USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 716 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 69 HIS : no HE2:sc= 0.304 K(o=0.079,f=-2) USER MOD Set 1.2: A 106 HIS : no HD1:sc= -0.225 K(o=0.079,f=-0.87) USER MOD Set 2.1: A 103 SER OG : rot 180:sc= -0.0482 USER MOD Set 2.2: A 104 LYS NZ :NH3+ 139:sc= -6.79! (180deg=-8.37!) USER MOD Set 2.3: A 105 CYS SG : rot 180:sc= -2.28! USER MOD Set 3.1: A 82 CYS SG : rot 180:sc= 0 USER MOD Set 3.2: A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 25 HIS : no HE2:sc= -0.421 K(o=-0.0037,f=-5.6!) USER MOD Set 4.2: A 83 HIS : no HE2:sc= 0.417 K(o=-0.0037,f=-4.4!) USER MOD Set 5.1: A 35 HIS :FLIP no HE2:sc= -4.08! C(o=-7!,f=-6.1!) USER MOD Set 5.2: A 52 HIS : no HE2:sc= 0.312 K(o=-6.1,f=-8.7) USER MOD Set 5.3: A 76 HIS :FLIP no HD1:sc= -2.35 F(o=-7.3,f=-6.1) USER MOD Set 6.1: A 22 HIS : no HE2:sc= -0.383 K(o=-0.38,f=-1.2) USER MOD Set 6.2: A 34 HIS : no HD1:sc= 0 X(o=-0.38,f=-0.38) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= -0.239 USER MOD Single : A 15 GLN : amide:sc= -0.14 X(o=-0.14,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0.107 USER MOD Single : A 32 THR OG1 : rot -150:sc= -1.1 USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 150:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 170:sc= -0.618 USER MOD Single : A 48 SER OG : rot -140:sc= -0.404 USER MOD Single : A 49 SER OG : rot 13:sc= 0.754! USER MOD Single : A 51 CYS SG : rot -18:sc= -0.709 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 117:sc= 0.0306 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc=-0.00479 USER MOD Single : A 78 SER OG : rot 138:sc= -4.45! USER MOD Single : A 79 CYS SG : rot 180:sc= 0.047 USER MOD Single : A 84 SER OG : rot -91:sc= 0.696 USER MOD Single : A 98 THR OG1 : rot 68:sc= 0.638 USER MOD Single : A 100 CYS SG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 25 N ALA A 3 3.907 10.019 -15.314 1.00 1.00 N ATOM 26 CA ALA A 3 2.630 9.581 -15.851 1.00 1.00 C ATOM 27 C ALA A 3 2.210 8.283 -15.161 1.00 1.00 C ATOM 28 O ALA A 3 2.952 7.302 -15.170 1.00 1.00 O ATOM 29 CB ALA A 3 2.742 9.425 -17.369 1.00 1.00 C ATOM 0 HA ALA A 3 1.856 10.323 -15.655 1.00 1.00 H new ATOM 0 HB1 ALA A 3 1.784 9.096 -17.773 1.00 1.00 H new ATOM 0 HB2 ALA A 3 3.014 10.382 -17.814 1.00 1.00 H new ATOM 0 HB3 ALA A 3 3.507 8.685 -17.603 1.00 1.00 H new ATOM 35 N VAL A 4 1.020 8.318 -14.578 1.00 1.00 N ATOM 36 CA VAL A 4 0.492 7.155 -13.884 1.00 1.00 C ATOM 37 C VAL A 4 0.472 5.961 -14.841 1.00 1.00 C ATOM 38 O VAL A 4 -0.108 6.002 -15.923 1.00 1.00 O ATOM 39 CB VAL A 4 -0.886 7.476 -13.300 1.00 1.00 C ATOM 40 CG1 VAL A 4 -1.924 7.651 -14.410 1.00 1.00 C ATOM 41 CG2 VAL A 4 -1.322 6.400 -12.304 1.00 1.00 C ATOM 0 H VAL A 4 0.407 9.133 -14.572 1.00 1.00 H new ATOM 0 HA VAL A 4 1.133 6.888 -13.044 1.00 1.00 H new ATOM 0 HB VAL A 4 -0.811 8.420 -12.761 1.00 1.00 H new ATOM 0 HG11 VAL A 4 -2.894 7.878 -13.968 1.00 1.00 H new ATOM 0 HG12 VAL A 4 -1.623 8.469 -15.064 1.00 1.00 H new ATOM 0 HG13 VAL A 4 -1.996 6.731 -14.989 1.00 1.00 H new ATOM 0 HG21 VAL A 4 -2.304 6.651 -11.903 1.00 1.00 H new ATOM 0 HG22 VAL A 4 -1.372 5.435 -12.809 1.00 1.00 H new ATOM 0 HG23 VAL A 4 -0.601 6.345 -11.489 1.00 1.00 H new ATOM 51 N PRO A 5 1.129 4.882 -14.409 1.00 1.00 N ATOM 52 CA PRO A 5 1.238 3.643 -15.149 1.00 1.00 C ATOM 53 C PRO A 5 -0.115 2.948 -15.182 1.00 1.00 C ATOM 54 O PRO A 5 -0.737 2.809 -14.130 1.00 1.00 O ATOM 55 CB PRO A 5 2.261 2.814 -14.376 1.00 1.00 C ATOM 56 CG PRO A 5 2.215 3.332 -13.001 1.00 1.00 C ATOM 57 CD PRO A 5 1.822 4.800 -13.141 1.00 1.00 C ATOM 0 HA PRO A 5 1.544 3.792 -16.184 1.00 1.00 H new ATOM 0 HB2 PRO A 5 2.012 1.753 -14.406 1.00 1.00 H new ATOM 0 HB3 PRO A 5 3.258 2.920 -14.804 1.00 1.00 H new ATOM 0 HG2 PRO A 5 1.490 2.786 -12.398 1.00 1.00 H new ATOM 0 HG3 PRO A 5 3.182 3.228 -12.508 1.00 1.00 H new ATOM 0 HD2 PRO A 5 1.180 5.117 -12.319 1.00 1.00 H new ATOM 0 HD3 PRO A 5 2.699 5.447 -13.128 1.00 1.00 H new ATOM 65 N ASP A 6 -0.540 2.531 -16.366 1.00 1.00 N ATOM 66 CA ASP A 6 -1.820 1.857 -16.507 1.00 1.00 C ATOM 67 C ASP A 6 -1.645 0.370 -16.193 1.00 1.00 C ATOM 68 O ASP A 6 -2.569 -0.420 -16.378 1.00 1.00 O ATOM 69 CB ASP A 6 -2.352 1.980 -17.936 1.00 1.00 C ATOM 70 CG ASP A 6 -1.693 1.047 -18.954 1.00 1.00 C ATOM 71 OD1 ASP A 6 -0.594 1.325 -19.456 1.00 1.00 O ATOM 72 OD2 ASP A 6 -2.364 -0.019 -19.231 1.00 1.00 O ATOM 0 H ASP A 6 -0.021 2.647 -17.236 1.00 1.00 H new ATOM 0 HA ASP A 6 -2.525 2.323 -15.819 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -3.424 1.784 -17.927 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -2.219 3.009 -18.270 1.00 1.00 H new ATOM 78 N LYS A 7 -0.452 0.033 -15.724 1.00 1.00 N ATOM 79 CA LYS A 7 -0.145 -1.345 -15.383 1.00 1.00 C ATOM 80 C LYS A 7 0.175 -1.438 -13.889 1.00 1.00 C ATOM 81 O LYS A 7 0.710 -0.515 -13.278 1.00 1.00 O ATOM 82 CB LYS A 7 0.968 -1.885 -16.284 1.00 1.00 C ATOM 83 CG LYS A 7 2.123 -0.886 -16.387 1.00 1.00 C ATOM 84 CD LYS A 7 2.112 -0.174 -17.741 1.00 1.00 C ATOM 85 CE LYS A 7 3.512 0.323 -18.109 1.00 1.00 C ATOM 86 NZ LYS A 7 3.985 -0.333 -19.349 1.00 1.00 N ATOM 0 H LYS A 7 0.313 0.691 -15.572 1.00 1.00 H new ATOM 0 HA LYS A 7 -1.010 -1.983 -15.565 1.00 1.00 H new ATOM 0 HB2 LYS A 7 1.335 -2.831 -15.887 1.00 1.00 H new ATOM 0 HB3 LYS A 7 0.569 -2.089 -17.278 1.00 1.00 H new ATOM 0 HG2 LYS A 7 2.046 -0.152 -15.585 1.00 1.00 H new ATOM 0 HG3 LYS A 7 3.072 -1.406 -16.253 1.00 1.00 H new ATOM 0 HD2 LYS A 7 1.749 -0.855 -18.511 1.00 1.00 H new ATOM 0 HD3 LYS A 7 1.420 0.668 -17.708 1.00 1.00 H new ATOM 0 HE2 LYS A 7 3.496 1.404 -18.246 1.00 1.00 H new ATOM 0 HE3 LYS A 7 4.204 0.115 -17.293 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 4.936 0.015 -19.585 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 4.019 -1.363 -19.206 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 3.333 -0.113 -20.129 1.00 1.00 H new ATOM 99 N PRO A 8 -0.169 -2.589 -13.308 1.00 1.00 N ATOM 100 CA PRO A 8 0.041 -2.892 -11.909 1.00 1.00 C ATOM 101 C PRO A 8 1.497 -3.276 -11.683 1.00 1.00 C ATOM 102 O PRO A 8 2.051 -4.010 -12.500 1.00 1.00 O ATOM 103 CB PRO A 8 -0.887 -4.070 -11.620 1.00 1.00 C ATOM 104 CG PRO A 8 -0.770 -4.850 -12.998 1.00 1.00 C ATOM 105 CD PRO A 8 -0.799 -3.695 -13.997 1.00 1.00 C ATOM 0 HA PRO A 8 -0.170 -2.046 -11.255 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -0.552 -4.667 -10.772 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -1.908 -3.754 -11.404 1.00 1.00 H new ATOM 0 HG2 PRO A 8 0.151 -5.429 -13.066 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -1.596 -5.545 -13.149 1.00 1.00 H new ATOM 0 HD2 PRO A 8 -0.261 -3.949 -14.910 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -1.821 -3.449 -14.287 1.00 1.00 H new ATOM 113 N VAL A 9 2.080 -2.781 -10.601 1.00 1.00 N ATOM 114 CA VAL A 9 3.467 -3.084 -10.294 1.00 1.00 C ATOM 115 C VAL A 9 3.521 -4.144 -9.192 1.00 1.00 C ATOM 116 O VAL A 9 2.838 -4.024 -8.177 1.00 1.00 O ATOM 117 CB VAL A 9 4.215 -1.801 -9.926 1.00 1.00 C ATOM 118 CG1 VAL A 9 4.689 -1.064 -11.180 1.00 1.00 C ATOM 119 CG2 VAL A 9 3.347 -0.893 -9.052 1.00 1.00 C ATOM 0 H VAL A 9 1.617 -2.172 -9.926 1.00 1.00 H new ATOM 0 HA VAL A 9 3.970 -3.497 -11.168 1.00 1.00 H new ATOM 0 HB VAL A 9 5.096 -2.080 -9.348 1.00 1.00 H new ATOM 0 HG11 VAL A 9 5.218 -0.156 -10.890 1.00 1.00 H new ATOM 0 HG12 VAL A 9 5.359 -1.708 -11.749 1.00 1.00 H new ATOM 0 HG13 VAL A 9 3.828 -0.802 -11.795 1.00 1.00 H new ATOM 0 HG21 VAL A 9 3.902 0.012 -8.804 1.00 1.00 H new ATOM 0 HG22 VAL A 9 2.440 -0.626 -9.594 1.00 1.00 H new ATOM 0 HG23 VAL A 9 3.080 -1.418 -8.135 1.00 1.00 H new ATOM 129 N GLU A 10 4.340 -5.158 -9.430 1.00 1.00 N ATOM 130 CA GLU A 10 4.492 -6.239 -8.471 1.00 1.00 C ATOM 131 C GLU A 10 5.234 -5.744 -7.227 1.00 1.00 C ATOM 132 O GLU A 10 6.144 -4.922 -7.329 1.00 1.00 O ATOM 133 CB GLU A 10 5.212 -7.433 -9.100 1.00 1.00 C ATOM 134 CG GLU A 10 6.729 -7.244 -9.057 1.00 1.00 C ATOM 135 CD GLU A 10 7.153 -6.024 -9.879 1.00 1.00 C ATOM 136 OE1 GLU A 10 7.514 -4.985 -9.306 1.00 1.00 O ATOM 137 OE2 GLU A 10 7.098 -6.182 -11.158 1.00 1.00 O ATOM 0 H GLU A 10 4.906 -5.254 -10.273 1.00 1.00 H new ATOM 0 HA GLU A 10 3.499 -6.574 -8.169 1.00 1.00 H new ATOM 0 HB2 GLU A 10 4.941 -8.346 -8.570 1.00 1.00 H new ATOM 0 HB3 GLU A 10 4.886 -7.555 -10.133 1.00 1.00 H new ATOM 0 HG2 GLU A 10 7.055 -7.122 -8.024 1.00 1.00 H new ATOM 0 HG3 GLU A 10 7.221 -8.136 -9.443 1.00 1.00 H new ATOM 145 N VAL A 11 4.818 -6.265 -6.083 1.00 1.00 N ATOM 146 CA VAL A 11 5.432 -5.887 -4.821 1.00 1.00 C ATOM 147 C VAL A 11 5.922 -7.144 -4.100 1.00 1.00 C ATOM 148 O VAL A 11 5.346 -7.551 -3.092 1.00 1.00 O ATOM 149 CB VAL A 11 4.449 -5.064 -3.987 1.00 1.00 C ATOM 150 CG1 VAL A 11 5.136 -4.472 -2.755 1.00 1.00 C ATOM 151 CG2 VAL A 11 3.796 -3.968 -4.831 1.00 1.00 C ATOM 0 H VAL A 11 4.063 -6.946 -6.003 1.00 1.00 H new ATOM 0 HA VAL A 11 6.301 -5.253 -4.994 1.00 1.00 H new ATOM 0 HB VAL A 11 3.661 -5.734 -3.641 1.00 1.00 H new ATOM 0 HG11 VAL A 11 4.415 -3.892 -2.180 1.00 1.00 H new ATOM 0 HG12 VAL A 11 5.530 -5.278 -2.136 1.00 1.00 H new ATOM 0 HG13 VAL A 11 5.954 -3.824 -3.071 1.00 1.00 H new ATOM 0 HG21 VAL A 11 3.102 -3.398 -4.213 1.00 1.00 H new ATOM 0 HG22 VAL A 11 4.566 -3.302 -5.221 1.00 1.00 H new ATOM 0 HG23 VAL A 11 3.255 -4.422 -5.661 1.00 1.00 H new ATOM 161 N LYS A 12 6.981 -7.725 -4.645 1.00 1.00 N ATOM 162 CA LYS A 12 7.556 -8.928 -4.066 1.00 1.00 C ATOM 163 C LYS A 12 7.965 -8.647 -2.619 1.00 1.00 C ATOM 164 O LYS A 12 9.062 -8.150 -2.366 1.00 1.00 O ATOM 165 CB LYS A 12 8.699 -9.449 -4.938 1.00 1.00 C ATOM 166 CG LYS A 12 9.678 -8.326 -5.288 1.00 1.00 C ATOM 167 CD LYS A 12 9.462 -7.837 -6.721 1.00 1.00 C ATOM 168 CE LYS A 12 10.796 -7.671 -7.451 1.00 1.00 C ATOM 169 NZ LYS A 12 10.935 -6.292 -7.970 1.00 1.00 N ATOM 0 H LYS A 12 7.456 -7.385 -5.481 1.00 1.00 H new ATOM 0 HA LYS A 12 6.817 -9.729 -4.039 1.00 1.00 H new ATOM 0 HB2 LYS A 12 9.227 -10.246 -4.414 1.00 1.00 H new ATOM 0 HB3 LYS A 12 8.295 -9.882 -5.853 1.00 1.00 H new ATOM 0 HG2 LYS A 12 9.548 -7.496 -4.593 1.00 1.00 H new ATOM 0 HG3 LYS A 12 10.702 -8.682 -5.172 1.00 1.00 H new ATOM 0 HD2 LYS A 12 8.834 -8.546 -7.260 1.00 1.00 H new ATOM 0 HD3 LYS A 12 8.930 -6.886 -6.708 1.00 1.00 H new ATOM 0 HE2 LYS A 12 11.619 -7.895 -6.772 1.00 1.00 H new ATOM 0 HE3 LYS A 12 10.858 -8.383 -8.274 1.00 1.00 H new ATOM 0 HZ1 LYS A 12 11.846 -6.197 -8.463 1.00 1.00 H new ATOM 0 HZ2 LYS A 