USER MOD reduce.3.24.130724 H: found=0, std=0, add=988, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 986 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 123 GLN : amide:sc= -0.198 X(o=-1.1,f=-1.4!) USER MOD Set 1.2: A 127 ASN : amide:sc= -0.907 X(o=-1.1,f=-1.4) USER MOD Set 2.1: A 66 ASN : amide:sc= -5.03! C(o=-13!,f=-15!) USER MOD Set 2.2: A 75 ASN : amide:sc= -7.51! C(o=-13!,f=-9.1!) USER MOD Set 3.1: A 44 ASN : amide:sc= 0 X(o=-2.1,f=-2.1) USER MOD Set 3.2: A 46 ASN : amide:sc= -2.15! C(o=-2.1!,f=-2.1!) USER MOD Set 4.1: A 33 GLN : amide:sc= -1.9 K(o=-6.1,f=-2.3) USER MOD Set 4.2: A 37 ASN : amide:sc= -4.21 K(o=-6.1,f=-2.3) USER MOD Set 5.1: A 15 ASN : amide:sc= -0.344 X(o=-0.34,f=-0.016) USER MOD Set 5.2: A 90 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 3 TYR OH : rot 180:sc= 0 USER MOD Set 6.2: A 11 THR OG1 : rot -140:sc= -0.319 USER MOD Set 7.1: A 1 LYS N :NH3+ -163:sc= -1.05 (180deg=-2.32!) USER MOD Set 7.2: A 40 THR OG1 : rot 67:sc= 0.396! USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 138:sc= -3.18 (180deg=-3.36!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -3.11! C(o=-3.1!,f=-3.2!) USER MOD Single : A 36 SER OG : rot -112:sc= 0.158 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -3.39 K(o=-3.4,f=-7!) USER MOD Single : A 43 THR OG1 : rot -91:sc= 0.949 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.925 X(o=-0.93,f=-1.1) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= -1.5! USER MOD Single : A 54 TYR OH : rot 132:sc= -4.06! USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -1.75 K(o=-1.7,f=-0.38) USER MOD Single : A 61 SER OG : rot 96:sc= 0.878 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.165 K(o=-0.16,f=-0.99) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= -1.6 K(o=-1.6,f=-3.5!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.0159 X(o=-0.016,f=-0.14) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 117 GLN : amide:sc=-0.00781 X(o=-0.0078,f=-0.15) USER MOD Single : A 118 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -3.884 8.220 6.706 1.00 0.00 N ATOM 2 CA LYS A 1 -4.442 8.250 8.047 1.00 0.00 C ATOM 3 C LYS A 1 -3.563 7.414 8.980 1.00 0.00 C ATOM 4 O LYS A 1 -2.339 7.427 8.862 1.00 0.00 O ATOM 5 CB LYS A 1 -5.908 7.813 8.027 1.00 0.00 C ATOM 6 CG LYS A 1 -6.723 8.578 9.072 1.00 0.00 C ATOM 7 CD LYS A 1 -6.988 10.014 8.617 1.00 0.00 C ATOM 8 CE LYS A 1 -6.512 11.021 9.666 1.00 0.00 C ATOM 9 NZ LYS A 1 -7.153 12.336 9.452 1.00 0.00 N ATOM 0 H1 LYS A 1 -4.290 8.995 6.143 1.00 0.00 H new ATOM 0 H2 LYS A 1 -2.852 8.334 6.757 1.00 0.00 H new ATOM 0 H3 LYS A 1 -4.110 7.310 6.256 1.00 0.00 H new ATOM 0 HA LYS A 1 -4.442 9.268 8.437 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -6.329 7.984 7.036 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.975 6.742 8.221 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -7.670 8.067 9.245 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -6.187 8.587 10.021 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -6.477 10.200 7.672 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -8.054 10.150 8.435 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -6.748 10.653 10.665 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -5.428 11.125 9.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -6.818 13.007 10.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -6.907 12.692 8.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -8.185 12.235 9.526 1.00 0.00 H new ATOM 23 N VAL A 2 -4.223 6.705 9.885 1.00 0.00 N ATOM 24 CA VAL A 2 -3.518 5.865 10.837 1.00 0.00 C ATOM 25 C VAL A 2 -4.004 4.421 10.694 1.00 0.00 C ATOM 26 O VAL A 2 -5.196 4.180 10.512 1.00 0.00 O ATOM 27 CB VAL A 2 -3.692 6.418 12.253 1.00 0.00 C ATOM 28 CG1 VAL A 2 -5.052 6.022 12.832 1.00 0.00 C ATOM 29 CG2 VAL A 2 -2.552 5.959 13.165 1.00 0.00 C ATOM 0 H VAL A 2 -5.239 6.696 9.978 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.448 5.869 10.631 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.656 7.506 12.195 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -5.151 6.427 13.839 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -5.846 6.421 12.201 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -5.129 4.935 12.869 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.700 6.366 14.165 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -2.541 4.870 13.214 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -1.602 6.314 12.766 1.00 0.00 H new ATOM 39 N TYR A 3 -3.056 3.500 10.783 1.00 0.00 N ATOM 40 CA TYR A 3 -3.373 2.087 10.666 1.00 0.00 C ATOM 41 C TYR A 3 -2.203 1.221 11.138 1.00 0.00 C ATOM 42 O TYR A 3 -1.091 1.342 10.625 1.00 0.00 O ATOM 43 CB TYR A 3 -3.614 1.830 9.177 1.00 0.00 C ATOM 44 CG TYR A 3 -5.091 1.831 8.777 1.00 0.00 C ATOM 45 CD1 TYR A 3 -5.840 0.677 8.897 1.00 0.00 C ATOM 46 CD2 TYR A 3 -5.674 2.985 8.294 1.00 0.00 C ATOM 47 CE1 TYR A 3 -7.230 0.679 8.520 1.00 0.00 C ATOM 48 CE2 TYR A 3 -7.064 2.986 7.917 1.00 0.00 C ATOM 49 CZ TYR A 3 -7.773 1.833 8.049 1.00 0.00 C ATOM 50 OH TYR A 3 -9.085 1.833 7.692 1.00 0.00 O ATOM 0 H TYR A 3 -2.068 3.705 10.935 1.00 0.00 H new ATOM 0 HA TYR A 3 -4.239 1.837 11.279 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -3.091 2.591 8.598 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -3.176 0.868 8.909 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -5.384 -0.227 9.273 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -5.088 3.887 8.199 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -7.828 -0.216 8.609 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -7.533 3.882 7.538 1.00 0.00 H new ATOM 0 HH TYR A 3 -9.338 2.725 7.375 1.00 0.00 H new ATOM 60 N GLU A 4 -2.493 0.369 12.110 1.00 0.00 N ATOM 61 CA GLU A 4 -1.480 -0.517 12.657 1.00 0.00 C ATOM 62 C GLU A 4 -1.676 -1.939 12.129 1.00 0.00 C ATOM 63 O GLU A 4 -2.713 -2.251 11.546 1.00 0.00 O ATOM 64 CB GLU A 4 -1.496 -0.492 14.186 1.00 0.00 C ATOM 65 CG GLU A 4 -2.705 -1.253 14.734 1.00 0.00 C ATOM 66 CD GLU A 4 -2.649 -1.347 16.260 1.00 0.00 C ATOM 67 OE1 GLU A 4 -2.916 -0.309 16.903 1.00 0.00 O ATOM 68 OE2 GLU A 4 -2.340 -2.455 16.749 1.00 0.00 O ATOM 0 H GLU A 4 -3.416 0.273 12.533 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.502 -0.162 12.332 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.578 -0.936 14.570 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.522 0.540 14.536 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.623 -0.750 14.431 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.733 -2.255 14.305 1.00 0.00 H new ATOM 75 N ARG A 5 -0.664 -2.765 12.353 1.00 0.00 N ATOM 76 CA ARG A 5 -0.713 -4.147 11.908 1.00 0.00 C ATOM 77 C ARG A 5 -2.119 -4.719 12.104 1.00 0.00 C ATOM 78 O ARG A 5 -2.750 -5.166 11.148 1.00 0.00 O ATOM 79 CB ARG A 5 0.293 -5.008 12.674 1.00 0.00 C ATOM 80 CG ARG A 5 0.231 -4.718 14.174 1.00 0.00 C ATOM 81 CD ARG A 5 1.602 -4.916 14.828 1.00 0.00 C ATOM 82 NE ARG A 5 1.458 -5.701 16.074 1.00 0.00 N ATOM 83 CZ ARG A 5 2.469 -6.337 16.682 1.00 0.00 C ATOM 84 NH1 ARG A 5 3.703 -6.286 16.161 1.00 0.00 N ATOM 85 NH2 ARG A 5 2.248 -7.025 17.810 1.00 0.00 N ATOM 0 H ARG A 5 0.195 -2.503 12.837 1.00 0.00 H new ATOM 0 HA ARG A 5 -0.456 -4.164 10.849 1.00 0.00 H new ATOM 0 HB2 ARG A 5 0.085 -6.063 12.495 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.300 -4.814 12.304 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -0.109 -3.695 14.337 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.499 -5.376 14.645 1.00 0.00 H new ATOM 0 HD2 ARG A 5 2.272 -5.431 14.139 1.00 0.00 H new ATOM 0 HD3 ARG A 5 2.053 -3.948 15.048 1.00 0.00 H new ATOM 0 HE ARG A 5 0.532 -5.762 16.497 1.00 0.00 H new ATOM 0 HH11 ARG A 5 3.873 -5.763 15.302 1.00 0.00 H new ATOM 0 HH12 ARG A 5 4.472 -6.770 16.624 1.00 0.00 H new ATOM 0 HH21 ARG A 5 1.309 -7.065 18.207 1.00 0.00 H new ATOM 0 HH22 ARG A 5 3.018 -7.509 18.272 1.00 0.00 H new ATOM 99 N CYS A 6 -2.567 -4.685 13.351 1.00 0.00 N ATOM 100 CA CYS A 6 -3.885 -5.195 13.685 1.00 0.00 C ATOM 101 C CYS A 6 -4.907 -4.522 12.766 1.00 0.00 C ATOM 102 O CYS A 6 -5.387 -5.134 11.813 1.00 0.00 O ATOM 103 CB CYS A 6 -4.218 -4.978 15.163 1.00 0.00 C ATOM 104 SG CYS A 6 -4.390 -6.513 16.144 1.00 0.00 S ATOM 0 H CYS A 6 -2.041 -4.312 14.141 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.911 -6.273 13.529 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -3.437 -4.363 15.610 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.148 -4.413 15.232 1.00 0.00 H new ATOM 109 N GLU A 7 -5.210 -3.273 13.085 1.00 0.00 N ATOM 110 CA GLU A 7 -6.167 -2.511 12.301 1.00 0.00 C ATOM 111 C GLU A 7 -6.047 -2.874 10.819 1.00 0.00 C ATOM 112 O GLU A 7 -6.978 -3.426 10.234 1.00 0.00 O ATOM 113 CB GLU A 7 -5.977 -1.008 12.514 1.00 0.00 C ATOM 114 CG GLU A 7 -7.005 -0.461 13.507 1.00 0.00 C ATOM 115 CD GLU A 7 -6.386 -0.290 14.897 1.00 0.00 C ATOM 116 OE1 GLU A 7 -6.406 -1.286 15.652 1.00 0.00 O ATOM 117 OE2 GLU A 7 -5.909 0.832 15.172 1.00 0.00 O ATOM 0 H GLU A 7 -4.810 -2.769 13.876 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.171 -2.768 12.638 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.970 -0.814 12.883 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -6.073 -0.487 11.561 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.384 0.498 13.153 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.857 -1.139 13.565 1.00 0.00 H new ATOM 124 N PHE A 8 -4.893 -2.550 10.255 1.00 0.00 N ATOM 125 CA PHE A 8 -4.639 -2.835 8.853 1.00 0.00 C ATOM 126 C PHE A 8 -5.191 -4.208 8.464 1.00 0.00 C ATOM 127 O PHE A 8 -5.990 -4.320 7.536 1.00 0.00 O ATOM 128 CB PHE A 8 -3.120 -2.837 8.665 1.00 0.00 C ATOM 129 CG PHE A 8 -2.670 -2.487 7.246 1.00 0.00 C ATOM 130 CD1 PHE A 8 -2.949 -1.262 6.725 1.00 0.00 C ATOM 131 CD2 PHE A 8 -1.988 -3.402 6.504 1.00 0.00 C ATOM 132 CE1 PHE A 8 -2.530 -0.937 5.408 1.00 0.00 C ATOM 133 CE2 PHE A 8 -1.570 -3.077 5.186 1.00 0.00 C ATOM 134 CZ PHE A 8 -1.849 -1.852 4.666 1.00 0.00 C ATOM 0 H PHE A 8 -4.123 -2.093 10.744 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.125 -2.087 8.227 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.677 -2.126 9.362 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.733 -3.822 8.926 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.490 -0.536 7.314 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -1.765 -4.375 6.917 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -2.752 0.036 4.995 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.030 -3.803 4.597 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.530 -1.605 3.664 1.00 0.00 H new ATOM 144 N ALA A 9 -4.741 -5.219 9.194 1.00 0.00 N ATOM 145 CA ALA A 9 -5.180 -6.580 8.937 1.00 0.00 C ATOM 146 C ALA A 9 -6.708 -6.637 8.982 1.00 0.00 C ATOM 147 O ALA A 9 -7.344 -7.091 8.033 1.00 0.00 O ATOM 148 CB ALA A 9 -4.532 -7.526 9.950 1.00 0.00 C ATOM 0 H ALA A 9 -4.077 -5.122 9.963 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.867 -6.902 7.944 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.862 -8.547 9.757 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.447 -7.471 9.857 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.825 -7.235 10.959 1.00 0.00 H new ATOM 154 N ARG A 10 -7.253 -6.168 10.096 1.00 0.00 N ATOM 155 CA ARG A 10 -8.694 -6.159 10.277 1.00 0.00 C ATOM 156 C ARG A 10 -9.382 -5.572 9.042 1.00 0.00 C ATOM 157 O ARG A 10 -10.188 -6.242 8.399 1.00 0.00 O ATOM 158 CB ARG A 10 -9.089 -5.341 11.509 1.00 0.00 C ATOM 159 CG ARG A 10 -10.509 -5.685 11.963 1.00 0.00 C ATOM 160 CD ARG A 10 -10.486 -6.667 13.137 1.00 0.00 C ATOM 161 NE ARG A 10 -11.827 -7.264 13.323 1.00 0.00 N ATOM 162 CZ ARG A 10 -12.219 -7.898 14.436 1.00 0.00 C ATOM 163 NH1 ARG A 10 -11.376 -8.021 15.470 1.00 0.00 N ATOM 164 NH2 ARG A 10 -13.456 -8.410 14.516 1.00 0.00 N ATOM 0 H ARG A 10 -6.722 -5.792 10.881 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.016 -7.190 10.420 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.387 -5.536 12.320 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.024 -4.277 11.280 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.032 -4.774 12.256 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.065 -6.119 11.132 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.752 -7.451 12.952 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.179 -6.152 14.047 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.495 -7.188 12.556 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.435 -7.632 15.410 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.675 -8.504 16.317 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -14.098 -8.317 13.729 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.754 -8.893 15.364 1.00 0.00 H new ATOM 178 N THR A 11 -9.037 -4.327 8.748 1.00 0.00 N ATOM 179 CA THR A 11 -9.610 -3.642 7.602 1.00 0.00 C ATOM 180 C THR A 11 -9.436 -4.485 6.337 1.00 0.00 C ATOM 181 O THR A 11 -10.413 -4.810 5.664 1.00 0.00 O ATOM 182 CB THR A 11 -8.964 -2.260 7.504 1.00 0.00 C ATOM 183 OG1 THR A 11 -9.606 -1.504 8.527 1.00 0.00 O ATOM 184 CG2 THR A 11 -9.334 -1.529 6.212 1.00 0.00 C ATOM 0 H THR A 11 -8.368 -3.775 9.284 1.00 0.00 H new ATOM 0 HA THR A 11 -10.685 -3.505 7.720 1.00 0.00 H new ATOM 0 HB THR A 11 -7.880 -2.361 7.565 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.782 -0.596 8.202 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.848 -0.553 6.194 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.003 -2.115 5.355 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.415 -1.397 6.165 1.00 0.00 H new ATOM 192 N LEU A 12 -8.185 -4.813 6.050 1.00 0.00 N ATOM 193 CA LEU A 12 -7.870 -5.611 4.877 1.00 0.00 C ATOM 194 C LEU A 12 -8.848 -6.785 4.786 1.00 0.00 C ATOM 195 O LEU A 12 -9.435 -7.028 3.732 1.00 0.00 O ATOM 196 CB LEU A 12 -6.400 -6.036 4.896 1.00 0.00 C ATOM 197 CG LEU A 12 -5.555 -5.582 3.705 1.00 0.00 C ATOM 198 CD1 LEU A 12 -4.908 -4.223 3.979 1.00 0.00 C ATOM 199 CD2 LEU A 12 -4.521 -6.645 3.329 1.00 0.00 C ATOM 0 H LEU A 12 -7.377 -4.541 6.610 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.995 -5.020 3.970 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.943 -5.651 5.808 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.358 -7.124 4.952 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.214 -5.457 2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.313 -3.923 3.117 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.685 -3.480 4.160 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.265 -4.296 4.856 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.934 -6.297 2.479 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.860 -6.826 4.177 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.031 -7.571 3.062 1.00 0.00 H new ATOM 211 N LYS A 13 -8.994 -7.480 5.904 1.00 0.00 N ATOM 212 CA LYS A 13 -9.891 -8.621 5.964 1.00 0.00 C ATOM 213 C LYS A 13 -11.334 -8.140 5.802 1.00 0.00 C ATOM 214 O LYS A 13 -12.171 -8.851 5.248 1.00 0.00 O ATOM 215 CB LYS A 13 -9.651 -9.424 7.244 1.00 0.00 C ATOM 216 CG LYS A 13 -9.894 -10.916 7.009 1.00 0.00 C ATOM 217 CD LYS A 13 -11.358 -11.282 7.268 1.00 0.00 C ATOM 218 CE LYS A 13 -11.773 -12.501 6.442 1.00 0.00 C ATOM 219 NZ LYS A 13 -11.668 -13.736 7.252 1.00 0.00 N ATOM 0 H LYS A 13 -8.506 -7.275 6.776 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.689 -9.307 5.141 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.629 -9.268 7.589 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.312 -9.064 8.033 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.627 -11.174 5.984 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.248 -11.501 7.664 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.502 -11.490 8.328 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.998 -10.435 7.020 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.797 -12.377 6.088 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.139 -12.583 5.