USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 864 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 SER OG : rot -110:sc= 0.0346 USER MOD Set 1.2: A 67 ASN : amide:sc= 0 X(o=0.035,f=0.035) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot 170:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00923 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -161:sc= 0 (180deg=-0.669) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -54:sc= 0.0451 USER MOD Single : A 25 LYS NZ :NH3+ 147:sc= -0.114 (180deg=-0.506) USER MOD Single : A 26 LYS NZ :NH3+ 158:sc= -0.0586 (180deg=-0.416) USER MOD Single : A 28 HIS : no HD1:sc= -0.226 X(o=-0.23,f=-0.053) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0275 USER MOD Single : A 32 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.0709) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN :FLIP amide:sc= -0.653 F(o=-2.2,f=-0.65) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.18 USER MOD Single : A 51 SER OG : rot 180:sc= -0.236 USER MOD Single : A 54 SER OG : rot -62:sc= 0.898 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.0793 X(o=-0.079,f=-0.28) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 66 THR OG1 : rot -47:sc= 0.816 USER MOD Single : A 78 SER OG : rot 180:sc= -0.517 USER MOD Single : A 79 LYS NZ :NH3+ -149:sc= -0.218 (180deg=-0.825) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 THR OG1 : rot -137:sc= 1.52 USER MOD Single : A 97 TYR OH : rot 30:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.858 -1.159 1.869 1.00 12.04 N ATOM 2 CA MET A 1 3.621 -1.048 0.632 1.00 43.11 C ATOM 3 C MET A 1 3.144 -2.070 -0.395 1.00 54.42 C ATOM 4 O MET A 1 2.896 -1.731 -1.552 1.00 70.11 O ATOM 5 CB MET A 1 5.113 -1.245 0.909 1.00 41.34 C ATOM 6 CG MET A 1 6.014 -0.611 -0.139 1.00 22.21 C ATOM 7 SD MET A 1 7.743 -0.559 0.372 1.00 73.14 S ATOM 8 CE MET A 1 8.346 -2.098 -0.318 1.00 31.21 C ATOM 0 H1 MET A 1 3.200 -0.454 2.553 1.00 12.04 H new ATOM 0 H2 MET A 1 1.851 -0.990 1.672 1.00 12.04 H new ATOM 0 H3 MET A 1 2.978 -2.113 2.266 1.00 12.04 H new ATOM 0 HA MET A 1 3.462 -0.049 0.225 1.00 43.11 H new ATOM 0 HB2 MET A 1 5.352 -0.823 1.885 1.00 41.34 H new ATOM 0 HB3 MET A 1 5.327 -2.313 0.962 1.00 41.34 H new ATOM 0 HG2 MET A 1 5.931 -1.171 -1.071 1.00 22.21 H new ATOM 0 HG3 MET A 1 5.669 0.402 -0.344 1.00 22.21 H new ATOM 0 HE1 MET A 1 9.405 -2.211 -0.086 1.00 31.21 H new ATOM 0 HE2 MET A 1 7.790 -2.932 0.111 1.00 31.21 H new ATOM 0 HE3 MET A 1 8.211 -2.090 -1.400 1.00 31.21 H new ATOM 18 N ALA A 2 3.017 -3.320 0.036 1.00 71.43 N ATOM 19 CA ALA A 2 2.567 -4.390 -0.846 1.00 64.33 C ATOM 20 C ALA A 2 1.341 -5.094 -0.275 1.00 1.11 C ATOM 21 O ALA A 2 0.937 -4.835 0.858 1.00 54.50 O ATOM 22 CB ALA A 2 3.691 -5.389 -1.079 1.00 71.51 C ATOM 0 H ALA A 2 3.219 -3.617 0.991 1.00 71.43 H new ATOM 0 HA ALA A 2 2.286 -3.946 -1.801 1.00 64.33 H new ATOM 0 HB1 ALA A 2 3.341 -6.183 -1.739 1.00 71.51 H new ATOM 0 HB2 ALA A 2 4.539 -4.882 -1.539 1.00 71.51 H new ATOM 0 HB3 ALA A 2 3.999 -5.819 -0.126 1.00 71.51 H new ATOM 28 N ALA A 3 0.753 -5.985 -1.067 1.00 2.22 N ATOM 29 CA ALA A 3 -0.426 -6.727 -0.639 1.00 13.42 C ATOM 30 C ALA A 3 -0.152 -8.226 -0.612 1.00 62.30 C ATOM 31 O ALA A 3 -0.864 -9.010 -1.241 1.00 64.21 O ATOM 32 CB ALA A 3 -1.603 -6.420 -1.553 1.00 12.41 C ATOM 0 H ALA A 3 1.074 -6.210 -2.009 1.00 2.22 H new ATOM 0 HA ALA A 3 -0.675 -6.412 0.374 1.00 13.42 H new ATOM 0 HB1 ALA A 3 -2.477 -6.981 -1.222 1.00 12.41 H new ATOM 0 HB2 ALA A 3 -1.822 -5.353 -1.518 1.00 12.41 H new ATOM 0 HB3 ALA A 3 -1.354 -6.706 -2.575 1.00 12.41 H new ATOM 38 N THR A 4 0.886 -8.621 0.120 1.00 53.41 N ATOM 39 CA THR A 4 1.255 -10.026 0.227 1.00 24.20 C ATOM 40 C THR A 4 0.779 -10.621 1.547 1.00 20.03 C ATOM 41 O THR A 4 1.357 -11.585 2.050 1.00 53.01 O ATOM 42 CB THR A 4 2.780 -10.217 0.112 1.00 55.45 C ATOM 43 OG1 THR A 4 3.441 -9.540 1.187 1.00 74.33 O ATOM 44 CG2 THR A 4 3.292 -9.686 -1.219 1.00 72.41 C ATOM 0 H THR A 4 1.486 -7.986 0.647 1.00 53.41 H new ATOM 0 HA THR A 4 0.767 -10.544 -0.599 1.00 24.20 H new ATOM 0 HB THR A 4 2.996 -11.284 0.168 1.00 55.45 H new ATOM 0 HG1 THR A 4 4.409 -9.668 1.108 1.00 74.33 H new ATOM 0 HG21 THR A 4 4.371 -9.831 -1.278 1.00 72.41 H new ATOM 0 HG22 THR A 4 2.808 -10.223 -2.035 1.00 72.41 H new ATOM 0 HG23 THR A 4 3.064 -8.623 -1.299 1.00 72.41 H new ATOM 52 N VAL A 5 -0.279 -10.041 2.105 1.00 40.20 N ATOM 53 CA VAL A 5 -0.834 -10.515 3.367 1.00 74.02 C ATOM 54 C VAL A 5 -2.246 -9.981 3.581 1.00 73.21 C ATOM 55 O VAL A 5 -2.518 -8.804 3.344 1.00 13.41 O ATOM 56 CB VAL A 5 0.046 -10.098 4.560 1.00 64.43 C ATOM 57 CG1 VAL A 5 0.031 -8.587 4.733 1.00 32.31 C ATOM 58 CG2 VAL A 5 -0.416 -10.794 5.831 1.00 25.12 C ATOM 0 H VAL A 5 -0.769 -9.242 1.703 1.00 40.20 H new ATOM 0 HA VAL A 5 -0.864 -11.603 3.310 1.00 74.02 H new ATOM 0 HB VAL A 5 1.072 -10.405 4.357 1.00 64.43 H new ATOM 0 HG11 VAL A 5 0.658 -8.312 5.581 1.00 32.31 H new ATOM 0 HG12 VAL A 5 0.414 -8.113 3.829 1.00 32.31 H new ATOM 0 HG13 VAL A 5 -0.990 -8.252 4.913 1.00 32.31 H new ATOM 0 HG21 VAL A 5 0.217 -10.488 6.664 1.00 25.12 H new ATOM 0 HG22 VAL A 5 -1.450 -10.520 6.041 1.00 25.12 H new ATOM 0 HG23 VAL A 5 -0.347 -11.874 5.700 1.00 25.12 H new ATOM 68 N CYS A 6 -3.141 -10.854 4.030 1.00 21.24 N ATOM 69 CA CYS A 6 -4.527 -10.471 4.277 1.00 44.14 C ATOM 70 C CYS A 6 -4.898 -10.683 5.741 1.00 65.54 C ATOM 71 O CYS A 6 -4.838 -11.802 6.252 1.00 21.20 O ATOM 72 CB CYS A 6 -5.467 -11.275 3.378 1.00 53.33 C ATOM 73 SG CYS A 6 -5.619 -10.623 1.698 1.00 13.20 S ATOM 0 H CYS A 6 -2.932 -11.832 4.231 1.00 21.24 H new ATOM 0 HA CYS A 6 -4.632 -9.411 4.045 1.00 44.14 H new ATOM 0 HB2 CYS A 6 -5.111 -12.304 3.326 1.00 53.33 H new ATOM 0 HB3 CYS A 6 -6.456 -11.303 3.836 1.00 53.33 H new ATOM 0 HG CYS A 6 -6.258 -11.479 0.956 1.00 13.20 H new ATOM 79 N THR A 7 -5.280 -9.601 6.412 1.00 25.52 N ATOM 80 CA THR A 7 -5.657 -9.668 7.818 1.00 33.31 C ATOM 81 C THR A 7 -7.160 -9.871 7.975 1.00 51.04 C ATOM 82 O THR A 7 -7.947 -9.421 7.141 1.00 65.02 O ATOM 83 CB THR A 7 -5.242 -8.391 8.573 1.00 63.51 C ATOM 84 OG1 THR A 7 -4.388 -7.591 7.748 1.00 52.42 O ATOM 85 CG2 THR A 7 -4.523 -8.738 9.868 1.00 34.23 C ATOM 0 H THR A 7 -5.336 -8.668 6.004 1.00 25.52 H new ATOM 0 HA THR A 7 -5.131 -10.521 8.246 1.00 33.31 H new ATOM 0 HB THR A 7 -6.144 -7.829 8.816 1.00 63.51 H new ATOM 0 HG1 THR A 7 -4.130 -6.780 8.234 1.00 52.42 H new ATOM 0 HG21 THR A 7 -4.240 -7.821 10.384 1.00 34.23 H new ATOM 0 HG22 THR A 7 -5.185 -9.323 10.506 1.00 34.23 H new ATOM 0 HG23 THR A 7 -3.629 -9.319 9.643 1.00 34.23 H new ATOM 93 N ILE A 8 -7.552 -10.550 9.048 1.00 52.45 N ATOM 94 CA ILE A 8 -8.962 -10.810 9.313 1.00 4.43 C ATOM 95 C ILE A 8 -9.348 -10.359 10.718 1.00 54.12 C ATOM 96 O ILE A 8 -8.571 -9.697 11.405 1.00 63.35 O ATOM 97 CB ILE A 8 -9.298 -12.304 9.155 1.00 21.21 C ATOM 98 CG1 ILE A 8 -8.018 -13.120 8.962 1.00 42.33 C ATOM 99 CG2 ILE A 8 -10.247 -12.513 7.984 1.00 10.54 C ATOM 100 CD1 ILE A 8 -7.441 -13.017 7.567 1.00 22.03 C ATOM 0 H ILE A 8 -6.914 -10.930 9.747 1.00 52.45 H new ATOM 0 HA ILE A 8 -9.532 -10.239 8.580 1.00 4.43 H new ATOM 0 HB ILE A 8 -9.792 -12.648 10.064 1.00 21.21 H new ATOM 0 HG12 ILE A 8 -7.271 -12.785 9.681 1.00 42.33 H new ATOM 0 HG13 ILE A 8 -8.227 -14.167 9.184 1.00 42.33 H new ATOM 0 HG21 ILE A 8 -10.475 -13.574 7.885 1.00 10.54 H new ATOM 0 HG22 ILE A 8 -11.169 -11.959 8.159 1.00 10.54 H new ATOM 0 HG23 ILE A 8 -9.778 -12.156 7.067 1.00 10.54 H new ATOM 0 HD11 ILE A 8 -6.535 -13.620 7.502 1.00 22.03 H new ATOM 0 HD12 ILE A 8 -8.171 -13.380 6.844 1.00 22.03 H new ATOM 0 HD13 ILE A 8 -7.200 -11.977 7.349 1.00 22.03 H new ATOM 112 N ALA A 9 -10.555 -10.724 11.139 1.00 50.41 N ATOM 113 CA ALA A 9 -11.044 -10.360 12.463 1.00 20.22 C ATOM 114 C ALA A 9 -9.979 -10.602 13.527 1.00 22.31 C ATOM 115 O ALA A 9 -9.708 -9.734 14.357 1.00 41.13 O ATOM 116 CB ALA A 9 -12.308 -11.141 12.792 1.00 62.13 C ATOM 0 H ALA A 9 -11.212 -11.271 10.582 1.00 50.41 H new ATOM 0 HA ALA A 9 -11.279 -9.296 12.456 1.00 20.22 H new ATOM 0 HB1 ALA A 9 -12.662 -10.859 13.784 1.00 62.13 H new ATOM 0 HB2 ALA A 9 -13.078 -10.915 12.054 1.00 62.13 H new ATOM 0 HB3 ALA A 9 -12.091 -12.209 12.774 1.00 62.13 H new ATOM 122 N ASP A 10 -9.379 -11.787 13.498 1.00 45.02 N ATOM 123 CA ASP A 10 -8.342 -12.143 14.460 1.00 72.10 C ATOM 124 C ASP A 10 -7.408 -13.204 13.885 1.00 15.23 C ATOM 125 O ASP A 10 -7.261 -14.287 14.451 1.00 53.13 O ATOM 126 CB ASP A 10 -8.973 -12.650 15.757 1.00 35.44 C ATOM 127 CG ASP A 10 -9.985 -11.676 16.329 1.00 71.34 C ATOM 128 OD1 ASP A 10 -9.580 -10.790 17.109 1.00 25.44 O ATOM 129 OD2 ASP A 10 -11.182 -11.800 15.995 1.00 35.44 O ATOM 0 H ASP A 10 -9.593 -12.517 12.819 1.00 45.02 H new ATOM 0 HA ASP A 10 -7.757 -11.248 14.675 1.00 72.10 H new ATOM 0 HB2 ASP A 10 -9.460 -13.607 15.571 1.00 35.44 H new ATOM 0 HB3 ASP A 10 -8.189 -12.829 16.493 1.00 35.44 H new ATOM 134 N MET A 11 -6.781 -12.885 12.758 1.00 11.41 N ATOM 135 CA MET A 11 -5.862 -13.811 12.107 1.00 4.41 C ATOM 136 C MET A 11 -5.067 -13.107 11.011 1.00 30.32 C ATOM 137 O MET A 11 -5.372 -11.974 10.639 1.00 45.42 O ATOM 138 CB MET A 11 -6.629 -14.995 11.517 1.00 55.34 C ATOM 139 CG MET A 11 -5.869 -16.309 11.589 1.00 51.12 C ATOM 140 SD MET A 11 -6.958 -17.731 11.797 1.00 0.10 S ATOM 141 CE MET A 11 -7.821 -17.729 10.228 1.00 54.22 C ATOM 0 H MET A 11 -6.892 -11.993 12.277 1.00 11.41 H new ATOM 0 HA MET A 11 -5.164 -14.179 12.859 1.00 4.41 H new ATOM 0 HB2 MET A 11 -7.576 -15.103 12.046 1.00 55.34 H new ATOM 0 HB3 MET A 11 -6.868 -14.780 10.476 1.00 55.34 H new ATOM 0 HG2 MET A 11 -5.283 -16.435 10.679 1.00 51.12 H new ATOM 0 HG3 MET A 11 -5.164 -16.272 12.420 1.00 51.12 H new ATOM 0 HE1 MET A 11 -8.533 -18.554 10.203 1.00 54.22 H new ATOM 0 HE2 MET A 11 -8.354 -16.786 10.107 1.00 54.22 H new ATOM 0 HE3 MET A 11 -7.102 -17.846 9.417 1.00 54.22 H new ATOM 151 N THR A 12 -4.046 -13.787 10.498 1.00 52.25 N ATOM 152 CA THR A 12 -3.207 -13.227 9.446 1.00 53.44 C ATOM 153 C THR A 12 -2.902 -14.266 8.373 1.00 34.33 C ATOM 154 O THR A 12 -2.080 -15.159 8.576 1.00 21.53 O ATOM 155 CB THR A 12 -1.881 -12.687 10.013 1.00 41.52 C ATOM 156 OG1 THR A 12 -2.143 -11.757 11.070 1.00 44.21 O ATOM 157 CG2 THR A 12 -1.064 -12.008 8.924 1.00 5.52 C ATOM 0 H THR A 12 -3.780 -14.726 10.794 1.00 52.25 H new ATOM 0 HA THR A 12 -3.766 -12.404 9.001 1.00 53.44 H new ATOM 0 HB THR A 12 -1.309 -13.528 10.404 1.00 41.52 H new ATOM 0 HG1 THR A 12 -1.295 -11.419 11.426 1.00 44.21 H new ATOM 0 HG21 THR A 12 -0.132 -11.634 9.348 1.00 5.52 H new ATOM 0 HG22 THR A 12 -0.842 -12.726 8.135 1.00 5.52 H new ATOM 0 HG23 THR A 12 -1.632 -11.176 8.508 1.00 5.52 H new ATOM 165 N VAL A 13 -3.570 -14.144 7.230 1.00 31.34 N ATOM 166 CA VAL A 13 -3.369 -15.073 6.125 1.00 61.04 C ATOM 167 C VAL A 13 -2.295 -14.566 5.169 1.00 5.44 C ATOM 168 O VAL A 13 -2.172 -13.362 4.940 1.00 64.33 O ATOM 169 CB VAL A 13 -4.674 -15.300 5.338 1.00 24.52 C ATOM 170 CG1 VAL A 13 -4.441 -16.265 4.185 1.00 11.02 C ATOM 171 CG2 VAL A 13 -5.769 -15.814 6.261 1.00 43.41 C ATOM 0 H VAL A 13 -4.255 -13.411 7.046 1.00 31.34 H new ATOM 0 HA VAL A 13 -3.047 -16.018 6.561 1.00 61.04 H new ATOM 0 HB VAL A 13 -4.998 -14.346 4.922 1.00 24.52 H new ATOM 0 HG11 VAL A 13 -5.374 -16.413 3.641 1.00 11.02 H new ATOM 0 HG12 VAL A 13 -3.689 -15.853 3.512 1.00 11.02 H new ATOM 0 HG13 VAL A 13 -4.093 -17.221 4.576 1.00 11.02 H new ATOM 0 HG21 VAL A 13 -6.684 -15.969 5.689 1.00 43.41 H new ATOM 0 HG22 VAL A 13 -5.456 -16.758 6.707 1.00 43.41 H new ATOM 0 HG23 VAL A 13 -5.953 -15.084 7.049 1.00 43.41 H new ATOM 181 N ASP A 14 -1.519 -15.491 4.615 1.00 50.20 N ATOM 182 CA ASP A 14 -0.455 -15.138 3.682 1.00 1.24 C ATOM 183 C ASP A 14 -0.764 -15.660 2.283 1.00 63.03 C ATOM 184 O ASP A 14 -0.957 -16.859 2.086 1.00 71.31 O ATOM 185 CB ASP A 14 0.883 -15.699 4.166 1.00 61.11 C ATOM 186 CG ASP A 14 1.958 -14.634 4.261 1.00 55.31 C ATOM 187 OD1 ASP A 14 2.023 -13.775 3.357 1.00 73.23 O ATOM 188 OD2 ASP A 14 2.734 -14.659 5.239 1.00 12.11 O ATOM 0 H ASP A 14 -1.607 -16.491 4.796 1.00 50.20 H new ATOM 0 HA ASP A 14 -0.389 -14.051 3.638 1.00 1.24 H new ATOM 0 HB2 ASP A 14 0.747 -16.162 5.143 1.00 61.11 H new ATOM 0 HB3 ASP A 14 1.212 -16.484 3.485 1.00 61.11 H new ATOM 193 N MET A 15 -0.809 -14.751 1.314 1.00 32.02 N ATOM 194 CA MET A 15 -1.095 -15.121 -0.067 1.00 45.44 C ATOM 195 C MET A 15 0.166 -15.615 -0.769 1.00 62.13 C ATOM 196 O