12 10.160 -6.091 -8.634 1.00 1.00 H new ATOM 0 HZ3 LYS A 12 10.897 -5.618 -7.179 1.00 1.00 H new ATOM 182 N GLY A 13 7.062 -8.976 -1.707 1.00 1.00 N ATOM 183 CA GLY A 13 7.316 -8.765 -0.292 1.00 1.00 C ATOM 184 C GLY A 13 8.323 -9.785 0.242 1.00 1.00 C ATOM 185 O GLY A 13 9.192 -10.250 -0.494 1.00 1.00 O ATOM 0 H GLY A 13 6.153 -9.387 -1.920 1.00 1.00 H new ATOM 0 HA2 GLY A 13 7.696 -7.756 -0.134 1.00 1.00 H new ATOM 0 HA3 GLY A 13 6.382 -8.845 0.265 1.00 1.00 H new ATOM 189 N SER A 14 8.174 -10.104 1.520 1.00 1.00 N ATOM 190 CA SER A 14 9.059 -11.061 2.161 1.00 1.00 C ATOM 191 C SER A 14 8.966 -12.415 1.456 1.00 1.00 C ATOM 192 O SER A 14 9.951 -12.900 0.901 1.00 1.00 O ATOM 193 CB SER A 14 8.724 -11.212 3.646 1.00 1.00 C ATOM 194 OG SER A 14 8.637 -12.579 4.038 1.00 1.00 O ATOM 0 H SER A 14 7.453 -9.716 2.128 1.00 1.00 H new ATOM 0 HA SER A 14 10.080 -10.688 2.082 1.00 1.00 H new ATOM 0 HB2 SER A 14 9.487 -10.712 4.242 1.00 1.00 H new ATOM 0 HB3 SER A 14 7.778 -10.714 3.857 1.00 1.00 H new ATOM 0 HG SER A 14 8.423 -12.633 4.993 1.00 1.00 H new ATOM 200 N GLN A 15 7.772 -12.988 1.500 1.00 1.00 N ATOM 201 CA GLN A 15 7.538 -14.277 0.872 1.00 1.00 C ATOM 202 C GLN A 15 6.114 -14.345 0.314 1.00 1.00 C ATOM 203 O GLN A 15 5.409 -15.331 0.520 1.00 1.00 O ATOM 204 CB GLN A 15 7.796 -15.421 1.854 1.00 1.00 C ATOM 205 CG GLN A 15 8.794 -16.426 1.275 1.00 1.00 C ATOM 206 CD GLN A 15 9.226 -17.443 2.334 1.00 1.00 C ATOM 207 OE1 GLN A 15 10.400 -17.653 2.588 1.00 1.00 O ATOM 208 NE2 GLN A 15 8.213 -18.060 2.936 1.00 1.00 N ATOM 0 H GLN A 15 6.957 -12.583 1.961 1.00 1.00 H new ATOM 0 HA GLN A 15 8.238 -14.388 0.044 1.00 1.00 H new ATOM 0 HB2 GLN A 15 8.181 -15.020 2.792 1.00 1.00 H new ATOM 0 HB3 GLN A 15 6.858 -15.926 2.084 1.00 1.00 H new ATOM 0 HG2 GLN A 15 8.343 -16.946 0.429 1.00 1.00 H new ATOM 0 HG3 GLN A 15 9.668 -15.898 0.895 1.00 1.00 H new ATOM 0 HE21 GLN A 15 7.252 -17.837 2.675 1.00 1.00 H new ATOM 0 HE22 GLN A 15 8.397 -18.756 3.658 1.00 1.00 H new ATOM 217 N LYS A 16 5.734 -13.283 -0.381 1.00 1.00 N ATOM 218 CA LYS A 16 4.408 -13.209 -0.970 1.00 1.00 C ATOM 219 C LYS A 16 4.389 -12.114 -2.038 1.00 1.00 C ATOM 220 O LYS A 16 4.747 -10.969 -1.765 1.00 1.00 O ATOM 221 CB LYS A 16 3.348 -13.025 0.118 1.00 1.00 C ATOM 222 CG LYS A 16 2.536 -14.307 0.314 1.00 1.00 C ATOM 223 CD LYS A 16 1.409 -14.092 1.327 1.00 1.00 C ATOM 224 CE LYS A 16 1.424 -15.179 2.403 1.00 1.00 C ATOM 225 NZ LYS A 16 1.783 -14.603 3.718 1.00 1.00 N ATOM 0 H LYS A 16 6.322 -12.466 -0.549 1.00 1.00 H new ATOM 0 HA LYS A 16 4.160 -14.146 -1.469 1.00 1.00 H new ATOM 0 HB2 LYS A 16 3.829 -12.748 1.056 1.00 1.00 H new ATOM 0 HB3 LYS A 16 2.682 -12.206 -0.153 1.00 1.00 H new ATOM 0 HG2 LYS A 16 2.116 -14.626 -0.640 1.00 1.00 H new ATOM 0 HG3 LYS A 16 3.191 -15.108 0.657 1.00 1.00 H new ATOM 0 HD2 LYS A 16 1.516 -13.113 1.793 1.00 1.00 H new ATOM 0 HD3 LYS A 16 0.448 -14.097 0.813 1.00 1.00 H new ATOM 0 HE2 LYS A 16 0.444 -15.653 2.463 1.00 1.00 H new ATOM 0 HE3 LYS A 16 2.139 -15.956 2.133 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 1.788 -15.355 4.437 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 2.727 -14.171 3.662 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 1.086 -13.878 3.981 1.00 1.00 H new ATOM 238 N THR A 17 3.968 -12.503 -3.233 1.00 1.00 N ATOM 239 CA THR A 17 3.898 -11.569 -4.343 1.00 1.00 C ATOM 240 C THR A 17 2.498 -10.959 -4.439 1.00 1.00 C ATOM 241 O THR A 17 1.515 -11.676 -4.614 1.00 1.00 O ATOM 242 CB THR A 17 4.326 -12.309 -5.612 1.00 1.00 C ATOM 243 OG1 THR A 17 5.576 -12.900 -5.264 1.00 1.00 O ATOM 244 CG2 THR A 17 4.670 -11.356 -6.758 1.00 1.00 C ATOM 0 H THR A 17 3.672 -13.453 -3.456 1.00 1.00 H new ATOM 0 HA THR A 17 4.576 -10.728 -4.195 1.00 1.00 H new ATOM 0 HB THR A 17 3.528 -12.981 -5.927 1.00 1.00 H new ATOM 0 HG1 THR A 17 5.925 -13.402 -6.030 1.00 1.00 H new ATOM 0 HG21 THR A 17 4.967 -11.933 -7.634 1.00 1.00 H new ATOM 0 HG22 THR A 17 3.797 -10.750 -7.002 1.00 1.00 H new ATOM 0 HG23 THR A 17 5.491 -10.705 -6.456 1.00 1.00 H new ATOM 252 N VAL A 18 2.453 -9.640 -4.319 1.00 1.00 N ATOM 253 CA VAL A 18 1.190 -8.925 -4.390 1.00 1.00 C ATOM 254 C VAL A 18 1.313 -7.781 -5.398 1.00 1.00 C ATOM 255 O VAL A 18 2.218 -6.954 -5.297 1.00 1.00 O ATOM 256 CB VAL A 18 0.778 -8.451 -2.994 1.00 1.00 C ATOM 257 CG1 VAL A 18 -0.580 -7.748 -3.033 1.00 1.00 C ATOM 258 CG2 VAL A 18 0.766 -9.615 -2.001 1.00 1.00 C ATOM 0 H VAL A 18 3.271 -9.048 -4.173 1.00 1.00 H new ATOM 0 HA VAL A 18 0.397 -9.584 -4.742 1.00 1.00 H new ATOM 0 HB VAL A 18 1.519 -7.728 -2.653 1.00 1.00 H new ATOM 0 HG11 VAL A 18 -0.849 -7.421 -2.029 1.00 1.00 H new ATOM 0 HG12 VAL A 18 -0.523 -6.883 -3.693 1.00 1.00 H new ATOM 0 HG13 VAL A 18 -1.337 -8.439 -3.405 1.00 1.00 H new ATOM 0 HG21 VAL A 18 0.470 -9.251 -1.017 1.00 1.00 H new ATOM 0 HG22 VAL A 18 0.057 -10.372 -2.336 1.00 1.00 H new ATOM 0 HG23 VAL A 18 1.763 -10.053 -1.941 1.00 1.00 H new ATOM 268 N MET A 19 0.389 -7.770 -6.348 1.00 1.00 N ATOM 269 CA MET A 19 0.382 -6.741 -7.373 1.00 1.00 C ATOM 270 C MET A 19 -0.643 -5.652 -7.050 1.00 1.00 C ATOM 271 O MET A 19 -1.762 -5.951 -6.638 1.00 1.00 O ATOM 272 CB MET A 19 0.049 -7.371 -8.727 1.00 1.00 C ATOM 273 CG MET A 19 -1.227 -8.211 -8.641 1.00 1.00 C ATOM 274 SD MET A 19 -1.849 -8.546 -10.280 1.00 1.00 S ATOM 275 CE MET A 19 -3.602 -8.394 -9.983 1.00 1.00 C ATOM 0 H MET A 19 -0.360 -8.458 -6.429 1.00 1.00 H new ATOM 0 HA MET A 19 1.371 -6.284 -7.409 1.00 1.00 H new ATOM 0 HB2 MET A 19 -0.076 -6.589 -9.475 1.00 1.00 H new ATOM 0 HB3 MET A 19 0.879 -7.996 -9.055 1.00 1.00 H new ATOM 0 HG2 MET A 19 -1.021 -9.148 -8.123 1.00 1.00 H new ATOM 0 HG3 MET A 19 -1.981 -7.683 -8.058 1.00 1.00 H new ATOM 0 HE1 MET A 19 -4.145 -8.574 -10.911 1.00 1.00 H new ATOM 0 HE2 MET A 19 -3.909 -9.125 -9.235 1.00 1.00 H new ATOM 0 HE3 MET A 19 -3.824 -7.390 -9.622 1.00 1.00 H new ATOM 285 N PHE A 20 -0.223 -4.411 -7.251 1.00 1.00 N ATOM 286 CA PHE A 20 -1.091 -3.276 -6.986 1.00 1.00 C ATOM 287 C PHE A 20 -1.371 -2.490 -8.268 1.00 1.00 C ATOM 288 O PHE A 20 -0.468 -2.015 -8.953 1.00 1.00 O ATOM 289 CB PHE A 20 -0.353 -2.370 -5.997 1.00 1.00 C ATOM 290 CG PHE A 20 -0.910 -0.947 -5.922 1.00 1.00 C ATOM 291 CD1 PHE A 20 -1.966 -0.672 -5.110 1.00 1.00 C ATOM 292 CD2 PHE A 20 -0.351 0.043 -6.668 1.00 1.00 C ATOM 293 CE1 PHE A 20 -2.483 0.649 -5.040 1.00 1.00 C ATOM 294 CE2 PHE A 20 -0.868 1.363 -6.599 1.00 1.00 C ATOM 295 CZ PHE A 20 -1.923 1.638 -5.786 1.00 1.00 C ATOM 0 H PHE A 20 0.706 -4.167 -7.594 1.00 1.00 H new ATOM 0 HA PHE A 20 -2.045 -3.622 -6.588 1.00 1.00 H new ATOM 0 HB2 PHE A 20 -0.398 -2.820 -5.005 1.00 1.00 H new ATOM 0 HB3 PHE A 20 0.699 -2.323 -6.278 1.00 1.00 H new ATOM 0 HD1 PHE A 20 -2.411 -1.458 -4.518 1.00 1.00 H new ATOM 0 HD2 PHE A 20 0.487 -0.175 -7.313 1.00 1.00 H new ATOM 0 HE1 PHE A 20 -3.321 0.868 -4.394 1.00 1.00 H new ATOM 0 HE2 PHE A 20 -0.424 2.149 -7.192 1.00 1.00 H new ATOM 0 HZ PHE A 20 -2.316 2.643 -5.733 1.00 1.00 H new ATOM 305 N PRO A 21 -2.663 -2.362 -8.580 1.00 1.00 N ATOM 306 CA PRO A 21 -3.155 -1.658 -9.745 1.00 1.00 C ATOM 307 C PRO A 21 -3.351 -0.186 -9.408 1.00 1.00 C ATOM 308 O PRO A 21 -3.836 0.121 -8.321 1.00 1.00 O ATOM 309 CB PRO A 21 -4.489 -2.326 -10.072 1.00 1.00 C ATOM 310 CG PRO A 21 -5.010 -2.600 -8.603 1.00 1.00 C ATOM 311 CD PRO A 21 -3.750 -2.907 -7.797 1.00 1.00 C ATOM 0 HA PRO A 21 -2.467 -1.703 -10.589 1.00 1.00 H new ATOM 0 HB2 PRO A 21 -5.156 -1.676 -10.638 1.00 1.00 H new ATOM 0 HB3 PRO A 21 -4.368 -3.241 -10.651 1.00 1.00 H new ATOM 0 HG2 PRO A 21 -5.536 -1.734 -8.201 1.00 1.00 H new ATOM 0 HG3 PRO A 21 -5.709 -3.436 -8.580 1.00 1.00 H new ATOM 0 HD2 PRO A 21 -3.793 -2.450 -6.809 1.00 1.00 H new ATOM 0 HD3 PRO A 21 -3.629 -3.980 -7.647 1.00 1.00 H new ATOM 319 N HIS A 22 -2.973 0.695 -10.334 1.00 1.00 N ATOM 320 CA HIS A 22 -3.097 2.136 -10.153 1.00 1.00 C ATOM 321 C HIS A 22 -4.490 2.601 -10.614 1.00 1.00 C ATOM 322 O HIS A 22 -5.050 3.536 -10.044 1.00 1.00 O ATOM 323 CB HIS A 22 -1.930 2.830 -10.872 1.00 1.00 C ATOM 324 CG HIS A 22 -0.698 3.119 -10.045 1.00 1.00 C ATOM 325 ND1 HIS A 22 0.424 2.401 -10.150 1.00 1.00 N ATOM 326 CD2 HIS A 22 -0.451 4.078 -9.092 1.00 1.00 C ATOM 327 CE1 HIS A 22 1.335 2.893 -9.296 1.00 1.00 C ATOM 328 NE2 HIS A 22 0.847 3.930 -8.617 1.00 1.00 N ATOM 0 H HIS A 22 -2.571 0.426 -11.232 1.00 1.00 H new ATOM 0 HA HIS A 22 -3.026 2.413 -9.101 1.00 1.00 H new ATOM 0 HB2 HIS A 22 -1.634 2.209 -11.718 1.00 1.00 H new ATOM 0 HB3 HIS A 22 -2.294 3.773 -11.280 1.00 1.00 H new ATOM 0 HD1 HIS A 22 0.565 1.609 -10.777 1.00 1.00 H new ATOM 0 HD2 HIS A 22 -1.155 4.829 -8.764 1.00 1.00 H new ATOM 0 HE1 HIS A 22 2.333 2.500 -9.175 1.00 1.00 H new ATOM 336 N ALA A 23 -5.004 1.928 -11.634 1.00 1.00 N ATOM 337 CA ALA A 23 -6.313 2.262 -12.168 1.00 1.00 C ATOM 338 C ALA A 23 -7.308 2.404 -11.015 1.00 1.00 C ATOM 339 O ALA A 23 -7.983 3.418 -10.856 1.00 1.00 O ATOM 340 CB ALA A 23 -6.739 1.196 -13.179 1.00 1.00 C ATOM 0 H ALA A 23 -4.537 1.153 -12.104 1.00 1.00 H new ATOM 0 HA ALA A 23 -6.281 3.216 -12.695 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -7.721 1.446 -13.580 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -6.015 1.156 -13.992 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -6.785 0.225 -12.686 1.00 1.00 H new ATOM 346 N PRO A 24 -7.385 1.347 -10.203 1.00 1.00 N ATOM 347 CA PRO A 24 -8.257 1.265 -9.051 1.00 1.00 C ATOM 348 C PRO A 24 -7.851 2.315 -8.028 1.00 1.00 C ATOM 349 O PRO A 24 -8.539 2.469 -7.021 1.00 1.00 O ATOM 350 CB PRO A 24 -8.048 -0.145 -8.501 1.00 1.00 C ATOM 351 CG PRO A 24 -7.429 -0.953 -9.677 1.00 1.00 C ATOM 352 CD PRO A 24 -6.607 0.137 -10.361 1.00 1.00 C ATOM 0 HA PRO A 24 -9.303 1.448 -9.297 1.00 1.00 H new ATOM 0 HB2 PRO A 24 -7.384 -0.136 -7.637 1.00 1.00 H new ATOM 0 HB3 PRO A 24 -8.991 -0.584 -8.174 1.00 1.00 H new ATOM 0 HG2 PRO A 24 -6.812 -1.782 -9.331 1.00 1.00 H new ATOM 0 HG3 PRO A 24 -8.188 -1.374 -10.336 1.00 1.00 H new ATOM 0 HD2 PRO A 24 -5.624 0.237 -9.901 1.00 1.00 H new ATOM 0 HD3 PRO A 24 -6.445 -0.093 -11.414 1.00 1.00 H new ATOM 360 N HIS A 25 -6.749 3.016 -8.295 1.00 1.00 N ATOM 361 CA HIS A 25 -6.236 4.054 -7.409 1.00 1.00 C ATOM 362 C HIS A 25 -5.857 5.300 -8.231 1.00 1.00 C ATOM 363 O HIS A 25 -4.839 5.934 -7.959 1.00 1.00 O ATOM 364 CB HIS A 25 -5.083 3.473 -6.577 1.00 1.00 C ATOM 365 CG HIS A 25 -5.400 2.260 -5.732 1.00 1.00 C ATOM 366 ND1 HIS A 25 -5.279 1.011 -6.192 1.00 1.00 N