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.953 -14.554 6.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.685 -13.861 7.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.292 -13.662 8.081 1.00 0.00 H new ATOM 233 N ARG A 14 -11.581 -6.934 6.294 1.00 0.00 N ATOM 234 CA ARG A 14 -12.909 -6.349 6.210 1.00 0.00 C ATOM 235 C ARG A 14 -13.198 -5.893 4.778 1.00 0.00 C ATOM 236 O ARG A 14 -14.356 -5.820 4.369 1.00 0.00 O ATOM 237 CB ARG A 14 -13.045 -5.154 7.156 1.00 0.00 C ATOM 238 CG ARG A 14 -14.499 -4.688 7.245 1.00 0.00 C ATOM 239 CD ARG A 14 -14.873 -4.329 8.685 1.00 0.00 C ATOM 240 NE ARG A 14 -16.344 -4.242 8.819 1.00 0.00 N ATOM 241 CZ ARG A 14 -16.973 -3.822 9.926 1.00 0.00 C ATOM 242 NH1 ARG A 14 -16.264 -3.450 10.999 1.00 0.00 N ATOM 243 NH2 ARG A 14 -18.312 -3.776 9.957 1.00 0.00 N ATOM 0 H ARG A 14 -10.884 -6.346 6.752 1.00 0.00 H new ATOM 0 HA ARG A 14 -13.628 -7.114 6.504 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -12.686 -5.428 8.148 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -12.418 -4.335 6.805 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -14.647 -3.822 6.600 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -15.160 -5.474 6.879 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -14.481 -5.081 9.370 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -14.417 -3.378 8.962 1.00 0.00 H new ATOM 0 HE ARG A 14 -16.915 -4.519 8.020 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -15.245 -3.486 10.974 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -16.743 -3.131 11.841 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -18.851 -4.060 9.139 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -18.792 -3.457 10.798 1.00 0.00 H new ATOM 257 N ASN A 15 -12.127 -5.600 4.056 1.00 0.00 N ATOM 258 CA ASN A 15 -12.252 -5.154 2.679 1.00 0.00 C ATOM 259 C ASN A 15 -12.235 -6.369 1.750 1.00 0.00 C ATOM 260 O ASN A 15 -12.984 -6.422 0.776 1.00 0.00 O ATOM 261 CB ASN A 15 -11.086 -4.243 2.287 1.00 0.00 C ATOM 262 CG ASN A 15 -11.568 -3.079 1.420 1.00 0.00 C ATOM 263 OD1 ASN A 15 -11.914 -3.236 0.261 1.00 0.00 O ATOM 264 ND2 ASN A 15 -11.571 -1.905 2.045 1.00 0.00 N ATOM 0 H ASN A 15 -11.168 -5.663 4.399 1.00 0.00 H new ATOM 0 HA ASN A 15 -13.188 -4.603 2.587 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -10.604 -3.857 3.185 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -10.336 -4.819 1.745 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -11.876 -1.066 1.552 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -11.268 -1.844 3.017 1.00 0.00 H new ATOM 271 N GLY A 16 -11.371 -7.318 2.084 1.00 0.00 N ATOM 272 CA GLY A 16 -11.247 -8.529 1.292 1.00 0.00 C ATOM 273 C GLY A 16 -9.911 -8.562 0.546 1.00 0.00 C ATOM 274 O GLY A 16 -9.874 -8.818 -0.656 1.00 0.00 O ATOM 0 H GLY A 16 -10.751 -7.272 2.892 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -11.327 -9.402 1.940 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.068 -8.586 0.577 1.00 0.00 H new ATOM 278 N MET A 17 -8.847 -8.297 1.290 1.00 0.00 N ATOM 279 CA MET A 17 -7.514 -8.293 0.714 1.00 0.00 C ATOM 280 C MET A 17 -6.589 -9.255 1.464 1.00 0.00 C ATOM 281 O MET A 17 -5.772 -9.940 0.851 1.00 0.00 O ATOM 282 CB MET A 17 -6.935 -6.878 0.775 1.00 0.00 C ATOM 283 CG MET A 17 -6.643 -6.345 -0.629 1.00 0.00 C ATOM 284 SD MET A 17 -8.172 -5.992 -1.479 1.00 0.00 S ATOM 285 CE MET A 17 -8.208 -7.357 -2.629 1.00 0.00 C ATOM 0 H MET A 17 -8.882 -8.084 2.287 1.00 0.00 H new ATOM 0 HA MET A 17 -7.586 -8.622 -0.323 1.00 0.00 H new ATOM 0 HB2 MET A 17 -7.637 -6.215 1.281 1.00 0.00 H new ATOM 0 HB3 MET A 17 -6.018 -6.881 1.365 1.00 0.00 H new ATOM 0 HG2 MET A 17 -6.036 -5.442 -0.565 1.00 0.00 H new ATOM 0 HG3 MET A 17 -6.065 -7.078 -1.192 1.00 0.00 H new ATOM 0 HE1 MET A 17 -9.220 -7.758 -2.686 1.00 0.00 H new ATOM 0 HE2 MET A 17 -7.899 -7.010 -3.615 1.00 0.00 H new ATOM 0 HE3 MET A 17 -7.527 -8.137 -2.289 1.00 0.00 H new ATOM 295 N ALA A 18 -6.750 -9.276 2.779 1.00 0.00 N ATOM 296 CA ALA A 18 -5.941 -10.142 3.618 1.00 0.00 C ATOM 297 C ALA A 18 -5.981 -11.567 3.062 1.00 0.00 C ATOM 298 O ALA A 18 -7.005 -12.243 3.152 1.00 0.00 O ATOM 299 CB ALA A 18 -6.440 -10.065 5.063 1.00 0.00 C ATOM 0 H ALA A 18 -7.429 -8.707 3.284 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.901 -9.816 3.615 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.833 -10.715 5.693 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.363 -9.038 5.420 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.481 -10.387 5.106 1.00 0.00 H new ATOM 305 N GLY A 19 -4.855 -11.981 2.500 1.00 0.00 N ATOM 306 CA GLY A 19 -4.749 -13.313 1.929 1.00 0.00 C ATOM 307 C GLY A 19 -5.358 -13.358 0.526 1.00 0.00 C ATOM 308 O GLY A 19 -5.944 -14.365 0.133 1.00 0.00 O ATOM 0 H GLY A 19 -4.008 -11.417 2.428 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.702 -13.611 1.884 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.257 -14.030 2.573 1.00 0.00 H new ATOM 312 N TYR A 20 -5.199 -12.255 -0.189 1.00 0.00 N ATOM 313 CA TYR A 20 -5.725 -12.156 -1.541 1.00 0.00 C ATOM 314 C TYR A 20 -5.356 -13.392 -2.364 1.00 0.00 C ATOM 315 O TYR A 20 -4.642 -14.272 -1.885 1.00 0.00 O ATOM 316 CB TYR A 20 -5.061 -10.927 -2.163 1.00 0.00 C ATOM 317 CG TYR A 20 -5.605 -10.560 -3.546 1.00 0.00 C ATOM 318 CD1 TYR A 20 -6.913 -10.144 -3.685 1.00 0.00 C ATOM 319 CD2 TYR A 20 -4.786 -10.645 -4.653 1.00 0.00 C ATOM 320 CE1 TYR A 20 -7.424 -9.798 -4.987 1.00 0.00 C ATOM 321 CE2 TYR A 20 -5.296 -10.300 -5.955 1.00 0.00 C ATOM 322 CZ TYR A 20 -6.590 -9.894 -6.057 1.00 0.00 C ATOM 323 OH TYR A 20 -7.073 -9.567 -7.286 1.00 0.00 O ATOM 0 H TYR A 20 -4.713 -11.421 0.142 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.812 -12.080 -1.525 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -5.194 -10.077 -1.494 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.989 -11.106 -2.241 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -7.554 -10.078 -2.818 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.762 -10.970 -4.543 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -8.446 -9.470 -5.110 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -4.666 -10.362 -6.830 1.00 0.00 H new ATOM 0 HH TYR A 20 -6.367 -9.682 -7.956 1.00 0.00 H new ATOM 333 N TYR A 21 -5.860 -13.419 -3.590 1.00 0.00 N ATOM 334 CA TYR A 21 -5.593 -14.532 -4.484 1.00 0.00 C ATOM 335 C TYR A 21 -4.172 -15.063 -4.288 1.00 0.00 C ATOM 336 O TYR A 21 -3.966 -16.272 -4.183 1.00 0.00 O ATOM 337 CB TYR A 21 -5.725 -13.973 -5.903 1.00 0.00 C ATOM 338 CG TYR A 21 -6.942 -14.496 -6.667 1.00 0.00 C ATOM 339 CD1 TYR A 21 -8.211 -14.096 -6.299 1.00 0.00 C ATOM 340 CD2 TYR A 21 -6.773 -15.368 -7.723 1.00 0.00 C ATOM 341 CE1 TYR A 21 -9.358 -14.589 -7.017 1.00 0.00 C ATOM 342 CE2 TYR A 21 -7.920 -15.859 -8.442 1.00 0.00 C ATOM 343 CZ TYR A 21 -9.156 -15.446 -8.053 1.00 0.00 C ATOM 344 OH TYR A 21 -10.238 -15.910 -8.733 1.00 0.00 O ATOM 0 H TYR A 21 -6.452 -12.688 -3.984 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.283 -15.354 -4.292 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.782 -12.886 -5.850 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.823 -14.218 -6.464 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.344 -13.413 -5.473 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.780 -15.682 -8.010 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -10.356 -14.285 -6.739 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.801 -16.540 -9.272 1.00 0.00 H new ATOM 0 HH TYR A 21 -9.942 -16.512 -9.447 1.00 0.00 H new ATOM 354 N GLY A 22 -3.227 -14.136 -4.245 1.00 0.00 N ATOM 355 CA GLY A 22 -1.831 -14.496 -4.063 1.00 0.00 C ATOM 356 C GLY A 22 -1.234 -13.779 -2.852 1.00 0.00 C ATOM 357 O GLY A 22 -0.723 -14.421 -1.936 1.00 0.00 O ATOM 0 H GLY A 22 -3.401 -13.135 -4.333 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.744 -15.574 -3.931 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.265 -14.238 -4.958 1.00 0.00 H new ATOM 361 N VAL A 23 -1.317 -12.456 -2.885 1.00 0.00 N ATOM 362 CA VAL A 23 -0.791 -11.645 -1.800 1.00 0.00 C ATOM 363 C VAL A 23 -1.322 -12.177 -0.467 1.00 0.00 C ATOM 364 O VAL A 23 -2.532 -12.290 -0.278 1.00 0.00 O ATOM 365 CB VAL A 23 -1.131 -10.173 -2.035 1.00 0.00 C ATOM 366 CG1 VAL A 23 -0.484 -9.284 -0.972 1.00 0.00 C ATOM 367 CG2 VAL A 23 -0.721 -9.733 -3.441 1.00 0.00 C ATOM 0 H VAL A 23 -1.741 -11.926 -3.647 1.00 0.00 H new ATOM 0 HA VAL A 23 0.296 -11.712 -1.766 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.212 -10.062 -1.951 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.742 -8.242 -1.163 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.847 -9.573 0.014 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.599 -9.402 -1.009 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.974 -8.682 -3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.354 -9.867 -3.565 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.250 -10.336 -4.180 1.00 0.00 H new ATOM 377 N SER A 24 -0.391 -12.490 0.422 1.00 0.00 N ATOM 378 CA SER A 24 -0.750 -13.007 1.731 1.00 0.00 C ATOM 379 C SER A 24 -0.914 -11.853 2.723 1.00 0.00 C ATOM 380 O SER A 24 -0.219 -10.843 2.625 1.00 0.00 O ATOM 381 CB SER A 24 0.298 -13.999 2.239 1.00 0.00 C ATOM 382 OG SER A 24 -0.009 -15.339 1.866 1.00 0.00 O ATOM 0 H SER A 24 0.612 -12.395 0.261 1.00 0.00 H new ATOM 0 HA SER A 24 -1.698 -13.537 1.640 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.276 -13.728 1.842 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.365 -13.931 3.325 1.00 0.00 H new ATOM 0 HG SER A 24 0.685 -15.941 2.208 1.00 0.00 H new ATOM 388 N LEU A 25 -1.837 -12.042 3.655 1.00 0.00 N ATOM 389 CA LEU A 25 -2.100 -11.030 4.663 1.00 0.00 C ATOM 390 C LEU A 25 -0.777 -10.576 5.283 1.00 0.00 C ATOM 391 O LEU A 25 -0.546 -9.381 5.459 1.00 0.00 O ATOM 392 CB LEU A 25 -3.115 -11.543 5.686 1.00 0.00 C ATOM 393 CG LEU A 25 -3.266 -10.708 6.960 1.00 0.00 C ATOM 394 CD1 LEU A 25 -3.453 -9.228 6.624 1.00 0.00 C ATOM 395 CD2 LEU A 25 -4.398 -11.245 7.837 1.00 0.00 C ATOM 0 H LEU A 25 -2.412 -12.881 3.733 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.557 -10.151 4.209 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.089 -11.608 5.201 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.833 -12.556 5.971 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.345 -10.794 7.537 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.558 -8.656 7.546 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.586 -8.868 6.070 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.349 -9.103 6.016 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.484 -10.634 8.735 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.336 -11.209 7.283 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.182 -12.276 8.119 1.00 0.00 H new ATOM 407 N ALA A 26 0.059 -11.556 5.597 1.00 0.00 N ATOM 408 CA ALA A 26 1.353 -11.272 6.194 1.00 0.00 C ATOM 409 C ALA A 26 2.147 -10.353 5.265 1.00 0.00 C ATOM 410 O ALA A 26 2.737 -9.372 5.713 1.00 0.00 O ATOM 411 CB ALA A 26 2.083 -12.588 6.477 1.00 0.00 C ATOM 0 H ALA A 26 -0.135 -12.546 5.449 1.00 0.00 H new ATOM 0 HA ALA A 26 1.233 -10.754 7.145 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.054 -12.376 6.925 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.490 -13.192 7.164 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.225 -13.133 5.544 1.00 0.00 H new ATOM 417 N ASP A 27 2.137 -10.703 3.987 1.00 0.00 N ATOM 418 CA ASP A 27 2.850 -9.922 2.991 1.00 0.00 C ATOM 419 C ASP A 27 2.239 -8.522 2.915 1.00 0.00 C ATOM 420 O ASP A 27 2.948 -7.543 2.684 1.00 0.00 O ATOM 421 CB ASP A 27 2.739 -10.562 1.605 1.00 0.00 C ATOM 422 CG ASP A 27 3.069 -9.633 0.436 1.00 0.00 C ATOM 423 OD1 ASP A 27 3.701 -8.587 0.702 1.00 0.00 O ATOM 424 OD2 ASP A 27 2.683 -9.989 -0.698 1.00 0.00 O ATOM 0 H ASP A 27 1.646 -11.518 3.618 1.00 0.00 H new ATOM 0 HA ASP A 27 3.899 -9.878 3.285 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.406 -11.423 1.565 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.724 -10.938 1.475 1.00 0.00 H new ATOM 429 N TRP A 28 0.930 -8.470 3.115 1.00 0.00 N ATOM 430 CA TRP A 28 0.216 -7.206 3.072 1.00 0.00 C ATOM 431 C TRP A 28 0.730 -6.333 4.219 1.00 0.00 C ATOM 432 O TRP A 28 1.293 -5.265 3.986 1.00 0.00 O ATOM 433 CB TRP A 28 -1.297 -7.429 3.121 1.00 0.00 C ATOM 434 CG TRP A 28 -1.940 -7.641 1.750 1.00 0.00 C ATOM 435 CD1 TRP A 28 -2.756 -8.632 1.366 1.00 0.00 C ATOM 436 CD2 TRP A 28 -1.787 -6.798 0.589 1.00 0.00 C ATOM 437 NE1 TRP A 28 -3.139 -8.490 0.048 1.00 0.00 N ATOM 438 CE2 TRP A 28 -2.531 -7.340 -0.440 1.00 0.00 C ATOM 439 CE3 TRP A 28 -1.044 -5.617 0.413 1.00 0.00 C ATOM 440 CZ2 TRP A 28 -2.604 -6.768 -1.716 1.00 0.00 C ATOM 441 CZ3 TRP A 28 -1.129 -5.059 -0.868 1.00 0.00 C ATOM 442 CH2 TRP A 28 -1.873 -5.592 -1.914 1.00 0.00 C ATOM 0 H TRP A 28 0.346 -9.284 3.307 1.00 0.00 H new ATOM 0 HA TRP A 28 0.403 -6.689 2.131 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.506 -8.297 3.747 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -1.765 -6.570 3.601 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.074 -9.440 2.008 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -3.755 -9.114 -0.472 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.455 -5.176 1.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.193 -7.211 -2.