USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 634 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 28 LYS NZ :NH3+ -174:sc= 0.0996 (180deg=0) USER MOD Set 1.2: A 54 ASN : amide:sc= -0.0456 K(o=0.054,f=-1.6!) USER MOD Single : A 1 ARG N :NH3+ -122:sc= 0.138 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.000435 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.566 K(o=-0.57,f=-2.3) USER MOD Single : A 8 MET CE :methyl -107:sc= -0.328 (180deg=-3.55!) USER MOD Single : A 14 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.227) USER MOD Single : A 15 LYS NZ :NH3+ 140:sc= -1.18 (180deg=-3.48!) USER MOD Single : A 16 TYR OH : rot 30:sc= -3.22! USER MOD Single : A 19 SER OG : rot 64:sc= 0.798 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.32 K(o=-0.32,f=-2.6!) USER MOD Single : A 29 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.058) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc= -3.8! C(o=-3.8!,f=-6!) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.3 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.13 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot 15:sc= -3.57 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0136) USER MOD Single : A 62 HIS : no HE2:sc= -17.5! C(o=-18!,f=-15!) USER MOD Single : A 68 THR OG1 : rot -134:sc= -0.339 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 82:sc= 1.14 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 0.0733 X(o=0.073,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 16.471 2.049 0.959 1.00 0.00 N ATOM 2 CA ARG A 1 15.098 2.458 1.199 1.00 0.00 C ATOM 3 C ARG A 1 14.790 3.756 0.449 1.00 0.00 C ATOM 4 O ARG A 1 15.627 4.255 -0.304 1.00 0.00 O ATOM 5 CB ARG A 1 14.839 2.667 2.693 1.00 0.00 C ATOM 6 CG ARG A 1 14.540 1.337 3.388 1.00 0.00 C ATOM 7 CD ARG A 1 13.563 1.533 4.548 1.00 0.00 C ATOM 8 NE ARG A 1 12.393 0.641 4.381 1.00 0.00 N ATOM 9 CZ ARG A 1 11.359 0.901 3.570 1.00 0.00 C ATOM 10 NH1 ARG A 1 11.344 2.029 2.845 1.00 0.00 N ATOM 11 NH2 ARG A 1 10.343 0.034 3.481 1.00 0.00 N ATOM 0 H1 ARG A 1 16.482 1.095 0.544 1.00 0.00 H new ATOM 0 H2 ARG A 1 16.923 2.717 0.302 1.00 0.00 H new ATOM 0 H3 ARG A 1 16.993 2.041 1.858 1.00 0.00 H new ATOM 0 HA ARG A 1 14.448 1.662 0.836 1.00 0.00 H new ATOM 0 HB2 ARG A 1 15.708 3.135 3.155 1.00 0.00 H new ATOM 0 HB3 ARG A 1 14.000 3.349 2.828 1.00 0.00 H new ATOM 0 HG2 ARG A 1 14.120 0.633 2.669 1.00 0.00 H new ATOM 0 HG3 ARG A 1 15.467 0.900 3.758 1.00 0.00 H new ATOM 0 HD2 ARG A 1 14.061 1.320 5.494 1.00 0.00 H new ATOM 0 HD3 ARG A 1 13.236 2.572 4.587 1.00 0.00 H new ATOM 0 HE ARG A 1 12.373 -0.226 4.917 1.00 0.00 H new ATOM 0 HH11 ARG A 1 12.120 2.688 2.911 1.00 0.00 H new ATOM 0 HH12 ARG A 1 10.557 2.228 2.227 1.00 0.00 H new ATOM 0 HH21 ARG A 1 10.356 -0.825 4.031 1.00 0.00 H new ATOM 0 HH22 ARG A 1 9.556 0.232 2.863 1.00 0.00 H new ATOM 25 N SER A 2 13.590 4.266 0.680 1.00 0.00 N ATOM 26 CA SER A 2 13.162 5.496 0.036 1.00 0.00 C ATOM 27 C SER A 2 13.051 5.283 -1.475 1.00 0.00 C ATOM 28 O SER A 2 14.061 5.260 -2.178 1.00 0.00 O ATOM 29 CB SER A 2 14.128 6.641 0.342 1.00 0.00 C ATOM 30 OG SER A 2 13.739 7.854 -0.299 1.00 0.00 O ATOM 0 H SER A 2 12.900 3.850 1.305 1.00 0.00 H new ATOM 0 HA SER A 2 12.183 5.768 0.431 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.173 6.799 1.420 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.131 6.365 0.018 1.00 0.00 H new ATOM 0 HG SER A 2 14.380 8.561 -0.078 1.00 0.00 H new ATOM 36 N ALA A 3 11.816 5.134 -1.930 1.00 0.00 N ATOM 37 CA ALA A 3 11.560 4.924 -3.346 1.00 0.00 C ATOM 38 C ALA A 3 10.067 5.114 -3.622 1.00 0.00 C ATOM 39 O ALA A 3 9.386 5.843 -2.903 1.00 0.00 O ATOM 40 CB ALA A 3 12.057 3.536 -3.754 1.00 0.00 C ATOM 0 H ALA A 3 10.981 5.154 -1.344 1.00 0.00 H new ATOM 0 HA ALA A 3 12.102 5.654 -3.947 1.00 0.00 H new ATOM 0 HB1 ALA A 3 11.865 3.378 -4.815 1.00 0.00 H new ATOM 0 HB2 ALA A 3 13.128 3.463 -3.564 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.533 2.777 -3.174 1.00 0.00 H new ATOM 46 N LEU A 4 9.602 4.445 -4.668 1.00 0.00 N ATOM 47 CA LEU A 4 8.203 4.531 -5.049 1.00 0.00 C ATOM 48 C LEU A 4 7.344 3.870 -3.969 1.00 0.00 C ATOM 49 O LEU A 4 6.119 3.981 -3.992 1.00 0.00 O ATOM 50 CB LEU A 4 7.992 3.945 -6.447 1.00 0.00 C ATOM 51 CG LEU A 4 7.669 2.451 -6.506 1.00 0.00 C ATOM 52 CD1 LEU A 4 8.766 1.625 -5.831 1.00 0.00 C ATOM 53 CD2 LEU A 4 6.289 2.164 -5.912 1.00 0.00 C ATOM 0 H LEU A 4 10.170 3.841 -5.263 1.00 0.00 H new ATOM 0 HA LEU A 4 7.889 5.573 -5.114 1.00 0.00 H new ATOM 0 HB2 LEU A 4 7.181 4.491 -6.930 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.892 4.125 -7.035 1.00 0.00 H new ATOM 0 HG LEU A 4 7.638 2.150 -7.553 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.511 0.567 -5.887 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.715 1.797 -6.338 1.00 0.00 H new ATOM 0 HD13 LEU A 4 8.854 1.922 -4.786 1.00 0.00 H new ATOM 0 HD21 LEU A 4 6.085 1.095 -5.967 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.267 2.485 -4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.530 2.708 -6.475 1.00 0.00 H new ATOM 65 N SER A 5 8.020 3.197 -3.049 1.00 0.00 N ATOM 66 CA SER A 5 7.333 2.519 -1.963 1.00 0.00 C ATOM 67 C SER A 5 6.257 3.433 -1.373 1.00 0.00 C ATOM 68 O SER A 5 5.212 2.961 -0.928 1.00 0.00 O ATOM 69 CB SER A 5 8.316 2.085 -0.875 1.00 0.00 C ATOM 70 OG SER A 5 8.717 0.726 -1.028 1.00 0.00 O ATOM 0 H SER A 5 9.036 3.107 -3.033 1.00 0.00 H new ATOM 0 HA SER A 5 6.859 1.623 -2.364 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.196 2.728 -0.904 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.856 2.219 0.104 1.00 0.00 H new ATOM 0 HG SER A 5 9.346 0.488 -0.315 1.00 0.00 H new ATOM 76 N CYS A 6 6.551 4.725 -1.386 1.00 0.00 N ATOM 77 CA CYS A 6 5.623 5.709 -0.857 1.00 0.00 C ATOM 78 C CYS A 6 4.295 5.569 -1.606 1.00 0.00 C ATOM 79 O CYS A 6 3.279 5.211 -1.014 1.00 0.00 O ATOM 80 CB CYS A 6 6.186 7.129 -0.954 1.00 0.00 C ATOM 81 SG CYS A 6 4.950 8.462 -0.747 1.00 0.00 S ATOM 0 H CYS A 6 7.419 5.113 -1.755 1.00 0.00 H new ATOM 0 HA CYS A 6 5.461 5.525 0.205 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.960 7.250 -0.196 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.668 7.248 -1.924 1.00 0.00 H new ATOM 86 N GLN A 7 4.348 5.861 -2.898 1.00 0.00 N ATOM 87 CA GLN A 7 3.164 5.772 -3.734 1.00 0.00 C ATOM 88 C GLN A 7 2.337 4.542 -3.355 1.00 0.00 C ATOM 89 O GLN A 7 1.142 4.652 -3.087 1.00 0.00 O ATOM 90 CB GLN A 7 3.541 5.744 -5.216 1.00 0.00 C ATOM 91 CG GLN A 7 3.712 7.161 -5.766 1.00 0.00 C ATOM 92 CD GLN A 7 5.126 7.369 -6.313 1.00 0.00 C ATOM 93 OE1 GLN A 7 6.112 6.946 -5.733 1.00 0.00 O ATOM 94 NE2 GLN A 7 5.169 8.044 -7.458 1.00 0.00 N ATOM 0 H GLN A 7 5.193 6.159 -3.385 1.00 0.00 H new ATOM 0 HA GLN A 7 2.556 6.660 -3.564 1.00 0.00 H new ATOM 0 HB2 GLN A 7 4.467 5.185 -5.349 1.00 0.00 H new ATOM 0 HB3 GLN A 7 2.769 5.222 -5.781 1.00 0.00 H new ATOM 0 HG2 GLN A 7 2.983 7.339 -6.556 1.00 0.00 H new ATOM 0 HG3 GLN A 7 3.512 7.887 -4.978 1.00 0.00 H new ATOM 0 HE21 GLN A 7 4.305 8.370 -7.891 1.00 0.00 H new ATOM 0 HE22 GLN A 7 6.066 8.236 -7.904 1.00 0.00 H new ATOM 103 N MET A 8 3.007 3.399 -3.344 1.00 0.00 N ATOM 104 CA MET A 8 2.349 2.149 -3.002 1.00 0.00 C ATOM 105 C MET A 8 1.467 2.316 -1.763 1.00 0.00 C ATOM 106 O MET A 8 0.395 1.717 -1.674 1.00 0.00 O ATOM 107 CB MET A 8 3.403 1.073 -2.737 1.00 0.00 C ATOM 108 CG MET A 8 4.057 0.612 -4.041 1.00 0.00 C ATOM 109 SD MET A 8 5.401 -0.508 -3.689 1.00 0.00 S ATOM 110 CE MET A 8 5.457 -1.417 -5.224 1.00 0.00 C ATOM 0 H MET A 8 3.999 3.312 -3.566 1.00 0.00 H new ATOM 0 HA MET A 8 1.716 1.852 -3.838 1.00 0.00 H new ATOM 0 HB2 MET A 8 4.165 1.464 -2.062 1.00 0.00 H new ATOM 0 HB3 MET A 8 2.941 0.222 -2.237 1.00 0.00 H new ATOM 0 HG2 MET A 8 3.318 0.119 -4.673 1.00 0.00 H new ATOM 0 HG3 MET A 8 4.427 1.474 -4.596 1.00 0.00 H new ATOM 0 HE1 MET A 8 5.058 -2.419 -5.068 1.00 0.00 H new ATOM 0 HE2 MET A 8 4.859 -0.901 -5.975 1.00 0.00 H new ATOM 0 HE3 MET A 8 6.489 -1.487 -5.568 1.00 0.00 H new ATOM 120 N CYS A 9 1.948 3.132 -0.838 1.00 0.00 N ATOM 121 CA CYS A 9 1.217 3.386 0.393 1.00 0.00 C ATOM 122 C CYS A 9 -0.111 4.055 0.032 1.00 0.00 C ATOM 123 O CYS A 9 -1.150 3.731 0.606 1.00 0.00 O ATOM 124 CB CYS A 9 2.034 4.229 1.373 1.00 0.00 C ATOM 125 SG CYS A 9 1.842 6.037 1.174 1.00 0.00 S ATOM 0 H CYS A 9 2.836 3.627 -0.916 1.00 0.00 H new ATOM 0 HA CYS A 9 1.021 2.444 0.904 1.00 0.00 H new ATOM 0 HB2 CYS A 9 1.749 3.957 2.389 1.00 0.00 H new ATOM 0 HB3 CYS A 9 3.088 3.975 1.258 1.00 0.00 H new ATOM 130 N GLU A 10 -0.035 4.977 -0.917 1.00 0.00 N ATOM 131 CA GLU A 10 -1.217 5.694 -1.360 1.00 0.00 C ATOM 132 C GLU A 10 -2.149 4.757 -2.130 1.00 0.00 C ATOM 133 O GLU A 10 -3.261 5.141 -2.492 1.00 0.00 O ATOM 134 CB GLU A 10 -0.835 6.908 -2.211 1.00 0.00 C ATOM 135 CG GLU A 10 -1.097 8.212 -1.454 1.00 0.00 C ATOM 136 CD GLU A 10 -0.193 9.335 -1.968 1.00 0.00 C ATOM 137 OE1 GLU A 10 -0.066 9.438 -3.207 1.00 0.00 O ATOM 138 OE2 GLU A 10 0.349 10.064 -1.110 1.00 0.00 O ATOM 0 H GLU A 10 0.828 5.243 -1.391 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.747 6.060 -0.480 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.218 6.848 -2.485 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.407 6.901 -3.139 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.142 8.500 -1.569 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.924 8.060 -0.389 1.00 0.00 H new ATOM 146 N LEU A 11 -1.663 3.547 -2.359 