USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 719 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 70 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 73 HIS : no HD1:sc= -0.248 K(o=-0.25,f=-2!) USER MOD Set 2.1: A 12 ASN : amide:sc= -0.152 K(o=0.65,f=-6.6!) USER MOD Set 2.2: A 16 LYS NZ :NH3+ -178:sc= 0.799 (180deg=0) USER MOD Set 2.3: A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.4: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 17 GLN : amide:sc= 0.617 K(o=0.62,f=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.0994 X(o=-0.099,f=-0.4) USER MOD Single : A 8 LYS NZ :NH3+ -141:sc= 1.22 (180deg=-0.165) USER MOD Single : A 10 GLN : amide:sc= -0.257 X(o=-0.26,f=-0.24) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 CYS SG : rot 74:sc= 0.555 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.178 USER MOD Single : A 29 GLN : amide:sc= 0.615 K(o=0.61,f=-0.066) USER MOD Single : A 32 THR OG1 : rot 70:sc= 1.34 USER MOD Single : A 34 GLN : amide:sc= 1.15 K(o=1.2,f=-0.033) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -75:sc= 1.17 USER MOD Single : A 43 ASN : amide:sc= 1.08 K(o=1.1,f=-2.6!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot -84:sc= 0.0443 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0.186 X(o=0.19,f=-0.26) USER MOD Single : A 59 GLN : amide:sc= -0.971 K(o=-0.97,f=-1.5) USER MOD Single : A 60 MET CE :methyl 177:sc= 0 (180deg=-0.00774) USER MOD Single : A 61 CYS SG : rot 75:sc= 0.432 USER MOD Single : A 62 GLN : amide:sc= 0.887 K(o=0.89,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.648 K(o=-0.65,f=0.57) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -84:sc= 1.08 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0.376 X(o=0.38,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0.648 K(o=0.65,f=0) USER MOD ----------------------------------------------------------------- ATOM 30 N GLN A 3 17.191 10.681 -9.897 1.00 0.00 N ATOM 31 CA GLN A 3 17.418 10.532 -8.455 1.00 0.00 C ATOM 32 C GLN A 3 16.093 10.510 -7.680 1.00 0.00 C ATOM 33 O GLN A 3 15.912 9.672 -6.795 1.00 0.00 O ATOM 34 CB GLN A 3 18.357 11.640 -7.954 1.00 0.00 C ATOM 35 CG GLN A 3 18.803 11.383 -6.504 1.00 0.00 C ATOM 36 CD GLN A 3 19.907 12.317 -6.005 1.00 0.00 C ATOM 37 OE1 GLN A 3 20.561 13.043 -6.746 1.00 0.00 O ATOM 38 NE2 GLN A 3 20.169 12.303 -4.718 1.00 0.00 N ATOM 0 HA GLN A 3 17.901 9.572 -8.275 1.00 0.00 H new ATOM 0 HB2 GLN A 3 19.232 11.698 -8.601 1.00 0.00 H new ATOM 0 HB3 GLN A 3 17.851 12.604 -8.016 1.00 0.00 H new ATOM 0 HG2 GLN A 3 17.938 11.481 -5.848 1.00 0.00 H new ATOM 0 HG3 GLN A 3 19.151 10.353 -6.421 1.00 0.00 H new ATOM 0 HE21 GLN A 3 19.630 11.702 -4.094 1.00 0.00 H new ATOM 0 HE22 GLN A 3 20.911 12.893 -4.342 1.00 0.00 H new ATOM 47 N PHE A 4 15.129 11.360 -8.043 1.00 0.00 N ATOM 48 CA PHE A 4 13.793 11.333 -7.445 1.00 0.00 C ATOM 49 C PHE A 4 12.970 10.112 -7.877 1.00 0.00 C ATOM 50 O PHE A 4 12.285 9.504 -7.052 1.00 0.00 O ATOM 51 CB PHE A 4 13.087 12.675 -7.670 1.00 0.00 C ATOM 52 CG PHE A 4 11.591 12.632 -7.937 1.00 0.00 C ATOM 53 CD1 PHE A 4 11.103 12.312 -9.221 1.00 0.00 C ATOM 54 CD2 PHE A 4 10.679 12.975 -6.921 1.00 0.00 C ATOM 55 CE1 PHE A 4 9.730 12.401 -9.499 1.00 0.00 C ATOM 56 CE2 PHE A 4 9.300 13.032 -7.193 1.00 0.00 C ATOM 57 CZ PHE A 4 8.830 12.779 -8.493 1.00 0.00 C ATOM 0 H PHE A 4 15.251 12.081 -8.754 1.00 0.00 H new ATOM 0 HA PHE A 4 13.901 11.207 -6.368 1.00 0.00 H new ATOM 0 HB2 PHE A 4 13.257 13.298 -6.792 1.00 0.00 H new ATOM 0 HB3 PHE A 4 13.567 13.173 -8.512 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.789 11.997 -9.994 1.00 0.00 H new ATOM 0 HD2 PHE A 4 11.040 13.196 -5.927 1.00 0.00 H new ATOM 0 HE1 PHE A 4 9.366 12.178 -10.491 1.00 0.00 H new ATOM 0 HE2 PHE A 4 8.603 13.270 -6.403 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.778 12.876 -8.716 1.00 0.00 H new ATOM 67 N GLU A 5 13.079 9.710 -9.143 1.00 0.00 N ATOM 68 CA GLU A 5 12.352 8.574 -9.713 1.00 0.00 C ATOM 69 C GLU A 5 12.807 7.221 -9.158 1.00 0.00 C ATOM 70 O GLU A 5 12.026 6.259 -9.101 1.00 0.00 O ATOM 71 CB GLU A 5 12.500 8.602 -11.244 1.00 0.00 C ATOM 72 CG GLU A 5 11.162 8.345 -11.917 1.00 0.00 C ATOM 73 CD GLU A 5 10.265 9.587 -11.909 1.00 0.00 C ATOM 74 OE1 GLU A 5 9.308 9.655 -11.102 1.00 0.00 O ATOM 75 OE2 GLU A 5 10.452 10.483 -12.767 1.00 0.00 O ATOM 0 H GLU A 5 13.688 10.175 -9.816 1.00 0.00 H new ATOM 0 HA GLU A 5 11.306 8.679 -9.427 1.00 0.00 H new ATOM 0 HB2 GLU A 5 12.891 9.569 -11.559 1.00 0.00 H new ATOM 0 HB3 GLU A 5 13.222 7.848 -11.559 1.00 0.00 H new ATOM 0 HG2 GLU A 5 11.329 8.026 -12.946 1.00 0.00 H new ATOM 0 HG3 GLU A 5 10.652 7.527 -11.408 1.00 0.00 H new ATOM 83 N LYS A 6 14.051 7.180 -8.676 1.00 0.00 N ATOM 84 CA LYS A 6 14.549 6.165 -7.763 1.00 0.00 C ATOM 85 C LYS A 6 13.993 6.362 -6.355 1.00 0.00 C ATOM 86 O LYS A 6 13.271 5.495 -5.863 1.00 0.00 O ATOM 87 CB LYS A 6 16.081 6.176 -7.785 1.00 0.00 C ATOM 88 CG LYS A 6 16.595 4.924 -7.076 1.00 0.00 C ATOM 89 CD LYS A 6 18.067 5.072 -6.697 1.00 0.00 C ATOM 90 CE LYS A 6 18.494 3.831 -5.918 1.00 0.00 C ATOM 91 NZ LYS A 6 19.947 3.839 -5.633 1.00 0.00 N ATOM 0 H LYS A 6 14.756 7.876 -8.921 1.00 0.00 H new ATOM 0 HA LYS A 6 14.205 5.184 -8.092 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.443 6.203 -8.813 1.00 0.00 H new ATOM 0 HB3 LYS A 6 16.459 7.071 -7.291 1.00 0.00 H new ATOM 0 HG2 LYS A 6 16.002 4.741 -6.180 1.00 0.00 H new ATOM 0 HG3 LYS A 6 16.469 4.057 -7.725 1.00 0.00 H new ATOM 0 HD2 LYS A 6 18.679 5.187 -7.592 1.00 0.00 H new ATOM 0 HD3 LYS A 6 18.214 5.967 -6.093 1.00 0.00 H new ATOM 0 HE2 LYS A 6 17.939 3.780 -4.981 1.00 0.00 H new ATOM 0 HE3 LYS A 6 18.239 2.938 -6.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 20.201 2.981 -5.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 20.476 3.862 -6.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 20.185 4.679 -5.068 1.00 0.00 H new ATOM 105 N GLN A 7 14.307 7.487 -5.701 1.00 0.00 N ATOM 106 CA GLN A 7 14.141 7.627 -4.254 1.00 0.00 C ATOM 107 C GLN A 7 12.674 7.459 -3.798 1.00 0.00 C ATOM 108 O GLN A 7 12.420 6.941 -2.708 1.00 0.00 O ATOM 109 CB GLN A 7 14.768 8.958 -3.783 1.00 0.00 C ATOM 110 CG GLN A 7 13.853 10.189 -3.847 1.00 0.00 C ATOM 111 CD GLN A 7 14.602 11.518 -3.674 1.00 0.00 C ATOM 112 OE1 GLN A 7 15.777 11.585 -3.329 1.00 0.00 O ATOM 113 NE2 GLN A 7 13.947 12.634 -3.915 1.00 0.00 N ATOM 0 H GLN A 7 14.680 8.319 -6.158 1.00 0.00 H new ATOM 0 HA GLN A 7 14.676 6.810 -3.770 1.00 0.00 H new ATOM 0 HB2 GLN A 7 15.107 8.834 -2.754 1.00 0.00 H new ATOM 0 HB3 GLN A 7 15.653 9.155 -4.388 1.00 0.00 H new ATOM 0 HG2 GLN A 7 13.333 10.196 -4.805 1.00 0.00 H new ATOM 0 HG3 GLN A 7 13.091 10.107 -3.072 1.00 0.00 H new ATOM 0 HE21 GLN A 7 12.969 12.599 -4.203 1.00 0.00 H new ATOM 0 HE22 GLN A 7 14.417 13.533 -3.814 1.00 0.00 H new ATOM 122 N LYS A 8 11.701 7.832 -4.650 1.00 0.00 N ATOM 123 CA LYS A 8 10.260 7.682 -4.376 1.00 0.00 C ATOM 124 C LYS A 8 9.818 6.212 -4.279 1.00 0.00 C ATOM 125 O LYS A 8 8.994 5.892 -3.429 1.00 0.00 O ATOM 126 CB LYS A 8 9.450 8.494 -5.415 1.00 0.00 C ATOM 127 CG LYS A 8 9.464 7.833 -6.802 1.00 0.00 C ATOM 128 CD LYS A 8 9.045 8.706 -7.990 1.00 0.00 C ATOM 129 CE LYS A 8 7.595 9.205 -7.979 1.00 0.00 C ATOM 130 NZ LYS A 8 7.194 9.590 -9.352 1.00 0.00 N ATOM 0 H LYS A 8 11.896 8.251 -5.559 1.00 0.00 H new ATOM 0 HA LYS A 8 10.053 8.092 -3.388 1.00 0.00 H new ATOM 0 HB2 LYS A 8 8.420 8.595 -5.072 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.862 9.500 -5.489 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.472 7.463 -6.991 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.806 6.964 -6.771 1.00 0.00 H new ATOM 0 HD2 LYS A 8 9.706 9.572 -8.030 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.206 8.139 -8.907 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.934 8.425 -7.601 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.498 10.058 -7.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.608 10.448 -9.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.043 9.776 -9.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.649 8.817 -9.784 1.00 0.00 H new ATOM 144 N GLU A 9 10.366 5.302 -5.095 1.00 0.00 N ATOM 145 CA GLU A 9 10.018 3.865 -5.027 1.00 0.00 C ATOM 146 C GLU A 9 10.970 3.081 -4.106 1.00 0.00 C ATOM 147 O GLU A 9 10.527 2.192 -3.375 1.00 0.00 O ATOM 148 CB GLU A 9 9.882 3.253 -6.437 1.00 0.00 C ATOM 149 CG GLU A 9 8.810 3.995 -7.256 1.00 0.00 C ATOM 150 CD GLU A 9 8.330 3.232 -8.496 1.00 0.00 C ATOM 151 OE1 GLU A 9 7.133 2.874 -8.578 1.00 0.00 O ATOM 152 OE2 GLU A 9 9.108 3.073 -9.466 1.00 0.00 O ATOM 0 H GLU A 9 11.054 5.530 -5.813 1.00 0.00 H new ATOM 0 HA GLU A 9 9.035 3.782 -4.563 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.840 3.304 -6.954 1.00 0.00 H new ATOM 0 HB3 GLU A 9 9.619 2.198 -6.356 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.953 4.198 -6.613 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.210 4.960 -7.568 1.00 0.00 H new ATOM 160 N GLN A 10 12.238 3.505 -4.018 1.00 0.00 N ATOM 161 CA GLN A 10 13.209 3.075 -3.002 1.00 0.00 C ATOM 162 C GLN A 10 12.624 3.167 -1.582 1.00 0.00 C ATOM 163 O GLN A 10 12.820 2.254 -0.783 1.00 0.00 O ATOM 164 CB GLN A 10 14.454 3.972 -3.134 1.00 0.00 C ATOM 165 CG GLN A 10 15.611 3.651 -2.173 1.00 0.00 C ATOM 166 CD GLN A 10 16.680 4.748 -2.165 1.00 0.00 C ATOM 167 OE1 GLN A 10 16.885 5.488 -3.119 1.00 0.00 O ATOM 168 NE2 GLN A 10 17.397 4.913 -1.077 1.00 0.00 N ATOM 0 H GLN A 10 12.630 4.180 -4.675 1.00 0.00 H new ATOM 0 HA GLN A 10 13.469 2.029 -3.165 1.00 0.00 H new ATOM 0 HB2 GLN A 10 14.825 3.900 -4.157 1.00 0.00 H new ATOM 0 HB3 GLN A 10 14.152 5.007 -2.977 1.00 0.00 H new ATOM 0 HG2 GLN A 10 15.218 3.522 -1.165 1.00 0.00 H new ATOM 0 HG3 GLN A 10 16.067 2.704 -2.461 1.00 0.00 H new ATOM 0 HE21 GLN A 10 17.245 4.309 -0.269 1.00 0.00 H new ATOM 0 HE22 GLN A 10 18.106 5.645 -1.040 1.00 0.00 H new ATOM 177 N GLY A 11 11.849 4.214 -1.270 1.00 0.00 N ATOM 178 CA GLY A 11 11.174 4.368 0.025 1.00 0.00 C ATOM 179 C GLY A 11 10.325 3.154 0.435 1.00 0.00 C ATOM 180 O GLY A 11 10.429 2.694 1.572 1.00 0.00 O ATOM 0 H GLY A 11 11.672 4.984 -1.915 1.00 0.00 H new ATOM 0 HA2 GLY A 11 11.924 4.551 0.795 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.534 5.250 -0.013 1.00 0.00 H new ATOM 184 N ASN A 12 9.549 2.560 -0.481 1.00 0.00 N ATOM 185 CA ASN A 12 8.744 1.372 -0.161 1.00 0.00 C ATOM 186 C ASN A 12 9.620 0.124 0.055 1.00 0.00 C ATOM 187 O ASN A 12 9.380 -0.653 0.985 1.00 0.00 O ATOM 188 CB ASN A 12 7.688 1.146 -1.258 1.00 0.00 C ATOM 189 CG ASN A 12 6.656 0.110 -0.838 1.00 0.00 C ATOM 190 OD1 ASN A 12 6.231 0.053 0.308 1.00 0.00 O ATOM 191 ND2 ASN A 12 6.240 -0.764 -1.720 1.00 0.00 N ATOM 0 H ASN A 12 9.461 2.880 -1.445 1.00 0.00 H new ATOM 0 HA ASN A 12 8.230 1.550 0.783 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.188 2.088 -1.482 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.179 0.820 -2.175 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.569 -1.482 -1.449 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.587 -0.726 -2.678 1.00 0.00 H new ATOM 198 N SER A 13 10.676 -0.025 -0.751 1.00 0.00 N ATOM 199 CA SER A 13 11.684 -1.082 -0.606 1.00 0.00 C ATOM 200 C SER A 13 12.468 -0.971 0.713 1.00 0.00 C ATOM 201 O SER A 13 12.816 -1.992 1.306 1.00 0.00 O ATOM 202 CB SER A 13 12.630 -1.024 -1.814 1.00 0.00 C ATOM 203 OG SER A 13 13.701 -1.941 -1.701 1.00 0.00 O ATOM 0 H SER A 13 10.858 0.598 -1.538 1.00 0.00 H new ATOM 0 HA SER A 13 11.175 -2.045 -0.573 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.068 -1.236 -2.724 1.00 0.00 H new ATOM 0 HB3 SER A 13 13.028 -0.014 -1.913 1.00 0.00 H new ATOM 0 HG SER A 13 14.276 -1.871 -2.491 1.00 0.00 H new ATOM 209 N LEU A 14 12.694 0.236 1.245 1.00 0.00 N ATOM 210 CA LEU A 14 13.340 0.443 2.551 1.00 0.00 C ATOM 211 C LEU A 14 12.455 -0.023 3.722 1.00 0.00 C ATOM 212 O LEU A 14 12.966 -0.669 4.641 1.00 0.00 O ATOM 213 CB LEU A 14 13.767 1.915 2.697 1.00 0.00 C ATOM 214 CG LEU A 14 14.968 2.329 1.824 1.00 0.00 C ATOM 215 CD1 LEU A 14 15.115 3.851 1.857 1.00 0.00 C ATOM 216 CD2 LEU A 14 16.285 1.726 2.309 1.00 0.00 C ATOM 0 H LEU A 14 12.432 1.105 0.779 1.00 0.00 H new ATOM 0 HA LEU A 14 14.234 -0.180 2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 14 12.918 2.551 2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 14 14.012 2.106 3.742 1.00 0.00 H new ATOM 0 HG LEU A 14 14.769 1.960 0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 14 15.964 4.148 1.241 1.00 0.00 H new ATOM 0 HD12 LEU A 14 14.206 4.313 1.470 1.00 0.00 H new ATOM 0 HD13 LEU A 14 15.280 4.178 2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 14 17.096 2.051 1.657 1.00 0.00 H new ATOM 0 HD22 LEU A 14 16.483 2.058 3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 14 16.217 0.638 2.288 1.00 0.00 H new ATOM 228 N PHE A 15 11.128 0.172 3.664 1.00 0.00 N ATOM 229 CA PHE A 15 10.192 -0.507 4.584 1.00 0.00 C ATOM 230 C PHE A 15 10.224 -2.037 4.423 1.00 0.00 C ATOM 231 O PHE A 15 10.085 -2.768 5.402 1.00 0.00 O ATOM 232 CB PHE A 15 8.757 0.010 4.393 1.00 0.00 C ATOM 233 CG PHE A 15 8.481 1.360 5.023 1.00 0.00 C ATOM 234 CD1 PHE A 15 8.250 1.449 6.409 1.00 0.00 C ATOM 235 CD2 PHE A 15 8.416 2.522 4.234 1.00 0.00 C ATOM 236 CE1 PHE A 15 8.020 2.699 7.006 1.00 0.00 C ATOM 237 CE2 PHE A 15 8.178 3.773 4.832 1.00 0.00 C ATOM 238 CZ PHE A 15 7.991 3.863 6.223 1.00 0.00 C ATOM 0 H PHE A 15 10.676 0.793 2.992 1.00 0.00 H new ATOM 0 HA PHE A 15 10.524 -0.271 5.595 1.00 0.00 H new ATOM 0 HB2 PHE A 15 8.547 0.073 3.325 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.064 -0.720 4.812 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.250 0.554 7.014 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.549 2.454 3.164 1.00 0.00 H new ATOM 0 HE1 PHE A 15 7.865 2.765 8.073 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.139 4.664 4.223 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.826 4.824 6.687 1.00 0.00 H new ATOM 248 N LYS A 16 10.469 -2.517 3.199 1.00 0.00 N ATOM 249 CA LYS A 16 10.666 -3.937 2.833 1.00 0.00 C ATOM 250 C LYS A 16 12.080 -4.487 3.101 1.00 0.00 C ATOM 251 O LYS A 16 12.398 -5.603 2.691 1.00 0.00 O ATOM 252 CB LYS A 16 10.201 -4.144 1.375 1.00 0.00 C ATOM 253 CG LYS A 16 8.979 -5.063 1.235 1.00 0.00 C ATOM 254 CD LYS A 16 7.756 -4.703 2.098 1.00 0.00 C ATOM 255 CE LYS A 16 7.367 -3.222 2.202 1.00 0.00 C ATOM 256 NZ LYS A 16 6.956 -2.644 0.906 1.00 0.00 N ATOM 0 H LYS A 16 10.540 -1.899 2.390 1.00 0.00 H new ATOM 0 HA LYS A 16 10.048 -4.536 3.501 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.965 -3.174 0.938 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.025 -4.562 0.797 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.671 -5.067 0.189 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.285 -6.080 1.481 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.897 -5.249 1.707 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.937 -5.074 3.107 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.551 -3.115 2.917 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.212 -2.656 2.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.737 -1.635 1.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.729 -2.749 0.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.112 -3.141 0.556 1.00 0.00 H new ATOM 270 N GLN A 17 12.903 -3.727 3.823 1.00 0.00 N ATOM 271 CA GLN A 17 14.161 -4.169 4.440 1.00 0.00 C ATOM 272 C GLN A 17 14.118 -3.973 5.963 1.00 0.00 C ATOM 273 O GLN A 17 14.474 -4.877 6.715 1.00 0.00 O ATOM 274 CB GLN A 17 15.336 -3.394 3.829 1.00 0.00 C ATOM 275 CG GLN A 17 15.683 -3.892 2.420 1.00 0.00 C ATOM 276 CD GLN A 17 16.402 -2.807 1.638 1.00 0.00 C ATOM 277 OE1 GLN A 17 17.620 -2.692 1.617 1.00 0.00 O ATOM 278 NE2 GLN A 17 15.668 -1.928 1.002 1.00 0.00 N ATOM 0 H GLN A 17 12.706 -2.743 4.004 1.00 0.00 H new ATOM 0 HA GLN A 17 14.296 -5.232 4.243 1.00 0.00 H new ATOM 0 HB2 GLN A 17 15.088 -2.333 3.788 1.00 0.00 H new ATOM 0 HB3 GLN A 17 16.209 -3.492 4.474 1.00 0.00 H new ATOM 0 HG2 GLN A 17 16.312 -4.780 2.486 1.00 0.00 H new ATOM 0 HG3 GLN A 17 14.773 -4.184 1.896 1.00 0.00 H new ATOM 0 HE21 GLN A 17 14.651 -2.011 1.010 1.00 0.00 H new ATOM 0 HE22 GLN A 17 16.113 -1.161 0.498 1.00 0.00 H new ATOM 287 N GLY A 18 13.632 -2.818 6.428 1.00 0.00 N ATOM 288 CA GLY A 18 13.517 -2.457 7.852 1.00 0.00 C ATOM 289 C GLY A 18 13.971 -1.031 8.194 1.00 0.00 C ATOM 290 O GLY A 18 13.878 -0.623 9.350 1.00 0.00 O ATOM 0 H GLY A 18 13.296 -2.082 5.807 1.00 0.00 H new ATOM 0 HA2 GLY A 18 12.478 -2.576 8.160 1.00 0.00 H new ATOM 0 HA3 GLY A 18 14.106 -3.161 8.439 1.00 0.00 H new ATOM 294 N LEU A 19 14.452 -0.269 7.207 1.00 0.00 N ATOM 295 CA LEU A 19 15.109 1.036 7.353 1.00 0.00 C ATOM 296 C LEU A 19 14.086 2.174 7.361 1.00 0.00 C ATOM 297 O LEU A 19 14.168 3.112 6.572 1.00 0.00 O ATOM 298 CB LEU A 19 16.215 1.169 6.287 1.00 0.00 C ATOM 299 CG LEU A 19 17.312 0.084 6.349 1.00 0.00 C ATOM 300 CD1 LEU A 19 18.371 0.356 5.282 1.00 0.00 C ATOM 301 CD2 LEU A 19 18.012 0.031 7.707 1.00 0.00 C ATOM 0 H LEU A 19 14.391 -0.561 6.232 1.00 0.00 H new ATOM 0 HA LEU A 19 15.601 1.109 8.323 1.00 0.00 H new ATOM 0 HB2 LEU A 19 15.753 1.142 5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 19 16.685 2.147 6.392 1.00 0.00 H new ATOM 0 HG LEU A 19 16.815 -0.871 6.180 1.00 0.00 H new ATOM 0 HD11 LEU A 19 19.142 -0.413 5.331 1.00 0.00 H new ATOM 0 HD12 LEU A 19 17.906 0.342 4.296 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.821 1.333 5.457 1.00 0.00 H new ATOM 0 HD21 LEU A 19 18.773 -0.749 7.694 1.00 0.00 H new ATOM 0 HD22 LEU A 19 18.482 0.993 7.912 1.00 0.00 H new ATOM 0 HD23 LEU A 19 17.281 -0.189 8.485 1.00 0.00 H new ATOM 313 N TYR A 20 13.097 2.066 8.247 1.00 0.00 N ATOM 314 CA TYR A 20 11.936 2.963 8.328 1.00 0.00 C ATOM 315 C TYR A 20 12.319 4.447 8.434 1.00 0.00 C ATOM 316 O TYR A 20 11.657 5.287 7.825 1.00 0.00 O ATOM 317 CB TYR A 20 11.035 2.564 9.516 1.00 0.00 C ATOM 318 CG TYR A 20 10.737 1.080 9.682 1.00 0.00 C ATOM 319 CD1 TYR A 20 10.551 0.255 8.558 1.00 0.00 C ATOM 320 CD2 TYR A 20 10.629 0.527 10.973 1.00 0.00 C ATOM 321 CE1 TYR A 20 10.267 -1.112 8.717 1.00 0.00 C ATOM 322 CE2 TYR A 20 10.344 -0.844 11.137 1.00 0.00 C ATOM 323 CZ TYR A 20 10.167 -1.672 10.011 1.00 0.00 C ATOM 324 OH TYR A 20 9.914 -3.001 10.174 1.00 0.00 O ATOM 0 H TYR A 20 13.077 1.330 8.952 1.00 0.00 H new ATOM 0 HA TYR A 20 11.391 2.847 7.391 1.00 0.00 H new ATOM 0 HB2 TYR A 20 11.504 2.921 10.433 1.00 0.00 H new ATOM 0 HB3 TYR A 20 10.087 3.092 9.416 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.627 0.675 7.566 1.00 0.00 H new ATOM 0 HD2 TYR A 20 10.765 1.156 11.841 1.00 0.00 H new ATOM 0 HE1 TYR A 20 10.125 -1.737 7.848 1.00 0.00 H new ATOM 0 HE2 TYR A 20 10.261 -1.261 12.130 1.00 0.00 H new ATOM 0 HH TYR A 20 9.880 -3.213 11.130 1.00 0.00 H new ATOM 334 N ARG A 21 13.409 4.793 9.136 1.00 0.00 N ATOM 335 CA ARG A 21 13.831 6.199 9.299 1.00 0.00 C ATOM 336 C ARG A 21 14.477 6.761 8.026 1.00 0.00 C ATOM 337 O ARG A 21 14.235 7.924 7.706 1.00 0.00 O ATOM 338 CB ARG A 21 14.712 6.382 10.550 1.00 0.00 C ATOM 339 CG ARG A 21 13.942 6.368 11.889 1.00 0.00 C ATOM 340 CD ARG A 21 13.431 4.987 12.327 1.00 0.00 C ATOM 341 NE ARG A 21 12.766 5.030 13.645 1.00 0.00 N ATOM 342 CZ ARG A 21 12.221 4.013 14.292 1.00 0.00 C ATOM 343 NH1 ARG A 21 12.305 2.784 13.865 1.00 0.00 N ATOM 344 NH2 ARG A 21 11.566 4.213 15.397 1.00 0.00 N ATOM 0 H ARG A 21 14.017 4.120 9.602 1.00 0.00 H new ATOM 0 HA ARG A 21 12.932 6.793 9.462 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.461 5.591 10.569 1.00 0.00 H new ATOM 0 HB3 ARG A 21 15.249 7.327 10.465 1.00 0.00 H new ATOM 0 HG2 ARG A 21 14.592 6.763 12.669 1.00 0.00 H new ATOM 0 HG3 ARG A 21 13.092 7.045 11.810 1.00 0.00 H new ATOM 0 HD2 ARG A 21 12.732 4.607 11.582 1.00 0.00 H new ATOM 0 HD3 ARG A 21 14.267 4.288 12.366 1.00 0.00 H new ATOM 0 HE ARG A 21 12.722 5.939 14.105 1.00 0.00 H new ATOM 0 HH11 ARG A 21 12.806 2.577 13.001 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.870 2.029 14.395 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.470 5.158 15.769 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.148 3.425 15.892 1.00 0.00 H new ATOM 358 N GLU A 22 15.198 5.948 7.248 1.00 0.00 N ATOM 359 CA GLU A 22 15.641 6.327 5.890 1.00 0.00 C ATOM 360 C GLU A 22 14.495 6.268 4.866 1.00 0.00 C ATOM 361 O GLU A 22 14.474 7.047 3.914 1.00 0.00 O ATOM 362 CB GLU A 22 16.798 5.430 5.420 1.00 0.00 C ATOM 363 CG GLU A 22 18.144 5.905 5.972 1.00 0.00 C ATOM 364 CD GLU A 22 19.264 4.915 5.643 1.00 0.00 C ATOM 365 OE1 GLU A 22 19.621 4.119 6.546 1.00 0.00 O ATOM 366 OE2 GLU A 22 19.797 4.924 4.501 1.00 0.00 O ATOM 0 H GLU A 22 15.493 5.014 7.533 1.00 0.00 H new ATOM 0 HA GLU A 22 15.985 7.360 5.952 1.00 0.00 H new ATOM 0 HB2 GLU A 22 16.616 4.404 5.739 1.00 0.00 H new ATOM 0 HB3 GLU A 22 16.834 5.423 4.331 1.00 0.00 H new ATOM 0 HG2 GLU A 22 18.386 6.882 5.554 1.00 0.00 H new ATOM 0 HG3 GLU A 22 18.072 6.029 7.052 1.00 0.00 H new ATOM 374 N ALA A 23 13.508 5.389 5.061 1.00 0.00 N ATOM 375 CA ALA A 23 12.324 5.341 4.206 1.00 0.00 C ATOM 376 C ALA A 23 11.484 6.627 4.317 