MET A 15 0.097 -16.208 -1.846 1.00 43.43 O ATOM 197 CB MET A 15 -1.680 -13.928 -0.826 1.00 74.31 C ATOM 198 CG MET A 15 -0.649 -12.873 -1.190 1.00 24.00 C ATOM 199 SD MET A 15 -0.227 -12.889 -2.943 1.00 54.11 S ATOM 200 CE MET A 15 -0.756 -11.249 -3.433 1.00 73.43 C ATOM 0 H MET A 15 -0.651 -13.754 1.460 1.00 32.02 H new ATOM 0 HA MET A 15 -1.825 -15.930 -0.057 1.00 45.44 H new ATOM 0 HB2 MET A 15 -2.157 -14.287 -1.738 1.00 74.31 H new ATOM 0 HB3 MET A 15 -2.459 -13.468 -0.218 1.00 74.31 H new ATOM 0 HG2 MET A 15 -1.032 -11.888 -0.922 1.00 24.00 H new ATOM 0 HG3 MET A 15 0.254 -13.035 -0.601 1.00 24.00 H new ATOM 0 HE1 MET A 15 -0.881 -11.215 -4.515 1.00 73.43 H new ATOM 0 HE2 MET A 15 -1.705 -11.013 -2.951 1.00 73.43 H new ATOM 0 HE3 MET A 15 -0.005 -10.519 -3.132 1.00 73.43 H new ATOM 210 N VAL A 16 1.317 -15.368 -0.153 1.00 5.54 N ATOM 211 CA VAL A 16 2.594 -15.788 -0.718 1.00 73.42 C ATOM 212 C VAL A 16 3.172 -16.971 0.051 1.00 42.04 C ATOM 213 O VAL A 16 3.895 -17.795 -0.510 1.00 31.11 O ATOM 214 CB VAL A 16 3.617 -14.637 -0.713 1.00 72.03 C ATOM 215 CG1 VAL A 16 3.271 -13.611 -1.781 1.00 51.42 C ATOM 216 CG2 VAL A 16 3.681 -13.988 0.661 1.00 41.20 C ATOM 0 H VAL A 16 1.392 -14.878 0.739 1.00 5.54 H new ATOM 0 HA VAL A 16 2.401 -16.087 -1.748 1.00 73.42 H new ATOM 0 HB VAL A 16 4.601 -15.047 -0.942 1.00 72.03 H new ATOM 0 HG11 VAL A 16 4.005 -12.805 -1.763 1.00 51.42 H new ATOM 0 HG12 VAL A 16 3.281 -14.088 -2.761 1.00 51.42 H new ATOM 0 HG13 VAL A 16 2.279 -13.203 -1.586 1.00 51.42 H new ATOM 0 HG21 VAL A 16 4.409 -13.177 0.647 1.00 41.20 H new ATOM 0 HG22 VAL A 16 2.700 -13.591 0.922 1.00 41.20 H new ATOM 0 HG23 VAL A 16 3.980 -14.731 1.401 1.00 41.20 H new ATOM 226 N ARG A 17 2.849 -17.048 1.337 1.00 21.34 N ATOM 227 CA ARG A 17 3.337 -18.130 2.184 1.00 23.11 C ATOM 228 C ARG A 17 2.252 -19.180 2.405 1.00 40.22 C ATOM 229 O ARG A 17 2.539 -20.310 2.798 1.00 21.44 O ATOM 230 CB ARG A 17 3.810 -17.579 3.531 1.00 50.15 C ATOM 231 CG ARG A 17 4.732 -16.377 3.407 1.00 64.23 C ATOM 232 CD ARG A 17 5.598 -16.210 4.645 1.00 3.44 C ATOM 233 NE ARG A 17 6.760 -15.362 4.391 1.00 53.52 N ATOM 234 CZ ARG A 17 7.811 -15.750 3.678 1.00 50.24 C ATOM 235 NH1 ARG A 17 7.846 -16.966 3.151 1.00 43.02 N ATOM 236 NH2 ARG A 17 8.830 -14.921 3.490 1.00 53.52 N ATOM 0 H ARG A 17 2.251 -16.374 1.816 1.00 21.34 H new ATOM 0 HA ARG A 17 4.178 -18.603 1.677 1.00 23.11 H new ATOM 0 HB2 ARG A 17 2.940 -17.299 4.125 1.00 50.15 H new ATOM 0 HB3 ARG A 17 4.328 -18.369 4.076 1.00 50.15 H new ATOM 0 HG2 ARG A 17 5.368 -16.494 2.530 1.00 64.23 H new ATOM 0 HG3 ARG A 17 4.138 -15.476 3.253 1.00 64.23 H new ATOM 0 HD2 ARG A 17 5.002 -15.777 5.448 1.00 3.44 H new ATOM 0 HD3 ARG A 17 5.932 -17.189 4.988 1.00 3.44 H new ATOM 0 HE ARG A 17 6.764 -14.420 4.783 1.00 53.52 H new ATOM 0 HH11 ARG A 17 7.064 -17.606 3.293 1.00 43.02 H new ATOM 0 HH12 ARG A 17 8.654 -17.262 2.604 1.00 43.02 H new ATOM 0 HH21 ARG A 17 8.807 -13.984 3.893 1.00 53.52 H new ATOM 0 HH22 ARG A 17 9.637 -15.220 2.942 1.00 53.52 H new ATOM 250 N ARG A 18 1.005 -18.797 2.149 1.00 22.22 N ATOM 251 CA ARG A 18 -0.123 -19.704 2.322 1.00 61.44 C ATOM 252 C ARG A 18 -0.184 -20.230 3.753 1.00 52.21 C ATOM 253 O ARG A 18 -0.213 -21.440 3.982 1.00 42.44 O ATOM 254 CB ARG A 18 -0.018 -20.874 1.342 1.00 73.45 C ATOM 255 CG ARG A 18 -0.465 -20.529 -0.069 1.00 54.25 C ATOM 256 CD ARG A 18 0.682 -19.970 -0.896 1.00 51.51 C ATOM 257 NE ARG A 18 1.423 -21.022 -1.587 1.00 12.24 N ATOM 258 CZ ARG A 18 2.272 -20.791 -2.582 1.00 1.14 C ATOM 259 NH1 ARG A 18 2.487 -19.551 -3.000 1.00 20.31 N ATOM 260 NH2 ARG A 18 2.909 -21.801 -3.160 1.00 32.21 N ATOM 0 H ARG A 18 0.751 -17.865 1.821 1.00 22.22 H new ATOM 0 HA ARG A 18 -1.038 -19.148 2.118 1.00 61.44 H new ATOM 0 HB2 ARG A 18 1.015 -21.220 1.312 1.00 73.45 H new ATOM 0 HB3 ARG A 18 -0.621 -21.703 1.713 1.00 73.45 H new ATOM 0 HG2 ARG A 18 -0.864 -21.420 -0.554 1.00 54.25 H new ATOM 0 HG3 ARG A 18 -1.274 -19.800 -0.027 1.00 54.25 H new ATOM 0 HD2 ARG A 18 0.291 -19.263 -1.627 1.00 51.51 H new ATOM 0 HD3 ARG A 18 1.360 -19.416 -0.247 1.00 51.51 H new ATOM 0 HE ARG A 18 1.281 -21.987 -1.289 1.00 12.24 H new ATOM 0 HH11 ARG A 18 2.000 -18.772 -2.557 1.00 20.31 H new ATOM 0 HH12 ARG A 18 3.140 -19.376 -3.764 1.00 20.31 H new ATOM 0 HH21 ARG A 18 2.747 -22.756 -2.840 1.00 32.21 H new ATOM 0 HH22 ARG A 18 3.561 -21.623 -3.924 1.00 32.21 H new ATOM 274 N THR A 19 -0.204 -19.312 4.715 1.00 63.05 N ATOM 275 CA THR A 19 -0.260 -19.682 6.123 1.00 2.11 C ATOM 276 C THR A 19 -1.365 -18.922 6.847 1.00 33.44 C ATOM 277 O THR A 19 -2.009 -18.045 6.272 1.00 11.32 O ATOM 278 CB THR A 19 1.082 -19.410 6.829 1.00 31.02 C ATOM 279 OG1 THR A 19 1.260 -18.002 7.017 1.00 42.44 O ATOM 280 CG2 THR A 19 2.242 -19.970 6.020 1.00 23.04 C ATOM 0 H THR A 19 -0.182 -18.307 4.544 1.00 63.05 H new ATOM 0 HA THR A 19 -0.472 -20.750 6.161 1.00 2.11 H new ATOM 0 HB THR A 19 1.064 -19.906 7.800 1.00 31.02 H new ATOM 0 HG1 THR A 19 2.114 -17.838 7.468 1.00 42.44 H new ATOM 0 HG21 THR A 19 3.179 -19.766 6.538 1.00 23.04 H new ATOM 0 HG22 THR A 19 2.118 -21.047 5.904 1.00 23.04 H new ATOM 0 HG23 THR A 19 2.261 -19.499 5.037 1.00 23.04 H new ATOM 288 N VAL A 20 -1.581 -19.265 8.114 1.00 43.14 N ATOM 289 CA VAL A 20 -2.608 -18.614 8.918 1.00 41.53 C ATOM 290 C VAL A 20 -2.145 -18.432 10.359 1.00 61.31 C ATOM 291 O VAL A 20 -1.994 -19.404 11.100 1.00 63.34 O ATOM 292 CB VAL A 20 -3.921 -19.418 8.909 1.00 13.02 C ATOM 293 CG1 VAL A 20 -4.728 -19.110 7.657 1.00 14.13 C ATOM 294 CG2 VAL A 20 -3.634 -20.908 9.015 1.00 64.03 C ATOM 0 H VAL A 20 -1.058 -19.990 8.605 1.00 43.14 H new ATOM 0 HA VAL A 20 -2.787 -17.636 8.471 1.00 41.53 H new ATOM 0 HB VAL A 20 -4.513 -19.123 9.775 1.00 13.02 H new ATOM 0 HG11 VAL A 20 -5.652 -19.688 7.669 1.00 14.13 H new ATOM 0 HG12 VAL A 20 -4.965 -18.046 7.629 1.00 14.13 H new ATOM 0 HG13 VAL A 20 -4.146 -19.375 6.774 1.00 14.13 H new ATOM 0 HG21 VAL A 20 -4.573 -21.461 9.007 1.00 64.03 H new ATOM 0 HG22 VAL A 20 -3.021 -21.222 8.170 1.00 64.03 H new ATOM 0 HG23 VAL A 20 -3.101 -21.111 9.944 1.00 64.03 H new ATOM 304 N ILE A 21 -1.922 -17.182 10.750 1.00 20.31 N ATOM 305 CA ILE A 21 -1.478 -16.874 12.104 1.00 42.34 C ATOM 306 C ILE A 21 -2.618 -16.303 12.940 1.00 51.43 C ATOM 307 O ILE A 21 -3.154 -15.238 12.632 1.00 75.24 O ATOM 308 CB ILE A 21 -0.309 -15.871 12.098 1.00 64.14 C ATOM 309 CG1 ILE A 21 0.947 -16.522 11.514 1.00 60.11 C ATOM 310 CG2 ILE A 21 -0.041 -15.361 13.506 1.00 55.44 C ATOM 311 CD1 ILE A 21 0.964 -16.553 10.002 1.00 62.33 C ATOM 0 H ILE A 21 -2.041 -16.367 10.149 1.00 20.31 H new ATOM 0 HA ILE A 21 -1.140 -17.811 12.546 1.00 42.34 H new ATOM 0 HB ILE A 21 -0.581 -15.022 11.471 1.00 64.14 H new ATOM 0 HG12 ILE A 21 1.825 -15.981 11.868 1.00 60.11 H new ATOM 0 HG13 ILE A 21 1.027 -17.542 11.891 1.00 60.11 H new ATOM 0 HG21 ILE A 21 0.788 -14.653 13.485 1.00 55.44 H new ATOM 0 HG22 ILE A 21 -0.933 -14.865 13.889 1.00 55.44 H new ATOM 0 HG23 ILE A 21 0.214 -16.199 14.154 1.00 55.44 H new ATOM 0 HD11 ILE A 21 1.883 -17.028 9.658 1.00 62.33 H new ATOM 0 HD12 ILE A 21 0.106 -17.119 9.640 1.00 62.33 H new ATOM 0 HD13 ILE A 21 0.916 -15.535 9.617 1.00 62.33 H new ATOM 323 N ARG A 22 -2.982 -17.017 14.000 1.00 53.42 N ATOM 324 CA ARG A 22 -4.059 -16.581 14.881 1.00 4.33 C ATOM 325 C ARG A 22 -3.501 -15.860 16.105 1.00 42.41 C ATOM 326 O ARG A 22 -2.957 -16.487 17.013 1.00 21.34 O ATOM 327 CB ARG A 22 -4.902 -17.778 15.322 1.00 20.43 C ATOM 328 CG ARG A 22 -6.357 -17.432 15.591 1.00 34.44 C ATOM 329 CD ARG A 22 -6.537 -16.812 16.968 1.00 51.30 C ATOM 330 NE ARG A 22 -7.864 -16.226 17.135 1.00 13.21 N ATOM 331 CZ ARG A 22 -8.207 -15.466 18.169 1.00 12.41 C ATOM 332 NH1 ARG A 22 -7.325 -15.200 19.123 1.00 61.44 N ATOM 333 NH2 ARG A 22 -9.435 -14.969 18.251 1.00 42.44 N ATOM 0 H ARG A 22 -2.547 -17.899 14.270 1.00 53.42 H new ATOM 0 HA ARG A 22 -4.690 -15.886 14.327 1.00 4.33 H new ATOM 0 HB2 ARG A 22 -4.857 -18.547 14.551 1.00 20.43 H new ATOM 0 HB3 ARG A 22 -4.466 -18.206 16.225 1.00 20.43 H new ATOM 0 HG2 ARG A 22 -6.714 -16.739 14.829 1.00 34.44 H new ATOM 0 HG3 ARG A 22 -6.967 -18.332 15.514 1.00 34.44 H new ATOM 0 HD2 ARG A 22 -6.378 -17.573 17.732 1.00 51.30 H new ATOM 0 HD3 ARG A 22 -5.779 -16.043 17.121 1.00 51.30 H new ATOM 0 HE ARG A 22 -8.566 -16.410 16.418 1.00 13.21 H new ATOM 0 HH11 ARG A 22 -6.380 -15.579 19.064 1.00 61.44 H new ATOM 0 HH12 ARG A 22 -7.592 -14.616 19.916 1.00 61.44 H new ATOM 0 HH21 ARG A 22 -10.117 -15.171 17.519 1.00 42.44 H new ATOM 0 HH22 ARG A 22 -9.697 -14.386 19.046 1.00 42.44 H new ATOM 347 N SER A 23 -3.639 -14.538 16.121 1.00 55.33 N ATOM 348 CA SER A 23 -3.146 -13.731 17.230 1.00 3.52 C ATOM 349 C SER A 23 -1.669 -14.012 17.492 1.00 33.31 C ATOM 350 O SER A 23 -1.207 -13.953 18.631 1.00 42.45 O ATOM 351 CB SER A 23 -3.962 -14.009 18.494 1.00 42.01 C ATOM 352 OG SER A 23 -3.847 -12.943 19.420 1.00 2.15 O ATOM 0 H SER A 23 -4.089 -14.003 15.378 1.00 55.33 H new ATOM 0 HA SER A 23 -3.256 -12.681 16.959 1.00 3.52 H new ATOM 0 HB2 SER A 23 -5.010 -14.154 18.230 1.00 42.01 H new ATOM 0 HB3 SER A 23 -3.619 -14.935 18.956 1.00 42.01 H new ATOM 0 HG SER A 23 -2.900 -12.769 19.603 1.00 2.15 H new ATOM 358 N GLY A 24 -0.934 -14.320 16.428 1.00 70.21 N ATOM 359 CA GLY A 24 0.482 -14.607 16.563 1.00 62.14 C ATOM 360 C GLY A 24 0.758 -16.084 16.765 1.00 11.24 C ATOM 361 O GLY A 24 1.887 -16.478 17.058 1.00 32.15 O ATOM 0 H GLY A 24 -1.294 -14.376 15.475 1.00 70.21 H new ATOM 0 HA2 GLY A 24 1.006 -14.261 15.672 1.00 62.14 H new ATOM 0 HA3 GLY A 24 0.884 -14.047 17.407 1.00 62.14 H new ATOM 365 N LYS A 25 -0.276 -16.904 16.611 1.00 12.31 N ATOM 366 CA LYS A 25 -0.142 -18.346 16.779 1.00 4.23 C ATOM 367 C LYS A 25 -0.645 -19.087 15.545 1.00 43.13 C ATOM 368 O LYS A 25 -1.850 -19.179 15.311 1.00 30.22 O ATOM 369 CB LYS A 25 -0.914 -18.810 18.016 1.00 54.00 C ATOM 370 CG LYS A 25 -0.399 -18.214 19.314 1.00 11.15 C ATOM 371 CD LYS A 25 -1.126 -16.926 19.664 1.00 42.01 C ATOM 372 CE LYS A 25 -0.560 -16.291 20.925 1.00 63.11 C ATOM 373 NZ LYS A 25 0.921 -16.145 20.856 1.00 54.13 N ATOM 0 H LYS A 25 -1.217 -16.594 16.370 1.00 12.31 H new ATOM 0 HA LYS A 25 0.916 -18.574 16.912 1.00 4.23 H new ATOM 0 HB2 LYS A 25 -1.965 -18.547 17.897 1.00 54.00 H new ATOM 0 HB3 LYS A 25 -0.862 -19.897 18.080 1.00 54.00 H new ATOM 0 HG2 LYS A 25 -0.525 -18.935 20.122 1.00 11.15 H new ATOM 0 HG3 LYS A 25 0.670 -18.017 19.226 1.00 11.15 H new ATOM 0 HD2 LYS A 25 -1.045 -16.224 18.834 1.00 42.01 H new ATOM 0 HD3 LYS A 25 -2.187 -17.132 19.804 1.00 42.01 H new ATOM 0 HE2 LYS A 25 -1.015 -15.312 21.074 1.00 63.11 H new ATOM 0 HE3 LYS A 25 -0.825 -16.900 21.789 1.00 63.11 H new ATOM 0 HZ1 LYS A 25 1.210 -15.289 21.372 1.00 54.13 H new ATOM 0 HZ2 LYS A 25 1.372 -16.977 21.286 1.00 54.13 H new ATOM 0 HZ3 LYS A 25 1.216 -16.066 19.862 1.00 54.13 H new ATOM 387 N LYS A 26 0.286 -19.615 14.757 1.00 21.23 N ATOM 388 CA LYS A 26 -0.062 -20.351 13.548 1.00 60.14 C ATOM 389 C LYS A 26 -0.898 -21.583 13.882 1.00 43.34 C ATOM 390 O LYS A 26 -0.556 -22.350 14.782 1.00 72.32 O ATOM 391 CB LYS A 26 1.205 -20.769 12.798 1.00 70.30 C ATOM 392 CG LYS A 26 0.928 -21.502 11.496 1.00 12.45 C ATOM 393 CD LYS A 26 1.210 -20.622 10.290 1.00 4.54 C ATOM 394 CE LYS A 26 2.696 -20.582 9.965 1.00 74.32 C ATOM 395 NZ LYS A 26 3.194 -21.902 9.489 1.00 62.41 N ATOM 0 H LYS A 26 1.288 -19.546 14.935 1.00 21.23 H new ATOM 0 HA LYS A 26 -0.654 -19.694 12.911 1.00 60.14 H new ATOM 0 HB2 LYS A 26 1.801 -19.881 12.586 1.00 70.30 H new ATOM 0 HB3 LYS A 26 1.805 -21.409 13.445 1.00 70.30 H new ATOM 0 HG2 LYS A 26 1.544 -22.400 11.445 1.00 12.45 H new ATOM 0 HG3 LYS A 26 -0.112 -21.828 11.475 1.00 12.45 H new ATOM 0 HD2 LYS A 26 0.658 -20.996 9.428 1.00 4.54 H new ATOM 0 HD3 LYS A 26 0.851 -19.611 10.484 1.00 4.54 H new ATOM 0 HE2 LYS A 26 2.881 -19.827 9.201 1.00 74.32 H new ATOM 0 HE3 LYS A 26 3.254 -20.281 10.852 1.00 74.32 H new ATOM 0 HZ1 LYS A 26 4.066 -21.766 8.939 1.00 62.41 H new ATOM 0 HZ2 LYS A 26 3.392 -22.514 10.306 1.00 62.41 H new ATOM 0 HZ3 LYS A 26 2.472 -22.349 8.888 1.00 62.41 H new ATOM 409 N ILE A 27 -1.992 -21.766 13.150 1.00 1.44 N ATOM 410 CA ILE A 27 -2.874 -22.906 13.368 1.00 2.51 C ATOM 411 C ILE A 27 -2.383 -24.133 12.608 1.00 74.12 C ATOM 412 O ILE A 27 -1.858 -24.021 11.500 1.00 71.54 O ATOM 413 CB ILE A 27 -4.318 -22.591 12.935 1.00 0.35 C ATOM 414 CG1 ILE A 27 -4.854 -21.384 