1.00 0.00 N ATOM 147 CA LEU A 11 -2.438 2.552 -3.079 1.00 0.00 C ATOM 148 C LEU A 11 -3.194 1.677 -2.077 1.00 0.00 C ATOM 149 O LEU A 11 -4.349 1.319 -2.307 1.00 0.00 O ATOM 150 CB LEU A 11 -1.541 1.760 -4.033 1.00 0.00 C ATOM 151 CG LEU A 11 -2.200 0.578 -4.748 1.00 0.00 C ATOM 152 CD1 LEU A 11 -3.490 1.011 -5.447 1.00 0.00 C ATOM 153 CD2 LEU A 11 -1.222 -0.093 -5.714 1.00 0.00 C ATOM 0 H LEU A 11 -0.741 3.233 -2.058 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.185 3.035 -3.709 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.153 2.444 -4.787 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.685 1.387 -3.470 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.473 -0.165 -3.999 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.938 0.153 -5.947 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.188 1.407 -4.709 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.264 1.783 -6.183 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.716 -0.930 -6.209 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.896 0.630 -6.462 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.357 -0.458 -5.161 1.00 0.00 H new ATOM 165 N VAL A 12 -2.512 1.358 -0.987 1.00 0.00 N ATOM 166 CA VAL A 12 -3.104 0.532 0.051 1.00 0.00 C ATOM 167 C VAL A 12 -4.117 1.363 0.842 1.00 0.00 C ATOM 168 O VAL A 12 -5.209 0.887 1.152 1.00 0.00 O ATOM 169 CB VAL A 12 -2.008 -0.071 0.931 1.00 0.00 C ATOM 170 CG1 VAL A 12 -0.932 -0.747 0.079 1.00 0.00 C ATOM 171 CG2 VAL A 12 -1.395 0.991 1.846 1.00 0.00 C ATOM 0 H VAL A 12 -1.555 1.657 -0.800 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.644 -0.306 -0.390 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.465 -0.834 1.561 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.164 -1.168 0.729 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.383 -1.544 -0.512 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.480 -0.012 -0.587 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.618 0.537 2.461 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.959 1.786 1.240 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.170 1.408 2.489 1.00 0.00 H new ATOM 181 N VAL A 13 -3.719 2.589 1.147 1.00 0.00 N ATOM 182 CA VAL A 13 -4.577 3.490 1.897 1.00 0.00 C ATOM 183 C VAL A 13 -5.811 3.828 1.058 1.00 0.00 C ATOM 184 O VAL A 13 -6.937 3.545 1.461 1.00 0.00 O ATOM 185 CB VAL A 13 -3.788 4.729 2.326 1.00 0.00 C ATOM 186 CG1 VAL A 13 -2.616 4.346 3.231 1.00 0.00 C ATOM 187 CG2 VAL A 13 -3.304 5.520 1.108 1.00 0.00 C ATOM 0 H VAL A 13 -2.813 2.980 0.888 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.927 3.011 2.812 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.458 5.371 2.898 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.072 5.245 3.522 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.993 3.846 4.123 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.946 3.674 2.694 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.746 6.395 1.441 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.658 4.889 0.497 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.162 5.840 0.517 1.00 0.00 H new ATOM 197 N LYS A 14 -5.556 4.430 -0.096 1.00 0.00 N ATOM 198 CA LYS A 14 -6.632 4.809 -0.995 1.00 0.00 C ATOM 199 C LYS A 14 -7.620 3.648 -1.121 1.00 0.00 C ATOM 200 O LYS A 14 -8.817 3.864 -1.297 1.00 0.00 O ATOM 201 CB LYS A 14 -6.067 5.283 -2.336 1.00 0.00 C ATOM 202 CG LYS A 14 -5.632 4.096 -3.198 1.00 0.00 C ATOM 203 CD LYS A 14 -5.222 4.557 -4.599 1.00 0.00 C ATOM 204 CE LYS A 14 -6.415 4.527 -5.556 1.00 0.00 C ATOM 205 NZ LYS A 14 -6.998 5.881 -5.700 1.00 0.00 N ATOM 0 H LYS A 14 -4.620 4.664 -0.428 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.186 5.656 -0.590 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.820 5.866 -2.866 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.217 5.943 -2.164 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.797 3.582 -2.721 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.448 3.377 -3.272 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.816 5.567 -4.549 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.429 3.914 -4.980 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.098 4.156 -6.530 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.171 3.837 -5.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.575 5.921 -6.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.596 6.091 -4.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.234 6.583 -5.761 1.00 0.00 H new ATOM 219 N LYS A 15 -7.081 2.441 -1.024 1.00 0.00 N ATOM 220 CA LYS A 15 -7.900 1.246 -1.124 1.00 0.00 C ATOM 221 C LYS A 15 -8.580 0.983 0.221 1.00 0.00 C ATOM 222 O LYS A 15 -9.714 0.510 0.266 1.00 0.00 O ATOM 223 CB LYS A 15 -7.068 0.067 -1.632 1.00 0.00 C ATOM 224 CG LYS A 15 -6.741 0.226 -3.119 1.00 0.00 C ATOM 225 CD LYS A 15 -8.010 0.154 -3.969 1.00 0.00 C ATOM 226 CE LYS A 15 -7.669 -0.011 -5.452 1.00 0.00 C ATOM 227 NZ LYS A 15 -8.707 -0.813 -6.137 1.00 0.00 N ATOM 0 H LYS A 15 -6.087 2.266 -0.877 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.692 1.389 -1.859 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.144 -0.004 -1.058 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.614 -0.863 -1.474 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.241 1.180 -3.285 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.047 -0.556 -3.428 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.626 -0.682 -3.639 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.599 1.060 -3.826 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.588 0.968 -5.924 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.699 -0.496 -5.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.894 -0.409 -7.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.375 -1.793 -6.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.582 -0.802 -5.575 1.00 0.00 H new ATOM 241 N TYR A 16 -7.858 1.304 1.285 1.00 0.00 N ATOM 242 CA TYR A 16 -8.377 1.110 2.629 1.00 0.00 C ATOM 243 C TYR A 16 -9.362 2.220 3.002 1.00 0.00 C ATOM 244 O TYR A 16 -10.562 1.977 3.116 1.00 0.00 O ATOM 245 CB TYR A 16 -7.168 1.182 3.562 1.00 0.00 C ATOM 246 CG TYR A 16 -7.507 0.964 5.038 1.00 0.00 C ATOM 247 CD1 TYR A 16 -8.795 0.635 5.409 1.00 0.00 C ATOM 248 CD2 TYR A 16 -6.525 1.095 5.998 1.00 0.00 C ATOM 249 CE1 TYR A 16 -9.115 0.430 6.798 1.00 0.00 C ATOM 250 CE2 TYR A 16 -6.845 0.890 7.387 1.00 0.00 C ATOM 251 CZ TYR A 16 -8.123 0.567 7.719 1.00 0.00 C ATOM 252 OH TYR A 16 -8.425 0.373 9.030 1.00 0.00 O ATOM 0 H TYR A 16 -6.918 1.697 1.244 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.906 0.160 2.703 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.438 0.433 3.253 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.692 2.156 3.449 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -9.563 0.531 4.657 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.517 1.351 5.708 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.119 0.173 7.102 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.086 0.991 8.149 1.00 0.00 H new ATOM 0 HH TYR A 16 -9.156 -0.275 9.105 1.00 0.00 H new ATOM 262 N GLU A 17 -8.817 3.414 3.180 1.00 0.00 N ATOM 263 CA GLU A 17 -9.632 4.562 3.539 1.00 0.00 C ATOM 264 C GLU A 17 -10.677 4.831 2.453 1.00 0.00 C ATOM 265 O GLU A 17 -11.653 5.542 2.688 1.00 0.00 O ATOM 266 CB GLU A 17 -8.764 5.798 3.781 1.00 0.00 C ATOM 267 CG GLU A 17 -8.147 6.300 2.474 1.00 0.00 C ATOM 268 CD GLU A 17 -9.195 7.002 1.607 1.00 0.00 C ATOM 269 OE1 GLU A 17 -9.838 7.933 2.138 1.00 0.00 O ATOM 270 OE2 GLU A 17 -9.330 6.591 0.434 1.00 0.00 O ATOM 0 H GLU A 17 -7.821 3.612 3.082 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.152 4.336 4.470 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.367 6.588 4.230 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.973 5.558 4.492 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.331 6.989 2.694 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.718 5.462 1.925 1.00 0.00 H new ATOM 278 N GLY A 18 -10.437 4.247 1.288 1.00 0.00 N ATOM 279 CA GLY A 18 -11.344 4.415 0.165 1.00 0.00 C ATOM 280 C GLY A 18 -11.871 3.063 -0.319 1.00 0.00 C ATOM 281 O GLY A 18 -12.163 2.894 -1.503 1.00 0.00 O ATOM 0 H GLY A 18 -9.627 3.657 1.097 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -12.179 5.051 0.459 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.829 4.922 -0.651 1.00 0.00 H new ATOM 285 N SER A 19 -11.979 2.134 0.621 1.00 0.00 N ATOM 286 CA SER A 19 -12.467 0.802 0.304 1.00 0.00 C ATOM 287 C SER A 19 -13.996 0.798 0.281 1.00 0.00 C ATOM 288 O SER A 19 -14.605 0.389 -0.707 1.00 0.00 O ATOM 289 CB SER A 19 -11.947 -0.227 1.309 1.00 0.00 C ATOM 290 OG SER A 19 -11.395 -1.371 0.664 1.00 0.00 O ATOM 0 H SER A 19 -11.737 2.278 1.601 1.00 0.00 H new ATOM 0 HA SER A 19 -12.095 0.526 -0.683 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.188 0.235 1.941 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.761 -0.538 1.964 1.00 0.00 H new ATOM 0 HG SER A 19 -10.608 -1.105 0.144 1.00 0.00 H new ATOM 296 N ALA A 20 -14.574 1.256 1.381 1.00 0.00 N ATOM 297 CA ALA A 20 -16.022 1.309 1.500 1.00 0.00 C ATOM 298 C ALA A 20 -16.542 -0.053 1.964 1.00 0.00 C ATOM 299 O ALA A 20 -17.727 -0.202 2.257 1.00 0.00 O ATOM 300 CB ALA A 20 -16.629 1.738 0.163 1.00 0.00 C ATOM 0 H ALA A 20 -14.066 1.594 2.199 1.00 0.00 H new ATOM 0 HA ALA A 20 -16.318 2.047 2.245 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -17.715 