2.406 -8.298 1.00 0.00 O ATOM 1111 CB GLU A 75 0.485 -0.269 -9.584 1.00 0.00 C ATOM 1112 CG GLU A 75 0.726 -0.850 -10.980 1.00 0.00 C ATOM 1113 CD GLU A 75 0.884 -2.371 -10.922 1.00 0.00 C ATOM 1114 OE1 GLU A 75 -0.160 -3.053 -10.994 1.00 0.00 O ATOM 1115 OE2 GLU A 75 2.046 -2.816 -10.807 1.00 0.00 O ATOM 0 H GLU A 75 1.525 0.208 -6.945 1.00 0.00 H new ATOM 0 HA GLU A 75 2.579 0.105 -9.700 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.136 -1.055 -8.915 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.302 0.484 -9.630 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.107 -0.592 -11.634 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.621 -0.404 -11.414 1.00 0.00 H new ATOM 1120 N ILE A 76 2.563 2.544 -9.639 1.00 0.00 N ATOM 1121 CA ILE A 76 2.572 3.997 -9.664 1.00 0.00 C ATOM 1122 C ILE A 76 2.420 4.477 -11.108 1.00 0.00 C ATOM 1123 O ILE A 76 3.330 4.317 -11.919 1.00 0.00 O ATOM 1124 CB ILE A 76 3.821 4.537 -8.964 1.00 0.00 C ATOM 1125 CG1 ILE A 76 3.859 4.102 -7.497 1.00 0.00 C ATOM 1126 CG2 ILE A 76 3.919 6.056 -9.114 1.00 0.00 C ATOM 1127 CD1 ILE A 76 4.677 5.083 -6.656 1.00 0.00 C ATOM 0 H ILE A 76 3.306 2.104 -10.181 1.00 0.00 H new ATOM 0 HA ILE A 76 1.725 4.394 -9.104 1.00 0.00 H new ATOM 0 HB ILE A 76 4.697 4.108 -9.450 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.844 4.041 -7.106 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.291 3.104 -7.421 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.815 6.415 -8.608 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.972 6.315 -10.172 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.040 6.523 -8.670 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.688 4.751 -5.618 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.698 5.124 -7.035 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.228 6.075 -6.715 1.00 0.00 H new ATOM 1138 N SER A 77 1.262 5.059 -11.386 1.00 0.00 N ATOM 1139 CA SER A 77 0.978 5.564 -12.718 1.00 0.00 C ATOM 1140 C SER A 77 1.324 7.053 -12.799 1.00 0.00 C ATOM 1141 O SER A 77 0.768 7.864 -12.060 1.00 0.00 O ATOM 1142 CB SER A 77 -0.488 5.341 -13.090 1.00 0.00 C ATOM 1143 OG SER A 77 -0.626 4.681 -14.347 1.00 0.00 O ATOM 0 H SER A 77 0.509 5.192 -10.710 1.00 0.00 H new ATOM 0 HA SER A 77 1.594 5.015 -13.430 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.973 4.748 -12.314 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.003 6.301 -13.126 1.00 0.00 H new ATOM 0 HG SER A 77 -1.577 4.555 -14.548 1.00 0.00 H new ATOM 1148 N SER A 78 2.244 7.364 -13.700 1.00 0.00 N ATOM 1149 CA SER A 78 2.671 8.741 -13.886 1.00 0.00 C ATOM 1150 C SER A 78 1.452 9.658 -13.998 1.00 0.00 C ATOM 1151 O SER A 78 1.537 10.849 -13.703 1.00 0.00 O ATOM 1152 CB SER A 78 3.555 8.880 -15.128 1.00 0.00 C ATOM 1153 OG SER A 78 4.488 7.808 -15.241 1.00 0.00 O ATOM 0 H SER A 78 2.705 6.688 -14.308 1.00 0.00 H new ATOM 0 HA SER A 78 3.260 9.036 -13.018 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.927 8.910 -16.019 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.094 9.827 -15.086 1.00 0.00 H new ATOM 0 HG SER A 78 5.032 7.932 -16.046 1.00 0.00 H new ATOM 1158 N ASP A 79 0.344 9.067 -14.423 1.00 0.00 N ATOM 1159 CA ASP A 79 -0.891 9.816 -14.578 1.00 0.00 C ATOM 1160 C ASP A 79 -1.261 10.462 -13.241 1.00 0.00 C ATOM 1161 O ASP A 79 -1.855 11.539 -13.212 1.00 0.00 O ATOM 1162 CB ASP A 79 -2.042 8.898 -14.994 1.00 0.00 C ATOM 1163 CG ASP A 79 -2.012 8.446 -16.456 1.00 0.00 C ATOM 1164 OD1 ASP A 79 -1.715 9.308 -17.310 1.00 0.00 O ATOM 1165 OD2 ASP A 79 -2.287 7.249 -16.683 1.00 0.00 O ATOM 0 H ASP A 79 0.276 8.078 -14.665 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.734 10.571 -15.349 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.031 8.014 -14.356 