13.709 1.00 63.20 C ATOM 415 CG2 ILE A 27 -5.211 -23.803 13.150 1.00 74.43 C ATOM 416 CD1 ILE A 27 -4.992 -21.632 15.195 1.00 53.02 C ATOM 0 H ILE A 27 -2.289 -21.140 12.401 1.00 1.44 H new ATOM 0 HA ILE A 27 -2.862 -23.115 14.438 1.00 2.51 H new ATOM 0 HB ILE A 27 -4.318 -22.347 11.873 1.00 0.35 H new ATOM 0 HG12 ILE A 27 -4.188 -20.536 13.551 1.00 63.20 H new ATOM 0 HG13 ILE A 27 -5.827 -21.105 13.303 1.00 63.20 H new ATOM 0 HG21 ILE A 27 -6.228 -23.565 12.839 1.00 74.43 H new ATOM 0 HG22 ILE A 27 -4.838 -24.639 12.559 1.00 74.43 H new ATOM 0 HG23 ILE A 27 -5.208 -24.074 14.206 1.00 74.43 H new ATOM 0 HD11 ILE A 27 -5.377 -20.735 15.679 1.00 53.02 H new ATOM 0 HD12 ILE A 27 -5.682 -22.459 15.363 1.00 53.02 H new ATOM 0 HD13 ILE A 27 -4.017 -21.881 15.614 1.00 53.02 H new ATOM 428 N HIS A 28 -2.560 -25.305 13.210 1.00 51.11 N ATOM 429 CA HIS A 28 -2.138 -26.555 12.588 1.00 23.14 C ATOM 430 C HIS A 28 -3.228 -27.101 11.671 1.00 22.44 C ATOM 431 O HIS A 28 -4.418 -26.986 11.967 1.00 20.45 O ATOM 432 CB HIS A 28 -1.790 -27.590 13.659 1.00 0.52 C ATOM 433 CG HIS A 28 -0.399 -27.451 14.197 1.00 40.31 C ATOM 434 ND1 HIS A 28 -0.012 -27.951 15.422 1.00 33.13 N ATOM 435 CD2 HIS A 28 0.700 -26.865 13.667 1.00 25.14 C ATOM 436 CE1 HIS A 28 1.264 -27.678 15.624 1.00 3.41 C ATOM 437 NE2 HIS A 28 1.721 -27.019 14.574 1.00 75.53 N ATOM 0 H HIS A 28 -2.992 -25.415 14.127 1.00 51.11 H new ATOM 0 HA HIS A 28 -1.251 -26.352 11.988 1.00 23.14 H new ATOM 0 HB2 HIS A 28 -2.499 -27.502 14.482 1.00 0.52 H new ATOM 0 HB3 HIS A 28 -1.910 -28.589 13.240 1.00 0.52 H new ATOM 0 HD2 HIS A 28 0.763 -26.369 12.710 1.00 25.14 H new ATOM 0 HE1 HIS A 28 1.837 -27.948 16.499 1.00 3.41 H new ATOM 0 HE2 HIS A 28 2.676 -26.680 14.456 1.00 75.53 H new ATOM 445 N LEU A 29 -2.814 -27.695 10.557 1.00 33.14 N ATOM 446 CA LEU A 29 -3.756 -28.259 9.596 1.00 3.01 C ATOM 447 C LEU A 29 -3.129 -29.427 8.841 1.00 10.20 C ATOM 448 O LEU A 29 -1.983 -29.801 9.094 1.00 73.14 O ATOM 449 CB LEU A 29 -4.211 -27.184 8.608 1.00 15.20 C ATOM 450 CG LEU A 29 -3.119 -26.258 8.072 1.00 63.31 C ATOM 451 CD1 LEU A 29 -3.396 -25.889 6.623 1.00 65.02 C ATOM 452 CD2 LEU A 29 -3.010 -25.007 8.932 1.00 70.44 C ATOM 0 H LEU A 29 -1.833 -27.799 10.297 1.00 33.14 H new ATOM 0 HA LEU A 29 -4.622 -28.628 10.146 1.00 3.01 H new ATOM 0 HB2 LEU A 29 -4.689 -27.676 7.761 1.00 15.20 H new ATOM 0 HB3 LEU A 29 -4.972 -26.572 9.093 1.00 15.20 H new ATOM 0 HG LEU A 29 -2.167 -26.788 8.115 1.00 63.31 H new ATOM 0 HD11 LEU A 29 -2.608 -25.230 6.259 1.00 65.02 H new ATOM 0 HD12 LEU A 29 -3.422 -26.794 6.016 1.00 65.02 H new ATOM 0 HD13 LEU A 29 -4.357 -25.379 6.555 1.00 65.02 H new ATOM 0 HD21 LEU A 29 -2.228 -24.360 8.535 1.00 70.44 H new ATOM 0 HD22 LEU A 29 -3.961 -24.475 8.922 1.00 70.44 H new ATOM 0 HD23 LEU A 29 -2.763 -25.289 9.955 1.00 70.44 H new ATOM 464 N THR A 30 -3.887 -29.999 7.911 1.00 54.32 N ATOM 465 CA THR A 30 -3.407 -31.123 7.118 1.00 63.12 C ATOM 466 C THR A 30 -3.347 -30.766 5.637 1.00 5.31 C ATOM 467 O THR A 30 -3.687 -29.651 5.243 1.00 31.12 O ATOM 468 CB THR A 30 -4.303 -32.362 7.299 1.00 33.41 C ATOM 469 OG1 THR A 30 -3.666 -33.515 6.737 1.00 42.33 O ATOM 470 CG2 THR A 30 -5.657 -32.152 6.638 1.00 71.30 C ATOM 0 H THR A 30 -4.837 -29.702 7.689 1.00 54.32 H new ATOM 0 HA THR A 30 -2.403 -31.354 7.474 1.00 63.12 H new ATOM 0 HB THR A 30 -4.458 -32.518 8.367 1.00 33.41 H new ATOM 0 HG1 THR A 30 -4.242 -34.299 6.858 1.00 42.33 H new ATOM 0 HG21 THR A 30 -6.272 -33.040 6.779 1.00 71.30 H new ATOM 0 HG22 THR A 30 -6.152 -31.292 7.089 1.00 71.30 H new ATOM 0 HG23 THR A 30 -5.518 -31.973 5.572 1.00 71.30 H new ATOM 478 N GLY A 31 -2.911 -31.720 4.820 1.00 52.12 N ATOM 479 CA GLY A 31 -2.815 -31.486 3.391 1.00 51.22 C ATOM 480 C GLY A 31 -4.128 -31.025 2.789 1.00 2.22 C ATOM 481 O GLY A 31 -4.182 -30.001 2.108 1.00 41.05 O ATOM 0 H GLY A 31 -2.623 -32.651 5.122 1.00 52.12 H new ATOM 0 HA2 GLY A 31 -2.048 -30.736 3.200 1.00 51.22 H new ATOM 0 HA3 GLY A 31 -2.494 -32.403 2.897 1.00 51.22 H new ATOM 485 N LYS A 32 -5.190 -31.783 3.040 1.00 51.42 N ATOM 486 CA LYS A 32 -6.510 -31.448 2.518 1.00 2.52 C ATOM 487 C LYS A 32 -6.920 -30.040 2.940 1.00 34.41 C ATOM 488 O LYS A 32 -7.285 -29.214 2.104 1.00 23.22 O ATOM 489 CB LYS A 32 -7.547 -32.461 3.008 1.00 63.14 C ATOM 490 CG LYS A 32 -7.170 -33.904 2.719 1.00 31.02 C ATOM 491 CD LYS A 32 -8.401 -34.784 2.579 1.00 23.22 C ATOM 492 CE LYS A 32 -8.863 -35.315 3.928 1.00 64.14 C ATOM 493 NZ LYS A 32 -9.781 -34.364 4.613 1.00 30.20 N ATOM 0 H LYS A 32 -5.162 -32.634 3.602 1.00 51.42 H new ATOM 0 HA LYS A 32 -6.463 -31.483 1.430 1.00 2.52 H new ATOM 0 HB2 LYS A 32 -7.684 -32.338 4.082 1.00 63.14 H new ATOM 0 HB3 LYS A 32 -8.506 -32.243 2.538 1.00 63.14 H new ATOM 0 HG2 LYS A 32 -6.582 -33.951 1.803 1.00 31.02 H new ATOM 0 HG3 LYS A 32 -6.539 -34.284 3.522 1.00 31.02 H new ATOM 0 HD2 LYS A 32 -9.206 -34.214 2.116 1.00 23.22 H new ATOM 0 HD3 LYS A 32 -8.179 -35.619 1.915 1.00 23.22 H new ATOM 0 HE2 LYS A 32 -9.368 -36.271 3.788 1.00 64.14 H new ATOM 0 HE3 LYS A 32 -7.996 -35.502 4.561 1.00 64.14 H new ATOM 0 HZ1 LYS A 32 -9.448 -34.198 5.584 1.00 30.20 H new ATOM 0 HZ2 LYS A 32 -9.798 -33.463 4.094 1.00 30.20 H new ATOM 0 HZ3 LYS A 32 -10.740 -34.766 4.640 1.00 30.20 H new ATOM 507 N GLU A 33 -6.857 -29.775 4.241 1.00 33.33 N ATOM 508 CA GLU A 33 -7.222 -28.467 4.772 1.00 33.23 C ATOM 509 C GLU A 33 -6.400 -27.364 4.113 1.00 4.34 C ATOM 510 O GLU A 33 -6.921 -26.298 3.785 1.00 41.20 O ATOM 511 CB GLU A 33 -7.020 -28.433 6.289 1.00 61.14 C ATOM 512 CG GLU A 33 -7.031 -27.031 6.873 1.00 52.53 C ATOM 513 CD GLU A 33 -7.299 -27.022 8.365 1.00 33.32 C ATOM 514 OE1 GLU A 33 -7.271 -28.109 8.980 1.00 42.23 O ATOM 515 OE2 GLU A 33 -7.537 -25.928 8.918 1.00 33.15 O ATOM 0 H GLU A 33 -6.557 -30.448 4.946 1.00 33.33 H new ATOM 0 HA GLU A 33 -8.275 -28.294 4.549 1.00 33.23 H new ATOM 0 HB2 GLU A 33 -7.804 -29.022 6.765 1.00 61.14 H new ATOM 0 HB3 GLU A 33 -6.071 -28.911 6.531 1.00 61.14 H new ATOM 0 HG2 GLU A 33 -6.071 -26.553 6.677 1.00 52.53 H new ATOM 0 HG3 GLU A 33 -7.792 -26.437 6.367 1.00 52.53 H new ATOM 522 N TYR A 34 -5.112 -27.627 3.924 1.00 25.41 N ATOM 523 CA TYR A 34 -4.215 -26.657 3.308 1.00 52.54 C ATOM 524 C TYR A 34 -4.679 -26.305 1.897 1.00 35.24 C ATOM 525 O TYR A 34 -4.552 -25.163 1.455 1.00 20.34 O ATOM 526 CB TYR A 34 -2.788 -27.204 3.265 1.00 63.20 C ATOM 527 CG TYR A 34 -1.832 -26.342 2.473 1.00 44.54 C ATOM 528 CD1 TYR A 34 -1.364 -25.137 2.985 1.00 70.50 C ATOM 529 CD2 TYR A 34 -1.397 -26.730 1.212 1.00 44.45 C ATOM 530 CE1 TYR A 34 -0.491 -24.346 2.264 1.00 0.55 C ATOM 531 CE2 TYR A 34 -0.523 -25.945 0.485 1.00 45.14 C ATOM 532 CZ TYR A 34 -0.073 -24.754 1.015 1.00 3.21 C ATOM 533 OH TYR A 34 0.797 -23.969 0.293 1.00 11.55 O ATOM 0 H TYR A 34 -4.665 -28.505 4.189 1.00 25.41 H new ATOM 0 HA TYR A 34 -4.231 -25.751 3.914 1.00 52.54 H new ATOM 0 HB2 TYR A 34 -2.415 -27.303 4.284 1.00 63.20 H new ATOM 0 HB3 TYR A 34 -2.804 -28.205 2.833 1.00 63.20 H new ATOM 0 HD1 TYR A 34 -1.689 -24.814 3.963 1.00 70.50 H new ATOM 0 HD2 TYR A 34 -1.748 -27.661 0.793 1.00 44.45 H new ATOM 0 HE1 TYR A 34 -0.138 -23.413 2.676 1.00 0.55 H new ATOM 0 HE2 TYR A 34 -0.194 -26.262 -0.493 1.00 45.14 H new ATOM 0 HH TYR A 34 0.992 -24.401 -0.565 1.00 11.55 H new ATOM 543 N VAL A 35 -5.220 -27.296 1.195 1.00 22.32 N ATOM 544 CA VAL A 35 -5.705 -27.094 -0.164 1.00 54.45 C ATOM 545 C VAL A 35 -6.972 -26.245 -0.175 1.00 32.42 C ATOM 546 O VAL A 35 -7.181 -25.432 -1.076 1.00 71.54 O ATOM 547 CB VAL A 35 -5.993 -28.435 -0.863 1.00 75.55 C ATOM 548 CG1 VAL A 35 -6.890 -28.225 -2.074 1.00 60.52 C ATOM 549 CG2 VAL A 35 -4.694 -29.117 -1.264 1.00 3.10 C ATOM 0 H VAL A 35 -5.333 -28.247 1.546 1.00 22.32 H new ATOM 0 HA VAL A 35 -4.917 -26.572 -0.707 1.00 54.45 H new ATOM 0 HB VAL A 35 -6.516 -29.085 -0.161 1.00 75.55 H new ATOM 0 HG11 VAL A 35 -7.082 -29.184 -2.555 1.00 60.52 H new ATOM 0 HG12 VAL A 35 -7.834 -27.783 -1.755 1.00 60.52 H new ATOM 0 HG13 VAL A 35 -6.397 -27.557 -2.781 1.00 60.52 H new ATOM 0 HG21 VAL A 35 -4.917 -30.063 -1.757 1.00 3.10 H new ATOM 0 HG22 VAL A 35 -4.141 -28.473 -1.948 1.00 3.10 H new ATOM 0 HG23 VAL A 35 -4.092 -29.304 -0.375 1.00 3.10 H new ATOM 559 N LEU A 36 -7.815 -26.439 0.833 1.00 35.41 N ATOM 560 CA LEU A 36 -9.063 -25.692 0.941 1.00 14.44 C ATOM 561 C LEU A 36 -8.804 -24.266 1.417 1.00 12.33 C ATOM 562 O LEU A 36 -9.493 -23.329 1.010 1.00 21.13 O ATOM 563 CB LEU A 36 -10.021 -26.396 1.903 1.00 34.35 C ATOM 564 CG LEU A 36 -10.344 -27.856 1.581 1.00 43.34 C ATOM 565 CD1 LEU A 36 -11.650 -28.272 2.238 1.00 14.22 C ATOM 566 CD2 LEU A 36 -10.411 -28.067 0.075 1.00 14.51 C ATOM 0 H LEU A 36 -7.657 -27.107 1.587 1.00 35.41 H new ATOM 0 HA LEU A 36 -9.518 -25.649 -0.048 1.00 14.44 H new ATOM 0 HB2 LEU A 36 -9.595 -26.352 2.905 1.00 34.35 H new ATOM 0 HB3 LEU A 36 -10.955 -25.835 1.929 1.00 34.35 H new ATOM 0 HG LEU A 36 -9.546 -28.481 1.981 1.00 43.34 H new ATOM 0 HD11 LEU A 36 -11.863 -29.314 1.997 1.00 14.22 H new ATOM 0 HD12 LEU A 36 -11.566 -28.159 3.319 1.00 14.22 H new ATOM 0 HD13 LEU A 36 -12.460 -27.642 1.870 1.00 14.22 H new ATOM 0 HD21 LEU A 36 -10.642 -29.111 -0.136 1.00 14.51 H new ATOM 0 HD22 LEU A 36 -11.189 -27.431 -0.347 1.00 14.51 H new ATOM 0 HD23 LEU A 36 -9.450 -27.810 -0.371 1.00 14.51 H new ATOM 578 N LEU A 37 -7.806 -24.108 2.279 1.00 10.35 N ATOM 579 CA LEU A 37 -7.453 -22.795 2.810 1.00 75.15 C ATOM 580 C LEU A 37 -6.629 -22.003 1.799 1.00 33.34 C ATOM 581 O LEU A 37 -6.950 -20.858 1.485 1.00 52.13 O ATOM 582 CB LEU A 37 -6.673 -22.944 4.117 1.00 71.03 C ATOM 583 CG LEU A 37 -7.487 -22.808 5.404 1.00 53.32 C ATOM 584 CD1 LEU A 37 -7.960 -21.374 5.587 1.00 3.22 C ATOM 585 CD2 LEU A 37 -8.671 -23.764 5.390 1.00 53.53 C ATOM 0 H LEU A 37 -7.226 -24.872 2.626 1.00 10.35 H new ATOM 0 HA LEU A 37 -8.376 -22.249 3.006 1.00 75.15 H new ATOM 0 HB2 LEU A 37 -6.189 -23.921 4.119 1.00 71.03 H new ATOM 0 HB3 LEU A 37 -5.881 -22.196 4.131 1.00 71.03 H new ATOM 0 HG LEU A 37 -6.846 -23.068 6.246 1.00 53.32 H new ATOM 0 HD11 LEU A 37 -8.538 -21.296 6.508 1.00 3.22 H new ATOM 0 HD12 LEU A 37 -7.097 -20.711 5.643 1.00 3.22 H new ATOM 0 HD13 LEU A 37 -8.585 -21.086 4.741 1.00 3.22 H new ATOM 0 HD21 LEU A 37 -9.239 -23.653 6.314 1.00 53.53 H new ATOM 0 HD22 LEU A 37 -9.313 -23.535 4.540 1.00 53.53 H new ATOM 0 HD23 LEU A 37 -8.310 -24.789 5.307 1.00 53.53 H new ATOM 597 N GLU A 38 -5.568 -22.623 1.294 1.00 65.22 N ATOM 598 CA GLU A 38 -4.699 -21.976 0.318 1.00 43.21 C ATOM 599 C GLU A 38 -5.511 -21.410 -0.843 1.00 73.12 C ATOM 600 O GLU A 38 -5.191 -20.349 -1.381 1.00 73.34 O ATOM 601 CB GLU A 38 -3.658 -22.967 -0.208 1.00 54.24 C ATOM 602 CG GLU A 38 -4.231 -23.999 -1.165 1.00 64.30 C ATOM 603 CD GLU A 38 -4.268 -23.508 -2.599 1.00 74.21 C ATOM 604 OE1 GLU A 38 -3.501 -22.579 -2.928 1.00 12.13 O ATOM 605 OE2 GLU A 38 -5.064 -24.052 -3.392 1.00 75.24 O ATOM 0 H GLU A 38 -5.289 -23.572 1.544 1.00 65.22 H new ATOM 0 HA GLU A 38 -4.187 -21.153 0.816 1.00 43.21 H new ATOM 0 HB2 GLU A 38 -2.866 -22.415 -0.714 1.00 54.24 H new ATOM 0 HB3 GLU A 38 -3.199 -23.482 0.636 1.00 54.24 H new ATOM 0 HG2 GLU A 38 -3.634 -24.909 -1.112 1.00 64.30 H new ATOM 0 HG3 GLU A 38 -5.241 -24.261 -0.849 1.00 64.30 H new ATOM 612 N LEU A 39 -6.564 -22.125 -1.225 1.00 24.42 N ATOM 613 CA LEU A 39 -7.423 -21.696 -2.323 1.00 32.24 C ATOM 614 C LEU A 39 -8.393 -20.612 -1.863 1.00 70.41 C ATOM 615 O LEU A 39 -8.534 -19.575 -2.512 1.00 54.10 O ATOM 616 CB LEU A 39 -8.201 -22.888 -2.883 1.00 61.15 C ATOM 617 CG LEU A 39 -8.526 -22.835 -4.377 1.00 1.23 C ATOM 618 CD1 LEU A 39 -7.249 -22.857 -5.202 1.00 41.11 C ATOM 619 CD2 LEU A 39 -9.435 -23.991 -4.766 1.00 70.32 C ATOM 0 H LEU A 39 -6.843 -23.004 -0.790 1.00 24.42 H new ATOM 0 HA LEU A 39 -6.790 -21.282 -3.108 1.00 32.24 H new ATOM 0 HB2 LEU A 39 -7.628 -23.794 -2.688 1.00 61.15 H new ATOM 0 HB3 LEU A 39 -9.137 -22.978 -2.331 1.00 61.15 H new ATOM 0 HG LEU A 39 -9.050 -21.902 -4.583 1.00 1.23 H new ATOM 0 HD11 LEU A 39 -7.500 -22.819 -6.262 1.00 41.11 H new ATOM 0 HD12 LEU A 39 -6.634 -21.995 -4.943 1.00 41.11 H new ATOM 0 HD13 LEU A 39 -6.696 -23.773 -4.993 1.00 41.11 H new ATOM 0 HD21 LEU A 39 -9.656 -23.937 -5.832 1.00 70.32 H new ATOM 0 HD22 LEU A 39 -8.937 -24.935 -4.546 1.00 70.32 H new ATOM 0 HD23 LEU A 39 -10.364 -23.930 -4.200 1.00 70.32 H new ATOM 631 N LEU A 40 -9.058 -20.858 -0.740 1.00 24.34 N ATOM 632 CA