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.577 -4.150 -1.057 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.887 -5.100 -2.875 1.00 0.00 H new ATOM 453 N VAL A 29 0.517 -6.821 5.432 1.00 0.00 N ATOM 454 CA VAL A 29 0.953 -6.100 6.616 1.00 0.00 C ATOM 455 C VAL A 29 2.447 -5.793 6.501 1.00 0.00 C ATOM 456 O VAL A 29 2.850 -4.632 6.522 1.00 0.00 O ATOM 457 CB VAL A 29 0.600 -6.896 7.873 1.00 0.00 C ATOM 458 CG1 VAL A 29 1.041 -6.151 9.135 1.00 0.00 C ATOM 459 CG2 VAL A 29 -0.895 -7.216 7.919 1.00 0.00 C ATOM 0 H VAL A 29 0.048 -7.707 5.621 1.00 0.00 H new ATOM 0 HA VAL A 29 0.432 -5.146 6.695 1.00 0.00 H new ATOM 0 HB VAL A 29 1.143 -7.841 7.834 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.778 -6.738 10.015 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.120 -5.999 9.109 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.539 -5.184 9.181 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.118 -7.783 8.823 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.466 -6.287 7.922 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.168 -7.806 7.044 1.00 0.00 H new ATOM 469 N CYS A 30 3.228 -6.857 6.382 1.00 0.00 N ATOM 470 CA CYS A 30 4.670 -6.717 6.263 1.00 0.00 C ATOM 471 C CYS A 30 4.963 -5.572 5.290 1.00 0.00 C ATOM 472 O CYS A 30 5.640 -4.609 5.646 1.00 0.00 O ATOM 473 CB CYS A 30 5.331 -8.024 5.823 1.00 0.00 C ATOM 474 SG CYS A 30 7.097 -8.184 6.278 1.00 0.00 S ATOM 0 H CYS A 30 2.890 -7.819 6.365 1.00 0.00 H new ATOM 0 HA CYS A 30 5.097 -6.482 7.238 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.781 -8.858 6.260 1.00 0.00 H new ATOM 0 HB3 CYS A 30 5.240 -8.114 4.741 1.00 0.00 H new ATOM 479 N LEU A 31 4.440 -5.717 4.082 1.00 0.00 N ATOM 480 CA LEU A 31 4.637 -4.708 3.055 1.00 0.00 C ATOM 481 C LEU A 31 4.304 -3.330 3.630 1.00 0.00 C ATOM 482 O LEU A 31 5.073 -2.384 3.471 1.00 0.00 O ATOM 483 CB LEU A 31 3.839 -5.059 1.798 1.00 0.00 C ATOM 484 CG LEU A 31 4.103 -4.187 0.569 1.00 0.00 C ATOM 485 CD1 LEU A 31 3.236 -4.625 -0.611 1.00 0.00 C ATOM 486 CD2 LEU A 31 3.915 -2.705 0.900 1.00 0.00 C ATOM 0 H LEU A 31 3.880 -6.518 3.791 1.00 0.00 H new ATOM 0 HA LEU A 31 5.681 -4.680 2.744 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.051 -6.095 1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.777 -5.001 2.038 1.00 0.00 H new ATOM 0 HG LEU A 31 5.143 -4.322 0.271 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.444 -3.989 -1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.462 -5.661 -0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.184 -4.538 -0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.108 -2.106 0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.893 -2.534 1.237 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.610 -2.417 1.689 1.00 0.00 H new ATOM 498 N ALA A 32 3.155 -3.261 4.287 1.00 0.00 N ATOM 499 CA ALA A 32 2.710 -2.014 4.886 1.00 0.00 C ATOM 500 C ALA A 32 3.674 -1.620 6.007 1.00 0.00 C ATOM 501 O ALA A 32 3.775 -0.445 6.359 1.00 0.00 O ATOM 502 CB ALA A 32 1.272 -2.170 5.383 1.00 0.00 C ATOM 0 H ALA A 32 2.519 -4.048 4.418 1.00 0.00 H new ATOM 0 HA ALA A 32 2.715 -1.211 4.149 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.939 -1.234 5.832 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.623 -2.422 4.545 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.228 -2.965 6.127 1.00 0.00 H new ATOM 508 N GLN A 33 4.358 -2.623 6.537 1.00 0.00 N ATOM 509 CA GLN A 33 5.309 -2.397 7.611 1.00 0.00 C ATOM 510 C GLN A 33 6.596 -1.780 7.059 1.00 0.00 C ATOM 511 O GLN A 33 7.003 -0.700 7.482 1.00 0.00 O ATOM 512 CB GLN A 33 5.603 -3.693 8.367 1.00 0.00 C ATOM 513 CG GLN A 33 6.169 -3.401 9.758 1.00 0.00 C ATOM 514 CD GLN A 33 5.270 -2.428 10.523 1.00 0.00 C ATOM 515 OE1 GLN A 33 5.723 -1.477 11.138 1.00 0.00 O ATOM 516 NE2 GLN A 33 3.974 -2.718 10.450 1.00 0.00 N ATOM 0 H GLN A 33 4.272 -3.596 6.242 1.00 0.00 H new ATOM 0 HA GLN A 33 4.867 -1.696 8.319 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.689 -4.280 8.458 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.313 -4.295 7.801 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.264 -4.331 10.318 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.170 -2.981 9.666 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.662 -3.530 9.917 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.292 -2.128 10.927 1.00 0.00 H new ATOM 525 N HIS A 34 7.201 -2.494 6.120 1.00 0.00 N ATOM 526 CA HIS A 34 8.432 -2.030 5.505 1.00 0.00 C ATOM 527 C HIS A 34 8.205 -0.657 4.871 1.00 0.00 C ATOM 528 O HIS A 34 9.142 0.127 4.727 1.00 0.00 O ATOM 529 CB HIS A 34 8.964 -3.064 4.508 1.00 0.00 C ATOM 530 CG HIS A 34 10.450 -2.971 4.262 1.00 0.00 C ATOM 531 ND1 HIS A 34 11.029 -1.934 3.551 1.00 0.00 N ATOM 532 CD2 HIS A 34 11.470 -3.795 4.639 1.00 0.00 C ATOM 533 CE1 HIS A 34 12.338 -2.136 3.508 1.00 0.00 C ATOM 534 NE2 HIS A 34 12.608 -3.290 4.182 1.00 0.00 N ATOM 0 H HIS A 34 6.861 -3.390 5.771 1.00 0.00 H new ATOM 0 HA HIS A 34 9.202 -1.915 6.267 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.729 -4.063 4.876 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.441 -2.942 3.560 1.00 0.00 H new ATOM 0 HD2 HIS A 34 11.368 -4.704 5.212 1.00 0.00 H new ATOM 0 HE1 HIS A 34 13.063 -1.499 3.024 1.00 0.00 H new ATOM 0 HE2 HIS A 34 13.534 -3.698 4.313 1.00 0.00 H new ATOM 543 N GLU A 35 6.955 -0.408 4.509 1.00 0.00 N ATOM 544 CA GLU A 35 6.593 0.858 3.893 1.00 0.00 C ATOM 545 C GLU A 35 6.551 1.967 4.946 1.00 0.00 C ATOM 546 O GLU A 35 7.285 2.948 4.848 1.00 0.00 O ATOM 547 CB GLU A 35 5.254 0.747 3.159 1.00 0.00 C ATOM 548 CG GLU A 35 5.421 0.024 1.821 1.00 0.00 C ATOM 549 CD GLU A 35 6.015 0.958 0.764 1.00 0.00 C ATOM 550 OE1 GLU A 35 6.823 1.825 1.162 1.00 0.00 O ATOM 551 OE2 GLU A 35 5.648 0.783 -0.418 1.00 0.00 O ATOM 0 H GLU A 35 6.181 -1.061 4.630 1.00 0.00 H new ATOM 0 HA GLU A 35 7.354 1.113 3.156 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.538 0.209 3.780 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.844 1.743 2.990 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.068 -0.843 1.950 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.454 -0.348 1.481 1.00 0.00 H new ATOM 558 N SER A 36 5.684 1.773 5.929 1.00 0.00 N ATOM 559 CA SER A 36 5.536 2.745 6.999 1.00 0.00 C ATOM 560 C SER A 36 4.572 2.213 8.060 1.00 0.00 C ATOM 561 O SER A 36 4.962 1.994 9.205 1.00 0.00 O ATOM 562 CB SER A 36 5.042 4.089 6.459 1.00 0.00 C ATOM 563 OG SER A 36 4.844 5.041 7.498 1.00 0.00 O ATOM 0 H SER A 36 5.077 0.957 6.007 1.00 0.00 H new ATOM 0 HA SER A 36 6.514 2.904 7.453 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.765 4.479 5.743 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.106 3.941 5.920 1.00 0.00 H new ATOM 0 HG SER A 36 3.887 5.232 7.589 1.00 0.00 H new ATOM 569 N ASN A 37 3.329 2.020 7.642 1.00 0.00 N ATOM 570 CA ASN A 37 2.305 1.517 8.541 1.00 0.00 C ATOM 571 C ASN A 37 2.041 2.553 9.636 1.00 0.00 C ATOM 572 O ASN A 37 2.604 3.647 9.609 1.00 0.00 O ATOM 573 CB ASN A 37 2.755 0.220 9.218 1.00 0.00 C ATOM 574 CG ASN A 37 1.553 -0.654 9.580 1.00 0.00 C ATOM 575 OD1 ASN A 37 0.817 -1.129 8.729 1.00 0.00 O ATOM 576 ND2 ASN A 37 1.393 -0.840 10.887 1.00 0.00 N ATOM 0 H ASN A 37 3.008 2.203 6.691 1.00 0.00 H new ATOM 0 HA ASN A 37 1.406 1.326 7.955 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.422 -0.329 8.553 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.324 0.454 10.118 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.619 -1.408 11.230 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.045 -0.414 11.546 1.00 0.00 H new ATOM 583 N TYR A 38 1.185 2.172 10.573 1.00 0.00 N ATOM 584 CA TYR A 38 0.839 3.054 11.674 1.00 0.00 C ATOM 585 C TYR A 38 0.162 4.328 11.164 1.00 0.00 C ATOM 586 O TYR A 38 -0.978 4.616 11.524 1.00 0.00 O ATOM 587 CB TYR A 38 2.162 3.428 12.346 1.00 0.00 C ATOM 588 CG TYR A 38 2.669 2.386 13.344 1.00 0.00 C ATOM 589 CD1 TYR A 38 1.870 1.992 14.398 1.00 0.00 C ATOM 590 CD2 TYR A 38 3.928 1.838 13.191 1.00 0.00 C ATOM 591 CE1 TYR A 38 2.347 1.011 15.337 1.00 0.00 C ATOM 592 CE2 TYR A 38 4.404 0.857 14.131 1.00 0.00 C ATOM 593 CZ TYR A 38 3.591 0.492 15.157 1.00 0.00 C ATOM 594 OH TYR A 38 4.042 -0.435 16.045 1.00 0.00 O ATOM 0 H TYR A 38 0.721 1.264 10.592 1.00 0.00 H new ATOM 0 HA TYR A 38 0.147 2.562 12.357 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.919 3.577 11.576 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.039 4.380 12.862 1.00 0.00 H new ATOM 0 HD1 TYR A 38 0.886 2.420 14.518 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.555 2.145 12.367 1.00 0.00 H new ATOM 0 HE1 TYR A 38 1.731 0.694 16.166 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.386 0.421 14.023 1.00 0.00 H new ATOM 0 HH TYR A 38 4.945 -0.718 15.792 1.00 0.00 H new ATOM 604 N ASN A 39 0.894 5.058 10.335 1.00 0.00 N ATOM 605 CA ASN A 39 0.379 6.294 9.773 1.00 0.00 C ATOM 606 C ASN A 39 0.797 6.395 8.305 1.00 0.00 C ATOM 607 O ASN A 39 1.802 5.811 7.900 1.00 0.00 O ATOM 608 CB ASN A 39 0.941 7.512 10.510 1.00 0.00 C ATOM 609 CG ASN A 39 0.411 8.812 9.904 1.00 0.00 C ATOM 610 OD1 ASN A 39 1.077 9.486 9.135 1.00 0.00 O ATOM 611 ND2 ASN A 39 -0.822 9.127 10.291 1.00 0.00 N ATOM 0 H ASN A 39 1.840 4.817 10.039 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.706 6.282 9.872 1.00 0.00 H new ATOM 0 HB2 ASN A 39 0.669 7.461 11.564 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.030 7.501 10.461 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.265 9.977 9.941 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.325 8.519 10.937 1.00 0.00 H new ATOM 618 N THR A 40 0.007 7.141 7.547 1.00 0.00 N ATOM 619 CA THR A 40 0.282 7.326 6.132 1.00 0.00 C ATOM 620 C THR A 40 0.919 8.695 5.888 1.00 0.00 C ATOM 621 O THR A 40 0.461 9.454 5.035 1.00 0.00 O ATOM 622 CB THR A 40 -1.024 7.118 5.364 1.00 0.00 C ATOM 623 OG1 THR A 40 -1.732 8.341 5.544 1.00 0.00 O ATOM 624 CG2 THR A 40 -1.925 6.066 6.016 1.00 0.00 C ATOM 0 H THR A 40 -0.824 7.625 7.886 1.00 0.00 H new ATOM 0 HA THR A 40 1.006 6.596 5.771 1.00 0.00 H new ATOM 0 HB THR A 40 -0.799 6.820 4.340 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.257 9.065 5.085 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.839 5.957 5.432 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.401 5.111 6.053 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.178 6.380 7.029 1.00 0.00 H new ATOM 632 N ARG A 41 1.966 8.971 6.651 1.00 0.00 N ATOM 633 CA ARG A 41 2.670 10.235 6.529 1.00 0.00 C ATOM 634 C ARG A 41 3.673 10.174 5.375 1.00 0.00 C ATOM 635 O ARG A 41 4.103 11.208 4.866 1.00 0.00 O ATOM 636 CB ARG A 41 3.412 10.581 7.822 1.00 0.00 C ATOM 637 CG ARG A 41 4.416 11.712 7.593 1.00 0.00 C ATOM 638 CD ARG A 41 4.960 12.241 8.922 1.00 0.00 C ATOM 639 NE ARG A 41 4.875 13.718 8.950 1.00 0.00 N ATOM 640 CZ ARG A 41 3.731 14.402 9.083 1.00 0.00 C ATOM 641 NH1 ARG A 41 2.567 13.747 9.199 1.00 0.00 N ATOM 642 NH2 ARG A 41 3.750 15.743 9.099 1.00 0.00 N ATOM 0 H ARG A 41 2.344 8.339 7.357 1.00 0.00 H new ATOM 0 HA ARG A 41 1.929 11.009 6.331 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.696 10.876 8.589 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.932 9.698 8.194 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.240 11.352 6.976 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.937 12.523 7.044 1.00 0.00 H new ATOM 0 HD2 ARG A 41 4.391 11.820 9.751 1.00 0.00 H new ATOM 0 HD3 ARG A 41 5.995 11.925 9.053 1.00 0.00 H new ATOM 0 HE ARG A 41 5.742 14.248 8.863 1.00 0.00 H new ATOM 0 HH11 ARG A 41 2.552 12.727 9.186 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.696 14.268 9.300 1.00 0.00 H new ATOM 0 HH21 ARG A 41 4.635 16.242 9.010 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.879 16.264 9.200 1.00 0.00 H new ATOM 656 N ALA A 42 4.017 8.952 4.996 1.00 0.00 N ATOM 657 CA ALA A 42 4.963 8.744 3.912 1.00 0.00 C ATOM 658 C ALA A 42 4.597 9.657 2.740 1.00 0.00 C ATOM 659 O ALA A 42 3.733 9.321 1.933 1.00 0.00 O ATOM 660 CB ALA A 42 4.968 7.264 3.518 1.00 0.00 C ATOM 0 H ALA A 42 3.658 8.096 5.420 1.00 0.00 H new ATOM 0 HA ALA A 42 5.974 9.002 4.228 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.677 7.106 2.705 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.260 6.660 4.377 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.970 6.971 3.191 1.00 0.00 H new ATOM 666 N THR A 43 5.274 10.794 2.686 1.00 0.00 N ATOM 667 CA THR A 43 5.032 11.759 1.625 1.00 0.00 C ATOM 668 C THR A 43 6.356 12.332 1.114 1.00 0.00 C ATOM 669 O THR A 43 7.118 12.921 1.878 1.00 0.00 O ATOM 670 CB THR A 43 4.077 12.824 2.166 1.00 0.00 C ATOM 671 OG1 THR A 43 4.561 13.092 3.480 1.00 0.00 O ATOM 672 CG2 THR A 43 2.663 12.283 2.393 1.00 0.00 C ATOM 0 H THR A 43 5.990 11.070 3.359 1.00 0.00 H new ATOM 0 HA THR A 43 4.563 11.289 0.761 1.00 0.00 H new ATOM 0 HB THR A 43 4.038 13.662 1.470 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.115 12.499 4.120 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.026 13.080 2.777 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.258 11.917 1.450 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.697 11.466 3.114 1.00 0.00 H new ATOM 680 N ASN A 44 6.587 12.141 -0.177 1.00 0.00 N ATOM 681 CA ASN A 44 7.805 12.632 -0.799 1.00 0.00 C ATOM 682 C ASN A 44 7.475 13.179 -2.189 1.00 0.00 C ATOM 683 O ASN A 44 7.522 12.446 -3.176 1.00 0.00 O ATOM 684 CB ASN A 44 8.830 11.508 -0.963 1.00 0.00 C ATOM 685 CG ASN A 44 10.215 11.957 -0.491 1.00 0.00 C ATOM 686 OD1 ASN A 44 10.740 11.491 0.506 1.00 0.00 O ATOM 687 ND2 ASN A 44 10.774 12.886 -1.261 1.00 0.00 N ATOM 0 H ASN A 44 5.952 11.653 -0.809 1.00 0.00 H new ATOM 0 HA ASN A 44 8.223 13.410 -0.160 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.513 10.635 -0.393 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.879 11.205 -2.009 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.698 13.251 -1.030 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.279 13.233 -2.082 1.00 0.00 H new ATOM 694 N TYR A 45 7.150 14.463 -2.224 1.00 0.00 N ATOM 695 CA TYR A 45 6.814 15.117 -3.477 1.00 0.00 C ATOM 696 C TYR A 45 8.064 15.685 -4.151 1.00 0.00 C ATOM 697 O TYR A 45 9.050 15.992 -3.482 1.00 0.00 O ATOM 698 CB TYR A 45 5.876 16.270 -3.113 1.00 0.00 C ATOM 699 CG TYR A 45 6.566 17.426 -2.386 1.00 0.00 C ATOM 700 CD1 TYR A 45 7.124 18.460 -3.109 1.00 0.00 C ATOM 701 CD2 TYR A 45 6.629 17.435 -1.007 1.00 0.00 C ATOM 702 CE1 TYR A 45 7.772 19.550 -2.425 1.00 0.00 C ATOM 703 CE2 TYR A 45 7.277 18.523 -0.323 1.00 0.00 C ATOM 704 CZ TYR A 45 7.817 19.527 -1.066 1.00 0.00 C ATOM 705 OH TYR A 45 8.430 20.555 -0.420 1.00 0.00 O ATOM 0 H TYR A 45 7.112 15.068 -1.404 1.00 0.00 H new ATOM 0 HA TYR A 45 6.357 14.409 -4.169 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.414 16.651 -4.024 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.072 15.887 -2.484 1.00 0.00 H new ATOM 0 HD1 TYR A 45 7.075 18.452 -4.188 1.00 0.00 H new ATOM 0 HD2 TYR A 45 6.192 16.625 -0.441 1.00 0.00 H new ATOM 0 HE1 TYR A 45 8.212 20.366 -2.979 1.00 0.00 H new ATOM 0 HE2 TYR A 45 7.333 18.542 0.755 1.00 0.00 H new ATOM 0 HH TYR A 45 8.385 20.406 0.548 1.00 0.00 H new ATOM 715 N ASN A 46 7.983 15.808 -5.468 1.00 0.00 N ATOM 716 CA ASN A 46 9.096 16.335 -6.240 1.00 0.00 C ATOM 717 C ASN A 46 8.590 16.787 -7.611 1.00 0.00 C ATOM 718 O ASN A 46 8.340 15.962 -8.489 1.00 0.00 O ATOM 719 CB ASN A 46 10.168 15.266 -6.462 1.00 0.00 C ATOM 720 CG ASN A 46 10.873 14.918 -5.149 1.00 0.00 C ATOM 721 OD1 ASN A 46 10.722 13.840 -4.600 1.00 0.00 O ATOM 722 ND2 ASN A 46 11.652 15.889 -4.680 1.00 0.00 N ATOM 0 H ASN A 46 7.164 15.552 -6.020 1.00 0.00 H new ATOM 0 HA ASN A 46 9.527 17.168 -5.685 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.712 14.370 -6.883 1.00 0.00 H new ATOM 0 HB3 ASN A 46 10.898 15.623 -7.188 1.00 0.00 H new ATOM 0 HD21 ASN A 46 12.168 15.754 -3.810 1.00 0.00 H new ATOM 0 HD22 ASN A 46 11.734 16.769 -5.190 1.00 0.00 H new ATOM 729 N ARG A 47 8.454 18.098 -7.754 1.00 0.00 N ATOM 730 CA ARG A 47 7.982 18.670 -9.003 1.00 0.00 C ATOM 731 C ARG A 47 9.097 18.647 -10.051 1.00 0.00 C ATOM 732 O ARG A 47 8.829 18.514 -11.244 1.00 0.00 O ATOM 733 CB ARG A 47 7.509 20.112 -8.804 1.00 0.00 C ATOM 734 CG ARG A 47 6.321 20.429 -9.715 1.00 0.00 C ATOM 735 CD ARG A 47 5.167 21.043 -8.918 1.00 0.00 C ATOM 736 NE ARG A 47 4.142 21.577 -9.843 1.00 0.00 N ATOM 737 CZ ARG A 47 2.965 22.081 -9.448 1.00 0.00 C ATOM 738 NH1 ARG A 47 2.658 22.123 -8.145 1.00 0.00 N ATOM 739 NH2 ARG A 47 2.096 22.543 -10.357 1.00 0.00 N ATOM 0 H ARG A 47 8.663 18.780 -7.025 1.00 0.00 H new ATOM 0 HA ARG A 47 7.141 18.068 -9.347 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.225 20.265 -7.763 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.328 