ATOM 367 CD2 HIS A 25 -5.839 2.148 -4.434 1.00 1.00 C ATOM 368 CE1 HIS A 25 -5.629 0.155 -5.220 1.00 1.00 C ATOM 369 NE2 HIS A 25 -5.983 0.804 -4.112 1.00 1.00 N ATOM 0 H HIS A 25 -6.187 2.877 -9.135 1.00 1.00 H new ATOM 0 HA HIS A 25 -6.996 4.386 -6.702 1.00 1.00 H new ATOM 0 HB2 HIS A 25 -4.271 3.212 -7.256 1.00 1.00 H new ATOM 0 HB3 HIS A 25 -4.709 4.258 -5.919 1.00 1.00 H new ATOM 0 HD1 HIS A 25 -4.971 0.751 -7.129 1.00 1.00 H new ATOM 0 HD2 HIS A 25 -6.040 2.975 -3.769 1.00 1.00 H new ATOM 0 HE1 HIS A 25 -5.624 -0.920 -5.323 1.00 1.00 H new ATOM 377 N GLU A 26 -6.695 5.609 -9.210 1.00 1.00 N ATOM 378 CA GLU A 26 -6.457 6.762 -10.062 1.00 1.00 C ATOM 379 C GLU A 26 -7.322 7.942 -9.612 1.00 1.00 C ATOM 380 O GLU A 26 -7.356 8.978 -10.273 1.00 1.00 O ATOM 381 CB GLU A 26 -6.716 6.421 -11.531 1.00 1.00 C ATOM 382 CG GLU A 26 -5.475 6.688 -12.383 1.00 1.00 C ATOM 383 CD GLU A 26 -5.835 7.472 -13.647 1.00 1.00 C ATOM 384 OE1 GLU A 26 -6.701 8.358 -13.601 1.00 1.00 O ATOM 385 OE2 GLU A 26 -5.179 7.133 -14.705 1.00 1.00 O ATOM 0 H GLU A 26 -7.539 5.081 -9.432 1.00 1.00 H new ATOM 0 HA GLU A 26 -5.409 7.048 -9.969 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -7.004 5.373 -11.619 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -7.552 7.014 -11.904 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -4.743 7.247 -11.800 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -5.008 5.742 -12.658 1.00 1.00 H new ATOM 393 N LYS A 27 -7.999 7.744 -8.491 1.00 1.00 N ATOM 394 CA LYS A 27 -8.861 8.778 -7.945 1.00 1.00 C ATOM 395 C LYS A 27 -8.294 9.254 -6.606 1.00 1.00 C ATOM 396 O LYS A 27 -8.601 10.356 -6.154 1.00 1.00 O ATOM 397 CB LYS A 27 -10.306 8.282 -7.860 1.00 1.00 C ATOM 398 CG LYS A 27 -11.126 8.777 -9.052 1.00 1.00 C ATOM 399 CD LYS A 27 -11.638 10.199 -8.814 1.00 1.00 C ATOM 400 CE LYS A 27 -12.913 10.464 -9.617 1.00 1.00 C ATOM 401 NZ LYS A 27 -14.072 10.630 -8.710 1.00 1.00 N ATOM 0 H LYS A 27 -7.968 6.883 -7.946 1.00 1.00 H new ATOM 0 HA LYS A 27 -8.884 9.643 -8.607 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -10.319 7.192 -7.832 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -10.760 8.630 -6.932 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -10.514 8.753 -9.954 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -11.969 8.107 -9.221 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -11.836 10.345 -7.752 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -10.869 10.918 -9.097 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -12.788 11.360 -10.224 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -13.096 9.637 -10.303 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -14.929 10.809 -9.271 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -14.200 9.764 -8.149 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -13.901 11.434 -8.072 1.00 1.00 H new ATOM 414 N VAL A 28 -7.476 8.400 -6.008 1.00 1.00 N ATOM 415 CA VAL A 28 -6.864 8.719 -4.730 1.00 1.00 C ATOM 416 C VAL A 28 -5.584 9.523 -4.969 1.00 1.00 C ATOM 417 O VAL A 28 -4.667 9.052 -5.640 1.00 1.00 O ATOM 418 CB VAL A 28 -6.624 7.437 -3.930 1.00 1.00 C ATOM 419 CG1 VAL A 28 -6.196 7.758 -2.496 1.00 1.00 C ATOM 420 CG2 VAL A 28 -7.865 6.542 -3.944 1.00 1.00 C ATOM 0 H VAL A 28 -7.223 7.487 -6.386 1.00 1.00 H new ATOM 0 HA VAL A 28 -7.531 9.340 -4.131 1.00 1.00 H new ATOM 0 HB VAL A 28 -5.811 6.891 -4.408 1.00 1.00 H new ATOM 0 HG11 VAL A 28 -6.032 6.830 -1.949 1.00 1.00 H new ATOM 0 HG12 VAL A 28 -5.273 8.337 -2.513 1.00 1.00 H new ATOM 0 HG13 VAL A 28 -6.978 8.336 -2.004 1.00 1.00 H new ATOM 0 HG21 VAL A 28 -7.668 5.638 -3.368 1.00 1.00 H new ATOM 0 HG22 VAL A 28 -8.705 7.078 -3.502 1.00 1.00 H new ATOM 0 HG23 VAL A 28 -8.107 6.272 -4.972 1.00 1.00 H new ATOM 430 N GLU A 29 -5.563 10.722 -4.406 1.00 1.00 N ATOM 431 CA GLU A 29 -4.410 11.596 -4.550 1.00 1.00 C ATOM 432 C GLU A 29 -3.117 10.806 -4.340 1.00 1.00 C ATOM 433 O GLU A 29 -3.026 9.988 -3.426 1.00 1.00 O ATOM 434 CB GLU A 29 -4.495 12.778 -3.583 1.00 1.00 C ATOM 435 CG GLU A 29 -4.565 14.104 -4.343 1.00 1.00 C ATOM 436 CD GLU A 29 -4.219 15.280 -3.427 1.00 1.00 C ATOM 437 OE1 GLU A 29 -5.061 15.708 -2.623 1.00 1.00 O ATOM 438 OE2 GLU A 29 -3.027 15.751 -3.570 1.00 1.00 O ATOM 0 H GLU A 29 -6.325 11.109 -3.850 1.00 1.00 H new ATOM 0 HA GLU A 29 -4.406 11.998 -5.563 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -5.375 12.671 -2.949 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -3.626 12.777 -2.925 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -3.875 14.080 -5.187 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -5.566 14.240 -4.753 1.00 1.00 H new ATOM 446 N CYS A 30 -2.148 11.080 -5.201 1.00 1.00 N ATOM 447 CA CYS A 30 -0.863 10.405 -5.121 1.00 1.00 C ATOM 448 C CYS A 30 -0.370 10.481 -3.675 1.00 1.00 C ATOM 449 O CYS A 30 -0.184 9.454 -3.024 1.00 1.00 O ATOM 450 CB CYS A 30 0.150 11.000 -6.102 1.00 1.00 C ATOM 451 SG CYS A 30 -0.510 11.343 -7.773 1.00 1.00 S ATOM 0 H CYS A 30 -2.226 11.760 -5.957 1.00 1.00 H new ATOM 0 HA CYS A 30 -0.979 9.360 -5.410 1.00 1.00 H new ATOM 0 HB2 CYS A 30 0.539 11.928 -5.683 1.00 1.00 H new ATOM 0 HB3 CYS A 30 0.992 10.314 -6.193 1.00 1.00 H new ATOM 0 HG CYS A 30 0.431 11.845 -8.517 1.00 1.00 H new ATOM 456 N VAL A 31 -0.172 11.708 -3.214 1.00 1.00 N ATOM 457 CA VAL A 31 0.296 11.931 -1.857 1.00 1.00 C ATOM 458 C VAL A 31 -0.401 10.948 -0.914 1.00 1.00 C ATOM 459 O VAL A 31 0.257 10.245 -0.148 1.00 1.00 O ATOM 460 CB VAL A 31 0.080 13.393 -1.463 1.00 1.00 C ATOM 461 CG1 VAL A 31 -1.374 13.812 -1.689 1.00 1.00 C ATOM 462 CG2 VAL A 31 0.502 13.638 -0.013 1.00 1.00 C ATOM 0 H VAL A 31 -0.327 12.558 -3.757 1.00 1.00 H new ATOM 0 HA VAL A 31 1.368 11.744 -1.787 1.00 1.00 H new ATOM 0 HB VAL A 31 0.710 14.010 -2.104 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -1.501 14.856 -1.401 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -1.627 13.693 -2.742 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -2.031 13.186 -1.085 1.00 1.00 H new ATOM 0 HG21 VAL A 31 0.338 14.685 0.242 1.00 1.00 H new ATOM 0 HG22 VAL A 31 -0.090 13.007 0.650 1.00 1.00 H new ATOM 0 HG23 VAL A 31 1.559 13.397 0.104 1.00 1.00 H new ATOM 472 N THR A 32 -1.723 10.930 -1.001 1.00 1.00 N ATOM 473 CA THR A 32 -2.516 10.045 -0.165 1.00 1.00 C ATOM 474 C THR A 32 -1.802 8.704 0.019 1.00 1.00 C ATOM 475 O THR A 32 -1.928 8.068 1.064 1.00 1.00 O ATOM 476 CB THR A 32 -3.902 9.913 -0.797 1.00 1.00 C ATOM 477 OG1 THR A 32 -4.200 11.228 -1.259 1.00 1.00 O ATOM 478 CG2 THR A 32 -4.993 9.626 0.237 1.00 1.00 C ATOM 0 H THR A 32 -2.265 11.514 -1.638 1.00 1.00 H new ATOM 0 HA THR A 32 -2.638 10.453 0.838 1.00 1.00 H new ATOM 0 HB THR A 32 -3.887 9.115 -1.540 1.00 1.00 H new ATOM 0 HG1 THR A 32 -5.169 11.371 -1.236 1.00 1.00 H new ATOM 0 HG21 THR A 32 -5.957 9.542 -0.265 1.00 1.00 H new ATOM 0 HG22 THR A 32 -4.769 8.692 0.752 1.00 1.00 H new ATOM 0 HG23 THR A 32 -5.031 10.440 0.961 1.00 1.00 H new ATOM 486 N CYS A 33 -1.069 8.313 -1.013 1.00 1.00 N ATOM 487 CA CYS A 33 -0.336 7.060 -0.979 1.00 1.00 C ATOM 488 C CYS A 33 1.160 7.379 -0.931 1.00 1.00 C ATOM 489 O CYS A 33 1.875 6.921 -0.042 1.00 1.00 O ATOM 490 CB CYS A 33 -0.690 6.164 -2.167 1.00 1.00 C ATOM 491 SG CYS A 33 -1.846 4.848 -1.636 1.00 1.00 S ATOM 0 H CYS A 33 -0.967 8.843 -1.879 1.00 1.00 H new ATOM 0 HA CYS A 33 -0.616 6.497 -0.088 1.00 1.00 H new ATOM 0 HB2 CYS A 33 -1.143 6.759 -2.960 1.00 1.00 H new ATOM 0 HB3 CYS A 33 0.215 5.719 -2.580 1.00 1.00 H new ATOM 0 HG CYS A 33 -2.142 4.094 -2.653 1.00 1.00 H new ATOM 496 N HIS A 34 1.598 8.172 -1.910 1.00 1.00 N ATOM 497 CA HIS A 34 2.992 8.585 -2.030 1.00 1.00 C ATOM 498 C HIS A 34 3.257 9.793 -1.112 1.00 1.00 C ATOM 499 O HIS A 34 3.396 10.919 -1.587 1.00 1.00 O ATOM 500 CB HIS A 34 3.310 8.835 -3.511 1.00 1.00 C ATOM 501 CG HIS A 34 3.264 7.635 -4.428 1.00 1.00 C ATOM 502 ND1 HIS A 34 4.255 6.741 -4.494 1.00 1.00 N ATOM 503 CD2 HIS A 34 2.306 7.210 -5.318 1.00 1.00 C ATOM 504 CE1 HIS A 34 3.928 5.796 -5.390 1.00 1.00 C ATOM 505 NE2 HIS A 34 2.735 6.038 -5.929 1.00 1.00 N ATOM 0 H HIS A 34 0.993 8.545 -2.642 1.00 1.00 H new ATOM 0 HA HIS A 34 3.671 7.802 -1.692 1.00 1.00 H new ATOM 0 HB2 HIS A 34 2.608 9.579 -3.889 1.00 1.00 H new ATOM 0 HB3 HIS A 34 4.305 9.274 -3.576 1.00 1.00 H new ATOM 0 HD2 HIS A 34 1.368 7.709 -5.512 1.00 1.00 H new ATOM 0 HE1 HIS A 34 4.551 4.950 -5.641 1.00 1.00 H new ATOM 0 HE2 HIS A 34 2.245 5.486 -6.633 1.00 1.00 H new ATOM 513 N HIS A 35 3.322 9.517 0.191 1.00 1.00 N ATOM 514 CA HIS A 35 3.566 10.536 1.205 1.00 1.00 C ATOM 515 C HIS A 35 4.759 11.413 0.784 1.00 1.00 C ATOM 516 O HIS A 35 5.549 11.015 -0.071 1.00 1.00 O ATOM 517 CB HIS A 35 3.737 9.849 2.568 1.00 1.00 C ATOM 518 CG HIS A 35 5.027 9.093 2.791 1.00 1.00 C ATOM 519 ND1 HIS A 35 5.263 7.778 3.113 1.00 1.00 N flip ATOM 520 CD2 HIS A 35 6.227 9.673 2.693 1.00 1.00 C flip ATOM 521 CE1 HIS A 35 6.634 7.568 3.209 1.00 1.00 C flip ATOM 522 NE2 HIS A 35 7.174 8.756 2.943 1.00 1.00 N flip ATOM 0 H HIS A 35 3.206 8.577 0.571 1.00 1.00 H new ATOM 0 HA HIS A 35 2.719 11.215 1.301 1.00 1.00 H new ATOM 0 HB2 HIS A 35 3.649 10.608 3.345 1.00 1.00 H new ATOM 0 HB3 HIS A 35 2.908 9.155 2.705 1.00 1.00 H new ATOM 0 HD1 HIS A 35 4.545 7.068 3.259 1.00 1.00 H new ATOM 0 HD2 HIS A 35 6.405 10.711 2.452 1.00 1.00 H new ATOM 0 HE1 HIS A 35 7.146 6.647 3.446 1.00 1.00 H new ATOM 530 N LEU A 36 4.849 12.582 1.402 1.00 1.00 N ATOM 531 CA LEU A 36 5.928 13.507 1.100 1.00 1.00 C ATOM 532 C LEU A 36 7.149 13.156 1.953 1.00 1.00 C ATOM 533 O LEU A 36 7.009 12.636 3.059 1.00 1.00 O ATOM 534 CB LEU A 36 5.457 14.953 1.266 1.00 1.00 C ATOM 535 CG LEU A 36 4.027 15.249 0.808 1.00 1.00 C ATOM 536 CD1 LEU A 36 3.766 16.756 0.766 1.00 1.00 C ATOM 537 CD2 LEU A 36 3.731 14.578 -0.535 1.00 1.00 C ATOM 0 H LEU A 36 4.192 12.909 2.110 1.00 1.00 H new ATOM 0 HA LEU A 36 6.230 13.412 0.057 1.00 1.00 H new ATOM 0 HB2 LEU A 36 5.544 15.224 2.318 1.00 1.00 H new ATOM 0 HB3 LEU A 36 6.136 15.601 0.713 1.00 1.00 H new ATOM 0 HG LEU A 36 3.339 14.823 1.539 1.00 1.00 H new ATOM 0 HD11 LEU A 36 2.743 16.939 0.437 1.00 1.00 H new ATOM 0 HD12 LEU A 36 3.909 17.178 1.761 1.00 1.00 H new ATOM 0 HD13 LEU A 36 4.460 17.226 0.070 1.00 1.00 H new ATOM 0 HD21 LEU A 36 2.709 14.804 -0.837 1.00 1.00 H new ATOM 0 HD22 LEU A 36 4.424 14.952 -1.289 1.00 1.00 H new ATOM 0 HD23 LEU A 36 3.850 13.499 -0.437 1.00 1.00 H new ATOM 549 N VAL A 37 8.318 13.455 1.407 