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.984 9.414 -14.808 1.00 0.00 H new ATOM 1169 N GLY A 80 -0.893 9.778 -12.169 1.00 0.00 N ATOM 1170 CA GLY A 80 -1.180 10.273 -10.832 1.00 0.00 C ATOM 1171 C GLY A 80 -2.035 9.273 -10.049 1.00 0.00 C ATOM 1172 O GLY A 80 -2.955 9.664 -9.333 1.00 0.00 O ATOM 0 H GLY A 80 -0.399 8.886 -12.197 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.247 10.454 -10.299 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.700 11.229 -10.898 1.00 0.00 H new ATOM 1176 N LEU A 81 -1.698 8.002 -10.212 1.00 0.00 N ATOM 1177 CA LEU A 81 -2.423 6.944 -9.529 1.00 0.00 C ATOM 1178 C LEU A 81 -1.424 5.985 -8.876 1.00 0.00 C ATOM 1179 O LEU A 81 -0.650 5.325 -9.567 1.00 0.00 O ATOM 1180 CB LEU A 81 -3.396 6.256 -10.489 1.00 0.00 C ATOM 1181 CG LEU A 81 -4.801 5.988 -9.943 1.00 0.00 C ATOM 1182 CD1 LEU A 81 -5.537 7.298 -9.661 1.00 0.00 C ATOM 1183 CD2 LEU A 81 -5.592 5.077 -10.885 1.00 0.00 C ATOM 0 H LEU A 81 -0.934 7.681 -10.806 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.037 7.358 -8.730 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.487 6.870 -11.385 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.960 5.306 -10.797 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.704 5.461 -8.994 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.532 7.080 -9.274 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.980 7.877 -8.924 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.624 7.872 -10.583 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.586 4.903 -10.473 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.682 5.553 -11.861 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.072 4.125 -10.992 1.00 0.00 H new ATOM 1194 N ILE A 82 -1.474 5.942 -7.553 1.00 0.00 N ATOM 1195 CA ILE A 82 -0.582 5.077 -6.799 1.00 0.00 C ATOM 1196 C ILE A 82 -1.405 4.003 -6.085 1.00 0.00 C ATOM 1197 O ILE A 82 -2.356 4.316 -5.372 1.00 0.00 O ATOM 1198 CB ILE A 82 0.299 5.903 -5.860 1.00 0.00 C ATOM 1199 CG1 ILE A 82 0.700 7.229 -6.510 1.00 0.00 C ATOM 1200 CG2 ILE A 82 1.515 5.098 -5.399 1.00 0.00 C ATOM 1201 CD1 ILE A 82 -0.283 8.341 -6.138 1.00 0.00 C ATOM 0 H ILE A 82 -2.118 6.492 -6.984 1.00 0.00 H new ATOM 0 HA ILE A 82 0.105 4.560 -7.469 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.282 6.144 -4.970 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.705 7.505 -6.191 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.730 7.113 -7.593 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.124 5.709 -4.733 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.181 4.206 -4.870 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.107 4.805 -6.266 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.025 9.273 -6.613 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.283 8.072 -6.480 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.293 8.471 -5.056 1.00 0.00 H new ATOM 1212 N VAL A 83 -1.007 2.757 -6.302 1.00 0.00 N ATOM 1213 CA VAL A 83 -1.697 1.635 -5.688 1.00 0.00 C ATOM 1214 C VAL A 83 -0.668 0.692 -5.061 1.00 0.00 C ATOM 1215 O VAL A 83 0.427 0.520 -5.592 1.00 0.00 O ATOM 1216 CB VAL A 83 -2.591 0.944 -6.720 1.00 0.00 C ATOM 1217 CG1 VAL A 83 -1.755 0.151 -7.727 1.00 0.00 C ATOM 1218 CG2 VAL A 83 -3.622 0.043 -6.035 1.00 0.00 C ATOM 0 H VAL A 83 -0.217 2.500 -6.894 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.353 1.979 -4.888 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.130 1.717 -7.267 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.415 -0.330 -8.449 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.077 0.826 -8.249 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.177 -0.609 -7.201 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.245 -0.436 -6.790 