LEU A 40 -10.013 -19.902 -0.191 1.00 32.21 C ATOM 633 C LEU A 40 -9.367 -18.533 -0.005 1.00 14.13 C ATOM 634 O LEU A 40 -9.923 -17.512 -0.413 1.00 3.00 O ATOM 635 CB LEU A 40 -10.560 -20.407 1.146 1.00 65.13 C ATOM 636 CG LEU A 40 -11.943 -21.056 1.103 1.00 73.41 C ATOM 637 CD1 LEU A 40 -13.008 -20.023 0.769 1.00 2.11 C ATOM 638 CD2 LEU A 40 -11.967 -22.195 0.093 1.00 13.32 C ATOM 0 H LEU A 40 -8.954 -21.712 -0.192 1.00 24.34 H new ATOM 0 HA LEU A 40 -10.836 -19.802 -0.898 1.00 32.21 H new ATOM 0 HB2 LEU A 40 -9.854 -21.130 1.555 1.00 65.13 H new ATOM 0 HB3 LEU A 40 -10.596 -19.568 1.841 1.00 65.13 H new ATOM 0 HG LEU A 40 -12.161 -21.466 2.089 1.00 73.41 H new ATOM 0 HD11 LEU A 40 -13.986 -20.504 0.743 1.00 2.11 H new ATOM 0 HD12 LEU A 40 -13.008 -19.242 1.529 1.00 2.11 H new ATOM 0 HD13 LEU A 40 -12.794 -19.582 -0.205 1.00 2.11 H new ATOM 0 HD21 LEU A 40 -12.959 -22.645 0.076 1.00 13.32 H new ATOM 0 HD22 LEU A 40 -11.727 -21.808 -0.897 1.00 13.32 H new ATOM 0 HD23 LEU A 40 -11.232 -22.948 0.376 1.00 13.32 H new ATOM 650 N LEU A 41 -8.191 -18.518 0.612 1.00 31.42 N ATOM 651 CA LEU A 41 -7.467 -17.274 0.851 1.00 75.42 C ATOM 652 C LEU A 41 -6.948 -16.687 -0.458 1.00 23.34 C ATOM 653 O LEU A 41 -6.998 -15.476 -0.668 1.00 4.22 O ATOM 654 CB LEU A 41 -6.303 -17.515 1.813 1.00 31.11 C ATOM 655 CG LEU A 41 -5.210 -18.464 1.320 1.00 33.34 C ATOM 656 CD1 LEU A 41 -4.124 -17.693 0.586 1.00 35.11 C ATOM 657 CD2 LEU A 41 -4.618 -19.246 2.484 1.00 1.41 C ATOM 0 H LEU A 41 -7.718 -19.354 0.956 1.00 31.42 H new ATOM 0 HA LEU A 41 -8.158 -16.560 1.299 1.00 75.42 H new ATOM 0 HB2 LEU A 41 -5.844 -16.554 2.045 1.00 31.11 H new ATOM 0 HB3 LEU A 41 -6.705 -17.909 2.746 1.00 31.11 H new ATOM 0 HG LEU A 41 -5.658 -19.172 0.623 1.00 33.34 H new ATOM 0 HD11 LEU A 41 -3.355 -18.385 0.243 1.00 35.11 H new ATOM 0 HD12 LEU A 41 -4.559 -17.179 -0.271 1.00 35.11 H new ATOM 0 HD13 LEU A 41 -3.679 -16.961 1.260 1.00 35.11 H new ATOM 0 HD21 LEU A 41 -3.842 -19.916 2.115 1.00 1.41 H new ATOM 0 HD22 LEU A 41 -4.186 -18.553 3.206 1.00 1.41 H new ATOM 0 HD23 LEU A 41 -5.402 -19.830 2.966 1.00 1.41 H new ATOM 669 N GLN A 42 -6.451 -17.555 -1.334 1.00 14.13 N ATOM 670 CA GLN A 42 -5.924 -17.122 -2.622 1.00 52.32 C ATOM 671 C GLN A 42 -6.992 -16.391 -3.429 1.00 41.53 C ATOM 672 O GLN A 42 -6.749 -15.307 -3.960 1.00 42.24 O ATOM 673 CB GLN A 42 -5.403 -18.323 -3.414 1.00 0.54 C ATOM 674 CG GLN A 42 -4.945 -17.972 -4.820 1.00 41.20 C ATOM 675 CD GLN A 42 -4.529 -19.191 -5.619 1.00 41.03 C ATOM 676 OE1 GLN A 42 -5.428 -20.162 -5.730 1.00 72.14 O flip ATOM 677 NE2 GLN A 42 -3.411 -19.260 -6.131 1.00 53.54 N flip ATOM 0 H GLN A 42 -6.403 -18.561 -1.175 1.00 14.13 H new ATOM 0 HA GLN A 42 -5.100 -16.433 -2.436 1.00 52.32 H new ATOM 0 HB2 GLN A 42 -4.571 -18.772 -2.871 1.00 0.54 H new ATOM 0 HB3 GLN A 42 -6.188 -19.076 -3.474 1.00 0.54 H new ATOM 0 HG2 GLN A 42 -5.751 -17.457 -5.343 1.00 41.20 H new ATOM 0 HG3 GLN A 42 -4.107 -17.277 -4.762 1.00 41.20 H new ATOM 0 HE21 GLN A 42 -2.751 -18.490 -6.020 1.00 53.54 H new ATOM 0 HE22 GLN A 42 -3.145 -20.087 -6.666 1.00 53.54 H new ATOM 686 N ARG A 43 -8.174 -16.991 -3.517 1.00 54.34 N ATOM 687 CA ARG A 43 -9.279 -16.397 -4.261 1.00 61.13 C ATOM 688 C ARG A 43 -10.233 -15.663 -3.324 1.00 0.50 C ATOM 689 O ARG A 43 -11.414 -15.495 -3.629 1.00 13.42 O ATOM 690 CB ARG A 43 -10.038 -17.476 -5.036 1.00 40.22 C ATOM 691 CG ARG A 43 -9.131 -18.454 -5.765 1.00 33.34 C ATOM 692 CD ARG A 43 -8.215 -17.740 -6.746 1.00 31.11 C ATOM 693 NE ARG A 43 -7.422 -18.678 -7.536 1.00 4.13 N ATOM 694 CZ ARG A 43 -7.900 -19.351 -8.576 1.00 71.21 C ATOM 695 NH1 ARG A 43 -9.162 -19.191 -8.950 1.00 41.32 N ATOM 696 NH2 ARG A 43 -7.116 -20.187 -9.245 1.00 3.31 N ATOM 0 H ARG A 43 -8.392 -17.888 -3.083 1.00 54.34 H new ATOM 0 HA ARG A 43 -8.864 -15.677 -4.966 1.00 61.13 H new ATOM 0 HB2 ARG A 43 -10.673 -18.029 -4.344 1.00 40.22 H new ATOM 0 HB3 ARG A 43 -10.697 -16.996 -5.760 1.00 40.22 H new ATOM 0 HG2 ARG A 43 -8.531 -19.005 -5.040 1.00 33.34 H new ATOM 0 HG3 ARG A 43 -9.738 -19.186 -6.299 1.00 33.34 H new ATOM 0 HD2 ARG A 43 -8.812 -17.119 -7.413 1.00 31.11 H new ATOM 0 HD3 ARG A 43 -7.549 -17.072 -6.200 1.00 31.11 H new ATOM 0 HE ARG A 43 -6.447 -18.824 -7.274 1.00 4.13 H new ATOM 0 HH11 ARG A 43 -9.768 -18.550 -8.438 1.00 41.32 H new ATOM 0 HH12 ARG A 43 -9.527 -19.709 -9.749 1.00 41.32 H new ATOM 0 HH21 ARG A 43 -6.145 -20.313 -8.960 1.00 3.31 H new ATOM 0 HH22 ARG A 43 -7.485 -20.703 -10.044 1.00 3.31 H new ATOM 710 N THR A 44 -9.713 -15.227 -2.181 1.00 2.52 N ATOM 711 CA THR A 44 -10.518 -14.512 -1.198 1.00 44.13 C ATOM 712 C THR A 44 -11.287 -13.366 -1.846 1.00 25.00 C ATOM 713 O THR A 44 -10.702 -12.510 -2.510 1.00 35.45 O ATOM 714 CB THR A 44 -9.646 -13.951 -0.059 1.00 42.30 C ATOM 715 OG1 THR A 44 -10.465 -13.260 0.890 1.00 15.32 O ATOM 716 CG2 THR A 44 -8.586 -13.006 -0.604 1.00 44.21 C ATOM 0 H THR A 44 -8.737 -15.357 -1.913 1.00 2.52 H new ATOM 0 HA THR A 44 -11.224 -15.232 -0.784 1.00 44.13 H new ATOM 0 HB THR A 44 -9.147 -14.787 0.432 1.00 42.30 H new ATOM 0 HG1 THR A 44 -9.903 -12.908 1.612 1.00 15.32 H new ATOM 0 HG21 THR A 44 -7.983 -12.623 0.219 1.00 44.21 H new ATOM 0 HG22 THR A 44 -7.946 -13.542 -1.304 1.00 44.21 H new ATOM 0 HG23 THR A 44 -9.069 -12.175 -1.118 1.00 44.21 H new ATOM 724 N GLY A 45 -12.601 -13.355 -1.648 1.00 74.13 N ATOM 725 CA GLY A 45 -13.429 -12.309 -2.220 1.00 2.34 C ATOM 726 C GLY A 45 -14.388 -12.836 -3.269 1.00 4.42 C ATOM 727 O GLY A 45 -15.352 -12.163 -3.630 1.00 15.21 O ATOM 0 H GLY A 45 -13.107 -14.052 -1.102 1.00 74.13 H new ATOM 0 HA2 GLY A 45 -13.996 -11.823 -1.426 1.00 2.34 H new ATOM 0 HA3 GLY A 45 -12.790 -11.548 -2.667 1.00 2.34 H new ATOM 731 N GLU A 46 -14.120 -14.042 -3.760 1.00 55.41 N ATOM 732 CA GLU A 46 -14.967 -14.656 -4.776 1.00 64.23 C ATOM 733 C GLU A 46 -15.242 -16.120 -4.443 1.00 4.32 C ATOM 734 O GLU A 46 -14.454 -16.771 -3.757 1.00 5.54 O ATOM 735 CB GLU A 46 -14.307 -14.551 -6.153 1.00 1.31 C ATOM 736 CG GLU A 46 -12.868 -15.038 -6.177 1.00 70.43 C ATOM 737 CD GLU A 46 -12.340 -15.226 -7.586 1.00 65.11 C ATOM 738 OE1 GLU A 46 -12.857 -16.109 -8.302 1.00 23.03 O ATOM 739 OE2 GLU A 46 -11.408 -14.489 -7.973 1.00 33.12 O ATOM 0 H GLU A 46 -13.325 -14.612 -3.471 1.00 55.41 H new ATOM 0 HA GLU A 46 -15.916 -14.120 -4.793 1.00 64.23 H new ATOM 0 HB2 GLU A 46 -14.889 -15.129 -6.871 1.00 1.31 H new ATOM 0 HB3 GLU A 46 -14.336 -13.512 -6.482 1.00 1.31 H new ATOM 0 HG2 GLU A 46 -12.237 -14.323 -5.649 1.00 70.43 H new ATOM 0 HG3 GLU A 46 -12.799 -15.983 -5.638 1.00 70.43 H new ATOM 746 N VAL A 47 -16.366 -16.631 -4.933 1.00 74.03 N ATOM 747 CA VAL A 47 -16.747 -18.017 -4.689 1.00 25.25 C ATOM 748 C VAL A 47 -16.163 -18.943 -5.750 1.00 53.45 C ATOM 749 O VAL A 47 -16.247 -18.663 -6.947 1.00 44.22 O ATOM 750 CB VAL A 47 -18.278 -18.183 -4.663 1.00 64.23 C ATOM 751 CG1 VAL A 47 -18.656 -19.582 -4.199 1.00 44.43 C ATOM 752 CG2 VAL A 47 -18.913 -17.127 -3.772 1.00 50.10 C ATOM 0 H VAL A 47 -17.030 -16.106 -5.502 1.00 74.03 H new ATOM 0 HA VAL A 47 -16.344 -18.288 -3.713 1.00 25.25 H new ATOM 0 HB VAL A 47 -18.658 -18.047 -5.676 1.00 64.23 H new ATOM 0 HG11 VAL A 47 -19.741 -19.680 -4.187 1.00 44.43 H new ATOM 0 HG12 VAL A 47 -18.232 -20.319 -4.882 1.00 44.43 H new ATOM 0 HG13 VAL A 47 -18.265 -19.750 -3.195 1.00 44.43 H new ATOM 0 HG21 VAL A 47 -19.995 -17.259 -3.765 1.00 50.10 H new ATOM 0 HG22 VAL A 47 -18.529 -17.228 -2.757 1.00 50.10 H new ATOM 0 HG23 VAL A 47 -18.671 -16.135 -4.154 1.00 50.10 H new ATOM 762 N LEU A 48 -15.573 -20.046 -5.306 1.00 32.44 N ATOM 763 CA LEU A 48 -14.976 -21.015 -6.218 1.00 24.40 C ATOM 764 C LEU A 48 -15.788 -22.306 -6.251 1.00 14.33 C ATOM 765 O LEU A 48 -16.466 -22.666 -5.288 1.00 24.32 O ATOM 766 CB LEU A 48 -13.535 -21.317 -5.801 1.00 71.00 C ATOM 767 CG LEU A 48 -12.833 -20.235 -4.980 1.00 14.32 C ATOM 768 CD1 LEU A 48 -11.437 -20.688 -4.582 1.00 13.31 C ATOM 769 CD2 LEU A 48 -12.771 -18.930 -5.760 1.00 44.13 C ATOM 0 H LEU A 48 -15.495 -20.292 -4.319 1.00 32.44 H new ATOM 0 HA LEU A 48 -14.976 -20.582 -7.218 1.00 24.40 H new ATOM 0 HB2 LEU A 48 -13.531 -22.242 -5.225 1.00 71.00 H new ATOM 0 HB3 LEU A 48 -12.948 -21.500 -6.701 1.00 71.00 H new ATOM 0 HG LEU A 48 -13.410 -20.064 -4.071 1.00 14.32 H new ATOM 0 HD11 LEU A 48 -10.953 -19.905 -3.998 1.00 13.31 H new ATOM 0 HD12 LEU A 48 -11.506 -21.596 -3.984 1.00 13.31 H new ATOM 0 HD13 LEU A 48 -10.850 -20.888 -5.478 1.00 13.31 H new ATOM 0 HD21 LEU A 48 -12.268 -18.171 -5.160 1.00 44.13 H new ATOM 0 HD22 LEU A 48 -12.218 -19.086 -6.686 1.00 44.13 H new ATOM 0 HD23 LEU A 48 -13.782 -18.597 -5.993 1.00 44.13 H new ATOM 781 N PRO A 49 -15.720 -23.020 -7.384 1.00 24.22 N ATOM 782 CA PRO A 49 -16.441 -24.283 -7.568 1.00 65.13 C ATOM 783 C PRO A 49 -15.871 -25.407 -6.709 1.00 44.25 C ATOM 784 O PRO A 49 -14.690 -25.396 -6.360 1.00 71.01 O ATOM 785 CB PRO A 49 -16.241 -24.592 -9.054 1.00 42.22 C ATOM 786 CG PRO A 49 -14.978 -23.891 -9.420 1.00 71.12 C ATOM 787 CD PRO A 49 -14.932 -22.650 -8.572 1.00 30.42 C ATOM 0 HA PRO A 49 -17.487 -24.202 -7.272 1.00 65.13 H new ATOM 0 HB2 PRO A 49 -16.163 -25.665 -9.228 1.00 42.22 H new ATOM 0 HB3 PRO A 49 -17.080 -24.233 -9.650 1.00 42.22 H new ATOM 0 HG2 PRO A 49 -14.111 -24.525 -9.232 1.00 71.12 H new ATOM 0 HG3 PRO A 49 -14.964 -23.640 -10.481 1.00 71.12 H new ATOM 0 HD2 PRO A 49 -13.909 -22.381 -8.308 1.00 30.42 H new ATOM 0 HD3 PRO A 49 -15.363 -21.793 -9.090 1.00 30.42 H new ATOM 795 N ARG A 50 -16.716 -26.375 -6.373 1.00 72.30 N ATOM 796 CA ARG A 50 -16.296 -27.506 -5.554 1.00 70.13 C ATOM 797 C ARG A 50 -15.512 -28.517 -6.385 1.00 61.53 C ATOM 798 O ARG A 50 -14.622 -29.198 -5.875 1.00 42.15 O ATOM 799 CB ARG A 50 -17.512 -28.184 -4.921 1.00 32.13 C ATOM 800 CG ARG A 50 -17.216 -29.566 -4.361 1.00 75.13 C ATOM 801 CD ARG A 50 -17.952 -29.806 -3.052 1.00 63.31 C ATOM 802 NE ARG A 50 -19.107 -30.683 -3.226 1.00 10.41 N ATOM 803 CZ ARG A 50 -20.305 -30.253 -3.606 1.00 40.40 C ATOM 804 NH1 ARG A 50 -20.504 -28.965 -3.851 1.00 43.13 N ATOM 805 NH2 ARG A 50 -21.307 -31.112 -3.742 1.00 51.41 N ATOM 0 H ARG A 50 -17.696 -26.399 -6.655 1.00 72.30 H new ATOM 0 HA ARG A 50 -15.647 -27.129 -4.764 1.00 70.13 H new ATOM 0 HB2 ARG A 50 -17.894 -27.551 -4.120 1.00 32.13 H new ATOM 0 HB3 ARG A 50 -18.302 -28.265 -5.668 1.00 32.13 H new ATOM 0 HG2 ARG A 50 -17.507 -30.324 -5.088 1.00 75.13 H new ATOM 0 HG3 ARG A 50 -16.143 -29.673 -4.201 1.00 75.13 H new ATOM 0 HD2 ARG A 50 -17.268 -30.247 -2.327 1.00 63.31 H new ATOM 0 HD3 ARG A 50 -18.280 -28.852 -2.641 1.00 63.31 H new ATOM 0 HE ARG A 50 -18.987 -31.680 -3.046 1.00 10.41 H new ATOM 0 HH11 ARG A 50 -19.736 -28.302 -3.748 1.00 43.13 H new ATOM 0 HH12 ARG A 50 -21.425 -28.638 -4.143 1.00 43.13 H new ATOM 0 HH21 ARG A 50 -21.158 -32.103 -3.555 1.00 51.41 H new ATOM 0 HH22 ARG A 50 -22.227 -30.781 -4.034 1.00 51.41 H new ATOM 819 N SER A 51 -15.849 -28.611 -7.668 1.00 14.44 N ATOM 820 CA SER A 51 -15.180 -29.542 -8.568 1.00 53.35 C ATOM 821 C SER A 51 -13.693 -29.220 -8.675 1.00 63.22 C ATOM 822 O SER A 51 -12.842 -30.092 -8.491 1.00 72.01 O ATOM 823 CB SER A 51 -15.825 -29.495 -9.955 1.00 44.43 C ATOM 824 OG SER A 51 -15.638 -28.228 -10.562 1.00 2.53 O ATOM 0 H SER A 51 -16.582 -28.053 -8.107 1.00 14.44 H new ATOM 0 HA SER A 51 -15.288 -30.546 -8.159 1.00 53.35 H new ATOM 0 HB2 SER A 51 -15.394 -30.272 -10.587 1.00 44.43 H new ATOM 0 HB3 SER A 51 -16.891 -29.708 -9.871 1.00 44.43 H new ATOM 0 HG SER A 51 -16.058 -28.224 -11.448 1.00 2.53 H new ATOM 830 N LEU A 52 -13.386 -27.963 -8.974 1.00 2.32 N ATOM 831 CA LEU A 52 -12.001 -27.524 -9.106 1.00 2.35 C ATOM 832 C LEU A 52 -11.216 -27.806 -7.828 1.00 55.50 C ATOM 833 O LEU A 52 -10.123 -28.370 -7.871 1.00 42.33 O ATOM 834 CB LEU A 52 -11.947 -26.030 -9.431 1.00 73.14 C ATOM 835 CG LEU A 52 -10.571 -25.471 -9.792 1.00 42.24 C ATOM 836 CD1 LEU A 52 -10.703 -24.325 -10.784 1.00 14.15 C ATOM 837 CD2 LEU A 52 -9.836 -25.013 -8.541 1.00 21.52 C ATOM 0 H LEU A 52 -14.077 -27.229 -9.130 1.00 2.32 H new ATOM 0 HA LEU A 52 -11.545 -28.084 -9.922 1.00 2.35 H new ATOM 0 HB2 LEU A 52 -12.626 -25.835 -10.261 1.00 73.14 H new ATOM 0 HB3 LEU A 52 -12.327 -25.478 -8.572 1.00 73.14 H new ATOM 0 HG LEU A 52 -9.990 -26.265 -10.261 1.00 42.24 H new ATOM 0 HD11 LEU A 52 -9.713 -23.940 -11.029 1.00 14.15 H new ATOM 0 HD12 LEU A 52 -11.188 -24.684 -11.692 1.00 14.15 H new ATOM 0 HD13 LEU A 52 -11.303 -23.529 -10.343 1.00 14.15 H new ATOM 0 HD21 LEU A 52 -8.858 -24.618 -8.817 1.00 21.52 H new ATOM 0 HD22 LEU A 52 -10.414 -24.234 -8.044 1.00 21.52 H new ATOM 0 HD23 LEU A 52 -9.708 -25.858 -7.864 1.00 21.52 H new ATOM 849 N ILE A 53 -11.783 -27.411 -6.693 1.00 32.02 N ATOM 850 CA ILE A 53 -11.138 -27.624 -5.403 1.00 73.42 C ATOM 851 C ILE A 53 -10.746 -29.086 -5.220 1.00 21.50 C ATOM 852 O ILE A 53 -9.590 -29.398 -4.934 1.00 30.53 O ATOM 853 CB ILE A 53 -12.053 -27.200 -4.239 1.00 73.42 C ATOM 854 CG1 ILE A 53 -12.442 -25.727 -4.378 1.00 31.11 C ATOM 855 CG2 ILE A 53 -11.364 -27.449 -2.906 1.00 3.51 C ATOM 856 CD1 ILE A 53 -13.706 -25.363 -3.631 1.00 53.24 C ATOM 0 H ILE A 53 -12.687 -26.942 -6.640 1.00 32.02 H new ATOM 0 HA ILE A 53 -10.241 -27.005 -5.393 1.00 73.42 H new ATOM 0 HB ILE A 53 -12.962 -27.801 -4.273 1.00 73.42 H new ATOM 0 HG12 ILE A 53 -11.623 -25.107 -4.013 1.00 31.11 H new ATOM 0 HG13 ILE A 53 -12.573 -25.492 -5.434 1.00 31.11 H new ATOM 0 HG21 ILE A 53 -12.023 -27.144 -2.093 1.00 3.51 H new ATOM 0 HG22 ILE A 53 -11.134 -28.510 -2.808 1.00 3.51 H new ATOM 0 HG23 ILE A 53 -10.441 -26.871 -2.860 1.00 3.51 H new ATOM 0 HD11 ILE A 53 -13.921 -24.304 -3.774 1.00 53.24 H new ATOM 0 HD12 ILE A 53 -14.537 -25.957 -4.011 1.00 53.24 H new ATOM 0 HD13 ILE A 53 -13.572 -25.566 -2.568 1.00 53.24 H new ATOM 868 N SER A 54 -11.716 -29.979 -5.389 1.00 22.53 N ATOM 869 CA SER A 54 -11.473 -31.410 -5.240 1.00 44.41 C ATOM 870 C SER A 54 -10.319 -31.860 -6.132 1.00 15.02 C ATOM 871 O SER A 54 -9.595 -32.799 -5.802 1.00 34.21 O ATOM 872 CB SER A 54 -12.736 -32.202 -5.582 1.00 51.51 C ATOM 873 OG SER A 54 -12.965 -32.218 -6.980 1.00 40.25 O ATOM 0 H SER A 54 -12.677 -29.737 -5.629 1.00 22.53 H new ATOM 0 HA SER A 54 -11.203 -31.602 -4.201 1.00 44.41 H new ATOM 0 HB2 SER A 54 -12.639 -33.224 -5.215 1.00 51.51 H new ATOM 0 HB3 SER A 54 -13.594 -31.761 -5.075 1.00 51.51 H new ATOM 0 HG SER A 54 -13.105 -31.302 -7.299 1.00 40.25 H new ATOM 879 N SER A 55 -10.156 -31.183 -7.264 1.00 5.33 N ATOM 880 CA SER A 55 -9.093 -31.515 -8.206 1.00 53.50 C ATOM 881 C SER A 55 -7.728 -31.129 -7.644 1.00 34.33 C ATOM 882 O SER A 55 -6.714 -31.750 -7.965 1.00 1.13 O ATOM 883 CB SER A 55 -9.327 -30.804 -9.541 1.00 24.32 C ATOM 884 OG SER A 55 -8.149 -30.154 -9.985 1.00 44.21 O ATOM 0 H SER A 55 -10.746 -30.402 -7.551 1.00 5.33 H new ATOM 0 HA SER A 55 -9.108 -32.593 -8.368 1.00 53.50 H new ATOM 0 HB2 SER A 55 -9.652 -31.527 -10.290 1.00 24.32 H new ATOM 0 HB3 SER A 55 -10.130 -30.075 -9.433 1.00 24.32 H new ATOM 0 HG SER A 55 -8.324 -29.709 -10.840 1.00 44.21 H new ATOM 890 N LEU A 56 -7.711 -30.101 -6.803 1.00 21.01 N ATOM 891 CA LEU A 56 -6.471 -29.631 -6.194 1.00 71.24 C ATOM 892 C LEU A 56 -5.968 -30.621 -5.149 1.00 34.33 C ATOM 893 O LEU A 56 -4.828 -30.535 -4.694 1.00 3.51 O ATOM 894 CB LEU A 56 -6.683 -28.258 -5.554 1.00 24.54 C ATOM 895 CG LEU A 56 -6.084 -27.068 -6.304 1.00 34.01 C ATOM 896 CD1 LEU A 56 -4.573 -27.038 -6.138 1.00 41.53 C ATOM 897 CD2 LEU A 56 -6.460 -27.123 -7.777 1.00 52.15 C ATOM 0 H LEU A 56 -8.541 -29.577 -6.527 1.00 21.01 H new ATOM 0 HA LEU A 56 -5.719 -29.547 -6.978 1.00 71.24 H new ATOM 0 HB2 LEU A 56 -7.755 -28.091 -5.446 1.00 24.54 H new ATOM 0 HB3 LEU A 56 -6.261 -28.279 -4.549 1.00 24.54 H new ATOM 0 HG LEU A 56 -6.493 -26.151 -5.879 1.00 34.01 H new ATOM 0 HD11 LEU A 56 -4.164 -26.184 -6.679 1.00 41.53 H new ATOM 0 HD12 LEU A 56 -4.325 -26.950 -5.080 1.00 41.53 H new ATOM 0 HD13 LEU A 56 -4.145 -27.958 -6.536 1.00 41.53 H new ATOM 0 HD21 LEU A 56 -6.025 -26.268 -8.296 1.00 52.15 H new ATOM 0 HD22 LEU A 56 -6.080 -28.046 -8.215 1.00 52.15 H new ATOM 0 HD23 LEU A 56 -7.545 -27.094 -7.877 1.00 52.15 H new ATOM 909 N VAL A 57 -6.827 -31.564 -4.773 1.00 10.14 N ATOM 910 CA VAL A 57 -6.469 -32.573 -3.783 1.00 33.10 C ATOM 911 C VAL A 57 -6.650 -33.980 -4.342 1.00 53.33 C ATOM 912 O VAL A 57 -5.679 -34.644 -4.704 1.00 73.21 O ATOM 913 CB VAL A 57 -7.314 -32.429 -2.503 1.00 53.34 C ATOM 914 CG1 VAL A 57 -6.515 -31.736 -1.411 1.00 3.15 C ATOM 915 CG2 VAL A 57 -8.600 -31.670 -2.797 1.00 62.11 C ATOM 0 H VAL A 57 -7.775 -31.650 -5.139 1.00 10.14 H new ATOM 0 HA VAL A 57 -5.419 -32.415 -3.536 1.00 33.10 H new ATOM 0 HB VAL A 57 -7.579 -33.425 -2.149 1.00 53.34 H new ATOM 0 HG11 VAL A 57 -7.128 -31.643 -0.515 1.00 3.15 H new ATOM 0 HG12 VAL A 57 -5.625 -32.323 -1.183 1.00 3.15 H new ATOM 0 HG13 VAL A 57 -6.218 -30.744 -1.751 1.00 3.15 H new ATOM 0 HG21 VAL A 57 -9.185 -31.577 -1.882 1.00 62.11 H new ATOM 0 HG22 VAL A 57 -8.358 -30.677 -3.175 1.00 62.11 H new ATOM 0 HG23 VAL A 57 -9.179 -32.212 -3.545 1.00 62.11 H new ATOM 925 N TRP A 58 -7.899 -34.427 -4.411 1.00 1.33 N ATOM 926 CA TRP A 58 -8.208 -35.755 -4.927 1.00 65.50 C ATOM 927 C TRP A 58 -8.190 -35.765 -6.452 1.00 15.44 C ATOM 928 O TRP A 58 -7.249 -36.262 -7.068 1.00 31.23 O ATOM 929 CB TRP A 58 -9.573 -36.219 -4.417 1.00 52.31 C ATOM 930 CG TRP A 58 -10.011 -37.529 -4.998 1.00 22.21 C ATOM 931 CD1 TRP A 58 -11.158 -37.774 -5.697 1.00 12.40 C ATOM 932 CD2 TRP A 58 -9.308 -38.775 -4.928 1.00 15.14 C ATOM 933 NE1 TRP A 58 -11.212 -39.096 -6.066 1.00 25.25 N ATOM 934 CE2 TRP A 58 -10.088 -39.732 -5.606 1.00 53.34 C ATOM 935 CE3 TRP A 58 -8.096 -39.175 -4.359 1.00 51.23 C ATOM 936 CZ2 TRP A 58 -9.694 -41.061 -5.730 1.00 22.25 C ATOM 937 CZ3 TRP A 58 -7.706 -40.495 -4.482 1.00 52.21 C ATOM 938 CH2 TRP A 58 -8.502 -41.425 -5.163 1.00 73.14 C ATOM 0 H TRP A 58 -8.714 -33.889 -4.116 1.00 1.33 H new ATOM 0 HA TRP A 58 -7.442 -36.443 -4.569 1.00 65.50 H new ATOM 0 HB2 TRP A 58 -9.537 -36.306 -3.331 1.00 52.31 H new ATOM 0 HB3 TRP A 58 -10.318 -35.459 -4.651 1.00 52.31 H new ATOM 0 HD1 TRP A 58 -11.913 -37.036 -5.926 1.00 12.40 H new ATOM 0 HE1 TRP A 58 -11.966 -39.533 -6.596 1.00 25.25 H new ATOM 0 HE3 TRP A 58 -7.475 -38.465 -3.833 1.00 51.23 H new ATOM 0 HZ2 TRP A 58 -10.306 -41.779 -6.255 1.00 22.25 H new ATOM 0 HZ3 TRP A 58 -6.771 -40.815 -4.046 1.00 52.21 H new ATOM 0 HH2 TRP A 58 -8.169 -42.449 -5.242 1.00 73.14 H new ATOM 949 N ASN A 59 -9.238 -35.211 -7.054 1.00 43.22 N ATOM 950 CA ASN A 59 -9.342 -35.156 -8.508 1.00 33.02 C ATOM 951 C ASN A 59 -10.637 -34.471 -8.935 1.00 32.44 C ATOM 952 O ASN A 59 -11.383 -33.957 -8.102 1.00 30.34 O ATOM 953 CB ASN A 59 -9.279 -36.566 -9.098 1.00 72.20 C ATOM 954 CG ASN A 59 -8.391 -36.640 -10.325 1.00 22.32 C ATOM 955 OD1 ASN A 59 -7.273 -36.125 -10.327 1.00 42.13 O ATOM 956 ND2 ASN A 59 -8.886 -37.284 -11.376 1.00 0.43 N ATOM 0 H ASN A 59 -10.026 -34.794 -6.558 1.00 43.22 H new ATOM 0 HA ASN A 59 -8.502 -34.573 -8.886 1.00 33.02 H new ATOM 0 HB2 ASN A 59 -8.907 -37.257 -8.342 1.00 72.20 H new ATOM 0 HB3 ASN A 59 -10.285 -36.892 -9.361 1.00 72.20 H new ATOM 0 HD21 ASN A 59 -8.334 -37.367 -12.230 1.00 0.43 H new ATOM 0 HD22 ASN A 59 -9.818 -37.696 -11.329 1.00 0.43 H new ATOM 963 N MET A 60 -10.898 -34.470 -10.238 1.00 5.21 N ATOM 964 CA MET A 60 -12.103 -33.850 -10.775 1.00 74.21 C ATOM 965 C MET A 60 -12.862 -34.824 -11.670 1.00 75.35 C ATOM 966 O MET A 60 -12.594 -34.920 -12.867 1.00 50.32 O ATOM 967 CB MET A 60 -11.747 -32.588 -11.562 1.00 45.14 C ATOM 968 CG MET A 60 -10.556 -32.767 -12.491 1.00 55.01 C ATOM 969 SD MET A 60 -10.091 -31.238 -13.327 1.00 34.52 S ATOM 970 CE MET A 60 -8.780 -31.824 -14.398 1.00 13.53 C ATOM 0 H MET A 60 -10.291 -34.892 -10.941 1.00 5.21 H new ATOM 0 HA MET A 60 -12.745 -33.577 -9.937 1.00 74.21 H new ATOM 0 HB2 MET A 60 -12.612 -32.279 -12.149 1.00 45.14 H new ATOM 0 HB3 MET A 60 -11.533 -31.781 -10.861 1.00 45.14 H new ATOM 0 HG2 MET A 60 -9.706 -33.136 -11.918 1.00 55.01 H new ATOM 0 HG3 MET A 60 -10.792 -33.527 -13.236 1.00 55.01 H new ATOM 0 HE1 MET A 60 -8.388 -30.992 -14.983 1.00 13.53 H new ATOM 0 HE2 MET A 60 -7.980 -32.251 -13.793 1.00 13.53 H new ATOM 0 HE3 MET A 60 -9.173 -32.586 -15.071 1.00 13.53 H new ATOM 980 N ASN A 61 -13.811 -35.546 -11.082 1.00 50.20 N ATOM 981 CA ASN A 61 -14.608 -36.513 -11.827 1.00 72.41 C ATOM 982 C ASN A 61 -15.964 -35.924 -12.206 1.00 64.55 C ATOM 983 O ASN A 61 -16.959 -36.642 -12.304 1.00 71.41 O ATOM 984 CB ASN A 61 -14.806 -37.786 -11.001 1.00 62.35 C ATOM 985 CG ASN A 61 -13.530 -38.596 -10.873 1.00 60.14 C ATOM 986 OD1 ASN A 61 -12.850 -38.865 -11.864 1.00 34.41 O ATOM 987 ND2 ASN A 61 -13.199 -38.989 -9.649 1.00 12.23 N ATOM 0 H ASN A 61 -14.046 -35.479 -10.092 1.00 50.20 H new ATOM 0 HA ASN A 61 -14.071 -36.761 -12.742 1.00 72.41 H new ATOM 0 HB2 ASN A 61 -15.165 -37.519 -10.007 1.00 62.35 H new ATOM 0 HB3 ASN A 61 -15.578 -38.400 -11.464 1.00 62.35 H new ATOM 0 HD21 ASN A 61 -12.351 -39.537 -9.501 1.00 12.23 H new ATOM 0 HD22 ASN A 61 -13.792 -38.743 -8.857 1.00 12.23 H new ATOM 994 N PHE A 62 -15.994 -34.613 -12.420 1.00 20.22 N ATOM 995 CA PHE A 62 -17.227 -33.927 -12.788 1.00 42.03 C ATOM 996 C PHE A 62 -18.318 -34.176 -11.752 1.00 14.34 C ATOM 997 O PHE A 62 -19.509 -34.098 -12.057 1.00 24.21 O ATOM 998 CB PHE A 62 -17.702 -34.391 -14.167 1.00 25.42 C ATOM 999 CG PHE A 62 -16.930 -33.783 -15.303 1.00 12.31 C ATOM 1000 CD1 PHE A 62 -16.907 -32.409 -15.485 1.00 22.44 C ATOM 1001 CD2 PHE A 62 -16.229 -34.584 -16.189 1.00 70.24 C ATOM 1002 CE1 PHE A 62 -16.198 -31.846 -16.529 1.00 23.02 C ATOM 1003 CE2 PHE A 62 -15.518 -34.026 -17.235 1.00 61.51 C ATOM 1004 CZ PHE A 62 -15.503 -32.656 -17.406 1.00 12.12 C ATOM 0 H PHE A 62 -15.179 -34.004 -12.345 1.00 20.22 H new ATOM 0 HA PHE A 62 -17.021 -32.857 -12.823 1.00 42.03 H new ATOM 0 HB2 PHE A 62 -17.622 -35.477 -14.224 1.00 25.42 H new ATOM 0 HB3 PHE A 62 -18.757 -34.143 -14.281 1.00 25.42 H new ATOM 0 HD1 PHE A 62 -17.449 -31.771 -14.803 1.00 22.44 H new ATOM 0 HD2 PHE A 62 -16.238 -35.656 -16.061 1.00 70.24 H new ATOM 0 HE1 PHE A 62 -16.187 -30.774 -16.659 1.00 23.02 H new ATOM 0 HE2 PHE A 62 -14.974 -34.662 -17.918 1.00 61.51 H new ATOM 0 HZ PHE A 62 -14.949 -32.219 -18.224 1.00 12.12 H new ATOM 1014 N ASP A 63 -17.904 -34.475 -10.526 1.00 31.25 N ATOM 1015 CA ASP A 63 -18.846 -34.735 -9.443 1.00 25.15 C ATOM 1016 C ASP A 63 -18.225 -34.397 -8.090 1.00 71.44 C ATOM 1017 O ASP A 63 -17.083 -33.945 -8.016 1.00 43.12 O ATOM 1018 CB ASP A 63 -19.288 -36.199 -9.463 1.00 71.02 C ATOM 1019 CG ASP A 63 -20.398 -36.454 -10.464 1.00 32.24 C ATOM 1020 OD1 ASP A 63 -21.501 -35.897 -10.281 1.00 24.23 O ATOM 1021 OD2 ASP A 63 -20.165 -37.212 -11.429 1.00 1.40 O ATOM 0 H ASP A 63 -16.923 -34.543 -10.257 1.00 31.25 H new ATOM 0 HA ASP A 63 -19.718 -34.098 -9.592 1.00 25.15 H new ATOM 0 HB2 ASP A 63 -18.433 -36.831 -9.704 1.00 71.02 H new ATOM 0 HB3 ASP A 63 -19.627 -36.487 -8.468 1.00 71.02 H new ATOM 1026 N SER A 64 -18.986 -34.619 -7.024 1.00 33.43 N ATOM 1027 CA SER A 64 -18.513 -34.334 -5.674 1.00 72.02 C ATOM 1028 C SER A 64 -18.122 -35.620 -4.952 1.00 51.04 C ATOM 1029 O SER A 64 -18.950 -36.508 -4.750 1.00 74.14 O ATOM 1030 CB SER A 64 -19.592 -33.597 -4.878 1.00 43.31 C ATOM 1031 OG SER A 64 -19.551 -33.958 -3.508 1.00 43.53 O ATOM 0 H SER A 64 -19.933 -34.995 -7.068 1.00 33.43 H new ATOM 0 HA SER A 64 -17.631 -33.699 -5.751 1.00 72.02 H new ATOM 0 HB2 SER A 64 -19.451 -32.521 -4.978 1.00 43.31 H new ATOM 0 HB3 SER A 64 -20.574 -33.829 -5.289 1.00 43.31 H new ATOM 0 HG SER A 64 -20.341 -34.494 -3.287 1.00 43.53 H new ATOM 1037 N ASP A 65 -16.854 -35.712 -4.566 1.00 53.22 N ATOM 1038 CA ASP A 65 -16.352 -36.888 -3.866 1.00 3.03 C ATOM 1039 C ASP A 65 -16.749 -36.855 -2.393 1.00 51.43 C ATOM 1040 O ASP A 65 -16.076 -36.232 -1.571 1.00 31.32 O ATOM 1041 CB ASP A 65 -14.830 -36.973 -3.994 1.00 70.03 C ATOM 1042 CG ASP A 65 -14.367 -36.912 -5.437 1.00 4.05 C ATOM 1043 OD1 ASP A 65 -14.261 -35.792 -5.979 1.00 54.04 O ATOM 1044 OD2 ASP A 65 -14.108 -37.984 -6.022 1.00 72.01 O ATOM 0 H ASP A 65 -16.155 -34.986 -4.726 1.00 53.22 H new ATOM 0 HA ASP A 65 -16.798 -37.771 -4.325 1.00 3.03 H new ATOM 0 HB2 ASP A 65 -14.375 -36.156 -3.434 1.00 70.03 H new ATOM 0 HB3 ASP A 65 -14.481 -37.902 -3.542 1.00 70.03 H new ATOM 1049 N THR A 66 -17.848 -37.528 -2.067 1.00 12.44 N ATOM 1050 CA THR A 66 -18.337 -37.573 -0.694 1.00 61.34 C ATOM 1051 C THR A 66 -18.235 -36.206 -0.029 1.00 0.24 C ATOM 1052 O THR A 66 -17.978 -36.107 1.170 1.00 1.53 O ATOM 1053 CB THR A 66 -17.555 -38.601 0.146 1.00 14.54 C ATOM 1054 OG1 THR A 66 -18.154 -38.731 1.441 1.00 43.03 O ATOM 1055 CG2 THR A 66 -16.100 -38.183 0.295 1.00 60.44 C ATOM 0 H THR A 66 -18.416 -38.049 -2.735 1.00 12.44 H new ATOM 0 HA THR A 66 -19.384 -37.873 -0.740 1.00 61.34 H new