1.00 1.00 N ATOM 550 CA VAL A 37 9.563 13.178 2.105 1.00 1.00 C ATOM 551 C VAL A 37 10.311 14.491 2.345 1.00 1.00 C ATOM 552 O VAL A 37 10.776 15.127 1.399 1.00 1.00 O ATOM 553 CB VAL A 37 10.386 12.156 1.319 1.00 1.00 C ATOM 554 CG1 VAL A 37 11.750 11.931 1.974 1.00 1.00 C ATOM 555 CG2 VAL A 37 9.625 10.837 1.171 1.00 1.00 C ATOM 0 H VAL A 37 8.430 13.886 0.489 1.00 1.00 H new ATOM 0 HA VAL A 37 9.364 12.735 3.081 1.00 1.00 H new ATOM 0 HB VAL A 37 10.556 12.559 0.321 1.00 1.00 H new ATOM 0 HG11 VAL A 37 12.315 11.200 1.396 1.00 1.00 H new ATOM 0 HG12 VAL A 37 12.299 12.872 2.005 1.00 1.00 H new ATOM 0 HG13 VAL A 37 11.609 11.560 2.989 1.00 1.00 H new ATOM 0 HG21 VAL A 37 10.232 10.128 0.608 1.00 1.00 H new ATOM 0 HG22 VAL A 37 9.411 10.428 2.158 1.00 1.00 H new ATOM 0 HG23 VAL A 37 8.689 11.014 0.641 1.00 1.00 H new ATOM 565 N ASP A 38 10.405 14.858 3.614 1.00 1.00 N ATOM 566 CA ASP A 38 11.089 16.084 3.990 1.00 1.00 C ATOM 567 C ASP A 38 10.481 17.259 3.222 1.00 1.00 C ATOM 568 O ASP A 38 11.202 18.136 2.750 1.00 1.00 O ATOM 569 CB ASP A 38 12.577 16.012 3.644 1.00 1.00 C ATOM 570 CG ASP A 38 13.456 15.342 4.702 1.00 1.00 C ATOM 571 OD1 ASP A 38 13.007 14.444 5.430 1.00 1.00 O ATOM 572 OD2 ASP A 38 14.667 15.782 4.764 1.00 1.00 O ATOM 0 H ASP A 38 10.019 14.328 4.395 1.00 1.00 H new ATOM 0 HA ASP A 38 10.975 16.218 5.066 1.00 1.00 H new ATOM 0 HB2 ASP A 38 12.690 15.472 2.704 1.00 1.00 H new ATOM 0 HB3 ASP A 38 12.945 17.024 3.476 1.00 1.00 H new ATOM 578 N GLY A 39 9.160 17.237 3.120 1.00 1.00 N ATOM 579 CA GLY A 39 8.446 18.290 2.417 1.00 1.00 C ATOM 580 C GLY A 39 8.972 18.449 0.989 1.00 1.00 C ATOM 581 O GLY A 39 9.083 19.566 0.485 1.00 1.00 O ATOM 0 H GLY A 39 8.565 16.507 3.512 1.00 1.00 H new ATOM 0 HA2 GLY A 39 7.381 18.059 2.393 1.00 1.00 H new ATOM 0 HA3 GLY A 39 8.556 19.231 2.956 1.00 1.00 H new ATOM 585 N LYS A 40 9.282 17.316 0.376 1.00 1.00 N ATOM 586 CA LYS A 40 9.794 17.316 -0.984 1.00 1.00 C ATOM 587 C LYS A 40 9.117 16.197 -1.778 1.00 1.00 C ATOM 588 O LYS A 40 9.142 15.037 -1.368 1.00 1.00 O ATOM 589 CB LYS A 40 11.322 17.231 -0.981 1.00 1.00 C ATOM 590 CG LYS A 40 11.906 17.828 -2.264 1.00 1.00 C ATOM 591 CD LYS A 40 11.983 16.777 -3.372 1.00 1.00 C ATOM 592 CE LYS A 40 12.141 17.436 -4.744 1.00 1.00 C ATOM 593 NZ LYS A 40 13.573 17.565 -5.095 1.00 1.00 N ATOM 0 H LYS A 40 9.188 16.391 0.796 1.00 1.00 H new ATOM 0 HA LYS A 40 9.551 18.254 -1.483 1.00 1.00 H new ATOM 0 HB2 LYS A 40 11.718 17.762 -0.115 1.00 1.00 H new ATOM 0 HB3 LYS A 40 11.632 16.190 -0.886 1.00 1.00 H new ATOM 0 HG2 LYS A 40 11.290 18.664 -2.593 1.00 1.00 H new ATOM 0 HG3 LYS A 40 12.901 18.225 -2.064 1.00 1.00 H new ATOM 0 HD2 LYS A 40 12.824 16.109 -3.187 1.00 1.00 H new ATOM 0 HD3 LYS A 40 11.081 16.165 -3.361 1.00 1.00 H new ATOM 0 HE2 LYS A 40 11.627 16.843 -5.500 1.00 1.00 H new ATOM 0 HE3 LYS A 40 11.672 18.420 -4.738 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 13.662 18.014 -6.029 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 14.054 18.150 -4.382 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 14.010 16.622 -5.121 1.00 1.00 H new ATOM 606 N GLU A 41 8.529 16.584 -2.901 1.00 1.00 N ATOM 607 CA GLU A 41 7.847 15.628 -3.756 1.00 1.00 C ATOM 608 C GLU A 41 8.736 14.407 -4.002 1.00 1.00 C ATOM 609 O GLU A 41 9.875 14.544 -4.446 1.00 1.00 O ATOM 610 CB GLU A 41 7.427 16.276 -5.077 1.00 1.00 C ATOM 611 CG GLU A 41 6.318 17.306 -4.854 1.00 1.00 C ATOM 612 CD GLU A 41 5.851 17.904 -6.183 1.00 1.00 C ATOM 613 OE1 GLU A 41 5.568 17.159 -7.133 1.00 1.00 O ATOM 614 OE2 GLU A 41 5.784 19.192 -6.207 1.00 1.00 O ATOM 0 H GLU A 41 8.511 17.547 -3.238 1.00 1.00 H new ATOM 0 HA GLU A 41 6.941 15.297 -3.248 1.00 1.00 H new ATOM 0 HB2 GLU A 41 8.288 16.758 -5.540 1.00 1.00 H new ATOM 0 HB3 GLU A 41 7.081 15.508 -5.769 1.00 1.00 H new ATOM 0 HG2 GLU A 41 5.476 16.835 -4.347 1.00 1.00 H new ATOM 0 HG3 GLU A 41 6.680 18.100 -4.201 1.00 1.00 H new ATOM 622 N SER A 42 8.182 13.242 -3.704 1.00 1.00 N ATOM 623 CA SER A 42 8.910 11.998 -3.888 1.00 1.00 C ATOM 624 C SER A 42 8.006 10.954 -4.547 1.00 1.00 C ATOM 625 O SER A 42 6.788 10.947 -4.381 1.00 1.00 O ATOM 626 CB SER A 42 9.444 11.470 -2.554 1.00 1.00 C ATOM 627 OG SER A 42 10.230 10.293 -2.722 1.00 1.00 O ATOM 0 H SER A 42 7.237 13.133 -3.336 1.00 1.00 H new ATOM 0 HA SER A 42 9.762 12.194 -4.539 1.00 1.00 H new ATOM 0 HB2 SER A 42 10.045 12.242 -2.073 1.00 1.00 H new ATOM 0 HB3 SER A 42 8.608 11.256 -1.888 1.00 1.00 H new ATOM 0 HG SER A 42 10.554 9.988 -1.849 1.00 1.00 H new ATOM 633 N TYR A 43 8.639 10.061 -5.311 1.00 1.00 N ATOM 634 CA TYR A 43 7.925 9.009 -6.006 1.00 1.00 C ATOM 635 C TYR A 43 8.871 7.854 -6.305 1.00 1.00 C ATOM 636 O TYR A 43 8.869 7.361 -7.432 1.00 1.00 O ATOM 637 CB TYR A 43 7.329 9.567 -7.295 1.00 1.00 C ATOM 638 CG TYR A 43 6.181 10.521 -7.064 1.00 1.00 C ATOM 639 CD1 TYR A 43 6.437 11.858 -6.739 1.00 1.00 C ATOM 640 CD2 TYR A 43 4.861 10.068 -7.175 1.00 1.00 C ATOM 641 CE1 TYR A 43 5.373 12.743 -6.526 1.00 1.00 C ATOM 642 CE2 TYR A 43 3.797 10.952 -6.962 1.00 1.00 C ATOM 643 CZ TYR A 43 4.053 12.290 -6.638 1.00 1.00 C ATOM 644 OH TYR A 43 3.016 13.152 -6.430 1.00 1.00 O ATOM 0 H TYR A 43 9.648 10.053 -5.459 1.00 1.00 H new ATOM 0 HA TYR A 43 7.116 8.636 -5.378 1.00 1.00 H new ATOM 0 HB2 TYR A 43 8.111 10.080 -7.855 1.00 1.00 H new ATOM 0 HB3 TYR A 43 6.984 8.739 -7.915 1.00 1.00 H new ATOM 0 HD1 TYR A 43 7.455 12.207 -6.652 1.00 1.00 H new ATOM 0 HD2 TYR A 43 4.664 9.036 -7.425 1.00 1.00 H new ATOM 0 HE1 TYR A 43 5.571 13.775 -6.275 1.00 1.00 H new ATOM 0 HE2 TYR A 43 2.779 10.602 -7.048 1.00 1.00 H new ATOM 0 HH TYR A 43 2.248 12.877 -6.973 1.00 1.00 H new ATOM 654 N ALA A 44 9.646 7.450 -5.310 1.00 1.00 N ATOM 655 CA ALA A 44 10.584 6.354 -5.490 1.00 1.00 C ATOM 656 C ALA A 44 9.949 5.057 -4.985 1.00 1.00 C ATOM 657 O ALA A 44 9.088 5.084 -4.108 1.00 1.00 O ATOM 658 CB ALA A 44 11.894 6.681 -4.770 1.00 1.00 C ATOM 0 H ALA A 44 9.644 7.861 -4.377 1.00 1.00 H new ATOM 0 HA ALA A 44 10.817 6.217 -6.546 1.00 1.00 H new ATOM 0 HB1 ALA A 44 12.598 5.860 -4.904 1.00 1.00 H new ATOM 0 HB2 ALA A 44 12.319 7.595 -5.185 1.00 1.00 H new ATOM 0 HB3 ALA A 44 11.699 6.822 -3.707 1.00 1.00 H new ATOM 664 N LYS A 45 10.400 3.952 -5.561 1.00 1.00 N ATOM 665 CA LYS A 45 9.887 2.647 -5.181 1.00 1.00 C ATOM 666 C LYS A 45 9.691 2.603 -3.664 1.00 1.00 C ATOM 667 O LYS A 45 10.421 3.257 -2.921 1.00 1.00 O ATOM 668 CB LYS A 45 10.794 1.538 -5.716 1.00 1.00 C ATOM 669 CG LYS A 45 10.275 1.002 -7.052 1.00 1.00 C ATOM 670 CD LYS A 45 9.853 -0.464 -6.928 1.00 1.00 C ATOM 671 CE LYS A 45 9.441 -1.032 -8.288 1.00 1.00 C ATOM 672 NZ LYS A 45 10.604 -1.645 -8.967 1.00 1.00 N ATOM 0 H LYS A 45 11.115 3.934 -6.288 1.00 1.00 H new ATOM 0 HA LYS A 45 8.911 2.475 -5.634 1.00 1.00 H new ATOM 0 HB2 LYS A 45 11.807 1.921 -5.842 1.00 1.00 H new ATOM 0 HB3 LYS A 45 10.848 0.726 -4.991 1.00 1.00 H new ATOM 0 HG2 LYS A 45 9.427 1.601 -7.384 1.00 1.00 H new ATOM 0 HG3 LYS A 45 11.050 1.098 -7.812 1.00 1.00 H new ATOM 0 HD2 LYS A 45 10.676 -1.050 -6.519 1.00 1.00 H new ATOM 0 HD3 LYS A 45 9.022 -0.549 -6.227 1.00 1.00 H new ATOM 0 HE2 LYS A 45 8.656 -1.776 -8.155 1.00 1.00 H new ATOM 0 HE3 LYS A 45 9.026 -0.239 -8.910 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 10.307 -2.026 -9.888 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 11.341 -0.925 -9.111 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 10.982 -2.416 -8.380 1.00 1.00 H new ATOM 685 N CYS A 46 8.701 1.826 -3.250 1.00 1.00 N ATOM 686 CA CYS A 46 8.400 1.688 -1.835 1.00 1.00 C ATOM 687 C CYS A 46 9.701 1.370 -1.095 1.00 1.00 C ATOM 688 O CYS A 46 9.883 1.776 0.052 1.00 1.00 O ATOM 689 CB CYS A 46 7.328 0.625 -1.585 1.00 1.00 C ATOM 690 SG CYS A 46 5.892 1.199 -0.605 1.00 1.00 S ATOM 0 H CYS A 46 8.097 1.286 -3.869 1.00 1.00 H new ATOM 0 HA CYS A 46 7.987 2.623 -1.457 1.00 1.00 H new ATOM 0 HB2 CYS A 46 6.970 0.257 -2.546 1.00 1.00 H new ATOM 0 HB3 CYS A 46 7.787 -0.220 -1.071 1.00 1.00 H new ATOM 0 HG CYS A 46 4.957 0.296 -0.635 1.00 1.00 H new ATOM 695 N GLY A 47 10.573 0.647 -1.783 1.00 1.00 N ATOM 696 CA GLY A 47 11.852 0.270 -1.206 1.00 1.00 C ATOM 697 C GLY A 47 13.011 0.898 -1.983 1.00 1.00 C ATOM 698 O GLY A 47 13.798 0.191 -2.610 1.00 1.00 O ATOM 0 H GLY A 47 10.419 0.313 -2.734 1.00 1.00 H new ATOM 0 HA2 GLY A 47 11.893 0.589 -0.164 1.00 1.00 H new ATOM 0 HA3 GLY A 47 11.952 -0.815 -1.212 1.00 1.00 H new ATOM 702 N SER A 48 13.079 2.220 -1.915 1.00 1.00 N ATOM 703 CA SER A 48 14.129 2.951 -2.605 1.00 1.00 C ATOM 704 C SER A 48 15.256 3.294 -1.628 1.00 1.00 C ATOM 705 O SER A 48 15.098 3.149 -0.417 1.00 1.00 O ATOM 706 CB SER A 48 13.579 4.225 -3.250 1.00 1.00 C ATOM 707 OG SER A 48 14.619 5.059 -3.754 1.00 1.00 O ATOM 0 H SER A 48 12.425 2.803 -1.393 1.00 1.00 H new ATOM 0 HA SER A 48 14.525 2.316 -3.398 1.00 1.00 H new ATOM 0 HB2 SER A 48 12.903 3.958 -4.062 1.00 1.00 H new ATOM 0 HB3 SER A 48 12.993 4.779 -2.517 1.00 1.00 H new ATOM 0 HG SER A 48 14.405 5.997 -3.568 1.00 1.00 H new ATOM 713 N SER A 49 16.368 3.742 -2.192 1.00 1.00 N ATOM 714 CA SER A 49 17.521 4.107 -1.387 1.00 1.00 C ATOM 715 C SER A 49 17.086 5.006 -0.228 1.00 1.00 C ATOM 716 O SER A 49 16.510 6.071 -0.446 1.00 1.00 O ATOM 717 CB SER A 49 18.584 4.809 -2.233 1.00 1.00 C ATOM 718 OG SER A 49 18.253 6.173 -2.483 1.00 1.00 O ATOM 0 H SER A 49 16.495 3.860 -3.197 1.00 1.00 H new ATOM 0 HA SER A 49 17.960 3.194 -0.985 1.00 1.00 H new ATOM 0 HB2 SER A 49 19.546 4.757 -1.723 1.00 1.00 H new ATOM 0 HB3 SER A 49 18.698 4.284 -3.181 1.00 1.00 H new ATOM 0 HG SER A 49 17.516 6.444 -1.896 1.00 1.00 H new ATOM 724 N GLY A 50 17.379 4.545 0.979 1.00 1.00 N ATOM 725 CA GLY A 50 17.026 5.294 2.173 1.00 1.00 C ATOM 726 C GLY A 50 15.508 5.335 2.365 1.00 1.00 C ATOM 727 O GLY A 50 14.943 6.391 2.646 1.00 1.00 O ATOM 0 H GLY A 50 17.857 3.662 1.156 1.00 1.00 H new ATOM 0 HA2 GLY A 50 17.494 4.837 3.045 1.00 1.00 H new ATOM 0 HA3 GLY A 50 17.414 6.310 2.098 1.00 1.00 H new ATOM 731 N CYS A 51 14.892 4.173 2.207 1.00 1.00 N ATOM 732 CA CYS A 51 13.451 4.063 2.359 1.00 1.00 C ATOM 733 C CYS A 51 13.138 2.707 2.993 1.00 1.00 C ATOM 734 O CYS A 51 13.899 2.205 3.818 1.00 1.00 O ATOM 735 CB CYS A 51 12.725 4.252 1.026 1.00 1.00 C ATOM 736 SG CYS A 51 13.399 5.708 0.147 1.00 1.00 S ATOM 0 H CYS A 51 15.364 3.299 1.975 1.00 1.00 H new ATOM 0 HA CYS A 51 13.089 4.859 3.009 1.00 1.00 H new ATOM 0 HB2 CYS A 51 12.840 