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.107 -0.720 -5.451 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.249 0.643 -5.375 1.00 0.00 H new ATOM 1228 N LEU A 84 -1.058 0.105 -3.939 1.00 0.00 N ATOM 1229 CA LEU A 84 -0.185 -0.816 -3.232 1.00 0.00 C ATOM 1230 C LEU A 84 -0.908 -2.150 -3.035 1.00 0.00 C ATOM 1231 O LEU A 84 -2.048 -2.181 -2.576 1.00 0.00 O ATOM 1232 CB LEU A 84 0.314 -0.189 -1.929 1.00 0.00 C ATOM 1233 CG LEU A 84 1.742 -0.547 -1.516 1.00 0.00 C ATOM 1234 CD1 LEU A 84 1.930 -2.065 -1.445 1.00 0.00 C ATOM 1235 CD2 LEU A 84 2.764 0.113 -2.445 1.00 0.00 C ATOM 0 H LEU A 84 -1.968 0.250 -3.502 1.00 0.00 H new ATOM 0 HA LEU A 84 0.708 -1.022 -3.822 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.245 0.895 -2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.360 -0.485 -1.125 1.00 0.00 H new ATOM 0 HG LEU A 84 1.915 -0.154 -0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.954 -2.291 -1.149 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.240 -2.483 -0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.730 -2.503 -2.423 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.771 -0.158 -2.129 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.600 -0.228 -3.467 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.649 1.196 -2.401 1.00 0.00 H new ATOM 1246 N MET A 85 -0.215 -3.222 -3.394 1.00 0.00 N ATOM 1247 CA MET A 85 -0.776 -4.555 -3.262 1.00 0.00 C ATOM 1248 C MET A 85 0.117 -5.444 -2.395 1.00 0.00 C ATOM 1249 O MET A 85 1.302 -5.606 -2.683 1.00 0.00 O ATOM 1250 CB MET A 85 -0.931 -5.182 -4.649 1.00 0.00 C ATOM 1251 CG MET A 85 -1.815 -4.317 -5.548 1.00 0.00 C ATOM 1252 SD MET A 85 -0.834 -3.586 -6.849 1.00 0.00 S ATOM 1253 CE MET A 85 -0.410 -2.032 -6.082 1.00 0.00 C ATOM 0 H MET A 85 0.730 -3.193 -3.776 1.00 0.00 H new ATOM 0 HA MET A 85 -1.750 -4.473 -2.779 1.00 0.00 H new ATOM 0 HB2 MET A 85 0.050 -5.305 -5.108 1.00 0.00 H new ATOM 0 HB3 MET A 85 -1.366 -6.177 -4.555 1.00 0.00 H new ATOM 0 HG2 MET A 85 -2.612 -4.923 -5.979 1.00 0.00 H new ATOM 0 HG3 MET A 85 -2.292 -3.535 -4.958 1.00 0.00 H new ATOM 0 HE1 MET A 85 -0.014 -1.351 -6.835 1.00 0.00 H new ATOM 0 HE2 MET A 85 -1.300 -1.595 -5.629 1.00 0.00 H new ATOM 0 HE3 MET A 85 0.343 -2.200 -5.312 1.00 0.00 H new ATOM 1261 N LEU A 86 -0.485 -5.996 -1.353 1.00 0.00 N ATOM 1262 CA LEU A 86 0.241 -6.864 -0.442 1.00 0.00 C ATOM 1263 C LEU A 86 -0.534 -8.172 -0.266 1.00 0.00 C ATOM 1264 O LEU A 86 -1.758 -8.194 -0.388 1.00 0.00 O ATOM 1265 CB LEU A 86 0.532 -6.140 0.873 1.00 0.00 C ATOM 1266 CG LEU A 86 0.967 -4.678 0.752 1.00 0.00 C ATOM 1267 CD1 LEU A 86 0.778 -3.937 2.077 1.00 0.00 C ATOM 1268 CD2 LEU A 86 2.404 -4.574 0.236 1.00 0.00 C ATOM 0 H LEU A 86 -1.468 -5.859 -1.119 1.00 0.00 H new ATOM 0 HA LEU A 86 1.215 -7.122 -0.857 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.363 -6.182 1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.312 -6.688 1.401 1.00 0.00 H new ATOM 0 HG LEU A 86 0.325 -4.191 0.018 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.095 -2.900 1.963 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.273 -3.966 2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.378 -4.416 2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.688 -3.524 0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.076 -5.082 0.927 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.473 -5.041 -0.746 1.00 0.00 H new ATOM 1279 N ASP A 87 0.212 -9.230 0.018 1.00 0.00 N ATOM 1280 CA ASP A 87 -0.390 -10.538 0.214 1.00 0.00 C ATOM 1281 C ASP A 87 -0.877 -10.659 1.661 1.00 0.00 C ATOM 1282 O ASP A 87 -0.586 -9.799 2.490 1.00 0.00 O ATOM 1283 CB ASP A 87 0.626 -11.656 -0.038 1.00 0.00 C ATOM 1284 CG ASP A 87 1.872 -11.232 -0.818 1.00 0.00 C ATOM 1285 OD1 ASP A 87 1.703 -10.862 -2.000 1.00 0.00 O ATOM 1286 OD2 ASP A 87 2.965 -11.287 -0.214 1.00 0.00 O ATOM 0 H ASP A 87 1.227 -9.208 0.117 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.217 -10.637 -0.489 1.00 0.00 H new ATOM 0 HB2 ASP A 87 0.939 -12.066 0.922 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.131 -12.461 -0.582 1.00 0.00 H new ATOM 1290 N LYS A 88 -1.609 -11.734 1.916 1.00 0.00 N ATOM 1291 CA LYS A 88 -2.137 -11.978 3.248 1.00 0.00 C ATOM 1292 C LYS A 88 -0.992 -12.373 4.182 1.00 0.00 C ATOM 1293 O LYS A 88 -0.982 -11.992 5.351 1.00 0.00 O ATOM 1294 CB LYS A 88 -3.269 -13.005 3.192 1.00 0.00 C ATOM 1295 CG LYS A 88 -3.968 -13.125 4.549 1.00 0.00 C ATOM 1296 CD LYS A 88 -5.377 -12.532 4.495 1.00 0.00 C ATOM 1297 CE LYS A 88 -6.062 -12.623 5.860 1.00 0.00 C ATOM 1298 NZ LYS A 88 -6.264 -14.037 6.247 1.00 0.00 N ATOM 0 H LYS A 88 -1.849 -12.444 1.224 1.00 0.00 H new ATOM 0 HA LYS A 88 -2.580 -11.070 3.656 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.992 -12.713 2.431 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.870 -13.976 2.897 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.022 -14.173 4.843 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.382 -12.610 5.311 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.325 -11.490 4.179 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -5.970 -13.062 3.750 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -5.456 -12.117 6.612 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -7.022 -12.109 5.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -6.916 -14.086 7.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -6.667 -14.562 5.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -5.351 -14.458 6.513 1.00 0.00 H new ATOM 1308 N GLU A 89 -0.056 -13.133 3.632 1.00 0.00 N ATOM 1309 CA GLU A 89 1.090 -13.583 4.401 1.00 0.00 C ATOM 1310 C GLU A 89 1.931 -12.387 4.851 1.00 0.00 C ATOM 1311 O GLU A 89 2.807 -12.524 5.701 1.00 0.00 O ATOM 1312 CB GLU A 89 1.933 -14.576 3.598 1.00 0.00 C ATOM 1313 CG GLU A 89 2.349 -13.979 2.252 1.00 0.00 C ATOM 1314 CD GLU A 89 1.404 -14.431 1.137 1.00 0.00 C ATOM 1315 OE1 GLU A 89 0.179 -14.414 1.390 1.00 0.00 O ATOM 1316 OE2 GLU A 89 1.926 -14.784 0.059 1.00 0.00 O ATOM 0 H GLU A 89 -0.069 -13.448 2.662 1.00 0.00 H new ATOM 0 HA GLU A 89 0.727 -14.100 5.289 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.821 -14.850 4.168 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.365 -15.492 3.434 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.347 -12.891 2.316 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.369 -14.283 2.015 1.00 0.00 H new ATOM 1321 N ILE A 90 1.634 -11.239 4.258 1.00 0.00 N ATOM 1322 CA ILE A 90 2.352 -10.019 4.586 1.00 0.00 C ATOM 1323 C ILE A 90 1.349 -8.925 4.953 1.00 0.00 C ATOM 1324 O ILE A 90 1.610 -7.742 4.740 1.00 0.00 O ATOM 1325 CB ILE A 90 3.297 -9.631 3.446 1.00 0.00 C ATOM 1326 CG1 ILE A 90 2.519 -9.039 2.268 1.00 0.00 C ATOM 1327 CG2 ILE A 90 4.161 -10.820 3.022 1.00 0.00 C ATOM 1328 CD1 ILE A 90 3.470 -8.463 1.217 1.00 0.00 C ATOM 0 H ILE A 90 0.906 -11.129 3.552 1.00 0.00 H new ATOM 0 HA ILE A 90 2.988 -10.173 5.458 1.00 0.00 H new ATOM 0 HB ILE A 90 3.972 -8.856 3.809 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.895 -9.810 1.816 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.850 -8.257 2.626 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.823 -10.518 2.211 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.757 -11.158 3.870 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.519 -11.633 2.683 1.00 0.00 H new ATOM 0 HD11 ILE A 90 2.892 -8.049 0.391 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.075 -7.676 1.667 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.121 -9.253 0.844 