ATOM 0 HB THR A 66 -17.590 -39.561 -0.369 1.00 14.54 H new ATOM 0 HG1 THR A 66 -18.325 -37.841 1.813 1.00 43.03 H new ATOM 0 HG21 THR A 66 -15.568 -38.924 0.892 1.00 60.44 H new ATOM 0 HG22 THR A 66 -15.639 -38.112 -0.690 1.00 60.44 H new ATOM 0 HG23 THR A 66 -16.049 -37.213 0.790 1.00 60.44 H new ATOM 1063 N ASN A 67 -18.439 -35.154 -0.814 1.00 51.54 N ATOM 1064 CA ASN A 67 -18.370 -33.791 -0.300 1.00 12.40 C ATOM 1065 C ASN A 67 -17.157 -33.612 0.608 1.00 62.45 C ATOM 1066 O ASN A 67 -17.232 -32.943 1.638 1.00 24.11 O ATOM 1067 CB ASN A 67 -19.649 -33.447 0.466 1.00 31.45 C ATOM 1068 CG ASN A 67 -20.890 -34.016 -0.195 1.00 3.11 C ATOM 1069 OD1 ASN A 67 -21.378 -35.079 0.187 1.00 34.32 O ATOM 1070 ND2 ASN A 67 -21.405 -33.308 -1.193 1.00 51.31 N ATOM 0 H ASN A 67 -18.654 -35.219 -1.809 1.00 51.54 H new ATOM 0 HA ASN A 67 -18.269 -33.115 -1.149 1.00 12.40 H new ATOM 0 HB2 ASN A 67 -19.574 -33.831 1.483 1.00 31.45 H new ATOM 0 HB3 ASN A 67 -19.745 -32.364 0.540 1.00 31.45 H new ATOM 0 HD21 ASN A 67 -22.239 -33.640 -1.677 1.00 51.31 H new ATOM 0 HD22 ASN A 67 -20.967 -32.432 -1.476 1.00 51.31 H new ATOM 1077 N VAL A 68 -16.039 -34.216 0.217 1.00 44.23 N ATOM 1078 CA VAL A 68 -14.808 -34.123 0.993 1.00 11.23 C ATOM 1079 C VAL A 68 -14.405 -32.669 1.212 1.00 43.03 C ATOM 1080 O VAL A 68 -13.701 -32.347 2.170 1.00 54.32 O ATOM 1081 CB VAL A 68 -13.650 -34.867 0.302 1.00 74.11 C ATOM 1082 CG1 VAL A 68 -13.412 -34.307 -1.092 1.00 10.40 C ATOM 1083 CG2 VAL A 68 -12.386 -34.783 1.143 1.00 44.21 C ATOM 0 H VAL A 68 -15.961 -34.775 -0.633 1.00 44.23 H new ATOM 0 HA VAL A 68 -15.006 -34.591 1.957 1.00 11.23 H new ATOM 0 HB VAL A 68 -13.923 -35.918 0.203 1.00 74.11 H new ATOM 0 HG11 VAL A 68 -12.590 -34.845 -1.565 1.00 10.40 H new ATOM 0 HG12 VAL A 68 -14.315 -34.425 -1.691 1.00 10.40 H new ATOM 0 HG13 VAL A 68 -13.160 -33.249 -1.021 1.00 10.40 H new ATOM 0 HG21 VAL A 68 -11.578 -35.314 0.640 1.00 44.21 H new ATOM 0 HG22 VAL A 68 -12.106 -33.738 1.276 1.00 44.21 H new ATOM 0 HG23 VAL A 68 -12.567 -35.237 2.117 1.00 44.21 H new ATOM 1093 N ILE A 69 -14.855 -31.795 0.318 1.00 63.24 N ATOM 1094 CA ILE A 69 -14.542 -30.375 0.414 1.00 42.23 C ATOM 1095 C ILE A 69 -15.260 -29.733 1.596 1.00 42.52 C ATOM 1096 O ILE A 69 -14.627 -29.154 2.479 1.00 13.15 O ATOM 1097 CB ILE A 69 -14.927 -29.625 -0.875 1.00 61.03 C ATOM 1098 CG1 ILE A 69 -14.332 -30.328 -2.097 1.00 43.22 C ATOM 1099 CG2 ILE A 69 -14.457 -28.180 -0.808 1.00 10.43 C ATOM 1100 CD1 ILE A 69 -12.829 -30.489 -2.029 1.00 72.30 C ATOM 0 H ILE A 69 -15.438 -32.046 -0.481 1.00 63.24 H new ATOM 0 HA ILE A 69 -13.465 -30.299 0.561 1.00 42.23 H new ATOM 0 HB ILE A 69 -16.013 -29.629 -0.969 1.00 61.03 H new ATOM 0 HG12 ILE A 69 -14.790 -31.312 -2.199 1.00 43.22 H new ATOM 0 HG13 ILE A 69 -14.589 -29.762 -2.993 1.00 43.22 H new ATOM 0 HG21 ILE A 69 -14.737 -27.663 -1.726 1.00 10.43 H new ATOM 0 HG22 ILE A 69 -14.924 -27.685 0.043 1.00 10.43 H new ATOM 0 HG23 ILE A 69 -13.373 -28.155 -0.693 1.00 10.43 H new ATOM 0 HD11 ILE A 69 -12.476 -30.995 -2.928 1.00 72.30 H new ATOM 0 HD12 ILE A 69 -12.361 -29.507 -1.958 1.00 72.30 H new ATOM 0 HD13 ILE A 69 -12.566 -31.081 -1.152 1.00 72.30 H new ATOM 1112 N ASP A 70 -16.584 -29.840 1.606 1.00 2.00 N ATOM 1113 CA ASP A 70 -17.389 -29.272 2.681 1.00 23.24 C ATOM 1114 C ASP A 70 -17.087 -29.962 4.008 1.00 3.43 C ATOM 1115 O ASP A 70 -17.244 -29.371 5.077 1.00 53.22 O ATOM 1116 CB ASP A 70 -18.877 -29.398 2.354 1.00 34.41 C ATOM 1117 CG ASP A 70 -19.762 -28.962 3.505 1.00 13.31 C ATOM 1118 OD1 ASP A 70 -19.390 -27.999 4.208 1.00 2.21 O ATOM 1119 OD2 ASP A 70 -20.828 -29.582 3.702 1.00 23.33 O ATOM 0 H ASP A 70 -17.123 -30.315 0.882 1.00 2.00 H new ATOM 0 HA ASP A 70 -17.134 -28.216 2.774 1.00 23.24 H new ATOM 0 HB2 ASP A 70 -19.105 -28.795 1.475 1.00 34.41 H new ATOM 0 HB3 ASP A 70 -19.103 -30.433 2.097 1.00 34.41 H new ATOM 1124 N VAL A 71 -16.653 -31.216 3.933 1.00 43.24 N ATOM 1125 CA VAL A 71 -16.329 -31.986 5.127 1.00 24.03 C ATOM 1126 C VAL A 71 -14.980 -31.567 5.702 1.00 60.50 C ATOM 1127 O VAL A 71 -14.810 -31.488 6.918 1.00 1.51 O ATOM 1128 CB VAL A 71 -16.301 -33.497 4.831 1.00 72.24 C ATOM 1129 CG1 VAL A 71 -15.894 -34.278 6.071 1.00 15.21 C ATOM 1130 CG2 VAL A 71 -17.655 -33.964 4.317 1.00 10.51 C ATOM 0 H VAL A 71 -16.518 -31.720 3.057 1.00 43.24 H new ATOM 0 HA VAL A 71 -17.112 -31.781 5.857 1.00 24.03 H new ATOM 0 HB VAL A 71 -15.559 -33.683 4.055 1.00 72.24 H new ATOM 0 HG11 VAL A 71 -15.880 -35.344 5.842 1.00 15.21 H new ATOM 0 HG12 VAL A 71 -14.901 -33.962 6.390 1.00 15.21 H new ATOM 0 HG13 VAL A 71 -16.609 -34.089 6.871 1.00 15.21 H new ATOM 0 HG21 VAL A 71 -17.617 -35.034 4.113 1.00 10.51 H new ATOM 0 HG22 VAL A 71 -18.418 -33.765 5.069 1.00 10.51 H new ATOM 0 HG23 VAL A 71 -17.901 -33.428 3.400 1.00 10.51 H new ATOM 1140 N ALA A 72 -14.024 -31.301 4.818 1.00 4.25 N ATOM 1141 CA ALA A 72 -12.690 -30.888 5.238 1.00 51.34 C ATOM 1142 C ALA A 72 -12.725 -29.520 5.911 1.00 34.11 C ATOM 1143 O ALA A 72 -12.004 -29.274 6.878 1.00 33.32 O ATOM 1144 CB ALA A 72 -11.745 -30.867 4.045 1.00 0.24 C ATOM 0 H ALA A 72 -14.148 -31.364 3.808 1.00 4.25 H new ATOM 0 HA ALA A 72 -12.324 -31.612 5.966 1.00 51.34 H new ATOM 0 HB1 ALA A 72 -10.753 -30.557 4.372 1.00 0.24 H new ATOM 0 HB2 ALA A 72 -11.688 -31.864 3.608 1.00 0.24 H new ATOM 0 HB3 ALA A 72 -12.117 -30.165 3.299 1.00 0.24 H new ATOM 1150 N VAL A 73 -13.568 -28.632 5.393 1.00 33.14 N ATOM 1151 CA VAL A 73 -13.698 -27.289 5.945 1.00 2.22 C ATOM 1152 C VAL A 73 -14.517 -27.299 7.231 1.00 60.42 C ATOM 1153 O VAL A 73 -14.242 -26.541 8.161 1.00 44.13 O ATOM 1154 CB VAL A 73 -14.357 -26.329 4.937 1.00 33.10 C ATOM 1155 CG1 VAL A 73 -15.756 -26.808 4.580 1.00 13.14 C ATOM 1156 CG2 VAL A 73 -14.395 -24.914 5.495 1.00 32.52 C ATOM 0 H VAL A 73 -14.171 -28.819 4.592 1.00 33.14 H new ATOM 0 HA VAL A 73 -12.689 -26.938 6.163 1.00 2.22 H new ATOM 0 HB VAL A 73 -13.759 -26.319 4.026 1.00 33.10 H new ATOM 0 HG11 VAL A 73 -16.206 -26.117 3.867 1.00 13.14 H new ATOM 0 HG12 VAL A 73 -15.698 -27.802 4.136 1.00 13.14 H new ATOM 0 HG13 VAL A 73 -16.368 -26.849 5.481 1.00 13.14 H new ATOM 0 HG21 VAL A 73 -14.864 -24.249 4.769 1.00 32.52 H new ATOM 0 HG22 VAL A 73 -14.970 -24.903 6.421 1.00 32.52 H new ATOM 0 HG23 VAL A 73 -13.379 -24.574 5.695 1.00 32.52 H new ATOM 1166 N ARG A 74 -15.525 -28.164 7.277 1.00 61.44 N ATOM 1167 CA ARG A 74 -16.385 -28.274 8.448 1.00 14.45 C ATOM 1168 C ARG A 74 -15.663 -28.986 9.589 1.00 55.14 C ATOM 1169 O ARG A 74 -15.783 -28.597 10.751 1.00 65.33 O ATOM 1170 CB ARG A 74 -17.670 -29.025 8.096 1.00 54.02 C ATOM 1171 CG ARG A 74 -18.677 -28.183 7.329 1.00 71.32 C ATOM 1172 CD ARG A 74 -19.572 -27.391 8.269 1.00 44.40 C ATOM 1173 NE ARG A 74 -20.627 -28.218 8.848 1.00 42.21 N ATOM 1174 CZ ARG A 74 -21.674 -28.661 8.161 1.00 42.32 C ATOM 1175 NH1 ARG A 74 -21.805 -28.358 6.877 1.00 45.43 N ATOM 1176 NH2 ARG A 74 -22.593 -29.409 8.758 1.00 45.00 N ATOM 0 H ARG A 74 -15.766 -28.799 6.516 1.00 61.44 H new ATOM 0 HA ARG A 74 -16.640 -27.266 8.775 1.00 14.45 H new ATOM 0 HB2 ARG A 74 -17.416 -29.903 7.502 1.00 54.02 H new ATOM 0 HB3 ARG A 74 -18.134 -29.384 9.015 1.00 54.02 H new ATOM 0 HG2 ARG A 74 -18.150 -27.499 6.664 1.00 71.32 H new ATOM 0 HG3 ARG A 74 -19.289 -28.829 6.700 1.00 71.32 H new ATOM 0 HD2 ARG A 74 -18.968 -26.962 9.069 1.00 44.40 H new ATOM 0 HD3 ARG A 74 -20.021 -26.559 7.727 1.00 44.40 H new ATOM 0 HE ARG A 74 -20.556 -28.469 9.834 1.00 42.21 H new ATOM 0 HH11 ARG A 74 -21.101 -27.783 6.414 1.00 45.43 H new ATOM 0 HH12 ARG A 74 -22.610 -28.700 6.352 1.00 45.43 H new ATOM 0 HH21 ARG A 74 -22.496 -29.644 9.746 1.00 45.00 H new ATOM 0 HH22 ARG A 74 -23.396 -29.748 8.229 1.00 45.00 H new ATOM 1190 N ARG A 75 -14.916 -30.030 9.248 1.00 63.34 N ATOM 1191 CA ARG A 75 -14.176 -30.798 10.242 1.00 13.24 C ATOM 1192 C ARG A 75 -13.058 -29.959 10.855 1.00 72.30 C ATOM 1193 O ARG A 75 -12.810 -30.021 12.060 1.00 62.41 O ATOM 1194 CB ARG A 75 -13.592 -32.063 9.611 1.00 51.22 C ATOM 1195 CG ARG A 75 -12.433 -31.792 8.665 1.00 34.01 C ATOM 1196 CD ARG A 75 -11.915 -33.076 8.037 1.00 73.30 C ATOM 1197 NE ARG A 75 -11.489 -34.045 9.044 1.00 41.34 N ATOM 1198 CZ ARG A 75 -10.312 -33.997 9.658 1.00 51.52 C ATOM 1199 NH1 ARG A 75 -9.449 -33.032 9.370 1.00 72.04 N ATOM 1200 NH2 ARG A 75 -9.997 -34.914 10.563 1.00 65.22 N ATOM 0 H ARG A 75 -14.807 -30.364 8.290 1.00 63.34 H new ATOM 0 HA ARG A 75 -14.869 -31.083 11.033 1.00 13.24 H new ATOM 0 HB2 ARG A 75 -13.255 -32.732 10.403 1.00 51.22 H new ATOM 0 HB3 ARG A 75 -14.380 -32.585 9.067 1.00 51.22 H new ATOM 0 HG2 ARG A 75 -12.754 -31.106 7.881 1.00 34.01 H new ATOM 0 HG3 ARG A 75 -11.626 -31.300 9.208 1.00 34.01 H new ATOM 0 HD2 ARG A 75 -12.696 -33.517 7.417 1.00 73.30 H new ATOM 0 HD3 ARG A 75 -11.077 -32.845 7.379 1.00 73.30 H new ATOM 0 HE ARG A 75 -12.130 -34.799 9.289 1.00 41.34 H new ATOM 0 HH11 ARG A 75 -9.688 -32.324 8.676 1.00 72.04 H new ATOM 0 HH12 ARG A 75 -8.546 -32.998 9.843 1.00 72.04 H new ATOM 0 HH21 ARG A 75 -10.659 -35.657 10.788 1.00 65.22 H new ATOM 0 HH22 ARG A 75 -9.093 -34.876 11.034 1.00 65.22 H new ATOM 1214 N LEU A 76 -12.387 -29.176 10.018 1.00 64.40 N ATOM 1215 CA LEU A 76 -11.294 -28.325 10.476 1.00 31.35 C ATOM 1216 C LEU A 76 -11.825 -27.149 11.289 1.00 3.24 C ATOM 1217 O LEU A 76 -11.181 -26.695 12.235 1.00 10.45 O ATOM 1218 CB LEU A 76 -10.486 -27.812 9.283 1.00 22.34 C ATOM 1219 CG LEU A 76 -10.912 -26.458 8.716 1.00 14.12 C ATOM 1220 CD1 LEU A 76 -10.314 -25.324 9.534 1.00 24.10 C ATOM 1221 CD2 LEU A 76 -10.503 -26.338 7.255 1.00 22.45 C ATOM 0 H LEU A 76 -12.580 -29.113 9.019 1.00 64.40 H new ATOM 0 HA LEU A 76 -10.645 -28.922 11.116 1.00 31.35 H new ATOM 0 HB2 LEU A 76 -9.439 -27.746 9.580 1.00 22.34 H new ATOM 0 HB3 LEU A 76 -10.545 -28.552 8.485 1.00 22.34 H new ATOM 0 HG LEU A 76 -11.998 -26.387 8.775 1.00 14.12 H new ATOM 0 HD11 LEU A 76 -10.628 -24.368 9.115 1.00 24.10 H new ATOM 0 HD12 LEU A 76 -10.658 -25.399 10.566 1.00 24.10 H new ATOM 0 HD13 LEU A 76 -9.226 -25.391 9.508 1.00 24.10 H new ATOM 0 HD21 LEU A 76 -10.815 -25.368 6.868 1.00 22.45 H new ATOM 0 HD22 LEU A 76 -9.420 -26.431 7.171 1.00 22.45 H new ATOM 0 HD23 LEU A 76 -10.981 -27.129 6.677 1.00 22.45 H new ATOM 1233 N ARG A 77 -13.003 -26.661 10.915 1.00 32.33 N ATOM 1234 CA ARG A 77 -13.621 -25.538 11.610 1.00 21.43 C ATOM 1235 C ARG A 77 -13.928 -25.899 13.061 1.00 64.11 C ATOM 1236 O ARG A 77 -13.607 -25.145 13.980 1.00 71.05 O ATOM 1237 CB ARG A 77 -14.906 -25.114 10.897 1.00 43.24 C ATOM 1238 CG ARG A 77 -15.422 -23.751 11.330 1.00 25.43 C ATOM 1239 CD ARG A 77 -16.599 -23.879 12.284 1.00 22.42 C ATOM 1240 NE ARG A 77 -17.805 -24.346 11.606 1.00 40.34 N ATOM 1241 CZ ARG A 77 -18.960 -24.561 12.225 1.00 31.31 C ATOM 1242 NH1 ARG A 77 -19.065 -24.353 13.530 1.00 30.13 N ATOM 1243 NH2 ARG A 77 -20.013 -24.986 11.539 1.00 54.42 N ATOM 0 H ARG A 77 -13.549 -27.026 10.134 1.00 32.33 H new ATOM 0 HA ARG A 77 -12.917 -24.706 11.601 1.00 21.43 H new ATOM 0 HB2 ARG A 77 -14.727 -25.101 9.822 1.00 43.24 H new ATOM 0 HB3 ARG A 77 -15.678 -25.861 11.083 1.00 43.24 H new ATOM 0 HG2 ARG A 77 -14.620 -23.193 11.813 1.00 25.43 H new ATOM 0 HG3 ARG A 77 -15.724 -23.179 10.452 1.00 25.43 H new ATOM 0 HD2 ARG A 77 -16.342 -24.572 13.085 1.00 22.42 H new ATOM 0 HD3 ARG A 77 -16.796 -22.913 12.749 1.00 22.42 H new ATOM 0 HE ARG A 77 -17.758 -24.516 10.601 1.00 40.34 H new ATOM 0 HH11 ARG A 77 -18.257 -24.027 14.061 1.00 30.13 H new ATOM 0 HH12 ARG A 77 -19.953 -24.519 14.003 1.00 30.13 H new ATOM 0 HH21 ARG A 77 -19.936 -25.148 10.535 1.00 54.42 H new ATOM 0 HH22 ARG A 77 -20.900 -25.151 12.016 1.00 54.42 H new ATOM 1257 N SER A 78 -14.551 -27.056 13.259 1.00 64.45 N ATOM 1258 CA SER A 78 -14.905 -27.515 14.597 1.00 64.24 C ATOM 1259 C SER A 78 -13.711 -28.179 15.277 1.00 10.50 C ATOM 1260 O SER A 78 -13.829 -28.719 16.377 1.00 74.53 O ATOM 1261 CB SER A 78 -16.077 -28.496 14.529 1.00 12.40 C ATOM 1262 OG SER A 78 -16.201 -29.054 13.232 1.00 13.53 O ATOM 0 H SER A 78 -14.821 -27.693 12.510 1.00 64.45 H new ATOM 0 HA SER A 78 -15.200 -26.647 15.186 1.00 64.24 H new ATOM 0 HB2 SER A 78 -15.931 -29.293 15.259 1.00 12.40 H new ATOM 0 HB3 SER A 78 -17.001 -27.983 14.797 1.00 12.40 H new ATOM 0 HG SER A 78 -16.956 -29.678 13.215 1.00 13.53 H new ATOM 1268 N LYS A 79 -12.560 -28.133 14.615 1.00 50.13 N ATOM 1269 CA LYS A 79 -11.343 -28.727 15.154 1.00 64.35 C ATOM 