3.360 0.410 1.00 1.00 H new ATOM 0 HB3 CYS A 51 11.657 4.384 1.200 1.00 1.00 H new ATOM 0 HG CYS A 51 14.043 6.463 0.987 1.00 1.00 H new ATOM 741 N HIS A 52 12.002 2.141 2.582 1.00 1.00 N ATOM 742 CA HIS A 52 11.537 0.850 3.074 1.00 1.00 C ATOM 743 C HIS A 52 12.034 -0.272 2.143 1.00 1.00 C ATOM 744 O HIS A 52 11.251 -0.831 1.377 1.00 1.00 O ATOM 745 CB HIS A 52 10.011 0.901 3.242 1.00 1.00 C ATOM 746 CG HIS A 52 9.427 2.200 3.749 1.00 1.00 C ATOM 747 ND1 HIS A 52 9.445 2.542 5.040 1.00 1.00 N ATOM 748 CD2 HIS A 52 8.806 3.233 3.088 1.00 1.00 C ATOM 749 CE1 HIS A 52 8.858 3.741 5.180 1.00 1.00 C ATOM 750 NE2 HIS A 52 8.444 4.213 4.005 1.00 1.00 N ATOM 0 H HIS A 52 11.379 2.569 1.897 1.00 1.00 H new ATOM 0 HA HIS A 52 11.952 0.625 4.056 1.00 1.00 H new ATOM 0 HB2 HIS A 52 9.555 0.676 2.278 1.00 1.00 H new ATOM 0 HB3 HIS A 52 9.717 0.106 3.927 1.00 1.00 H new ATOM 0 HD1 HIS A 52 9.840 1.983 5.796 1.00 1.00 H new ATOM 0 HD2 HIS A 52 8.627 3.276 2.024 1.00 1.00 H new ATOM 0 HE1 HIS A 52 8.737 4.256 6.122 1.00 1.00 H new ATOM 758 N ASP A 53 13.323 -0.562 2.243 1.00 1.00 N ATOM 759 CA ASP A 53 13.922 -1.601 1.422 1.00 1.00 C ATOM 760 C ASP A 53 14.657 -2.596 2.323 1.00 1.00 C ATOM 761 O ASP A 53 15.839 -2.866 2.119 1.00 1.00 O ATOM 762 CB ASP A 53 14.937 -1.011 0.442 1.00 1.00 C ATOM 763 CG ASP A 53 16.231 -0.501 1.079 1.00 1.00 C ATOM 764 OD1 ASP A 53 16.388 -0.520 2.309 1.00 1.00 O ATOM 765 OD2 ASP A 53 17.114 -0.065 0.246 1.00 1.00 O ATOM 0 H ASP A 53 13.969 -0.096 2.880 1.00 1.00 H new ATOM 0 HA ASP A 53 13.125 -2.092 0.863 1.00 1.00 H new ATOM 0 HB2 ASP A 53 15.189 -1.771 -0.298 1.00 1.00 H new ATOM 0 HB3 ASP A 53 14.465 -0.188 -0.095 1.00 1.00 H new ATOM 771 N ASP A 54 13.926 -3.113 3.299 1.00 1.00 N ATOM 772 CA ASP A 54 14.493 -4.072 4.232 1.00 1.00 C ATOM 773 C ASP A 54 13.364 -4.866 4.891 1.00 1.00 C ATOM 774 O ASP A 54 12.791 -4.428 5.887 1.00 1.00 O ATOM 775 CB ASP A 54 15.281 -3.366 5.337 1.00 1.00 C ATOM 776 CG ASP A 54 15.670 -4.252 6.522 1.00 1.00 C ATOM 777 OD1 ASP A 54 14.846 -4.535 7.404 1.00 1.00 O ATOM 778 OD2 ASP A 54 16.892 -4.663 6.518 1.00 1.00 O ATOM 0 H ASP A 54 12.945 -2.886 3.464 1.00 1.00 H new ATOM 0 HA ASP A 54 15.161 -4.728 3.675 1.00 1.00 H new ATOM 0 HB2 ASP A 54 16.189 -2.946 4.903 1.00 1.00 H new ATOM 0 HB3 ASP A 54 14.688 -2.530 5.707 1.00 1.00 H new ATOM 784 N LEU A 55 13.077 -6.021 4.307 1.00 1.00 N ATOM 785 CA LEU A 55 12.026 -6.880 4.825 1.00 1.00 C ATOM 786 C LEU A 55 12.625 -7.855 5.841 1.00 1.00 C ATOM 787 O LEU A 55 11.995 -8.849 6.199 1.00 1.00 O ATOM 788 CB LEU A 55 11.283 -7.568 3.679 1.00 1.00 C ATOM 789 CG LEU A 55 10.153 -6.761 3.033 1.00 1.00 C ATOM 790 CD1 LEU A 55 8.969 -6.614 3.990 1.00 1.00 C ATOM 791 CD2 LEU A 55 10.662 -5.406 2.537 1.00 1.00 C ATOM 0 H LEU A 55 13.554 -6.381 3.481 1.00 1.00 H new ATOM 0 HA LEU A 55 11.277 -6.289 5.352 1.00 1.00 H new ATOM 0 HB2 LEU A 55 12.007 -7.826 2.906 1.00 1.00 H new ATOM 0 HB3 LEU A 55 10.867 -8.504 4.052 1.00 1.00 H new ATOM 0 HG LEU A 55 9.796 -7.309 2.161 1.00 1.00 H new ATOM 0 HD11 LEU A 55 8.180 -6.037 3.507 1.00 1.00 H new ATOM 0 HD12 LEU A 55 8.588 -7.601 4.252 1.00 1.00 H new ATOM 0 HD13 LEU A 55 9.294 -6.099 4.894 1.00 1.00 H new ATOM 0 HD21 LEU A 55 9.840 -4.853 2.083 1.00 1.00 H new ATOM 0 HD22 LEU A 55 11.061 -4.838 3.377 1.00 1.00 H new ATOM 0 HD23 LEU A 55 11.448 -5.561 1.798 1.00 1.00 H new ATOM 803 N THR A 56 13.835 -7.536 6.277 1.00 1.00 N ATOM 804 CA THR A 56 14.526 -8.372 7.245 1.00 1.00 C ATOM 805 C THR A 56 13.881 -8.234 8.625 1.00 1.00 C ATOM 806 O THR A 56 14.058 -9.095 9.486 1.00 1.00 O ATOM 807 CB THR A 56 16.008 -7.990 7.226 1.00 1.00 C ATOM 808 OG1 THR A 56 16.531 -8.688 6.099 1.00 1.00 O ATOM 809 CG2 THR A 56 16.777 -8.571 8.414 1.00 1.00 C ATOM 0 H THR A 56 14.355 -6.711 5.978 1.00 1.00 H new ATOM 0 HA THR A 56 14.444 -9.428 6.987 1.00 1.00 H new ATOM 0 HB THR A 56 16.104 -6.904 7.228 1.00 1.00 H new ATOM 0 HG1 THR A 56 17.488 -8.496 6.010 1.00 1.00 H new ATOM 0 HG21 THR A 56 17.823 -8.270 8.353 1.00 1.00 H new ATOM 0 HG22 THR A 56 16.346 -8.199 9.343 1.00 1.00 H new ATOM 0 HG23 THR A 56 16.711 -9.659 8.394 1.00 1.00 H new ATOM 817 N ALA A 57 13.146 -7.144 8.794 1.00 1.00 N ATOM 818 CA ALA A 57 12.473 -6.883 10.055 1.00 1.00 C ATOM 819 C ALA A 57 10.979 -7.170 9.900 1.00 1.00 C ATOM 820 O ALA A 57 10.464 -7.217 8.783 1.00 1.00 O ATOM 821 CB ALA A 57 12.748 -5.442 10.491 1.00 1.00 C ATOM 0 H ALA A 57 13.002 -6.432 8.078 1.00 1.00 H new ATOM 0 HA ALA A 57 12.855 -7.539 10.837 1.00 1.00 H new ATOM 0 HB1 ALA A 57 12.243 -5.245 11.437 1.00 1.00 H new ATOM 0 HB2 ALA A 57 13.821 -5.298 10.615 1.00 1.00 H new ATOM 0 HB3 ALA A 57 12.375 -4.755 9.731 1.00 1.00 H new ATOM 827 N LYS A 58 10.323 -7.354 11.036 1.00 1.00 N ATOM 828 CA LYS A 58 8.898 -7.636 11.041 1.00 1.00 C ATOM 829 C LYS A 58 8.131 -6.359 11.393 1.00 1.00 C ATOM 830 O LYS A 58 6.902 -6.345 11.378 1.00 1.00 O ATOM 831 CB LYS A 58 8.587 -8.814 11.966 1.00 1.00 C ATOM 832 CG LYS A 58 7.214 -9.411 11.652 1.00 1.00 C ATOM 833 CD LYS A 58 6.766 -10.369 12.758 1.00 1.00 C ATOM 834 CE LYS A 58 5.642 -11.284 12.268 1.00 1.00 C ATOM 835 NZ LYS A 58 5.425 -12.394 13.222 1.00 1.00 N ATOM 0 H LYS A 58 10.753 -7.313 11.960 1.00 1.00 H new ATOM 0 HA LYS A 58 8.568 -7.944 10.049 1.00 1.00 H new ATOM 0 HB2 LYS A 58 9.354 -9.580 11.855 1.00 1.00 H new ATOM 0 HB3 LYS A 58 8.615 -8.483 13.004 1.00 1.00 H new ATOM 0 HG2 LYS A 58 6.482 -8.611 11.541 1.00 1.00 H new ATOM 0 HG3 LYS A 58 7.253 -9.941 10.701 1.00 1.00 H new ATOM 0 HD2 LYS A 58 7.613 -10.971 13.087 1.00 1.00 H new ATOM 0 HD3 LYS A 58 6.425 -9.799 13.622 1.00 1.00 H new ATOM 0 HE2 LYS A 58 4.722 -10.711 12.153 1.00 1.00 H new ATOM 0 HE3 LYS A 58 5.893 -11.684 11.286 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 4.659 -13.006 12.875 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 6.299 -12.951 13.312 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 5.164 -12.007 14.151 1.00 1.00 H new ATOM 848 N LYS A 59 8.890 -5.318 11.701 1.00 1.00 N ATOM 849 CA LYS A 59 8.298 -4.039 12.056 1.00 1.00 C ATOM 850 C LYS A 59 9.408 -3.005 12.254 1.00 1.00 C ATOM 851 O LYS A 59 10.398 -3.274 12.932 1.00 1.00 O ATOM 852 CB LYS A 59 7.378 -4.193 13.268 1.00 1.00 C ATOM 853 CG LYS A 59 8.166 -4.639 14.502 1.00 1.00 C ATOM 854 CD LYS A 59 7.749 -3.839 15.737 1.00 1.00 C ATOM 855 CE LYS A 59 6.804 -4.651 16.624 1.00 1.00 C ATOM 856 NZ LYS A 59 6.670 -4.019 17.956 1.00 1.00 N ATOM 0 H LYS A 59 9.910 -5.334 11.712 1.00 1.00 H new ATOM 0 HA LYS A 59 7.664 -3.675 11.247 1.00 1.00 H new ATOM 0 HB2 LYS A 59 6.880 -3.246 13.473 1.00 1.00 H new ATOM 0 HB3 LYS A 59 6.598 -4.922 13.047 1.00 1.00 H new ATOM 0 HG2 LYS A 59 8.000 -5.702 14.679 1.00 1.00 H new ATOM 0 HG3 LYS A 59 9.233 -4.509 14.323 1.00 1.00 H new ATOM 0 HD2 LYS A 59 8.634 -3.555 16.307 1.00 1.00 H new ATOM 0 HD3 LYS A 59 7.259 -2.915 15.428 1.00 1.00 H new ATOM 0 HE2 LYS A 59 5.825 -4.725 16.150 1.00 1.00 H new ATOM 0 HE3 LYS A 59 7.183 -5.667 16.734 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 6.025 -4.584 18.545 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 7.603 -3.971 18.413 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 6.288 -3.058 17.847 1.00 1.00 H new ATOM 869 N GLY A 60 9.205 -1.843 11.650 1.00 1.00 N ATOM 870 CA GLY A 60 10.177 -0.768 11.751 1.00 1.00 C ATOM 871 C GLY A 60 10.057 0.192 10.566 1.00 1.00 C ATOM 872 O GLY A 60 9.547 -0.179 9.510 1.00 1.00 O ATOM 0 H GLY A 60 8.382 -1.623 11.089 1.00 1.00 H new ATOM 0 HA2 GLY A 60 10.026 -0.222 12.682 1.00 1.00 H new ATOM 0 HA3 GLY A 60 11.184 -1.185 11.786 1.00 1.00 H new ATOM 876 N GLU A 61 10.536 1.409 10.780 1.00 1.00 N ATOM 877 CA GLU A 61 10.490 2.425 9.743 1.00 1.00 C ATOM 878 C GLU A 61 11.224 1.940 8.491 1.00 1.00 C ATOM 879 O GLU A 61 11.047 2.497 7.409 1.00 1.00 O ATOM 880 CB GLU A 61 11.074 3.747 10.244 1.00 1.00 C ATOM 881 CG GLU A 61 12.315 3.507 11.106 1.00 1.00 C ATOM 882 CD GLU A 61 11.995 3.693 12.590 1.00 1.00 C ATOM 883 OE1 GLU A 61 11.381 4.701 12.970 1.00 1.00 O ATOM 884 OE2 GLU A 61 12.408 2.744 13.361 1.00 1.00 O ATOM 0 H GLU A 61 10.958 1.714 11.657 1.00 1.00 H new ATOM 0 HA GLU A 61 9.447 2.603 9.482 1.00 1.00 H new ATOM 0 HB2 GLU A 61 11.334 4.379 9.395 1.00 1.00 H new ATOM 0 HB3 GLU A 61 10.323 4.284 10.823 1.00 1.00 H new ATOM 0 HG2 GLU A 61 12.692 2.499 10.935 1.00 1.00 H new ATOM 0 HG3 GLU A 61 13.106 4.197 10.811 1.00 1.00 H new ATOM 892 N LYS A 62 12.032 0.908 8.681 1.00 1.00 N ATOM 893 CA LYS A 62 12.794 0.341 7.581 1.00 1.00 C ATOM 894 C LYS A 62 12.216 -1.029 7.218 1.00 1.00 C ATOM 895 O LYS A 62 12.961 -1.961 6.920 1.00 1.00 O ATOM 896 CB LYS A 62 14.285 0.309 7.922 1.00 1.00 C ATOM 897 CG LYS A 62 14.677 1.516 8.777 1.00 1.00 C ATOM 898 CD LYS A 62 15.994 2.127 8.292 1.00 1.00 C ATOM 899 CE LYS A 62 16.505 3.181 9.276 1.00 1.00 C ATOM 900 NZ LYS A 62 17.764 3.782 8.783 1.00 1.00 N ATOM 0 H LYS A 62 12.176 0.449 9.581 1.00 1.00 H new ATOM 0 HA LYS A 62 12.707 0.969 6.694 1.00 1.00 H new ATOM 0 HB2 LYS A 62 14.520 -0.612 8.456 1.00 1.00 H new ATOM 0 HB3 LYS A 62 14.872 0.303 7.004 1.00 1.00 H new ATOM 0 HG2 LYS A 62 13.887 2.266 8.737 1.00 1.00 H new ATOM 0 HG3 LYS A 62 14.775 1.212 9.819 1.00 1.00 H new ATOM 0 HD2 LYS A 62 16.741 1.342 8.174 1.00 1.00 H new ATOM 0 HD3 LYS A 62 15.849 2.580 7.311 1.00 1.00 H new ATOM 0 HE2 LYS A 62 15.752 3.958 9.410 1.00 1.00 H new ATOM 0 HE3 LYS A 62 16.670 2.726 10.253 1.00 1.00 H new ATOM 0 HZ1 LYS A 62 18.098 4.495 9.462 1.00 1.00 H new ATOM 0 HZ2 LYS A 62 18.485 3.040 8.678 1.00 1.00 H new ATOM 0 HZ3 LYS A 62 17.596 4.234 7.862 1.00 1.00 H new ATOM 913 N SER A 63 10.894 -1.107 7.256 1.00 1.00 N ATOM 914 CA SER A 63 10.209 -2.347 6.936 1.00 1.00 C ATOM 915 C SER A 63 9.030 -2.067 6.001 1.00 1.00 C ATOM 916 O SER A 63 8.316 -1.081 6.175 1.00 1.00 O ATOM 917 CB SER A 63 9.724 -3.053 8.204 1.00 1.00 C ATOM 918 OG SER A 63 9.592 -4.459 8.015 1.00 1.00 O ATOM 0 H SER A 63 10.279 -0.332 7.504 1.00 1.00 H new ATOM 0 HA SER A 63 10.916 -3.007 6.433 1.00 1.00 H new ATOM 0 HB2 SER A 63 10.425 -2.861 9.017 1.00 1.00 H new ATOM 0 HB3 SER A 63 8.763 -2.636 8.506 1.00 1.00 H new ATOM 0 HG SER A 63 10.220 -4.928 8.603 1.00 1.00 H new ATOM 924 N LEU A 64 8.863 -2.953 5.030 1.00 1.00 N ATOM 925 CA LEU A 64 7.783 -2.813 4.067 1.00 1.00 C ATOM 926 C LEU A 64 6.621 -3.721 4.475 1.00 1.00 C ATOM 927 O LEU A 64 5.937 -4.318 3.647 1.00 1.00 O ATOM 928 CB LEU A 64 8.294 -3.068 2.648 