1.778 0.252 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -16.251 2.724 -0.109 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -16.355 1.019 -0.609 1.00 0.00 H new ATOM 306 N ASP A 21 -15.629 -1.012 2.018 1.00 0.00 N ATOM 307 CA ASP A 21 -15.980 -2.357 2.443 1.00 0.00 C ATOM 308 C ASP A 21 -15.362 -2.631 3.815 1.00 0.00 C ATOM 309 O ASP A 21 -15.828 -3.504 4.546 1.00 0.00 O ATOM 310 CB ASP A 21 -15.441 -3.402 1.464 1.00 0.00 C ATOM 311 CG ASP A 21 -13.946 -3.701 1.596 1.00 0.00 C ATOM 312 OD1 ASP A 21 -13.229 -2.801 2.085 1.00 0.00 O ATOM 313 OD2 ASP A 21 -13.556 -4.822 1.205 1.00 0.00 O ATOM 0 H ASP A 21 -14.647 -0.884 1.775 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.067 -2.426 2.481 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.996 -4.330 1.605 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -15.640 -3.062 0.448 1.00 0.00 H new ATOM 319 N LYS A 22 -14.323 -1.870 4.124 1.00 0.00 N ATOM 320 CA LYS A 22 -13.637 -2.021 5.396 1.00 0.00 C ATOM 321 C LYS A 22 -13.112 -3.452 5.522 1.00 0.00 C ATOM 322 O LYS A 22 -13.557 -4.207 6.385 1.00 0.00 O ATOM 323 CB LYS A 22 -14.547 -1.596 6.550 1.00 0.00 C ATOM 324 CG LYS A 22 -15.109 -0.192 6.316 1.00 0.00 C ATOM 325 CD LYS A 22 -14.004 0.862 6.401 1.00 0.00 C ATOM 326 CE LYS A 22 -14.295 1.874 7.511 1.00 0.00 C ATOM 327 NZ LYS A 22 -13.035 2.332 8.138 1.00 0.00 N ATOM 0 H LYS A 22 -13.939 -1.147 3.516 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.772 -1.359 5.442 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -15.367 -2.307 6.653 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -13.988 -1.617 7.485 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -15.586 -0.146 5.337 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -15.879 0.023 7.056 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.047 0.376 6.589 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -13.916 1.380 5.446 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -14.835 2.727 7.101 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.939 1.421 8.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.250 3.018 8.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.534 1.517 8.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.433 2.783 7.419 1.00 0.00 H new ATOM 341 N ASP A 23 -12.173 -3.784 4.647 1.00 0.00 N ATOM 342 CA ASP A 23 -11.584 -5.112 4.649 1.00 0.00 C ATOM 343 C ASP A 23 -10.135 -5.022 4.165 1.00 0.00 C ATOM 344 O ASP A 23 -9.885 -4.777 2.986 1.00 0.00 O ATOM 345 CB ASP A 23 -12.339 -6.052 3.708 1.00 0.00 C ATOM 346 CG ASP A 23 -12.882 -7.324 4.362 1.00 0.00 C ATOM 347 OD1 ASP A 23 -12.331 -7.697 5.421 1.00 0.00 O ATOM 348 OD2 ASP A 23 -13.834 -7.895 3.790 1.00 0.00 O ATOM 0 H ASP A 23 -11.806 -3.156 3.932 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.636 -5.502 5.665 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.172 -5.506 3.265 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.674 -6.336 2.893 1.00 0.00 H new ATOM 354 N ALA A 24 -9.218 -5.228 5.100 1.00 0.00 N ATOM 355 CA ALA A 24 -7.802 -5.174 4.783 1.00 0.00 C ATOM 356 C ALA A 24 -7.475 -6.244 3.739 1.00 0.00 C ATOM 357 O ALA A 24 -6.395 -6.234 3.152 1.00 0.00 O ATOM 358 CB ALA A 24 -6.985 -5.343 6.065 1.00 0.00 C ATOM 0 H ALA A 24 -9.429 -5.432 6.077 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.542 -4.206 4.355 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.922 -5.302 5.827 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.232 -4.542 6.762 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.218 -6.305 6.521 1.00 0.00 H new ATOM 364 N ASN A 25 -8.430 -7.141 3.540 1.00 0.00 N ATOM 365 CA ASN A 25 -8.258 -8.216 2.577 1.00 0.00 C ATOM 366 C ASN A 25 -8.484 -7.670 1.166 1.00 0.00 C ATOM 367 O ASN A 25 -7.619 -7.798 0.301 1.00 0.00 O ATOM 368 CB ASN A 25 -9.268 -9.338 2.818 1.00 0.00 C ATOM 369 CG ASN A 25 -8.615 -10.711 2.646 1.00 0.00 C ATOM 370 OD1 ASN A 25 -7.444 -10.834 2.325 1.00 0.00 O ATOM 371 ND2 ASN A 25 -9.434 -11.733 2.877 1.00 0.00 N ATOM 0 H ASN A 25 -9.325 -7.145 4.029 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.248 -8.611 2.688 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.680 -9.251 3.823 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.101 -9.238 2.122 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.093 -12.690 2.789 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.404 -11.560 3.142 1.00 0.00 H new ATOM 378 N VAL A 26 -9.652 -7.074 0.976 1.00 0.00 N ATOM 379 CA VAL A 26 -10.004 -6.510 -0.316 1.00 0.00 C ATOM 380 C VAL A 26 -9.187 -5.237 -0.550 1.00 0.00 C ATOM 381 O VAL A 26 -9.255 -4.641 -1.624 1.00 0.00 O ATOM 382 CB VAL A 26 -11.513 -6.272 -0.390 1.00 0.00 C ATOM 383 CG1 VAL A 26 -11.995 -6.258 -1.843 1.00 0.00 C ATOM 384 CG2 VAL A 26 -12.274 -7.317 0.429 1.00 0.00 C ATOM 0 H VAL A 26 -10.367 -6.969 1.696 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.759 -7.208 -1.117 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.719 -5.293 0.042 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -13.071 -6.087 -1.868 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.488 -5.461 -2.387 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.769 -7.216 -2.311 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.345 -7.125 0.359 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -12.058 -8.312 0.040 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.962 -7.260 1.472 1.00 0.00 H new ATOM 394 N ILE A 27 -8.433 -4.859 0.472 1.00 0.00 N ATOM 395 CA ILE A 27 -7.603 -3.669 0.390 1.00 0.00 C ATOM 396 C ILE A 27 -6.234 -4.045 -0.180 1.00 0.00 C ATOM 397 O ILE A 27 -5.888 -3.643 -1.289 1.00 0.00 O ATOM 398 CB ILE A 27 -7.534 -2.971 1.750 1.00 0.00 C ATOM 399 CG1 ILE A 27 -8.866 -2.299 2.091 1.00 0.00 C ATOM 400 CG2 ILE A 27 -6.365 -1.983 1.799 1.00 0.00 C ATOM 401 CD1 ILE A 27 -8.936 -1.943 3.577 1.00 0.00 C ATOM 0 H ILE A 27 -8.380 -5.356 1.361 1.00 0.00 H new ATOM 0 HA ILE A 27 -8.043 -2.943 -0.293 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.351 -3.727 2.513 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -8.986 -1.397 1.491 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.690 -2.965 1.834 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.338 -1.500 2.776 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.430 -2.517 1.632 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.494 -1.227 1.024 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.893 -1.467 3.792 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -8.840 -2.850 4.173 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.126 -1.258 3.826 1.00 0.00 H new ATOM 413 N LYS A 28 -5.493 -4.811 0.606 1.00 0.00 N ATOM 414 CA LYS A 28 -4.168 -5.246 0.193 1.00 0.00 C ATOM 415 C LYS A 28 -4.253 -5.873 -1.200 1.00 0.00 C ATOM 416 O LYS A 28 -3.354 -5.694 -2.020 1.00 0.00 O ATOM 417 CB LYS A 28 -3.556 -6.171 1.248 1.00 0.00 C ATOM 418 CG LYS A 28 -4.171 -7.570 1.174 1.00 0.00 C ATOM 419 CD LYS A 28 -4.142 -8.255 2.542 1.00 0.00 C ATOM 420 CE LYS A 28 -2.715 -8.334 3.085 1.00 0.00 C ATOM 421 NZ LYS A 28 -2.562 -9.508 3.973 1.00 0.00 N ATOM 0 H LYS A 28 -5.784 -5.142 1.526 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.493 -4.394 0.118 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.478 -6.235 1.099 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.716 -5.752 2.241 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.200 -7.501 0.820 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.624 -8.174 0.449 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.771 -7.705 3.242 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.559 -9.258 2.459 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.008 -8.402 2.258 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.477 -7.422 3.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.620 -9.490 4.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.291 -9.480 4.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.668 -10.380 3.417 1.00 0.00 H new ATOM 435 N LYS A 29 -5.341 -6.594 -1.424 1.00 0.00 N ATOM 436 CA LYS A 29 -5.555 -7.249 -2.704 1.00 0.00 C ATOM 437 C LYS A 29 -5.762 -6.187 -3.786 1.00 0.00 C ATOM 438 O LYS A 29 -5.145 -6.250 -4.849 1.00 0.00 O ATOM 439 CB LYS A 29 -6.700 -8.259 -2.605 1.00 0.00 C ATOM 440 CG LYS A 29 -6.176 -9.648 -2.239 1.00 0.00 C ATOM 441 CD LYS A 29 -7.188 -10.406 -1.377 1.00 0.00 C ATOM 442 CE LYS A 29 -8.441 -10.754 -2.182 1.00 0.00 C ATOM 443 NZ LYS A 29 -8.164 -11.864 -3.120 1.00 0.00 N ATOM 0 H LYS A 29 -6.084 -6.739 -0.741 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.676 -7.827 -2.988 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.418 -7.928 -1.854 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.231 -8.306 -3.555 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.970 -10.214 -3.147 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.232 -9.555 -1.701 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.733 -11.319 -0.993 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.463 -9.800 -0.514 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.248 -11.035 -1.506 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.779 -9.878 -2.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.057 -12.200 -3.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.535 -11.529 -3.