20.800 -9.015 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.633 21.119 -10.499 1.00 0.00 H new ATOM 0 HG3 ARG A 47 5.983 19.518 -10.208 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.724 20.291 -8.266 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.541 21.841 -8.276 1.00 0.00 H new ATOM 0 HE ARG A 47 4.344 21.560 -10.843 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.320 21.771 -7.453 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.762 22.507 -7.844 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.331 22.511 -11.349 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.200 22.927 -10.057 1.00 0.00 H new ATOM 753 N GLY A 48 10.323 18.780 -9.568 1.00 0.00 N ATOM 754 CA GLY A 48 11.479 18.776 -10.448 1.00 0.00 C ATOM 755 C GLY A 48 11.274 17.812 -11.618 1.00 0.00 C ATOM 756 O GLY A 48 11.753 18.061 -12.723 1.00 0.00 O ATOM 0 H GLY A 48 10.541 18.891 -8.578 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.655 19.782 -10.828 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.367 18.488 -9.886 1.00 0.00 H new ATOM 760 N ASP A 49 10.561 16.731 -11.335 1.00 0.00 N ATOM 761 CA ASP A 49 10.285 15.729 -12.351 1.00 0.00 C ATOM 762 C ASP A 49 8.824 15.292 -12.246 1.00 0.00 C ATOM 763 O ASP A 49 8.499 14.133 -12.505 1.00 0.00 O ATOM 764 CB ASP A 49 11.165 14.492 -12.155 1.00 0.00 C ATOM 765 CG ASP A 49 11.932 14.040 -13.400 1.00 0.00 C ATOM 766 OD1 ASP A 49 11.259 13.551 -14.333 1.00 0.00 O ATOM 767 OD2 ASP A 49 13.172 14.195 -13.390 1.00 0.00 O ATOM 0 H ASP A 49 10.166 16.527 -10.417 1.00 0.00 H new ATOM 0 HA ASP A 49 10.493 16.169 -13.326 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.882 14.697 -11.360 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.537 13.668 -11.814 1.00 0.00 H new ATOM 772 N GLN A 50 7.981 16.240 -11.866 1.00 0.00 N ATOM 773 CA GLN A 50 6.561 15.967 -11.723 1.00 0.00 C ATOM 774 C GLN A 50 6.345 14.550 -11.185 1.00 0.00 C ATOM 775 O GLN A 50 5.608 13.763 -11.777 1.00 0.00 O ATOM 776 CB GLN A 50 5.829 16.165 -13.052 1.00 0.00 C ATOM 777 CG GLN A 50 4.315 16.235 -12.839 1.00 0.00 C ATOM 778 CD GLN A 50 3.965 17.202 -11.706 1.00 0.00 C ATOM 779 OE1 GLN A 50 4.254 18.386 -11.754 1.00 0.00 O ATOM 780 NE2 GLN A 50 3.326 16.634 -10.688 1.00 0.00 N ATOM 0 H GLN A 50 8.254 17.199 -11.652 1.00 0.00 H new ATOM 0 HA GLN A 50 6.145 16.675 -11.006 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.176 17.082 -13.529 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.067 15.344 -13.728 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.829 16.557 -13.760 1.00 0.00 H new ATOM 0 HG3 GLN A 50 3.931 15.242 -12.606 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.115 15.636 -10.711 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.047 17.196 -9.884 1.00 0.00 H new ATOM 789 N SER A 51 6.999 14.270 -10.068 1.00 0.00 N ATOM 790 CA SER A 51 6.888 12.963 -9.443 1.00 0.00 C ATOM 791 C SER A 51 6.772 13.117 -7.925 1.00 0.00 C ATOM 792 O SER A 51 7.438 13.964 -7.331 1.00 0.00 O ATOM 793 CB SER A 51 8.085 12.079 -9.797 1.00 0.00 C ATOM 794 OG SER A 51 9.304 12.596 -9.270 1.00 0.00 O ATOM 0 H SER A 51 7.608 14.926 -9.579 1.00 0.00 H new ATOM 0 HA SER A 51 5.989 12.478 -9.823 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.920 11.073 -9.410 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.165 11.994 -10.881 1.00 0.00 H new ATOM 0 HG SER A 51 10.044 12.003 -9.516 1.00 0.00 H new ATOM 800 N THR A 52 5.921 12.286 -7.341 1.00 0.00 N ATOM 801 CA THR A 52 5.710 12.319 -5.904 1.00 0.00 C ATOM 802 C THR A 52 5.532 10.901 -5.358 1.00 0.00 C ATOM 803 O THR A 52 4.734 10.126 -5.883 1.00 0.00 O ATOM 804 CB THR A 52 4.514 13.232 -5.623 1.00 0.00 C ATOM 805 OG1 THR A 52 5.023 14.546 -5.837 1.00 0.00 O ATOM 806 CG2 THR A 52 4.105 13.225 -4.149 1.00 0.00 C ATOM 0 H THR A 52 5.370 11.586 -7.837 1.00 0.00 H new ATOM 0 HA THR A 52 6.578 12.726 -5.386 1.00 0.00 H new ATOM 0 HB THR A 52 3.668 12.920 -6.235 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.312 15.202 -5.678 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.253 13.889 -4.005 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.831 12.213 -3.852 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.940 13.569 -3.538 1.00 0.00 H new ATOM 814 N ASP A 53 6.289 10.605 -4.313 1.00 0.00 N ATOM 815 CA ASP A 53 6.227 9.294 -3.690 1.00 0.00 C ATOM 816 C ASP A 53 5.630 9.429 -2.287 1.00 0.00 C ATOM 817 O ASP A 53 6.295 9.908 -1.370 1.00 0.00 O ATOM 818 CB ASP A 53 7.622 8.682 -3.553 1.00 0.00 C ATOM 819 CG ASP A 53 8.499 8.788 -4.803 1.00 0.00 C ATOM 820 OD1 ASP A 53 8.522 9.892 -5.388 1.00 0.00 O ATOM 821 OD2 ASP A 53 9.127 7.763 -5.143 1.00 0.00 O ATOM 0 H ASP A 53 6.950 11.251 -3.881 1.00 0.00 H new ATOM 0 HA ASP A 53 5.612 8.651 -4.319 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.136 9.168 -2.724 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.517 7.630 -3.289 1.00 0.00 H new ATOM 826 N TYR A 54 4.384 8.997 -2.164 1.00 0.00 N ATOM 827 CA TYR A 54 3.691 9.063 -0.889 1.00 0.00 C ATOM 828 C TYR A 54 2.604 7.990 -0.799 1.00 0.00 C ATOM 829 O TYR A 54 2.236 7.389 -1.807 1.00 0.00 O ATOM 830 CB TYR A 54 3.034 10.444 -0.837 1.00 0.00 C ATOM 831 CG TYR A 54 1.842 10.601 -1.782 1.00 0.00 C ATOM 832 CD1 TYR A 54 2.000 10.383 -3.135 1.00 0.00 C ATOM 833 CD2 TYR A 54 0.607 10.961 -1.281 1.00 0.00 C ATOM 834 CE1 TYR A 54 0.878 10.532 -4.024 1.00 0.00 C ATOM 835 CE2 TYR A 54 -0.516 11.109 -2.170 1.00 0.00 C ATOM 836 CZ TYR A 54 -0.325 10.887 -3.498 1.00 0.00 C ATOM 837 OH TYR A 54 -1.386 11.028 -4.338 1.00 0.00 O ATOM 0 H TYR A 54 3.836 8.600 -2.927 1.00 0.00 H new ATOM 0 HA TYR A 54 4.386 8.900 -0.066 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.704 10.640 0.183 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.780 11.200 -1.081 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.966 10.100 -3.527 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.483 11.132 -0.222 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.989 10.366 -5.085 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.488 11.390 -1.791 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.159 10.549 -3.972 1.00 0.00 H new ATOM 847 N GLY A 55 2.120 7.783 0.417 1.00 0.00 N ATOM 848 CA GLY A 55 1.082 6.794 0.651 1.00 0.00 C ATOM 849 C GLY A 55 1.575 5.696 1.597 1.00 0.00 C ATOM 850 O GLY A 55 2.772 5.422 1.666 1.00 0.00 O ATOM 0 H GLY A 55 2.428 8.284 1.251 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.203 7.278 1.076 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.775 6.352 -0.297 1.00 0.00 H new ATOM 854 N ILE A 56 0.626 5.098 2.302 1.00 0.00 N ATOM 855 CA ILE A 56 0.948 4.037 3.242 1.00 0.00 C ATOM 856 C ILE A 56 1.851 3.010 2.553 1.00 0.00 C ATOM 857 O ILE A 56 2.710 2.406 3.193 1.00 0.00 O ATOM 858 CB ILE A 56 -0.330 3.435 3.830 1.00 0.00 C ATOM 859 CG1 ILE A 56 -0.006 2.468 4.970 1.00 0.00 C ATOM 860 CG2 ILE A 56 -1.178 2.776 2.741 1.00 0.00 C ATOM 861 CD1 ILE A 56 -0.935 2.696 6.164 1.00 0.00 C ATOM 0 H ILE A 56 -0.366 5.328 2.241 1.00 0.00 H new ATOM 0 HA ILE A 56 1.504 4.435 4.091 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.925 4.244 4.254 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.105 1.441 4.619 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.030 2.601 5.281 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.080 2.356 3.186 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.454 3.521 1.995 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.605 1.981 2.265 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.683 1.995 6.960 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.816 3.717 6.528 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.969 2.539 5.856 1.00 0.00 H new ATOM 873 N PHE A 57 1.623 2.842 1.259 1.00 0.00 N ATOM 874 CA PHE A 57 2.404 1.899 0.478 1.00 0.00 C ATOM 875 C PHE A 57 3.427 2.627 -0.399 1.00 0.00 C ATOM 876 O PHE A 57 3.895 2.081 -1.396 1.00 0.00 O ATOM 877 CB PHE A 57 1.425 1.144 -0.422 1.00 0.00 C ATOM 878 CG PHE A 57 0.697 -0.006 0.278 1.00 0.00 C ATOM 879 CD1 PHE A 57 1.377 -0.828 1.121 1.00 0.00 C ATOM 880 CD2 PHE A 57 -0.630 -0.205 0.057 1.00 0.00 C ATOM 881 CE1 PHE A 57 0.701 -1.895 1.771 1.00 0.00 C ATOM 882 CE2 PHE A 57 -1.306 -1.271 0.708 1.00 0.00 C ATOM 883 CZ PHE A 57 -0.626 -2.094 1.550 1.00 0.00 C ATOM 0 H PHE A 57 0.908 3.343 0.732 1.00 0.00 H new ATOM 0 HA PHE A 57 2.947 1.227 1.142 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.686 1.847 -0.808 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.968 0.748 -1.280 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.431 -0.670 1.296 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.170 0.447 -0.613 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.241 -2.548 2.441 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.360 -1.428 0.534 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.140 -2.906 2.043 1.00 0.00 H new ATOM 893 N GLN A 58 3.741 3.849 0.006 1.00 0.00 N ATOM 894 CA GLN A 58 4.698 4.657 -0.731 1.00 0.00 C ATOM 895 C GLN A 58 4.517 4.455 -2.237 1.00 0.00 C ATOM 896 O GLN A 58 5.235 3.668 -2.851 1.00 0.00 O ATOM 897 CB GLN A 58 6.132 4.335 -0.303 1.00 0.00 C ATOM 898 CG GLN A 58 7.139 5.189 -1.075 1.00 0.00 C ATOM 899 CD GLN A 58 8.224 5.735 -0.143 1.00 0.00 C ATOM 900 OE1 GLN A 58 9.367 5.311 -0.165 1.00 0.00 O ATOM 901 NE2 GLN A 58 7.801 6.696 0.674 1.00 0.00 N ATOM 0 H GLN A 58 3.350 4.299 0.834 1.00 0.00 H new ATOM 0 HA GLN A 58 4.511 5.706 -0.501 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.244 4.512 0.767 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.338 3.279 -0.475 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.598 4.593 -1.863 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.622 6.016 -1.561 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.829 7.004 0.639 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.449 7.125 1.335 1.00 0.00 H new ATOM 910 N ILE A 59 3.554 5.178 -2.786 1.00 0.00 N ATOM 911 CA ILE A 59 3.269 5.088 -4.209 1.00 0.00 C ATOM 912 C ILE A 59 3.739 6.369 -4.901 1.00 0.00 C ATOM 913 O ILE A 59 3.696 7.449 -4.313 1.00 0.00 O ATOM 914 CB ILE A 59 1.790 4.772 -4.440 1.00 0.00 C ATOM 915 CG1 ILE A 59 1.459 3.344 -4.002 1.00 0.00 C ATOM 916 CG2 ILE A 59 1.395 5.032 -5.895 1.00 0.00 C ATOM 917 CD1 ILE A 59 -0.053 3.145 -3.874 1.00 0.00 C ATOM 0 H ILE A 59 2.960 5.829 -2.272 1.00 0.00 H new ATOM 0 HA ILE A 59 3.822 4.262 -4.657 1.00 0.00 H new ATOM 0 HB ILE A 59 1.196 5.444 -3.820 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.862 2.635 -4.725 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.939 3.133 -3.047 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.339 4.800 -6.032 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.570 6.080 -6.138 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.994 4.402 -6.553 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.260 2.122 -3.561 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.450 3.838 -3.132 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.528 3.333 -4.837 1.00 0.00 H new ATOM 929 N ASN A 60 4.177 6.207 -6.141 1.00 0.00 N ATOM 930 CA ASN A 60 4.656 7.337 -6.919 1.00 0.00 C ATOM 931 C ASN A 60 3.490 7.938 -7.706 1.00 0.00 C ATOM 932 O ASN A 60 2.668 7.210 -8.260 1.00 0.00 O ATOM 933 CB ASN A 60 5.727 6.901 -7.921 1.00 0.00 C ATOM 934 CG ASN A 60 7.111 7.397 -7.495 1.00 0.00 C ATOM 935 OD1 ASN A 60 7.998 6.630 -7.160 1.00 0.00 O ATOM 936 ND2 ASN A 60 7.244 8.720 -7.526 1.00 0.00 N ATOM 0 H ASN A 60 4.210 5.310 -6.626 1.00 0.00 H new ATOM 0 HA ASN A 60 5.082 8.066 -6.229 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.735 5.814 -8.000 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.485 7.291 -8.910 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.130 9.150 -7.259 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.460 9.305 -7.817 1.00 0.00 H new ATOM 943 N SER A 61 3.455 9.262 -7.729 1.00 0.00 N ATOM 944 CA SER A 61 2.403 9.971 -8.439 1.00 0.00 C ATOM 945 C SER A 61 2.838 10.250 -9.879 1.00 0.00 C ATOM 946 O SER A 61 2.106 10.877 -10.641 1.00 0.00 O ATOM 947 CB SER A 61 2.043 11.278 -7.729 1.00 0.00 C ATOM 948 OG SER A 61 0.909 11.910 -8.317 1.00 0.00 O ATOM 0 H SER A 61 4.138 9.863 -7.268 1.00 0.00 H new ATOM 0 HA SER A 61 1.514 9.340 -8.452 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.840 11.075 -6.677 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.895 11.957 -7.765 1.00 0.00 H new ATOM 0 HG SER A 61 0.103 11.668 -7.815 1.00 0.00 H new ATOM 954 N ARG A 62 4.030 9.770 -10.206 1.00 0.00 N ATOM 955 CA ARG A 62 4.571 9.961 -11.540 1.00 0.00 C ATOM 956 C ARG A 62 4.144 8.813 -12.456 1.00 0.00 C ATOM 957 O ARG A 62 4.625 8.700 -13.582 1.00 0.00 O ATOM 958 CB ARG A 62 6.100 10.036 -11.508 1.00 0.00 C ATOM 959 CG ARG A 62 6.704 8.713 -11.033 1.00 0.00 C ATOM 960 CD ARG A 62 7.949 8.356 -11.847 1.00 0.00 C ATOM 961 NE ARG A 62 7.553 7.783 -13.153 1.00 0.00 N ATOM 962 CZ ARG A 62 8.332 7.790 -14.243 1.00 0.00 C ATOM 963 NH1 ARG A 62 9.552 8.339 -14.191 1.00 0.00 N ATOM 964 NH2 ARG A 62 7.890 7.246 -15.385 1.00 0.00 N ATOM 0 H ARG A 62 4.635 9.250 -9.570 1.00 0.00 H new ATOM 0 HA ARG A 62 4.179 10.902 -11.925 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.477 10.276 -12.502 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.414 10.842 -10.845 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.964 8.786 -9.977 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.964 7.918 -11.125 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.560 9.245 -12.001 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.560 7.641 -11.297 1.00 0.00 H new ATOM 0 HE ARG A 62 6.630 7.356 -13.228 1.00 0.00 H new ATOM 0 HH11 ARG A 62 9.889 8.752 -13.321 1.00 0.00 H new ATOM 0 HH12 ARG A 62 10.145 8.344 -15.021 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.961 6.827 -15.424 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.483 7.251 -16.215 1.00 0.00 H new ATOM 978 N TYR A 63 3.244 7.989 -11.938 1.00 0.00 N ATOM 979 CA TYR A 63 2.746 6.853 -12.695 1.00 0.00 C ATOM 980 C TYR A 63 1.311 6.510 -12.288 1.00 0.00 C ATOM 981 O TYR A 63 0.446 6.332 -13.144 1.00 0.00 O ATOM 982 CB TYR A 63 3.658 5.678 -12.341 1.00 0.00 C ATOM 983 CG TYR A 63 4.574 5.234 -13.485 1.00 0.00 C ATOM 984 CD1 TYR A 63 4.036 4.916 -14.715 1.00 0.00 C ATOM 985 CD2 TYR A 63 5.937 5.155 -13.285 1.00 0.00 C ATOM 986 CE1 TYR A 63 4.897 4.499 -15.791 1.00 0.00 C ATOM 987 CE2 TYR A 63 6.798 4.737 -14.361 1.00 0.00 C ATOM 988 CZ TYR A 63 6.236 4.430 -15.561 1.00 0.00 C ATOM 989 OH TYR A 63 7.050 4.037 -16.577 1.00 0.00 O ATOM 0 H TYR A 63 2.847 8.086 -11.003 1.00 0.00 H new ATOM 0 HA TYR A 63 2.744 7.074 -13.762 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.272 5.953 -11.484 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.042 4.833 -12.034 1.00 0.00 H new ATOM 0 HD1 TYR A 63 2.969 4.980 -14.871 1.00 0.00 H new ATOM 0 HD2 TYR A 63 6.358 5.406 -12.323 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.489 4.247 -16.759 1.00 0.00 H new ATOM 0 HE2 TYR A 63 7.866 4.669 -14.218 1.00 0.00 H new ATOM 0 HH TYR A 63 7.980 4.035 -16.269 1.00 0.00 H new ATOM 999 N TRP A 64 1.104 6.428 -10.982 1.00 0.00 N ATOM 1000 CA TRP A 64 -0.210 6.109 -10.451 1.00 0.00 C ATOM 1001 C TRP A 64 -0.776 7.373 -9.801 1.00 0.00 C ATOM 1002 O TRP A 64 -0.039 8.318 -9.526 1.00 0.00 O ATOM 1003 CB TRP A 64 -0.141 4.922 -9.488 1.00 0.00 C ATOM 1004 CG TRP A 64 0.331 3.620 -10.140 1.00 0.00 C ATOM 1005 CD1 TRP A 64 -0.389 2.751 -10.862 1.00 0.00 C ATOM 1006 CD2 TRP A 64 1.665 3.072 -10.098 1.00 0.00 C ATOM 1007 NE1 TRP A 64 0.380 1.687 -11.287 1.00 0.00 N ATOM 1008 CE2 TRP A 64 1.669 1.888 -10.808 1.00 0.00 C ATOM 1009 CE3 TRP A 64 2.831 3.559 -9.481 1.00 0.00 C ATOM 1010 CZ2 TRP A 64 2.810 1.094 -10.968 1.00 0.00 C ATOM 1011 CZ3 TRP A 64 3.963 2.753 -9.650 1.00 0.00 C ATOM 1012 CH2 TRP A 64 3.984 1.559 -10.362 1.00 0.00 C ATOM 0 H TRP A 64 1.825 6.577 -10.276 1.00 0.00 H new ATOM 0 HA TRP A 64 -0.882 5.796 -11.250 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.532 5.171 -8.668 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.128 4.762 -9.053 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -1.439 2.868 -11.084 1.00 0.00 H new ATOM 0 HE1 TRP A 64 0.061 0.898 -11.849 1.00 0.00 H new ATOM 0 HE3 TRP A 64 2.852 4.482 -8.