1.00 0.00 C ATOM 377 O ALA A 23 11.106 7.211 3.298 1.00 0.00 O ATOM 378 CB ALA A 23 11.507 4.097 4.561 1.00 0.00 C ATOM 0 H ALA A 23 13.509 4.697 5.810 1.00 0.00 H new ATOM 0 HA ALA A 23 12.639 5.277 3.165 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.620 4.051 3.929 1.00 0.00 H new ATOM 0 HB2 ALA A 23 12.113 3.206 4.401 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.204 4.147 5.607 1.00 0.00 H new ATOM 384 N VAL A 24 11.268 7.112 5.546 1.00 0.00 N ATOM 385 CA VAL A 24 10.659 8.425 5.816 1.00 0.00 C ATOM 386 C VAL A 24 11.530 9.558 5.266 1.00 0.00 C ATOM 387 O VAL A 24 11.006 10.450 4.602 1.00 0.00 O ATOM 388 CB VAL A 24 10.365 8.587 7.324 1.00 0.00 C ATOM 389 CG1 VAL A 24 9.913 10.005 7.692 1.00 0.00 C ATOM 390 CG2 VAL A 24 9.235 7.632 7.735 1.00 0.00 C ATOM 0 H VAL A 24 11.513 6.599 6.393 1.00 0.00 H new ATOM 0 HA VAL A 24 9.704 8.482 5.293 1.00 0.00 H new ATOM 0 HB VAL A 24 11.298 8.367 7.844 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.721 10.059 8.764 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.695 10.716 7.427 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.001 10.249 7.147 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.029 7.748 8.799 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.336 7.865 7.164 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.536 6.604 7.534 1.00 0.00 H new ATOM 400 N HIS A 25 12.858 9.484 5.429 1.00 0.00 N ATOM 401 CA HIS A 25 13.792 10.464 4.861 1.00 0.00 C ATOM 402 C HIS A 25 13.616 10.642 3.345 1.00 0.00 C ATOM 403 O HIS A 25 13.639 11.772 2.853 1.00 0.00 O ATOM 404 CB HIS A 25 15.235 10.041 5.177 1.00 0.00 C ATOM 405 CG HIS A 25 16.252 11.101 4.859 1.00 0.00 C ATOM 406 ND1 HIS A 25 17.023 11.186 3.723 1.00 0.00 N ATOM 407 CD2 HIS A 25 16.622 12.129 5.677 1.00 0.00 C ATOM 408 CE1 HIS A 25 17.834 12.250 3.849 1.00 0.00 C ATOM 409 NE2 HIS A 25 17.622 12.860 5.026 1.00 0.00 N ATOM 0 H HIS A 25 13.315 8.742 5.959 1.00 0.00 H new ATOM 0 HA HIS A 25 13.572 11.428 5.320 1.00 0.00 H new ATOM 0 HB2 HIS A 25 15.307 9.784 6.234 1.00 0.00 H new ATOM 0 HB3 HIS A 25 15.473 9.139 4.613 1.00 0.00 H new ATOM 0 HD2 HIS A 25 16.215 12.341 6.655 1.00 0.00 H new ATOM 0 HE1 HIS A 25 18.553 12.569 3.109 1.00 0.00 H new ATOM 0 HE2 HIS A 25 18.096 13.692 5.377 1.00 0.00 H new ATOM 418 N CYS A 26 13.389 9.549 2.604 1.00 0.00 N ATOM 419 CA CYS A 26 13.184 9.590 1.154 1.00 0.00 C ATOM 420 C CYS A 26 11.857 10.254 0.755 1.00 0.00 C ATOM 421 O CYS A 26 11.869 11.044 -0.192 1.00 0.00 O ATOM 422 CB CYS A 26 13.342 8.180 0.557 1.00 0.00 C ATOM 423 SG CYS A 26 15.030 7.559 0.816 1.00 0.00 S ATOM 0 H CYS A 26 13.343 8.609 2.997 1.00 0.00 H new ATOM 0 HA CYS A 26 13.958 10.228 0.727 1.00 0.00 H new ATOM 0 HB2 CYS A 26 12.625 7.502 1.019 1.00 0.00 H new ATOM 0 HB3 CYS A 26 13.117 8.204 -0.509 1.00 0.00 H new ATOM 0 HG CYS A 26 15.184 7.229 2.064 1.00 0.00 H new ATOM 429 N TYR A 27 10.744 10.041 1.476 1.00 0.00 N ATOM 430 CA TYR A 27 9.514 10.803 1.194 1.00 0.00 C ATOM 431 C TYR A 27 9.670 12.282 1.583 1.00 0.00 C ATOM 432 O TYR A 27 9.187 13.174 0.882 1.00 0.00 O ATOM 433 CB TYR A 27 8.248 10.120 1.760 1.00 0.00 C ATOM 434 CG TYR A 27 7.764 10.417 3.174 1.00 0.00 C ATOM 435 CD1 TYR A 27 7.403 11.725 3.564 1.00 0.00 C ATOM 436 CD2 TYR A 27 7.513 9.348 4.054 1.00 0.00 C ATOM 437 CE1 TYR A 27 6.882 11.974 4.846 1.00 0.00 C ATOM 438 CE2 TYR A 27 6.933 9.584 5.316 1.00 0.00 C ATOM 439 CZ TYR A 27 6.641 10.901 5.725 1.00 0.00 C ATOM 440 OH TYR A 27 6.084 11.139 6.942 1.00 0.00 O ATOM 0 H TYR A 27 10.668 9.367 2.238 1.00 0.00 H new ATOM 0 HA TYR A 27 9.358 10.799 0.115 1.00 0.00 H new ATOM 0 HB2 TYR A 27 7.427 10.359 1.084 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.410 9.044 1.697 1.00 0.00 H new ATOM 0 HD1 TYR A 27 7.528 12.543 2.870 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.767 8.340 3.760 1.00 0.00 H new ATOM 0 HE1 TYR A 27 6.667 12.986 5.156 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.712 8.754 5.971 1.00 0.00 H new ATOM 0 HH TYR A 27 5.983 10.293 7.427 1.00 0.00 H new ATOM 450 N ASP A 28 10.399 12.562 2.666 1.00 0.00 N ATOM 451 CA ASP A 28 10.644 13.915 3.168 1.00 0.00 C ATOM 452 C ASP A 28 11.525 14.747 2.219 1.00 0.00 C ATOM 453 O ASP A 28 11.400 15.974 2.206 1.00 0.00 O ATOM 454 CB ASP A 28 11.227 13.803 4.588 1.00 0.00 C ATOM 455 CG ASP A 28 11.152 15.089 5.416 1.00 0.00 C ATOM 456 OD1 ASP A 28 12.179 15.478 6.020 1.00 0.00 O ATOM 457 OD2 ASP A 28 10.042 15.638 5.615 1.00 0.00 O ATOM 0 H ASP A 28 10.845 11.838 3.230 1.00 0.00 H new ATOM 0 HA ASP A 28 9.703 14.463 3.212 1.00 0.00 H new ATOM 0 HB2 ASP A 28 10.699 13.013 5.121 1.00 0.00 H new ATOM 0 HB3 ASP A 28 12.270 13.495 4.514 1.00 0.00 H new ATOM 463 N GLN A 29 12.323 14.109 1.348 1.00 0.00 N ATOM 464 CA GLN A 29 12.984 14.806 0.238 1.00 0.00 C ATOM 465 C GLN A 29 11.961 15.333 -0.782 1.00 0.00 C ATOM 466 O GLN A 29 12.015 16.514 -1.132 1.00 0.00 O ATOM 467 CB GLN A 29 14.027 13.932 -0.493 1.00 0.00 C ATOM 468 CG GLN A 29 15.166 13.318 0.337 1.00 0.00 C ATOM 469 CD GLN A 29 15.773 14.255 1.378 1.00 0.00 C ATOM 470 OE1 GLN A 29 16.567 15.140 1.066 1.00 0.00 O ATOM 471 NE2 GLN A 29 15.409 14.108 2.630 1.00 0.00 N ATOM 0 H GLN A 29 12.525 13.110 1.393 1.00 0.00 H new ATOM 0 HA GLN A 29 13.512 15.643 0.694 1.00 0.00 H new ATOM 0 HB2 GLN A 29 13.494 13.117 -0.983 1.00 0.00 H new ATOM 0 HB3 GLN A 29 14.477 14.537 -1.280 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.790 12.429 0.843 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.955 12.990 -0.340 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.750 13.373 2.887 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.785 14.729 3.347 1.00 0.00 H new ATOM 480 N LEU A 30 10.991 14.510 -1.222 1.00 0.00 N ATOM 481 CA LEU A 30 10.034 14.957 -2.259 1.00 0.00 C ATOM 482 C LEU A 30 9.086 16.032 -1.695 1.00 0.00 C ATOM 483 O LEU A 30 8.791 16.996 -2.390 1.00 0.00 O ATOM 484 CB LEU A 30 9.256 13.833 -3.011 1.00 0.00 C ATOM 485 CG LEU A 30 9.423 12.361 -2.593 1.00 0.00 C ATOM 486 CD1 LEU A 30 8.333 11.496 -3.233 1.00 0.00 C ATOM 487 CD2 LEU A 30 10.758 11.775 -3.050 1.00 0.00 C ATOM 0 H LEU A 30 10.848 13.557 -0.889 1.00 0.00 H new ATOM 0 HA LEU A 30 10.659 15.390 -3.040 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.195 14.071 -2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.527 13.902 -4.065 1.00 0.00 H new ATOM 0 HG LEU A 30 9.364 12.352 -1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.466 10.458 -2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.353 11.847 -2.910 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.403 11.566 -4.318 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.827 10.735 -2.731 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.825 11.826 -4.137 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.576 12.345 -2.609 1.00 0.00 H new ATOM 499 N ILE A 31 8.668 15.929 -0.427 1.00 0.00 N ATOM 500 CA ILE A 31 7.802 16.943 0.213 1.00 0.00 C ATOM 501 C ILE A 31 8.575 18.234 0.568 1.00 0.00 C ATOM 502 O ILE A 31 7.976 19.308 0.659 1.00 0.00 O ATOM 503 CB ILE A 31 7.033 16.327 1.412 1.00 0.00 C ATOM 504 CG1 ILE A 31 6.192 15.116 0.940 1.00 0.00 C ATOM 505 CG2 ILE A 31 6.111 17.371 2.072 1.00 0.00 C ATOM 506 CD1 ILE A 31 5.358 14.428 2.028 1.00 0.00 C ATOM 0 H ILE A 31 8.914 15.150 0.184 1.00 0.00 H new ATOM 0 HA ILE A 31 7.051 17.258 -0.512 1.00 0.00 H new ATOM 0 HB ILE A 31 7.765 15.996 2.148 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.521 15.448 0.148 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.864 14.378 0.500 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.584 16.913 2.909 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.709 18.208 2.433 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.387 17.731 1.341 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.808 13.594 1.592 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.018 14.057 2.812 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.655 15.143 2.454 1.00 0.00 H new ATOM 518 N THR A 32 9.905 18.186 0.706 1.00 0.00 N ATOM 519 CA THR A 32 10.737 19.399 0.856 1.00 0.00 C ATOM 520 C THR A 32 10.986 20.091 -0.491 1.00 0.00 C ATOM 521 O THR A 32 10.896 21.321 -0.571 1.00 0.00 O ATOM 522 CB THR A 32 12.060 19.084 1.575 1.00 0.00 C ATOM 523 OG1 THR A 32 11.777 18.523 2.842 1.00 0.00 O ATOM 524 CG2 THR A 32 12.909 20.329 1.833 1.00 0.00 C ATOM 0 H THR A 32 10.437 17.316 0.718 1.00 0.00 H new ATOM 0 HA THR A 32 10.178 20.098 1.479 1.00 0.00 H new ATOM 0 HB THR A 32 12.611 18.405 0.924 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.398 17.627 2.726 1.00 0.00 H new ATOM 0 HG21 THR A 32 13.829 20.043 2.343 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.153 20.806 0.884 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.351 21.027 2.457 1.00 0.00 H new ATOM 532 N ALA A 33 11.259 19.329 -1.557 1.00 0.00 N ATOM 533 CA ALA A 33 11.574 19.856 -2.889 1.00 0.00 C ATOM 534 C ALA A 33 10.338 20.194 -3.750 1.00 0.00 C ATOM 535 O ALA A 33 10.430 21.032 -4.653 1.00 0.00 O ATOM 536 CB ALA A 33 12.471 18.829 -3.592 1.00 0.00 C ATOM 0 H ALA A 33 11.267 18.310 -1.516 1.00 0.00 H new ATOM 0 HA ALA A 33 12.082 20.812 -2.762 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.725 19.190 -4.589 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.384 18.687 -3.014 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.942 17.880 -3.674 1.00 0.00 H new ATOM 542 N GLN A 34 9.189 19.558 -3.502 1.00 0.00 N ATOM 543 CA GLN A 34 7.953 19.688 -4.291 1.00 0.00 C ATOM 544 C GLN A 34 6.703 19.775 -3.368 1.00 0.00 C ATOM 545 O GLN A 34 5.859 18.872 -3.391 1.00 0.00 O ATOM 546 CB GLN A 34 7.889 18.519 -5.304 1.00 0.00 C ATOM 547 CG GLN A 34 9.108 18.383 -6.238 1.00 0.00 C ATOM 548 CD GLN A 34 9.032 17.126 -7.098 1.00 0.00 C ATOM 549 OE1 GLN A 34 8.379 17.081 -8.138 1.00 0.00 O ATOM 550 NE2 GLN A 34 9.699 16.061 -6.708 1.00 0.00 N ATOM 0 H GLN A 34 9.087 18.914 -2.718 1.00 0.00 H new ATOM 0 HA GLN A 34 7.959 20.621 -4.854 1.00 0.00 H new ATOM 0 HB2 GLN A 34 7.772 17.587 -4.750 1.00 0.00 H new ATOM 0 HB3 GLN A 34 6.996 18.640 -5.917 1.00 0.00 H new ATOM 0 HG2 GLN A 34 9.170 19.260 -6.882 1.00 0.00 H new ATOM 0 HG3 GLN A 34 10.020 18.360 -5.642 1.00 0.00 H new ATOM 0 HE21 GLN A 34 10.244 16.088 -5.846 1.00 0.00 H new ATOM 0 HE22 GLN A 34 9.671 15.209 -7.267 1.00 0.00 H new ATOM 559 N PRO A 35 6.557 20.827 -2.524 1.00 0.00 N ATOM 560 CA PRO A 35 5.597 20.853 -1.406 1.00 0.00 C ATOM 561 C PRO A 35 4.098 20.795 -1.725 1.00 0.00 C ATOM 562 O PRO A 35 3.298 20.641 -0.800 1.00 0.00 O ATOM 563 CB PRO A 35 5.859 