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.704 -12.644 -2.608 1.00 0.00 H new ATOM 457 N ASP A 30 -6.633 -5.236 -3.478 1.00 0.00 N ATOM 458 CA ASP A 30 -6.928 -4.162 -4.411 1.00 0.00 C ATOM 459 C ASP A 30 -5.618 -3.553 -4.914 1.00 0.00 C ATOM 460 O ASP A 30 -5.399 -3.455 -6.121 1.00 0.00 O ATOM 461 CB ASP A 30 -7.737 -3.053 -3.735 1.00 0.00 C ATOM 462 CG ASP A 30 -9.195 -2.950 -4.185 1.00 0.00 C ATOM 463 OD1 ASP A 30 -9.478 -3.424 -5.307 1.00 0.00 O ATOM 464 OD2 ASP A 30 -9.994 -2.398 -3.398 1.00 0.00 O ATOM 0 H ASP A 30 -7.143 -5.187 -2.596 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.507 -4.580 -5.234 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.716 -3.214 -2.657 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.246 -2.099 -3.924 1.00 0.00 H new ATOM 470 N PHE A 31 -4.782 -3.162 -3.964 1.00 0.00 N ATOM 471 CA PHE A 31 -3.499 -2.565 -4.296 1.00 0.00 C ATOM 472 C PHE A 31 -2.814 -3.333 -5.427 1.00 0.00 C ATOM 473 O PHE A 31 -2.502 -2.763 -6.471 1.00 0.00 O ATOM 474 CB PHE A 31 -2.630 -2.647 -3.040 1.00 0.00 C ATOM 475 CG PHE A 31 -1.152 -2.336 -3.285 1.00 0.00 C ATOM 476 CD1 PHE A 31 -0.347 -3.270 -3.858 1.00 0.00 C ATOM 477 CD2 PHE A 31 -0.644 -1.126 -2.929 1.00 0.00 C ATOM 478 CE1 PHE A 31 1.025 -2.982 -4.085 1.00 0.00 C ATOM 479 CE2 PHE A 31 0.729 -0.837 -3.157 1.00 0.00 C ATOM 480 CZ PHE A 31 1.533 -1.771 -3.730 1.00 0.00 C ATOM 0 H PHE A 31 -4.967 -3.247 -2.965 1.00 0.00 H new ATOM 0 HA PHE A 31 -3.641 -1.536 -4.626 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.019 -1.952 -2.296 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.715 -3.648 -2.616 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.751 -4.231 -4.141 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.284 -0.385 -2.473 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.665 -3.724 -4.539 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.133 0.124 -2.875 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.576 -1.552 -3.904 1.00 0.00 H new ATOM 490 N ASP A 32 -2.598 -4.618 -5.181 1.00 0.00 N ATOM 491 CA ASP A 32 -1.954 -5.470 -6.166 1.00 0.00 C ATOM 492 C ASP A 32 -2.620 -5.261 -7.529 1.00 0.00 C ATOM 493 O ASP A 32 -1.981 -5.425 -8.567 1.00 0.00 O ATOM 494 CB ASP A 32 -2.096 -6.947 -5.793 1.00 0.00 C ATOM 495 CG ASP A 32 -1.436 -7.927 -6.766 1.00 0.00 C ATOM 496 OD1 ASP A 32 -1.910 -7.984 -7.921 1.00 0.00 O ATOM 497 OD2 ASP A 32 -0.473 -8.595 -6.332 1.00 0.00 O ATOM 0 H ASP A 32 -2.858 -5.089 -4.314 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.897 -5.206 -6.200 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.668 -7.099 -4.802 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.157 -7.188 -5.722 1.00 0.00 H new ATOM 503 N ALA A 33 -3.895 -4.903 -7.480 1.00 0.00 N ATOM 504 CA ALA A 33 -4.654 -4.670 -8.696 1.00 0.00 C ATOM 505 C ALA A 33 -4.107 -3.428 -9.403 1.00 0.00 C ATOM 506 O ALA A 33 -3.631 -3.512 -10.534 1.00 0.00 O ATOM 507 CB ALA A 33 -6.140 -4.539 -8.355 1.00 0.00 C ATOM 0 H ALA A 33 -4.421 -4.769 -6.617 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.550 -5.512 -9.380 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.709 -4.364 -9.268 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.487 -5.457 -7.882 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.284 -3.702 -7.672 1.00 0.00 H new ATOM 513 N GLU A 34 -4.195 -2.303 -8.707 1.00 0.00 N ATOM 514 CA GLU A 34 -3.714 -1.046 -9.254 1.00 0.00 C ATOM 515 C GLU A 34 -2.207 -0.910 -9.029 1.00 0.00 C ATOM 516 O GLU A 34 -1.681 0.200 -8.978 1.00 0.00 O ATOM 517 CB GLU A 34 -4.468 0.139 -8.647 1.00 0.00 C ATOM 518 CG GLU A 34 -4.164 1.431 -9.409 1.00 0.00 C ATOM 519 CD GLU A 34 -4.232 1.204 -10.921 1.00 0.00 C ATOM 520 OE1 GLU A 34 -3.234 0.680 -11.461 1.00 0.00 O ATOM 521 OE2 GLU A 34 -5.279 1.561 -11.502 1.00 0.00 O ATOM 0 H GLU A 34 -4.592 -2.236 -7.770 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.902 -1.044 -10.328 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.540 -0.057 -8.670 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.188 0.255 -7.600 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.877 2.204 -9.121 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.173 1.794 -9.136 1.00 0.00 H new ATOM 529 N CYS A 35 -1.554 -2.057 -8.901 1.00 0.00 N ATOM 530 CA CYS A 35 -0.118 -2.080 -8.684 1.00 0.00 C ATOM 531 C CYS A 35 0.522 -2.922 -9.788 1.00 0.00 C ATOM 532 O CYS A 35 1.506 -2.507 -10.399 1.00 0.00 O ATOM 533 CB CYS A 35 0.234 -2.603 -7.289 1.00 0.00 C ATOM 534 SG CYS A 35 1.964 -2.303 -6.771 1.00 0.00 S ATOM 0 H CYS A 35 -1.994 -2.976 -8.944 1.00 0.00 H new ATOM 0 HA CYS A 35 0.276 -1.065 -8.730 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.434 -2.139 -6.563 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.041 -3.675 -7.259 1.00 0.00 H new ATOM 539 N LYS A 36 -0.061 -4.091 -10.011 1.00 0.00 N ATOM 540 CA LYS A 36 0.440 -4.995 -11.031 1.00 0.00 C ATOM 541 C LYS A 36 0.294 -4.338 -12.405 1.00 0.00 C ATOM 542 O LYS A 36 1.165 -4.482 -13.262 1.00 0.00 O ATOM 543 CB LYS A 36 -0.249 -6.357 -10.925 1.00 0.00 C ATOM 544 CG LYS A 36 0.579 -7.325 -10.077 1.00 0.00 C ATOM 545 CD LYS A 36 0.197 -8.777 -10.371 1.00 0.00 C ATOM 546 CE LYS A 36 1.367 -9.536 -11.001 1.00 0.00 C ATOM 547 NZ LYS A 36 0.942 -10.194 -12.256 1.00 0.00 N ATOM 0 H LYS A 36 -0.876 -4.433 -9.502 1.00 0.00 H new ATOM 0 HA LYS A 36 1.502 -5.188 -10.880 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.238 -6.235 -10.483 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.394 -6.774 -11.922 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.640 -7.176 -10.280 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.424 -7.112 -9.019 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.106 -9.271 -9.448 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.661 -8.802 -11.043 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.187 -8.848 -11.204 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.743 -10.282 -10.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.748 -10.704 -12.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.174 -10.865 -12.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.605 -9.475 -12.928 1.00 0.00 H new ATOM 561 N LYS A 37 -0.815 -3.631 -12.572 1.00 0.00 N ATOM 562 CA LYS A 37 -1.085 -2.952 -13.827 1.00 0.00 C ATOM 563 C LYS A 37 -0.391 -1.588 -13.826 1.00 0.00 C ATOM 564 O LYS A 37 0.104 -1.139 -14.858 1.00 0.00 O ATOM 565 CB LYS A 37 -2.592 -2.874 -14.080 1.00 0.00 C ATOM 566 CG LYS A 37 -3.166 -4.253 -14.406 1.00 0.00 C ATOM 567 CD LYS A 37 -4.015 -4.783 -13.247 1.00 0.00 C ATOM 568 CE LYS A 37 -5.282 -3.945 -13.069 1.00 0.00 C ATOM 569 NZ LYS A 37 -6.331 -4.385 -14.016 1.00 0.00 N ATOM 0 H LYS A 37 -1.536 -3.514 -11.860 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.673 -3.519 -14.662 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.091 -2.467 -13.201 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.791 -2.189 -14.905 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.774 -4.194 -15.309 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.353 -4.949 -14.614 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.285 -5.822 -13.435 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.431 -4.767 -12.327 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.646 -4.037 -12.046 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.055 -2.892 -13.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.185 -3.806 -13.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.987 -4.274 -14.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.560 -5.384 -13.841 1.00 0.00 H new ATOM 583 N LEU A 38 -0.376 -0.970 -12.655 1.00 0.00 N ATOM 584 CA LEU A 38 0.251 0.333 -12.505 1.00 0.00 C ATOM 585 C LEU A 38 1.758 0.199 -12.730 1.00 0.00 C ATOM 586 O LEU A 38 2.294 0.731 -13.700 1.00 0.00 O ATOM 587 CB LEU A 38 -0.117 0.952 -11.154 1.00 0.00 C ATOM 588 CG LEU A 38 0.802 2.069 -10.656 1.00 0.00 C ATOM 589 CD1 LEU A 38 1.181 3.017 -11.795 1.00 0.00 C ATOM 590 CD2 LEU A 38 0.171 2.813 -9.477 1.00 0.00 C ATOM 0 H LEU A 38 -0.788 -1.346 -11.801 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.123 1.025 -13.260 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.131 1.346 -11.221 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.132 0.160 -10.406 1.00 0.00 H new ATOM 0 HG LEU A 38 1.725 1.616 -10.295 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.835 3.801 -11.413 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.700 2.460 -12.575 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.279 3.466 -12.210 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.845 3.602 -9.142 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.776 3.253 -9.789 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.006 2.115 -8.659 1.00 0.00 H new ATOM 602 N PHE A 39 2.399 -0.516 -11.816 1.00 0.00 N ATOM 603 CA PHE A 39 3.834 -0.727 -11.903 1.00 0.00 C ATOM 604 C PHE A 39 4.156 -1.975 -12.727 1.00 0.00 C ATOM 605 O PHE A 39 5.192 -2.605 -12.526 1.00 0.00 O ATOM 606 CB PHE A 39 4.343 -0.928 -10.475 1.00 0.00 C ATOM 607 CG PHE A 39 3.774 0.070 -9.464 1.00 0.00 C ATOM 608 CD1 PHE A 39 4.409 1.253 -9.245 1.00 0.00 C ATOM 609 CD2 PHE A 39 2.635 -0.225 -8.785 1.00 0.00 C ATOM 610 CE1 PHE A 39 3.882 2.179 -8.307 1.00 0.00 C ATOM 611 CE2 PHE A 39 2.107 0.701 -7.847 1.00 0.00 C ATOM 612 CZ PHE A 39 2.742 1.884 -7.628 1.00 0.00 C ATOM 0 H PHE A 39 1.951 -0.956 -11.012 1.00 0.00 H new ATOM 0 HA PHE A 39 4.307 0.127 -12.388 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.095 -1.939 -10.151 1.00 0.00 