1.00 1.00 C ATOM 929 CG LEU A 64 7.291 -2.821 1.519 1.00 1.00 C ATOM 930 CD1 LEU A 64 6.872 -1.351 1.471 1.00 1.00 C ATOM 931 CD2 LEU A 64 7.845 -3.304 0.178 1.00 1.00 C ATOM 0 H LEU A 64 9.457 -3.770 4.889 1.00 1.00 H new ATOM 0 HA LEU A 64 7.404 -1.791 4.065 1.00 1.00 H new ATOM 0 HB2 LEU A 64 9.165 -2.436 2.478 1.00 1.00 H new ATOM 0 HB3 LEU A 64 8.634 -4.102 2.586 1.00 1.00 H new ATOM 0 HG LEU A 64 6.394 -3.405 1.725 1.00 1.00 H new ATOM 0 HD11 LEU A 64 6.159 -1.202 0.660 1.00 1.00 H new ATOM 0 HD12 LEU A 64 6.408 -1.074 2.418 1.00 1.00 H new ATOM 0 HD13 LEU A 64 7.750 -0.728 1.301 1.00 1.00 H new ATOM 0 HD21 LEU A 64 7.112 -3.117 -0.607 1.00 1.00 H new ATOM 0 HD22 LEU A 64 8.766 -2.767 -0.050 1.00 1.00 H new ATOM 0 HD23 LEU A 64 8.052 -4.373 0.234 1.00 1.00 H new ATOM 943 N TYR A 65 6.412 -3.812 5.791 1.00 1.00 N ATOM 944 CA TYR A 65 5.351 -4.633 6.339 1.00 1.00 C ATOM 945 C TYR A 65 4.532 -3.823 7.333 1.00 1.00 C ATOM 946 O TYR A 65 3.322 -4.008 7.442 1.00 1.00 O ATOM 947 CB TYR A 65 5.957 -5.862 7.012 1.00 1.00 C ATOM 948 CG TYR A 65 5.085 -6.446 8.097 1.00 1.00 C ATOM 949 CD1 TYR A 65 4.109 -7.396 7.776 1.00 1.00 C ATOM 950 CD2 TYR A 65 5.253 -6.037 9.426 1.00 1.00 C ATOM 951 CE1 TYR A 65 3.300 -7.938 8.783 1.00 1.00 C ATOM 952 CE2 TYR A 65 4.445 -6.578 10.432 1.00 1.00 C ATOM 953 CZ TYR A 65 3.468 -7.529 10.111 1.00 1.00 C ATOM 954 OH TYR A 65 2.680 -8.055 11.092 1.00 1.00 O ATOM 0 H TYR A 65 6.970 -3.323 6.491 1.00 1.00 H new ATOM 0 HA TYR A 65 4.690 -4.962 5.537 1.00 1.00 H new ATOM 0 HB2 TYR A 65 6.143 -6.625 6.256 1.00 1.00 H new ATOM 0 HB3 TYR A 65 6.923 -5.593 7.439 1.00 1.00 H new ATOM 0 HD1 TYR A 65 3.979 -7.712 6.751 1.00 1.00 H new ATOM 0 HD2 TYR A 65 6.006 -5.304 9.674 1.00 1.00 H new ATOM 0 HE1 TYR A 65 2.547 -8.671 8.535 1.00 1.00 H new ATOM 0 HE2 TYR A 65 4.575 -6.262 11.457 1.00 1.00 H new ATOM 0 HH TYR A 65 2.928 -7.664 11.956 1.00 1.00 H new ATOM 964 N TYR A 66 5.196 -2.921 8.060 1.00 1.00 N ATOM 965 CA TYR A 66 4.528 -2.090 9.041 1.00 1.00 C ATOM 966 C TYR A 66 3.993 -0.831 8.372 1.00 1.00 C ATOM 967 O TYR A 66 3.369 -0.017 9.051 1.00 1.00 O ATOM 968 CB TYR A 66 5.506 -1.736 10.157 1.00 1.00 C ATOM 969 CG TYR A 66 4.905 -0.860 11.230 1.00 1.00 C ATOM 970 CD1 TYR A 66 4.173 -1.437 12.275 1.00 1.00 C ATOM 971 CD2 TYR A 66 5.080 0.528 11.181 1.00 1.00 C ATOM 972 CE1 TYR A 66 3.616 -0.626 13.270 1.00 1.00 C ATOM 973 CE2 TYR A 66 4.523 1.339 12.177 1.00 1.00 C ATOM 974 CZ TYR A 66 3.791 0.762 13.222 1.00 1.00 C ATOM 975 OH TYR A 66 3.249 1.553 14.192 1.00 1.00 O ATOM 0 H TYR A 66 6.199 -2.754 7.981 1.00 1.00 H new ATOM 0 HA TYR A 66 3.687 -2.633 9.472 1.00 1.00 H new ATOM 0 HB2 TYR A 66 5.873 -2.656 10.613 1.00 1.00 H new ATOM 0 HB3 TYR A 66 6.369 -1.228 9.726 1.00 1.00 H new ATOM 0 HD1 TYR A 66 4.038 -2.508 12.313 1.00 1.00 H new ATOM 0 HD2 TYR A 66 5.645 0.973 10.375 1.00 1.00 H new ATOM 0 HE1 TYR A 66 3.051 -1.071 14.075 1.00 1.00 H new ATOM 0 HE2 TYR A 66 4.658 2.410 12.139 1.00 1.00 H new ATOM 0 HH TYR A 66 3.466 2.491 14.008 1.00 1.00 H new ATOM 985 N VAL A 67 4.243 -0.695 7.078 1.00 1.00 N ATOM 986 CA VAL A 67 3.777 0.469 6.344 1.00 1.00 C ATOM 987 C VAL A 67 2.839 0.019 5.223 1.00 1.00 C ATOM 988 O VAL A 67 2.397 0.833 4.414 1.00 1.00 O ATOM 989 CB VAL A 67 4.971 1.279 5.835 1.00 1.00 C ATOM 990 CG1 VAL A 67 5.927 1.625 6.979 1.00 1.00 C ATOM 991 CG2 VAL A 67 5.702 0.534 4.716 1.00 1.00 C ATOM 0 H VAL A 67 4.762 -1.372 6.519 1.00 1.00 H new ATOM 0 HA VAL A 67 3.208 1.129 6.998 1.00 1.00 H new ATOM 0 HB VAL A 67 4.590 2.213 5.422 1.00 1.00 H new ATOM 0 HG11 VAL A 67 6.767 2.201 6.590 1.00 1.00 H new ATOM 0 HG12 VAL A 67 5.399 2.215 7.729 1.00 1.00 H new ATOM 0 HG13 VAL A 67 6.297 0.706 7.434 1.00 1.00 H new ATOM 0 HG21 VAL A 67 6.546 1.132 4.372 1.00 1.00 H new ATOM 0 HG22 VAL A 67 6.064 -0.423 5.092 1.00 1.00 H new ATOM 0 HG23 VAL A 67 5.017 0.362 3.886 1.00 1.00 H new ATOM 1001 N VAL A 68 2.562 -1.277 5.211 1.00 1.00 N ATOM 1002 CA VAL A 68 1.684 -1.845 4.203 1.00 1.00 C ATOM 1003 C VAL A 68 0.334 -2.182 4.839 1.00 1.00 C ATOM 1004 O VAL A 68 -0.719 -1.922 4.259 1.00 1.00 O ATOM 1005 CB VAL A 68 2.354 -3.055 3.548 1.00 1.00 C ATOM 1006 CG1 VAL A 68 1.311 -4.067 3.070 1.00 1.00 C ATOM 1007 CG2 VAL A 68 3.265 -2.621 2.398 1.00 1.00 C ATOM 0 H VAL A 68 2.930 -1.950 5.884 1.00 1.00 H new ATOM 0 HA VAL A 68 1.498 -1.123 3.408 1.00 1.00 H new ATOM 0 HB VAL A 68 2.974 -3.543 4.300 1.00 1.00 H new ATOM 0 HG11 VAL A 68 1.814 -4.917 2.608 1.00 1.00 H new ATOM 0 HG12 VAL A 68 0.722 -4.411 3.920 1.00 1.00 H new ATOM 0 HG13 VAL A 68 0.653 -3.595 2.340 1.00 1.00 H new ATOM 0 HG21 VAL A 68 3.729 -3.500 1.950 1.00 1.00 H new ATOM 0 HG22 VAL A 68 2.676 -2.098 1.645 1.00 1.00 H new ATOM 0 HG23 VAL A 68 4.040 -1.956 2.779 1.00 1.00 H new ATOM 1017 N HIS A 69 0.404 -2.761 6.038 1.00 1.00 N ATOM 1018 CA HIS A 69 -0.777 -3.154 6.798 1.00 1.00 C ATOM 1019 C HIS A 69 -1.094 -2.082 7.858 1.00 1.00 C ATOM 1020 O HIS A 69 -1.947 -1.225 7.635 1.00 1.00 O ATOM 1021 CB HIS A 69 -0.555 -4.562 7.370 1.00 1.00 C ATOM 1022 CG HIS A 69 -0.087 -5.623 6.400 1.00 1.00 C ATOM 1023 ND1 HIS A 69 1.205 -5.838 6.137 1.00 1.00 N ATOM 1024 CD2 HIS A 69 -0.789 -6.525 5.637 1.00 1.00 C ATOM 1025 CE1 HIS A 69 1.305 -6.836 5.245 1.00 1.00 C ATOM 1026 NE2 HIS A 69 0.103 -7.296 4.902 1.00 1.00 N ATOM 0 H HIS A 69 1.285 -2.970 6.508 1.00 1.00 H new ATOM 0 HA HIS A 69 -1.660 -3.211 6.162 1.00 1.00 H new ATOM 0 HB2 HIS A 69 0.176 -4.491 8.175 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -1.490 -4.899 7.818 1.00 1.00 H new ATOM 0 HD1 HIS A 69 1.987 -5.327 6.547 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -1.865 -6.620 5.613 1.00 1.00 H new ATOM 0 HE1 HIS A 69 2.238 -7.216 4.856 1.00 1.00 H new ATOM 1034 N ALA A 70 -0.392 -2.169 8.979 1.00 1.00 N ATOM 1035 CA ALA A 70 -0.591 -1.220 10.061 1.00 1.00 C ATOM 1036 C ALA A 70 -1.872 -0.424 9.806 1.00 1.00 C ATOM 1037 O ALA A 70 -1.839 0.623 9.162 1.00 1.00 O ATOM 1038 CB ALA A 70 0.641 -0.320 10.183 1.00 1.00 C ATOM 0 H ALA A 70 0.315 -2.882 9.161 1.00 1.00 H new ATOM 0 HA ALA A 70 -0.710 -1.740 11.011 1.00 1.00 H new ATOM 0 HB1 ALA A 70 0.492 0.392 10.995 1.00 1.00 H new ATOM 0 HB2 ALA A 70 1.519 -0.931 10.393 1.00 1.00 H new ATOM 0 HB3 ALA A 70 0.790 0.221 9.249 1.00 1.00 H new ATOM 1044 N ARG A 71 -2.971 -0.950 10.326 1.00 1.00 N ATOM 1045 CA ARG A 71 -4.261 -0.301 10.163 1.00 1.00 C ATOM 1046 C ARG A 71 -4.520 0.663 11.323 1.00 1.00 C ATOM 1047 O ARG A 71 -5.670 0.915 11.680 1.00 1.00 O ATOM 1048 CB ARG A 71 -5.391 -1.331 10.103 1.00 1.00 C ATOM 1049 CG ARG A 71 -6.700 -0.682 9.646 1.00 1.00 C ATOM 1050 CD ARG A 71 -7.800 -0.871 10.692 1.00 1.00 C ATOM 1051 NE ARG A 71 -8.676 0.321 10.726 1.00 1.00 N ATOM 1052 CZ ARG A 71 -9.405 0.694 11.799 1.00 1.00 C ATOM 1053 NH1 ARG A 71 -9.369 -0.030 12.937 1.00 1.00 N ATOM 1054 NH2 ARG A 71 -10.154 1.778 11.718 1.00 1.00 N ATOM 0 H ARG A 71 -2.995 -1.818 10.861 1.00 1.00 H new ATOM 0 HA ARG A 71 -4.238 0.252 9.224 1.00 1.00 H new ATOM 0 HB2 ARG A 71 -5.120 -2.134 9.417 1.00 1.00 H new ATOM 0 HB3 ARG A 71 -5.528 -1.783 11.085 1.00 1.00 H new ATOM 0 HG2 ARG A 71 -6.540 0.382 9.469 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -7.015 -1.119 8.698 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -8.388 -1.758 10.457 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -7.356 -1.034 11.674 1.00 1.00 H new ATOM 0 HE ARG A 71 -8.733 0.897 9.886 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -8.788 -0.866 12.991 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -9.923 0.259 13.743 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -10.176 2.320 10.854 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -10.711 2.074 12.519 1.00 1.00 H new ATOM 1064 N GLY A 72 -3.432 1.175 11.879 1.00 1.00 N ATOM 1065 CA GLY A 72 -3.528 2.106 12.991 1.00 1.00 C ATOM 1066 C GLY A 72 -3.144 3.522 12.555 1.00 1.00 C ATOM 1067 O GLY A 72 -3.043 3.802 11.362 1.00 1.00 O ATOM 0 H GLY A 72 -2.480 0.963 11.581 1.00 1.00 H new ATOM 0 HA2 GLY A 72 -4.545 2.106 13.384 1.00 1.00 H new ATOM 0 HA3 GLY A 72 -2.874 1.781 13.800 1.00 1.00 H new ATOM 1071 N GLU A 73 -2.940 4.376 13.547 1.00 1.00 N ATOM 1072 CA GLU A 73 -2.569 5.756 13.281 1.00 1.00 C ATOM 1073 C GLU A 73 -1.082 5.848 12.931 1.00 1.00 C ATOM 1074 O GLU A 73 -0.228 5.790 13.815 1.00 1.00 O ATOM 1075 CB GLU A 73 -2.909 6.654 14.472 1.00 1.00 C ATOM 1076 CG GLU A 73 -4.357 7.141 14.396 1.00 1.00 C ATOM 1077 CD GLU A 73 -4.662 8.134 15.519 1.00 1.00 C ATOM 1078 OE1 GLU A 73 -4.704 9.350 15.276 1.00 1.00 O ATOM 1079 OE2 GLU A 73 -4.859 7.604 16.678 1.00 1.00 O ATOM 0 H GLU A 73 -3.024 4.140 14.536 1.00 1.00 H new ATOM 0 HA GLU A 73 -3.146 6.109 12.426 1.00 1.00 H new ATOM 0 HB2 GLU A 73 -2.754 6.106 15.401 1.00 1.00 H new ATOM 0 HB3 GLU A 73 -2.234 7.510 14.491 1.00 1.00 H new ATOM 0 HG2 GLU A 73 -4.535 7.613 13.430 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -5.035 6.290 14.464 1.00 1.00 H new ATOM 1087 N LEU A 74 -0.818 5.990 11.641 1.00 1.00 N ATOM 1088 CA LEU A 74 0.551 6.091 11.163 1.00 1.00 C ATOM 1089 C LEU A 74 0.811 7.516 10.671 1.00 1.00 C ATOM 1090 O LEU A 74 -0.124 8.239 10.330 1.00 1.00 O ATOM 1091 CB LEU A 74 0.832 5.016 10.112 1.00 1.00 C ATOM 1092 CG LEU A 74 0.615 3.569 10.558 1.00 1.00 C ATOM 1093 CD1 LEU A 74 0.832 2.598 9.395 1.00 1.00 C ATOM 1094 CD2 LEU A 74 1.497 3.228 11.761 1.00 1.00 C ATOM 0 H LEU A 74 -1.529 6.038 10.911 1.00 1.00 H new ATOM 0 HA LEU A 74 1.253 5.901 11.975 1.00 1.00 H new ATOM 0 HB2 LEU A 74 0.198 5.208 9.247 1.00 1.00 H new ATOM 0 HB3 LEU A 74 1.865 5.122 9.780 1.00 1.00 H new ATOM 0 HG LEU A 74 -0.422 3.462 10.878 1.00 1.00 H new ATOM 0 HD11 LEU A 74 0.672 1.576 9.739 1.00 1.00 H new ATOM 0 HD12 LEU A 74 0.128 2.826 8.595 1.00 1.00 H new ATOM 0 HD13 LEU A 74 1.851 2.699 9.022 1.00 1.00 H new ATOM 0 HD21 LEU A 74 1.323 2.194 12.058 1.00 1.00 H new ATOM 0 HD22 LEU A 74 2.545 3.357 11.492 1.00 1.00 H new ATOM 0 HD23 LEU A 74 1.252 3.890 12.591 1.00 1.00 H new ATOM 1106 N LYS A 75 2.086 7.877 10.649 1.00 1.00 N ATOM 1107 CA LYS A 75 2.481 9.202 10.204 1.00 1.00 C ATOM 1108 C LYS A 75 1.715 9.556 8.927 1.00 1.00 C ATOM 1109 O LYS A 75 1.421 10.724 8.679 1.00 1.00 O ATOM 1110 CB LYS A 75 4.001 9.286 10.053 1.00 1.00 C ATOM 1111 CG LYS A 75 4.636 9.970 11.265 1.00 1.00 C ATOM 1112 CD LYS A 75 4.981 8.949 12.352 1.00 1.00 C ATOM 1113 CE LYS A 75 5.192 9.637 13.702 1.00 1.00 C ATOM 1114 NZ LYS A 75 6.315 9.008 