USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 614 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 37 THR OG1 : rot -170:sc= 0.746 USER MOD Set 1.2: A 40 THR OG1 : rot 78:sc= 1.91 USER MOD Set 1.3: A 41 ASN : amide:sc= -2.04! C(o=0.61!,f=-3.9!) USER MOD Set 2.1: A 23 GLN : amide:sc= -1.78 K(o=-4.3,f=-16!) USER MOD Set 2.2: A 33 HIS : +bothHN:sc= -2.54 K(o=-4.3,f=-9.9!) USER MOD Set 3.1: A 16 THR OG1 : rot 124:sc= 0.437 USER MOD Set 3.2: A 18 THR OG1 : rot -153:sc= 1.86 USER MOD Set 3.3: A 20 THR OG1 : rot 65:sc= 1.13 USER MOD Set 3.4: A 67 ASN : amide:sc= -0.0132 K(o=3.4,f=-7.3!) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.118 K(o=-0.12,f=-1.2) USER MOD Single : A 7 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0632) USER MOD Single : A 9 TYR OH : rot -130:sc= -0.643 USER MOD Single : A -3 ASN :FLIP amide:sc= -0.862 F(o=-1.7,f=-0.86) USER MOD Single : A -4 SER N :NH3+ -124:sc= 0.115 (180deg=0) USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0292) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -1.12 K(o=-1.1,f=-8.8!) USER MOD Single : A 31 HIS : no HD1:sc= -5.4! X(o=-5.4!,f=-5.6) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -146:sc= -0.0389 (180deg=-0.253) USER MOD Single : A 49 ASN : amide:sc= 1.13 K(o=1.1,f=-3.4!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.238 K(o=0.24,f=-11!) USER MOD Single : A 64 TYR OH : rot 30:sc= -0.0988 USER MOD Single : A 65 THR OG1 : rot -90:sc= -0.35 USER MOD Single : A 66 THR OG1 : rot 160:sc= -0.13 USER MOD Single : A 70 LYS NZ :NH3+ -176:sc= 1.11 (180deg=1.1) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -157:sc= 1.23 USER MOD Single : A 79 GLN : amide:sc= -2.67 K(o=-2.7,f=-15!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -4 0.415 37.838 -0.571 1.00 0.00 N ATOM 2 CA SER A -4 1.458 36.803 -0.714 1.00 0.00 C ATOM 3 C SER A -4 0.848 35.513 -1.244 1.00 0.00 C ATOM 4 O SER A -4 -0.330 35.476 -1.595 1.00 0.00 O ATOM 5 CB SER A -4 2.122 36.560 0.644 1.00 0.00 C ATOM 6 OG SER A -4 2.721 37.747 1.136 1.00 0.00 O ATOM 0 H1 SER A -4 0.686 38.682 -1.115 1.00 0.00 H new ATOM 0 H2 SER A -4 -0.490 37.471 -0.929 1.00 0.00 H new ATOM 0 H3 SER A -4 0.313 38.091 0.432 1.00 0.00 H new ATOM 0 HA SER A -4 2.211 37.144 -1.425 1.00 0.00 H new ATOM 0 HB2 SER A -4 1.380 36.201 1.357 1.00 0.00 H new ATOM 0 HB3 SER A -4 2.877 35.780 0.549 1.00 0.00 H new ATOM 0 HG SER A -4 3.137 37.568 2.005 1.00 0.00 H new ATOM 14 N ASN A -3 1.652 34.459 -1.320 1.00 0.00 N ATOM 15 CA ASN A -3 1.142 33.147 -1.693 1.00 0.00 C ATOM 16 C ASN A -3 0.929 32.326 -0.429 1.00 0.00 C ATOM 17 O ASN A -3 0.317 31.259 -0.453 1.00 0.00 O ATOM 18 CB ASN A -3 2.116 32.432 -2.641 1.00 0.00 C ATOM 19 CG ASN A -3 1.585 31.092 -3.133 1.00 0.00 C ATOM 20 OD1 ASN A -3 2.480 30.147 -3.368 1.00 0.00 O flip ATOM 21 ND2 ASN A -3 0.379 30.910 -3.298 1.00 0.00 N flip ATOM 0 H ASN A -3 2.654 34.487 -1.129 1.00 0.00 H new ATOM 0 HA ASN A -3 0.195 33.264 -2.219 1.00 0.00 H new ATOM 0 HB2 ASN A -3 2.319 33.074 -3.498 1.00 0.00 H new ATOM 0 HB3 ASN A -3 3.065 32.275 -2.129 1.00 0.00 H new ATOM 0 HD21 ASN A -3 -0.281 31.663 -3.106 1.00 0.00 H new ATOM 0 HD22 ASN A -3 0.040 30.006 -3.627 1.00 0.00 H new ATOM 28 N ALA A -2 1.455 32.857 0.677 1.00 0.00 N ATOM 29 CA ALA A -2 1.368 32.223 1.990 1.00 0.00 C ATOM 30 C ALA A -2 2.148 30.920 2.007 1.00 0.00 C ATOM 31 O ALA A -2 2.053 30.137 2.951 1.00 0.00 O ATOM 32 CB ALA A -2 -0.083 32.005 2.396 1.00 0.00 C ATOM 0 H ALA A -2 1.956 33.745 0.684 1.00 0.00 H new ATOM 0 HA ALA A -2 1.817 32.893 2.724 1.00 0.00 H new ATOM 0 HB1 ALA A -2 -0.119 31.532 3.377 1.00 0.00 H new ATOM 0 HB2 ALA A -2 -0.597 32.965 2.437 1.00 0.00 H new ATOM 0 HB3 ALA A -2 -0.573 31.362 1.665 1.00 0.00 H new ATOM 38 N ASP A -1 2.951 30.720 0.971 1.00 0.00 N ATOM 39 CA ASP A -1 3.744 29.512 0.822 1.00 0.00 C ATOM 40 C ASP A -1 5.065 29.664 1.560 1.00 0.00 C ATOM 41 O ASP A -1 6.156 29.436 1.033 1.00 0.00 O ATOM 42 CB ASP A -1 3.961 29.211 -0.656 1.00 0.00 C ATOM 43 CG ASP A -1 4.699 27.912 -0.882 1.00 0.00 C ATOM 44 OD1 ASP A -1 4.434 26.933 -0.146 1.00 0.00 O ATOM 45 OD2 ASP A -1 5.534 27.859 -1.804 1.00 0.00 O ATOM 0 H ASP A -1 3.070 31.391 0.212 1.00 0.00 H new ATOM 0 HA ASP A -1 3.210 28.669 1.261 1.00 0.00 H new ATOM 0 HB2 ASP A -1 2.995 29.168 -1.160 1.00 0.00 H new ATOM 0 HB3 ASP A -1 4.522 30.027 -1.111 1.00 0.00 H new ATOM 50 N CYS A 1 4.929 30.079 2.794 1.00 0.00 N ATOM 51 CA CYS A 1 6.037 30.269 3.691 1.00 0.00 C ATOM 52 C CYS A 1 5.525 30.158 5.119 1.00 0.00 C ATOM 53 O CYS A 1 4.350 30.410 5.384 1.00 0.00 O ATOM 54 CB CYS A 1 6.715 31.621 3.437 1.00 0.00 C ATOM 55 SG CYS A 1 5.639 32.898 2.687 1.00 0.00 S ATOM 0 H CYS A 1 4.024 30.299 3.211 1.00 0.00 H new ATOM 0 HA CYS A 1 6.792 29.501 3.521 1.00 0.00 H new ATOM 0 HB2 CYS A 1 7.099 32.001 4.384 1.00 0.00 H new ATOM 0 HB3 CYS A 1 7.574 31.463 2.785 1.00 0.00 H new ATOM 60 N MET A 2 6.389 29.764 6.036 1.00 0.00 N ATOM 61 CA MET A 2 5.962 29.528 7.413 1.00 0.00 C ATOM 62 C MET A 2 6.249 30.711 8.320 1.00 0.00 C ATOM 63 O MET A 2 7.253 31.386 8.177 1.00 0.00 O ATOM 64 CB MET A 2 6.602 28.247 7.962 1.00 0.00 C ATOM 65 CG MET A 2 8.088 28.106 7.678 1.00 0.00 C ATOM 66 SD MET A 2 9.116 28.593 9.068 1.00 0.00 S ATOM 67 CE MET A 2 10.747 28.194 8.441 1.00 0.00 C ATOM 0 H MET A 2 7.381 29.601 5.861 1.00 0.00 H new ATOM 0 HA MET A 2 4.880 29.401 7.398 1.00 0.00 H new ATOM 0 HB2 MET A 2 6.448 28.214 9.040 1.00 0.00 H new ATOM 0 HB3 MET A 2 6.082 27.387 7.539 1.00 0.00 H new ATOM 0 HG2 MET A 2 8.306 27.070 7.417 1.00 0.00 H new ATOM 0 HG3 MET A 2 8.346 28.714 6.811 1.00 0.00 H new ATOM 0 HE1 MET A 2 11.496 28.441 9.193 1.00 0.00 H new ATOM 0 HE2 MET A 2 10.799 27.129 8.213 1.00 0.00 H new ATOM 0 HE3 MET A 2 10.939 28.769 7.535 1.00 0.00 H new ATOM 77 N PHE A 3 5.336 30.951 9.253 1.00 0.00 N ATOM 78 CA PHE A 3 5.430 32.069 10.169 1.00 0.00 C ATOM 79 C PHE A 3 5.911 31.540 11.499 1.00 0.00 C ATOM 80 O PHE A 3 5.149 30.892 12.219 1.00 0.00 O ATOM 81 CB PHE A 3 4.060 32.740 10.351 1.00 0.00 C ATOM 82 CG PHE A 3 3.438 33.257 9.083 1.00 0.00 C ATOM 83 CD1 PHE A 3 2.729 32.409 8.249 1.00 0.00 C ATOM 84 CD2 PHE A 3 3.545 34.593 8.736 1.00 0.00 C ATOM 85 CE1 PHE A 3 2.141 32.882 7.092 1.00 0.00 C ATOM 86 CE2 PHE A 3 2.958 35.074 7.581 1.00 0.00 C ATOM 87 CZ PHE A 3 2.256 34.216 6.758 1.00 0.00 C ATOM 0 H PHE A 3 4.509 30.371 9.392 1.00 0.00 H new ATOM 0 HA PHE A 3 6.122 32.812 9.771 1.00 0.00 H new ATOM 0 HB2 PHE A 3 3.378 32.023 10.808 1.00 0.00 H new ATOM 0 HB3 PHE A 3 4.167 33.569 11.051 1.00 0.00 H new ATOM 0 HD1 PHE A 3 2.635 31.364 8.506 1.00 0.00 H new ATOM 0 HD2 PHE A 3 4.094 35.268 9.376 1.00 0.00 H new ATOM 0 HE1 PHE A 3 1.592 32.209 6.450 1.00 0.00 H new ATOM 0 HE2 PHE A 3 3.048 36.119 7.323 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.797 34.588 5.854 1.00 0.00 H new ATOM 97 N GLY A 4 7.171 31.767 11.813 1.00 0.00 N ATOM 98 CA GLY A 4 7.711 31.190 12.998 1.00 0.00 C ATOM 99 C GLY A 4 8.024 29.736 12.780 1.00 0.00 C ATOM 100 O GLY A 4 8.883 29.395 11.961 1.00 0.00 O ATOM 0 H GLY A 4 7.818 32.337 11.268 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.616 31.723 13.289 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.000 31.296 13.818 1.00 0.00 H new ATOM 104 N ASN A 5 7.255 28.896 13.450 1.00 0.00 N ATOM 105 CA ASN A 5 7.442 27.456 13.417 1.00 0.00 C ATOM 106 C ASN A 5 6.654 26.845 12.280 1.00 0.00 C ATOM 107 O ASN A 5 6.921 25.732 11.857 1.00 0.00 O ATOM 108 CB ASN A 5 6.969 26.832 14.726 1.00 0.00 C ATOM 109 CG ASN A 5 7.850 27.187 15.901 1.00 0.00 C ATOM 110 OD1 ASN A 5 9.033 27.500 15.747 1.00 0.00 O ATOM 111 ND2 ASN A 5 7.276 27.118 17.086 1.00 0.00 N ATOM 0 H ASN A 5 6.477 29.196 14.037 1.00 0.00 H new ATOM 0 HA ASN A 5 8.504 27.259 13.274 1.00 0.00 H new ATOM 0 HB2 ASN A 5 5.950 27.160 14.931 1.00 0.00 H new ATOM 0 HB3 ASN A 5 6.939 25.748 14.616 1.00 0.00 H new ATOM 0 HD21 ASN A 5 7.814 27.328 17.926 1.00 0.00 H new ATOM 0 HD22 ASN A 5 6.294 26.854 17.162 1.00 0.00 H new ATOM 118 N GLY A 6 5.660 27.566 11.803 1.00 0.00 N ATOM 119 CA GLY A 6 4.820 27.028 10.763 1.00 0.00 C ATOM 120 C GLY A 6 3.449 26.673 11.276 1.00 0.00 C ATOM 121 O GLY A 6 2.699 25.942 10.628 1.00 0.00 O ATOM 0 H GLY A 6 5.420 28.507 12.114 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.729 27.756 9.957 1.00 0.00 H new ATOM 0 HA3 GLY A 6 5.290 26.141 10.339 1.00 0.00 H new ATOM 125 N LYS A 7 3.122 27.188 12.445 1.00 0.00 N ATOM 126 CA LYS A 7 1.814 26.980 13.034 1.00 0.00 C ATOM 127 C LYS A 7 0.734 27.618 12.163 1.00 0.00 C ATOM 128 O LYS A 7 -0.347 27.060 11.984 1.00 0.00 O ATOM 129 CB LYS A 7 1.801 27.568 14.438 1.00 0.00 C ATOM 130 CG LYS A 7 2.568 26.732 15.450 1.00 0.00 C ATOM 131 CD LYS A 7 2.503 27.336 16.846 1.00 0.00 C ATOM 132 CE LYS A 7 1.089 27.313 17.411 1.00 0.00 C ATOM 133 NZ LYS A 7 0.624 25.932 17.713 1.00 0.00 N ATOM 0 H LYS A 7 3.751 27.759 13.010 1.00 0.00 H new ATOM 0 HA LYS A 7 1.604 25.912 13.095 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.228 28.570 14.408 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.768 27.671 14.771 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.159 25.722 15.471 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.609 26.648 15.138 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.168 26.785 17.511 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.864 28.364 16.814 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.054 27.913 18.320 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.407 27.776 16.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.292 25.974 18.