H new ATOM 0 HB3 PHE A 39 5.430 -0.851 -10.474 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.314 1.488 -9.785 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.131 -1.164 -8.959 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.387 3.118 -8.133 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.201 0.466 -7.307 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.340 2.589 -6.915 1.00 0.00 H new ATOM 622 N HIS A 40 3.248 -2.292 -13.639 1.00 0.00 N ATOM 623 CA HIS A 40 3.422 -3.453 -14.495 1.00 0.00 C ATOM 624 C HIS A 40 4.763 -3.356 -15.226 1.00 0.00 C ATOM 625 O HIS A 40 5.557 -4.294 -15.204 1.00 0.00 O ATOM 626 CB HIS A 40 2.236 -3.607 -15.449 1.00 0.00 C ATOM 627 CG HIS A 40 2.568 -3.317 -16.893 1.00 0.00 C ATOM 628 ND1 HIS A 40 3.578 -3.970 -17.577 1.00 0.00 N ATOM 629 CD2 HIS A 40 2.013 -2.435 -17.776 1.00 0.00 C ATOM 630 CE1 HIS A 40 3.621 -3.496 -18.814 1.00 0.00 C ATOM 631 NE2 HIS A 40 2.651 -2.545 -18.934 1.00 0.00 N ATOM 0 H HIS A 40 2.390 -1.765 -13.803 1.00 0.00 H new ATOM 0 HA HIS A 40 3.444 -4.357 -13.887 1.00 0.00 H new ATOM 0 HB2 HIS A 40 1.851 -4.624 -15.373 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.437 -2.939 -15.129 1.00 0.00 H new ATOM 0 HD2 HIS A 40 1.194 -1.763 -17.567 1.00 0.00 H new ATOM 0 HE1 HIS A 40 4.304 -3.808 -19.590 1.00 0.00 H new ATOM 0 HE2 HIS A 40 2.449 -2.006 -19.776 1.00 0.00 H new ATOM 640 N THR A 41 4.974 -2.210 -15.857 1.00 0.00 N ATOM 641 CA THR A 41 6.205 -1.977 -16.594 1.00 0.00 C ATOM 642 C THR A 41 7.418 -2.196 -15.688 1.00 0.00 C ATOM 643 O THR A 41 8.374 -2.866 -16.076 1.00 0.00 O ATOM 644 CB THR A 41 6.138 -0.570 -17.192 1.00 0.00 C ATOM 645 OG1 THR A 41 6.184 0.291 -16.058 1.00 0.00 O ATOM 646 CG2 THR A 41 4.783 -0.270 -17.834 1.00 0.00 C ATOM 0 H THR A 41 4.314 -1.433 -15.873 1.00 0.00 H new ATOM 0 HA THR A 41 6.318 -2.688 -17.412 1.00 0.00 H new ATOM 0 HB THR A 41 6.925 -0.455 -17.937 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.147 1.224 -16.354 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.790 0.741 -18.242 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.594 -0.984 -18.636 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.998 -0.352 -17.082 1.00 0.00 H new ATOM 654 N ILE A 42 7.340 -1.617 -14.498 1.00 0.00 N ATOM 655 CA ILE A 42 8.420 -1.741 -13.534 1.00 0.00 C ATOM 656 C ILE A 42 8.906 -3.192 -13.502 1.00 0.00 C ATOM 657 O ILE A 42 8.108 -4.120 -13.620 1.00 0.00 O ATOM 658 CB ILE A 42 7.982 -1.210 -12.168 1.00 0.00 C ATOM 659 CG1 ILE A 42 7.650 0.282 -12.240 1.00 0.00 C ATOM 660 CG2 ILE A 42 9.033 -1.512 -11.099 1.00 0.00 C ATOM 661 CD1 ILE A 42 7.716 0.927 -10.855 1.00 0.00 C ATOM 0 H ILE A 42 6.546 -1.061 -14.180 1.00 0.00 H new ATOM 0 HA ILE A 42 9.269 -1.126 -13.833 1.00 0.00 H new ATOM 0 HB ILE A 42 7.069 -1.729 -11.877 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.349 0.781 -12.911 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.653 0.416 -12.660 1.00 0.00 H new ATOM 0 HG21 ILE A 42 8.696 -1.124 -10.138 1.00 0.00 H new ATOM 0 HG22 ILE A 42 9.177 -2.590 -11.025 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.976 -1.038 -11.372 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.476 1.987 -10.936 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.999 0.442 -10.193 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.721 0.813 -10.448 1.00 0.00 H new ATOM 673 N PRO A 43 10.247 -3.344 -13.339 1.00 0.00 N ATOM 674 CA PRO A 43 10.850 -4.666 -13.291 1.00 0.00 C ATOM 675 C PRO A 43 10.574 -5.345 -11.948 1.00 0.00 C ATOM 676 O PRO A 43 10.073 -6.468 -11.907 1.00 0.00 O ATOM 677 CB PRO A 43 12.330 -4.433 -13.546 1.00 0.00 C ATOM 678 CG PRO A 43 12.575 -2.959 -13.265 1.00 0.00 C ATOM 679 CD PRO A 43 11.223 -2.267 -13.197 1.00 0.00 C ATOM 0 HA PRO A 43 10.434 -5.346 -14.035 1.00 0.00 H new ATOM 0 HB2 PRO A 43 12.941 -5.061 -12.898 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.593 -4.684 -14.574 1.00 0.00 H new ATOM 0 HG2 PRO A 43 13.116 -2.834 -12.327 1.00 0.00 H new ATOM 0 HG3 PRO A 43 13.191 -2.518 -14.049 1.00 0.00 H new ATOM 0 HD2 PRO A 43 11.095 -1.739 -12.252 1.00 0.00 H new ATOM 0 HD3 PRO A 43 11.116 -1.528 -13.991 1.00 0.00 H new ATOM 687 N PHE A 44 10.913 -4.636 -10.882 1.00 0.00 N ATOM 688 CA PHE A 44 10.708 -5.157 -9.540 1.00 0.00 C ATOM 689 C PHE A 44 9.539 -4.451 -8.850 1.00 0.00 C ATOM 690 O PHE A 44 9.552 -4.266 -7.635 1.00 0.00 O ATOM 691 CB PHE A 44 11.991 -4.881 -8.753 1.00 0.00 C ATOM 692 CG PHE A 44 12.598 -3.501 -9.015 1.00 0.00 C ATOM 693 CD1 PHE A 44 11.925 -2.381 -8.640 1.00 0.00 C ATOM 694 CD2 PHE A 44 13.811 -3.396 -9.621 1.00 0.00 C ATOM 695 CE1 PHE A 44 12.489 -1.100 -8.883 1.00 0.00 C ATOM 696 CE2 PHE A 44 14.374 -2.115 -9.864 1.00 0.00 C ATOM 697 CZ PHE A 44 13.701 -0.995 -9.490 1.00 0.00 C ATOM 0 H PHE A 44 11.328 -3.705 -10.919 1.00 0.00 H new ATOM 0 HA PHE A 44 10.479 -6.222 -9.585 1.00 0.00 H new ATOM 0 HB2 PHE A 44 11.779 -4.977 -7.688 1.00 0.00 H new ATOM 0 HB3 PHE A 44 12.729 -5.644 -9.002 1.00 0.00 H new ATOM 0 HD1 PHE A 44 10.962 -2.465 -8.158 1.00 0.00 H new ATOM 0 HD2 PHE A 44 14.346 -4.286 -9.917 1.00 0.00 H new ATOM 0 HE1 PHE A 44 11.955 -0.210 -8.586 1.00 0.00 H new ATOM 0 HE2 PHE A 44 15.337 -2.031 -10.346 1.00 0.00 H new ATOM 0 HZ PHE A 44 14.129 -0.021 -9.675 1.00 0.00 H new ATOM 707 N GLY A 45 8.558 -4.074 -9.657 1.00 0.00 N ATOM 708 CA GLY A 45 7.384 -3.392 -9.140 1.00 0.00 C ATOM 709 C GLY A 45 6.341 -4.396 -8.645 1.00 0.00 C ATOM 710 O GLY A 45 5.909 -4.330 -7.495 1.00 0.00 O ATOM 0 H GLY A 45 8.552 -4.228 -10.665 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.673 -2.730 -8.324 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.950 -2.766 -9.919 1.00 0.00 H new ATOM 714 N THR A 46 5.967 -5.302 -9.536 1.00 0.00 N ATOM 715 CA THR A 46 4.983 -6.317 -9.204 1.00 0.00 C ATOM 716 C THR A 46 5.471 -7.169 -8.030 1.00 0.00 C ATOM 717 O THR A 46 4.698 -7.493 -7.131 1.00 0.00 O ATOM 718 CB THR A 46 4.699 -7.131 -10.469 1.00 0.00 C ATOM 719 OG1 THR A 46 5.912 -7.836 -10.708 1.00 0.00 O ATOM 720 CG2 THR A 46 4.529 -6.249 -11.707 1.00 0.00 C ATOM 0 H THR A 46 6.328 -5.354 -10.488 1.00 0.00 H new ATOM 0 HA THR A 46 4.047 -5.868 -8.872 1.00 0.00 H new ATOM 0 HB THR A 46 3.798 -7.727 -10.322 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.815 -8.391 -11.510 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.330 -6.876 -12.576 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.695 -5.565 -11.554 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.442 -5.677 -11.874 1.00 0.00 H new ATOM 728 N ARG A 47 6.751 -7.507 -8.078 1.00 0.00 N ATOM 729 CA ARG A 47 7.351 -8.315 -7.031 1.00 0.00 C ATOM 730 C ARG A 47 7.239 -7.603 -5.681 1.00 0.00 C ATOM 731 O ARG A 47 6.923 -8.227 -4.670 1.00 0.00 O ATOM 732 CB ARG A 47 8.825 -8.598 -7.328 1.00 0.00 C ATOM 733 CG ARG A 47 8.981 -9.360 -8.647 1.00 0.00 C ATOM 734 CD ARG A 47 8.547 -10.818 -8.492 1.00 0.00 C ATOM 735 NE ARG A 47 9.712 -11.657 -8.130 1.00 0.00 N ATOM 736 CZ ARG A 47 9.617 -12.899 -7.634 1.00 0.00 C ATOM 737 NH1 ARG A 47 8.413 -13.453 -7.438 1.00 0.00 N ATOM 738 NH2 ARG A 47 10.728 -13.585 -7.334 1.00 0.00 N ATOM 0 H ARG A 47 7.389 -7.236 -8.826 1.00 0.00 H new ATOM 0 HA ARG A 47 6.811 -9.261 -6.994 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.377 -7.659 -7.379 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.259 -9.179 -6.514 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.384 -8.879 -9.422 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.020 -9.319 -8.974 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.778 -10.898 -7.723 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.106 -11.176 -9.422 1.00 0.00 H new ATOM 0 HE ARG A 47 10.644 -11.266 -8.266 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.568 -12.930 -7.666 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.342 -14.398 -7.061 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.644 -13.162 -7.483 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.658 -14.530 -6.957 1.00 0.00 H new ATOM 752 N GLU A 48 7.502 -6.305 -5.709 1.00 0.00 N ATOM 753 CA GLU A 48 7.435 -5.501 -4.501 1.00 0.00 C ATOM 754 C GLU A 48 5.977 -5.281 -4.091 1.00 0.00 C ATOM 755 O GLU A 48 5.680 -5.114 -2.910 1.00 0.00 O ATOM 756 CB GLU A 48 8.160 -4.165 -4.690 1.00 0.00 C ATOM 757 CG GLU A 48 9.409 -4.092 -3.810 1.00 0.00 C ATOM 758 CD GLU A 48 9.088 -4.482 -2.366 1.00 0.00 C ATOM 759 OE1 GLU A 48 8.118 -3.908 -1.825 1.00 0.00 O ATOM 760 OE2 GLU A 48 9.820 -5.346 -1.835 1.00 0.00 O ATOM 0 H GLU A 48 7.762 -5.790 -6.550 1.00 0.00 H new ATOM 0 HA GLU A 48 7.940 -6.040 -3.700 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.440 -4.044 -5.736 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.488 -3.344 -4.443 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.177 -4.756 -4.207 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.817 -3.082 -3.835 1.00 0.00 H new ATOM 768 N CYS A 49 5.107 -5.286 -5.090 1.00 0.00 N ATOM 769 CA CYS A 49 3.689 -5.090 -4.849 1.00 0.00 C ATOM 770 C CYS A 49 3.227 -6.129 -3.825 1.00 0.00 C ATOM 771 O CYS A 49 2.850 -5.780 -2.707 1.00 0.00 O ATOM 772 CB CYS A 49 2.878 -5.165 -6.144 1.00 0.00 C ATOM 773 SG CYS A 49 3.182 -3.797 -7.320 1.00 0.00 S ATOM 0 H CYS A 49 5.358 -5.423 -6.069 1.00 0.00 H new ATOM 0 HA CYS A 49 3.521 -4.089 -4.451 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.100 -6.109 -6.641 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.818 -5.180 -5.892 1.00 0.00 H new ATOM 778 N ASP A 50 3.273 -7.386 -4.243 1.00 0.00 N ATOM 779 CA ASP A 50 2.863 -8.477 -3.377 1.00 0.00 C ATOM 780 C ASP A 50 3.692 -8.441 -2.091 1.00 0.00 C ATOM 781 O ASP A 50 3.242 -8.907 -1.045 1.00 0.00 O ATOM 782 CB ASP A 50 3.095 -9.831 -4.050 1.00 0.00 C ATOM 783 CG ASP A 50 2.197 -10.965 -3.550 1.00 0.00 C ATOM 784 OD1 ASP A 50 2.452 -11.433 -2.419 1.00 0.00 O ATOM 785 OD2 ASP A 50 1.279 -11.338 -4.311 1.00 0.00 O ATOM 0 H ASP A 50 3.588 -7.672 -5.170 1.00 0.00 H new ATOM 0 HA ASP A 50 1.801 -8.357 -3.164 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.946 -9.716 -5.124 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.136 -10.120 -3.902 1.00 0.00 H new ATOM 791 N HIS A 51 4.887 -7.881 -2.211 1.00 0.00 N ATOM 792 CA HIS A 51 5.782 -7.778 -1.071 1.00 0.00 C ATOM 793 C HIS A 51 5.402 -6.559 -0.229 1.00 0.00 C ATOM 794 O HIS A 51 6.036 -6.280 0.788 1.00 0.00 O ATOM 795 CB HIS A 51 7.242 -7.749 -1.529 1.00 0.00 C ATOM 796 CG HIS A 51 8.016 -9.003 -1.193 1.00 0.00 C ATOM 797 ND1 HIS A 51 7.740 -10.230 -1.770 1.00 0.00 N ATOM 798 CD2 HIS A 51 9.056 -9.205 -0.335 1.00 0.00 C ATOM 799 CE1 HIS A 51 8.583 -11.123 -1.275 1.00 0.00 C ATOM 800 NE2 HIS A 51 9.398 -10.487 -0.385 1.00 0.00 N ATOM 0 H HIS A 51 5.256 -7.494 -3.080 1.00 0.00 H new ATOM 0 HA HIS A 51 5.676 -8.660 -0.440 1.00 0.00 H new ATOM 0 HB2 HIS A 51 7.271 -7.594 -2.608 1.00 0.00 H new ATOM 0 HB3 HIS A 51 7.739 -6.894 -1.071 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.523 -8.450 0.281 1.00 0.00 H new ATOM 0 HE1 HIS A 51 8.619 -12.172 -1.531 1.00 0.00 H new ATOM 0 HE2 HIS A 51 10.146 -10.924 0.153 1.00 0.00 H new ATOM 809 N TYR A 52 4.367 -5.865 -0.682 1.00 0.00 N ATOM 810 CA TYR A 52 3.895 -4.683 0.016 1.00 0.00 C ATOM 811 C TYR A 52 2.509 -4.922 0.622 1.00 0.00 C ATOM 812 O TYR A 52 2.285 -4.638 1.798 1.00 0.00 O ATOM 813 CB TYR A 52 3.793 -3.580 -1.039 1.00 0.00 C ATOM 814 CG TYR A 52 3.611 -2.177 -0.458 1.00 0.00 C ATOM 815 CD1 TYR A 52 4.638 -1.585 0.249 1.00 0.00 C ATOM 816 CD2 TYR A 52 2.421 -1.502 -0.642 1.00 0.00 C ATOM 817 CE1 TYR A 52 4.467 -0.264 0.797 1.00 0.00 C ATOM 818 CE2 TYR A 52 2.251 -0.182 -0.095 1.00 0.00 C ATOM 819 CZ TYR A 52 3.282 0.372 0.597 1.00 0.00 C ATOM 820 OH TYR A 52 3.120 1.620 1.114 1.00 0.00 O ATOM 0 H TYR A 52 3.843 -6.100 -1.525 1.00 0.00 H new ATOM 0 HA TYR A 52 4.573 -4.422 0.828 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.694 -3.594 -1.652 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.954 -3.800 -1.700 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.570 -2.112 0.391 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.618 -1.965 -1.196 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.262 0.210 1.354 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.325 0.357 -0.231 1.00 0.00 H new ATOM 0 HH TYR A 52 3.993 1.984 1.370 1.00 0.00 H new ATOM 830 N VAL A 53 1.617 -5.439 -0.208 1.00 0.00 N ATOM 831 CA VAL A 53 0.260 -5.719 0.230 1.00 0.00 C ATOM 832 C VAL A 53 0.305 -6.581 1.493 1.00 0.00 C ATOM 833 O VAL A 53 -0.662 -6.626 2.252 1.00 0.00 O ATOM 834 CB VAL A 53 -0.535 -6.364 -0.907 1.00 0.00 C ATOM 835 CG1 VAL A 53 -0.335 -5.602 -2.218 1.00 0.00 C ATOM 836 CG2 VAL A 53 -0.160 -7.839 -1.069 1.00 0.00 C ATOM 0 H VAL A 53 1.807 -5.672 -1.183 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.258 -4.794 0.485 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.592 -6.312 -0.647 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.911 -6.082 -3.009 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.673 -4.573 -2.096 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.722 -5.608 -2.484 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.739 -8.274 -1.883 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.903 -7.921 -1.295 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.377 -8.373 -0.144 1.00 0.00 H new ATOM 846 N ASN A 54 1.436 -7.245 1.679 1.00 0.00 N ATOM 847 CA ASN A 54 1.620 -8.103 2.837 1.00 0.00 C ATOM 848 C ASN A 54 3.025 -7.892 3.405 1.00 0.00 C ATOM 849 O ASN A 54 3.881 -8.769 3.292 1.00 0.00 O ATOM 850 CB ASN A 54 1.478 -9.578 2.457 1.00 0.00 C ATOM 851 CG ASN A 54 0.740 -10.356 3.547 1.00 0.00 C ATOM 852 OD1 ASN A 54 0.552 -9.891 4.659 1.00 0.00 O ATOM 853 ND2 ASN A 54 0.334 -11.565 3.168 1.00 0.00 N ATOM 0 H ASN A 54 2.235 -7.206 1.046 1.00 0.00 H new ATOM 0 HA ASN A 54 0.858 -7.846 3.572 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.937 -9.664 1.514 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.465 -10.013 2.299 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.168 -12.164 3.824 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.524 -11.893 2.221 1.00 0.00 H new ATOM 860 N SER A 55 3.219 -6.727 4.002 1.00 0.00 N ATOM 861 CA SER A 55 4.506 -6.391 4.589 1.00 0.00 C ATOM 862 C SER A 55 4.525 -4.917 4.998 1.00 0.00 C ATOM 863 O SER A 55 5.163 -4.552 5.985 1.00 0.00 O ATOM 864 CB SER A 55 5.648 -6.686 3.614 1.00 0.00 C ATOM 865 OG SER A 55 6.553 -7.659 4.132 1.00 0.00 O ATOM 0 H SER A 55 2.507 -6.002 4.093 1.00 0.00 H new ATOM 0 HA SER A 55 4.651 -7.009 5.475 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.236 -7.040 2.669 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.189 -5.765 3.400 1.00 0.00 H new ATOM 0 HG SER A 55 7.267 -7.822 3.480 1.00 0.00 H new ATOM 871 N LYS A 56 3.820 -4.110 4.220 1.00 0.00 N ATOM 872 CA LYS A 56 3.748 -2.684 4.490 1.00 0.00 C ATOM 873 C LYS A 56 2.282 -2.250 4.531 1.00 0.00 C ATOM 874 O LYS A 56 1.985 -1.066 4.680 1.00 0.00 O ATOM 875 CB LYS A 56 4.591 -1.904 3.479 1.00 0.00 C ATOM 876 CG LYS A 56 6.041 -2.394 3.481 1.00 0.00 C ATOM 877 CD LYS A 56 6.801 -1.853 4.693 1.00 0.00 C ATOM 878 CE LYS A 56 7.543 -2.976 5.421 1.00 0.00 C ATOM 879 NZ LYS A 56 8.872 -2.509 5.875 1.00 0.00 N ATOM 0 H LYS A 56 3.293 -4.416 3.402 1.00 0.00 H new ATOM 0 HA LYS A 56 4.175 -2.460 5.468 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.166 -2.017 2.482 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.562 -0.841 3.719 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.060 -3.484 3.492 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.537 -2.076 2.564 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.512 -1.092 4.371 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.104 -1.369 5.377 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.957 -3.312 6.277 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.659 -3.833 4.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.328 -3.254 6.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 9.464 -2.290 5.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.760 -1.654 6.456 1.00 0.00 H new ATOM 893 N VAL A 57 1.403 -3.233 4.398 1.00 0.00 N ATOM 894 CA VAL A 57 -0.026 -2.967 4.418 1.00 0.00 C ATOM 895 C VAL A 57 -0.569 -3.229 5.824 1.00 0.00 C ATOM 896 O VAL A 57 -1.360 -2.443 6.344 1.00 0.00 O ATOM 897 CB VAL A 57 -0.728 -3.798 3.342 1.00 0.00 C ATOM 898 CG1 VAL A 57 -2.143 -4.181 3.782 1.00 0.00 C ATOM 899 CG2 VAL A 57 -0.751 -3.056 2.004 1.00 0.00 C ATOM 0 H VAL A 57 1.653 -4.214 4.276 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.223 -1.921 4.182 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.159 -4.718 3.204 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.620 -4.771 3.000 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.093 -4.768 4.699 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.725 -3.277 3.961 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.255 -3.669 1.257 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.285 -2.113 2.120 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.271 -2.857 1.681 1.00 0.00 H new ATOM 909 N ASP A 58 -0.121 -4.335 6.401 1.00 0.00 N ATOM 910 CA ASP A 58 -0.552 -4.708 7.737 1.00 0.00 C ATOM 911 C ASP A 58 -0.281 -3.550 8.698 1.00 0.00 C ATOM 912 O ASP A 58 -1.129 -3.213 9.524 1.00 0.00 O ATOM 913 CB ASP A 58 0.217 -5.932 8.242 1.00 0.00 C ATOM 914 CG ASP A 58 -0.648 -7.025 8.871 1.00 0.00 C ATOM 915 OD1 ASP A 58 -1.209 -6.751 9.954 1.00 0.00 O ATOM 916 OD2 ASP A 58 -0.727 -8.110 8.256 1.00 0.00 O ATOM 0 H ASP A 58 0.536 -4.984 5.968 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.616 -4.942 7.695 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.771 -6.363 7.408 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.951 -5.603 8.977 1.00 0.00 H new ATOM 922 N PRO A 59 0.934 -2.957 8.557 1.00 0.00 N ATOM 923 CA PRO A 59 1.327 -1.843 9.404 1.00 0.00 C ATOM 924 C PRO A 59 0.613 -0.557 8.984 1.00 0.00 C ATOM 925 O PRO A 59 -0.083 0.061 9.788 1.00 0.00 O ATOM 926 CB PRO A 59 2.838 -1.757 9.264 1.00 0.00 C ATOM 927 CG PRO A 59 3.183 -2.518 7.993 1.00 0.00 C ATOM 928 CD PRO A 59 1.963 -3.330 7.591 1.00 0.00 C ATOM 0 HA PRO A 59 1.045 -1.987 10.447 1.00 0.00 H new ATOM 0 HB2 PRO A 59 3.166 -0.719 9.199 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.336 -2.195 10.129 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.461 -1.827 7.197 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.039 -3.172 8.160 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.652 -3.099 6.572 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.170 -4.400 7.626 1.00 0.00 H new ATOM 936 N ILE A 60 0.810 -0.193 7.725 1.00 0.00 N ATOM 937 CA ILE A 60 0.192 1.009 7.190 1.00 0.00 C ATOM 938 C ILE A 60 -1.279 1.051 7.607 1.00 0.00 C ATOM 939 O ILE A 60 -1.735 2.034 8.188 1.00 0.00 O ATOM 940 CB ILE A 60 0.405 1.090 5.677 1.00 0.00 C ATOM 941 CG1 