1270 C LYS A 79 -10.564 -27.713 15.986 1.00 73.41 C ATOM 1271 O LYS A 79 -10.038 -28.043 17.050 1.00 54.25 O ATOM 1272 CB LYS A 79 -10.462 -29.254 14.018 1.00 31.32 C ATOM 1273 CG LYS A 79 -10.561 -30.757 13.819 1.00 3.13 C ATOM 1274 CD LYS A 79 -9.827 -31.203 12.566 1.00 43.22 C ATOM 1275 CE LYS A 79 -9.294 -32.620 12.707 1.00 64.34 C ATOM 1276 NZ LYS A 79 -8.313 -32.736 13.821 1.00 45.20 N ATOM 0 H LYS A 79 -12.445 -27.690 13.703 1.00 50.13 H new ATOM 0 HA LYS A 79 -11.629 -29.557 15.800 1.00 64.35 H new ATOM 0 HB2 LYS A 79 -10.742 -28.754 13.091 1.00 31.32 H new ATOM 0 HB3 LYS A 79 -9.424 -28.990 14.222 1.00 31.32 H new ATOM 0 HG2 LYS A 79 -10.145 -31.268 14.687 1.00 3.13 H new ATOM 0 HG3 LYS A 79 -11.609 -31.048 13.751 1.00 3.13 H new ATOM 0 HD2 LYS A 79 -10.500 -31.150 11.710 1.00 43.22 H new ATOM 0 HD3 LYS A 79 -9.001 -30.521 12.365 1.00 43.22 H new ATOM 0 HE2 LYS A 79 -10.124 -33.304 12.882 1.00 64.34 H new ATOM 0 HE3 LYS A 79 -8.821 -32.924 11.773 1.00 64.34 H new ATOM 0 HZ1 LYS A 79 -7.614 -33.471 13.593 1.00 45.20 H new ATOM 0 HZ2 LYS A 79 -7.828 -31.826 13.952 1.00 45.20 H new ATOM 0 HZ3 LYS A 79 -8.811 -32.992 14.697 1.00 45.20 H new ATOM 1290 N ILE A 80 -10.496 -26.480 15.496 1.00 73.20 N ATOM 1291 CA ILE A 80 -9.784 -25.419 16.197 1.00 55.44 C ATOM 1292 C ILE A 80 -10.626 -24.149 16.271 1.00 21.04 C ATOM 1293 O ILE A 80 -10.726 -23.519 17.325 1.00 60.53 O ATOM 1294 CB ILE A 80 -8.444 -25.093 15.512 1.00 2.22 C ATOM 1295 CG1 ILE A 80 -7.780 -23.892 16.188 1.00 4.35 C ATOM 1296 CG2 ILE A 80 -8.658 -24.822 14.030 1.00 24.05 C ATOM 1297 CD1 ILE A 80 -7.522 -24.096 17.665 1.00 45.01 C ATOM 0 H ILE A 80 -10.925 -26.191 14.617 1.00 73.20 H new ATOM 0 HA ILE A 80 -9.588 -25.783 17.206 1.00 55.44 H new ATOM 0 HB ILE A 80 -7.783 -25.954 15.612 1.00 2.22 H new ATOM 0 HG12 ILE A 80 -6.835 -23.681 15.688 1.00 4.35 H new ATOM 0 HG13 ILE A 80 -8.413 -23.015 16.056 1.00 4.35 H new ATOM 0 HG21 ILE A 80 -7.701 -24.593 13.560 1.00 24.05 H new ATOM 0 HG22 ILE A 80 -9.093 -25.703 13.558 1.00 24.05 H new ATOM 0 HG23 ILE A 80 -9.334 -23.975 13.909 1.00 24.05 H new ATOM 0 HD11 ILE A 80 -7.050 -23.205 18.078 1.00 45.01 H new ATOM 0 HD12 ILE A 80 -8.467 -24.277 18.178 1.00 45.01 H new ATOM 0 HD13 ILE A 80 -6.863 -24.953 17.804 1.00 45.01 H new ATOM 1309 N ASP A 81 -11.230 -23.780 15.148 1.00 54.43 N ATOM 1310 CA ASP A 81 -12.067 -22.586 15.086 1.00 65.42 C ATOM 1311 C ASP A 81 -13.279 -22.725 16.001 1.00 55.24 C ATOM 1312 O ASP A 81 -13.923 -21.735 16.348 1.00 14.33 O ATOM 1313 CB ASP A 81 -12.523 -22.331 13.648 1.00 23.34 C ATOM 1314 CG ASP A 81 -13.810 -21.533 13.583 1.00 42.24 C ATOM 1315 OD1 ASP A 81 -14.886 -22.120 13.823 1.00 3.11 O ATOM 1316 OD2 ASP A 81 -13.741 -20.321 13.291 1.00 11.44 O ATOM 0 H ASP A 81 -11.156 -24.290 14.268 1.00 54.43 H new ATOM 0 HA ASP A 81 -11.473 -21.737 15.426 1.00 65.42 H new ATOM 0 HB2 ASP A 81 -11.740 -21.796 13.111 1.00 23.34 H new ATOM 0 HB3 ASP A 81 -12.664 -23.285 13.140 1.00 23.34 H new ATOM 1321 N ASP A 82 -13.586 -23.959 16.386 1.00 43.33 N ATOM 1322 CA ASP A 82 -14.722 -24.227 17.260 1.00 25.02 C ATOM 1323 C ASP A 82 -14.674 -23.340 18.500 1.00 11.13 C ATOM 1324 O ASP A 82 -15.711 -22.982 19.060 1.00 43.24 O ATOM 1325 CB ASP A 82 -14.739 -25.700 17.672 1.00 43.11 C ATOM 1326 CG ASP A 82 -16.142 -26.271 17.722 1.00 53.23 C ATOM 1327 OD1 ASP A 82 -16.928 -25.996 16.791 1.00 74.03 O ATOM 1328 OD2 ASP A 82 -16.454 -26.993 18.691 1.00 35.12 O ATOM 0 H ASP A 82 -13.064 -24.789 16.106 1.00 43.33 H new ATOM 0 HA ASP A 82 -15.635 -24.001 16.709 1.00 25.02 H new ATOM 0 HB2 ASP A 82 -14.140 -26.278 16.969 1.00 43.11 H new ATOM 0 HB3 ASP A 82 -14.272 -25.806 18.651 1.00 43.11 H new ATOM 1333 N ASP A 83 -13.465 -22.990 18.925 1.00 30.00 N ATOM 1334 CA ASP A 83 -13.282 -22.145 20.099 1.00 10.22 C ATOM 1335 C ASP A 83 -12.081 -21.221 19.922 1.00 53.32 C ATOM 1336 O ASP A 83 -11.242 -21.098 20.814 1.00 13.54 O ATOM 1337 CB ASP A 83 -13.098 -23.006 21.350 1.00 14.41 C ATOM 1338 CG ASP A 83 -13.502 -22.278 22.618 1.00 64.33 C ATOM 1339 OD1 ASP A 83 -14.393 -21.407 22.543 1.00 30.24 O ATOM 1340 OD2 ASP A 83 -12.925 -22.580 23.684 1.00 12.40 O ATOM 0 H ASP A 83 -12.597 -23.279 18.474 1.00 30.00 H new ATOM 0 HA ASP A 83 -14.175 -21.532 20.217 1.00 10.22 H new ATOM 0 HB2 ASP A 83 -13.691 -23.916 21.252 1.00 14.41 H new ATOM 0 HB3 ASP A 83 -12.055 -23.312 21.427 1.00 14.41 H new ATOM 1345 N PHE A 84 -12.005 -20.574 18.764 1.00 51.25 N ATOM 1346 CA PHE A 84 -10.906 -19.662 18.468 1.00 61.32 C ATOM 1347 C PHE A 84 -11.398 -18.457 17.672 1.00 40.11 C ATOM 1348 O PHE A 84 -11.077 -17.314 17.996 1.00 34.00 O ATOM 1349 CB PHE A 84 -9.808 -20.389 17.688 1.00 74.11 C ATOM 1350 CG PHE A 84 -8.626 -20.771 18.532 1.00 71.23 C ATOM 1351 CD1 PHE A 84 -8.733 -21.770 19.486 1.00 14.34 C ATOM 1352 CD2 PHE A 84 -7.407 -20.132 18.370 1.00 73.50 C ATOM 1353 CE1 PHE A 84 -7.647 -22.123 20.265 1.00 52.43 C ATOM 1354 CE2 PHE A 84 -6.317 -20.481 19.145 1.00 33.42 C ATOM 1355 CZ PHE A 84 -6.437 -21.479 20.093 1.00 14.40 C ATOM 0 H PHE A 84 -12.691 -20.664 18.015 1.00 51.25 H new ATOM 0 HA PHE A 84 -10.497 -19.307 19.414 1.00 61.32 H new ATOM 0 HB2 PHE A 84 -10.228 -21.288 17.237 1.00 74.11 H new ATOM 0 HB3 PHE A 84 -9.470 -19.751 16.871 1.00 74.11 H new ATOM 0 HD1 PHE A 84 -9.676 -22.279 19.623 1.00 14.34 H new ATOM 0 HD2 PHE A 84 -7.308 -19.352 17.629 1.00 73.50 H new ATOM 0 HE1 PHE A 84 -7.744 -22.901 21.007 1.00 52.43 H new ATOM 0 HE2 PHE A 84 -5.373 -19.974 19.010 1.00 33.42 H new ATOM 0 HZ PHE A 84 -5.586 -21.755 20.698 1.00 14.40 H new ATOM 1365 N GLU A 85 -12.178 -18.723 16.629 1.00 41.53 N ATOM 1366 CA GLU A 85 -12.713 -17.660 15.786 1.00 41.24 C ATOM 1367 C GLU A 85 -14.151 -17.963 15.375 1.00 31.01 C ATOM 1368 O GLU A 85 -14.607 -19.106 15.415 1.00 1.02 O ATOM 1369 CB GLU A 85 -11.843 -17.480 14.540 1.00 4.41 C ATOM 1370 CG GLU A 85 -11.253 -18.778 14.017 1.00 64.33 C ATOM 1371 CD GLU A 85 -11.207 -18.830 12.502 1.00 44.51 C ATOM 1372 OE1 GLU A 85 -11.363 -17.765 11.868 1.00 51.20 O ATOM 1373 OE2 GLU A 85 -11.015 -19.933 11.951 1.00 64.25 O ATOM 0 H GLU A 85 -12.453 -19.664 16.348 1.00 41.53 H new ATOM 0 HA GLU A 85 -12.705 -16.735 16.363 1.00 41.24 H new ATOM 0 HB2 GLU A 85 -12.441 -17.020 13.753 1.00 4.41 H new ATOM 0 HB3 GLU A 85 -11.032 -16.789 14.770 1.00 4.41 H new ATOM 0 HG2 GLU A 85 -10.244 -18.899 14.412 1.00 64.33 H new ATOM 0 HG3 GLU A 85 -11.843 -19.616 14.388 1.00 64.33 H new ATOM 1380 N PRO A 86 -14.884 -16.915 14.971 1.00 50.11 N ATOM 1381 CA PRO A 86 -16.281 -17.043 14.545 1.00 1.22 C ATOM 1382 C PRO A 86 -16.417 -17.776 13.215 1.00 43.31 C ATOM 1383 O PRO A 86 -15.447 -17.917 12.470 1.00 24.11 O ATOM 1384 CB PRO A 86 -16.744 -15.590 14.405 1.00 25.43 C ATOM 1385 CG PRO A 86 -15.497 -14.820 14.140 1.00 4.55 C ATOM 1386 CD PRO A 86 -14.405 -15.524 14.898 1.00 73.21 C ATOM 0 HA PRO A 86 -16.871 -17.626 15.252 1.00 1.22 H new ATOM 0 HB2 PRO A 86 -17.459 -15.479 13.590 1.00 25.43 H new ATOM 0 HB3 PRO A 86 -17.239 -15.243 15.312 1.00 25.43 H new ATOM 0 HG2 PRO A 86 -15.275 -14.792 13.073 1.00 4.55 H new ATOM 0 HG3 PRO A 86 -15.599 -13.787 14.472 1.00 4.55 H new ATOM 0 HD2 PRO A 86 -13.448 -15.455 14.381 1.00 73.21 H new ATOM 0 HD3 PRO A 86 -14.263 -15.095 15.890 1.00 73.21 H new ATOM 1394 N LYS A 87 -17.627 -18.240 12.921 1.00 25.04 N ATOM 1395 CA LYS A 87 -17.891 -18.957 11.680 1.00 62.23 C ATOM 1396 C LYS A 87 -17.603 -18.074 10.470 1.00 71.24 C ATOM 1397 O LYS A 87 -18.413 -17.221 10.104 1.00 72.41 O ATOM 1398 CB LYS A 87 -19.344 -19.435 11.642 1.00 53.31 C ATOM 1399 CG LYS A 87 -20.351 -18.347 11.974 1.00 42.33 C ATOM 1400 CD LYS A 87 -21.514 -18.346 10.996 1.00 44.34 C ATOM 1401 CE LYS A 87 -22.751 -17.701 11.602 1.00 70.44 C ATOM 1402 NZ LYS A 87 -24.002 -18.380 11.162 1.00 45.13 N ATOM 0 H LYS A 87 -18.441 -18.132 13.526 1.00 25.04 H new ATOM 0 HA LYS A 87 -17.230 -19.823 11.642 1.00 62.23 H new ATOM 0 HB2 LYS A 87 -19.562 -19.830 10.650 1.00 53.31 H new ATOM 0 HB3 LYS A 87 -19.466 -20.258 12.346 1.00 53.31 H new ATOM 0 HG2 LYS A 87 -20.726 -18.494 12.987 1.00 42.33 H new ATOM 0 HG3 LYS A 87 -19.858 -17.375 11.955 1.00 42.33 H new ATOM 0 HD2 LYS A 87 -21.229 -17.810 10.091 1.00 44.34 H new ATOM 0 HD3 LYS A 87 -21.744 -19.370 10.701 1.00 44.34 H new ATOM 0 HE2 LYS A 87 -22.683 -17.735 12.689 1.00 70.44 H new ATOM 0 HE3 LYS A 87 -22.789 -16.650 11.317 1.00 70.44 H new ATOM 0 HZ1 LYS A 87 -24.823 -17.911 11.596 1.00 45.13 H new ATOM 0 HZ2 LYS A 87 -24.080 -18.326 10.126 1.00 45.13 H new ATOM 0 HZ3 LYS A 87 -23.977 -19.377 11.456 1.00 45.13 H new ATOM 1416 N LEU A 88 -16.446 -18.285 9.851 1.00 14.32 N ATOM 1417 CA LEU A 88 -16.053 -17.509 8.680 1.00 4.44 C ATOM 1418 C LEU A 88 -16.410 -18.245 7.393 1.00 14.14 C ATOM 1419 O LEU A 88 -16.095 -17.785 6.296 1.00 55.25 O ATOM 1420 CB LEU A 88 -14.551 -17.221 8.716 1.00 25.33 C ATOM 1421 CG LEU A 88 -14.052 -16.402 9.907 1.00 12.40 C ATOM 1422 CD1 LEU A 88 -12.576 -16.072 9.748 1.00 52.33 C ATOM 1423 CD2 LEU A 88 -14.872 -15.128 10.058 1.00 22.44 C ATOM 0 H LEU A 88 -15.764 -18.986 10.140 1.00 14.32 H new ATOM 0 HA LEU A 88 -16.599 -16.566 8.700 1.00 4.44 H new ATOM 0 HB2 LEU A 88 -14.019 -18.172 8.707 1.00 25.33 H new ATOM 0 HB3 LEU A 88 -14.280 -16.695 7.800 1.00 25.33 H new ATOM 0 HG LEU A 88 -14.174 -16.999 10.811 1.00 12.40 H new ATOM 0 HD11 LEU A 88 -12.239 -15.489 10.605 1.00 52.33 H new ATOM 0 HD12 LEU A 88 -12.001 -16.996 9.689 1.00 52.33 H new ATOM 0 HD13 LEU A 88 -12.429 -15.494 8.836 1.00 52.33 H new ATOM 0 HD21 LEU A 88 -14.504 -14.557 10.910 1.00 22.44 H new ATOM 0 HD22 LEU A 88 -14.782 -14.528 9.153 1.00 22.44 H new ATOM 0 HD23 LEU A 88 -15.919 -15.386 10.219 1.00 22.44 H new ATOM 1435 N ILE A 89 -17.071 -19.389 7.537 1.00 54.45 N ATOM 1436 CA ILE A 89 -17.475 -20.186 6.385 1.00 20.32 C ATOM 1437 C ILE A 89 -18.766 -19.653 5.772 1.00 23.54 C ATOM 1438 O ILE A 89 -19.789 -19.545 6.450 1.00 45.35 O ATOM 1439 CB ILE A 89 -17.673 -21.665 6.767 1.00 74.23 C ATOM 1440 CG1 ILE A 89 -16.390 -22.234 7.375 1.00 61.31 C ATOM 1441 CG2 ILE A 89 -18.093 -22.475 5.549 1.00 51.41 C ATOM 1442 CD1 ILE A 89 -16.577 -23.587 8.025 1.00 15.03 C ATOM 0 H ILE A 89 -17.338 -19.784 8.439 1.00 54.45 H new ATOM 0 HA ILE A 89 -16.671 -20.112 5.652 1.00 20.32 H new ATOM 0 HB ILE A 89 -18.465 -21.729 7.513 1.00 74.23 H new ATOM 0 HG12 ILE A 89 -15.633 -22.316 6.595 1.00 61.31 H new ATOM 0 HG13 ILE A 89 -16.008 -21.533 8.117 1.00 61.31 H new ATOM 0 HG21 ILE A 89 -18.229 -23.518 5.835 1.00 51.41 H new ATOM 0 HG22 ILE A 89 -19.030 -22.081 5.156 1.00 51.41 H new ATOM 0 HG23 ILE A 89 -17.321 -22.407 4.783 1.00 51.41 H new ATOM 0 HD11 ILE A 89 -15.626 -23.929 8.434 1.00 15.03 H new ATOM 0 HD12 ILE A 89 -17.310 -23.507 8.828 1.00 15.03 H new ATOM 0 HD13 ILE A 89 -16.930 -24.302 7.282 1.00 15.03 H new ATOM 1454 N HIS A 90 -18.711 -19.324 4.486 1.00 55.22 N ATOM 1455 CA HIS A 90 -19.877 -18.804 3.780 1.00 74.41 C ATOM 1456 C HIS A 90 -20.023 -19.465 2.412 1.00 13.33 C ATOM 1457 O HIS A 90 -19.115 -19.407 1.583 1.00 62.33 O ATOM 1458 CB HIS A 90 -19.768 -17.288 3.618 1.00 50.10 C ATOM 1459 CG HIS A 90 -20.294 -16.521 4.792 1.00 41.31 C ATOM 1460 ND1 HIS A 90 -21.442 -15.759 4.740 1.00 52.02 N ATOM 1461 CD2 HIS A 90 -19.822 -16.402 6.055 1.00 34.11 C ATOM 1462 CE1 HIS A 90 -21.653 -15.204 5.920 1.00 52.53 C ATOM 1463 NE2 HIS A 90 -20.685 -15.578 6.736 1.00 63.31 N ATOM 0 H HIS A 90 -17.872 -19.408 3.911 1.00 55.22 H new ATOM 0 HA HIS A 90 -20.762 -19.035 4.372 1.00 74.41 H new ATOM 0 HB2 HIS A 90 -18.723 -17.022 3.459 1.00 50.10 H new ATOM 0 HB3 HIS A 90 -20.313 -16.986 2.724 1.00 50.10 H new ATOM 0 HD2 HIS A 90 -18.933 -16.868 6.453 1.00 34.11 H new ATOM 0 HE1 HIS A 90 -22.478 -14.554 6.174 1.00 52.53 H new ATOM 0 HE2 HIS A 90 -20.593 -15.300 7.713 1.00 63.31 H new ATOM 1471 N THR A 91 -21.172 -20.093 2.183 1.00 14.11 N ATOM 1472 CA THR A 91 -21.436 -20.766 0.918 1.00 55.34 C ATOM 1473 C THR A 91 -22.704 -20.228 0.263 1.00 30.32 C ATOM 1474 O THR A 91 -23.800 -20.361 0.808 1.00 51.31 O ATOM 1475 CB THR A 91 -21.577 -22.288 1.109 1.00 1.41 C ATOM 1476 OG1 THR A 91 -20.326 -22.847 1.524 1.00 3.43 O ATOM 1477 CG2 THR A 91 -22.034 -22.955 -0.179 1.00 62.32 C ATOM 0 H THR A 91 -21.935 -20.149 2.858 1.00 14.11 H new ATOM 0 HA THR A 91 -20.582 -20.566 0.270 1.00 55.34 H new ATOM 0 HB THR A 91 -22.328 -22.468 1.878 1.00 1.41 H new ATOM 0 HG1 THR A 91 -20.161 -23.679 1.034 1.00 3.43 H new ATOM 0 HG21 