1.00 0.00 H new ATOM 1339 N GLU A 91 0.222 -9.358 5.499 1.00 0.00 N ATOM 1340 CA GLU A 91 -0.822 -8.430 5.897 1.00 0.00 C ATOM 1341 C GLU A 91 -0.248 -7.345 6.811 1.00 0.00 C ATOM 1342 O GLU A 91 -0.793 -6.246 6.896 1.00 0.00 O ATOM 1343 CB GLU A 91 -1.979 -9.164 6.578 1.00 0.00 C ATOM 1344 CG GLU A 91 -3.138 -8.210 6.871 1.00 0.00 C ATOM 1345 CD GLU A 91 -3.998 -8.729 8.025 1.00 0.00 C ATOM 1346 OE1 GLU A 91 -3.397 -9.110 9.053 1.00 0.00 O ATOM 1347 OE2 GLU A 91 -5.235 -8.734 7.853 1.00 0.00 O ATOM 0 H GLU A 91 0.009 -10.340 5.675 1.00 0.00 H new ATOM 0 HA GLU A 91 -1.216 -7.952 5.000 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.325 -9.976 5.939 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.631 -9.615 7.507 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.747 -7.223 7.119 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -3.753 -8.094 5.978 1.00 0.00 H new ATOM 1352 N GLU A 92 0.847 -7.693 7.473 1.00 0.00 N ATOM 1353 CA GLU A 92 1.501 -6.764 8.380 1.00 0.00 C ATOM 1354 C GLU A 92 1.852 -5.467 7.647 1.00 0.00 C ATOM 1355 O GLU A 92 1.592 -4.376 8.150 1.00 0.00 O ATOM 1356 CB GLU A 92 2.745 -7.394 9.006 1.00 0.00 C ATOM 1357 CG GLU A 92 3.759 -7.792 7.932 1.00 0.00 C ATOM 1358 CD GLU A 92 4.727 -8.854 8.459 1.00 0.00 C ATOM 1359 OE1 GLU A 92 4.311 -10.032 8.497 1.00 0.00 O ATOM 1360 OE2 GLU A 92 5.861 -8.464 8.811 1.00 0.00 O ATOM 0 H GLU A 92 1.297 -8.605 7.399 1.00 0.00 H new ATOM 0 HA GLU A 92 0.809 -6.526 9.188 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.203 -6.690 9.700 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.460 -8.272 9.585 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.235 -8.175 7.056 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.318 -6.913 7.610 1.00 0.00 H new ATOM 1365 N VAL A 93 2.439 -5.630 6.470 1.00 0.00 N ATOM 1366 CA VAL A 93 2.828 -4.487 5.664 1.00 0.00 C ATOM 1367 C VAL A 93 1.587 -3.660 5.324 1.00 0.00 C ATOM 1368 O VAL A 93 1.659 -2.437 5.221 1.00 0.00 O ATOM 1369 CB VAL A 93 3.592 -4.957 4.422 1.00 0.00 C ATOM 1370 CG1 VAL A 93 2.692 -5.793 3.510 1.00 0.00 C ATOM 1371 CG2 VAL A 93 4.190 -3.771 3.665 1.00 0.00 C ATOM 0 H VAL A 93 2.654 -6.537 6.056 1.00 0.00 H new ATOM 0 HA VAL A 93 3.506 -3.841 6.222 1.00 0.00 H new ATOM 0 HB VAL A 93 4.414 -5.591 4.754 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.258 -6.114 2.636 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.336 -6.668 4.053 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.840 -5.193 3.190 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.727 -4.132 2.788 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.391 -3.100 3.350 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.879 -3.234 4.316 1.00 0.00 H new ATOM 1381 N VAL A 94 0.475 -4.364 5.159 1.00 0.00 N ATOM 1382 CA VAL A 94 -0.781 -3.710 4.832 1.00 0.00 C ATOM 1383 C VAL A 94 -1.069 -2.620 5.866 1.00 0.00 C ATOM 1384 O VAL A 94 -1.367 -1.481 5.506 1.00 0.00 O ATOM 1385 CB VAL A 94 -1.900 -4.749 4.732 1.00 0.00 C ATOM 1386 CG1 VAL A 94 -2.917 -4.570 5.862 1.00 0.00 C ATOM 1387 CG2 VAL A 94 -2.584 -4.689 3.365 1.00 0.00 C ATOM 0 H VAL A 94 0.418 -5.379 5.246 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.717 -3.225 3.858 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.450 -5.736 4.838 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.702 -5.321 5.768 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.417 -4.687 6.823 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.358 -3.575 5.801 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.375 -5.438 3.321 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.013 -3.698 3.216 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -1.852 -4.888 2.583 1.00 0.00 H new ATOM 1397 N GLU A 95 -0.968 -3.005 7.130 1.00 0.00 N ATOM 1398 CA GLU A 95 -1.213 -2.074 8.218 1.00 0.00 C ATOM 1399 C GLU A 95 -0.071 -1.061 8.316 1.00 0.00 C ATOM 1400 O GLU A 95 -0.297 0.105 8.635 1.00 0.00 O ATOM 1401 CB GLU A 95 -1.404 -2.816 9.541 1.00 0.00 C ATOM 1402 CG GLU A 95 -2.134 -4.143 9.326 1.00 0.00 C ATOM 1403 CD GLU A 95 -2.765 -4.640 10.629 1.00 0.00 C ATOM 1404 OE1 GLU A 95 -2.058 -4.582 11.659 1.00 0.00 O ATOM 1405 OE2 GLU A 95 -3.937 -5.066 10.566 1.00 0.00 O ATOM 0 H GLU A 95 -0.720 -3.949 7.425 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.135 -1.533 8.007 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.433 -3.001 10.001 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.971 -2.193 10.233 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.907 -4.018 8.568 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.435 -4.889 8.948 1.00 0.00 H new ATOM 1410 N LYS A 96 1.131 -1.543 8.037 1.00 0.00 N ATOM 1411 CA LYS A 96 2.309 -0.694 8.091 1.00 0.00 C ATOM 1412 C LYS A 96 2.256 0.317 6.942 1.00 0.00 C ATOM 1413 O LYS A 96 2.795 1.415 7.053 1.00 0.00 O ATOM 1414 CB LYS A 96 3.582 -1.543 8.104 1.00 0.00 C ATOM 1415 CG LYS A 96 3.457 -2.700 9.098 1.00 0.00 C ATOM 1416 CD LYS A 96 4.483 -2.567 10.226 1.00 0.00 C ATOM 1417 CE LYS A 96 4.776 -3.926 10.863 1.00 0.00 C ATOM 1418 NZ LYS A 96 4.239 -3.980 12.241 1.00 0.00 N ATOM 0 H LYS A 96 1.315 -2.511 7.773 1.00 0.00 H new ATOM 0 HA LYS A 96 2.325 -0.123 9.019 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.772 -1.936 7.105 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.436 -0.921 8.370 1.00 0.00 H new ATOM 0 HG2 LYS A 96 2.451 -2.717 9.517 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.602 -3.647 8.579 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.406 -2.138 9.835 1.00 0.00 H new ATOM 0 HD3 LYS A 96 4.108 -1.879 10.984 1.00 0.00 H new ATOM 0 HE2 LYS A 96 4.331 -4.719 10.262 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.851 -4.103 10.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.447 -4.910 12.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 4.682 -3.235 12.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 3.210 -3.833 12.218 1.00 0.00 H new ATOM 1428 N VAL A 97 1.602 -0.094 5.866 1.00 0.00 N ATOM 1429 CA VAL A 97 1.472 0.761 4.697 1.00 0.00 C ATOM 1430 C VAL A 97 0.431 1.845 4.979 1.00 0.00 C ATOM 1431 O VAL A 97 0.655 3.019 4.684 1.00 0.00 O ATOM 1432 CB VAL A 97 1.137 -0.083 3.465 1.00 0.00 C ATOM 1433 CG1 VAL A 97 0.349 0.733 2.440 1.00 0.00 C ATOM 1434 CG2 VAL A 97 2.406 -0.668 2.843 1.00 0.00 C ATOM 0 H VAL A 97 1.156 -1.007 5.778 1.00 0.00 H new ATOM 0 HA VAL A 97 2.416 1.263 4.483 1.00 0.00 H new ATOM 0 HB VAL A 97 0.507 -0.913 3.786 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.124 0.110 1.574 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.581 1.080 2.889 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.942 1.591 2.125 1.00 0.00 H new ATOM 0 HG21 VAL A 97 2.142 -1.264 1.969 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.071 0.142 2.542 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.911 -1.300 3.573 1.00 0.00 H new ATOM 1444 N LYS A 98 -0.686 1.417 5.548 1.00 0.00 N ATOM 1445 CA LYS A 98 -1.762 2.337 5.872 1.00 0.00 C ATOM 1446 C LYS A 98 -1.237 3.421 6.814 1.00 0.00 C ATOM 1447 O LYS A 98 -1.481 4.608 6.599 1.00 0.00 O ATOM 1448 CB LYS A 98 -2.969 1.576 6.425 1.00 0.00 C ATOM 1449 CG LYS A 98 -3.938 1.192 5.303 1.00 0.00 C ATOM 1450 CD LYS A 98 -5.260 0.677 5.873 1.00 0.00 C ATOM 1451 CE LYS A 98 -6.082 1.821 6.472 1.00 0.00 C ATOM 1452 NZ LYS A 98 -6.545 2.740 5.409 1.00 0.00 N ATOM 0 H LYS A 98 -0.869 0.444 5.793 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.115 2.840 4.972 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.631 0.678 6.942 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.485 2.192 7.161 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.125 2.057 4.667 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.486 0.425 4.674 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.833 0.186 5.086 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.062 -0.073 6.639 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.939 1.417 7.010 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -5.480 2.368 7.