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.518 25.400 16.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.321 25.456 18.321 1.00 0.00 H new ATOM 147 N GLY A 8 1.054 28.783 11.613 1.00 0.00 N ATOM 148 CA GLY A 8 0.192 29.438 10.663 1.00 0.00 C ATOM 149 C GLY A 8 0.775 29.375 9.269 1.00 0.00 C ATOM 150 O GLY A 8 0.498 30.222 8.427 1.00 0.00 O ATOM 0 H GLY A 8 1.915 29.290 11.818 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.790 28.966 10.672 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.048 30.478 10.954 1.00 0.00 H new ATOM 154 N TYR A 9 1.616 28.374 9.041 1.00 0.00 N ATOM 155 CA TYR A 9 2.163 28.104 7.717 1.00 0.00 C ATOM 156 C TYR A 9 1.071 27.547 6.818 1.00 0.00 C ATOM 157 O TYR A 9 0.696 26.390 6.951 1.00 0.00 O ATOM 158 CB TYR A 9 3.311 27.097 7.829 1.00 0.00 C ATOM 159 CG TYR A 9 3.726 26.467 6.520 1.00 0.00 C ATOM 160 CD1 TYR A 9 3.800 27.205 5.348 1.00 0.00 C ATOM 161 CD2 TYR A 9 4.015 25.115 6.460 1.00 0.00 C ATOM 162 CE1 TYR A 9 4.136 26.606 4.152 1.00 0.00 C ATOM 163 CE2 TYR A 9 4.365 24.514 5.272 1.00 0.00 C ATOM 164 CZ TYR A 9 4.419 25.260 4.120 1.00 0.00 C ATOM 165 OH TYR A 9 4.723 24.652 2.927 1.00 0.00 O ATOM 0 H TYR A 9 1.937 27.730 9.764 1.00 0.00 H new ATOM 0 HA TYR A 9 2.543 29.030 7.286 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.175 27.598 8.266 1.00 0.00 H new ATOM 0 HB3 TYR A 9 3.018 26.307 8.520 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.591 28.264 5.372 1.00 0.00 H new ATOM 0 HD2 TYR A 9 3.965 24.521 7.361 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.177 27.191 3.245 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.596 23.459 5.246 1.00 0.00 H new ATOM 0 HH TYR A 9 4.176 23.846 2.822 1.00 0.00 H new ATOM 175 N ARG A 10 0.543 28.365 5.926 1.00 0.00 N ATOM 176 CA ARG A 10 -0.556 27.937 5.068 1.00 0.00 C ATOM 177 C ARG A 10 -0.065 27.814 3.625 1.00 0.00 C ATOM 178 O ARG A 10 -0.717 28.279 2.687 1.00 0.00 O ATOM 179 CB ARG A 10 -1.723 28.935 5.156 1.00 0.00 C ATOM 180 CG ARG A 10 -1.833 29.668 6.494 1.00 0.00 C ATOM 181 CD ARG A 10 -2.440 28.830 7.622 1.00 0.00 C ATOM 182 NE ARG A 10 -1.675 27.627 7.924 1.00 0.00 N ATOM 183 CZ ARG A 10 -1.702 27.019 9.104 1.00 0.00 C ATOM 184 NH1 ARG A 10 -2.591 27.377 10.023 1.00 0.00 N ATOM 185 NH2 ARG A 10 -0.848 26.037 9.353 1.00 0.00 N ATOM 0 H ARG A 10 0.852 29.325 5.774 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.913 26.964 5.405 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.614 29.672 4.360 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.655 28.401 4.971 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.839 29.999 6.797 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.439 30.564 6.356 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.511 29.442 8.521 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.456 28.546 7.348 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.088 27.231 7.190 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.258 28.123 9.824 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.607 26.906 10.928 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.176 25.753 8.640 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.863 25.565 10.257 1.00 0.00 H new ATOM 199 N GLY A 11 1.088 27.171 3.463 1.00 0.00 N ATOM 200 CA GLY A 11 1.745 27.108 2.169 1.00 0.00 C ATOM 201 C GLY A 11 1.435 25.837 1.404 1.00 0.00 C ATOM 202 O GLY A 11 0.439 25.163 1.682 1.00 0.00 O ATOM 0 H GLY A 11 1.583 26.688 4.213 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.440 27.967 1.572 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.823 27.185 2.312 1.00 0.00 H new ATOM 206 N LYS A 12 2.299 25.494 0.455 1.00 0.00 N ATOM 207 CA LYS A 12 2.020 24.417 -0.480 1.00 0.00 C ATOM 208 C LYS A 12 3.276 23.602 -0.747 1.00 0.00 C ATOM 209 O LYS A 12 3.330 22.823 -1.699 1.00 0.00 O ATOM 210 CB LYS A 12 1.484 25.016 -1.785 1.00 0.00 C ATOM 211 CG LYS A 12 2.516 25.836 -2.542 1.00 0.00 C ATOM 212 CD LYS A 12 1.861 26.844 -3.469 1.00 0.00 C ATOM 213 CE LYS A 12 0.942 26.179 -4.482 1.00 0.00 C ATOM 214 NZ LYS A 12 1.681 25.283 -5.410 1.00 0.00 N ATOM 0 H LYS A 12 3.201 25.950 0.315 1.00 0.00 H new ATOM 0 HA LYS A 12 1.272 23.750 -0.051 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.129 24.210 -2.427 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.624 25.646 -1.560 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.158 26.358 -1.832 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.156 25.171 -3.122 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.290 27.561 -2.879 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.632 27.407 -3.995 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.180 25.605 -3.956 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.423 26.946 -5.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.029 24.919 -6.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.447 25.815 -5.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.085 24.487 -4.876 1.00 0.00 H new ATOM 228 N ARG A 13 4.289 23.784 0.094 1.00 0.00 N ATOM 229 CA ARG A 13 5.498 22.995 -0.021 1.00 0.00 C ATOM 230 C ARG A 13 5.161 21.557 0.321 1.00 0.00 C ATOM 231 O ARG A 13 4.450 21.304 1.286 1.00 0.00 O ATOM 232 CB ARG A 13 6.576 23.522 0.919 1.00 0.00 C ATOM 233 CG ARG A 13 6.835 25.012 0.793 1.00 0.00 C ATOM 234 CD ARG A 13 7.565 25.357 -0.487 1.00 0.00 C ATOM 235 NE ARG A 13 7.759 26.797 -0.623 1.00 0.00 N ATOM 236 CZ ARG A 13 8.827 27.359 -1.167 1.00 0.00 C ATOM 237 NH1 ARG A 13 9.862 26.614 -1.541 1.00 0.00 N ATOM 238 NH2 ARG A 13 8.865 28.676 -1.316 1.00 0.00 N ATOM 0 H ARG A 13 4.292 24.465 0.853 1.00 0.00 H new ATOM 0 HA ARG A 13 5.884 23.059 -1.038 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.287 23.300 1.946 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.505 22.985 0.726 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.887 25.548 0.825 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.422 25.351 1.647 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.533 24.856 -0.501 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.000 24.983 -1.341 1.00 0.00 H new ATOM 0 HE ARG A 13 7.023 27.411 -0.276 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.837 25.603 -1.410 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.682 27.053 -1.960 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.076 29.247 -1.013 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.683 29.119 -1.734 1.00 0.00 H new ATOM 252 N VAL A 14 5.659 20.624 -0.467 1.00 0.00 N ATOM 253 CA VAL A 14 5.242 19.229 -0.362 1.00 0.00 C ATOM 254 C VAL A 14 6.441 18.299 -0.437 1.00 0.00 C ATOM 255 O VAL A 14 6.392 17.224 -1.040 1.00 0.00 O ATOM 256 CB VAL A 14 4.227 18.874 -1.467 1.00 0.00 C ATOM 257 CG1 VAL A 14 2.850 19.401 -1.103 1.00 0.00 C ATOM 258 CG2 VAL A 14 4.671 19.450 -2.805 1.00 0.00 C ATOM 0 H VAL A 14 6.355 20.802 -1.191 1.00 0.00 H new ATOM 0 HA VAL A 14 4.760 19.098 0.607 1.00 0.00 H new ATOM 0 HB VAL A 14 4.178 17.789 -1.555 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.142 19.144 -1.891 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.526 18.953 -0.164 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.893 20.485 -0.993 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.943 19.189 -3.573 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.745 20.535 -2.728 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.644 19.039 -3.073 1.00 0.00 H new ATOM 268 N THR A 15 7.515 18.730 0.192 1.00 0.00 N ATOM 269 CA THR A 15 8.757 18.010 0.210 1.00 0.00 C ATOM 270 C THR A 15 9.498 18.324 1.492 1.00 0.00 C ATOM 271 O THR A 15 9.396 19.433 2.024 1.00 0.00 O ATOM 272 CB THR A 15 9.648 18.409 -0.969 1.00 0.00 C ATOM 273 OG1 THR A 15 9.304 19.722 -1.440 1.00 0.00 O ATOM 274 CG2 THR A 15 9.551 17.402 -2.088 1.00 0.00 C ATOM 0 H THR A 15 7.542 19.607 0.712 1.00 0.00 H new ATOM 0 HA THR A 15 8.530 16.946 0.140 1.00 0.00 H new ATOM 0 HB THR A 15 10.680 18.426 -0.620 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.884 19.962 -2.192 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.194 17.711 -2.912 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.869 16.424 -1.726 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.520 17.342 -2.435 1.00 0.00 H new ATOM 282 N THR A 16 10.251 17.359 1.971 1.00 0.00 N ATOM 283 CA THR A 16 11.036 17.530 3.167 1.00 0.00 C ATOM 284 C THR A 16 12.267 18.384 2.892 1.00 0.00 C ATOM 285 O THR A 16 12.418 18.938 1.800 1.00 0.00 O ATOM 286 CB THR A 16 11.483 16.164 3.691 1.00 0.00 C ATOM 287 OG1 THR A 16 12.153 15.462 2.638 1.00 0.00 O ATOM 288 CG2 THR A 16 10.291 15.353 4.162 1.00 0.00 C ATOM 0 H THR A 16 10.335 16.437 1.542 1.00 0.00 H new ATOM 0 HA THR A 16 10.417 18.032 3.911 1.00 0.00 H new ATOM 0 HB THR A 16 12.155 16.309 4.536 1.00 0.00 H new ATOM 0 HG1 THR A 16 13.051 15.206 2.935 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.632 14.385 4.530 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.781 15.887 4.964 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.602 15.202 3.331 1.00 0.00 H new ATOM 296 N VAL A 17 13.159 18.469 3.865 1.00 0.00 N ATOM 297 CA VAL A 17 14.412 19.180 3.685 1.00 0.00 C ATOM 298 C VAL A 17 15.298 18.470 2.671 1.00 0.00 C ATOM 299 O VAL A 17 16.222 19.055 2.106 1.00 0.00 O ATOM 300 CB VAL A 17 15.189 19.332 4.999 1.00 0.00 C ATOM 301 CG1 VAL A 17 14.519 20.350 5.908 1.00 0.00 C ATOM 302 CG2 VAL A 17 15.328 17.990 5.704 1.00 0.00 C ATOM 0 H VAL A 17 13.038 18.054 4.789 1.00 0.00 H new ATOM 0 HA VAL A 17 14.151 20.173 3.321 1.00 0.00 H new ATOM 0 HB VAL A 17 16.189 19.695 4.760 1.00 0.00 H new