THR A 91 -22.126 -24.029 -0.019 1.00 62.32 H new ATOM 0 HG22 THR A 91 -23.000 -22.548 -0.477 1.00 62.32 H new ATOM 0 HG23 THR A 91 -21.303 -22.767 -0.965 1.00 62.32 H new ATOM 1485 N VAL A 92 -22.548 -19.621 -0.909 1.00 63.51 N ATOM 1486 CA VAL A 92 -23.681 -19.065 -1.639 1.00 64.32 C ATOM 1487 C VAL A 92 -24.511 -20.167 -2.288 1.00 65.23 C ATOM 1488 O VAL A 92 -23.967 -21.129 -2.832 1.00 33.02 O ATOM 1489 CB VAL A 92 -23.217 -18.078 -2.727 1.00 74.20 C ATOM 1490 CG1 VAL A 92 -24.408 -17.344 -3.325 1.00 33.54 C ATOM 1491 CG2 VAL A 92 -22.206 -17.095 -2.158 1.00 2.02 C ATOM 0 H VAL A 92 -21.648 -19.502 -1.373 1.00 63.51 H new ATOM 0 HA VAL A 92 -24.295 -18.532 -0.913 1.00 64.32 H new ATOM 0 HB VAL A 92 -22.732 -18.643 -3.523 1.00 74.20 H new ATOM 0 HG11 VAL A 92 -24.061 -16.651 -4.092 1.00 33.54 H new ATOM 0 HG12 VAL A 92 -25.093 -18.065 -3.771 1.00 33.54 H new ATOM 0 HG13 VAL A 92 -24.924 -16.789 -2.542 1.00 33.54 H new ATOM 0 HG21 VAL A 92 -21.889 -16.405 -2.940 1.00 2.02 H new ATOM 0 HG22 VAL A 92 -22.663 -16.534 -1.343 1.00 2.02 H new ATOM 0 HG23 VAL A 92 -21.340 -17.640 -1.782 1.00 2.02 H new ATOM 1501 N ARG A 93 -25.830 -20.020 -2.228 1.00 40.12 N ATOM 1502 CA ARG A 93 -26.736 -21.003 -2.810 1.00 22.23 C ATOM 1503 C ARG A 93 -26.710 -20.932 -4.334 1.00 12.53 C ATOM 1504 O ARG A 93 -27.599 -20.349 -4.953 1.00 14.11 O ATOM 1505 CB ARG A 93 -28.161 -20.778 -2.302 1.00 31.33 C ATOM 1506 CG ARG A 93 -29.169 -21.772 -2.856 1.00 11.21 C ATOM 1507 CD ARG A 93 -28.785 -23.203 -2.516 1.00 62.44 C ATOM 1508 NE ARG A 93 -28.752 -23.434 -1.075 1.00 5.04 N ATOM 1509 CZ ARG A 93 -28.160 -24.482 -0.511 1.00 54.34 C ATOM 1510 NH1 ARG A 93 -27.556 -25.390 -1.264 1.00 70.35 N ATOM 1511 NH2 ARG A 93 -28.173 -24.622 0.808 1.00 4.00 N ATOM 0 H ARG A 93 -26.295 -19.229 -1.782 1.00 40.12 H new ATOM 0 HA ARG A 93 -26.401 -21.994 -2.505 1.00 22.23 H new ATOM 0 HB2 ARG A 93 -28.164 -20.839 -1.214 1.00 31.33 H new ATOM 0 HB3 ARG A 93 -28.476 -19.768 -2.565 1.00 31.33 H new ATOM 0 HG2 ARG A 93 -30.157 -21.553 -2.451 1.00 11.21 H new ATOM 0 HG3 ARG A 93 -29.236 -21.659 -3.938 1.00 11.21 H new ATOM 0 HD2 ARG A 93 -29.497 -23.888 -2.977 1.00 62.44 H new ATOM 0 HD3 ARG A 93 -27.807 -23.426 -2.941 1.00 62.44 H new ATOM 0 HE ARG A 93 -29.208 -22.754 -0.467 1.00 5.04 H new ATOM 0 HH11 ARG A 93 -27.545 -25.285 -2.279 1.00 70.35 H new ATOM 0 HH12 ARG A 93 -27.102 -26.193 -0.829 1.00 70.35 H new ATOM 0 HH21 ARG A 93 -28.638 -23.925 1.390 1.00 4.00 H new ATOM 0 HH22 ARG A 93 -27.718 -25.427 1.240 1.00 4.00 H new ATOM 1525 N GLY A 94 -25.684 -21.528 -4.932 1.00 63.32 N ATOM 1526 CA GLY A 94 -25.561 -21.520 -6.378 1.00 40.12 C ATOM 1527 C GLY A 94 -24.219 -20.990 -6.843 1.00 52.41 C ATOM 1528 O GLY A 94 -24.125 -20.355 -7.893 1.00 72.03 O ATOM 0 H GLY A 94 -24.935 -22.017 -4.441 1.00 63.32 H new ATOM 0 HA2 GLY A 94 -25.699 -22.533 -6.757 1.00 40.12 H new ATOM 0 HA3 GLY A 94 -26.357 -20.909 -6.804 1.00 40.12 H new ATOM 1532 N ALA A 95 -23.178 -21.249 -6.059 1.00 12.34 N ATOM 1533 CA ALA A 95 -21.835 -20.793 -6.396 1.00 34.20 C ATOM 1534 C ALA A 95 -20.797 -21.864 -6.080 1.00 22.13 C ATOM 1535 O ALA A 95 -20.232 -22.481 -6.982 1.00 41.51 O ATOM 1536 CB ALA A 95 -21.512 -19.506 -5.652 1.00 52.12 C ATOM 0 H ALA A 95 -23.239 -21.772 -5.186 1.00 12.34 H new ATOM 0 HA ALA A 95 -21.803 -20.597 -7.468 1.00 34.20 H new ATOM 0 HB1 ALA A 95 -20.506 -19.177 -5.913 1.00 52.12 H new ATOM 0 HB2 ALA A 95 -22.230 -18.735 -5.931 1.00 52.12 H new ATOM 0 HB3 ALA A 95 -21.568 -19.683 -4.578 1.00 52.12 H new ATOM 1542 N GLY A 96 -20.549 -22.080 -4.791 1.00 53.02 N ATOM 1543 CA GLY A 96 -19.578 -23.076 -4.379 1.00 70.42 C ATOM 1544 C GLY A 96 -19.160 -22.915 -2.931 1.00 52.21 C ATOM 1545 O GLY A 96 -19.847 -23.384 -2.023 1.00 70.45 O ATOM 0 H GLY A 96 -21.004 -21.583 -4.025 1.00 53.02 H new ATOM 0 HA2 GLY A 96 -19.999 -24.071 -4.524 1.00 70.42 H new ATOM 0 HA3 GLY A 96 -18.698 -23.006 -5.018 1.00 70.42 H new ATOM 1549 N TYR A 97 -18.031 -22.251 -2.714 1.00 3.53 N ATOM 1550 CA TYR A 97 -17.520 -22.032 -1.366 1.00 1.04 C ATOM 1551 C TYR A 97 -16.631 -20.793 -1.314 1.00 13.10 C ATOM 1552 O TYR A 97 -15.812 -20.564 -2.204 1.00 21.51 O ATOM 1553 CB TYR A 97 -16.735 -23.256 -0.890 1.00 54.02 C ATOM 1554 CG TYR A 97 -17.267 -23.855 0.393 1.00 44.24 C ATOM 1555 CD1 TYR A 97 -18.316 -24.765 0.375 1.00 12.14 C ATOM 1556 CD2 TYR A 97 -16.718 -23.511 1.622 1.00 43.00 C ATOM 1557 CE1 TYR A 97 -18.805 -25.314 1.545 1.00 1.30 C ATOM 1558 CE2 TYR A 97 -17.199 -24.056 2.797 1.00 71.04 C ATOM 1559 CZ TYR A 97 -18.243 -24.956 2.753 1.00 31.40 C ATOM 1560 OH TYR A 97 -18.726 -25.502 3.920 1.00 32.03 O ATOM 0 H TYR A 97 -17.452 -21.855 -3.454 1.00 3.53 H new ATOM 0 HA TYR A 97 -18.372 -21.874 -0.704 1.00 1.04 H new ATOM 0 HB2 TYR A 97 -16.754 -24.016 -1.671 1.00 54.02 H new ATOM 0 HB3 TYR A 97 -15.692 -22.974 -0.745 1.00 54.02 H new ATOM 0 HD1 TYR A 97 -18.757 -25.048 -0.569 1.00 12.14 H new ATOM 0 HD2 TYR A 97 -15.901 -22.805 1.660 1.00 43.00 H new ATOM 0 HE1 TYR A 97 -19.622 -26.019 1.514 1.00 1.30 H new ATOM 0 HE2 TYR A 97 -16.760 -23.779 3.744 1.00 71.04 H new ATOM 0 HH TYR A 97 -19.076 -26.400 3.741 1.00 32.03 H new ATOM 1570 N VAL A 98 -16.800 -19.995 -0.264 1.00 23.30 N ATOM 1571 CA VAL A 98 -16.013 -18.780 -0.093 1.00 41.22 C ATOM 1572 C VAL A 98 -15.909 -18.395 1.378 1.00 1.42 C ATOM 1573 O VAL A 98 -16.692 -18.857 2.209 1.00 11.42 O ATOM 1574 CB VAL A 98 -16.621 -17.603 -0.879 1.00 44.30 C ATOM 1575 CG1 VAL A 98 -17.850 -17.061 -0.165 1.00 25.44 C ATOM 1576 CG2 VAL A 98 -15.585 -16.507 -1.081 1.00 53.43 C ATOM 0 H VAL A 98 -17.475 -20.169 0.481 1.00 23.30 H new ATOM 0 HA VAL A 98 -15.017 -18.991 -0.481 1.00 41.22 H new ATOM 0 HB VAL A 98 -16.931 -17.965 -1.859 1.00 44.30 H new ATOM 0 HG11 VAL A 98 -18.265 -16.230 -0.735 1.00 25.44 H new ATOM 0 HG12 VAL A 98 -18.597 -17.850 -0.077 1.00 25.44 H new ATOM 0 HG13 VAL A 98 -17.570 -16.714 0.829 1.00 25.44 H new ATOM 0 HG21 VAL A 98 -16.031 -15.683 -1.638 1.00 53.43 H new ATOM 0 HG22 VAL A 98 -15.243 -16.146 -0.111 1.00 53.43 H new ATOM 0 HG23 VAL A 98 -14.738 -16.906 -1.639 1.00 53.43 H new ATOM 1586 N LEU A 99 -14.938 -17.545 1.694 1.00 23.23 N ATOM 1587 CA LEU A 99 -14.731 -17.096 3.067 1.00 63.12 C ATOM 1588 C LEU A 99 -15.209 -15.659 3.247 1.00 5.14 C ATOM 1589 O LEU A 99 -15.197 -14.868 2.305 1.00 61.35 O ATOM 1590 CB LEU A 99 -13.252 -17.205 3.442 1.00 21.04 C ATOM 1591 CG LEU A 99 -12.252 -16.928 2.319 1.00 0.12 C ATOM 1592 CD1 LEU A 99 -12.437 -15.520 1.776 1.00 44.34 C ATOM 1593 CD2 LEU A 99 -10.827 -17.128 2.813 1.00 65.54 C ATOM 0 H LEU A 99 -14.282 -17.153 1.019 1.00 23.23 H new ATOM 0 HA LEU A 99 -15.315 -17.739 3.726 1.00 63.12 H new ATOM 0 HB2 LEU A 99 -13.053 -16.510 4.258 1.00 21.04 H new ATOM 0 HB3 LEU A 99 -13.068 -18.209 3.826 1.00 21.04 H new ATOM 0 HG LEU A 99 -12.437 -17.635 1.510 1.00 0.12 H new ATOM 0 HD11 LEU A 99 -11.717 -15.340 0.978 1.00 44.34 H new ATOM 0 HD12 LEU A 99 -13.448 -15.411 1.384 1.00 44.34 H new ATOM 0 HD13 LEU A 99 -12.279 -14.798 2.577 1.00 44.34 H new ATOM 0 HD21 LEU A 99 -10.129 -16.927 2.001 1.00 65.54 H new ATOM 0 HD22 LEU A 99 -10.629 -16.445 3.639 1.00 65.54 H new ATOM 0 HD23 LEU A 99 -10.701 -18.156 3.153 1.00 65.54 H new ATOM 1605 N GLU A 100 -15.626 -15.328 4.465 1.00 10.04 N ATOM 1606 CA GLU A 100 -16.106 -13.985 4.769 1.00 72.01 C ATOM 1607 C GLU A 100 -16.167 -13.757 6.277 1.00 40.25 C ATOM 1608 O GLU A 100 -16.305 -14.703 7.053 1.00 53.41 O ATOM 1609 CB GLU A 100 -17.489 -13.762 4.152 1.00 23.12 C ATOM 1610 CG GLU A 100 -17.469 -12.874 2.920 1.00 53.52 C ATOM 1611 CD GLU A 100 -16.785 -11.544 3.170 1.00 4.11 C ATOM 1612 OE1 GLU A 100 -16.935 -10.999 4.283 1.00 12.52 O ATOM 1613 OE2 GLU A 100 -16.098 -11.049 2.252 1.00 43.11 O ATOM 0 H GLU A 100 -15.641 -15.971 5.257 1.00 10.04 H new ATOM 0 HA GLU A 100 -15.404 -13.270 4.339 1.00 72.01 H new ATOM 0 HB2 GLU A 100 -17.919 -14.728 3.887 1.00 23.12 H new ATOM 0 HB3 GLU A 100 -18.144 -13.316 4.900 1.00 23.12 H new ATOM 0 HG2 GLU A 100 -16.958 -13.394 2.110 1.00 53.52 H new ATOM 0 HG3 GLU A 100 -18.492 -12.696 2.589 1.00 53.52 H new ATOM 1620 N ILE A 101 -16.062 -12.496 6.683 1.00 71.13 N ATOM 1621 CA ILE A 101 -16.106 -12.143 8.096 1.00 25.33 C ATOM 1622 C ILE A 101 -17.007 -10.937 8.334 1.00 1.44 C ATOM 1623 O ILE A 101 -17.463 -10.294 7.389 1.00 53.22 O ATOM 1624 CB ILE A 101 -14.699 -11.835 8.643 1.00 31.22 C ATOM 1625 CG1 ILE A 101 -14.310 -10.390 8.326 1.00 40.05 C ATOM 1626 CG2 ILE A 101 -13.681 -12.804 8.061 1.00 4.12 C ATOM 1627 CD1 ILE A 101 -14.398 -10.050 6.854 1.00 23.12 C ATOM 0 H ILE A 101 -15.946 -11.702 6.053 1.00 71.13 H new ATOM 0 HA ILE A 101 -16.512 -13.006 8.624 1.00 25.33 H new ATOM 0 HB ILE A 101 -14.711 -11.958 9.726 1.00 31.22 H new ATOM 0 HG12 ILE A 101 -14.959 -9.716 8.886 1.00 40.05 H new ATOM 0 HG13 ILE A 101 -13.292 -10.212 8.672 1.00 40.05 H new ATOM 0 HG21 ILE A 101 -12.692 -12.574 8.457 1.00 4.12 H new ATOM 0 HG22 ILE A 101 -13.952 -13.824 8.333 1.00 4.12 H new ATOM 0 HG23 ILE A 101 -13.668 -12.710 6.975 1.00 4.12 H new ATOM 0 HD11 ILE A 101 -14.108 -9.010 6.703 1.00 23.12 H new ATOM 0 HD12 ILE A 101 -13.728 -10.699 6.290 1.00 23.12 H new ATOM 0 HD13 ILE A 101 -15.421 -10.196 6.507 1.00 23.12 H new ATOM 1639 N ARG A 102 -17.258 -10.634 9.604 1.00 41.42 N ATOM 1640 CA ARG A 102 -18.104 -9.503 9.967 1.00 72.34 C ATOM 1641 C ARG A 102 -17.261 -8.271 10.280 1.00 24.12 C ATOM 1642 O ARG A 102 -17.725 -7.139 10.146 1.00 62.50 O ATOM 1643 CB ARG A 102 -18.976 -9.858 11.172 1.00 32.04 C ATOM 1644 CG ARG A 102 -20.247 -10.607 10.806 1.00 52.32 C ATOM 1645 CD ARG A 102 -21.184 -10.730 11.997 1.00 31.41 C ATOM 1646 NE ARG A 102 -22.581 -10.840 11.586 1.00 51.33 N ATOM 1647 CZ ARG A 102 -23.265 -9.843 11.036 1.00 55.23 C ATOM 1648 NH1 ARG A 102 -22.684 -8.669 10.832 1.00 54.31 N ATOM 1649 NH2 ARG A 102 -24.534 -10.020 10.688 1.00 43.32 N ATOM 0 H ARG A 102 -16.888 -11.156 10.398 1.00 41.42 H new ATOM 0 HA ARG A 102 -18.747 -9.275 9.117 1.00 72.34 H new ATOM 0 HB2 ARG A 102 -18.393 -10.465 11.865 1.00 32.04 H new ATOM 0 HB3 ARG A 102 -19.243 -8.942 11.699 1.00 32.04 H new ATOM 0 HG2 ARG A 102 -20.756 -10.088 9.994 1.00 52.32 H new ATOM 0 HG3 ARG A 102 -19.992 -11.601 10.438 1.00 52.32 H new ATOM 0 HD2 ARG A 102 -20.909 -11.606 12.585 1.00 31.41 H new ATOM 0 HD3 ARG A 102 -21.064 -9.861 12.644 1.00 31.41 H new ATOM 0 HE ARG A 102 -23.057 -11.731 11.729 1.00 51.33 H new ATOM 0 HH11 ARG A 102 -21.709 -8.529 11.098 1.00 54.31 H new ATOM 0 HH12 ARG A 102 -23.212 -7.905 10.409 1.00 54.31 H new ATOM 0 HH21 ARG A 102 -24.984 -10.922 10.843 1.00 43.32 H new ATOM 0 HH22 ARG A 102 -25.059 -9.254 10.266 1.00 43.32 H new ATOM 1663 N GLU A 103 -16.020 -8.501 10.699 1.00 41.51 N ATOM 1664 CA GLU A 103 -15.113 -7.409 11.033 1.00 40.42 C ATOM 1665 C GLU A 103 -15.042 -6.393 9.896 1.00 60.32 C ATOM 1666 O GLU A 103 -14.826 -5.204 10.125 1.00 5.03 O ATOM 1667 CB GLU A 103 -13.715 -7.952 11.334 1.00 4.33 C ATOM 1668 CG GLU A 103 -12.660 -6.868 11.485 1.00 72.11 C ATOM 1669 CD GLU A 103 -13.103 -5.747 12.405 1.00 20.23 C ATOM 1670 OE1 GLU A 103 -13.688 -6.048 13.467 1.00 61.40 O ATOM 1671 OE2 GLU A 103 -12.865 -4.570 12.064 1.00 11.24 O ATOM 0 H GLU A 103 -15.621 -9.432 10.815 1.00 41.51 H new ATOM 0 HA GLU A 103 -15.500 -6.908 11.921 1.00 40.42 H new ATOM 0 HB2 GLU A 103 -13.753 -8.541 12.251 1.00 4.33 H new ATOM 0 HB3 GLU A 103 -13.417 -8.628 10.533 1.00 4.33 H new ATOM 0 HG2 GLU A 103 -11.743 -7.311 11.873 1.00 72.11 H new ATOM 0 HG3 GLU A 103 -12.425 -6.456 10.504 1.00 72.11 H new ATOM 1678 N GLU A 104 -15.225 -6.873 8.670 1.00 54.05 N ATOM 1679 CA GLU A 104 -15.181 -6.007 7.497 1.00 64.51 C ATOM 1680 C GLU A 104 -16.145 -4.835 7.649 1.00 10.31 C ATOM 1681 O GLU A 104 -16.980 -4.819 8.553 1.00 53.25 O ATOM 1682 CB GLU A 104 -15.523 -6.803 6.235 1.00 4.32 C ATOM 1683 CG GLU A 104 -15.703 -5.937 5.000 1.00 44.52 C ATOM 1684 CD GLU A 104 -17.134 -5.470 4.818 1.00 70.54 C ATOM 1685 OE1 GLU A 104 -18.055 -6.219 5.207 1.00 70.15 O ATOM 1686 OE2 GLU A 104 -17.333 -4.358 4.286 1.00 34.33 O ATOM 0 H GLU A 104 -15.405 -7.855 8.463 1.00 54.05 H new ATOM 0 HA GLU A 104 -14.169 -5.613 7.406 1.00 64.51 H new ATOM 0 HB2 GLU A 104 -14.731 -7.529 6.048 1.00 4.32 H new ATOM 0 HB3 GLU A 104 -16.439 -7.368 6.409 1.00 4.32 H new ATOM 0 HG2 GLU A 104 -15.048 -5.069 5.071 1.00 44.52 H new ATOM 0 HG3 GLU A 104 -15.393 -6.499 4.119 1.00 44.52 H new TER 1693 GLU A 104