22.165 -0.666 1.00 0.00 C ATOM 564 CG PRO A 35 7.324 22.458 -0.965 1.00 0.00 C ATOM 565 CD PRO A 35 7.425 21.999 -2.419 1.00 0.00 C ATOM 0 HA PRO A 35 5.775 19.931 -0.852 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.209 22.964 -1.024 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.681 22.064 0.405 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.565 23.515 -0.849 1.00 0.00 H new ATOM 0 HG3 PRO A 35 7.997 21.904 -0.310 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.105 22.786 -3.101 1.00 0.00 H new ATOM 0 HD3 PRO A 35 8.453 21.750 -2.681 1.00 0.00 H new ATOM 573 N GLN A 36 3.702 20.969 -2.988 1.00 0.00 N ATOM 574 CA GLN A 36 2.298 20.936 -3.422 1.00 0.00 C ATOM 575 C GLN A 36 2.034 19.864 -4.502 1.00 0.00 C ATOM 576 O GLN A 36 0.925 19.734 -5.026 1.00 0.00 O ATOM 577 CB GLN A 36 1.874 22.354 -3.841 1.00 0.00 C ATOM 578 CG GLN A 36 0.352 22.486 -4.007 1.00 0.00 C ATOM 579 CD GLN A 36 -0.092 23.934 -4.012 1.00 0.00 C ATOM 580 OE1 GLN A 36 -0.613 24.431 -3.021 1.00 0.00 O ATOM 581 NE2 GLN A 36 0.095 24.654 -5.092 1.00 0.00 N ATOM 0 H GLN A 36 4.356 21.140 -3.752 1.00 0.00 H new ATOM 0 HA GLN A 36 1.670 20.627 -2.587 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.218 23.069 -3.094 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.363 22.614 -4.780 1.00 0.00 H new ATOM 0 HG2 GLN A 36 0.046 22.009 -4.938 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.149 21.955 -3.197 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.529 24.236 -5.915 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.194 25.632 -5.109 1.00 0.00 H new ATOM 590 N ASN A 37 3.043 19.062 -4.849 1.00 0.00 N ATOM 591 CA ASN A 37 2.890 17.951 -5.781 1.00 0.00 C ATOM 592 C ASN A 37 2.297 16.722 -5.058 1.00 0.00 C ATOM 593 O ASN A 37 2.905 16.223 -4.103 1.00 0.00 O ATOM 594 CB ASN A 37 4.257 17.657 -6.410 1.00 0.00 C ATOM 595 CG ASN A 37 4.472 18.419 -7.701 1.00 0.00 C ATOM 596 OD1 ASN A 37 4.952 19.549 -7.738 1.00 0.00 O ATOM 597 ND2 ASN A 37 4.079 17.801 -8.789 1.00 0.00 N ATOM 0 H ASN A 37 3.991 19.168 -4.488 1.00 0.00 H new ATOM 0 HA ASN A 37 2.191 18.209 -6.577 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.044 17.917 -5.702 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.343 16.588 -6.603 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.168 18.259 -9.696 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.684 16.863 -8.728 1.00 0.00 H new ATOM 604 N PRO A 38 1.156 16.158 -5.508 1.00 0.00 N ATOM 605 CA PRO A 38 0.560 14.979 -4.873 1.00 0.00 C ATOM 606 C PRO A 38 1.431 13.715 -4.934 1.00 0.00 C ATOM 607 O PRO A 38 1.157 12.755 -4.207 1.00 0.00 O ATOM 608 CB PRO A 38 -0.781 14.772 -5.570 1.00 0.00 C ATOM 609 CG PRO A 38 -0.543 15.371 -6.953 1.00 0.00 C ATOM 610 CD PRO A 38 0.334 16.574 -6.637 1.00 0.00 C ATOM 0 HA PRO A 38 0.451 15.156 -3.803 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.048 13.717 -5.627 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -1.591 15.278 -5.045 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.045 14.668 -7.621 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.476 15.663 -7.436 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.950 16.849 -7.493 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.269 17.446 -6.385 1.00 0.00 H new ATOM 618 N VAL A 39 2.509 13.707 -5.726 1.00 0.00 N ATOM 619 CA VAL A 39 3.551 12.670 -5.656 1.00 0.00 C ATOM 620 C VAL A 39 4.115 12.500 -4.235 1.00 0.00 C ATOM 621 O VAL A 39 4.361 11.378 -3.810 1.00 0.00 O ATOM 622 CB VAL A 39 4.673 12.958 -6.678 1.00 0.00 C ATOM 623 CG1 VAL A 39 5.743 13.949 -6.198 1.00 0.00 C ATOM 624 CG2 VAL A 39 5.357 11.639 -7.041 1.00 0.00 C ATOM 0 H VAL A 39 2.686 14.419 -6.435 1.00 0.00 H new ATOM 0 HA VAL A 39 3.083 11.721 -5.917 1.00 0.00 H new ATOM 0 HB VAL A 39 4.188 13.427 -7.534 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.488 14.088 -6.982 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.275 14.906 -5.968 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.227 13.557 -5.303 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.152 11.828 -7.762 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.781 11.190 -6.143 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.626 10.958 -7.477 1.00 0.00 H new ATOM 634 N GLY A 40 4.253 13.588 -3.462 1.00 0.00 N ATOM 635 CA GLY A 40 4.735 13.537 -2.081 1.00 0.00 C ATOM 636 C GLY A 40 3.704 12.931 -1.127 1.00 0.00 C ATOM 637 O GLY A 40 3.989 11.962 -0.427 1.00 0.00 O ATOM 0 H GLY A 40 4.031 14.531 -3.783 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.653 12.950 -2.041 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.986 14.544 -1.749 1.00 0.00 H new ATOM 641 N TYR A 41 2.469 13.435 -1.168 1.00 0.00 N ATOM 642 CA TYR A 41 1.359 12.961 -0.329 1.00 0.00 C ATOM 643 C TYR A 41 1.012 11.485 -0.587 1.00 0.00 C ATOM 644 O TYR A 41 0.815 10.713 0.350 1.00 0.00 O ATOM 645 CB TYR A 41 0.136 13.862 -0.569 1.00 0.00 C ATOM 646 CG TYR A 41 0.319 15.287 -0.078 1.00 0.00 C ATOM 647 CD1 TYR A 41 0.853 16.280 -0.928 1.00 0.00 C ATOM 648 CD2 TYR A 41 -0.027 15.617 1.247 1.00 0.00 C ATOM 649 CE1 TYR A 41 1.042 17.591 -0.451 1.00 0.00 C ATOM 650 CE2 TYR A 41 0.155 16.929 1.724 1.00 0.00 C ATOM 651 CZ TYR A 41 0.694 17.920 0.876 1.00 0.00 C ATOM 652 OH TYR A 41 0.899 19.184 1.328 1.00 0.00 O ATOM 0 H TYR A 41 2.205 14.196 -1.794 1.00 0.00 H new ATOM 0 HA TYR A 41 1.669 13.021 0.714 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.086 13.881 -1.636 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.729 13.424 -0.071 1.00 0.00 H new ATOM 0 HD1 TYR A 41 1.117 16.033 -1.946 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -0.434 14.860 1.900 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.455 18.347 -1.103 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.118 17.177 2.739 1.00 0.00 H new ATOM 0 HH TYR A 41 0.606 19.249 2.261 1.00 0.00 H new ATOM 662 N SER A 42 1.011 11.050 -1.853 1.00 0.00 N ATOM 663 CA SER A 42 0.797 9.641 -2.215 1.00 0.00 C ATOM 664 C SER A 42 1.966 8.724 -1.833 1.00 0.00 C ATOM 665 O SER A 42 1.758 7.520 -1.649 1.00 0.00 O ATOM 666 CB SER A 42 0.451 9.508 -3.703 1.00 0.00 C ATOM 667 OG SER A 42 1.473 10.022 -4.525 1.00 0.00 O ATOM 0 H SER A 42 1.158 11.663 -2.655 1.00 0.00 H new ATOM 0 HA SER A 42 -0.052 9.300 -1.623 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.283 8.459 -3.945 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.481 10.035 -3.908 1.00 0.00 H new ATOM 0 HG SER A 42 1.447 11.001 -4.505 1.00 0.00 H new ATOM 673 N ASN A 43 3.177 9.263 -1.646 1.00 0.00 N ATOM 674 CA ASN A 43 4.315 8.529 -1.094 1.00 0.00 C ATOM 675 C ASN A 43 4.218 8.411 0.440 1.00 0.00 C ATOM 676 O ASN A 43 4.299 7.303 0.972 1.00 0.00 O ATOM 677 CB ASN A 43 5.613 9.197 -1.578 1.00 0.00 C ATOM 678 CG ASN A 43 6.772 8.226 -1.598 1.00 0.00 C ATOM 679 OD1 ASN A 43 7.657 8.254 -0.770 1.00 0.00 O ATOM 680 ND2 ASN A 43 6.788 7.341 -2.565 1.00 0.00 N ATOM 0 H ASN A 43 3.393 10.233 -1.877 1.00 0.00 H new ATOM 0 HA ASN A 43 4.312 7.501 -1.456 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.462 9.603 -2.578 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.854 10.037 -0.927 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.551 6.666 -2.626 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.038 7.327 -3.256 1.00 0.00 H new ATOM 687 N LYS A 44 3.907 9.509 1.143 1.00 0.00 N ATOM 688 CA LYS A 44 3.654 9.513 2.596 1.00 0.00 C ATOM 689 C LYS A 44 2.505 8.579 2.996 1.00 0.00 C ATOM 690 O LYS A 44 2.653 7.804 3.935 1.00 0.00 O ATOM 691 CB LYS A 44 3.425 10.959 3.064 1.00 0.00 C ATOM 692 CG LYS A 44 3.193 11.053 4.580 1.00 0.00 C ATOM 693 CD LYS A 44 3.249 12.511 5.049 1.00 0.00 C ATOM 694 CE LYS A 44 3.082 12.590 6.570 1.00 0.00 C ATOM 695 NZ LYS A 44 3.314 13.967 7.055 1.00 0.00 N ATOM 0 H LYS A 44 3.822 10.432 0.716 1.00 0.00 H new ATOM 0 HA LYS A 44 4.533 9.115 3.104 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.288 11.567 2.793 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.564 11.376 2.541 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.224 10.622 4.832 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.948 10.468 5.105 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.200 12.957 4.758 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.463 13.087 4.560 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.079 12.267 6.847 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.781 11.907 7.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.195 13.996 8.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.280 14.264 6.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.630 14.612 6.610 1.00 0.00 H new ATOM 709 N ALA A 45 1.411 8.543 2.233 1.00 0.00 N ATOM 710 CA ALA A 45 0.322 7.587 2.458 1.00 0.00 C ATOM 711 C ALA A 45 0.772 6.109 2.357 1.00 0.00 C ATOM 712 O ALA A 45 0.260 5.264 3.091 1.00 0.00 O ATOM 713 CB ALA A 45 -0.814 7.912 1.479 1.00 0.00 C ATOM 0 H ALA A 45 1.254 9.172 1.445 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.029 7.696 3.484 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.636 7.212 1.630 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.167 8.928 1.655 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.448 7.827 0.456 1.00 0.00 H new ATOM 719 N MET A 46 1.765 5.796 1.508 1.00 0.00 N ATOM 720 CA MET A 46 2.381 4.462 1.440 1.00 0.00 C ATOM 721 C MET A 46 3.199 4.165 2.705 1.00 0.00 C ATOM 722 O MET A 46 3.063 3.091 3.285 1.00 0.00 O ATOM 723 CB MET A 46 3.262 4.347 0.181 1.00 0.00 C ATOM 724 CG MET A 46 3.558 2.904 -0.241 1.00 0.00 C ATOM 725 SD MET A 46 2.121 1.976 -0.840 1.00 0.00 S ATOM 726 CE MET A 46 2.974 0.606 -1.672 1.00 0.00 C ATOM 0 H MET A 46 2.164 6.464 0.848 1.00 0.00 H new ATOM 0 HA MET A 46 1.585 3.720 1.378 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.769 4.862 -0.643 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.205 4.863 0.361 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.316 2.918 -1.024 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.987 2.373 0.609 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.238 -0.072 -2.104 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.612 1.001 -2.463 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.585 0.065 -0.949 1.00 0.00 H new ATOM 736 N ALA A 47 3.999 5.131 3.170 1.00 0.00 N ATOM 737 CA ALA A 47 4.793 5.011 4.396 1.00 0.00 C ATOM 738 C ALA A 47 3.924 4.839 5.656 1.00 0.00 C ATOM 739 O ALA A 47 4.279 4.066 6.548 1.00 0.00 O ATOM 740 CB ALA A 47 5.697 6.248 4.501 1.00 0.00 C ATOM 0 H ALA A 47 4.114 6.029 2.699 1.00 0.00 H new ATOM 0 HA