ATOM 0 HG11 VAL A 17 15.087 20.441 6.834 1.00 0.00 H new ATOM 0 HG12 VAL A 17 14.484 21.317 5.407 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.505 20.022 6.136 1.00 0.00 H new ATOM 0 HG21 VAL A 17 15.882 18.123 6.633 1.00 0.00 H new ATOM 0 HG22 VAL A 17 14.338 17.591 5.926 1.00 0.00 H new ATOM 0 HG23 VAL A 17 15.863 17.294 5.059 1.00 0.00 H new ATOM 312 N THR A 18 14.985 17.214 2.436 1.00 0.00 N ATOM 313 CA THR A 18 15.747 16.386 1.530 1.00 0.00 C ATOM 314 C THR A 18 15.128 16.434 0.147 1.00 0.00 C ATOM 315 O THR A 18 15.726 15.999 -0.835 1.00 0.00 O ATOM 316 CB THR A 18 15.738 14.932 2.013 1.00 0.00 C ATOM 317 OG1 THR A 18 14.396 14.427 1.942 1.00 0.00 O ATOM 318 CG2 THR A 18 16.229 14.842 3.448 1.00 0.00 C ATOM 0 H THR A 18 14.193 16.739 2.869 1.00 0.00 H new ATOM 0 HA THR A 18 16.770 16.760 1.497 1.00 0.00 H new ATOM 0 HB THR A 18 16.401 14.343 1.379 1.00 0.00 H new ATOM 0 HG1 THR A 18 14.279 13.715 2.605 1.00 0.00 H new ATOM 0 HG21 THR A 18 16.215 13.802 3.773 1.00 0.00 H new ATOM 0 HG22 THR A 18 17.247 15.228 3.509 1.00 0.00 H new ATOM 0 HG23 THR A 18 15.578 15.432 4.093 1.00 0.00 H new ATOM 326 N GLY A 19 13.919 16.971 0.081 1.00 0.00 N ATOM 327 CA GLY A 19 13.178 16.929 -1.144 1.00 0.00 C ATOM 328 C GLY A 19 12.394 15.645 -1.269 1.00 0.00 C ATOM 329 O GLY A 19 11.908 15.321 -2.351 1.00 0.00 O ATOM 0 H GLY A 19 13.446 17.433 0.858 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.497 17.779 -1.188 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.861 17.024 -1.988 1.00 0.00 H new ATOM 333 N THR A 20 12.285 14.896 -0.173 1.00 0.00 N ATOM 334 CA THR A 20 11.420 13.736 -0.156 1.00 0.00 C ATOM 335 C THR A 20 9.974 14.194 -0.045 1.00 0.00 C ATOM 336 O THR A 20 9.623 14.912 0.888 1.00 0.00 O ATOM 337 CB THR A 20 11.756 12.792 1.012 1.00 0.00 C ATOM 338 OG1 THR A 20 13.101 12.311 0.880 1.00 0.00 O ATOM 339 CG2 THR A 20 10.796 11.618 1.052 1.00 0.00 C ATOM 0 H THR A 20 12.781 15.075 0.700 1.00 0.00 H new ATOM 0 HA THR A 20 11.572 13.183 -1.083 1.00 0.00 H new ATOM 0 HB THR A 20 11.658 13.351 1.942 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.726 13.060 0.967 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.054 10.965 1.886 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.778 11.985 1.180 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.866 11.059 0.119 1.00 0.00 H new ATOM 347 N PRO A 21 9.130 13.822 -1.016 1.00 0.00 N ATOM 348 CA PRO A 21 7.714 14.189 -1.014 1.00 0.00 C ATOM 349 C PRO A 21 7.020 13.881 0.296 1.00 0.00 C ATOM 350 O PRO A 21 7.105 12.765 0.819 1.00 0.00 O ATOM 351 CB PRO A 21 7.127 13.312 -2.101 1.00 0.00 C ATOM 352 CG PRO A 21 8.242 13.124 -3.059 1.00 0.00 C ATOM 353 CD PRO A 21 9.480 13.019 -2.207 1.00 0.00 C ATOM 0 HA PRO A 21 7.587 15.261 -1.166 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.781 12.359 -1.700 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.269 13.788 -2.577 1.00 0.00 H new ATOM 0 HG2 PRO A 21 8.099 12.225 -3.658 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.311 13.962 -3.753 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.704 11.985 -1.945 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.357 13.416 -2.718 1.00 0.00 H new ATOM 361 N CYS A 22 6.351 14.876 0.831 1.00 0.00 N ATOM 362 CA CYS A 22 5.506 14.669 1.986 1.00 0.00 C ATOM 363 C CYS A 22 4.291 13.839 1.608 1.00 0.00 C ATOM 364 O CYS A 22 3.694 14.019 0.546 1.00 0.00 O ATOM 365 CB CYS A 22 5.067 16.004 2.570 1.00 0.00 C ATOM 366 SG CYS A 22 6.465 17.047 3.075 1.00 0.00 S ATOM 0 H CYS A 22 6.375 15.836 0.486 1.00 0.00 H new ATOM 0 HA CYS A 22 6.079 14.130 2.741 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.469 16.539 1.832 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.424 15.824 3.432 1.00 0.00 H new ATOM 371 N GLN A 23 3.966 12.908 2.478 1.00 0.00 N ATOM 372 CA GLN A 23 2.781 12.089 2.355 1.00 0.00 C ATOM 373 C GLN A 23 1.561 12.930 2.604 1.00 0.00 C ATOM 374 O GLN A 23 1.652 14.023 3.165 1.00 0.00 O ATOM 375 CB GLN A 23 2.814 10.999 3.408 1.00 0.00 C ATOM 376 CG GLN A 23 1.823 9.873 3.199 1.00 0.00 C ATOM 377 CD GLN A 23 1.972 8.842 4.280 1.00 0.00 C ATOM 378 OE1 GLN A 23 2.772 7.941 4.152 1.00 0.00 O ATOM 379 NE2 GLN A 23 1.160 8.930 5.315 1.00 0.00 N ATOM 0 H GLN A 23 4.527 12.696 3.303 1.00 0.00 H new ATOM 0 HA GLN A 23 2.750 11.658 1.354 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.818 10.577 3.440 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.627 11.451 4.382 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.807 10.268 3.201 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.984 9.414 2.224 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.502 9.706 5.382 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.190 8.222 6.049 1.00 0.00 H new ATOM 388 N ASP A 24 0.420 12.397 2.247 1.00 0.00 N ATOM 389 CA ASP A 24 -0.813 13.078 2.509 1.00 0.00 C ATOM 390 C ASP A 24 -1.105 12.893 3.970 1.00 0.00 C ATOM 391 O ASP A 24 -1.083 11.766 4.477 1.00 0.00 O ATOM 392 CB ASP A 24 -1.959 12.523 1.662 1.00 0.00 C ATOM 393 CG ASP A 24 -1.768 12.775 0.181 1.00 0.00 C ATOM 394 OD1 ASP A 24 -2.146 13.865 -0.296 1.00 0.00 O ATOM 395 OD2 ASP A 24 -1.252 11.877 -0.516 1.00 0.00 O ATOM 0 H ASP A 24 0.324 11.497 1.776 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.722 14.133 2.250 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.047 11.450 1.835 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.896 12.976 1.985 1.00 0.00 H new ATOM 400 N TRP A 25 -1.315 13.993 4.659 1.00 0.00 N ATOM 401 CA TRP A 25 -1.690 13.952 6.061 1.00 0.00 C ATOM 402 C TRP A 25 -2.912 13.065 6.225 1.00 0.00 C ATOM 403 O TRP A 25 -3.105 12.420 7.252 1.00 0.00 O ATOM 404 CB TRP A 25 -1.988 15.359 6.564 1.00 0.00 C ATOM 405 CG TRP A 25 -0.908 16.335 6.229 1.00 0.00 C ATOM 406 CD1 TRP A 25 -0.819 17.093 5.106 1.00 0.00 C ATOM 407 CD2 TRP A 25 0.237 16.661 7.021 1.00 0.00 C ATOM 408 NE1 TRP A 25 0.304 17.863 5.155 1.00 0.00 N ATOM 409 CE2 TRP A 25 0.962 17.630 6.323 1.00 0.00 C ATOM 410 CE3 TRP A 25 0.704 16.240 8.257 1.00 0.00 C ATOM 411 CZ2 TRP A 25 2.144 18.175 6.815 1.00 0.00 C ATOM 412 CZ3 TRP A 25 1.874 16.779 8.752 1.00 0.00 C ATOM 413 CH2 TRP A 25 2.579 17.745 8.037 1.00 0.00 C ATOM 0 H TRP A 25 -1.233 14.933 4.271 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.866 13.544 6.647 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -2.928 15.702 6.133 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -2.124 15.332 7.645 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -1.532 17.087 4.295 1.00 0.00 H new ATOM 0 HE1 TRP A 25 0.605 18.513 4.429 1.00 0.00 H new ATOM 0 HE3 TRP A 25 0.159 15.500 8.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 2.698 18.911 6.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 2.249 16.447 9.709 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.484 18.161 8.455 1.00 0.00 H new ATOM 424 N ALA A 26 -3.722 13.044 5.180 1.00 0.00 N ATOM 425 CA ALA A 26 -4.914 12.214 5.128 1.00 0.00 C ATOM 426 C ALA A 26 -4.600 10.740 4.837 1.00 0.00 C ATOM 427 O ALA A 26 -5.415 9.870 5.141 1.00 0.00 O ATOM 428 CB ALA A 26 -5.882 12.755 4.087 1.00 0.00 C ATOM 0 H ALA A 26 -3.571 13.604 4.341 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.372 12.254 6.116 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.772 12.126 4.056 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.167 13.774 4.350 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.402 12.753 3.108 1.00 0.00 H new ATOM 434 N ALA A 27 -3.424 10.435 4.277 1.00 0.00 N ATOM 435 CA ALA A 27 -3.170 9.092 3.804 1.00 0.00 C ATOM 436 C ALA A 27 -2.317 8.358 4.806 1.00 0.00 C ATOM 437 O ALA A 27 -1.527 8.964 5.493 1.00 0.00 O ATOM 438 CB ALA A 27 -2.488 9.122 2.446 1.00 0.00 C ATOM 0 H ALA A 27 -2.655 11.092 4.147 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.120 8.570 3.692 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.306 8.102 2.108 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.129 9.633 1.728 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.539 9.652 2.527 1.00 0.00 H new ATOM 444 N GLN A 28 -2.478 7.061 4.874 1.00 0.00 N ATOM 445 CA GLN A 28 -1.745 6.224 5.787 1.00 0.00 C ATOM 446 C GLN A 28 -0.704 5.508 4.980 1.00 0.00 C ATOM 447 O GLN A 28 -0.240 4.431 5.338 1.00 0.00 O ATOM 448 CB GLN A 28 -2.682 5.193 6.420 1.00 0.00 C ATOM 449 CG GLN A 28 -3.866 5.799 7.141 1.00 0.00 C ATOM 450 CD GLN A 28 -3.422 6.722 8.239 1.00 0.00 C ATOM 451 OE1 GLN A 28 -3.177 6.286 9.352 1.00 0.00 O ATOM 452 NE2 GLN A 28 -3.304 8.001 7.932 1.00 0.00 N ATOM 0 H GLN A 28 -3.135 6.549 4.285 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.298 6.821 6.582 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.048 4.523 5.642 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.114 4.584 7.123 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.486 6.347 6.431 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.485 5.005 7.558 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.520 8.321 6.988 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -2.997 8.669 8.639 1.00 0.00 H new ATOM 461 N GLU A 29 -0.354 6.105 3.861 1.00 0.00 N ATOM 462 CA GLU A 29 0.399 5.389 2.876 1.00 0.00 C ATOM 463 C GLU A 29 1.471 6.227 2.213 1.00 0.00 C ATOM 464 O GLU A 29 1.211 7.330 1.741 1.00 0.00 O ATOM 465 CB GLU A 29 -0.549 4.835 1.821 1.00 0.00 C ATOM 466 CG GLU A 29 -1.559 3.838 2.359 1.00 0.00 C ATOM 467 CD GLU A 29 -2.389 3.209 1.264 1.00 0.00 C ATOM 468 OE1 GLU A 29 -3.007 3.954 0.476 1.00 0.00 O ATOM 469 OE2 GLU A 29 -2.427 1.963 1.182 1.00 0.00 O ATOM 0 H GLU A 29 -0.579 7.070 