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -6.064 3.657 5.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -6.325 2.333 4.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -7.572 2.878 5.492 1.00 0.00 H new ATOM 1462 N LYS A 99 -0.521 2.977 7.836 1.00 0.00 N ATOM 1463 CA LYS A 99 0.043 3.893 8.812 1.00 0.00 C ATOM 1464 C LYS A 99 1.148 4.719 8.149 1.00 0.00 C ATOM 1465 O LYS A 99 1.320 5.896 8.461 1.00 0.00 O ATOM 1466 CB LYS A 99 0.505 3.134 10.056 1.00 0.00 C ATOM 1467 CG LYS A 99 1.554 2.079 9.697 1.00 0.00 C ATOM 1468 CD LYS A 99 2.969 2.637 9.848 1.00 0.00 C ATOM 1469 CE LYS A 99 3.607 2.167 11.156 1.00 0.00 C ATOM 1470 NZ LYS A 99 3.037 2.904 12.306 1.00 0.00 N ATOM 0 H LYS A 99 -0.318 1.993 8.010 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.716 4.594 9.160 1.00 0.00 H new ATOM 0 HB2 LYS A 99 0.922 3.834 10.780 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.350 2.654 10.532 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.433 1.207 10.340 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.400 1.742 8.672 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.582 2.317 9.005 1.00 0.00 H new ATOM 0 HD3 LYS A 99 2.939 3.726 9.825 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.442 1.097 11.284 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.685 2.320 11.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 3.482 2.572 13.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.217 3.922 12.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.012 2.737 12.352 1.00 0.00 H new ATOM 1480 N PHE A 100 1.866 4.071 7.244 1.00 0.00 N ATOM 1481 CA PHE A 100 2.949 4.729 6.535 1.00 0.00 C ATOM 1482 C PHE A 100 2.422 5.886 5.683 1.00 0.00 C ATOM 1483 O PHE A 100 2.910 7.011 5.786 1.00 0.00 O ATOM 1484 CB PHE A 100 3.586 3.684 5.619 1.00 0.00 C ATOM 1485 CG PHE A 100 3.976 4.220 4.240 1.00 0.00 C ATOM 1486 CD1 PHE A 100 4.604 5.421 4.130 1.00 0.00 C ATOM 1487 CD2 PHE A 100 3.695 3.495 3.125 1.00 0.00 C ATOM 1488 CE1 PHE A 100 4.966 5.919 2.850 1.00 0.00 C ATOM 1489 CE2 PHE A 100 4.057 3.993 1.845 1.00 0.00 C ATOM 1490 CZ PHE A 100 4.686 5.194 1.735 1.00 0.00 C ATOM 0 H PHE A 100 1.718 3.095 6.985 1.00 0.00 H new ATOM 0 HA PHE A 100 3.667 5.135 7.247 1.00 0.00 H new ATOM 0 HB2 PHE A 100 4.475 3.282 6.106 1.00 0.00 H new ATOM 0 HB3 PHE A 100 2.890 2.855 5.492 1.00 0.00 H new ATOM 0 HD1 PHE A 100 4.828 5.996 5.016 1.00 0.00 H new ATOM 0 HD2 PHE A 100 3.197 2.541 3.212 1.00 0.00 H new ATOM 0 HE1 PHE A 100 5.464 6.874 2.763 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.833 3.418 0.959 1.00 0.00 H new ATOM 0 HZ PHE A 100 4.963 5.571 0.762 1.00 0.00 H new ATOM 1499 N VAL A 101 1.434 5.569 4.860 1.00 0.00 N ATOM 1500 CA VAL A 101 0.836 6.568 3.990 1.00 0.00 C ATOM 1501 C VAL A 101 0.293 7.719 4.838 1.00 0.00 C ATOM 1502 O VAL A 101 0.599 8.882 4.584 1.00 0.00 O ATOM 1503 CB VAL A 101 -0.234 5.920 3.109 1.00 0.00 C ATOM 1504 CG1 VAL A 101 -1.007 6.977 2.318 1.00 0.00 C ATOM 1505 CG2 VAL A 101 0.384 4.879 2.172 1.00 0.00 C ATOM 0 H VAL A 101 1.032 4.635 4.777 1.00 0.00 H new ATOM 0 HA VAL A 101 1.585 6.985 3.317 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.940 5.407 3.762 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.761 