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 2.787 0.171 -11.529 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 4.886 3.082 -9.195 1.00 0.00 H new ATOM 0 HH2 TRP A 64 4.900 0.993 -10.447 1.00 0.00 H new ATOM 1023 N CYS A 65 -2.082 7.349 -9.574 1.00 0.00 N ATOM 1024 CA CYS A 65 -2.757 8.481 -8.962 1.00 0.00 C ATOM 1025 C CYS A 65 -2.594 9.693 -9.883 1.00 0.00 C ATOM 1026 O CYS A 65 -1.531 9.893 -10.468 1.00 0.00 O ATOM 1027 CB CYS A 65 -2.228 8.760 -7.554 1.00 0.00 C ATOM 1028 SG CYS A 65 -1.074 10.175 -7.433 1.00 0.00 S ATOM 0 H CYS A 65 -2.690 6.563 -9.803 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.817 8.256 -8.844 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.075 8.943 -6.893 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.724 7.866 -7.187 1.00 0.00 H new ATOM 1033 N ASN A 66 -3.664 10.469 -9.983 1.00 0.00 N ATOM 1034 CA ASN A 66 -3.653 11.654 -10.822 1.00 0.00 C ATOM 1035 C ASN A 66 -3.942 12.885 -9.961 1.00 0.00 C ATOM 1036 O ASN A 66 -4.115 12.772 -8.748 1.00 0.00 O ATOM 1037 CB ASN A 66 -4.730 11.571 -11.905 1.00 0.00 C ATOM 1038 CG ASN A 66 -6.017 10.956 -11.353 1.00 0.00 C ATOM 1039 OD1 ASN A 66 -6.184 10.769 -10.159 1.00 0.00 O ATOM 1040 ND2 ASN A 66 -6.915 10.654 -12.286 1.00 0.00 N ATOM 0 H ASN A 66 -4.544 10.299 -9.496 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.673 11.726 -11.293 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.937 12.568 -12.294 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.366 10.972 -12.740 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.808 10.239 -12.019 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.711 10.837 -13.268 1.00 0.00 H new ATOM 1047 N ASP A 67 -3.984 14.033 -10.621 1.00 0.00 N ATOM 1048 CA ASP A 67 -4.249 15.285 -9.932 1.00 0.00 C ATOM 1049 C ASP A 67 -5.306 16.075 -10.705 1.00 0.00 C ATOM 1050 O ASP A 67 -6.262 16.578 -10.119 1.00 0.00 O ATOM 1051 CB ASP A 67 -2.985 16.143 -9.844 1.00 0.00 C ATOM 1052 CG ASP A 67 -3.187 17.528 -9.225 1.00 0.00 C ATOM 1053 OD1 ASP A 67 -4.330 18.025 -9.306 1.00 0.00 O ATOM 1054 OD2 ASP A 67 -2.191 18.058 -8.686 1.00 0.00 O ATOM 0 H ASP A 67 -3.839 14.123 -11.627 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.595 15.049 -8.926 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.239 15.605 -9.259 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.576 16.266 -10.847 1.00 0.00 H new ATOM 1059 N GLY A 68 -5.096 16.159 -12.012 1.00 0.00 N ATOM 1060 CA GLY A 68 -6.019 16.880 -12.872 1.00 0.00 C ATOM 1061 C GLY A 68 -5.474 18.266 -13.221 1.00 0.00 C ATOM 1062 O GLY A 68 -6.103 19.015 -13.968 1.00 0.00 O ATOM 0 H GLY A 68 -4.301 15.740 -12.495 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.189 16.311 -13.786 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -6.984 16.979 -12.374 1.00 0.00 H new ATOM 1066 N LYS A 69 -4.311 18.567 -12.664 1.00 0.00 N ATOM 1067 CA LYS A 69 -3.674 19.851 -12.907 1.00 0.00 C ATOM 1068 C LYS A 69 -2.367 19.630 -13.670 1.00 0.00 C ATOM 1069 O LYS A 69 -1.711 20.589 -14.076 1.00 0.00 O ATOM 1070 CB LYS A 69 -3.498 20.618 -11.594 1.00 0.00 C ATOM 1071 CG LYS A 69 -4.825 21.222 -11.130 1.00 0.00 C ATOM 1072 CD LYS A 69 -4.808 21.486 -9.623 1.00 0.00 C ATOM 1073 CE LYS A 69 -6.045 20.889 -8.948 1.00 0.00 C ATOM 1074 NZ LYS A 69 -6.359 21.620 -7.700 1.00 0.00 N ATOM 0 H LYS A 69 -3.792 17.944 -12.045 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.307 20.479 -13.534 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -3.111 19.948 -10.826 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.761 21.410 -11.727 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.012 22.154 -11.664 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.643 20.545 -11.375 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.907 21.056 -9.185 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.771 22.560 -9.439 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.896 20.936 -9.628 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.873 19.836 -8.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.201 21.202 -7.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.553 21.553 -7.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.544 22.619 -7.920 1.00 0.00 H new ATOM 1088 N THR A 70 -2.026 18.361 -13.843 1.00 0.00 N ATOM 1089 CA THR A 70 -0.809 18.002 -14.551 1.00 0.00 C ATOM 1090 C THR A 70 -1.108 16.961 -15.631 1.00 0.00 C ATOM 1091 O THR A 70 -1.066 15.759 -15.368 1.00 0.00 O ATOM 1092 CB THR A 70 0.217 17.531 -13.519 1.00 0.00 C ATOM 1093 OG1 THR A 70 0.771 18.739 -13.005 1.00 0.00 O ATOM 1094 CG2 THR A 70 1.408 16.818 -14.161 1.00 0.00 C ATOM 0 H THR A 70 -2.572 17.569 -13.505 1.00 0.00 H new ATOM 0 HA THR A 70 -0.390 18.859 -15.078 1.00 0.00 H new ATOM 0 HB THR A 70 -0.265 16.862 -12.807 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.446 18.527 -12.327 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.106 16.504 -13.385 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.057 15.943 -14.708 1.00 0.00 H new ATOM 0 HG23 THR A 70 1.912 17.498 -14.848 1.00 0.00 H new ATOM 1102 N PRO A 71 -1.411 17.471 -16.854 1.00 0.00 N ATOM 1103 CA PRO A 71 -1.716 16.597 -17.974 1.00 0.00 C ATOM 1104 C PRO A 71 -0.446 15.944 -18.523 1.00 0.00 C ATOM 1105 O PRO A 71 -0.153 16.052 -19.713 1.00 0.00 O ATOM 1106 CB PRO A 71 -2.412 17.488 -18.990 1.00 0.00 C ATOM 1107 CG PRO A 71 -2.058 18.915 -18.603 1.00 0.00 C ATOM 1108 CD PRO A 71 -1.471 18.887 -17.202 1.00 0.00 C ATOM 0 HA PRO A 71 -2.356 15.761 -17.692 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.076 17.263 -20.002 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.491 17.334 -18.971 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.341 19.335 -19.309 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.944 19.549 -18.633 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -0.481 19.343 -17.178 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.094 19.441 -16.500 1.00 0.00 H new ATOM 1116 N ARG A 72 0.274 15.282 -17.630 1.00 0.00 N ATOM 1117 CA ARG A 72 1.506 14.612 -18.010 1.00 0.00 C ATOM 1118 C ARG A 72 1.558 13.210 -17.399 1.00 0.00 C ATOM 1119 O ARG A 72 1.696 12.221 -18.117 1.00 0.00 O ATOM 1120 CB ARG A 72 2.730 15.407 -17.550 1.00 0.00 C ATOM 1121 CG ARG A 72 3.542 15.905 -18.747 1.00 0.00 C ATOM 1122 CD ARG A 72 3.260 17.383 -19.024 1.00 0.00 C ATOM 1123 NE ARG A 72 3.323 17.646 -20.479 1.00 0.00 N ATOM 1124 CZ ARG A 72 3.318 18.871 -21.022 1.00 0.00 C ATOM 1125 NH1 ARG A 72 3.256 19.953 -20.234 1.00 0.00 N ATOM 1126 NH2 ARG A 72 3.378 19.014 -22.353 1.00 0.00 N ATOM 0 H ARG A 72 0.028 15.195 -16.644 1.00 0.00 H new ATOM 0 HA ARG A 72 1.522 14.539 -19.097 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.411 16.255 -16.945 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.357 14.781 -16.916 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.605 15.764 -18.554 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.297 15.313 -19.629 1.00 0.00 H new ATOM 0 HD2 ARG A 72 2.276 17.652 -18.640 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.987 18.005 -18.502 1.00 0.00 H new ATOM 0 HE ARG A 72 3.373 16.845 -21.108 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.213 19.844 -19.221 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.252 20.885 -20.647 1.00 0.00 H new ATOM 0 HH21 ARG A 72 3.427 18.190 -22.953 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.374 19.946 -22.766 1.00 0.00 H new ATOM 1140 N ALA A 73 1.446 13.169 -16.079 1.00 0.00 N ATOM 1141 CA ALA A 73 1.478 11.906 -15.364 1.00 0.00 C ATOM 1142 C ALA A 73 0.661 10.867 -16.134 1.00 0.00 C ATOM 1143 O ALA A 73 -0.174 11.221 -16.966 1.00 0.00 O ATOM 1144 CB ALA A 73 0.963 12.112 -13.938 1.00 0.00 C ATOM 0 H ALA A 73 1.333 13.991 -15.486 1.00 0.00 H new ATOM 0 HA ALA A 73 2.500 11.534 -15.291 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.987 11.163 -13.402 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.595 12.836 -13.424 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.061 12.484 -13.971 1.00 0.00 H new ATOM 1150 N VAL A 74 0.930 9.606 -15.831 1.00 0.00 N ATOM 1151 CA VAL A 74 0.230 8.513 -16.485 1.00 0.00 C ATOM 1152 C VAL A 74 -0.494 7.672 -15.430 1.00 0.00 C ATOM 1153 O VAL A 74 -0.333 6.454 -15.387 1.00 0.00 O ATOM 1154 CB VAL A 74 1.208 7.697 -17.332 1.00 0.00 C ATOM 1155 CG1 VAL A 74 2.435 7.290 -16.514 1.00 0.00 C ATOM 1156 CG2 VAL A 74 0.520 6.472 -17.937 1.00 0.00 C ATOM 0 H VAL A 74 1.623 9.316 -15.141 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.527 8.899 -17.168 1.00 0.00 H new ATOM 0 HB VAL A 74 1.548 8.329 -18.153 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.114 6.711 -17.140 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.946 8.184 -16.155 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.121 6.685 -15.663 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.238 5.910 -18.534 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.137 5.838 -17.137 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.306 6.795 -18.571 1.00 0.00 H new ATOM 1166 N ASN A 75 -1.273 8.357 -14.606 1.00 0.00 N ATOM 1167 CA ASN A 75 -2.021 7.688 -13.555 1.00 0.00 C ATOM 1168 C ASN A 75 -2.539 6.347 -14.078 1.00 0.00 C ATOM 1169 O ASN A 75 -3.568 6.294 -14.750 1.00 0.00 O ATOM 1170 CB ASN A 75 -3.225 8.524 -13.119 1.00 0.00 C ATOM 1171 CG ASN A 75 -4.148 8.816 -14.304 1.00 0.00 C ATOM 1172 OD1 ASN A 75 -3.778 8.682 -15.459 1.00 0.00 O ATOM 1173 ND2 ASN A 75 -5.365 9.222 -13.956 1.00 0.00 N ATOM 0 H ASN A 75 -1.402 9.368 -14.645 1.00 0.00 H new ATOM 0 HA ASN A 75 -1.354 7.546 -12.704 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.779 7.994 -12.344 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.882 9.461 -12.681 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.054 9.443 -14.675 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.610 9.313 -12.970 1.00 0.00 H new ATOM 1180 N ALA A 76 -1.803 5.295 -13.750 1.00 0.00 N ATOM 1181 CA ALA A 76 -2.176 3.958 -14.178 1.00 0.00 C ATOM 1182 C ALA A 76 -3.195 3.378 -13.196 1.00 0.00 C ATOM 1183 O ALA A 76 -3.820 2.355 -13.475 1.00 0.00 O ATOM 1184 CB ALA A 76 -0.921 3.091 -14.295 1.00 0.00 C ATOM 0 H ALA A 76 -0.950 5.342 -13.193 1.00 0.00 H new ATOM 0 HA ALA A 76 -2.646 3.987 -15.161 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -1.201 2.088 -14.616 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.242 3.530 -15.026 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.425 3.037 -13.326 1.00 0.00 H new ATOM 1190 N CYS A 77 -3.333 4.056 -12.066 1.00 0.00 N ATOM 1191 CA CYS A 77 -4.266 3.622 -11.041 1.00 0.00 C ATOM 1192 C CYS A 77 -5.617 4.287 -11.309 1.00 0.00 C ATOM 1193 O CYS A 77 -6.665 3.669 -11.120 1.00 0.00 O ATOM 1194 CB CYS A 77 -3.747 3.931 -9.635 1.00 0.00 C ATOM 1195 SG CYS A 77 -4.677 3.128 -8.279 1.00 0.00 S ATOM 0 H CYS A 77 -2.813 4.904 -11.838 1.00 0.00 H new ATOM 0 HA CYS A 77 -4.380 2.539 -11.085 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -2.703 3.623 -9.573 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -3.771 5.010 -9.483 1.00 0.00 H new ATOM 1200 N GLY A 78 -5.551 5.537 -11.742 1.00 0.00 N ATOM 1201 CA GLY A 78 -6.756 6.292 -12.037 1.00 0.00 C ATOM 1202 C GLY A 78 -7.542 6.594 -10.759 1.00 0.00 C ATOM 1203 O GLY A 78 -8.716 6.246 -10.651 1.00 0.00 O ATOM 0 H GLY A 78 -4.681 6.046 -11.896 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.492 7.225 -12.535 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.382 5.728 -12.728 1.00 0.00 H new ATOM 1207 N ILE A 79 -6.859 7.238 -9.823 1.00 0.00 N ATOM 1208 CA ILE A 79 -7.479 7.592 -8.556 1.00 0.00 C ATOM 1209 C ILE A 79 -6.913 8.928 -8.073 1.00 0.00 C ATOM 1210 O ILE A 79 -5.761 9.256 -8.352 1.00 0.00 O ATOM 1211 CB ILE A 79 -7.317 6.454 -7.546 1.00 0.00 C ATOM 1212 CG1 ILE A 79 -6.133 6.713 -6.613 1.00 0.00 C ATOM 1213 CG2 ILE A 79 -7.202 5.102 -8.255 1.00 0.00 C ATOM 1214 CD1 ILE A 79 -4.804 6.523 -7.347 1.00 0.00 C ATOM 0 H ILE A 79 -5.884 7.523 -9.916 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.553 7.727 -8.681 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.214 6.418 -6.927 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.192 7.727 -6.217 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.182 6.035 -5.761 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -7.088 4.311 -7.514 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.102 4.922 -8.843 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -6.334 5.110 -8.914 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.979 6.713 -6.661 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.737 5.501 -7.720 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.748 7.219 -8.184 1.00 0.00 H new ATOM 1226 N ASN A 80 -7.750 9.663 -7.355 1.00 0.00 N ATOM 1227 CA ASN A 80 -7.349 10.957 -6.831 1.00 0.00 C ATOM 1228 C ASN A 80 -6.103 10.784 -5.959 1.00 0.00 C ATOM 1229 O ASN A 80 -6.105 9.997 -5.014 1.00 0.00 O ATOM 1230 CB ASN A 80 -8.451 11.566 -5.962 1.00 0.00 C ATOM 1231 CG ASN A 80 -9.319 12.529 -6.774 1.00 0.00 C ATOM 1232 OD1 ASN A 80 -8.846 13.265 -7.625 1.00 0.00 O ATOM 1233 ND2 ASN A 80 -10.611 12.485 -6.465 1.00 0.00 N ATOM 0 H ASN A 80 -8.704 9.387 -7.124 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.151 11.616 -7.676 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -9.072 10.772 -5.547 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.005 12.095 -5.120 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -11.272 13.091 -6.951 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -10.941 11.845 -5.742 1.00 0.00 H new ATOM 1240 N CYS A 81 -5.067 11.533 -6.309 1.00 0.00 N ATOM 1241 CA CYS A 81 -3.816 11.472 -5.571 1.00 0.00 C ATOM 1242 C CYS A 81 -4.127 11.654 -4.084 1.00 0.00 C ATOM 1243 O CYS A 81 -3.471 11.056 -3.231 1.00 0.00 O ATOM 1244 CB CYS A 81 -2.811 12.511 -6.074 1.00 0.00 C ATOM 1245 SG CYS A 81 -1.758 11.950 -7.461 1.00 0.00 S ATOM 0 H CYS A 81 -5.068 12.185 -7.093 1.00 0.00 H new ATOM 0 HA CYS A 81 -3.345 10.501 -5.728 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -3.356 13.401 -6.387 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -2.168 12.806 -5.244 1.00 0.00 H new ATOM 1250 N SER A 82 -5.128 12.480 -3.818 1.00 0.00 N ATOM 1251 CA SER A 82 -5.534 12.746 -2.448 1.00 0.00 C ATOM 1252 C SER A 82 -5.960 11.445 -1.766 1.00 0.00 C ATOM 1253 