ILE A 60 1.843 1.496 5.346 1.00 0.00 C ATOM 942 CG2 ILE A 60 -0.618 2.027 5.029 1.00 0.00 C ATOM 943 CD1 ILE A 60 2.039 1.643 3.837 1.00 0.00 C ATOM 0 H ILE A 60 1.388 -0.708 7.061 1.00 0.00 H new ATOM 0 HA ILE A 60 0.666 1.899 7.605 1.00 0.00 H new ATOM 0 HB ILE A 60 0.246 0.097 5.256 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.081 2.438 5.840 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.534 0.748 5.735 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.445 2.067 3.954 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.625 1.655 5.221 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.514 3.027 5.451 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.069 1.932 3.630 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.824 0.693 3.348 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.364 2.409 3.455 1.00 0.00 H new ATOM 955 N ILE A 61 -1.981 -0.029 7.294 1.00 0.00 N ATOM 956 CA ILE A 61 -3.392 -0.127 7.628 1.00 0.00 C ATOM 957 C ILE A 61 -3.556 -0.056 9.148 1.00 0.00 C ATOM 958 O ILE A 61 -4.620 0.313 9.644 1.00 0.00 O ATOM 959 CB ILE A 61 -4.005 -1.380 7.002 1.00 0.00 C ATOM 960 CG1 ILE A 61 -3.804 -1.390 5.484 1.00 0.00 C ATOM 961 CG2 ILE A 61 -5.480 -1.520 7.384 1.00 0.00 C ATOM 962 CD1 ILE A 61 -4.645 -2.484 4.826 1.00 0.00 C ATOM 0 H ILE A 61 -1.599 -0.843 6.813 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.943 0.714 7.206 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.484 -2.250 7.403 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.077 -0.419 5.071 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.750 -1.549 5.254 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.891 -2.419 6.925 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.570 -1.592 8.468 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.031 -0.648 7.031 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.483 -2.469 3.748 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.353 -3.456 5.223 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.700 -2.308 5.037 1.00 0.00 H new ATOM 974 N HIS A 62 -2.489 -0.416 9.845 1.00 0.00 N ATOM 975 CA HIS A 62 -2.501 -0.398 11.298 1.00 0.00 C ATOM 976 C HIS A 62 -2.676 1.041 11.791 1.00 0.00 C ATOM 977 O HIS A 62 -3.490 1.303 12.674 1.00 0.00 O ATOM 978 CB HIS A 62 -1.248 -1.070 11.860 1.00 0.00 C ATOM 979 CG HIS A 62 -0.207 -0.102 12.368 1.00 0.00 C ATOM 980 ND1 HIS A 62 -0.440 0.768 13.418 1.00 0.00 N ATOM 981 CD2 HIS A 62 1.075 0.124 11.959 1.00 0.00 C ATOM 982 CE1 HIS A 62 0.657 1.482 13.623 1.00 0.00 C ATOM 983 NE2 HIS A 62 1.595 1.081 12.718 1.00 0.00 N ATOM 0 H HIS A 62 -1.609 -0.722 9.430 1.00 0.00 H new ATOM 0 HA HIS A 62 -3.348 -0.977 11.666 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.539 -1.735 12.673 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.803 -1.692 11.084 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -1.310 0.847 13.945 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.581 -0.389 11.154 1.00 0.00 H new ATOM 0 HE1 HIS A 62 0.786 2.247 14.374 1.00 0.00 H new ATOM 992 N GLU A 63 -1.896 1.933 11.199 1.00 0.00 N ATOM 993 CA GLU A 63 -1.954 3.338 11.568 1.00 0.00 C ATOM 994 C GLU A 63 -3.355 3.897 11.311 1.00 0.00 C ATOM 995 O GLU A 63 -3.963 4.490 12.200 1.00 0.00 O ATOM 996 CB GLU A 63 -0.895 4.146 10.815 1.00 0.00 C ATOM 997 CG GLU A 63 -0.101 5.036 11.774 1.00 0.00 C ATOM 998 CD GLU A 63 0.513 4.211 12.907 1.00 0.00 C ATOM 999 OE1 GLU A 63 1.573 3.601 12.652 1.00 0.00 O ATOM 1000 OE2 GLU A 63 -0.090 4.212 14.001 1.00 0.00 O ATOM 0 H GLU A 63 -1.221 1.711 10.467 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.740 3.423 12.633 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.217 3.469 10.296 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.375 4.762 10.054 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.688 5.553 11.227 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.755 5.802 12.190 1.00 0.00 H new ATOM 1008 N LEU A 64 -3.826 3.687 10.090 1.00 0.00 N ATOM 1009 CA LEU A 64 -5.144 4.164 9.706 1.00 0.00 C ATOM 1010 C LEU A 64 -6.191 3.572 10.651 1.00 0.00 C ATOM 1011 O LEU A 64 -7.174 4.231 10.986 1.00 0.00 O ATOM 1012 CB LEU A 64 -5.411 3.866 8.228 1.00 0.00 C ATOM 1013 CG LEU A 64 -4.466 4.535 7.229 1.00 0.00 C ATOM 1014 CD1 LEU A 64 -4.238 3.641 6.007 1.00 0.00 C ATOM 1015 CD2 LEU A 64 -4.977 5.923 6.835 1.00 0.00 C ATOM 0 H LEU A 64 -3.319 3.194 9.355 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.201 5.248 9.805 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.360 2.787 8.080 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.431 4.172 7.994 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.499 4.673 7.713 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.563 4.140 5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.798 2.696 6.325 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.191 3.450 5.513 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.287 6.377 6.124 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.962 5.832 6.377 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.047 6.551 7.723 1.00 0.00 H new ATOM 1027 N GLU A 65 -5.946 2.334 11.054 1.00 0.00 N ATOM 1028 CA GLU A 65 -6.855 1.646 11.954 1.00 0.00 C ATOM 1029 C GLU A 65 -6.891 2.349 13.312 1.00 0.00 C ATOM 1030 O GLU A 65 -7.875 2.245 14.044 1.00 0.00 O ATOM 1031 CB GLU A 65 -6.465 0.174 12.108 1.00 0.00 C ATOM 1032 CG GLU A 65 -7.298 -0.714 11.181 1.00 0.00 C ATOM 1033 CD GLU A 65 -7.338 -2.156 11.693 1.00 0.00 C ATOM 1034 OE1 GLU A 65 -6.261 -2.790 11.688 1.00 0.00 O ATOM 1035 OE2 GLU A 65 -8.445 -2.590 12.077 1.00 0.00 O ATOM 0 H GLU A 65 -5.130 1.789 10.773 1.00 0.00 H new ATOM 0 HA GLU A 65 -7.856 1.679 11.523 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.406 0.049 11.882 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.609 -0.138 13.142 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.312 -0.321 11.110 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.877 -0.693 10.176 1.00 0.00 H new ATOM 1043 N GLY A 66 -5.806 3.048 13.610 1.00 0.00 N ATOM 1044 CA GLY A 66 -5.700 3.768 14.867 1.00 0.00 C ATOM 1045 C GLY A 66 -6.346 5.152 14.763 1.00 0.00 C ATOM 1046 O GLY A 66 -6.760 5.725 15.770 1.00 0.00 O ATOM 0 H GLY A 66 -4.992 3.131 13.002 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.183 3.196 15.660 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.651 3.872 15.143 1.00 0.00 H new ATOM 1050 N GLY A 67 -6.413 5.648 13.537 1.00 0.00 N ATOM 1051 CA GLY A 67 -7.001 6.953 13.288 1.00 0.00 C ATOM 1052 C GLY A 67 -6.028 7.857 12.530 1.00 0.00 C ATOM 1053 O GLY A 67 -6.331 9.020 12.266 1.00 0.00 O ATOM 0 H GLY A 67 -6.070 5.169 12.704 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.920 6.838 12.713 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.274 7.419 14.235 1.00 0.00 H new ATOM 1057 N THR A 68 -4.877 7.290 12.200 1.00 0.00 N ATOM 1058 CA THR A 68 -3.856 8.031 11.477 1.00 0.00 C ATOM 1059 C THR A 68 -4.299 8.277 10.033 1.00 0.00 C ATOM 1060 O THR A 68 -4.905 7.408 9.409 1.00 0.00 O ATOM 1061 CB THR A 68 -2.542 7.255 11.585 1.00 0.00 C ATOM 1062 OG1 THR A 68 -2.033 7.612 12.867 1.00 0.00 O ATOM 1063 CG2 THR A 68 -1.481 7.762 10.607 1.00 0.00 C ATOM 0 H THR A 68 -4.628 6.326 12.420 1.00 0.00 H new ATOM 0 HA THR A 68 -3.703 9.019 11.911 1.00 0.00 H new ATOM 0 HB THR A 68 -2.729 6.197 11.401 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.080 7.829 12.792 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.569 7.178 10.725 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.848 7.659 9.586 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.269 8.811 10.812 1.00 0.00 H new ATOM 1071 N ALA A 69 -3.979 9.467 9.545 1.00 0.00 N ATOM 1072 CA ALA A 69 -4.337 9.839 8.187 1.00 0.00 C ATOM 1073 C ALA A 69 -3.521 9.000 7.201 1.00 0.00 C ATOM 1074 O ALA A 69 -2.517 8.397 7.577 1.00 0.00 O ATOM 1075 CB ALA A 69 -4.117 11.341 7.994 1.00 0.00 C ATOM 0 H ALA A 69 -3.476 10.185 10.066 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.391 9.637 7.999 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.386 11.620 6.975 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.740 11.893 8.698 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.069 11.581 8.172 1.00 0.00 H new ATOM 1081 N PRO A 70 -3.996 8.986 5.927 1.00 0.00 N ATOM 1082 CA PRO A 70 -3.323 8.231 4.885 1.00 0.00 C ATOM 1083 C PRO A 70 -2.042 8.936 4.436 1.00 0.00 C ATOM 1084 O PRO A 70 -1.150 8.309 3.868 1.00 0.00 O ATOM 1085 CB PRO A 70 -4.349 8.096 3.771 1.00 0.00 C ATOM 1086 CG PRO A 70 -5.391 9.171 4.032 1.00 0.00 C ATOM 1087 CD PRO A 70 -5.183 9.688 5.446 1.00 0.00 C ATOM 0 HA PRO A 70 -2.992 7.250 5.225 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.885 8.231 2.794 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -4.801 7.104 3.775 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.292 9.982 3.311 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -6.396 8.764 3.918 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.035 10.768 5.455 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.048 9.480 6.075 1.00 0.00 H new ATOM 1095 N LYS A 71 -1.993 10.232 4.708 1.00 0.00 N ATOM 1096 CA LYS A 71 -0.835 11.031 4.340 1.00 0.00 C ATOM 1097 C LYS A 71 0.100 11.152 5.545 1.00 0.00 C ATOM 1098 O LYS A 71 1.118 11.838 5.477 1.00 0.00 O ATOM 1099 CB LYS A 71 -1.276 12.378 3.765 1.00 0.00 C ATOM 1100 CG LYS A 71 -1.666 12.244 2.291 1.00 0.00 C ATOM 1101 CD LYS A 71 -2.826 13.180 1.943 1.00 0.00 C ATOM 1102 CE LYS A 71 -4.161 12.590 2.402 1.00 0.00 C ATOM 1103 NZ LYS A 71 -5.224 13.619 2.356 1.00 0.00 N ATOM 0 H LYS A 71 -2.736 10.749 5.179 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.270 10.541 3.547 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.122 12.761 4.335 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.468 13.103 3.867 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.807 12.475 1.661 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.949 11.213 2.078 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.671 14.150 2.416 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.850 13.351 0.867 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.433 11.749 1.764 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.065 12.203 3.