3.620 1.00 0.00 H new ATOM 0 HA GLU A 29 0.915 4.581 3.395 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.084 5.664 1.357 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.037 4.355 1.037 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.036 3.056 2.909 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.218 4.339 3.068 1.00 0.00 H new ATOM 476 N PRO A 30 2.695 5.681 2.150 1.00 0.00 N ATOM 477 CA PRO A 30 3.002 4.348 2.685 1.00 0.00 C ATOM 478 C PRO A 30 3.357 4.362 4.179 1.00 0.00 C ATOM 479 O PRO A 30 4.085 3.498 4.659 1.00 0.00 O ATOM 480 CB PRO A 30 4.214 3.938 1.851 1.00 0.00 C ATOM 481 CG PRO A 30 4.928 5.219 1.580 1.00 0.00 C ATOM 482 CD PRO A 30 3.870 6.295 1.505 1.00 0.00 C ATOM 0 HA PRO A 30 2.150 3.671 2.620 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.849 3.236 2.391 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.912 3.448 0.925 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.647 5.437 2.370 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.488 5.161 0.647 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.183 7.201 2.024 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.658 6.576 0.473 1.00 0.00 H new ATOM 490 N HIS A 31 2.846 5.351 4.905 1.00 0.00 N ATOM 491 CA HIS A 31 3.125 5.492 6.326 1.00 0.00 C ATOM 492 C HIS A 31 1.817 5.611 7.079 1.00 0.00 C ATOM 493 O HIS A 31 1.091 6.611 6.954 1.00 0.00 O ATOM 494 CB HIS A 31 4.028 6.711 6.604 1.00 0.00 C ATOM 495 CG HIS A 31 5.419 6.557 6.064 1.00 0.00 C ATOM 496 ND1 HIS A 31 5.687 6.412 4.723 1.00 0.00 N ATOM 497 CD2 HIS A 31 6.617 6.501 6.690 1.00 0.00 C ATOM 498 CE1 HIS A 31 6.983 6.269 4.546 1.00 0.00 C ATOM 499 NE2 HIS A 31 7.577 6.322 5.722 1.00 0.00 N ATOM 0 H HIS A 31 2.231 6.072 4.526 1.00 0.00 H new ATOM 0 HA HIS A 31 3.663 4.608 6.668 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.572 7.599 6.166 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.080 6.877 7.680 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.788 6.582 7.753 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.478 6.131 3.596 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.581 6.243 5.886 1.00 0.00 H new ATOM 508 N ARG A 32 1.500 4.570 7.827 1.00 0.00 N ATOM 509 CA ARG A 32 0.251 4.510 8.554 1.00 0.00 C ATOM 510 C ARG A 32 0.331 5.462 9.736 1.00 0.00 C ATOM 511 O ARG A 32 1.112 5.240 10.662 1.00 0.00 O ATOM 512 CB ARG A 32 -0.016 3.083 9.066 1.00 0.00 C ATOM 513 CG ARG A 32 0.755 1.986 8.332 1.00 0.00 C ATOM 514 CD ARG A 32 0.367 1.896 6.867 1.00 0.00 C ATOM 515 NE ARG A 32 1.208 0.952 6.130 1.00 0.00 N ATOM 516 CZ ARG A 32 1.165 0.794 4.809 1.00 0.00 C ATOM 517 NH1 ARG A 32 0.273 1.453 4.082 1.00 0.00 N ATOM 518 NH2 ARG A 32 2.005 -0.043 4.211 1.00 0.00 N ATOM 0 H ARG A 32 2.096 3.751 7.945 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.563 4.794 7.888 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.236 3.039 10.125 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.083 2.876 8.983 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.825 2.180 8.412 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.568 1.027 8.815 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.676 1.590 6.787 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.445 2.883 6.411 1.00 0.00 H new ATOM 0 HE ARG A 32 1.866 0.381 6.660 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.386 2.086 4.535 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.246 1.327 3.070 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.684 -0.566 4.764 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.971 -0.163 3.199 1.00 0.00 H new ATOM 532 N HIS A 33 -0.449 6.529 9.708 1.00 0.00 N ATOM 533 CA HIS A 33 -0.380 7.524 10.773 1.00 0.00 C ATOM 534 C HIS A 33 -1.763 8.092 11.063 1.00 0.00 C ATOM 535 O HIS A 33 -2.262 8.991 10.386 1.00 0.00 O ATOM 536 CB HIS A 33 0.614 8.650 10.436 1.00 0.00 C ATOM 537 CG HIS A 33 0.161 9.520 9.316 1.00 0.00 C ATOM 538 ND1 HIS A 33 -0.070 10.857 9.448 1.00 0.00 N ATOM 539 CD2 HIS A 33 -0.164 9.211 8.065 1.00 0.00 C ATOM 540 CE1 HIS A 33 -0.521 11.348 8.324 1.00 0.00 C ATOM 541 NE2 HIS A 33 -0.584 10.370 7.456 1.00 0.00 N ATOM 0 H HIS A 33 -1.128 6.730 8.974 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.014 7.024 11.670 1.00 0.00 H new ATOM 0 HB2 HIS A 33 0.771 9.264 11.323 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.577 8.210 10.178 1.00 0.00 H new ATOM 0 HD1 HIS A 33 0.086 11.396 10.300 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.109 8.232 7.611 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.793 12.377 8.143 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -0.894 10.454 6.488 1.00 0.00 H new ATOM 550 N SER A 34 -2.388 7.529 12.055 1.00 0.00 N ATOM 551 CA SER A 34 -3.702 7.976 12.489 1.00 0.00 C ATOM 552 C SER A 34 -3.616 9.288 13.285 1.00 0.00 C ATOM 553 O SER A 34 -4.521 9.617 14.054 1.00 0.00 O ATOM 554 CB SER A 34 -4.358 6.883 13.340 1.00 0.00 C ATOM 555 OG SER A 34 -4.297 5.623 12.684 1.00 0.00 O ATOM 0 H SER A 34 -2.012 6.748 12.593 1.00 0.00 H new ATOM 0 HA SER A 34 -4.309 8.167 11.604 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.857 6.819 14.306 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.398 7.145 13.537 1.00 0.00 H new ATOM 0 HG SER A 34 -4.720 4.941 13.246 1.00 0.00 H new ATOM 561 N ILE A 35 -2.539 10.049 13.070 1.00 0.00 N ATOM 562 CA ILE A 35 -2.293 11.277 13.798 1.00 0.00 C ATOM 563 C ILE A 35 -1.720 12.310 12.851 1.00 0.00 C ATOM 564 O ILE A 35 -1.147 11.957 11.811 1.00 0.00 O ATOM 565 CB ILE A 35 -1.323 11.088 14.988 1.00 0.00 C ATOM 566 CG1 ILE A 35 0.016 10.527 14.500 1.00 0.00 C ATOM 567 CG2 ILE A 35 -1.933 10.185 16.052 1.00 0.00 C ATOM 568 CD1 ILE A 35 1.047 10.371 15.600 1.00 0.00 C ATOM 0 H ILE A 35 -1.819 9.823 12.384 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.248 11.606 14.208 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.144 12.063 15.441 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.155 9.557 14.034 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.417 11.185 13.729 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.230 10.069 16.877 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.856 10.631 16.422 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.149 9.208 15.620 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.969 9.969 15.180 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.247 11.343 16.051 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.667 9.689 16.361 1.00 0.00 H new ATOM 580 N PHE A 36 -1.859 13.570 13.231 1.00 0.00 N ATOM 581 CA PHE A 36 -1.503 14.685 12.394 1.00 0.00 C ATOM 582 C PHE A 36 -2.131 14.546 11.017 1.00 0.00 C ATOM 583 O PHE A 36 -1.476 14.684 9.984 1.00 0.00 O ATOM 584 CB PHE A 36 0.008 14.862 12.336 1.00 0.00 C ATOM 585 CG PHE A 36 0.628 14.980 13.701 1.00 0.00 C ATOM 586 CD1 PHE A 36 0.476 16.139 14.447 1.00 0.00 C ATOM 587 CD2 PHE A 36 1.359 13.935 14.239 1.00 0.00 C ATOM 588 CE1 PHE A 36 1.040 16.253 15.703 1.00 0.00 C ATOM 589 CE2 PHE A 36 1.927 14.040 15.495 1.00 0.00 C ATOM 590 CZ PHE A 36 1.768 15.201 16.228 1.00 0.00 C ATOM 0 H PHE A 36 -2.228 13.842 14.142 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.906 15.597 12.835 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.450 14.014 11.812 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.244 15.754 11.755 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.091 16.964 14.041 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.487 13.026 13.670 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.913 17.161 16.273 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.494 13.216 15.903 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.212 15.286 17.209 1.00 0.00 H new ATOM 600 N THR A 37 -3.412 14.223 11.039 1.00 0.00 N ATOM 601 CA THR A 37 -4.235 14.208 9.850 1.00 0.00 C ATOM 602 C THR A 37 -5.052 15.493 9.800 1.00 0.00 C ATOM 603 O THR A 37 -5.021 16.284 10.749 1.00 0.00 O ATOM 604 CB THR A 37 -5.211 13.010 9.857 1.00 0.00 C ATOM 605 OG1 THR A 37 -6.208 13.205 10.873 1.00 0.00 O ATOM 606 CG2 THR A 37 -4.472 11.701 10.105 1.00 0.00 C ATOM 0 H THR A 37 -3.911 13.963 11.890 1.00 0.00 H new ATOM 0 HA THR A 37 -3.581 14.122 8.982 1.00 0.00 H new ATOM 0 HB THR A 37 -5.689 12.951 8.879 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.727 12.381 10.984 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.184 10.876 10.105 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.735 11.545 9.318 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.968 11.745 11.070 1.00 0.00 H new ATOM 614 N PRO A 38 -5.802 15.728 8.718 1.00 0.00 N ATOM 615 CA PRO A 38 -6.759 16.833 8.668 1.00 0.00 C ATOM 616 C PRO A 38 -7.881 16.659 9.687 1.00 0.00 C ATOM 617 O PRO A 38 -8.592 17.613 10.018 1.00 0.00 O ATOM 618 CB PRO A 38 -7.333 16.758 7.254 1.00 0.00 C ATOM 619 CG PRO A 38 -6.370 15.931 6.476 1.00 0.00 C ATOM 620 CD PRO A 38 -5.751 14.979 7.455 1.00 0.00 C ATOM 0 HA PRO A 38 -6.285 17.787 8.900 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.325 16.306 7.257 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.437 17.752 6.819 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.877 15.392 5.676 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.610 16.556 6.007 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -6.308 14.044 7.517 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.728 14.723 7.178 1.00 0.00 H new ATOM 628 N GLU A 39 -8.030 15.437 10.189 1.00 0.00 N ATOM 629 CA GLU A 39 -9.119 15.114 11.094 1.00 0.00 C ATOM 630 C GLU A 39 -8.693 15.332 12.536 1.00 0.00 C ATOM 631 O GLU A 39 -9.477 15.793 13.365 1.00 0.00 O ATOM 632 CB GLU A 39 -9.554 13.660 10.910 1.00 0.00 C ATOM 633 CG GLU A 39 -9.810 13.264 9.466 1.00 0.00 C ATOM 634 CD GLU A 39 -10.281 11.831 9.342 1.00 0.00 C ATOM 635 OE1 GLU A 39 -9.604 10.931 9.877 1.00 0.00 O ATOM 636 OE2 GLU A 39 -11.347 11.600 8.735 1.00 0.00 O ATOM 0 H GLU A 39 -7.408 14.656 9.982 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.957 15.772 10.863 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.785 13.007 11.323 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.462 13.488 11.488 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.558 13.929 9.036 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.896 13.396 8.887 1.00 0.00 H new ATOM 643 N THR A 40 -7.445 15.003 12.833 1.00 0.00 N ATOM 644 CA THR A 40 -6.947 15.085 14.191 1.00 0.00 C ATOM 645 C THR A 40 -6.379 16.463 14.479 1.00 0.00 C ATOM 646 O THR A 40 -6.245 16.861 15.639 1.00 0.00 O ATOM 647 CB THR A 40 -5.862 14.023 14.456 1.00 0.00 C ATOM 648 OG1 THR A 40 -4.813 14.145 13.484 1.00 0.00 O ATOM 649 CG2 THR A 40 -6.448 12.619 14.399 1.00 0.00 C ATOM 0 H THR A 40 -6.761 14.677 12.150 1.00 0.00 H new ATOM 0 HA THR A 40 -7.792 14.898 14.854 1.00 0.00 H new ATOM 0 HB THR A 40 -5.459 14.190 15.455 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.237 14.903 13.718 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.662 11.889 14.589 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.227 12.519 15.155 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.876 12.443 13.412 1.00 0.00 H new ATOM 657 N ASN A 41 -6.044 17.197 13.423 1.00 0.00 N ATOM 658 CA ASN A 41 -5.436 18.508 13.588 1.00 0.00 C ATOM 659 C ASN A 41 -6.074 19.535 12.662 1.00 0.00 C ATOM 660 O ASN A 41 -5.424 20.081 11.780 1.00 0.00 O ATOM 661 CB ASN A 41 -3.934 18.429 13.330 1.00 0.00 C ATOM 662 CG ASN A 41 -3.229 17.543 14.329 1.00 0.00 C ATOM 663 OD1 ASN A 41 -3.164 16.323 14.170 1.00 0.00 O ATOM 664 ND2 ASN A 41 -2.685 18.156 15.358 1.00 0.00 N ATOM 0 H ASN A 41 -6.182 16.909 12.454 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.606 18.830 14.616 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -3.760 18.049 12.323 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.507 19.431 13.371 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.184 17.618 16.065 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -2.764 19.169 15.448 1.00 0.00 H new ATOM 671 N PRO A 42 -7.353 19.849 12.876 1.00 0.00 N ATOM 672 CA PRO A 42 -8.074 20.817 12.045 1.00 0.00 C ATOM 673 C PRO A 42 -7.640 22.255 12.331 1.00 0.00 C ATOM 674 O PRO A 42 -8.232 23.209 11.827 1.00 0.00 O ATOM 675 CB PRO A 42 -9.537 20.601 12.442 1.00 0.00 C ATOM 676 CG PRO A 42 -9.484 20.065 13.833 1.00 0.00 C ATOM 677 CD PRO A 42 -8.195 19.294 13.948 1.00 0.00 C ATOM 0 HA PRO A 42 -7.885 20.671 10.981 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -10.099 21.534 12.400 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -10.030 19.901 11.768 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -9.517 20.875 14.562 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.340 19.421 14.033 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -7.735 19.428 14.927 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -8.356 18.224 13.816 1.00 0.00 H new ATOM 685 N ARG A 43 -6.586 22.401 13.125 1.00 0.00 N ATOM 686 CA ARG A 43 -6.139 23.708 13.573 1.00 0.00 C ATOM 687 C ARG A 43 -4.916 24.175 12.791 1.00 0.00 C ATOM 688 O ARG A 43 -4.585 25.358 12.796 1.00 0.00 O ATOM 689 CB ARG A 43 -5.819 23.646 15.065 1.00 0.00 C ATOM 690 CG ARG A 43 -4.726 22.646 15.396 1.00 0.00 C ATOM 691 CD ARG A 43 -4.825 22.158 16.829 1.00 0.00 C ATOM 692 NE ARG A 43 -4.724 23.249 17.797 1.00 0.00 N ATOM 693 CZ ARG A 43 -4.334 23.089 19.060 1.00 0.00 C ATOM 694 NH1 ARG A 43 -3.908 21.907 19.491 1.00 0.00 N ATOM 695 NH2 ARG A 43 -4.344 24.125 19.886 1.00 0.00 N ATOM 0 H ARG A 43 -6.024 21.624 13.472 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.938 24.428 13.396 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.515 24.635 15.407 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.723 23.383 15.614 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.793 21.796 14.717 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.751 23.106 15.235 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.773 21.639 16.968 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.033 21.433 17.019 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.967 24.190 17.486 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.878 21.112 18.853 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.611 21.794 20.460 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.649 25.040 19.553 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.046 24.008 20.855 1.00 0.00 H new ATOM 709 N ALA A 44 -4.242 23.252 12.108 1.00 0.00 N ATOM 710 CA ALA A 44 -3.045 23.620 11.378 1.00 0.00 C ATOM 711 C ALA A 44 -3.281 23.568 9.879 1.00 0.00 C ATOM 712 O ALA A 44 -2.361 23.746 9.085 1.00 0.00 O ATOM 713 CB ALA A 44 -1.866 22.750 11.783 1.00 0.00 C ATOM 0 H ALA A 44 -4.501 22.267 12.048 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.799 24.650 11.638 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.982 23.049 11.219 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.674 22.871 12.849 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.095 21.706 11.572 1.00 0.00 H new ATOM 719 N GLY A 45 -4.530 23.311 9.513 1.00 0.00 N ATOM 720 CA GLY A 45 -4.936 23.351 8.122 1.00 0.00 C ATOM 721 C GLY A 45 -4.208 22.333 7.280 1.00 0.00 C ATOM 722 O GLY A 45 -3.725 22.647 6.198 1.00 0.00 O ATOM 0 H GLY A 45 -5.278 23.073 10.165 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.009 23.173 8.055 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.752 24.348 7.721 1.00 0.00 H new ATOM 726 N LEU A 46 -4.126 21.116 7.789 1.00 0.00 N ATOM 727 CA LEU A 46 -3.417 20.046 7.106 1.00 0.00 C ATOM 728 C LEU A 46 -4.202 19.580 5.892 1.00 0.00 C ATOM 729 O LEU A 46 -5.101 18.748 5.996 1.00 0.00 O ATOM 730 CB LEU A 46 -3.148 18.876 8.059 1.00 0.00 C ATOM 731 CG LEU A 46 -2.211 19.201 9.233 1.00 0.00 C ATOM 732 CD1 LEU A 46 -2.944 19.919 10.340 1.00 0.00 C ATOM 733 CD2 LEU A 46 -1.554 17.948 9.771 1.00 0.00 C ATOM 0 H LEU A 46 -4.544 20.842 8.678 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.456 20.433 6.767 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.100 18.526 8.459 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.719 18.052 7.488 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.434 19.863 8.851 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.252 20.134 11.155 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.356 20.853 9.958 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.754 19.289 10.708 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.897 18.209 10.601 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.321 17.256 10.119 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.970 17.475 8.981 1.00 0.00 H new ATOM 745 N GLU A 47 -3.865 20.146 4.748 1.00 0.00 N ATOM 746 CA GLU A 47 -4.523 19.844 3.503 1.00 0.00 C ATOM 747 C GLU A 47 -3.600 19.030 2.608 1.00 0.00 C ATOM 748 O GLU A 47 -2.413 19.340 2.494 1.00 0.00 O ATOM 749 CB GLU A 47 -4.915 21.155 2.821 1.00 0.00 C ATOM 750 CG GLU A 47 -3.888 22.262 3.028 1.00 0.00 C ATOM 751 CD GLU A 47 -4.280 23.581 2.400 1.00 0.00 C ATOM 752 OE1 GLU A 47 -5.489 23.820 2.197 1.00 0.00 O ATOM 753 OE2 GLU A 47 -3.376 24.403 2.131 1.00 0.00 O ATOM 0 H GLU A 47 -3.118 20.835 4.663 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.419 19.253 3.692 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.042 20.979 1.753 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.880 21.485 3.206 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.737 22.410 4.097 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.933 21.942 2.612 1.00 0.00 H new ATOM 760 N LYS A 48 -4.144 17.977 2.011 1.00 0.00 N ATOM 761 CA LYS A 48 -3.404 17.148 1.063 1.00 0.00 C ATOM 762 C LYS A 48 -2.104 16.623 1.672 1.00 0.00 C ATOM 763 O LYS A 48 -2.126 15.818 2.602 1.00 0.00 O ATOM 764 CB LYS A 48 -3.100 17.933 -0.215 1.00 0.00 C ATOM 765 CG LYS A 48 -4.333 18.361 -0.992 1.00 0.00 C ATOM 766 CD LYS A 48 -5.229 17.183 -1.333 1.00 0.00 C ATOM 767 CE LYS A 48 -6.411 17.610 -2.190 1.00 0.00 C ATOM 768 NZ LYS A 48 -7.152 18.758 -1.597 1.00 0.00 N ATOM 0 H LYS A 48 -5.105 17.673 2.168 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.033 16.293 0.817 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.523 18.820 0.046 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.471 17.322 -0.862 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.896 19.087 -0.406 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.027 18.861 -1.911 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.650 16.426 -1.861 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.592 16.723 -0.414 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.057 17.883 -3.184 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.090 16.767 -2.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.165 18.667 -1.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.018 18.762 -0.