ALA A 47 5.397 4.105 4.338 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.299 6.183 5.407 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.353 6.294 3.632 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.081 7.147 4.539 1.00 0.00 H new ATOM 746 N LEU A 48 2.762 5.498 5.720 1.00 0.00 N ATOM 747 CA LEU A 48 1.807 5.345 6.824 1.00 0.00 C ATOM 748 C LEU A 48 1.242 3.914 6.890 1.00 0.00 C ATOM 749 O LEU A 48 1.277 3.303 7.960 1.00 0.00 O ATOM 750 CB LEU A 48 0.694 6.405 6.701 1.00 0.00 C ATOM 751 CG LEU A 48 1.143 7.853 6.991 1.00 0.00 C ATOM 752 CD1 LEU A 48 0.043 8.828 6.565 1.00 0.00 C ATOM 753 CD2 LEU A 48 1.430 8.089 8.476 1.00 0.00 C ATOM 0 H LEU A 48 2.456 6.156 5.004 1.00 0.00 H new ATOM 0 HA LEU A 48 2.330 5.509 7.766 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.281 6.363 5.693 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.113 6.146 7.387 1.00 0.00 H new ATOM 0 HG LEU A 48 2.062 8.017 6.428 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.363 9.850 6.771 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.149 8.716 5.498 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.869 8.614 7.122 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.742 9.122 8.627 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.528 7.894 9.056 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.224 7.419 8.804 1.00 0.00 H new ATOM 765 N ILE A 49 0.803 3.324 5.766 1.00 0.00 N ATOM 766 CA ILE A 49 0.320 1.925 5.776 1.00 0.00 C ATOM 767 C ILE A 49 1.446 0.902 6.008 1.00 0.00 C ATOM 768 O ILE A 49 1.208 -0.136 6.626 1.00 0.00 O ATOM 769 CB ILE A 49 -0.537 1.564 4.538 1.00 0.00 C ATOM 770 CG1 ILE A 49 0.237 1.578 3.202 1.00 0.00 C ATOM 771 CG2 ILE A 49 -1.761 2.492 4.461 1.00 0.00 C ATOM 772 CD1 ILE A 49 -0.545 0.966 2.031 1.00 0.00 C ATOM 0 H ILE A 49 0.771 3.779 4.854 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.344 1.863 6.638 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.853 0.531 4.679 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.499 2.607 2.955 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.172 1.032 3.328 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.360 2.233 3.588 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.363 2.375 5.362 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.428 3.527 4.379 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.061 1.010 1.126 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.784 -0.073 2.257 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.468 1.526 1.878 1.00 0.00 H new ATOM 784 N LYS A 50 2.687 1.199 5.593 1.00 0.00 N ATOM 785 CA LYS A 50 3.864 0.333 5.809 1.00 0.00 C ATOM 786 C LYS A 50 4.483 0.441 7.222 1.00 0.00 C ATOM 787 O LYS A 50 5.430 -0.292 7.514 1.00 0.00 O ATOM 788 CB LYS A 50 4.872 0.513 4.645 1.00 0.00 C ATOM 789 CG LYS A 50 5.252 -0.789 3.919 1.00 0.00 C ATOM 790 CD LYS A 50 4.109 -1.541 3.212 1.00 0.00 C ATOM 791 CE LYS A 50 3.502 -0.807 2.006 1.00 0.00 C ATOM 792 NZ LYS A 50 2.495 -1.671 1.343 1.00 0.00 N ATOM 0 H LYS A 50 2.908 2.059 5.091 1.00 0.00 H new ATOM 0 HA LYS A 50 3.524 -0.702 5.787 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.449 1.208 3.920 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.779 0.974 5.036 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.016 -0.556 3.178 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.707 -1.464 4.644 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.482 -2.510 2.880 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.318 -1.735 3.937 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.037 0.124 2.332 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.287 -0.540 1.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.089 -1.168 0.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.950 -2.547 1.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.739 -1.904 2.018 1.00 0.00 H new ATOM 806 N LEU A 51 3.914 1.280 8.102 1.00 0.00 N ATOM 807 CA LEU A 51 4.240 1.406 9.538 1.00 0.00 C ATOM 808 C LEU A 51 3.002 1.292 10.472 1.00 0.00 C ATOM 809 O LEU A 51 3.082 1.593 11.670 1.00 0.00 O ATOM 810 CB LEU A 51 5.040 2.711 9.774 1.00 0.00 C ATOM 811 CG LEU A 51 6.360 2.539 10.556 1.00 0.00 C ATOM 812 CD1 LEU A 51 7.041 3.903 10.708 1.00 0.00 C ATOM 813 CD2 LEU A 51 6.194 1.949 11.956 1.00 0.00 C ATOM 0 H LEU A 51 3.175 1.924 7.820 1.00 0.00 H new ATOM 0 HA LEU A 51 4.863 0.554 9.810 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.265 3.161 8.807 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.406 3.415 10.313 1.00 0.00 H new ATOM 0 HG LEU A 51 6.954 1.835 9.974 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.973 3.785 11.260 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.253 4.316 9.722 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.382 4.580 11.251 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.170 1.863 12.433 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.555 2.601 12.552 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.738 0.962 11.883 1.00 0.00 H new ATOM 825 N GLY A 52 1.852 0.853 9.950 1.00 0.00 N ATOM 826 CA GLY A 52 0.642 0.562 10.737 1.00 0.00 C ATOM 827 C GLY A 52 -0.213 1.770 11.152 1.00 0.00 C ATOM 828 O GLY A 52 -1.059 1.639 12.041 1.00 0.00 O ATOM 0 H GLY A 52 1.731 0.686 8.951 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.015 -0.118 10.160 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.942 0.030 11.640 1.00 0.00 H new ATOM 832 N GLU A 53 -0.018 2.942 10.535 1.00 0.00 N ATOM 833 CA GLU A 53 -0.809 4.172 10.745 1.00 0.00 C ATOM 834 C GLU A 53 -1.992 4.288 9.759 1.00 0.00 C ATOM 835 O GLU A 53 -2.255 5.342 9.169 1.00 0.00 O ATOM 836 CB GLU A 53 0.104 5.411 10.756 1.00 0.00 C ATOM 837 CG GLU A 53 1.054 5.481 11.957 1.00 0.00 C ATOM 838 CD GLU A 53 0.304 5.478 13.294 1.00 0.00 C ATOM 839 OE1 GLU A 53 -0.581 6.343 13.527 1.00 0.00 O ATOM 840 OE2 GLU A 53 0.593 4.585 14.127 1.00 0.00 O ATOM 0 H GLU A 53 0.724 3.070 9.847 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.271 4.111 11.730 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.694 5.422 9.839 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.517 6.306 10.746 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.739 4.634 11.925 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.661 6.384 11.885 1.00 0.00 H new ATOM 848 N TYR A 54 -2.719 3.182 9.561 1.00 0.00 N ATOM 849 CA TYR A 54 -3.817 3.075 8.594 1.00 0.00 C ATOM 850 C TYR A 54 -4.913 4.138 8.806 1.00 0.00 C ATOM 851 O TYR A 54 -5.406 4.699 7.828 1.00 0.00 O ATOM 852 CB TYR A 54 -4.429 1.665 8.651 1.00 0.00 C ATOM 853 CG TYR A 54 -3.445 0.506 8.706 1.00 0.00 C ATOM 854 CD1 TYR A 54 -2.705 0.148 7.564 1.00 0.00 C ATOM 855 CD2 TYR A 54 -3.325 -0.258 9.883 1.00 0.00 C ATOM 856 CE1 TYR A 54 -1.875 -0.988 7.589 1.00 0.00 C ATOM 857 CE2 TYR A 54 -2.526 -1.419 9.898 1.00 0.00 C ATOM 858 CZ TYR A 54 -1.818 -1.803 8.738 1.00 0.00 C ATOM 859 OH TYR A 54 -1.120 -2.968 8.705 1.00 0.00 O ATOM 0 H TYR A 54 -2.557 2.319 10.079 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.391 3.257 7.608 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -5.075 1.607 9.527 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -5.066 1.532 7.776 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.774 0.746 6.667 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -3.847 0.047 10.778 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.279 -1.237 6.724 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -2.455 -2.015 10.796 1.00 0.00 H new ATOM 0 HH TYR A 54 -1.682 -3.676 8.326 1.00 0.00 H new ATOM 869 N THR A 55 -5.234 4.485 10.060 1.00 0.00 N ATOM 870 CA THR A 55 -6.247 5.500 10.424 1.00 0.00 C ATOM 871 C THR A 55 -5.886 6.897 9.915 1.00 0.00 C ATOM 872 O THR A 55 -6.776 7.675 9.563 1.00 0.00 O ATOM 873 CB THR A 55 -6.422 5.534 11.956 1.00 0.00 C ATOM 874 OG1 THR A 55 -6.764 4.249 12.427 1.00 0.00 O ATOM 875 CG2 THR A 55 -7.529 6.469 12.442 1.00 0.00 C ATOM 0 H THR A 55 -4.789 4.060 10.873 1.00 0.00 H new ATOM 0 HA THR A 55 -7.182 5.212 9.944 1.00 0.00 H new ATOM 0 HB THR A 55 -5.467 5.894 12.338 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.872 4.276 13.401 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.584 6.433 13.530 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.310 7.488 12.124 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.483 6.154 12.019 1.00 0.00 H new ATOM 883 N GLN A 56 -4.590 7.204 9.798 1.00 0.00 N ATOM 884 CA GLN A 56 -4.118 8.478 9.249 1.00 0.00 C ATOM 885 C GLN A 56 -3.984 8.407 7.715 1.00 0.00 C ATOM 886 O GLN A 56 -4.160 9.412 7.023 1.00 0.00 O ATOM 887 CB GLN A 56 -2.800 8.929 9.894 1.00 0.00 C ATOM 888 CG GLN A 56 -2.473 8.381 11.285 1.00 0.00 C ATOM 889 CD GLN A 56 -3.521 8.440 12.387 1.00 0.00 C ATOM 890 OE1 GLN A 56 -4.489 9.196 12.391 1.00 0.00 O ATOM 891 NE2 GLN A 56 -3.320 7.586 13.366 1.00 0.00 N ATOM 0 H GLN A 56 -3.839 6.575 10.082 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.871 9.229 9.491 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -1.986 8.654 9.224 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -2.810 10.017 9.954 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.187 7.336 11.164 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.592 8.913 11.645 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.510 6.967 13.344 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -3.974 7.543 14.147 1.00 0.00 H new ATOM 900 N ALA A 57 -3.703 7.216 7.173 1.00 0.00 N ATOM 901 CA ALA A 57 -3.570 6.975 5.738 1.00 0.00 C ATOM 902 C ALA A 57 -4.910 7.063 4.985 1.00 0.00 C ATOM 903 O ALA A 57 -4.955 7.670 3.913 1.00 0.00 O ATOM 904 CB ALA A 57 -2.910 5.611 5.523 1.00 0.00 C ATOM 0 H ALA A 57 -3.559 6.377 7.735 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.944 7.765 5.322 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.806 5.421 4.455 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.925 5.606 5.990 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.528 4.833 5.971 1.00 0.00 H new ATOM 910 N ILE A 58 -6.006 6.522 5.537 1.00 0.00 N ATOM 911 CA ILE A 58 -7.349 6.629 4.929 1.00 0.00 C ATOM 912 C ILE A 58 -7.805 8.089 4.793 1.00 0.00 C ATOM 913 O ILE A 58 -8.425 8.452 3.792 1.00 0.00 O ATOM 914 CB ILE A 58 -8.402 5.777 5.682 1.00 0.00 C ATOM 915 CG1 ILE A 58 -8.574 6.176 7.168 1.00 0.00 C ATOM 916 CG2 ILE A 58 -8.057 4.284 5.539 1.00 0.00 C ATOM 917 CD1 ILE A 58 -9.706 5.438 7.891 1.00 0.00 C ATOM 0 H ILE A 58 -5.992 6.000 6.413 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.265 6.220 3.922 1.00 0.00 H new ATOM 0 HB ILE A 58 -9.368 5.975 5.218 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.638 5.987 7.694 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.760 7.248 7.225 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.799 3.687 6.069 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.057 4.010 4.484 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.070 4.096 5.962 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -9.758 5.776 8.926 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.653 5.647 7.393 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.513 4.365 7.869 1.00 0.00 H new ATOM 929 N GLN A 59 -7.426 8.945 5.746 1.00 0.00 N ATOM 930 CA GLN A 59 -7.615 10.394 5.655 1.00 0.00 C ATOM 931 C GLN A 59 -6.719 11.009 4.566 1.00 0.00 C ATOM 932 O GLN A 59 -7.221 11.686 3.668 1.00 0.00 O ATOM 933 CB GLN A 59 -7.415 11.001 7.049 1.00 0.00 C ATOM 934 CG GLN A 59 -7.592 12.526 7.099 1.00 0.00 C ATOM 935 CD GLN A 59 -6.390 13.319 6.587 1.00 0.00 C ATOM 936 OE1 GLN A 59 -5.238 12.926 6.721 1.00 0.00 O ATOM 937 NE2 GLN A 59 -6.605 14.451 5.965 1.00 0.00 N ATOM 0 H GLN A 59 -6.975 8.648 6.611 1.00 0.00 H new ATOM 0 HA GLN A 59 -8.631 10.628 5.337 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -8.122 10.541 7.739 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -6.415 10.750 7.403 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -8.468 12.797 6.510 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.795 12.822 8.128 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -7.558 14.794 5.844 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -5.819 14.990 5.601 1.00 0.00 H new ATOM 946 N MET A 60 -5.409 10.726 4.581 1.00 0.00 N ATOM 947 CA MET A 60 -4.464 11.336 3.633 1.00 0.00 C ATOM 948 C MET A 60 -4.740 10.949 2.173 1.00 0.00 C ATOM 949 O MET A 60 -4.507 11.751 1.269 1.00 0.00 O ATOM 950 CB MET A 60 -3.019 11.038 4.055 1.00 0.00 C ATOM 951 CG MET A 60 -2.014 11.743 3.130 1.00 0.00 C ATOM 952 SD MET A 60 -0.334 11.892 3.784 1.00 0.00 S ATOM 953 CE MET A 60 -0.584 13.321 4.879 1.00 0.00 C ATOM 0 H MET A 60 -4.978 10.078 5.240 1.00 0.00 H new ATOM 0 HA MET A 60 -4.614 12.415 3.672 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.863 11.365 5.083 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.845 9.962 4.033 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.972 11.200 2.186 1.00 0.00 H new ATOM 0 HG3 MET A 60 -2.389 12.742 2.907 1.00 0.00 H new ATOM 0 HE1 MET A 60 0.340 13.533 5.417 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.865 14.190 4.284 1.00 0.00 H new ATOM 0 HE3 MET A 60 -1.377 13.098 5.593 1.00 0.00 H new ATOM 963 N CYS A 61 -5.301 9.763 1.915 1.00 0.00 N ATOM 964 CA CYS A 61 -5.707 9.380 0.563 1.00 0.00 C ATOM 965 C CYS A 61 -6.870 10.242 0.045 1.00 0.00 C ATOM 966 O CYS A 61 -6.798 10.738 -1.078 1.00 0.00 O ATOM 967 CB CYS A 61 -6.014 7.878 0.507 1.00 0.00 C ATOM 968 SG CYS A 61 -4.512 6.934 0.882 1.00 0.00 S ATOM 0 H CYS A 61 -5.483 9.054 2.625 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.874 9.572 -0.113 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.799 7.630 1.222 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.387 7.610 -0.482 1.00 0.00 H new ATOM 0 HG CYS A 61 -4.272 6.989 2.159 1.00 0.00 H new ATOM 974 N GLN A 62 -7.889 10.506 0.867 1.00 0.00 N ATOM 975 CA GLN A 62 -9.005 11.395 0.506 1.00 0.00 C ATOM 976 C GLN A 62 -8.545 12.857 0.380 1.00 0.00 C ATOM 977 O GLN A 62 -8.932 13.539 -0.569 1.00 0.00 O ATOM 978 CB GLN A 62 -10.148 11.216 1.525 1.00 0.00 C ATOM 979 CG GLN A 62 -10.794 9.821 1.421 1.00 0.00 C ATOM 980 CD GLN A 62 -11.753 9.524 2.572 1.00 0.00 C ATOM 981 OE1 GLN A 62 -12.965 9.678 2.463 1.00 0.00 O ATOM 982 NE2 GLN A 62 -11.247 9.067 3.696 1.00 0.00 N ATOM 0 H GLN A 62 -7.967 10.110 1.804 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.383 11.120 -0.479 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.762 11.364 2.534 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.906 11.981 1.359 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.333 9.745 0.477 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.010 9.064 1.403 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.239 8.939 3.787 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.862 8.840 4.477 1.00 0.00 H new ATOM 991 N GLN A 63 -7.617 13.311 1.229 1.00 0.00 N ATOM 992 CA GLN A 63 -6.933 14.596 1.053 1.00 0.00 C ATOM 993 C GLN A 63 -6.118 14.666 -0.253 1.00 0.00 C ATOM 994 O GLN A 63 -6.009 15.738 -0.849 1.00 0.00 O ATOM 995 CB GLN A 63 -6.085 14.879 2.305 1.00 0.00 C ATOM 996 CG GLN A 63 -5.239 16.164 2.252 1.00 0.00 C ATOM 997 CD GLN A 63 -3.784 15.898 1.864 1.00 0.00 C ATOM 998 OE1 GLN A 63 -2.916 15.735 2.708 1.00 0.00 O ATOM 999 NE2 GLN A 63 -3.454 15.814 0.592 1.00 0.00 N ATOM 0 H GLN A 63 -7.319 12.797 2.058 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.680 15.383 0.948 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.749 14.937 3.168 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.419 14.032 2.471 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -5.681 16.856 1.535 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.267 16.653 3.226 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.163 15.947 -0.129 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.489 15.616 0.327 1.00 0.00 H new ATOM 1008 N GLY A 64 -5.540 13.562 -0.733 1.00 0.00 N ATOM 1009 CA GLY A 64 -4.821 13.530 -2.011 1.00 0.00 C ATOM 1010 C GLY A 64 -5.727 13.469 -3.246 1.00 0.00 C ATOM 1011 O GLY A 64 -5.326 13.949 -4.304 1.00 0.00 O ATOM 0 H GLY A 64 -5.557 12.665 -0.248 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.190 14.416 -2.081 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.157 12.665 -2.019 1.00 0.00 H new ATOM 1015 N LEU A 65 -6.971 12.988 -3.128 1.00 0.00 N ATOM 1016 CA LEU A 65 -7.955 13.057 -4.221 1.00 0.00 C ATOM 1017 C LEU A 65 -8.379 14.499 -4.557 1.00 0.00 C ATOM 1018 O LEU A 65 -8.788 14.756 -5.690 1.00 0.00 O ATOM 1019 CB LEU A 65 -9.167 12.157 -3.918 1.00 0.00 C ATOM 1020 CG LEU A 65 -8.857 10.648 -3.927 1.00 0.00 C ATOM 1021 CD1 LEU A 65 -10.106 9.865 -3.521 1.00 0.00 C ATOM 1022 CD2 LEU A 65 -8.389 10.141 -5.295 1.00 0.00 C ATOM 0 H LEU A 65 -7.324 12.543 -2.281 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.465 12.678 -5.118 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.570 12.427 -2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.947 12.360 -4.652 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.044 10.492 -3.218 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.885 8.798 -3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.414 10.165 -2.519 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.911 10.073 -4.226 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.186 9.072 -5.237 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.167 10.323 -6.036 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.480 10.667 -5.586 1.00 0.00 H new ATOM 1034 N ARG A 66 -8.178 15.450 -3.634 1.00 0.00 N ATOM 1035 CA ARG A 66 -8.309 16.914 -3.859 1.00 0.00 C ATOM 1036 C ARG A 66 -7.271 17.509 -4.833 1.00 0.00 C ATOM 1037 O ARG A 66 -7.324 18.704 -5.141 1.00 0.00 O ATOM 1038 CB ARG A 66 -8.228 17.676 -2.521 1.00 0.00 C ATOM 1039 CG ARG A 66 -9.090 17.080 -1.399 1.00 0.00 C ATOM 1040 CD ARG A 66 -8.998 17.935 -0.130 1.00 0.00 C ATOM 1041 NE ARG A 66 -9.624 17.237 1.002 1.00 0.00 N ATOM 1042 CZ ARG A 66 -9.225 17.233 2.258 1.00 0.00 C ATOM 1043 NH1 ARG A 66 -8.294 18.019 2.714 1.00 0.00 N ATOM 1044 NH2 ARG A 66 -9.766 16.374 3.064 1.00 0.00 N ATOM 0 H ARG A 66 -7.911 15.224 -2.676 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.286 17.040 -4.325 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.189 17.698 -2.192 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.532 18.710 -2.686 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -10.128 17.017 -1.726 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.762 16.063 -1.183 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.954 18.148 0.098 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.491 18.893 -0.293 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.462 16.695 0.792 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.834 18.681 2.089 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.024 17.973 3.697 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -10.477 15.729 2.719 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.481 16.343 4.043 1.00 0.00 H new ATOM 1058 N TYR A 67 -6.311 16.697 -5.279 1.00 0.00 N ATOM 1059 CA TYR A 67 -5.214 17.046 -6.185 1.00 0.00 C ATOM 1060 C TYR A 67 -5.241 16.151 -7.444 1.00 0.00 C ATOM 1061 O TYR A 67 -4.237 15.509 -7.769 1.00 0.00 O ATOM 1062 CB TYR A 67 -3.881 16.933 -5.420 1.00 0.00 C ATOM 1063 CG TYR A 67 -3.632 17.950 -4.320 1.00 0.00 C ATOM 1064 CD1 TYR A 67 -3.079 19.199 -4.658 1.00 0.00 C ATOM 1065 CD2 TYR A 67 -3.874 17.633 -2.967 1.00 0.00 C ATOM 1066 CE1 TYR A 67 -2.775 20.135 -3.654 1.00 0.00 C ATOM 1067 CE2 TYR A 67 -3.568 18.570 -1.954 1.00 0.00 C ATOM 1068 CZ TYR A 67 -3.018 19.826 -2.300 1.00 0.00 C ATOM 1069 OH TYR A 67 -2.738 20.767 -1.357 1.00 0.00 O ATOM 0 H TYR A 67 -6.276 15.717 -5.000 1.00 0.00 H new ATOM 0 HA TYR A 67 -5.328 18.073 -6.531 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.826 15.937 -4.980 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.068 17.008 -6.142 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.887 19.440 -5.693 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.294 16.673 -2.705 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.354 21.093 -3.921 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.754 18.327 -0.918 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.957 20.415 -0.469 1.00 0.00 H new ATOM 1079 N THR A 68 -6.399 16.027 -8.114 1.00 0.00 N ATOM 1080 CA THR A 68 -6.583 15.100 -9.253 1.00 0.00 C ATOM 1081 C THR A 68 -7.332 15.640 -10.477 1.00 0.00 C ATOM 1082 O THR A 68 -7.555 14.882 -11.421 1.00 0.00 O ATOM 1083 CB THR A 68 -7.245 13.780 -8.816 1.00 0.00 C ATOM 1084 OG1 THR A 68 -8.568 13.980 -8.370 1.00 0.00 O ATOM 1085 CG2 THR A 68 -6.475 13.038 -7.727 1.00 0.00 C ATOM 0 H THR A 68 -7.235 16.564 -7.885 1.00 0.00 H new ATOM 0 HA THR A 68 -5.556 14.943 -9.583 1.00 0.00 H new ATOM 0 HB THR A 68 -7.241 13.163 -9.714 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.559 14.247 -7.427 1.00 0.00 H new ATOM 0 HG21 THR A 68 -7.002 12.119 -7.471 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.476 12.795 -8.089 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.397 13.670 -6.842 1.00 