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.124 13.203 2.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.970 14.409 2.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.326 13.969 1.382 1.00 0.00 H new ATOM 1117 N ASP A 72 -0.281 10.476 6.619 1.00 0.00 N ATOM 1118 CA ASP A 72 0.511 10.500 7.837 1.00 0.00 C ATOM 1119 C ASP A 72 1.239 9.163 7.993 1.00 0.00 C ATOM 1120 O ASP A 72 2.342 9.113 8.535 1.00 0.00 O ATOM 1121 CB ASP A 72 -0.377 10.701 9.068 1.00 0.00 C ATOM 1122 CG ASP A 72 0.270 11.485 10.211 1.00 0.00 C ATOM 1123 OD1 ASP A 72 1.518 11.566 10.208 1.00 0.00 O ATOM 1124 OD2 ASP A 72 -0.497 11.985 11.062 1.00 0.00 O ATOM 0 H ASP A 72 -1.127 9.909 6.671 1.00 0.00 H new ATOM 0 HA ASP A 72 1.218 11.326 7.763 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.286 11.219 8.761 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.679 9.723 9.443 1.00 0.00 H new ATOM 1130 N VAL A 73 0.593 8.114 7.509 1.00 0.00 N ATOM 1131 CA VAL A 73 1.165 6.780 7.587 1.00 0.00 C ATOM 1132 C VAL A 73 2.456 6.735 6.766 1.00 0.00 C ATOM 1133 O VAL A 73 3.453 6.162 7.201 1.00 0.00 O ATOM 1134 CB VAL A 73 0.135 5.742 7.140 1.00 0.00 C ATOM 1135 CG1 VAL A 73 0.554 4.334 7.570 1.00 0.00 C ATOM 1136 CG2 VAL A 73 -1.258 6.085 7.672 1.00 0.00 C ATOM 0 H VAL A 73 -0.322 8.160 7.061 1.00 0.00 H new ATOM 0 HA VAL A 73 1.426 6.536 8.617 1.00 0.00 H new ATOM 0 HB VAL A 73 0.091 5.762 6.051 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.195 3.615 7.240 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.516 4.088 7.121 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.640 4.296 8.656 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.971 5.330 7.339 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.236 6.108 8.762 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.561 7.062 7.295 1.00 0.00 H new ATOM 1146 N CYS A 74 2.393 7.346 5.592 1.00 0.00 N ATOM 1147 CA CYS A 74 3.545 7.382 4.705 1.00 0.00 C ATOM 1148 C CYS A 74 4.482 8.495 5.180 1.00 0.00 C ATOM 1149 O CYS A 74 4.665 9.494 4.487 1.00 0.00 O ATOM 1150 CB CYS A 74 3.128 7.571 3.245 1.00 0.00 C ATOM 1151 SG CYS A 74 1.426 7.023 2.855 1.00 0.00 S ATOM 0 H CYS A 74 1.564 7.820 5.234 1.00 0.00 H new ATOM 0 HA CYS A 74 4.068 6.427 4.744 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.222 8.626 2.989 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.825 7.025 2.609 1.00 0.00 H new ATOM 1156 N THR A 75 5.049 8.284 6.358 1.00 0.00 N ATOM 1157 CA THR A 75 5.963 9.256 6.933 1.00 0.00 C ATOM 1158 C THR A 75 6.365 8.839 8.349 1.00 0.00 C ATOM 1159 O THR A 75 7.516 8.478 8.591 1.00 0.00 O ATOM 1160 CB THR A 75 5.291 10.630 6.874 1.00 0.00 C ATOM 1161 OG1 THR A 75 5.880 11.255 5.737 1.00 0.00 O ATOM 1162 CG2 THR A 75 5.691 11.530 8.044 1.00 0.00 C ATOM 0 H THR A 75 4.893 7.454 6.930 1.00 0.00 H new ATOM 0 HA THR A 75 6.893 9.307 6.366 1.00 0.00 H new ATOM 0 HB THR A 75 4.208 10.504 6.869 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.428 10.947 4.924 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.186 12.492 7.953 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.403 11.056 8.982 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.770 11.684 8.032 1.00 0.00 H new ATOM 1170 N LYS A 76 5.394 8.899 9.248 1.00 0.00 N ATOM 1171 CA LYS A 76 5.632 8.532 10.633 1.00 0.00 C ATOM 1172 C LYS A 76 6.101 7.077 10.697 1.00 0.00 C ATOM 1173 O LYS A 76 6.945 6.728 11.521 1.00 0.00 O ATOM 1174 CB LYS A 76 4.392 8.816 11.484 1.00 0.00 C ATOM 1175 CG LYS A 76 4.572 8.288 12.908 1.00 0.00 C ATOM 1176 CD LYS A 76 3.399 7.394 13.314 1.00 0.00 C ATOM 1177 CE LYS A 76 3.751 6.549 14.540 1.00 0.00 C ATOM 1178 NZ LYS A 76 3.543 7.325 15.782 1.00 0.00 N ATOM 0 H LYS A 76 4.440 9.197 9.044 1.00 0.00 H new ATOM 0 HA LYS A 76 6.428 9.144 11.057 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.203 9.889 11.511 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.519 8.350 11.027 1.00 0.00 H new ATOM 0 HG2 LYS A 76 5.503 7.725 12.976 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.654 9.124 13.602 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.526 8.010 13.531 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.130 6.741 12.483 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.135 5.650 14.558 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.789 6.222 14.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.787 6.736 16.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.149 8.170 15.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.546 7.615 15.847 1.00 0.00 H new ATOM 1192 N LEU A 77 5.533 6.266 9.815 1.00 0.00 N ATOM 1193 CA LEU A 77 5.882 4.857 9.761 1.00 0.00 C ATOM 1194 C LEU A 77 7.302 4.709 9.212 1.00 0.00 C ATOM 1195 O LEU A 77 7.850 3.608 9.189 1.00 0.00 O ATOM 1196 CB LEU A 77 4.832 4.076 8.968 1.00 0.00 C ATOM 1197 CG LEU A 77 3.530 3.762 9.708 1.00 0.00 C ATOM 1198 CD1 LEU A 77 3.806 3.005 11.009 1.00 0.00 C ATOM 1199 CD2 LEU A 77 2.715 5.036 9.948 1.00 0.00 C ATOM 0 H LEU A 77 4.834 6.559 9.133 1.00 0.00 H new ATOM 0 HA LEU A 77 5.880 4.425 10.762 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.588 4.643 8.069 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.277 3.136 8.641 1.00 0.00 H new ATOM 0 HG LEU A 77 2.928 3.108 9.077 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.864 2.795 11.515 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.314 2.067 10.784 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.437 3.613 11.657 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.795 4.785 10.475 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.299 5.734 10.548 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.471 5.497 8.991 1.00 0.00 H new ATOM 1211 N ASN A 78 7.858 5.833 8.785 1.00 0.00 N ATOM 1212 CA ASN A 78 9.203 5.842 8.238 1.00 0.00 C ATOM 1213 C ASN A 78 9.207 5.122 6.888 1.00 0.00 C ATOM 1214 O ASN A 78 10.214 4.534 6.497 1.00 0.00 O ATOM 1215 CB ASN A 78 10.180 5.114 9.164 1.00 0.00 C ATOM 1216 CG ASN A 78 11.503 5.873 9.273 1.00 0.00 C ATOM 1217 OD1 ASN A 78 11.712 6.684 10.160 1.00 0.00 O ATOM 1218 ND2 ASN A 78 12.383 5.564 8.325 1.00 0.00 N ATOM 0 H ASN A 78 7.401 6.744 8.807 1.00 0.00 H new ATOM 0 HA ASN A 78 9.514 6.881 8.130 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.736 5.006 10.154 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.364 4.108 8.786 1.00 0.00 H new ATOM 0 HD21 ASN A 78 13.298 6.015 8.311 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.143 4.876 7.612 1.00 0.00 H new ATOM 1225 N GLU A 79 8.068 5.191 6.215 1.00 0.00 N ATOM 1226 CA GLU A 79 7.926 4.553 4.918 1.00 0.00 C ATOM 1227 C GLU A 79 8.231 5.551 3.799 1.00 0.00 C ATOM 1228 O GLU A 79 9.366 5.635 3.330 1.00 0.00 O ATOM 1229 CB GLU A 79 6.527 3.954 4.750 1.00 0.00 C ATOM 1230 CG GLU A 79 5.597 4.413 5.875 1.00 0.00 C ATOM 1231 CD GLU A 79 4.262 3.667 5.820 1.00 0.00 C ATOM 1232 OE1 GLU A 79 4.301 2.425 5.942 1.00 0.00 O ATOM 1233 OE2 GLU A 79 3.233 4.358 5.657 1.00 0.00 O ATOM 0 H GLU A 79 7.235 5.679 6.544 1.00 0.00 H new ATOM 0 HA GLU A 79 8.645 3.736 4.857 1.00 0.00 H new ATOM 0 HB2 GLU A 79 6.113 4.252 3.787 1.00 0.00 H new ATOM 0 HB3 GLU A 79 6.591 2.866 4.747 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.075 4.241 6.840 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.422 5.486 5.793 1.00 0.00 H new ATOM 1241 N CYS A 80 7.200 6.283 3.404 1.00 0.00 N ATOM 1242 CA CYS A 80 7.344 7.271 2.349 1.00 0.00 C ATOM 1243 C CYS A 80 8.328 8.342 2.825 1.00 0.00 C ATOM 1244 O CYS A 80 8.295 8.750 3.985 1.00 0.00 O ATOM 1245 CB CYS A 80 5.996 7.874 1.949 1.00 0.00 C ATOM 1246 SG CYS A 80 6.103 9.381 0.917 1.00 0.00 S ATOM 0 H CYS A 80 6.261 6.211 3.796 1.00 0.00 H new ATOM 0 HA CYS A 80 7.734 6.792 1.451 1.00 0.00 H new ATOM 0 HB2 CYS A 80 5.423 7.121 1.408 1.00 0.00 H new ATOM 0 HB3 CYS A 80 5.437 8.110 2.854 1.00 0.00 H new ATOM 1251 N PRO A 81 9.205 8.779 1.881 1.00 0.00 N ATOM 1252 CA PRO A 81 10.197 9.793 2.193 1.00 0.00 C ATOM 1253 C PRO A 81 9.554 11.178 2.284 1.00 0.00 C ATOM 1254 O PRO A 81 9.673 11.855 3.304 1.00 0.00 O ATOM 1255 CB PRO A 81 11.227 9.690 1.081 1.00 0.00 C ATOM 1256 CG PRO A 81 10.543 8.947 -0.056 1.00 0.00 C ATOM 1257 CD PRO A 81 9.274 8.318 0.497 1.00 0.00 C ATOM 0 HA PRO A 81 10.664 9.640 3.166 1.00 0.00 H new ATOM 0 HB2 PRO A 81 11.555 10.679 0.760 1.00 0.00 H new ATOM 0 HB3 PRO A 81 12.114 9.155 1.419 1.00 0.00 H new ATOM 0 HG2 PRO A 81 10.307 9.631 -0.871 1.00 0.00 H new ATOM 0 HG3 PRO A 81 11.203 8.181 -0.463 1.00 0.00 H new ATOM 0 HD2 PRO A 81 8.397 8.632 -0.069 1.00 0.00 H new ATOM 0 HD3 PRO A 81 9.315 7.230 0.443 1.00 0.00 H new TER 1265 PRO A 81