6.490 1.700 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.494 7.665 3.009 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.318 7.530 1.680 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.398 4.433 1.557 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.121 5.360 1.529 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.869 4.101 2.762 1.00 0.00 H new ATOM 1515 N GLU A 102 -0.503 7.354 5.833 1.00 0.00 N ATOM 1516 CA GLU A 102 -1.092 8.342 6.722 1.00 0.00 C ATOM 1517 C GLU A 102 -0.008 9.000 7.576 1.00 0.00 C ATOM 1518 O GLU A 102 -0.194 10.108 8.076 1.00 0.00 O ATOM 1519 CB GLU A 102 -2.175 7.713 7.600 1.00 0.00 C ATOM 1520 CG GLU A 102 -1.568 7.091 8.859 1.00 0.00 C ATOM 1521 CD GLU A 102 -2.611 6.276 9.625 1.00 0.00 C ATOM 1522 OE1 GLU A 102 -3.193 5.364 8.999 1.00 0.00 O ATOM 1523 OE2 GLU A 102 -2.804 6.582 10.823 1.00 0.00 O ATOM 0 H GLU A 102 -0.754 6.388 6.043 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.566 9.113 6.114 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.906 8.471 7.881 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.709 6.950 7.034 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.730 6.450 8.585 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.171 7.877 9.502 1.00 0.00 H new ATOM 1528 N GLU A 103 1.102 8.291 7.717 1.00 0.00 N ATOM 1529 CA GLU A 103 2.217 8.793 8.502 1.00 0.00 C ATOM 1530 C GLU A 103 2.900 9.954 7.773 1.00 0.00 C ATOM 1531 O GLU A 103 3.296 10.936 8.398 1.00 0.00 O ATOM 1532 CB GLU A 103 3.216 7.678 8.813 1.00 0.00 C ATOM 1533 CG GLU A 103 2.904 7.021 10.159 1.00 0.00 C ATOM 1534 CD GLU A 103 3.630 7.737 11.300 1.00 0.00 C ATOM 1535 OE1 GLU A 103 3.217 8.876 11.608 1.00 0.00 O ATOM 1536 OE2 GLU A 103 4.581 7.130 11.838 1.00 0.00 O ATOM 0 H GLU A 103 1.253 7.372 7.301 1.00 0.00 H new ATOM 0 HA GLU A 103 1.829 9.163 9.451 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.187 6.928 8.023 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.227 8.085 8.829 1.00 0.00 H new ATOM 0 HG2 GLU A 103 1.829 7.042 10.337 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.203 5.973 10.134 1.00 0.00 H new ATOM 1541 N ASN A 104 3.014 9.801 6.462 1.00 0.00 N ATOM 1542 CA ASN A 104 3.641 10.823 5.642 1.00 0.00 C ATOM 1543 C ASN A 104 2.640 11.952 5.388 1.00 0.00 C ATOM 1544 O ASN A 104 3.027 13.111 5.252 1.00 0.00 O ATOM 1545 CB ASN A 104 4.067 10.256 4.285 1.00 0.00 C ATOM 1546 CG ASN A 104 5.471 10.732 3.909 1.00 0.00 C ATOM 1547 OD1 ASN A 104 5.676 11.435 2.933 1.00 0.00 O ATOM 1548 ND2 ASN A 104 6.424 10.310 4.735 1.00 0.00 N ATOM 0 H ASN A 104 2.683 8.985 5.948 1.00 0.00 H new ATOM 0 HA ASN A 104 4.520 11.189 6.173 1.00 0.00 H new ATOM 0 HB2 ASN A 104 4.045 9.167 4.319 1.00 0.00 H new ATOM 0 HB3 ASN A 104 3.357 10.565 3.518 1.00 0.00 H new ATOM 0 HD21 ASN A 104 7.396 10.573 4.570 1.00 0.00 H new ATOM 0 HD22 ASN A 104 6.183 9.723 5.534 1.00 0.00 H new ATOM 1554 N ASN A 105 1.371 11.573 5.334 1.00 0.00 N ATOM 1555 CA ASN A 105 0.310 12.539 5.099 1.00 0.00 C ATOM 1556 C ASN A 105 0.604 13.814 5.894 1.00 0.00 C ATOM 1557 O ASN A 105 0.272 14.914 5.455 1.00 0.00 O ATOM 1558 CB ASN A 105 -1.043 11.995 5.561 1.00 0.00 C ATOM 1559 CG ASN A 105 -1.875 11.514 4.371 1.00 0.00 C ATOM 1560 OD1 ASN A 105 -2.763 12.196 3.885 1.00 0.00 O ATOM 1561 ND2 ASN A 105 -1.539 10.305 3.931 1.00 0.00 N ATOM 0 H ASN A 105 1.054 10.610 5.449 1.00 0.00 H new ATOM 0 HA ASN A 105 0.269 12.743 4.029 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -0.889 11.172 6.258 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -1.587 12.771 6.099 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -2.035 9.894 3.140 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -0.785 9.789 4.384 1.00 0.00 H new TER 1567 ASN A 105