O SER A 82 -5.898 11.332 -0.542 1.00 0.00 O ATOM 1254 CB SER A 82 -6.671 13.768 -2.400 1.00 0.00 C ATOM 1255 OG SER A 82 -6.511 14.696 -1.330 1.00 0.00 O ATOM 0 H SER A 82 -5.670 12.974 -4.527 1.00 0.00 H new ATOM 0 HA SER A 82 -4.682 13.166 -1.914 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.712 14.309 -3.346 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.622 13.247 -2.289 1.00 0.00 H new ATOM 0 HG SER A 82 -7.256 15.333 -1.335 1.00 0.00 H new ATOM 1261 N ALA A 83 -6.384 10.495 -2.586 1.00 0.00 N ATOM 1262 CA ALA A 83 -6.820 9.206 -2.077 1.00 0.00 C ATOM 1263 C ALA A 83 -5.649 8.516 -1.376 1.00 0.00 C ATOM 1264 O ALA A 83 -5.844 7.554 -0.634 1.00 0.00 O ATOM 1265 CB ALA A 83 -7.387 8.369 -3.226 1.00 0.00 C ATOM 0 H ALA A 83 -6.435 10.592 -3.600 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.615 9.333 -1.342 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.714 7.402 -2.845 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.235 8.889 -3.671 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.616 8.219 -3.982 1.00 0.00 H new ATOM 1271 N LEU A 84 -4.458 9.035 -1.634 1.00 0.00 N ATOM 1272 CA LEU A 84 -3.255 8.481 -1.036 1.00 0.00 C ATOM 1273 C LEU A 84 -2.860 9.323 0.179 1.00 0.00 C ATOM 1274 O LEU A 84 -1.838 9.063 0.813 1.00 0.00 O ATOM 1275 CB LEU A 84 -2.146 8.354 -2.083 1.00 0.00 C ATOM 1276 CG LEU A 84 -2.490 7.535 -3.328 1.00 0.00 C ATOM 1277 CD1 LEU A 84 -1.228 7.188 -4.122 1.00 0.00 C ATOM 1278 CD2 LEU A 84 -3.295 6.288 -2.959 1.00 0.00 C ATOM 0 H LEU A 84 -4.300 9.833 -2.249 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.440 7.469 -0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.856 9.356 -2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.274 7.906 -1.607 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.120 8.145 -3.975 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.501 6.606 -5.002 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.731 8.106 -4.434 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.553 6.605 -3.496 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.526 5.724 -3.862 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.711 5.665 -2.282 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.222 6.585 -2.469 1.00 0.00 H new ATOM 1290 N LEU A 85 -3.690 10.314 0.467 1.00 0.00 N ATOM 1291 CA LEU A 85 -3.441 11.196 1.595 1.00 0.00 C ATOM 1292 C LEU A 85 -4.754 11.453 2.336 1.00 0.00 C ATOM 1293 O LEU A 85 -4.827 12.336 3.189 1.00 0.00 O ATOM 1294 CB LEU A 85 -2.736 12.472 1.132 1.00 0.00 C ATOM 1295 CG LEU A 85 -1.361 12.740 1.747 1.00 0.00 C ATOM 1296 CD1 LEU A 85 -0.624 13.843 0.985 1.00 0.00 C ATOM 1297 CD2 LEU A 85 -1.480 13.057 3.240 1.00 0.00 C ATOM 0 H LEU A 85 -4.536 10.526 -0.061 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.762 10.724 2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.625 12.429 0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.383 13.321 1.353 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.764 11.832 1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.350 14.013 1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.489 13.540 -0.053 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.208 14.763 1.021 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.488 13.243 3.653 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.102 13.942 3.376 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.935 12.212 3.756 1.00 0.00 H new ATOM 1309 N GLN A 86 -5.760 10.666 1.982 1.00 0.00 N ATOM 1310 CA GLN A 86 -7.067 10.798 2.604 1.00 0.00 C ATOM 1311 C GLN A 86 -7.164 9.895 3.834 1.00 0.00 C ATOM 1312 O GLN A 86 -6.171 9.300 4.252 1.00 0.00 O ATOM 1313 CB GLN A 86 -8.183 10.483 1.605 1.00 0.00 C ATOM 1314 CG GLN A 86 -8.254 11.549 0.509 1.00 0.00 C ATOM 1315 CD GLN A 86 -9.619 12.241 0.506 1.00 0.00 C ATOM 1316 OE1 GLN A 86 -10.503 11.924 -0.273 1.00 0.00 O ATOM 1317 NE2 GLN A 86 -9.741 13.201 1.419 1.00 0.00 N ATOM 0 H GLN A 86 -5.696 9.935 1.273 1.00 0.00 H new ATOM 0 HA GLN A 86 -7.191 11.832 2.926 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.009 9.505 1.156 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -9.138 10.428 2.127 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.468 12.288 0.664 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -8.073 11.090 -0.463 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -8.961 13.416 2.040 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -10.614 13.722 1.498 1.00 0.00 H new ATOM 1326 N ASP A 87 -8.367 9.820 4.382 1.00 0.00 N ATOM 1327 CA ASP A 87 -8.606 9.000 5.557 1.00 0.00 C ATOM 1328 C ASP A 87 -8.823 7.549 5.126 1.00 0.00 C ATOM 1329 O ASP A 87 -7.969 6.694 5.355 1.00 0.00 O ATOM 1330 CB ASP A 87 -9.857 9.463 6.307 1.00 0.00 C ATOM 1331 CG ASP A 87 -10.479 8.417 7.234 1.00 0.00 C ATOM 1332 OD1 ASP A 87 -9.771 7.999 8.176 1.00 0.00 O ATOM 1333 OD2 ASP A 87 -11.650 8.058 6.980 1.00 0.00 O ATOM 0 H ASP A 87 -9.188 10.314 4.034 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.739 9.089 6.212 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.604 10.344 6.896 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -10.606 9.772 5.578 1.00 0.00 H new ATOM 1338 N ASP A 88 -9.972 7.315 4.508 1.00 0.00 N ATOM 1339 CA ASP A 88 -10.313 5.981 4.042 1.00 0.00 C ATOM 1340 C ASP A 88 -9.178 5.447 3.165 1.00 0.00 C ATOM 1341 O ASP A 88 -8.770 6.100 2.206 1.00 0.00 O ATOM 1342 CB ASP A 88 -11.591 6.002 3.201 1.00 0.00 C ATOM 1343 CG ASP A 88 -12.885 6.187 3.996 1.00 0.00 C ATOM 1344 OD1 ASP A 88 -12.772 6.417 5.219 1.00 0.00 O ATOM 1345 OD2 ASP A 88 -13.958 6.096 3.361 1.00 0.00 O ATOM 0 H ASP A 88 -10.678 8.026 4.319 1.00 0.00 H new ATOM 0 HA ASP A 88 -10.466 5.347 4.915 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.514 6.806 2.470 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -11.656 5.068 2.642 1.00 0.00 H new ATOM 1350 N ILE A 89 -8.702 4.264 3.526 1.00 0.00 N ATOM 1351 CA ILE A 89 -7.623 3.635 2.784 1.00 0.00 C ATOM 1352 C ILE A 89 -8.209 2.838 1.617 1.00 0.00 C ATOM 1353 O ILE A 89 -7.475 2.193 0.869 1.00 0.00 O ATOM 1354 CB ILE A 89 -6.746 2.798 3.720 1.00 0.00 C ATOM 1355 CG1 ILE A 89 -7.459 1.508 4.131 1.00 0.00 C ATOM 1356 CG2 ILE A 89 -6.300 3.619 4.931 1.00 0.00 C ATOM 1357 CD1 ILE A 89 -6.480 0.334 4.178 1.00 0.00 C ATOM 0 H ILE A 89 -9.044 3.725 4.322 1.00 0.00 H new ATOM 0 HA ILE A 89 -6.964 4.391 2.356 1.00 0.00 H new ATOM 0 HB ILE A 89 -5.845 2.508 3.178 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -7.922 1.640 5.109 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -8.261 1.290 3.425 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -5.679 3.002 5.580 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.727 4.483 4.594 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -7.176 3.958 5.483 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -7.011 -0.571 4.473 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -6.037 0.190 3.193 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -5.693 0.545 4.902 1.00 0.00 H new ATOM 1369 N THR A 90 -9.527 2.910 1.495 1.00 0.00 N ATOM 1370 CA THR A 90 -10.220 2.204 0.431 1.00 0.00 C ATOM 1371 C THR A 90 -9.472 2.369 -0.893 1.00 0.00 C ATOM 1372 O THR A 90 -9.428 1.445 -1.705 1.00 0.00 O ATOM 1373 CB THR A 90 -11.660 2.717 0.384 1.00 0.00 C ATOM 1374 OG1 THR A 90 -12.444 1.584 0.746 1.00 0.00 O ATOM 1375 CG2 THR A 90 -12.118 3.047 -1.039 1.00 0.00 C ATOM 0 H THR A 90 -10.133 3.447 2.116 1.00 0.00 H new ATOM 0 HA THR A 90 -10.248 1.131 0.620 1.00 0.00 H new ATOM 0 HB THR A 90 -11.749 3.605 1.010 1.00 0.00 H new ATOM 0 HG1 THR A 90 -13.393 1.828 0.743 1.00 0.00 H new ATOM 0 HG21 THR A 90 -13.147 3.407 -1.016 1.00 0.00 H new ATOM 0 HG22 THR A 90 -11.473 3.819 -1.459 1.00 0.00 H new ATOM 0 HG23 THR A 90 -12.061 2.151 -1.657 1.00 0.00 H new ATOM 1383 N ALA A 91 -8.902 3.552 -1.072 1.00 0.00 N ATOM 1384 CA ALA A 91 -8.158 3.850 -2.283 1.00 0.00 C ATOM 1385 C ALA A 91 -6.800 3.148 -2.228 1.00 0.00 C ATOM 1386 O ALA A 91 -6.330 2.618 -3.233 1.00 0.00 O ATOM 1387 CB ALA A 91 -8.026 5.365 -2.442 1.00 0.00 C ATOM 0 H ALA A 91 -8.941 4.316 -0.397 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.687 3.476 -3.160 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.467 5.588 -3.351 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.018 5.812 -2.507 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.498 5.777 -1.582 1.00 0.00 H new ATOM 1393 N ALA A 92 -6.207 3.169 -1.043 1.00 0.00 N ATOM 1394 CA ALA A 92 -4.912 2.542 -0.844 1.00 0.00 C ATOM 1395 C ALA A 92 -5.015 1.051 -1.174 1.00 0.00 C ATOM 1396 O ALA A 92 -4.112 0.483 -1.787 1.00 0.00 O ATOM 1397 CB ALA A 92 -4.439 2.790 0.591 1.00 0.00 C ATOM 0 H ALA A 92 -6.600 3.610 -0.212 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.169 2.977 -1.512 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.467 2.319 0.740 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.353 3.863 0.766 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.159 2.365 1.290 1.00 0.00 H new ATOM 1403 N ILE A 93 -6.122 0.460 -0.752 1.00 0.00 N ATOM 1404 CA ILE A 93 -6.356 -0.953 -0.995 1.00 0.00 C ATOM 1405 C ILE A 93 -6.734 -1.159 -2.463 1.00 0.00 C ATOM 1406 O ILE A 93 -6.129 -1.976 -3.155 1.00 0.00 O ATOM 1407 CB ILE A 93 -7.391 -1.503 -0.012 1.00 0.00 C ATOM 1408 CG1 ILE A 93 -7.116 -1.005 1.410 1.00 0.00 C ATOM 1409 CG2 ILE A 93 -7.457 -3.030 -0.080 1.00 0.00 C ATOM 1410 CD1 ILE A 93 -8.051 -1.678 2.417 1.00 0.00 C ATOM 0 H ILE A 93 -6.868 0.934 -0.243 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.445 -1.524 -0.816 1.00 0.00 H new ATOM 0 HB ILE A 93 -8.371 -1.125 -0.303 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -6.079 -1.211 1.677 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -7.248 0.076 1.452 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -8.201 -3.394 0.629 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.736 -3.338 -1.088 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.482 -3.448 0.170 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -7.835 -1.307 3.419 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -9.086 -1.450 2.161 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -7.899 -2.757 2.389 1.00 0.00 H new ATOM 1422 N GLN A 94 -7.732 -0.402 -2.895 1.00 0.00 N ATOM 1423 CA GLN A 94 -8.197 -0.491 -4.269 1.00 0.00 C ATOM 1424 C GLN A 94 -7.041 -0.239 -5.238 1.00 0.00 C ATOM 1425 O GLN A 94 -6.898 -0.946 -6.236 1.00 0.00 O ATOM 1426 CB GLN A 94 -9.347 0.486 -4.522 1.00 0.00 C ATOM 1427 CG GLN A 94 -10.173 0.058 -5.738 1.00 0.00 C ATOM 1428 CD GLN A 94 -11.384 -0.774 -5.313 1.00 0.00 C ATOM 1429 OE1 GLN A 94 -11.571 -1.095 -4.151 1.00 0.00 O ATOM 1430 NE2 GLN A 94 -12.193 -1.103 -6.315 1.00 0.00 N ATOM 0 H GLN A 94 -8.231 0.275 -2.318 1.00 0.00 H new ATOM 0 HA GLN A 94 -8.575 -1.499 -4.440 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -9.988 0.535 -3.642 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -8.949 1.488 -4.683 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -10.507 0.940 -6.284 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -9.550 -0.522 -6.419 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -11.977 -0.801 -7.265 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -13.030 -1.657 -6.134 1.00 0.00 H new ATOM 1439 N CYS A 95 -6.246 0.769 -4.913 1.00 0.00 N ATOM 1440 CA CYS A 95 -5.106 1.121 -5.742 1.00 0.00 C ATOM 1441 C CYS A 95 -4.057 0.015 -5.613 1.00 0.00 C ATOM 1442 O CYS A 95 -3.606 -0.537 -6.615 1.00 0.00 O ATOM 1443 CB CYS A 95 -4.538 2.493 -5.370 1.00 0.00 C ATOM 1444 SG CYS A 95 -3.407 3.218 -6.612 1.00 0.00 S ATOM 0 H CYS A 95 -6.369 1.354 -4.086 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.421 1.201 -6.782 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -5.367 3.182 -5.208 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -4.006 2.406 -4.422 1.00 0.00 H new ATOM 1449 N ALA A 96 -3.699 -0.275 -4.371 1.00 0.00 N ATOM 1450 CA ALA A 96 -2.711 -1.305 -4.098 1.00 0.00 C ATOM 1451 C ALA A 96 -2.994 -2.523 -4.979 1.00 0.00 C ATOM 1452 O ALA A 96 -2.089 -3.053 -5.621 1.00 0.00 O ATOM 1453 CB ALA A 96 -2.729 -1.647 -2.606 1.00 0.00 C ATOM 0 H ALA A 96 -4.075 0.185 -3.542 1.00 0.00 H new ATOM 0 HA ALA A 96 -1.709 -0.950 -4.339 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -1.988 -2.420 -2.401 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -2.494 -0.755 -2.025 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.718 -2.010 -2.328 1.00 0.00 H new ATOM 1459 N LYS A 97 -4.255 -2.932 -4.981 1.00 0.00 N ATOM 1460 CA LYS A 97 -4.669 -4.078 -5.773 1.00 0.00 C ATOM 1461 C LYS A 97 -4.662 -3.698 -7.255 1.00 0.00 C ATOM 1462 O LYS A 97 -4.254 -4.491 -8.101 1.00 0.00 O ATOM 1463 CB LYS A 97 -6.015 -4.611 -5.280 1.00 0.00 C ATOM 1464 CG LYS A 97 -7.145 -3.631 -5.606 1.00 0.00 C ATOM 1465 CD LYS A 97 -8.487 -4.357 -5.712 1.00 0.00 C ATOM 1466 CE LYS A 97 -9.590 -3.581 -4.991 1.00 0.00 C ATOM 1467 NZ LYS A 97 -10.841 -4.371 -4.954 1.00 0.00 N ATOM 0 H LYS A 97 -5.003 -2.490 -4.447 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.964 -4.900 -5.652 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -6.220 -5.576 -5.744 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -5.972 -4.777 -4.204 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.202 -2.866 -4.832 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -6.929 -3.120 -6.544 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -8.754 -4.484 -6.761 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -8.399 -5.355 -5.282 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -9.272 -3.345 -3.976 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -9.767 -2.633 -5.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.579 -3.829 -4.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.152 -4.575 -5.