14.433 1.00 1.00 N ATOM 0 H LYS A 75 2.859 7.274 10.932 1.00 1.00 H new ATOM 0 HA LYS A 75 2.217 9.949 10.952 1.00 1.00 H new ATOM 0 HB2 LYS A 75 4.414 8.284 9.939 1.00 1.00 H new ATOM 0 HB3 LYS A 75 4.250 9.839 9.147 1.00 1.00 H new ATOM 0 HG2 LYS A 75 5.538 10.498 10.958 1.00 1.00 H new ATOM 0 HG3 LYS A 75 3.951 10.717 11.666 1.00 1.00 H new ATOM 0 HD2 LYS A 75 4.179 8.215 12.435 1.00 1.00 H new ATOM 0 HD3 LYS A 75 5.883 8.405 12.072 1.00 1.00 H new ATOM 0 HE2 LYS A 75 5.398 10.696 13.549 1.00 1.00 H new ATOM 0 HE3 LYS A 75 4.281 9.572 14.297 1.00 1.00 H new ATOM 0 HZ1 LYS A 75 6.445 9.486 15.347 1.00 1.00 H new ATOM 0 HZ2 LYS A 75 6.104 8.003 14.595 1.00 1.00 H new ATOM 0 HZ3 LYS A 75 7.186 9.092 13.871 1.00 1.00 H new ATOM 1127 N HIS A 76 1.414 8.525 8.151 1.00 1.00 N ATOM 1128 CA HIS A 76 0.689 8.713 6.906 1.00 1.00 C ATOM 1129 C HIS A 76 -0.597 7.884 6.932 1.00 1.00 C ATOM 1130 O HIS A 76 -1.244 7.768 7.972 1.00 1.00 O ATOM 1131 CB HIS A 76 1.579 8.389 5.705 1.00 1.00 C ATOM 1132 CG HIS A 76 2.946 9.028 5.762 1.00 1.00 C ATOM 1133 ND1 HIS A 76 3.316 10.341 5.775 1.00 1.00 N flip ATOM 1134 CD2 HIS A 76 4.116 8.292 5.814 1.00 1.00 C flip ATOM 1135 CE1 HIS A 76 4.640 10.403 5.833 1.00 1.00 C flip ATOM 1136 NE2 HIS A 76 5.138 9.134 5.857 1.00 1.00 N flip ATOM 0 H HIS A 76 1.659 7.557 8.360 1.00 1.00 H new ATOM 0 HA HIS A 76 0.404 9.760 6.801 1.00 1.00 H new ATOM 0 HB2 HIS A 76 1.698 7.308 5.635 1.00 1.00 H new ATOM 0 HB3 HIS A 76 1.075 8.714 4.795 1.00 1.00 H new ATOM 0 HD2 HIS A 76 4.185 7.214 5.819 1.00 1.00 H new ATOM 0 HE1 HIS A 76 5.227 11.309 5.857 1.00 1.00 H new ATOM 0 HE2 HIS A 76 6.124 8.878 5.900 1.00 1.00 H new ATOM 1144 N THR A 77 -0.929 7.329 5.776 1.00 1.00 N ATOM 1145 CA THR A 77 -2.126 6.515 5.653 1.00 1.00 C ATOM 1146 C THR A 77 -1.792 5.171 5.001 1.00 1.00 C ATOM 1147 O THR A 77 -1.576 5.100 3.792 1.00 1.00 O ATOM 1148 CB THR A 77 -3.170 7.323 4.879 1.00 1.00 C ATOM 1149 OG1 THR A 77 -3.240 8.561 5.580 1.00 1.00 O ATOM 1150 CG2 THR A 77 -4.578 6.739 5.012 1.00 1.00 C ATOM 0 H THR A 77 -0.390 7.427 4.916 1.00 1.00 H new ATOM 0 HA THR A 77 -2.542 6.272 6.631 1.00 1.00 H new ATOM 0 HB THR A 77 -2.891 7.362 3.826 1.00 1.00 H new ATOM 0 HG1 THR A 77 -3.893 9.147 5.144 1.00 1.00 H new ATOM 0 HG21 THR A 77 -5.280 7.349 4.444 1.00 1.00 H new ATOM 0 HG22 THR A 77 -4.587 5.720 4.625 1.00 1.00 H new ATOM 0 HG23 THR A 77 -4.871 6.731 6.062 1.00 1.00 H new ATOM 1158 N SER A 78 -1.760 4.139 5.831 1.00 1.00 N ATOM 1159 CA SER A 78 -1.456 2.802 5.351 1.00 1.00 C ATOM 1160 C SER A 78 -2.604 2.285 4.481 1.00 1.00 C ATOM 1161 O SER A 78 -3.690 2.862 4.472 1.00 1.00 O ATOM 1162 CB SER A 78 -1.199 1.843 6.515 1.00 1.00 C ATOM 1163 OG SER A 78 -1.321 2.493 7.778 1.00 1.00 O ATOM 0 H SER A 78 -1.940 4.202 6.833 1.00 1.00 H new ATOM 0 HA SER A 78 -0.547 2.853 4.751 1.00 1.00 H new ATOM 0 HB2 SER A 78 -1.904 1.014 6.464 1.00 1.00 H new ATOM 0 HB3 SER A 78 -0.200 1.418 6.421 1.00 1.00 H new ATOM 0 HG SER A 78 -1.809 1.913 8.399 1.00 1.00 H new ATOM 1169 N CYS A 79 -2.324 1.202 3.770 1.00 1.00 N ATOM 1170 CA CYS A 79 -3.320 0.601 2.899 1.00 1.00 C ATOM 1171 C CYS A 79 -4.497 0.140 3.761 1.00 1.00 C ATOM 1172 O CYS A 79 -5.600 0.673 3.648 1.00 1.00 O ATOM 1173 CB CYS A 79 -2.732 -0.547 2.076 1.00 1.00 C ATOM 1174 SG CYS A 79 -1.075 -0.216 1.373 1.00 1.00 S ATOM 0 H CYS A 79 -1.422 0.726 3.779 1.00 1.00 H new ATOM 0 HA CYS A 79 -3.668 1.339 2.176 1.00 1.00 H new ATOM 0 HB2 CYS A 79 -2.673 -1.434 2.706 1.00 1.00 H new ATOM 0 HB3 CYS A 79 -3.417 -0.780 1.261 1.00 1.00 H new ATOM 0 HG CYS A 79 -0.674 -1.253 0.699 1.00 1.00 H new ATOM 1179 N LEU A 80 -4.222 -0.845 4.603 1.00 1.00 N ATOM 1180 CA LEU A 80 -5.244 -1.384 5.484 1.00 1.00 C ATOM 1181 C LEU A 80 -5.970 -0.231 6.181 1.00 1.00 C ATOM 1182 O LEU A 80 -7.107 -0.387 6.625 1.00 1.00 O ATOM 1183 CB LEU A 80 -4.636 -2.401 6.452 1.00 1.00 C ATOM 1184 CG LEU A 80 -4.709 -3.866 6.017 1.00 1.00 C ATOM 1185 CD1 LEU A 80 -6.034 -4.500 6.443 1.00 1.00 C ATOM 1186 CD2 LEU A 80 -4.464 -4.005 4.513 1.00 1.00 C ATOM 0 H LEU A 80 -3.306 -1.284 4.694 1.00 1.00 H new ATOM 0 HA LEU A 80 -5.991 -1.932 4.910 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -3.589 -2.141 6.611 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -5.138 -2.303 7.414 1.00 1.00 H new ATOM 0 HG LEU A 80 -3.914 -4.412 6.524 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -6.059 -5.541 6.121 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -6.128 -4.453 7.528 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -6.861 -3.958 5.984 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -4.521 -5.056 4.231 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -5.220 -3.441 3.967 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -3.475 -3.617 4.268 1.00 1.00 H new ATOM 1198 N ALA A 81 -5.284 0.900 6.254 1.00 1.00 N ATOM 1199 CA ALA A 81 -5.849 2.078 6.889 1.00 1.00 C ATOM 1200 C ALA A 81 -7.073 2.542 6.096 1.00 1.00 C ATOM 1201 O ALA A 81 -8.203 2.425 6.567 1.00 1.00 O ATOM 1202 CB ALA A 81 -4.778 3.165 6.996 1.00 1.00 C ATOM 0 H ALA A 81 -4.342 1.025 5.884 1.00 1.00 H new ATOM 0 HA ALA A 81 -6.180 1.846 7.901 1.00 1.00 H new ATOM 0 HB1 ALA A 81 -5.203 4.049 7.473 1.00 1.00 H new ATOM 0 HB2 ALA A 81 -3.944 2.796 7.593 1.00 1.00 H new ATOM 0 HB3 ALA A 81 -4.423 3.426 5.999 1.00 1.00 H new ATOM 1208 N CYS A 82 -6.805 3.059 4.905 1.00 1.00 N ATOM 1209 CA CYS A 82 -7.870 3.541 4.043 1.00 1.00 C ATOM 1210 C CYS A 82 -8.901 2.422 3.881 1.00 1.00 C ATOM 1211 O CYS A 82 -10.056 2.567 4.276 1.00 1.00 O ATOM 1212 CB CYS A 82 -7.332 4.020 2.693 1.00 1.00 C ATOM 1213 SG CYS A 82 -8.715 4.562 1.624 1.00 1.00 S ATOM 0 H CYS A 82 -5.866 3.154 4.518 1.00 1.00 H new ATOM 0 HA CYS A 82 -8.346 4.409 4.500 1.00 1.00 H new ATOM 0 HB2 CYS A 82 -6.633 4.843 2.842 1.00 1.00 H new ATOM 0 HB3 CYS A 82 -6.779 3.216 2.207 1.00 1.00 H new ATOM 0 HG CYS A 82 -8.247 4.968 0.481 1.00 1.00 H new ATOM 1218 N HIS A 83 -8.445 1.316 3.292 1.00 1.00 N ATOM 1219 CA HIS A 83 -9.280 0.145 3.051 1.00 1.00 C ATOM 1220 C HIS A 83 -10.236 -0.066 4.240 1.00 1.00 C ATOM 1221 O HIS A 83 -11.332 -0.595 4.066 1.00 1.00 O ATOM 1222 CB HIS A 83 -8.374 -1.058 2.748 1.00 1.00 C ATOM 1223 CG HIS A 83 -7.868 -1.186 1.330 1.00 1.00 C ATOM 1224 ND1 HIS A 83 -7.619 -2.368 0.759 1.00 1.00 N ATOM 1225 CD2 HIS A 83 -7.571 -0.235 0.384 1.00 1.00 C ATOM 1226 CE1 HIS A 83 -7.184 -2.162 -0.494 1.00 1.00 C ATOM 1227 NE2 HIS A 83 -7.135 -0.862 -0.777 1.00 1.00 N ATOM 0 H HIS A 83 -7.483 1.210 2.969 1.00 1.00 H new ATOM 0 HA HIS A 83 -9.919 0.283 2.179 1.00 1.00 H new ATOM 0 HB2 HIS A 83 -7.512 -1.011 3.414 1.00 1.00 H new ATOM 0 HB3 HIS A 83 -8.921 -1.967 2.998 1.00 1.00 H new ATOM 0 HD1 HIS A 83 -7.740 -3.278 1.203 1.00 1.00 H new ATOM 0 HD2 HIS A 83 -7.662 0.832 0.521 1.00 1.00 H new ATOM 0 HE1 HIS A 83 -6.910 -2.948 -1.182 1.00 1.00 H new ATOM 1235 N SER A 84 -9.785 0.358 5.412 1.00 1.00 N ATOM 1236 CA SER A 84 -10.586 0.222 6.616 1.00 1.00 C ATOM 1237 C SER A 84 -11.923 0.945 6.440 1.00 1.00 C ATOM 1238 O SER A 84 -12.983 0.363 6.666 1.00 1.00 O ATOM 1239 CB SER A 84 -9.844 0.768 7.837 1.00 1.00 C ATOM 1240 OG SER A 84 -10.120 2.149 8.056 1.00 1.00 O ATOM 0 H SER A 84 -8.875 0.796 5.553 1.00 1.00 H new ATOM 0 HA SER A 84 -10.773 -0.839 6.783 1.00 1.00 H new ATOM 0 HB2 SER A 84 -10.130 0.197 8.720 1.00 1.00 H new ATOM 0 HB3 SER A 84 -8.771 0.630 7.701 1.00 1.00 H new ATOM 0 HG SER A 84 -9.456 2.694 7.584 1.00 1.00 H new ATOM 1246 N LYS A 85 -11.829 2.204 6.039 1.00 1.00 N ATOM 1247 CA LYS A 85 -13.018 3.013 5.830 1.00 1.00 C ATOM 1248 C LYS A 85 -13.813 2.449 4.651 1.00 1.00 C ATOM 1249 O LYS A 85 -15.043 2.457 4.667 1.00 1.00 O ATOM 1250 CB LYS A 85 -12.641 4.487 5.668 1.00 1.00 C ATOM 1251 CG LYS A 85 -11.654 4.677 4.515 1.00 1.00 C ATOM 1252 CD LYS A 85 -11.848 6.040 3.846 1.00 1.00 C ATOM 1253 CE LYS A 85 -10.646 6.951 4.100 1.00 1.00 C ATOM 1254 NZ LYS A 85 -10.352 7.768 2.901 1.00 1.00 N ATOM 0 H LYS A 85 -10.948 2.684 5.853 1.00 1.00 H new ATOM 0 HA LYS A 85 -13.668 2.968 6.704 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -13.539 5.077 5.484 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -12.200 4.857 6.594 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -10.633 4.593 4.888 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -11.791 3.884 3.780 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -11.987 5.906 2.773 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -12.753 6.511 4.228 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -10.849 7.602 4.950 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -9.775 6.350 4.360 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -9.533 8.381 3.091 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -10.138 7.142 2.099 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -11.178 8.356 2.670 1.00 1.00 H new ATOM 1267 N VAL A 86 -13.079 1.972 3.657 1.00 1.00 N ATOM 1268 CA VAL A 86 -13.700 1.405 2.472 1.00 1.00 C ATOM 1269 C VAL A 86 -14.685 0.311 2.892 1.00 1.00 C ATOM 1270 O VAL A 86 -15.772 0.201 2.329 1.00 1.00 O ATOM 1271 CB VAL A 86 -12.625 0.902 1.507 1.00 1.00 C ATOM 1272 CG1 VAL A 86 -13.245 0.083 0.373 1.00 1.00 C ATOM 1273 CG2 VAL A 86 -11.797 2.064 0.955 1.00 1.00 C ATOM 0 H VAL A 86 -12.059 1.966 3.648 1.00 1.00 H new ATOM 0 HA VAL A 86 -14.267 2.167 1.937 1.00 1.00 H new ATOM 0 HB VAL A 86 -11.955 0.248 2.064 1.00 1.00 H new ATOM 0 HG11 VAL A 86 -12.459 -0.262 -0.298 1.00 1.00 H new ATOM 0 HG12 VAL A 86 -13.770 -0.777 0.790 1.00 1.00 H new ATOM 0 HG13 VAL A 86 -13.949 0.704 -0.181 1.00 1.00 H new ATOM 0 HG21 VAL A 86 -11.040 1.679 0.272 1.00 1.00 H new ATOM 0 HG22 VAL A 86 -12.450 2.755 0.421 1.00 1.00 H new ATOM 0 HG23 VAL A 86 -11.310 2.587 1.778 1.00 1.00 H new ATOM 1283 N VAL A 87 -14.268 -0.469 3.878 1.00 1.00 N ATOM 1284 CA VAL A 87 -15.099 -1.550 4.380 1.00 1.00 C ATOM 1285 C VAL A 87 -16.464 -0.990 4.787 1.00 1.00 C ATOM 1286 O VAL A 87 -17.468 -1.699 4.741 1.00 1.00 O ATOM 1287 CB VAL A 87 -14.384 -2.273 5.523 1.00 1.00 C ATOM 1288 CG1 VAL A 87 -15.358 -3.152 6.310 1.00 1.00 C ATOM 1289 CG2 VAL A 87 -13.204 -3.094 5.000 1.00 1.00 C ATOM 0 H VAL A 87 -13.365 -0.374 4.343 1.00 1.00 H new ATOM 0 HA VAL A 87 -15.271 -2.293 3.601 1.00 1.00 H new ATOM 0 HB VAL A 87 -13.990 -1.517 6.203 1.00 1.00 H new ATOM 0 HG11 VAL A 87 -14.824 -3.655 7.117 1.00 1.00 H new ATOM 0 HG12 VAL A 87 -16.150 -2.532 6.730 1.00 1.00 H new ATOM 0 HG13 VAL A 87 -15.795 -3.897 5.645 1.00 1.00 H new ATOM 0 HG21 VAL A 87 -12.713 -3.598 5.833 1.00 1.00 H new ATOM 0 HG22 VAL A 87 -13.565 -3.837 4.288 1.00 1.00 H new ATOM 0 HG23 VAL A 87 -12.492 -2.433 4.505 1.00 1.00 H new ATOM 1299 N ALA A 88 -16.456 0.276 5.177 1.00 1.00 N ATOM 1300 CA ALA A 88 -17.681 0.938 5.593 1.00 1.00 C ATOM 1301 C ALA A 88 -18.381 1.523 4.364 1.00 1.00 C ATOM 1302 O ALA A 88 -19.302 2.328 4.495 1.00 1.00 O ATOM 1303 CB ALA A 88 -17.355 2.004 6.641 1.00 1.00 C ATOM 0 H ALA A 88 -15.621 0.861 5.214 1.00 1.00 H new ATOM 0 HA ALA A 88 -18.365 0.226 6.055 1.00 1.00 H new ATOM 0 HB1 ALA A 88 -18.274 2.501 6.953 1.00 1.00 H new ATOM 0 HB2 ALA A 88 -16.886 1.533 7.505 1.00 1.00 H new ATOM 0 HB3 ALA A 88 -16.673 2.739 6.213 1.00 1.00 H new ATOM 1437 N ASP A 96 -11.829 -8.906 1.151 1.00 1.00 N ATOM 1438 CA ASP A 96 -11.488 -8.539 -0.213 1.00 1.00 C ATOM 1439 C ASP A 96 -10.497 -7.374 -0.190 1.00 1.00 C ATOM 1440 O ASP A 96 -9.567 -7.329 -0.995 1.00 1.00 O ATOM 1441 CB ASP A 96 -12.727 -8.091 -0.989 1.00 1.00 C ATOM 1442 CG ASP A 96 -13.375 -9.174 -1.854 1.00 1.00 C ATOM 1443 OD1 ASP A 96 -12.899 -10.318 -1.909 1.00 1.00 O ATOM 1444 OD2 ASP A 96 -14.428 -8.799 -2.499 1.00 1.00 O ATOM 0 HA ASP A 96 -11.055 -9.413 -0.699 1.00 1.00 H new ATOM 0 HB2 ASP A 96 -13.468 -7.722 -0.280 1.00 1.00 H new ATOM 0 HB3 ASP A 96 -12.453 -7.252 -1.629 1.00 1.00 H new ATOM 1450 N LEU A 97 -10.729 -6.460 0.740 1.00 1.00 N ATOM 1451 CA LEU A 97 -9.868 -5.297 0.878 1.00 1.00 C ATOM 1452 C LEU A 97 -9.118 -5.378 2.210 1.00 1.00 C ATOM 1453 O LEU A 97 -8.182 -4.617 2.446 1.00 1.00 O ATOM 1454 CB LEU A 97 -10.675 -4.009 0.704 1.00 1.00 C ATOM 1455 CG LEU A 97 -11.462 -3.882 -0.602 1.00 1.00 C ATOM 1456 CD1 LEU A 97 -11.944 -2.445 -0.813 1.00 1.00 C ATOM 1457 CD2 LEU A 97 -10.641 -4.391 -1.788 1.00 1.00 C ATOM 0 H LEU A 97 -11.501 -6.501 1.406 1.00 1.00 H new ATOM 0 HA LEU A 97 -9.116 -5.284 0.089 1.00 1.00 H new ATOM 0 HB2 LEU A 97 -11.374 -3.927 1.536 1.00 1.00 H new ATOM 0 HB3 LEU A 97 -9.992 -3.163 0.777 1.00 1.00 H new ATOM 0 HG LEU A 97 -12.348 -4.512 -0.530 1.00 1.00 H new ATOM 0 HD11 LEU A 97 -12.501 -2.382 -1.748 1.00 1.00 H new ATOM 0 HD12 LEU A 97 -12.590 -2.153 0.015 1.00 1.00 H new ATOM 0 HD13 LEU A 97 -11.085 -1.776 -0.856 1.00 1.00 H new ATOM 0 HD21 LEU A 97 -11.223 -4.290 -2.704 1.00 1.00 H new ATOM 0 HD22 LEU A 97 -9.725 -3.807 -1.874 1.00 1.00 H new ATOM 0 HD23 LEU A 97 -10.389 -5.440 -1.633 1.00 1.00 H new ATOM 1469 N THR A 98 -9.559 -6.308 3.045 1.00 1.00 N ATOM 1470 CA THR A 98 -8.941 -6.498 4.346 1.00 1.00 C ATOM 1471 C THR A 98 -8.930 -7.982 4.719 1.00 1.00 C ATOM 1472 O THR A 98 -9.182 -8.339 5.869 1.00 1.00 O ATOM 1473 CB THR A 98 -9.687 -5.624 5.356 1.00 1.00 C ATOM 1474 OG1 THR A 98 -10.855 -6.377 5.672 1.00 1.00 O ATOM 1475 CG2 THR A 98 -10.232 -4.339 4.728 1.00 1.00 C ATOM 0 H THR A 98 -10.336 -6.938 2.846 1.00 1.00 H new ATOM 0 HA THR A 98 -7.896 -6.189 4.336 1.00 1.00 H new ATOM 0 HB THR A 98 -9.019 -5.372 6.180 1.00 1.00 H new ATOM 0 HG1 THR A 98 -10.600 -7.184 6.166 1.00 1.00 H new ATOM 0 HG21 THR A 98 -10.752 -3.755 5.487 1.00 1.00 H new ATOM 0 HG22 THR A 98 -9.407 -3.754 4.323 1.00 1.00 H new ATOM 0 HG23 THR A 98 -10.926 -4.592 3.926 1.00 1.00 H new ATOM 1483 N GLY A 99 -8.635 -8.807 3.725 1.00 1.00 N ATOM 1484 CA GLY A 99 -8.587 -10.244 3.934 1.00 1.00 C ATOM 1485 C GLY A 99 -7.142 -10.748 3.949 1.00 1.00 C ATOM 1486 O GLY A 99 -6.372 -10.465 3.033 1.00 1.00 O ATOM 0 H GLY A 99 -8.427 -8.507 2.772 1.00 1.00 H new ATOM 0 HA2 GLY A 99 -9.073 -10.494 4.877 1.00 1.00 H new ATOM 0 HA3 GLY A 99 -9.144 -10.749 3.145 1.00 1.00 H new ATOM 1490 N CYS A 100 -6.818 -11.486 5.001 1.00 1.00 N ATOM 1491 CA CYS A 100 -5.480 -12.032 5.148 1.00 1.00 C ATOM 1492 C CYS A 100 -5.291 -13.130 4.099 1.00 1.00 C ATOM 1493 O CYS A 100 -4.182 -13.342 3.609 1.00 1.00 O ATOM 1494 CB CYS A 100 -5.233 -12.550 6.566 1.00 1.00 C ATOM 1495 SG CYS A 100 -5.377 -11.285 7.881 1.00 1.00 S ATOM 0 H CYS A 100 -7.459 -11.718 5.759 1.00 1.00 H new ATOM 0 HA CYS A 100 -4.744 -11.245 4.986 1.00 1.00 H new ATOM 0 HB2 CYS A 100 -5.942 -13.352 6.773 1.00 1.00 H new ATOM 0 HB3 CYS A 100 -4.235 -12.987 6.609 1.00 1.00 H new ATOM 0 HG CYS A 100 -5.151 -11.834 9.038 1.00 1.00 H new ATOM 1500 N ALA A 101 -6.391 -13.800 3.785 1.00 1.00 N ATOM 1501 CA ALA A 101 -6.360 -14.870 2.803 1.00 1.00 C ATOM 1502 C ALA A 101 -7.622 -14.801 1.940 1.00 1.00 C ATOM 1503 O ALA A 101 -8.518 -14.002 2.208 1.00 1.00 O ATOM 1504 CB ALA A 101 -6.216 -16.215 3.518 1.00 1.00 C ATOM 0 H ALA A 101 -7.309 -13.622 4.193 1.00 1.00 H new ATOM 0 HA ALA A 101 -5.501 -14.759 2.141 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -6.193 -17.018 2.781 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -5.290 -16.224 4.094 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -7.062 -16.363 4.189 1.00 1.00 H new ATOM 1510 N LYS A 102 -7.651 -15.649 0.922 1.00 1.00 N ATOM 1511 CA LYS A 102 -8.788 -15.694 0.019 1.00 1.00 C ATOM 1512 C LYS A 102 -9.169 -14.269 -0.387 1.00 1.00 C ATOM 1513 O LYS A 102 -10.339 -13.981 -0.631 1.00 1.00 O ATOM 1514 CB LYS A 102 -9.939 -16.484 0.645 1.00 1.00 C ATOM 1515 CG LYS A 102 -10.540 -15.728 1.832 1.00 1.00 C ATOM 1516 CD LYS A 102 -11.854 -16.370 2.282 1.00 1.00 C ATOM 1517 CE LYS A 102 -11.622 -17.340 3.442 1.00 1.00 C ATOM 1518 NZ LYS A 102 -11.881 -18.732 3.013 1.00 1.00 N ATOM 0 H LYS A 102 -6.906 -16.310 0.703 1.00 1.00 H new ATOM 0 HA LYS A 102 -8.527 -16.227 -0.895 1.00 1.00 H new ATOM 0 HB2 LYS A 102 -10.710 -16.665 -0.104 1.00 1.00 H new ATOM 0 HB3 LYS A 102 -9.579 -17.459 0.974 1.00 1.00 H new ATOM 0 HG2 LYS A 102 -9.832 -15.722 2.660 1.00 1.00 H new ATOM 0 HG3 LYS A 102 -10.715 -14.688 1.555 1.00 1.00 H new ATOM 0 HD2 LYS A 102 -12.556 -15.594 2.587 1.00 1.00 H new ATOM 0 HD3 LYS A 102 -12.309 -16.900 1.445 1.00 1.00 H new ATOM 0 HE2 LYS A 102 -10.597 -17.249 3.801 1.00 1.00 H new ATOM 0 HE3 LYS A 102 -12.276 -17.082 4.275 1.00 1.00 H new ATOM 0 HZ1 LYS A 102 -11.719 -19.377 3.812 1.00 1.00 H new ATOM 0 HZ2 LYS A 102 -12.866 -18.819 2.692 1.00 1.00 H new ATOM 0 HZ3 LYS A 102 -11.240 -18.980 2.232 1.00 1.00 H new ATOM 1531 N SER A 103 -8.158 -13.414 -0.445 1.00 1.00 N ATOM 1532 CA SER A 103 -8.372 -12.026 -0.817 1.00 1.00 C ATOM 1533 C SER A 103 -7.670 -11.725 -2.143 1.00 1.00 C ATOM 1534 O SER A 103 -7.039 -12.603 -2.729 1.00 1.00 O ATOM 1535 CB SER A 103 -7.871 -11.080 0.276 1.00 1.00 C ATOM 1536 OG SER A 103 -8.127 -9.715 -0.041 1.00 1.00 O ATOM 0 H SER A 103 -7.188 -13.656 -0.241 1.00 1.00 H new ATOM 0 HA SER A 103 -9.443 -11.865 -0.936 1.00 1.00 H new ATOM 0 HB2 SER A 103 -8.354 -11.329 1.221 1.00 1.00 H new ATOM 0 HB3 SER A 103 -6.800 -11.225 0.418 1.00 1.00 H new ATOM 0 HG SER A 103 -7.794 -9.143 0.682 1.00 1.00 H new ATOM 1542 N LYS A 104 -7.804 -10.480 -2.577 1.00 1.00 N ATOM 1543 CA LYS A 104 -7.191 -10.053 -3.823 1.00 1.00 C ATOM 1544 C LYS A 104 -5.748 -9.619 -3.554 1.00 1.00 C ATOM 1545 O LYS A 104 -5.017 -9.275 -4.481 1.00 1.00 O ATOM 1546 CB LYS A 104 -8.042 -8.974 -4.496 1.00 1.00 C ATOM 1547 CG LYS A 104 -8.154 -7.732 -3.610 1.00 1.00 C ATOM 1548 CD LYS A 104 -6.969 -6.790 -3.832 1.00 1.00 C ATOM 1549 CE LYS A 104 -6.571 -6.093 -2.530 1.00 1.00 C ATOM 1550 NZ LYS A 104 -6.507 -7.067 -1.418 1.00 1.00 N ATOM 0 H LYS A 104 -8.328 -9.754 -2.088 1.00 1.00 H new ATOM 0 HA LYS A 104 -7.149 -10.881 -4.530 1.00 1.00 H new ATOM 0 HB2 LYS A 104 -7.600 -8.703 -5.455 1.00 1.00 H new ATOM 0 HB3 LYS A 104 -9.037 -9.368 -4.704 1.00 1.00 H new ATOM 0 HG2 LYS A 104 -9.085 -7.208 -3.828 1.00 1.00 H new ATOM 0 HG3 LYS A 104 -8.194 -8.031 -2.563 1.00 1.00 H new ATOM 0 HD2 LYS A 104 -6.121 -7.353 -4.221 1.00 1.00 H new ATOM 0 HD3 LYS A 104 -7.229 -6.044 -4.583 1.00 1.00 H new ATOM 0 HE2 LYS A 104 -5.603 -5.608 -2.652 1.00 1.00 H new ATOM 0 HE3 LYS A 104 -7.292 -5.311 -2.295 1.00 1.00 H new ATOM 0 HZ1 LYS A 104 -5.678 -6.862 -0.824 1.00 1.00 H new ATOM 0 HZ2 LYS A 104 -7.371 -6.995 -0.843 1.00 1.00 H new ATOM 0 HZ3 LYS A 104 -6.427 -8.029 -1.804 1.00 1.00 H new ATOM 1563 N CYS A 105 -5.382 -9.651 -2.281 1.00 1.00 N ATOM 1564 CA CYS A 105 -4.041 -9.266 -1.878 1.00 1.00 C ATOM 1565 C CYS A 105 -3.247 -10.538 -1.573 1.00 1.00 C ATOM 1566 O CYS A 105 -2.065 -10.636 -1.896 1.00 1.00 O ATOM 1567 CB CYS A 105 -4.061 -8.306 -0.687 1.00 1.00 C ATOM 1568 SG CYS A 105 -3.670 -6.607 -1.245 1.00 1.00 S ATOM 0 H CYS A 105 -5.992 -9.938 -1.515 1.00 1.00 H new ATOM 0 HA CYS A 105 -3.557 -8.723 -2.690 1.00 1.00 H new ATOM 0 HB2 CYS A 105 -5.041 -8.325 -0.211 1.00 1.00 H new ATOM 0 HB3 CYS A 105 -3.337 -8.627 0.062 1.00 1.00 H new ATOM 0 HG CYS A 105 -3.692 -5.800 -0.226 1.00 1.00 H new ATOM 1573 N HIS A 106 -3.934 -11.493 -0.945 1.00 1.00 N ATOM 1574 CA HIS A 106 -3.346 -12.775 -0.572 1.00 1.00 C ATOM 1575 C HIS A 106 -4.255 -13.923 -1.048 1.00 1.00 C ATOM 1576 O HIS A 106 -4.615 -14.820 -0.289 1.00 1.00 O ATOM 1577 CB HIS A 106 -3.069 -12.773 0.939 1.00 1.00 C ATOM 1578 CG HIS A 106 -2.016 -11.809 1.436 1.00 1.00 C ATOM 1579 ND1 HIS A 106 -0.770 -11.793 0.952 1.00 1.00 N ATOM 1580 CD2 HIS A 106 -2.067 -10.826 2.394 1.00 1.00 C ATOM 1581 CE1 HIS A 106 -0.072 -10.837 1.584 1.00 1.00 C ATOM 1582 NE2 HIS A 106 -0.825 -10.208 2.485 1.00 1.00 N ATOM 0 H HIS A 106 -4.915 -11.397 -0.681 1.00 1.00 H new ATOM 0 HA HIS A 106 -2.387 -12.934 -1.066 1.00 1.00 H new ATOM 0 HB2 HIS A 106 -4.003 -12.552 1.456 1.00 1.00 H new ATOM 0 HB3 HIS A 106 -2.773 -13.780 1.232 1.00 1.00 H new ATOM 0 HD2 HIS A 106 -2.936 -10.573 2.984 1.00 1.00 H new ATOM 0 HE1 HIS A 106 0.965 -10.607 1.388 1.00 1.00 H new ATOM 0 HE2 HIS A 106 -0.552 -9.444 3.103 1.00 1.00 H new ATOM 1590 N PRO A 107 -4.617 -13.870 -2.331 1.00 1.00 N ATOM 1591 CA PRO A 107 -5.464 -14.847 -2.981 1.00 1.00 C ATOM 1592 C PRO A 107 -4.806 -16.218 -2.914 1.00 1.00 C ATOM 1593 O PRO A 107 -3.800 -16.393 -2.229 1.00 1.00 O ATOM 1594 CB PRO A 107 -5.579 -14.366 -4.426 1.00 1.00 C ATOM 1595 CG PRO A 107 -4.379 -13.444 -4.640 1.00 1.00 C ATOM 1596 CD PRO A 107 -4.213 -12.829 -3.252 1.00 1.00 C ATOM 0 HA PRO A 107 -6.443 -14.940 -2.510 1.00 1.00 H new ATOM 0 HB2 PRO A 107 -5.560 -15.204 -5.122 1.00 1.00 H new ATOM 0 HB3 PRO A 107 -6.517 -13.836 -4.591 1.00 1.00 H new ATOM 0 HG2 PRO A 107 -3.491 -13.993 -4.954 1.00 1.00 H new ATOM 0 HG3 PRO A 107 -4.573 -12.689 -5.402 1.00 1.00 H new ATOM 0 HD2 PRO A 107 -3.181 -12.525 -3.076 1.00 1.00 H new ATOM 0 HD3 PRO A 107 -4.832 -11.939 -3.138 1.00 1.00 H new