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.791 19.648 -1.997 1.00 0.00 H new ATOM 782 N ASN A 49 -0.977 17.102 1.156 1.00 0.00 N ATOM 783 CA ASN A 49 0.321 16.727 1.677 1.00 0.00 C ATOM 784 C ASN A 49 1.207 17.954 1.832 1.00 0.00 C ATOM 785 O ASN A 49 2.415 17.838 2.037 1.00 0.00 O ATOM 786 CB ASN A 49 1.000 15.699 0.769 1.00 0.00 C ATOM 787 CG ASN A 49 1.336 16.222 -0.613 1.00 0.00 C ATOM 788 OD1 ASN A 49 0.599 17.020 -1.194 1.00 0.00 O ATOM 789 ND2 ASN A 49 2.463 15.776 -1.144 1.00 0.00 N ATOM 0 H ASN A 49 -0.943 17.754 0.373 1.00 0.00 H new ATOM 0 HA ASN A 49 0.172 16.274 2.657 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.916 15.355 1.249 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.348 14.831 0.669 1.00 0.00 H new ATOM 0 HD21 ASN A 49 2.751 16.093 -2.070 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.044 15.115 -0.628 1.00 0.00 H new ATOM 796 N TYR A 50 0.598 19.131 1.737 1.00 0.00 N ATOM 797 CA TYR A 50 1.338 20.383 1.914 1.00 0.00 C ATOM 798 C TYR A 50 1.862 20.451 3.338 1.00 0.00 C ATOM 799 O TYR A 50 1.094 20.287 4.282 1.00 0.00 O ATOM 800 CB TYR A 50 0.458 21.615 1.670 1.00 0.00 C ATOM 801 CG TYR A 50 -0.428 21.553 0.449 1.00 0.00 C ATOM 802 CD1 TYR A 50 0.087 21.655 -0.838 1.00 0.00 C ATOM 803 CD2 TYR A 50 -1.793 21.414 0.595 1.00 0.00 C ATOM 804 CE1 TYR A 50 -0.750 21.616 -1.941 1.00 0.00 C ATOM 805 CE2 TYR A 50 -2.633 21.378 -0.490 1.00 0.00 C ATOM 806 CZ TYR A 50 -2.111 21.478 -1.760 1.00 0.00 C ATOM 807 OH TYR A 50 -2.948 21.448 -2.853 1.00 0.00 O ATOM 0 H TYR A 50 -0.396 19.248 1.541 1.00 0.00 H new ATOM 0 HA TYR A 50 2.150 20.390 1.187 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -0.172 21.769 2.546 1.00 0.00 H new ATOM 0 HB3 TYR A 50 1.104 22.489 1.584 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.152 21.766 -0.980 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.211 21.331 1.587 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.340 21.693 -2.937 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.698 21.272 -0.348 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.875 21.345 -2.552 1.00 0.00 H new ATOM 817 N CYS A 51 3.155 20.714 3.485 1.00 0.00 N ATOM 818 CA CYS A 51 3.808 20.719 4.784 1.00 0.00 C ATOM 819 C CYS A 51 3.062 21.583 5.783 1.00 0.00 C ATOM 820 O CYS A 51 2.357 22.520 5.400 1.00 0.00 O ATOM 821 CB CYS A 51 5.233 21.229 4.644 1.00 0.00 C ATOM 822 SG CYS A 51 6.293 20.168 3.629 1.00 0.00 S ATOM 0 H CYS A 51 3.778 20.929 2.707 1.00 0.00 H new ATOM 0 HA CYS A 51 3.812 19.694 5.156 1.00 0.00 H new ATOM 0 HB2 CYS A 51 5.210 22.228 4.208 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.674 21.324 5.636 1.00 0.00 H new ATOM 827 N ARG A 52 3.240 21.279 7.059 1.00 0.00 N ATOM 828 CA ARG A 52 2.539 21.972 8.132 1.00 0.00 C ATOM 829 C ARG A 52 3.296 21.813 9.431 1.00 0.00 C ATOM 830 O ARG A 52 4.236 21.027 9.510 1.00 0.00 O ATOM 831 CB ARG A 52 1.119 21.417 8.320 1.00 0.00 C ATOM 832 CG ARG A 52 0.102 21.974 7.342 1.00 0.00 C ATOM 833 CD ARG A 52 0.249 23.480 7.231 1.00 0.00 C ATOM 834 NE ARG A 52 -0.868 24.110 6.543 1.00 0.00 N ATOM 835 CZ ARG A 52 -1.019 24.137 5.212 1.00 0.00 C ATOM 836 NH1 ARG A 52 -0.113 23.574 4.419 1.00 0.00 N ATOM 837 NH2 ARG A 52 -2.073 24.738 4.674 1.00 0.00 N ATOM 0 H ARG A 52 3.873 20.547 7.381 1.00 0.00 H new ATOM 0 HA ARG A 52 2.475 23.025 7.858 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.148 20.332 8.219 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.787 21.634 9.335 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.240 21.515 6.363 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.906 21.723 7.673 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.340 23.906 8.230 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.173 23.712 6.701 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.584 24.561 7.112 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.705 23.117 4.823 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.235 23.599 3.407 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.769 25.180 5.274 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.187 24.758 3.661 1.00 0.00 H new ATOM 851 N ASN A 53 2.903 22.561 10.446 1.00 0.00 N ATOM 852 CA ASN A 53 3.403 22.299 11.781 1.00 0.00 C ATOM 853 C ASN A 53 2.233 22.178 12.748 1.00 0.00 C ATOM 854 O ASN A 53 1.929 23.116 13.482 1.00 0.00 O ATOM 855 CB ASN A 53 4.371 23.386 12.256 1.00 0.00 C ATOM 856 CG ASN A 53 5.339 22.852 13.287 1.00 0.00 C ATOM 857 OD1 ASN A 53 5.093 21.810 13.898 1.00 0.00 O ATOM 858 ND2 ASN A 53 6.421 23.575 13.518 1.00 0.00 N ATOM 0 H ASN A 53 2.250 23.342 10.374 1.00 0.00 H new ATOM 0 HA ASN A 53 3.959 21.362 11.753 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.925 23.779 11.404 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.807 24.217 12.680 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.092 23.277 14.226 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.585 24.431 12.988 1.00 0.00 H new ATOM 865 N PRO A 54 1.550 21.017 12.750 1.00 0.00 N ATOM 866 CA PRO A 54 0.414 20.784 13.633 1.00 0.00 C ATOM 867 C PRO A 54 0.832 20.665 15.089 1.00 0.00 C ATOM 868 O PRO A 54 -0.001 20.708 15.991 1.00 0.00 O ATOM 869 CB PRO A 54 -0.208 19.483 13.129 1.00 0.00 C ATOM 870 CG PRO A 54 0.857 18.799 12.348 1.00 0.00 C ATOM 871 CD PRO A 54 1.829 19.858 11.886 1.00 0.00 C ATOM 0 HA PRO A 54 -0.287 21.618 13.609 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.543 18.862 13.960 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -1.081 19.682 12.508 1.00 0.00 H new ATOM 0 HG2 PRO A 54 1.364 18.054 12.961 1.00 0.00 H new ATOM 0 HG3 PRO A 54 0.429 18.272 11.495 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.861 19.523 11.992 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.680 20.102 10.834 1.00 0.00 H new ATOM 879 N ASP A 55 2.129 20.529 15.301 1.00 0.00 N ATOM 880 CA ASP A 55 2.690 20.502 16.643 1.00 0.00 C ATOM 881 C ASP A 55 3.167 21.887 17.015 1.00 0.00 C ATOM 882 O ASP A 55 3.192 22.274 18.182 1.00 0.00 O ATOM 883 CB ASP A 55 3.886 19.554 16.693 1.00 0.00 C ATOM 884 CG ASP A 55 4.178 19.066 18.096 1.00 0.00 C ATOM 885 OD1 ASP A 55 3.356 18.311 18.649 1.00 0.00 O ATOM 886 OD2 ASP A 55 5.242 19.422 18.642 1.00 0.00 O ATOM 0 H ASP A 55 2.819 20.435 14.556 1.00 0.00 H new ATOM 0 HA ASP A 55 1.921 20.163 17.337 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.695 18.698 16.046 1.00 0.00 H new ATOM 0 HB3 ASP A 55 4.766 20.062 16.298 1.00 0.00 H new ATOM 891 N GLY A 56 3.516 22.634 15.979 1.00 0.00 N ATOM 892 CA GLY A 56 4.248 23.859 16.144 1.00 0.00 C ATOM 893 C GLY A 56 5.583 23.590 16.782 1.00 0.00 C ATOM 894 O GLY A 56 6.045 24.358 17.625 1.00 0.00 O ATOM 0 H GLY A 56 3.297 22.402 15.010 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.391 24.338 15.175 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.676 24.552 16.761 1.00 0.00 H new ATOM 898 N ASP A 57 6.172 22.457 16.387 1.00 0.00 N ATOM 899 CA ASP A 57 7.526 22.097 16.789 1.00 0.00 C ATOM 900 C ASP A 57 8.447 23.289 16.650 1.00 0.00 C ATOM 901 O ASP A 57 8.460 23.939 15.600 1.00 0.00 O ATOM 902 CB ASP A 57 8.070 20.979 15.902 1.00 0.00 C ATOM 903 CG ASP A 57 9.263 20.278 16.518 1.00 0.00 C ATOM 904 OD1 ASP A 57 9.057 19.377 17.357 1.00 0.00 O ATOM 905 OD2 ASP A 57 10.410 20.624 16.170 1.00 0.00 O ATOM 0 H ASP A 57 5.722 21.770 15.782 1.00 0.00 H new ATOM 0 HA ASP A 57 7.487 21.766 17.827 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.281 20.251 15.716 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.356 21.393 14.935 1.00 0.00 H new ATOM 910 N VAL A 58 9.226 23.560 17.687 1.00 0.00 N ATOM 911 CA VAL A 58 10.151 24.687 17.680 1.00 0.00 C ATOM 912 C VAL A 58 11.385 24.358 16.833 1.00 0.00 C ATOM 913 O VAL A 58 12.512 24.751 17.145 1.00 0.00 O ATOM 914 CB VAL A 58 10.578 25.079 19.111 1.00 0.00 C ATOM 915 CG1 VAL A 58 11.166 26.482 19.135 1.00 0.00 C ATOM 916 CG2 VAL A 58 9.399 24.981 20.066 1.00 0.00 C ATOM 0 H VAL A 58 9.237 23.013 18.548 1.00 0.00 H new ATOM 0 HA VAL A 58 9.632 25.539 17.240 1.00 0.00 H new ATOM 0 HB VAL A 58 11.348 24.380 19.438 1.00 0.00 H new ATOM 0 HG11 VAL A 58 11.460 26.736 20.154 1.00 0.00 H new ATOM 0 HG12 VAL A 58 12.040 26.521 18.485 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.420 27.195 18.784 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.719 25.261 21.070 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.607 25.654 19.737 1.00 0.00 H new ATOM 0 HG23 VAL A 58 9.024 23.958 20.077 1.00 0.00 H new ATOM 926 N GLY A 59 11.161 23.589 15.781 1.00 0.00 N ATOM 927 CA GLY A 59 12.179 23.322 14.813 1.00 0.00 C ATOM 928 C GLY A 59 11.725 23.758 13.444 1.00 0.00 C ATOM 929 O GLY A 59 12.541 23.960 12.545 1.00 0.00 O ATOM 0 H GLY A 59 10.267 23.139 15.586 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.095 23.847 15.084 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.412 22.257 14.804 1.00 0.00 H new ATOM 933 N GLY A 60 10.410 23.907 13.280 1.00 0.00 N ATOM 934 CA GLY A 60 9.890 24.366 12.015 1.00 0.00 C ATOM 935 C GLY A 60 8.875 23.406 11.457 1.00 0.00 C ATOM 936 O GLY A 60 8.596 22.380 12.078 1.00 0.00 O ATOM 0 H GLY A 60 9.708 23.719 13.996 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.433 25.347 12.142 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.709 24.485 11.305 1.00 0.00 H new ATOM 940 N PRO A 61 8.302 23.698 10.285 1.00 0.00 N ATOM 941 CA PRO A 61 7.264 22.862 9.707 1.00 0.00 C ATOM 942 C PRO A 61 7.833 21.564 9.174 1.00 0.00 C ATOM 943 O PRO A 61 8.995 21.487 8.759 1.00 0.00 O ATOM 944 CB PRO A 61 6.708 23.715 8.577 1.00 0.00 C ATOM 945 CG PRO A 61 7.868 24.520 8.152 1.00 0.00 C ATOM 946 CD PRO A 61 8.633 24.836 9.413 1.00 0.00 C ATOM 0 HA PRO A 61 6.507 22.571 10.435 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.325 23.101 7.762 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.885 24.344 8.916 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.489 23.969 7.446 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.548 25.433 7.650 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.705 24.907 9.229 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.321 25.785 9.849 1.00 0.00 H new ATOM 954 N TRP A 62 6.995 20.566 9.164 1.00 0.00 N ATOM 955 CA TRP A 62 7.409 19.223 8.889 1.00 0.00 C ATOM 956 C TRP A 62 6.302 18.512 8.148 1.00 0.00 C ATOM 957 O TRP A 62 5.318 19.133 7.734 1.00 0.00 O ATOM 958 CB TRP A 62 7.706 18.502 10.205 1.00 0.00 C ATOM 959 CG TRP A 62 6.539 18.529 11.139 1.00 0.00 C ATOM 960 CD1 TRP A 62 6.114 19.590 11.864 1.00 0.00 C ATOM 961 CD2 TRP A 62 5.642 17.458 11.438 1.00 0.00 C ATOM 962 NE1 TRP A 62 4.998 19.253 12.584 1.00 0.00 N ATOM 963 CE2 TRP A 62 4.698 17.949 12.351 1.00 0.00 C ATOM 964 CE3 TRP A 62 5.546 16.138 11.025 1.00 0.00 C ATOM 965 CZ2 TRP A 62 3.670 17.172 12.856 1.00 0.00 C ATOM 966 CZ3 TRP A 62 4.526 15.359 11.527 1.00 0.00 C ATOM 967 CH2 TRP A 62 3.600 15.877 12.436 1.00 0.00 C ATOM 0 H TRP A 62 5.997 20.665 9.348 1.00 0.00 H new ATOM 0 HA TRP A 62 8.311 19.228 8.277 1.00 0.00 H new ATOM 0 HB2 TRP A 62 7.979 17.467 9.997 1.00 0.00 H new ATOM 0 HB3 TRP A 62 8.566 18.968 10.687 1.00 0.00 H new ATOM 0 HD1 TRP A 62 6.586 20.561 11.874 1.00 0.00 H new ATOM 0 HE1 TRP A 62 4.477 19.880 13.196 1.00 0.00 H new ATOM 0 HE3 TRP A 62 6.257 15.728 10.