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -10.672 -5.265 -4.450 1.00 0.00 H new ATOM 1481 N ARG A 98 -5.119 -2.483 -7.523 1.00 0.00 N ATOM 1482 CA ARG A 98 -5.171 -1.989 -8.888 1.00 0.00 C ATOM 1483 C ARG A 98 -3.760 -1.899 -9.474 1.00 0.00 C ATOM 1484 O ARG A 98 -3.588 -1.925 -10.692 1.00 0.00 O ATOM 1485 CB ARG A 98 -5.828 -0.608 -8.949 1.00 0.00 C ATOM 1486 CG ARG A 98 -6.087 -0.187 -10.397 1.00 0.00 C ATOM 1487 CD ARG A 98 -7.516 -0.530 -10.822 1.00 0.00 C ATOM 1488 NE ARG A 98 -7.794 0.029 -12.163 1.00 0.00 N ATOM 1489 CZ ARG A 98 -9.018 0.110 -12.704 1.00 0.00 C ATOM 1490 NH1 ARG A 98 -10.083 -0.332 -12.022 1.00 0.00 N ATOM 1491 NH2 ARG A 98 -9.175 0.634 -13.928 1.00 0.00 N ATOM 0 H ARG A 98 -5.456 -1.827 -6.818 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.768 -2.690 -9.472 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.768 -0.624 -8.398 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.186 0.126 -8.463 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.920 0.885 -10.503 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.378 -0.687 -11.057 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.650 -1.612 -10.835 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.225 -0.129 -10.098 1.00 0.00 H new ATOM 0 HE ARG A 98 -7.005 0.374 -12.710 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.963 -0.730 -11.091 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -11.014 -0.270 -12.434 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -8.364 0.970 -14.447 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -10.106 0.696 -14.341 1.00 0.00 H new ATOM 1505 N VAL A 99 -2.787 -1.796 -8.581 1.00 0.00 N ATOM 1506 CA VAL A 99 -1.398 -1.703 -8.994 1.00 0.00 C ATOM 1507 C VAL A 99 -0.813 -3.110 -9.123 1.00 0.00 C ATOM 1508 O VAL A 99 -0.319 -3.486 -10.185 1.00 0.00 O ATOM 1509 CB VAL A 99 -0.619 -0.819 -8.018 1.00 0.00 C ATOM 1510 CG1 VAL A 99 0.888 -0.950 -8.242 1.00 0.00 C ATOM 1511 CG2 VAL A 99 -1.066 0.640 -8.124 1.00 0.00 C ATOM 0 H VAL A 99 -2.934 -1.775 -7.572 1.00 0.00 H new ATOM 0 HA VAL A 99 -1.322 -1.229 -9.972 1.00 0.00 H new ATOM 0 HB VAL A 99 -0.837 -1.163 -7.007 1.00 0.00 H new ATOM 0 HG11 VAL A 99 1.418 -0.311 -7.535 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.190 -1.987 -8.091 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.132 -0.646 -9.260 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.497 1.247 -7.420 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.892 1.001 -9.138 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.128 0.713 -7.890 1.00 0.00 H new ATOM 1521 N VAL A 100 -0.888 -3.850 -8.027 1.00 0.00 N ATOM 1522 CA VAL A 100 -0.373 -5.209 -8.004 1.00 0.00 C ATOM 1523 C VAL A 100 -1.054 -6.027 -9.102 1.00 0.00 C ATOM 1524 O VAL A 100 -0.481 -6.990 -9.610 1.00 0.00 O ATOM 1525 CB VAL A 100 -0.552 -5.813 -6.610 1.00 0.00 C ATOM 1526 CG1 VAL A 100 -0.400 -7.335 -6.647 1.00 0.00 C ATOM 1527 CG2 VAL A 100 0.426 -5.190 -5.612 1.00 0.00 C ATOM 0 H VAL A 100 -1.298 -3.534 -7.148 1.00 0.00 H new ATOM 0 HA VAL A 100 0.697 -5.215 -8.211 1.00 0.00 H new ATOM 0 HB VAL A 100 -1.564 -5.585 -6.275 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.532 -7.738 -5.643 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.153 -7.760 -7.311 1.00 0.00 H new ATOM 0 HG13 VAL A 100 0.594 -7.593 -7.014 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.277 -5.637 -4.629 1.00 0.00 H new ATOM 0 HG22 VAL A 100 1.449 -5.372 -5.943 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.250 -4.116 -5.552 1.00 0.00 H new ATOM 1537 N ARG A 101 -2.269 -5.614 -9.436 1.00 0.00 N ATOM 1538 CA ARG A 101 -3.035 -6.298 -10.465 1.00 0.00 C ATOM 1539 C ARG A 101 -2.217 -6.402 -11.754 1.00 0.00 C ATOM 1540 O ARG A 101 -2.511 -7.230 -12.615 1.00 0.00 O ATOM 1541 CB ARG A 101 -4.343 -5.560 -10.758 1.00 0.00 C ATOM 1542 CG ARG A 101 -5.536 -6.300 -10.150 1.00 0.00 C ATOM 1543 CD ARG A 101 -6.846 -5.866 -10.812 1.00 0.00 C ATOM 1544 NE ARG A 101 -7.646 -7.055 -11.179 1.00 0.00 N ATOM 1545 CZ ARG A 101 -8.944 -7.014 -11.510 1.00 0.00 C ATOM 1546 NH1 ARG A 101 -9.596 -5.844 -11.524 1.00 0.00 N ATOM 1547 NH2 ARG A 101 -9.590 -8.144 -11.829 1.00 0.00 N ATOM 0 H ARG A 101 -2.741 -4.815 -9.013 1.00 0.00 H new ATOM 0 HA ARG A 101 -3.268 -7.297 -10.097 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -4.293 -4.549 -10.354 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -4.479 -5.466 -11.835 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -5.402 -7.375 -10.271 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -5.583 -6.103 -9.079 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -7.414 -5.231 -10.132 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -6.634 -5.271 -11.701 1.00 0.00 H new ATOM 0 HE ARG A 101 -7.181 -7.963 -11.180 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -9.105 -4.983 -11.283 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -10.584 -5.814 -11.776 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -9.094 -9.035 -11.820 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -10.578 -8.113 -12.081 1.00 0.00 H new ATOM 1561 N ASP A 102 -1.205 -5.552 -11.846 1.00 0.00 N ATOM 1562 CA ASP A 102 -0.343 -5.538 -13.015 1.00 0.00 C ATOM 1563 C ASP A 102 0.605 -6.737 -12.958 1.00 0.00 C ATOM 1564 O ASP A 102 0.582 -7.506 -11.998 1.00 0.00 O ATOM 1565 CB ASP A 102 0.505 -4.265 -13.060 1.00 0.00 C ATOM 1566 CG ASP A 102 0.274 -3.376 -14.282 1.00 0.00 C ATOM 1567 OD1 ASP A 102 -0.608 -3.740 -15.091 1.00 0.00 O ATOM 1568 OD2 ASP A 102 0.983 -2.351 -14.381 1.00 0.00 O ATOM 0 H ASP A 102 -0.963 -4.868 -11.129 1.00 0.00 H new ATOM 0 HA ASP A 102 -0.976 -5.580 -13.901 1.00 0.00 H new ATOM 0 HB2 ASP A 102 0.304 -3.681 -12.162 1.00 0.00 H new ATOM 0 HB3 ASP A 102 1.558 -4.547 -13.028 1.00 0.00 H new ATOM 1573 N PRO A 103 1.439 -6.862 -14.025 1.00 0.00 N ATOM 1574 CA PRO A 103 2.394 -7.955 -14.105 1.00 0.00 C ATOM 1575 C PRO A 103 3.578 -7.718 -13.164 1.00 0.00 C ATOM 1576 O PRO A 103 4.508 -8.522 -13.116 1.00 0.00 O ATOM 1577 CB PRO A 103 2.802 -8.014 -15.568 1.00 0.00 C ATOM 1578 CG PRO A 103 2.421 -6.668 -16.162 1.00 0.00 C ATOM 1579 CD PRO A 103 1.495 -5.970 -15.180 1.00 0.00 C ATOM 0 HA PRO A 103 1.972 -8.907 -13.784 1.00 0.00 H new ATOM 0 HB2 PRO A 103 3.872 -8.196 -15.668 1.00 0.00 H new ATOM 0 HB3 PRO A 103 2.291 -8.827 -16.083 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.311 -6.065 -16.342 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.926 -6.802 -17.124 1.00 0.00 H new ATOM 0 HD2 PRO A 103 1.879 -4.988 -14.904 1.00 0.00 H new ATOM 0 HD3 PRO A 103 0.505 -5.816 -15.610 1.00 0.00 H new ATOM 1587 N GLN A 104 3.504 -6.612 -12.438 1.00 0.00 N ATOM 1588 CA GLN A 104 4.557 -6.261 -11.502 1.00 0.00 C ATOM 1589 C GLN A 104 4.553 -7.223 -10.312 1.00 0.00 C ATOM 1590 O GLN A 104 5.530 -7.933 -10.078 1.00 0.00 O ATOM 1591 CB GLN A 104 4.414 -4.811 -11.034 1.00 0.00 C ATOM 1592 CG GLN A 104 4.332 -3.856 -12.227 1.00 0.00 C ATOM 1593 CD GLN A 104 5.672 -3.155 -12.462 1.00 0.00 C ATOM 1594 OE1 GLN A 104 6.711 -3.779 -12.604 1.00 0.00 O ATOM 1595 NE2 GLN A 104 5.590 -1.829 -12.494 1.00 0.00 N ATOM 0 H GLN A 104 2.731 -5.948 -12.480 1.00 0.00 H new ATOM 0 HA GLN A 104 5.515 -6.351 -12.014 1.00 0.00 H new ATOM 0 HB2 GLN A 104 3.519 -4.710 -10.420 1.00 0.00 H new ATOM 0 HB3 GLN A 104 5.263 -4.542 -10.406 1.00 0.00 H new ATOM 0 HG2 GLN A 104 4.045 -4.409 -13.121 1.00 0.00 H new ATOM 0 HG3 GLN A 104 3.555 -3.113 -12.049 1.00 0.00 H new ATOM 0 HE21 GLN A 104 4.688 -1.371 -12.368 1.00 0.00 H new ATOM 0 HE22 GLN A 104 6.429 -1.270 -12.645 1.00 0.00 H new ATOM 1604 N GLY A 105 3.441 -7.216 -9.590 1.00 0.00 N ATOM 1605 CA GLY A 105 3.296 -8.079 -8.430 1.00 0.00 C ATOM 1606 C GLY A 105 3.935 -7.446 -7.193 1.00 0.00 C ATOM 1607 O GLY A 105 4.795 -6.574 -7.310 1.00 0.00 O ATOM 0 H GLY A 105 2.632 -6.626 -9.786 1.00 0.00 H new ATOM 0 HA2 GLY A 105 2.239 -8.267 -8.242 1.00 0.00 H new ATOM 0 HA3 GLY A 105 3.761 -9.044 -8.630 1.00 0.00 H new ATOM 1611 N ILE A 106 3.489 -7.909 -6.033 1.00 0.00 N ATOM 1612 CA ILE A 106 4.006 -7.399 -4.776 1.00 0.00 C ATOM 1613 C ILE A 106 5.523 -7.222 -4.886 1.00 0.00 C ATOM 1614 O ILE A 106 6.105 -6.384 -4.201 1.00 0.00 O ATOM 1615 CB ILE A 106 3.575 -8.298 -3.615 1.00 0.00 C ATOM 1616 CG1 ILE A 106 2.119 -8.036 -3.229 1.00 0.00 C ATOM 1617 CG2 ILE A 106 4.520 -8.146 -2.422 1.00 0.00 C ATOM 1618 CD1 ILE A 106 1.978 -6.702 -2.492 1.00 0.00 C ATOM 0 H ILE A 106 2.775 -8.632 -5.939 1.00 0.00 H new ATOM 0 HA ILE A 106 3.585 -6.417 -4.562 1.00 0.00 H new ATOM 0 HB ILE A 106 3.639 -9.335 -3.946 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.498 -8.028 -4.124 1.00 0.00 H new ATOM 0 HG13 ILE A 106 1.756 -8.845 -2.596 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.190 -8.796 -1.611 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.531 -8.423 -2.721 1.00 0.00 H new ATOM 0 HG23 ILE A 106 4.513 -7.110 -2.082 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.933 -6.540 -2.229 1.00 0.00 H new ATOM 0 HD12 ILE A 106 2.582 -6.722 -1.585 1.00 0.00 H new ATOM 0 HD13 ILE A 106 2.319 -5.892 -3.137 1.00 0.00 H new ATOM 1630 N ARG A 107 6.118 -8.027 -5.755 1.00 0.00 N ATOM 1631 CA ARG A 107 7.554 -7.969 -5.964 1.00 0.00 C ATOM 1632 C ARG A 107 8.052 -6.528 -5.844 1.00 0.00 C ATOM 1633 O ARG A 107 9.159 -6.287 -5.364 1.00 0.00 O ATOM 1634 CB ARG A 107 7.933 -8.519 -7.341 1.00 0.00 C ATOM 1635 CG ARG A 107 9.379 -9.018 -7.353 1.00 0.00 C ATOM 1636 CD ARG A 107 9.995 -8.881 -8.748 1.00 0.00 C ATOM 1637 NE ARG A 107 11.471 -8.868 -8.650 1.00 0.00 N ATOM 1638 CZ ARG A 107 12.290 -8.616 -9.681 1.00 0.00 C ATOM 1639 NH1 ARG A 107 11.781 -8.355 -10.893 1.00 0.00 N ATOM 1640 NH2 ARG A 107 13.618 -8.626 -9.499 1.00 0.00 N ATOM 0 H ARG A 107 5.632 -8.722 -6.322 1.00 0.00 H new ATOM 0 HA ARG A 107 8.025 -8.584 -5.197 1.00 0.00 H new ATOM 0 HB2 ARG A 107 7.261 -9.334 -7.608 1.00 0.00 H new ATOM 0 HB3 ARG A 107 7.807 -7.742 -8.094 1.00 0.00 H new ATOM 0 HG2 ARG A 107 9.969 -8.451 -6.634 1.00 0.00 H new ATOM 0 HG3 ARG A 107 9.410 -10.061 -7.039 1.00 0.00 H new ATOM 0 HD2 ARG A 107 9.672 -9.708 -9.380 1.00 0.00 H new ATOM 0 HD3 ARG A 107 9.646 -7.963 -9.220 1.00 0.00 H new ATOM 0 HE ARG A 107 11.892 -9.063 -7.741 1.00 0.00 H new ATOM 0 HH11 ARG A 107 10.770 -8.348 -11.031 1.00 0.00 H new ATOM 0 HH12 ARG A 107 12.404 -8.163 -11.677 1.00 0.00 H new ATOM 0 HH21 ARG A 107 14.005 -8.825 -8.576 1.00 0.00 H new ATOM 0 HH22 ARG A 107 14.242 -8.434 -10.283 1.00 0.00 H new ATOM 1654 N ALA A 108 7.209 -5.606 -6.287 1.00 0.00 N ATOM 1655 CA ALA A 108 7.549 -4.194 -6.236 1.00 0.00 C ATOM 1656 C ALA A 108 8.159 -3.871 -4.870 1.00 0.00 C ATOM 1657 O ALA A 108 9.065 -3.044 -4.770 1.00 0.00 O ATOM 1658 CB ALA A 108 6.303 -3.358 -6.530 1.00 0.00 C ATOM 0 H ALA A 108 6.291 -5.810 -6.683 1.00 0.00 H new ATOM 0 HA ALA A 108 8.292 -3.950 -6.996 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.558 -2.299 -6.492 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.925 -3.605 -7.522 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.536 -3.574 -5.786 1.00 0.00 H new ATOM 1664 N TRP A 109 7.638 -4.539 -3.852 1.00 0.00 N ATOM 1665 CA TRP A 109 8.120 -4.333 -2.496 1.00 0.00 C ATOM 1666 C TRP A 109 8.986 -5.534 -2.115 1.00 0.00 C ATOM 1667 O TRP A 109 8.793 -6.133 -1.058 1.00 0.00 O ATOM 1668 CB TRP A 109 6.956 -4.104 -1.529 1.00 0.00 C ATOM 1669 CG TRP A 109 6.030 -2.955 -1.931 1.00 0.00 C ATOM 1670 CD1 TRP A 109 6.161 -1.651 -1.650 1.00 0.00 C ATOM 1671 CD2 TRP A 109 4.815 -3.060 -2.705 1.00 0.00 C ATOM 1672 NE1 TRP A 109 5.126 -0.912 -2.183 1.00 0.00 N ATOM 1673 CE2 TRP A 109 4.281 -1.795 -2.845 1.00 0.00 C ATOM 1674 CE3 TRP A 109 4.190 -4.186 -3.268 1.00 0.00 C ATOM 1675 CZ2 TRP A 109 3.096 -1.537 -3.544 1.00 0.00 C ATOM 1676 CZ3 TRP A 109 3.007 -3.911 -3.963 1.00 0.00 C ATOM 1677 CH2 TRP A 109 2.455 -2.643 -4.114 1.00 0.00 C ATOM 0 H TRP A 109 6.887 -5.224 -3.938 1.00 0.00 H new ATOM 0 HA TRP A 109 8.730 -3.431 -2.436 1.00 0.00 H new ATOM 0 HB2 TRP A 109 6.371 -5.021 -1.458 1.00 0.00 H new ATOM 0 HB3 TRP A 109 7.357 -3.903 -0.535 1.00 0.00 H new ATOM 0 HD1 TRP A 109 6.975 -1.232 -1.078 1.00 0.00 H new ATOM 0 HE1 TRP A 109 5.003 0.098 -2.106 1.00 0.00 H new ATOM 0 HE3 TRP A 109 4.591 -5.184 -3.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 2.698 -0.538 -3.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 2.485 -4.742 -4.414 1.00 0.00 H new ATOM 0 HH2 TRP A 109 1.537 -2.513 -4.668 1.00 0.00 H new ATOM 1688 N VAL A 110 9.923 -5.851 -2.996 1.00 0.00 N ATOM 1689 CA VAL A 110 10.820 -6.971 -2.765 1.00 0.00 C ATOM 1690 C VAL A 110 11.279 -6.958 -1.305 1.00 0.00 C ATOM 1691 O VAL A 110 11.655 -7.995 -0.760 1.00 0.00 O ATOM 1692 CB VAL A 110 11.984 -6.923 -3.758 1.00 0.00 C ATOM 1693 CG1 VAL A 110 12.866 -5.698 -3.509 1.00 0.00 C ATOM 1694 CG2 VAL A 110 12.806 -8.211 -3.702 1.00 0.00 C ATOM 0 H VAL A 110 10.081 -5.352 -3.871 1.00 0.00 H new ATOM 0 HA VAL A 110 10.304 -7.916 -2.936 1.00 0.00 H new ATOM 0 HB VAL A 110 11.566 -6.837 -4.761 1.00 0.00 H new ATOM 0 HG11 VAL A 110 13.685 -5.688 -4.228 1.00 0.00 H new ATOM 0 HG12 VAL A 110 12.271 -4.792 -3.624 1.00 0.00 H new ATOM 0 HG13 VAL A 110 13.271 -5.741 -2.498 1.00 0.00 H new ATOM 0 HG21 VAL A 110 13.626 -8.150 -4.417 1.00 0.00 H new ATOM 0 HG22 VAL A 110 13.209 -8.342 -2.698 1.00 0.00 H new ATOM 0 HG23 VAL A 110 12.169 -9.060 -3.951 1.00 0.00 H new ATOM 1704 N ALA A 111 11.233 -5.774 -0.714 1.00 0.00 N ATOM 1705 CA ALA A 111 11.639 -5.612 0.671 1.00 0.00 C ATOM 1706 C ALA A 111 11.048 -6.749 1.507 1.00 0.00 C ATOM 1707 O ALA A 111 11.758 -7.393 2.277 1.00 0.00 O ATOM 1708 CB ALA A 111 11.206 -4.233 1.174 1.00 0.00 C ATOM 0 H ALA A 111 10.920 -4.917 -1.170 1.00 0.00 H new ATOM 0 HA ALA A 111 12.724 -5.665 0.761 1.00 0.00 H new ATOM 0 HB1 ALA A 111 11.511 -4.113 2.213 1.00 0.00 H new ATOM 0 HB2 ALA A 111 11.676 -3.460 0.566 1.00 0.00 H new ATOM 0 HB3 ALA A 111 10.122 -4.143 1.101 1.00 0.00 H new ATOM 1714 N TRP A 112 9.752 -6.962 1.327 1.00 0.00 N ATOM 1715 CA TRP A 112 9.058 -8.010 2.054 1.00 0.00 C ATOM 1716 C TRP A 112 9.726 -9.344 1.717 1.00 0.00 C ATOM 1717 O TRP A 112 9.828 -10.225 2.569 1.00 0.00 O ATOM 1718 CB TRP A 112 7.561 -7.996 1.739 1.00 0.00 C ATOM 1719 CG TRP A 112 7.001 -9.354 1.310 1.00 0.00 C ATOM 1720 CD1 TRP A 112 6.975 -9.884 0.080 1.00 0.00 C ATOM 1721 CD2 TRP A 112 6.386 -10.340 2.166 1.00 0.00 C ATOM 1722 NE1 TRP A 112 6.390 -11.134 0.079 1.00 0.00 N ATOM 1723 CE2 TRP A 112 6.020 -11.419 1.388 1.00 0.00 C ATOM 1724 CE3 TRP A 112 6.145 -10.320 3.551 1.00 0.00 C ATOM 1725 CZ2 TRP A 112 5.394 -12.560 1.905 1.00 0.00 C ATOM 1726 CZ3 TRP A 112 5.518 -11.466 4.052 1.00 0.00 C ATOM 1727 CH2 TRP A 112 5.143 -12.562 3.282 1.00 0.00 C ATOM 0 H TRP A 112 9.165 -6.426 0.688 1.00 0.00 H new ATOM 0 HA TRP A 112 9.132 -7.846 3.129 1.00 0.00 H new ATOM 0 HB2 TRP A 112 7.018 -7.653 2.620 1.00 0.00 H new ATOM 0 HB3 TRP A 112 7.374 -7.271 0.947 1.00 0.00 H new ATOM 0 HD1 TRP A 112 7.363 -9.394 -0.801 1.00 0.00 H new ATOM 0 HE1 TRP A 112 6.254 -11.737 -0.732 1.00 0.00 H new ATOM 0 HE3 TRP A 112 6.422 -9.486 4.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 5.120 -13.393 1.