0.00 H new ATOM 1093 N SER A 69 -7.710 16.918 -10.518 1.00 0.00 N ATOM 1094 CA SER A 69 -8.696 17.428 -11.489 1.00 0.00 C ATOM 1095 C SER A 69 -8.245 17.413 -12.955 1.00 0.00 C ATOM 1096 O SER A 69 -9.087 17.302 -13.849 1.00 0.00 O ATOM 1097 CB SER A 69 -9.074 18.871 -11.149 1.00 0.00 C ATOM 1098 OG SER A 69 -9.466 18.992 -9.799 1.00 0.00 O ATOM 0 H SER A 69 -7.347 17.631 -9.885 1.00 0.00 H new ATOM 0 HA SER A 69 -9.536 16.739 -11.401 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.226 19.527 -11.344 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.887 19.199 -11.797 1.00 0.00 H new ATOM 0 HG SER A 69 -9.700 19.924 -9.609 1.00 0.00 H new ATOM 1104 N THR A 70 -6.942 17.554 -13.218 1.00 0.00 N ATOM 1105 CA THR A 70 -6.365 17.778 -14.560 1.00 0.00 C ATOM 1106 C THR A 70 -5.519 16.592 -15.046 1.00 0.00 C ATOM 1107 O THR A 70 -5.185 15.690 -14.271 1.00 0.00 O ATOM 1108 CB THR A 70 -5.563 19.094 -14.598 1.00 0.00 C ATOM 1109 OG1 THR A 70 -4.623 19.156 -13.554 1.00 0.00 O ATOM 1110 CG2 THR A 70 -6.453 20.318 -14.401 1.00 0.00 C ATOM 0 H THR A 70 -6.233 17.515 -12.485 1.00 0.00 H new ATOM 0 HA THR A 70 -7.200 17.864 -15.255 1.00 0.00 H new ATOM 0 HB THR A 70 -5.087 19.102 -15.579 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.130 20.001 -13.607 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.843 21.221 -14.436 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.201 20.355 -15.193 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.951 20.254 -13.434 1.00 0.00 H new ATOM 1118 N ALA A 71 -5.184 16.559 -16.339 1.00 0.00 N ATOM 1119 CA ALA A 71 -4.507 15.427 -16.981 1.00 0.00 C ATOM 1120 C ALA A 71 -3.156 15.030 -16.340 1.00 0.00 C ATOM 1121 O ALA A 71 -2.825 13.845 -16.304 1.00 0.00 O ATOM 1122 CB ALA A 71 -4.351 15.737 -18.475 1.00 0.00 C ATOM 0 H ALA A 71 -5.378 17.329 -16.979 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.135 14.549 -16.832 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -3.849 14.905 -18.969 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.335 15.883 -18.921 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.758 16.643 -18.599 1.00 0.00 H new ATOM 1128 N GLU A 72 -2.390 15.957 -15.755 1.00 0.00 N ATOM 1129 CA GLU A 72 -1.123 15.662 -15.043 1.00 0.00 C ATOM 1130 C GLU A 72 -1.269 14.973 -13.662 1.00 0.00 C ATOM 1131 O GLU A 72 -0.324 14.935 -12.862 1.00 0.00 O ATOM 1132 CB GLU A 72 -0.223 16.907 -15.006 1.00 0.00 C ATOM 1133 CG GLU A 72 -0.787 18.084 -14.210 1.00 0.00 C ATOM 1134 CD GLU A 72 0.111 19.304 -14.405 1.00 0.00 C ATOM 1135 OE1 GLU A 72 1.263 19.279 -13.904 1.00 0.00 O ATOM 1136 OE2 GLU A 72 -0.318 20.286 -15.059 1.00 0.00 O ATOM 0 H GLU A 72 -2.628 16.949 -15.758 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.628 14.892 -15.636 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.741 16.628 -14.581 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.038 17.234 -16.029 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.801 18.308 -14.541 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.846 17.827 -13.152 1.00 0.00 H new ATOM 1144 N HIS A 73 -2.447 14.405 -13.378 1.00 0.00 N ATOM 1145 CA HIS A 73 -2.764 13.671 -12.148 1.00 0.00 C ATOM 1146 C HIS A 73 -3.480 12.323 -12.399 1.00 0.00 C ATOM 1147 O HIS A 73 -3.968 11.707 -11.451 1.00 0.00 O ATOM 1148 CB HIS A 73 -3.598 14.556 -11.207 1.00 0.00 C ATOM 1149 CG HIS A 73 -3.082 15.951 -10.969 1.00 0.00 C ATOM 1150 ND1 HIS A 73 -2.508 16.423 -9.816 1.00 0.00 N ATOM 1151 CD2 HIS A 73 -3.212 17.018 -11.808 1.00 0.00 C ATOM 1152 CE1 HIS A 73 -2.255 17.730 -9.978 1.00 0.00 C ATOM 1153 NE2 HIS A 73 -2.668 18.147 -11.183 1.00 0.00 N ATOM 0 H HIS A 73 -3.236 14.446 -14.024 1.00 0.00 H new ATOM 0 HA HIS A 73 -1.812 13.424 -11.679 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -4.607 14.629 -11.612 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -3.677 14.052 -10.244 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.660 16.996 -12.791 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -1.783 18.360 -9.239 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -2.600 19.090 -11.565 1.00 0.00 H new ATOM 1162 N VAL A 74 -3.567 11.835 -13.645 1.00 0.00 N ATOM 1163 CA VAL A 74 -4.344 10.619 -13.970 1.00 0.00 C ATOM 1164 C VAL A 74 -3.814 9.340 -13.307 1.00 0.00 C ATOM 1165 O VAL A 74 -4.607 8.455 -12.967 1.00 0.00 O ATOM 1166 CB VAL A 74 -4.477 10.403 -15.490 1.00 0.00 C ATOM 1167 CG1 VAL A 74 -5.342 11.492 -16.127 1.00 0.00 C ATOM 1168 CG2 VAL A 74 -3.131 10.310 -16.221 1.00 0.00 C ATOM 0 H VAL A 74 -3.109 12.262 -14.450 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.331 10.809 -13.549 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.964 9.435 -15.604 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.419 11.315 -17.200 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.338 11.472 -15.684 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.887 12.467 -15.952 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.305 10.158 -17.286 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.572 11.234 -16.073 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.558 9.472 -15.824 1.00 0.00 H new ATOM 1178 N ALA A 75 -2.505 9.241 -13.057 1.00 0.00 N ATOM 1179 CA ALA A 75 -1.911 8.134 -12.297 1.00 0.00 C ATOM 1180 C ALA A 75 -2.021 8.376 -10.782 1.00 0.00 C ATOM 1181 O ALA A 75 -2.329 7.456 -10.027 1.00 0.00 O ATOM 1182 CB ALA A 75 -0.462 7.925 -12.754 1.00 0.00 C ATOM 0 H ALA A 75 -1.823 9.929 -13.377 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.465 7.217 -12.497 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.018 7.104 -12.192 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.447 7.687 -13.817 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.110 8.836 -12.578 1.00 0.00 H new ATOM 1188 N ILE A 76 -1.868 9.629 -10.335 1.00 0.00 N ATOM 1189 CA ILE A 76 -2.105 10.050 -8.941 1.00 0.00 C ATOM 1190 C ILE A 76 -3.524 9.674 -8.477 1.00 0.00 C ATOM 1191 O ILE A 76 -3.691 9.137 -7.380 1.00 0.00 O ATOM 1192 CB ILE A 76 -1.859 11.573 -8.811 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -0.392 11.981 -9.082 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -2.341 12.144 -7.471 1.00 0.00 C ATOM 1195 CD1 ILE A 76 0.657 11.438 -8.100 1.00 0.00 C ATOM 0 H ILE A 76 -1.571 10.395 -10.940 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.406 9.523 -8.292 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.468 12.018 -9.598 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.125 11.651 -10.086 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.333 13.069 -9.078 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.142 13.215 -7.439 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.412 11.971 -7.366 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.812 11.652 -6.655 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.646 11.791 -8.392 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.429 11.789 -7.094 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.641 10.348 -8.116 1.00 0.00 H new ATOM 1207 N ARG A 77 -4.543 9.904 -9.318 1.00 0.00 N ATOM 1208 CA ARG A 77 -5.948 9.590 -9.016 1.00 0.00 C ATOM 1209 C ARG A 77 -6.160 8.093 -8.753 1.00 0.00 C ATOM 1210 O ARG A 77 -6.845 7.749 -7.789 1.00 0.00 O ATOM 1211 CB ARG A 77 -6.840 10.142 -10.146 1.00 0.00 C ATOM 1212 CG ARG A 77 -8.320 10.181 -9.739 1.00 0.00 C ATOM 1213 CD ARG A 77 -9.237 10.846 -10.780 1.00 0.00 C ATOM 1214 NE ARG A 77 -9.631 9.923 -11.860 1.00 0.00 N ATOM 1215 CZ ARG A 77 -10.547 8.977 -11.808 1.00 0.00 C ATOM 1216 NH1 ARG A 77 -11.273 8.732 -10.759 1.00 0.00 N ATOM 1217 NH2 ARG A 77 -10.770 8.231 -12.842 1.00 0.00 N ATOM 0 H ARG A 77 -4.413 10.319 -10.240 1.00 0.00 H new ATOM 0 HA ARG A 77 -6.237 10.080 -8.086 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -6.510 11.146 -10.412 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.724 9.523 -11.035 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -8.665 9.162 -9.564 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.412 10.716 -8.794 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -10.132 11.222 -10.284 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -8.727 11.707 -11.211 1.00 0.00 H new ATOM 0 HE ARG A 77 -9.139 10.029 -12.747 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -11.149 9.287 -9.912 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -11.967 7.984 -10.782 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -10.236 8.375 -13.699 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -11.479 7.499 -12.800 1.00 0.00 H new ATOM 1231 N SER A 78 -5.499 7.227 -9.526 1.00 0.00 N ATOM 1232 CA SER A 78 -5.435 5.783 -9.273 1.00 0.00 C ATOM 1233 C SER A 78 -4.659 5.441 -7.999 1.00 0.00 C ATOM 1234 O SER A 78 -5.174 4.681 -7.176 1.00 0.00 O ATOM 1235 CB SER A 78 -4.810 5.060 -10.468 1.00 0.00 C ATOM 1236 OG SER A 78 -5.752 4.953 -11.517 1.00 0.00 O ATOM 0 H SER A 78 -4.985 7.513 -10.359 1.00 0.00 H new ATOM 0 HA SER A 78 -6.461 5.444 -9.131 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.930 5.604 -10.813 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.474 4.068 -10.168 1.00 0.00 H new ATOM 0 HG SER A 78 -5.343 4.491 -12.278 1.00 0.00 H new ATOM 1242 N LYS A 79 -3.471 6.034 -7.775 1.00 0.00 N ATOM 1243 CA LYS A 79 -2.672 5.802 -6.557 1.00 0.00 C ATOM 1244 C LYS A 79 -3.507 6.012 -5.294 1.00 0.00 C ATOM 1245 O LYS A 79 -3.632 5.076 -4.512 1.00 0.00 O ATOM 1246 CB LYS A 79 -1.385 6.651 -6.513 1.00 0.00 C ATOM 1247 CG LYS A 79 -0.291 6.145 -7.464 1.00 0.00 C ATOM 1248 CD LYS A 79 1.035 6.892 -7.227 1.00 0.00 C ATOM 1249 CE LYS A 79 2.096 6.586 -8.289 1.00 0.00 C ATOM 1250 NZ LYS A 79 2.547 5.175 -8.263 1.00 0.00 N ATOM 0 H LYS A 79 -3.039 6.685 -8.431 1.00 0.00 H new ATOM 0 HA LYS A 79 -2.359 4.759 -6.593 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.629 7.682 -6.767 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.997 6.657 -5.494 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.142 5.076 -7.316 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.610 6.282 -8.497 1.00 0.00 H new ATOM 0 HD2 LYS A 79 0.843 7.965 -7.213 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.425 6.625 -6.245 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.692 6.815 -9.275 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.955 7.240 -8.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.264 5.026 -9.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.959 4.959 -7.