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 2.952 17.575 13.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 4.441 14.329 11.212 1.00 0.00 H new ATOM 0 HH2 TRP A 62 2.814 15.239 12.813 1.00 0.00 H new ATOM 978 N CYS A 63 6.473 17.225 7.984 1.00 0.00 N ATOM 979 CA CYS A 63 5.482 16.399 7.340 1.00 0.00 C ATOM 980 C CYS A 63 5.825 14.936 7.548 1.00 0.00 C ATOM 981 O CYS A 63 6.823 14.611 8.187 1.00 0.00 O ATOM 982 CB CYS A 63 5.408 16.730 5.852 1.00 0.00 C ATOM 983 SG CYS A 63 6.915 16.329 4.912 1.00 0.00 S ATOM 0 H CYS A 63 7.303 16.719 8.293 1.00 0.00 H new ATOM 0 HA CYS A 63 4.505 16.596 7.782 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.568 16.191 5.414 1.00 0.00 H new ATOM 0 HB3 CYS A 63 5.197 17.794 5.740 1.00 0.00 H new ATOM 988 N TYR A 64 4.998 14.062 7.012 1.00 0.00 N ATOM 989 CA TYR A 64 5.302 12.645 6.987 1.00 0.00 C ATOM 990 C TYR A 64 5.802 12.333 5.602 1.00 0.00 C ATOM 991 O TYR A 64 5.280 12.875 4.643 1.00 0.00 O ATOM 992 CB TYR A 64 4.074 11.811 7.346 1.00 0.00 C ATOM 993 CG TYR A 64 3.812 11.772 8.835 1.00 0.00 C ATOM 994 CD1 TYR A 64 4.670 11.088 9.678 1.00 0.00 C ATOM 995 CD2 TYR A 64 2.714 12.411 9.396 1.00 0.00 C ATOM 996 CE1 TYR A 64 4.451 11.038 11.038 1.00 0.00 C ATOM 997 CE2 TYR A 64 2.488 12.367 10.760 1.00 0.00 C ATOM 998 CZ TYR A 64 3.360 11.678 11.575 1.00 0.00 C ATOM 999 OH TYR A 64 3.139 11.623 12.932 1.00 0.00 O ATOM 0 H TYR A 64 4.105 14.309 6.585 1.00 0.00 H new ATOM 0 HA TYR A 64 6.060 12.396 7.730 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.201 12.220 6.838 1.00 0.00 H new ATOM 0 HB3 TYR A 64 4.210 10.794 6.978 1.00 0.00 H new ATOM 0 HD1 TYR A 64 5.529 10.583 9.262 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.028 12.949 8.759 1.00 0.00 H new ATOM 0 HE1 TYR A 64 5.133 10.499 11.678 1.00 0.00 H new ATOM 0 HE2 TYR A 64 1.632 12.870 11.184 1.00 0.00 H new ATOM 0 HH TYR A 64 3.996 11.545 13.400 1.00 0.00 H new ATOM 1009 N THR A 65 6.813 11.506 5.474 1.00 0.00 N ATOM 1010 CA THR A 65 7.447 11.344 4.185 1.00 0.00 C ATOM 1011 C THR A 65 6.906 10.104 3.506 1.00 0.00 C ATOM 1012 O THR A 65 6.515 9.150 4.175 1.00 0.00 O ATOM 1013 CB THR A 65 8.983 11.230 4.315 1.00 0.00 C ATOM 1014 OG1 THR A 65 9.361 9.866 4.552 1.00 0.00 O ATOM 1015 CG2 THR A 65 9.502 12.096 5.452 1.00 0.00 C ATOM 0 H THR A 65 7.208 10.945 6.229 1.00 0.00 H new ATOM 0 HA THR A 65 7.223 12.228 3.588 1.00 0.00 H new ATOM 0 HB THR A 65 9.422 11.577 3.380 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.377 9.694 5.517 1.00 0.00 H new ATOM 0 HG21 THR A 65 10.585 11.996 5.520 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.245 13.138 5.262 1.00 0.00 H new ATOM 0 HG23 THR A 65 9.048 11.775 6.390 1.00 0.00 H new ATOM 1023 N THR A 66 6.846 10.118 2.184 1.00 0.00 N ATOM 1024 CA THR A 66 6.560 8.905 1.446 1.00 0.00 C ATOM 1025 C THR A 66 7.830 8.055 1.302 1.00 0.00 C ATOM 1026 O THR A 66 7.923 7.186 0.433 1.00 0.00 O ATOM 1027 CB THR A 66 5.974 9.220 0.054 1.00 0.00 C ATOM 1028 OG1 THR A 66 6.820 10.150 -0.634 1.00 0.00 O ATOM 1029 CG2 THR A 66 4.569 9.799 0.168 1.00 0.00 C ATOM 0 H THR A 66 6.990 10.947 1.608 1.00 0.00 H new ATOM 0 HA THR A 66 5.815 8.342 2.008 1.00 0.00 H new ATOM 0 HB THR A 66 5.920 8.288 -0.508 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.641 10.105 -1.596 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.181 10.011 -0.828 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.918 9.080 0.665 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.601 10.721 0.749 1.00 0.00 H new ATOM 1037 N ASN A 67 8.796 8.312 2.177 1.00 0.00 N ATOM 1038 CA ASN A 67 10.088 7.639 2.156 1.00 0.00 C ATOM 1039 C ASN A 67 10.102 6.512 3.185 1.00 0.00 C ATOM 1040 O ASN A 67 9.951 6.760 4.379 1.00 0.00 O ATOM 1041 CB ASN A 67 11.187 8.658 2.481 1.00 0.00 C ATOM 1042 CG ASN A 67 12.591 8.125 2.348 1.00 0.00 C ATOM 1043 OD1 ASN A 67 12.832 6.923 2.399 1.00 0.00 O ATOM 1044 ND2 ASN A 67 13.537 9.035 2.221 1.00 0.00 N ATOM 0 H ASN A 67 8.703 8.998 2.926 1.00 0.00 H new ATOM 0 HA ASN A 67 10.265 7.213 1.168 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.074 9.518 1.821 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.043 9.017 3.500 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.514 8.750 2.161 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.291 10.024 2.183 1.00 0.00 H new ATOM 1051 N PRO A 68 10.294 5.260 2.746 1.00 0.00 N ATOM 1052 CA PRO A 68 10.273 4.088 3.634 1.00 0.00 C ATOM 1053 C PRO A 68 11.425 4.062 4.638 1.00 0.00 C ATOM 1054 O PRO A 68 11.531 3.147 5.455 1.00 0.00 O ATOM 1055 CB PRO A 68 10.376 2.893 2.674 1.00 0.00 C ATOM 1056 CG PRO A 68 10.086 3.445 1.320 1.00 0.00 C ATOM 1057 CD PRO A 68 10.538 4.875 1.349 1.00 0.00 C ATOM 0 HA PRO A 68 9.374 4.086 4.250 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.369 2.444 2.711 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.663 2.113 2.941 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.615 2.885 0.549 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.023 3.377 1.091 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.589 4.973 1.079 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.971 5.494 0.653 1.00 0.00 H new ATOM 1065 N ARG A 69 12.281 5.062 4.579 1.00 0.00 N ATOM 1066 CA ARG A 69 13.395 5.162 5.499 1.00 0.00 C ATOM 1067 C ARG A 69 12.982 5.829 6.801 1.00 0.00 C ATOM 1068 O ARG A 69 13.346 5.375 7.884 1.00 0.00 O ATOM 1069 CB ARG A 69 14.516 5.953 4.851 1.00 0.00 C ATOM 1070 CG ARG A 69 15.208 5.205 3.730 1.00 0.00 C ATOM 1071 CD ARG A 69 15.662 3.829 4.184 1.00 0.00 C ATOM 1072 NE ARG A 69 16.424 3.890 5.432 1.00 0.00 N ATOM 1073 CZ ARG A 69 16.990 2.830 6.006 1.00 0.00 C ATOM 1074 NH1 ARG A 69 16.829 1.621 5.476 1.00 0.00 N ATOM 1075 NH2 ARG A 69 17.692 2.976 7.125 1.00 0.00 N ATOM 0 H ARG A 69 12.225 5.821 3.899 1.00 0.00 H new ATOM 0 HA ARG A 69 13.737 4.154 5.732 1.00 0.00 H new ATOM 0 HB2 ARG A 69 14.113 6.887 4.460 1.00 0.00 H new ATOM 0 HB3 ARG A 69 15.252 6.216 5.611 1.00 0.00 H new ATOM 0 HG2 ARG A 69 14.529 5.105 2.883 1.00 0.00 H new ATOM 0 HG3 ARG A 69 16.068 5.778 3.384 1.00 0.00 H new ATOM 0 HD2 ARG A 69 14.792 3.187 4.321 1.00 0.00 H new ATOM 0 HD3 ARG A 69 16.275 3.374 3.406 1.00 0.00 H new ATOM 0 HE ARG A 69 16.527 4.796 5.888 1.00 0.00 H new ATOM 0 HH11 ARG A 69 16.272 1.505 4.629 1.00 0.00 H new ATOM 0 HH12 ARG A 69 17.263 0.809 5.916 1.00 0.00 H new ATOM 0 HH21 ARG A 69 17.797 3.900 7.544 1.00 0.00 H new ATOM 0 HH22 ARG A 69 18.126 2.164 7.565 1.00 0.00 H new ATOM 1089 N LYS A 70 12.213 6.898 6.692 1.00 0.00 N ATOM 1090 CA LYS A 70 11.818 7.668 7.857 1.00 0.00 C ATOM 1091 C LYS A 70 10.338 8.008 7.791 1.00 0.00 C ATOM 1092 O LYS A 70 9.766 8.165 6.715 1.00 0.00 O ATOM 1093 CB LYS A 70 12.660 8.948 7.975 1.00 0.00 C ATOM 1094 CG LYS A 70 12.553 9.890 6.782 1.00 0.00 C ATOM 1095 CD LYS A 70 13.610 9.578 5.741 1.00 0.00 C ATOM 1096 CE LYS A 70 15.002 9.969 6.221 1.00 0.00 C ATOM 1097 NZ LYS A 70 15.198 11.444 6.230 1.00 0.00 N ATOM 0 H LYS A 70 11.850 7.252 5.807 1.00 0.00 H new ATOM 0 HA LYS A 70 11.995 7.061 8.745 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.357 9.485 8.874 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.705 8.669 8.108 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.562 9.804 6.335 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.663 10.921 7.118 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.590 8.513 5.509 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.380 10.110 4.818 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.162 9.576 7.225 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.750 9.508 5.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.179 11.662 6.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.005 11.826 5.