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 5.311 -11.502 5.111 1.00 0.00 H new ATOM 0 HH2 TRP A 112 4.661 -13.410 3.744 1.00 0.00 H new ATOM 1738 N ARG A 113 10.167 -9.450 0.471 1.00 0.00 N ATOM 1739 CA ARG A 113 10.822 -10.662 0.010 1.00 0.00 C ATOM 1740 C ARG A 113 12.254 -10.727 0.548 1.00 0.00 C ATOM 1741 O ARG A 113 12.924 -11.750 0.417 1.00 0.00 O ATOM 1742 CB ARG A 113 10.857 -10.722 -1.519 1.00 0.00 C ATOM 1743 CG ARG A 113 10.930 -12.170 -2.008 1.00 0.00 C ATOM 1744 CD ARG A 113 11.918 -12.307 -3.167 1.00 0.00 C ATOM 1745 NE ARG A 113 12.644 -13.593 -3.065 1.00 0.00 N ATOM 1746 CZ ARG A 113 13.537 -14.025 -3.966 1.00 0.00 C ATOM 1747 NH1 ARG A 113 13.821 -13.277 -5.041 1.00 0.00 N ATOM 1748 NH2 ARG A 113 14.147 -15.205 -3.791 1.00 0.00 N ATOM 0 H ARG A 113 10.083 -8.716 -0.233 1.00 0.00 H new ATOM 0 HA ARG A 113 10.250 -11.511 0.383 1.00 0.00 H new ATOM 0 HB2 ARG A 113 9.968 -10.241 -1.926 1.00 0.00 H new ATOM 0 HB3 ARG A 113 11.718 -10.165 -1.889 1.00 0.00 H new ATOM 0 HG2 ARG A 113 11.234 -12.820 -1.187 1.00 0.00 H new ATOM 0 HG3 ARG A 113 9.941 -12.500 -2.327 1.00 0.00 H new ATOM 0 HD2 ARG A 113 11.386 -12.255 -4.117 1.00 0.00 H new ATOM 0 HD3 ARG A 113 12.626 -11.478 -3.152 1.00 0.00 H new ATOM 0 HE ARG A 113 12.453 -14.187 -2.259 1.00 0.00 H new ATOM 0 HH11 ARG A 113 13.357 -12.378 -5.174 1.00 0.00 H new ATOM 0 HH12 ARG A 113 14.501 -13.606 -5.726 1.00 0.00 H new ATOM 0 HH21 ARG A 113 13.932 -15.774 -2.972 1.00 0.00 H new ATOM 0 HH22 ARG A 113 14.827 -15.534 -4.476 1.00 0.00 H new ATOM 1762 N ALA A 114 12.680 -9.622 1.142 1.00 0.00 N ATOM 1763 CA ALA A 114 14.019 -9.542 1.700 1.00 0.00 C ATOM 1764 C ALA A 114 13.934 -9.063 3.151 1.00 0.00 C ATOM 1765 O ALA A 114 14.856 -8.420 3.652 1.00 0.00 O ATOM 1766 CB ALA A 114 14.880 -8.621 0.832 1.00 0.00 C ATOM 0 H ALA A 114 12.122 -8.775 1.249 1.00 0.00 H new ATOM 0 HA ALA A 114 14.493 -10.524 1.703 1.00 0.00 H new ATOM 0 HB1 ALA A 114 15.885 -8.561 1.251 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.932 -9.020 -0.181 1.00 0.00 H new ATOM 0 HB3 ALA A 114 14.437 -7.625 0.807 1.00 0.00 H new ATOM 1772 N HIS A 115 12.819 -9.394 3.786 1.00 0.00 N ATOM 1773 CA HIS A 115 12.602 -9.006 5.169 1.00 0.00 C ATOM 1774 C HIS A 115 11.668 -10.012 5.844 1.00 0.00 C ATOM 1775 O HIS A 115 11.941 -10.472 6.952 1.00 0.00 O ATOM 1776 CB HIS A 115 12.087 -7.568 5.256 1.00 0.00 C ATOM 1777 CG HIS A 115 12.721 -6.754 6.357 1.00 0.00 C ATOM 1778 ND1 HIS A 115 12.008 -6.279 7.444 1.00 0.00 N ATOM 1779 CD2 HIS A 115 14.008 -6.335 6.529 1.00 0.00 C ATOM 1780 CE1 HIS A 115 12.839 -5.606 8.228 1.00 0.00 C ATOM 1781 NE2 HIS A 115 14.078 -5.642 7.659 1.00 0.00 N ATOM 0 H HIS A 115 12.056 -9.927 3.368 1.00 0.00 H new ATOM 0 HA HIS A 115 13.549 -9.024 5.708 1.00 0.00 H new ATOM 0 HB2 HIS A 115 12.265 -7.071 4.302 1.00 0.00 H new ATOM 0 HB3 HIS A 115 11.008 -7.588 5.408 1.00 0.00 H new ATOM 0 HD2 HIS A 115 14.831 -6.534 5.859 1.00 0.00 H new ATOM 0 HE1 HIS A 115 12.580 -5.115 9.155 1.00 0.00 H new ATOM 0 HE2 HIS A 115 14.919 -5.208 8.039 1.00 0.00 H new ATOM 1790 N CYS A 116 10.586 -10.325 5.147 1.00 0.00 N ATOM 1791 CA CYS A 116 9.609 -11.268 5.665 1.00 0.00 C ATOM 1792 C CYS A 116 10.017 -12.675 5.220 1.00 0.00 C ATOM 1793 O CYS A 116 10.087 -13.592 6.037 1.00 0.00 O ATOM 1794 CB CYS A 116 8.189 -10.918 5.215 1.00 0.00 C ATOM 1795 SG CYS A 116 7.094 -10.298 6.545 1.00 0.00 S ATOM 0 H CYS A 116 10.364 -9.942 4.228 1.00 0.00 H new ATOM 0 HA CYS A 116 9.597 -11.220 6.754 1.00 0.00 H new ATOM 0 HB2 CYS A 116 8.247 -10.164 4.430 1.00 0.00 H new ATOM 0 HB3 CYS A 116 7.734 -11.804 4.773 1.00 0.00 H new ATOM 1800 N GLN A 117 10.275 -12.800 3.927 1.00 0.00 N ATOM 1801 CA GLN A 117 10.673 -14.079 3.364 1.00 0.00 C ATOM 1802 C GLN A 117 12.011 -14.526 3.957 1.00 0.00 C ATOM 1803 O GLN A 117 12.984 -14.717 3.229 1.00 0.00 O ATOM 1804 CB GLN A 117 10.747 -14.007 1.838 1.00 0.00 C ATOM 1805 CG GLN A 117 9.554 -14.719 1.196 1.00 0.00 C ATOM 1806 CD GLN A 117 10.018 -15.860 0.290 1.00 0.00 C ATOM 1807 OE1 GLN A 117 10.887 -16.646 0.633 1.00 0.00 O ATOM 1808 NE2 GLN A 117 9.393 -15.909 -0.882 1.00 0.00 N ATOM 0 H GLN A 117 10.216 -12.037 3.253 1.00 0.00 H new ATOM 0 HA GLN A 117 9.917 -14.820 3.624 1.00 0.00 H new ATOM 0 HB2 GLN A 117 10.767 -12.965 1.520 1.00 0.00 H new ATOM 0 HB3 GLN A 117 11.675 -14.463 1.494 1.00 0.00 H new ATOM 0 HG2 GLN A 117 8.899 -15.111 1.974 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.969 -14.005 0.616 1.00 0.00 H new ATOM 0 HE21 GLN A 117 8.675 -15.220 -1.106 1.00 0.00 H new ATOM 0 HE22 GLN A 117 9.631 -16.635 -1.557 1.00 0.00 H new ATOM 1817 N ASN A 118 12.016 -14.679 5.273 1.00 0.00 N ATOM 1818 CA ASN A 118 13.219 -15.100 5.972 1.00 0.00 C ATOM 1819 C ASN A 118 12.831 -15.737 7.308 1.00 0.00 C ATOM 1820 O ASN A 118 13.354 -16.788 7.674 1.00 0.00 O ATOM 1821 CB ASN A 118 14.132 -13.907 6.265 1.00 0.00 C ATOM 1822 CG ASN A 118 15.600 -14.336 6.302 1.00 0.00 C ATOM 1823 OD1 ASN A 118 16.217 -14.619 5.288 1.00 0.00 O ATOM 1824 ND2 ASN A 118 16.123 -14.369 7.525 1.00 0.00 N ATOM 0 H ASN A 118 11.207 -14.519 5.873 1.00 0.00 H new ATOM 0 HA ASN A 118 13.747 -15.811 5.336 1.00 0.00 H new ATOM 0 HB2 ASN A 118 13.992 -13.142 5.502 1.00 0.00 H new ATOM 0 HB3 ASN A 118 13.856 -13.459 7.220 1.00 0.00 H new ATOM 0 HD21 ASN A 118 17.097 -14.644 7.656 1.00 0.00 H new ATOM 0 HD22 ASN A 118 15.550 -14.120 8.331 1.00 0.00 H new ATOM 1831 N ARG A 119 11.916 -15.074 8.000 1.00 0.00 N ATOM 1832 CA ARG A 119 11.451 -15.562 9.287 1.00 0.00 C ATOM 1833 C ARG A 119 9.929 -15.715 9.279 1.00 0.00 C ATOM 1834 O ARG A 119 9.296 -15.610 8.228 1.00 0.00 O ATOM 1835 CB ARG A 119 11.855 -14.612 10.415 1.00 0.00 C ATOM 1836 CG ARG A 119 12.141 -15.383 11.705 1.00 0.00 C ATOM 1837 CD ARG A 119 13.612 -15.256 12.105 1.00 0.00 C ATOM 1838 NE ARG A 119 14.435 -16.196 11.311 1.00 0.00 N ATOM 1839 CZ ARG A 119 15.702 -16.518 11.604 1.00 0.00 C ATOM 1840 NH1 ARG A 119 16.299 -15.980 12.677 1.00 0.00 N ATOM 1841 NH2 ARG A 119 16.372 -17.380 10.827 1.00 0.00 N ATOM 0 H ARG A 119 11.484 -14.202 7.693 1.00 0.00 H new ATOM 0 HA ARG A 119 11.916 -16.532 9.461 1.00 0.00 H new ATOM 0 HB2 ARG A 119 12.740 -14.048 10.121 1.00 0.00 H new ATOM 0 HB3 ARG A 119 11.059 -13.888 10.589 1.00 0.00 H new ATOM 0 HG2 ARG A 119 11.508 -15.004 12.507 1.00 0.00 H new ATOM 0 HG3 ARG A 119 11.887 -16.434 11.569 1.00 0.00 H new ATOM 0 HD2 ARG A 119 13.954 -14.234 11.943 1.00 0.00 H new ATOM 0 HD3 ARG A 119 13.728 -15.467 13.168 1.00 0.00 H new ATOM 0 HE ARG A 119 14.011 -16.626 10.489 1.00 0.00 H new ATOM 0 HH11 ARG A 119 15.789 -15.326 13.270 1.00 0.00 H new ATOM 0 HH12 ARG A 119 17.264 -16.225 12.900 1.00 0.00 H new ATOM 0 HH21 ARG A 119 15.917 -17.791 10.012 1.00 0.00 H new ATOM 0 HH22 ARG A 119 17.337 -17.625 11.051 1.00 0.00 H new ATOM 1855 N ASP A 120 9.383 -15.959 10.460 1.00 0.00 N ATOM 1856 CA ASP A 120 7.947 -16.127 10.603 1.00 0.00 C ATOM 1857 C ASP A 120 7.323 -14.797 11.030 1.00 0.00 C ATOM 1858 O ASP A 120 7.354 -14.443 12.208 1.00 0.00 O ATOM 1859 CB ASP A 120 7.618 -17.170 11.673 1.00 0.00 C ATOM 1860 CG ASP A 120 6.178 -17.688 11.649 1.00 0.00 C ATOM 1861 OD1 ASP A 120 5.566 -17.612 10.561 1.00 0.00 O ATOM 1862 OD2 ASP A 120 5.723 -18.149 12.718 1.00 0.00 O ATOM 0 H ASP A 120 9.910 -16.045 11.329 1.00 0.00 H new ATOM 0 HA ASP A 120 7.549 -16.458 9.644 1.00 0.00 H new ATOM 0 HB2 ASP A 120 8.295 -18.016 11.555 1.00 0.00 H new ATOM 0 HB3 ASP A 120 7.817 -16.738 12.654 1.00 0.00 H new ATOM 1867 N LEU A 121 6.769 -14.098 10.050 1.00 0.00 N ATOM 1868 CA LEU A 121 6.139 -12.815 10.311 1.00 0.00 C ATOM 1869 C LEU A 121 4.622 -13.002 10.378 1.00 0.00 C ATOM 1870 O LEU A 121 3.868 -12.036 10.265 1.00 0.00 O ATOM 1871 CB LEU A 121 6.586 -11.779 9.276 1.00 0.00 C ATOM 1872 CG LEU A 121 6.457 -10.313 9.696 1.00 0.00 C ATOM 1873 CD1 LEU A 121 7.735 -9.537 9.376 1.00 0.00 C ATOM 1874 CD2 LEU A 121 5.221 -9.669 9.065 1.00 0.00 C ATOM 0 H LEU A 121 6.743 -14.396 9.075 1.00 0.00 H new ATOM 0 HA LEU A 121 6.456 -12.424 11.278 1.00 0.00 H new ATOM 0 HB2 LEU A 121 7.628 -11.974 9.023 1.00 0.00 H new ATOM 0 HB3 LEU A 121 6.004 -11.928 8.367 1.00 0.00 H new ATOM 0 HG LEU A 121 6.322 -10.277 10.777 1.00 0.00 H new ATOM 0 HD11 LEU A 121 7.617 -8.498 9.684 1.00 0.00 H new ATOM 0 HD12 LEU A 121 8.574 -9.981 9.911 1.00 0.00 H new ATOM 0 HD13 LEU A 121 7.926 -9.578 8.304 1.00 0.00 H new ATOM 0 HD21 LEU A 121 5.153 -8.628 9.380 1.00 0.00 H new ATOM 0 HD22 LEU A 121 5.301 -9.716 7.979 1.00 0.00 H new ATOM 0 HD23 LEU A 121 4.328 -10.204 9.386 1.00 0.00 H new ATOM 1886 N SER A 122 4.220 -14.250 10.562 1.00 0.00 N ATOM 1887 CA SER A 122 2.806 -14.577 10.646 1.00 0.00 C ATOM 1888 C SER A 122 2.253 -14.161 12.012 1.00 0.00 C ATOM 1889 O SER A 122 1.051 -13.951 12.161 1.00 0.00 O ATOM 1890 CB SER A 122 2.570 -16.070 10.411 1.00 0.00 C ATOM 1891 OG SER A 122 1.880 -16.315 9.187 1.00 0.00 O ATOM 0 H SER A 122 4.848 -15.048 10.655 1.00 0.00 H new ATOM 0 HA SER A 122 2.281 -14.027 9.865 1.00 0.00 H new ATOM 0 HB2 SER A 122 3.527 -16.591 10.398 1.00 0.00 H new ATOM 0 HB3 SER A 122 1.995 -16.481 11.240 1.00 0.00 H new ATOM 0 HG SER A 122 1.750 -17.280 9.072 1.00 0.00 H new ATOM 1897 N GLN A 123 3.159 -14.056 12.973 1.00 0.00 N ATOM 1898 CA GLN A 123 2.778 -13.669 14.321 1.00 0.00 C ATOM 1899 C GLN A 123 2.415 -12.185 14.365 1.00 0.00 C ATOM 1900 O GLN A 123 1.830 -11.712 15.339 1.00 0.00 O ATOM 1901 CB GLN A 123 3.891 -13.992 15.320 1.00 0.00 C ATOM 1902 CG GLN A 123 3.403 -13.817 16.759 1.00 0.00 C ATOM 1903 CD GLN A 123 2.988 -15.159 17.365 1.00 0.00 C ATOM 1904 OE1 GLN A 123 3.472 -16.214 16.991 1.00 0.00 O ATOM 1905 NE2 GLN A 123 2.066 -15.060 18.319 1.00 0.00 N ATOM 0 H GLN A 123 4.156 -14.232 12.845 1.00 0.00 H new ATOM 0 HA GLN A 123 1.899 -14.246 14.608 1.00 0.00 H new ATOM 0 HB2 GLN A 123 4.233 -15.016 15.170 1.00 0.00 H new ATOM 0 HB3 GLN A 123 4.746 -13.341 15.140 1.00 0.00 H new ATOM 0 HG2 GLN A 123 4.193 -13.370 17.363 1.00 0.00 H new ATOM 0 HG3 GLN A 123 2.558 -13.128 16.779 1.00 0.00 H new ATOM 0 HE21 GLN A 123 1.703 -14.144 18.584 1.00 0.00 H new ATOM 0 HE22 GLN A 123 1.722 -15.900 18.785 1.00 0.00 H new ATOM 1914 N TYR A 124 2.777 -11.488 13.298 1.00 0.00 N ATOM 1915 CA TYR A 124 2.497 -10.065 13.202 1.00 0.00 C ATOM 1916 C TYR A 124 1.023 -9.817 12.869 1.00 0.00 C ATOM 1917 O TYR A 124 0.453 -8.808 13.278 1.00 0.00 O ATOM 1918 CB TYR A 124 3.360 -9.542 12.052 1.00 0.00 C ATOM 1919 CG TYR A 124 4.023 -8.192 12.337 1.00 0.00 C ATOM 1920 CD1 TYR A 124 4.879 -8.057 13.412 1.00 0.00 C ATOM 1921 CD2 TYR A 124 3.765 -7.111 11.520 1.00 0.00 C ATOM 1922 CE1 TYR A 124 5.503 -6.787 13.680 1.00 0.00 C ATOM 1923 CE2 TYR A 124 4.389 -5.840 11.789 1.00 0.00 C ATOM 1924 CZ TYR A 124 5.227 -5.741 12.855 1.00 0.00 C ATOM 1925 OH TYR A 124 5.816 -4.542 13.108 1.00 0.00 O ATOM 0 H TYR A 124 3.262 -11.882 12.492 1.00 0.00 H new ATOM 0 HA TYR A 124 2.713 -9.567 14.148 1.00 0.00 H new ATOM 0 HB2 TYR A 124 4.134 -10.276 11.829 1.00 0.00 H new ATOM 0 HB3 TYR A 124 2.741 -9.450 11.159 1.00 0.00 H new ATOM 0 HD1 TYR A 124 5.081 -8.904 14.052 1.00 0.00 H new ATOM 0 HD2 TYR A 124 3.096 -7.217 10.679 1.00 0.00 H new ATOM 0 HE1 TYR A 124 6.175 -6.668 14.517 1.00 0.00 H new ATOM 0 HE2 TYR A 124 4.195 -4.985 11.158 1.00 0.00 H new ATOM 0 HH TYR A 124 6.686 -4.688 13.534 1.00 0.00 H new ATOM 1935 N ILE A 125 0.451 -10.756 12.131 1.00 0.00 N ATOM 1936 CA ILE A 125 -0.945 -10.653 11.739 1.00 0.00 C ATOM 1937 C ILE A 125 -1.796 -11.520 12.668 1.00 0.00 C ATOM 1938 O ILE A 125 -2.934 -11.171 12.980 1.00 0.00 O ATOM 1939 CB ILE A 125 -1.111 -10.991 10.257 1.00 0.00 C ATOM 1940 CG1 ILE A 125 -0.631 -12.413 9.961 1.00 0.00 C ATOM 1941 CG2 ILE A 125 -0.411 -9.954 9.375 1.00 0.00 C ATOM 1942 CD1 ILE A 125 -1.605 -13.139 9.030 1.00 0.00 C ATOM 0 H ILE A 125 0.928 -11.592 11.794 1.00 0.00 H new ATOM 0 HA ILE A 125 -1.298 -9.628 11.849 1.00 0.00 H new ATOM 0 HB ILE A 125 -2.173 -10.953 10.016 1.00 0.00 H new ATOM 0 HG12 ILE A 125 0.358 -12.379 9.503 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -0.532 -12.968 10.894 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -0.545 -10.219 8.326 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -0.842 -8.970 9.559 1.00 0.00 H new ATOM 0 HG23 ILE A 125 0.653 -9.934 9.611 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -1.240 -14.147 8.836 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -2.587 -13.193 9.501 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -1.683 -12.594 8.089 1.00 0.00 H new ATOM 1954 N ARG A 126 -1.213 -12.635 13.083 1.00 0.00 N ATOM 1955 CA ARG A 126 -1.905 -13.556 13.970 1.00 0.00 C ATOM 1956 C ARG A 126 -1.787 -13.084 15.421 1.00 0.00 C ATOM 1957 O ARG A 126 -0.707 -13.129 16.006 1.00 0.00 O ATOM 1958 CB ARG A 126 -1.330 -14.970 13.852 1.00 0.00 C ATOM 1959 CG ARG A 126 -2.171 -15.970 14.649 1.00 0.00 C ATOM 1960 CD ARG A 126 -3.432 -16.363 13.877 1.00 0.00 C ATOM 1961 NE ARG A 126 -4.512 -16.723 14.822 1.00 0.00 N ATOM 1962 CZ ARG A 126 -4.674 -17.944 15.349 1.00 0.00 C ATOM 1963 NH1 ARG A 126 -3.826 -18.931 15.025 1.00 0.00 N ATOM 1964 NH2 ARG A 126 -5.682 -18.180 16.199 1.00 0.00 N ATOM 0 H ARG A 126 -0.270 -12.922 12.822 1.00 0.00 H new ATOM 0 HA ARG A 126 -2.954 -13.577 13.675 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -1.300 -15.268 12.804 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -0.303 -14.981 14.216 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -1.579 -16.860 14.863 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -2.449 -15.534 15.609 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -3.753 -15.536 13.243 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -3.218 -17.205 13.219 1.00 0.00 H new ATOM 0 HE ARG A 126 -5.175 -15.996 15.089 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -3.058 -18.752 14.378 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -3.949 -19.861 15.426 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -6.327 -17.430 16.446 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -5.804 -19.110 16.600 1.00 0.00 H new ATOM 1978 N ASN A 127 -2.915 -12.643 15.959 1.00 0.00 N ATOM 1979 CA ASN A 127 -2.952 -12.163 17.330 1.00 0.00 C ATOM 1980 C ASN A 127 -4.194 -11.292 17.527 1.00 0.00 C ATOM 1981 O ASN A 127 -4.710 -11.183 18.639 1.00 0.00 O ATOM 1982 CB ASN A 127 -1.722 -11.312 17.649 1.00 0.00 C ATOM 1983 CG ASN A 127 -0.826 -12.007 18.676 1.00 0.00 C ATOM 1984 OD1 ASN A 127 -0.337 -13.105 18.470 1.00 0.00 O ATOM 1985 ND2 ASN A 127 -0.640 -11.308 19.793 1.00 0.00 N ATOM 0 H ASN A 127 -3.810 -12.608 15.470 1.00 0.00 H new ATOM 0 HA ASN A 127 -2.971 -13.030 17.991 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -1.157 -11.126 16.735 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -2.036 -10.342 18.033 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -0.058 -11.687 20.541 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -1.079 -10.394 19.902 1.00 0.00 H new ATOM 1992 N CYS A 128 -4.640 -10.694 16.432 1.00 0.00 N ATOM 1993 CA CYS A 128 -5.811 -9.837 16.470 1.00 0.00 C ATOM 1994 C CYS A 128 -7.051 -10.723 16.603 1.00 0.00 C ATOM 1995 O CYS A 128 -8.089 -10.275 17.090 1.00 0.00 O ATOM 1996 CB CYS A 128 -5.887 -8.928 15.241 1.00 0.00 C ATOM 1997 SG CYS A 128 -6.320 -7.187 15.601 1.00 0.00 S ATOM 0 H CYS A 128 -4.210 -10.787 15.512 1.00 0.00 H new ATOM 0 HA CYS A 128 -5.749 -9.170 17.330 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -4.925 -8.950 14.730 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -6.625 -9.336 14.550 1.00 0.00 H new ATOM 2002 N GLY A 129 -6.903 -11.963 16.163 1.00 0.00 N ATOM 2003 CA GLY A 129 -7.998 -12.916 16.226 1.00 0.00 C ATOM 2004 C GLY A 129 -8.555 -13.205 14.831 1.00 0.00 C ATOM 2005 O GLY A 129 -9.750 -13.448 14.674 1.00 0.00 O ATOM 0 H GLY A 129 -6.041 -12.331 15.761 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -7.652 -13.843 16.682 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -8.790 -12.523 16.863 1.00 0.00 H new ATOM 2009 N VAL A 130 -7.662 -13.170 13.853 1.00 0.00 N ATOM 2010 CA VAL A 130 -8.050 -13.425 12.476 1.00 0.00 C ATOM 2011 C VAL A 130 -7.930 -14.922 12.186 1.00 0.00 C ATOM 2012 O VAL A 130 -8.934 -15.599 11.972 1.00 0.00 O ATOM 2013 CB VAL A 130 -7.212 -12.564 11.529 1.00 0.00 C ATOM 2014 CG1 VAL A 130 -7.249 -13.121 10.104 1.00 0.00 C ATOM 2015 CG2 VAL A 130 -7.675 -11.105 11.559 1.00 0.00 C ATOM 0 H VAL A 130 -6.671 -12.969 13.987 1.00 0.00 H new ATOM 0 HA VAL A 130 -9.091 -13.145 12.314 1.00 0.00 H new ATOM 0 HB VAL A 130 -6.179 -12.595 11.875 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -6.645 -12.490 9.451 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -6.850 -14.135 10.099 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -8.278 -13.134 9.745 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -7.063 -10.515 10.877 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -8.719 -11.048 11.251 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -7.573 -10.712 12.570 1.00 0.00 H new TER 2025 VAL A 130