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.547 11.876 6.916 1.00 0.00 H new ATOM 1111 N LEU A 71 9.731 8.119 8.959 1.00 0.00 N ATOM 1112 CA LEU A 71 8.296 8.351 9.073 1.00 0.00 C ATOM 1113 C LEU A 71 7.976 9.812 8.825 1.00 0.00 C ATOM 1114 O LEU A 71 7.038 10.136 8.096 1.00 0.00 O ATOM 1115 CB LEU A 71 7.813 7.927 10.468 1.00 0.00 C ATOM 1116 CG LEU A 71 6.322 8.137 10.752 1.00 0.00 C ATOM 1117 CD1 LEU A 71 5.469 7.186 9.927 1.00 0.00 C ATOM 1118 CD2 LEU A 71 6.035 7.959 12.236 1.00 0.00 C ATOM 0 H LEU A 71 10.214 8.052 9.855 1.00 0.00 H new ATOM 0 HA LEU A 71 7.779 7.755 8.321 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.044 6.871 10.606 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.386 8.479 11.213 1.00 0.00 H new ATOM 0 HG LEU A 71 6.063 9.156 10.465 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.416 7.357 10.149 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.650 7.362 8.867 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.729 6.157 10.174 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.972 8.111 12.422 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.316 6.952 12.543 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.611 8.686 12.808 1.00 0.00 H new ATOM 1130 N TYR A 72 8.780 10.688 9.394 1.00 0.00 N ATOM 1131 CA TYR A 72 8.551 12.111 9.262 1.00 0.00 C ATOM 1132 C TYR A 72 9.881 12.838 9.152 1.00 0.00 C ATOM 1133 O TYR A 72 10.935 12.284 9.470 1.00 0.00 O ATOM 1134 CB TYR A 72 7.757 12.647 10.463 1.00 0.00 C ATOM 1135 CG TYR A 72 8.576 12.802 11.726 1.00 0.00 C ATOM 1136 CD1 TYR A 72 8.795 11.729 12.580 1.00 0.00 C ATOM 1137 CD2 TYR A 72 9.141 14.028 12.055 1.00 0.00 C ATOM 1138 CE1 TYR A 72 9.553 11.876 13.726 1.00 0.00 C ATOM 1139 CE2 TYR A 72 9.902 14.181 13.193 1.00 0.00 C ATOM 1140 CZ TYR A 72 10.106 13.102 14.027 1.00 0.00 C ATOM 1141 OH TYR A 72 10.872 13.248 15.162 1.00 0.00 O ATOM 0 H TYR A 72 9.597 10.439 9.952 1.00 0.00 H new ATOM 0 HA TYR A 72 7.968 12.287 8.358 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.329 13.614 10.199 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.924 11.974 10.664 1.00 0.00 H new ATOM 0 HD1 TYR A 72 8.367 10.766 12.345 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.981 14.877 11.407 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.711 11.034 14.383 1.00 0.00 H new ATOM 0 HE2 TYR A 72 10.336 15.141 13.431 1.00 0.00 H new ATOM 0 HH TYR A 72 11.188 14.174 15.227 1.00 0.00 H new ATOM 1151 N ASP A 73 9.817 14.070 8.695 1.00 0.00 N ATOM 1152 CA ASP A 73 10.997 14.913 8.573 1.00 0.00 C ATOM 1153 C ASP A 73 10.553 16.361 8.528 1.00 0.00 C ATOM 1154 O ASP A 73 9.362 16.637 8.553 1.00 0.00 O ATOM 1155 CB ASP A 73 11.779 14.571 7.299 1.00 0.00 C ATOM 1156 CG ASP A 73 13.275 14.566 7.522 1.00 0.00 C ATOM 1157 OD1 ASP A 73 13.844 15.638 7.807 1.00 0.00 O ATOM 1158 OD2 ASP A 73 13.884 13.474 7.433 1.00 0.00 O ATOM 0 H ASP A 73 8.951 14.519 8.397 1.00 0.00 H new ATOM 0 HA ASP A 73 11.651 14.744 9.428 1.00 0.00 H new ATOM 0 HB2 ASP A 73 11.466 13.592 6.936 1.00 0.00 H new ATOM 0 HB3 ASP A 73 11.533 15.293 6.521 1.00 0.00 H new ATOM 1163 N TYR A 74 11.496 17.278 8.447 1.00 0.00 N ATOM 1164 CA TYR A 74 11.163 18.693 8.355 1.00 0.00 C ATOM 1165 C TYR A 74 11.114 19.103 6.898 1.00 0.00 C ATOM 1166 O TYR A 74 11.699 18.438 6.048 1.00 0.00 O ATOM 1167 CB TYR A 74 12.194 19.553 9.089 1.00 0.00 C ATOM 1168 CG TYR A 74 12.138 19.437 10.600 1.00 0.00 C ATOM 1169 CD1 TYR A 74 12.805 18.413 11.256 1.00 0.00 C ATOM 1170 CD2 TYR A 74 11.434 20.362 11.374 1.00 0.00 C ATOM 1171 CE1 TYR A 74 12.780 18.310 12.633 1.00 0.00 C ATOM 1172 CE2 TYR A 74 11.401 20.262 12.750 1.00 0.00 C ATOM 1173 CZ TYR A 74 12.075 19.236 13.375 1.00 0.00 C ATOM 1174 OH TYR A 74 12.062 19.148 14.752 1.00 0.00 O ATOM 0 H TYR A 74 12.495 17.075 8.443 1.00 0.00 H new ATOM 0 HA TYR A 74 10.191 18.848 8.823 1.00 0.00 H new ATOM 0 HB2 TYR A 74 13.191 19.272 8.751 1.00 0.00 H new ATOM 0 HB3 TYR A 74 12.045 20.596 8.810 1.00 0.00 H new ATOM 0 HD1 TYR A 74 13.354 17.683 10.680 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.907 21.169 10.888 1.00 0.00 H new ATOM 0 HE1 TYR A 74 13.310 17.509 13.127 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.850 20.984 13.334 1.00 0.00 H new ATOM 0 HH TYR A 74 11.270 19.607 15.102 1.00 0.00 H new ATOM 1184 N CYS A 75 10.412 20.187 6.611 1.00 0.00 N ATOM 1185 CA CYS A 75 10.300 20.681 5.245 1.00 0.00 C ATOM 1186 C CYS A 75 11.163 21.911 5.033 1.00 0.00 C ATOM 1187 O CYS A 75 11.615 22.546 5.986 1.00 0.00 O ATOM 1188 CB CYS A 75 8.856 21.021 4.905 1.00 0.00 C ATOM 1189 SG CYS A 75 7.731 19.604 4.938 1.00 0.00 S ATOM 0 H CYS A 75 9.911 20.743 7.304 1.00 0.00 H new ATOM 0 HA CYS A 75 10.647 19.885 4.587 1.00 0.00 H new ATOM 0 HB2 CYS A 75 8.496 21.772 5.608 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.825 21.472 3.913 1.00 0.00 H new ATOM 1194 N ASP A 76 11.352 22.260 3.774 1.00 0.00 N ATOM 1195 CA ASP A 76 12.204 23.377 3.407 1.00 0.00 C ATOM 1196 C ASP A 76 11.362 24.535 2.887 1.00 0.00 C ATOM 1197 O ASP A 76 11.480 24.950 1.734 1.00 0.00 O ATOM 1198 CB ASP A 76 13.232 22.936 2.359 1.00 0.00 C ATOM 1199 CG ASP A 76 14.228 24.027 2.007 1.00 0.00 C ATOM 1200 OD1 ASP A 76 14.841 24.606 2.926 1.00 0.00 O ATOM 1201 OD2 ASP A 76 14.424 24.292 0.803 1.00 0.00 O ATOM 0 H ASP A 76 10.923 21.782 2.982 1.00 0.00 H new ATOM 0 HA ASP A 76 12.741 23.717 4.292 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.772 22.066 2.732 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.709 22.624 1.455 1.00 0.00 H new ATOM 1206 N VAL A 77 10.476 25.026 3.737 1.00 0.00 N ATOM 1207 CA VAL A 77 9.686 26.197 3.414 1.00 0.00 C ATOM 1208 C VAL A 77 10.209 27.415 4.167 1.00 0.00 C ATOM 1209 O VAL A 77 10.408 27.376 5.382 1.00 0.00 O ATOM 1210 CB VAL A 77 8.183 25.978 3.703 1.00 0.00 C ATOM 1211 CG1 VAL A 77 7.953 25.424 5.090 1.00 0.00 C ATOM 1212 CG2 VAL A 77 7.400 27.261 3.507 1.00 0.00 C ATOM 0 H VAL A 77 10.287 24.629 4.657 1.00 0.00 H new ATOM 0 HA VAL A 77 9.785 26.376 2.343 1.00 0.00 H new ATOM 0 HB VAL A 77 7.822 25.239 2.988 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.884 25.285 5.254 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.463 24.466 5.188 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.345 26.121 5.830 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.346 27.080 3.717 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.779 28.026 4.185 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.512 27.602 2.478 1.00 0.00 H new ATOM 1222 N PRO A 78 10.455 28.498 3.422 1.00 0.00 N ATOM 1223 CA PRO A 78 11.027 29.745 3.947 1.00 0.00 C ATOM 1224 C PRO A 78 10.167 30.416 4.992 1.00 0.00 C ATOM 1225 O PRO A 78 8.970 30.144 5.124 1.00 0.00 O ATOM 1226 CB PRO A 78 11.125 30.638 2.704 1.00 0.00 C ATOM 1227 CG PRO A 78 10.144 30.059 1.740 1.00 0.00 C ATOM 1228 CD PRO A 78 10.197 28.586 1.975 1.00 0.00 C ATOM 0 HA PRO A 78 11.975 29.557 4.451 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.882 31.674 2.941 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.134 30.633 2.292 1.00 0.00 H new ATOM 0 HG2 PRO A 78 9.142 30.451 1.913 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.409 30.305 0.712 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.262 28.098 1.700 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.987 28.111 1.393 1.00 0.00 H new ATOM 1236 N GLN A 79 10.810 31.297 5.731 1.00 0.00 N ATOM 1237 CA GLN A 79 10.158 32.047 6.770 1.00 0.00 C ATOM 1238 C GLN A 79 9.302 33.154 6.170 1.00 0.00 C ATOM 1239 O GLN A 79 9.814 34.124 5.614 1.00 0.00 O ATOM 1240 CB GLN A 79 11.193 32.624 7.737 1.00 0.00 C ATOM 1241 CG GLN A 79 10.572 33.447 8.833 1.00 0.00 C ATOM 1242 CD GLN A 79 9.563 32.650 9.615 1.00 0.00 C ATOM 1243 OE1 GLN A 79 8.549 33.189 10.036 1.00 0.00 O ATOM 1244 NE2 GLN A 79 9.829 31.358 9.795 1.00 0.00 N ATOM 0 H GLN A 79 11.802 31.509 5.623 1.00 0.00 H new ATOM 0 HA GLN A 79 9.504 31.376 7.328 1.00 0.00 H new ATOM 0 HB2 GLN A 79 11.764 31.808 8.181 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.899 33.241 7.181 1.00 0.00 H new ATOM 0 HG2 GLN A 79 11.351 33.809 9.504 1.00 0.00 H new ATOM 0 HG3 GLN A 79 10.090 34.324 8.402 1.00 0.00 H new ATOM 0 HE21 GLN A 79 10.690 30.958 9.423 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.171 30.768 10.305 1.00 0.00 H new ATOM 1253 N CYS A 80 7.997 32.985 6.289 1.00 0.00 N ATOM 1254 CA CYS A 80 7.040 33.940 5.770 1.00 0.00 C ATOM 1255 C CYS A 80 7.010 35.158 6.674 1.00 0.00 C ATOM 1256 O CYS A 80 6.916 36.294 6.215 1.00 0.00 O ATOM 1257 CB CYS A 80 5.650 33.308 5.707 1.00 0.00 C ATOM 1258 SG CYS A 80 4.663 33.764 4.247 1.00 0.00 S ATOM 0 H CYS A 80 7.573 32.180 6.749 1.00 0.00 H new ATOM 0 HA CYS A 80 7.336 34.238 4.764 1.00 0.00 H new ATOM 0 HB2 CYS A 80 5.759 32.224 5.729 1.00 0.00 H new ATOM 0 HB3 CYS A 80 5.098 33.591 6.603 1.00 0.00 H new ATOM 1263 N ALA A 81 7.107 34.908 7.971 1.00 0.00 N ATOM 1264 CA ALA A 81 7.120 35.985 8.951 1.00 0.00 C ATOM 1265 C ALA A 81 8.548 36.446 9.219 1.00 0.00 C ATOM 1266 O ALA A 81 9.053 36.330 10.335 1.00 0.00 O ATOM 1267 CB ALA A 81 6.454 35.541 10.243 1.00 0.00 C ATOM 0 H ALA A 81 7.178 33.972 8.369 1.00 0.00 H new ATOM 0 HA ALA A 81 6.556 36.825 8.545 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.474 36.360 10.963 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.420 35.260 10.042 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.990 34.685 10.653 1.00 0.00 H new ATOM 1273 N ALA A 82 9.198 36.957 8.185 1.00 0.00 N ATOM 1274 CA ALA A 82 10.558 37.452 8.313 1.00 0.00 C ATOM 1275 C ALA A 82 10.655 38.870 7.775 1.00 0.00 C ATOM 1276 O ALA A 82 10.980 39.031 6.581 1.00 0.00 O ATOM 1277 CB ALA A 82 11.529 36.537 7.581 1.00 0.00 C ATOM 1278 OXT ALA A 82 10.368 39.817 8.535 1.00 0.00 O ATOM 0 H ALA A 82 8.805 37.039 7.248 1.00 0.00 H new ATOM 0 HA ALA A 82 10.826 37.462 9.369 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.543 36.923 7.687 1.00 0.00 H new ATOM 0 HB2 ALA A 82 11.476 35.535 8.006 1.00 0.00 H new ATOM 0 HB3 ALA A 82 11.265 36.497 6.524 1.00 0.00 H new TER 1284 ALA A 82