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.736 4.548 -8.436 1.00 0.00 H new ATOM 1264 N LEU A 80 -4.111 7.188 -5.083 1.00 0.00 N ATOM 1265 CA LEU A 80 -4.833 7.446 -3.826 1.00 0.00 C ATOM 1266 C LEU A 80 -6.101 6.586 -3.656 1.00 0.00 C ATOM 1267 O LEU A 80 -6.439 6.250 -2.523 1.00 0.00 O ATOM 1268 CB LEU A 80 -5.121 8.950 -3.619 1.00 0.00 C ATOM 1269 CG LEU A 80 -3.938 9.869 -3.241 1.00 0.00 C ATOM 1270 CD1 LEU A 80 -2.913 9.232 -2.296 1.00 0.00 C ATOM 1271 CD2 LEU A 80 -3.180 10.371 -4.468 1.00 0.00 C ATOM 0 H LEU A 80 -4.117 7.961 -5.748 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.156 7.133 -3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.563 9.335 -4.538 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.877 9.041 -2.839 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.422 10.694 -2.718 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.119 9.948 -2.085 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.403 8.949 -1.365 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.487 8.345 -2.766 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.358 11.013 -4.151 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.783 9.521 -5.023 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.857 10.938 -5.107 1.00 0.00 H new ATOM 1283 N GLN A 81 -6.765 6.159 -4.735 1.00 0.00 N ATOM 1284 CA GLN A 81 -7.914 5.249 -4.626 1.00 0.00 C ATOM 1285 C GLN A 81 -7.503 3.810 -4.294 1.00 0.00 C ATOM 1286 O GLN A 81 -8.067 3.231 -3.360 1.00 0.00 O ATOM 1287 CB GLN A 81 -8.802 5.355 -5.877 1.00 0.00 C ATOM 1288 CG GLN A 81 -9.858 6.444 -5.634 1.00 0.00 C ATOM 1289 CD GLN A 81 -10.458 7.029 -6.902 1.00 0.00 C ATOM 1290 OE1 GLN A 81 -11.625 6.862 -7.227 1.00 0.00 O ATOM 1291 NE2 GLN A 81 -9.704 7.786 -7.657 1.00 0.00 N ATOM 0 H GLN A 81 -6.529 6.426 -5.691 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.514 5.567 -3.774 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.198 5.601 -6.750 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -9.284 4.399 -6.082 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.660 6.026 -5.026 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.406 7.249 -5.055 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -8.727 7.942 -7.409 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -10.093 8.220 -8.494 1.00 0.00 H new ATOM 1300 N TYR A 82 -6.491 3.234 -4.952 1.00 0.00 N ATOM 1301 CA TYR A 82 -6.051 1.881 -4.588 1.00 0.00 C ATOM 1302 C TYR A 82 -5.371 1.857 -3.204 1.00 0.00 C ATOM 1303 O TYR A 82 -5.578 0.905 -2.454 1.00 0.00 O ATOM 1304 CB TYR A 82 -5.224 1.230 -5.711 1.00 0.00 C ATOM 1305 CG TYR A 82 -3.736 1.115 -5.446 1.00 0.00 C ATOM 1306 CD1 TYR A 82 -3.256 0.124 -4.567 1.00 0.00 C ATOM 1307 CD2 TYR A 82 -2.839 1.991 -6.080 1.00 0.00 C ATOM 1308 CE1 TYR A 82 -1.880 0.026 -4.295 1.00 0.00 C ATOM 1309 CE2 TYR A 82 -1.459 1.881 -5.834 1.00 0.00 C ATOM 1310 CZ TYR A 82 -0.980 0.894 -4.944 1.00 0.00 C ATOM 1311 OH TYR A 82 0.350 0.781 -4.702 1.00 0.00 O ATOM 0 H TYR A 82 -5.974 3.667 -5.717 1.00 0.00 H new ATOM 0 HA TYR A 82 -6.935 1.252 -4.484 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.620 0.232 -5.897 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.369 1.806 -6.625 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.947 -0.562 -4.101 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.209 2.748 -6.756 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -1.516 -0.710 -3.593 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -0.767 2.550 -6.324 1.00 0.00 H new ATOM 0 HH TYR A 82 0.836 1.451 -5.227 1.00 0.00 H new ATOM 1321 N ARG A 83 -4.655 2.924 -2.800 1.00 0.00 N ATOM 1322 CA ARG A 83 -4.128 3.078 -1.425 1.00 0.00 C ATOM 1323 C ARG A 83 -5.233 2.976 -0.371 1.00 0.00 C ATOM 1324 O ARG A 83 -4.990 2.396 0.681 1.00 0.00 O ATOM 1325 CB ARG A 83 -3.432 4.437 -1.233 1.00 0.00 C ATOM 1326 CG ARG A 83 -2.130 4.676 -2.007 1.00 0.00 C ATOM 1327 CD ARG A 83 -0.840 4.368 -1.237 1.00 0.00 C ATOM 1328 NE ARG A 83 0.321 5.000 -1.898 1.00 0.00 N ATOM 1329 CZ ARG A 83 0.902 4.648 -3.033 1.00 0.00 C ATOM 1330 NH1 ARG A 83 0.536 3.622 -3.736 1.00 0.00 N ATOM 1331 NH2 ARG A 83 1.883 5.358 -3.494 1.00 0.00 N ATOM 0 H ARG A 83 -4.424 3.704 -3.415 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.414 2.265 -1.293 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.138 5.220 -1.511 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.221 4.561 -0.171 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -2.148 4.067 -2.911 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.103 5.718 -2.325 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.925 4.732 -0.213 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.692 3.290 -1.181 1.00 0.00 H new ATOM 0 HE ARG A 83 0.724 5.806 -1.420 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.238 3.038 -3.421 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.022 3.399 -4.604 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.201 6.181 -2.982 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.337 5.094 -4.368 1.00 0.00 H new ATOM 1345 N LEU A 84 -6.435 3.496 -0.636 1.00 0.00 N ATOM 1346 CA LEU A 84 -7.567 3.414 0.294 1.00 0.00 C ATOM 1347 C LEU A 84 -8.109 1.979 0.414 1.00 0.00 C ATOM 1348 O LEU A 84 -8.309 1.497 1.531 1.00 0.00 O ATOM 1349 CB LEU A 84 -8.633 4.438 -0.140 1.00 0.00 C ATOM 1350 CG LEU A 84 -9.874 4.552 0.767 1.00 0.00 C ATOM 1351 CD1 LEU A 84 -9.536 4.701 2.252 1.00 0.00 C ATOM 1352 CD2 LEU A 84 -10.672 5.793 0.375 1.00 0.00 C ATOM 0 H LEU A 84 -6.652 3.987 -1.503 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.239 3.669 1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.162 5.419 -0.201 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.966 4.181 -1.146 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.431 3.626 0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -10.458 4.776 2.829 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.969 3.832 2.585 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.941 5.602 2.401 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -11.551 5.877 1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -10.049 6.679 0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -10.987 5.710 -0.665 1.00 0.00 H new ATOM 1364 N GLU A 85 -8.266 1.271 -0.707 1.00 0.00 N ATOM 1365 CA GLU A 85 -8.626 -0.164 -0.737 1.00 0.00 C ATOM 1366 C GLU A 85 -7.551 -1.067 -0.104 1.00 0.00 C ATOM 1367 O GLU A 85 -7.893 -2.096 0.485 1.00 0.00 O ATOM 1368 CB GLU A 85 -8.890 -0.617 -2.188 1.00 0.00 C ATOM 1369 CG GLU A 85 -10.297 -0.267 -2.703 1.00 0.00 C ATOM 1370 CD GLU A 85 -11.427 -1.210 -2.248 1.00 0.00 C ATOM 1371 OE1 GLU A 85 -11.179 -2.279 -1.633 1.00 0.00 O ATOM 1372 OE2 GLU A 85 -12.609 -0.884 -2.532 1.00 0.00 O ATOM 0 H GLU A 85 -8.147 1.676 -1.636 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.531 -0.269 -0.139 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.149 -0.157 -2.842 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.748 -1.696 -2.253 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -10.541 0.745 -2.380 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.273 -0.257 -3.793 1.00 0.00 H new ATOM 1380 N LEU A 86 -6.270 -0.685 -0.167 1.00 0.00 N ATOM 1381 CA LEU A 86 -5.165 -1.426 0.454 1.00 0.00 C ATOM 1382 C LEU A 86 -4.857 -1.004 1.895 1.00 0.00 C ATOM 1383 O LEU A 86 -4.325 -1.824 2.632 1.00 0.00 O ATOM 1384 CB LEU A 86 -3.915 -1.389 -0.448 1.00 0.00 C ATOM 1385 CG LEU A 86 -3.735 -2.630 -1.343 1.00 0.00 C ATOM 1386 CD1 LEU A 86 -3.328 -3.866 -0.538 1.00 0.00 C ATOM 1387 CD2 LEU A 86 -4.970 -2.965 -2.186 1.00 0.00 C ATOM 0 H LEU A 86 -5.968 0.157 -0.656 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.498 -2.460 0.541 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.966 -0.504 -1.082 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.032 -1.279 0.181 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.930 -2.359 -2.026 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.213 -4.716 -1.210 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.383 -3.674 -0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.098 -4.089 0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.769 -3.850 -2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.817 -3.159 -1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.203 -2.125 -2.840 1.00 0.00 H new ATOM 1399 N ALA A 87 -5.254 0.184 2.359 1.00 0.00 N ATOM 1400 CA ALA A 87 -5.204 0.525 3.783 1.00 0.00 C ATOM 1401 C ALA A 87 -6.175 -0.364 4.580 1.00 0.00 C ATOM 1402 O ALA A 87 -5.771 -1.019 5.539 1.00 0.00 O ATOM 1403 CB ALA A 87 -5.512 2.017 3.965 1.00 0.00 C ATOM 0 H ALA A 87 -5.616 0.930 1.765 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.203 0.338 4.171 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.475 2.270 5.025 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.774 2.609 3.424 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -6.507 2.233 3.575 1.00 0.00 H new ATOM 1409 N GLN A 88 -7.425 -0.479 4.106 1.00 0.00 N ATOM 1410 CA GLN A 88 -8.412 -1.426 4.653 1.00 0.00 C ATOM 1411 C GLN A 88 -8.069 -2.903 4.345 1.00 0.00 C ATOM 1412 O GLN A 88 -8.556 -3.809 5.020 1.00 0.00 O ATOM 1413 CB GLN A 88 -9.831 -1.016 4.221 1.00 0.00 C ATOM 1414 CG GLN A 88 -10.090 -1.097 2.712 1.00 0.00 C ATOM 1415 CD GLN A 88 -11.275 -0.253 2.292 1.00 0.00 C ATOM 1416 OE1 GLN A 88 -12.390 -0.730 2.139 1.00 0.00 O ATOM 1417 NE2 GLN A 88 -11.078 1.021 2.067 1.00 0.00 N ATOM 0 H GLN A 88 -7.781 0.082 3.332 1.00 0.00 H new ATOM 0 HA GLN A 88 -8.373 -1.368 5.741 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.551 -1.654 4.734 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.016 0.005 4.553 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -9.201 -0.767 2.174 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.266 -2.135 2.430 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -10.149 1.424 2.193 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -11.853 1.611 1.765 1.00 0.00 H new ATOM 1426 N GLY A 89 -7.174 -3.140 3.376 1.00 0.00 N ATOM 1427 CA GLY A 89 -6.573 -4.440 3.069 1.00 0.00 C ATOM 1428 C GLY A 89 -5.511 -4.873 4.083 1.00 0.00 C ATOM 1429 O GLY A 89 -5.596 -5.965 4.645 1.00 0.00 O ATOM 0 H GLY A 89 -6.837 -2.399 2.761 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.358 -5.195 3.031 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.123 -4.399 2.077 1.00 0.00 H new ATOM 1433 N ALA A 90 -4.537 -4.001 4.346 1.00 0.00 N ATOM 1434 CA ALA A 90 -3.375 -4.255 5.191 1.00 0.00 C ATOM 1435 C ALA A 90 -3.733 -4.289 6.688 1.00 0.00 C ATOM 1436 O ALA A 90 -3.196 -5.128 7.414 1.00 0.00 O ATOM 1437 CB ALA A 90 -2.334 -3.176 4.880 1.00 0.00 C ATOM 0 H ALA A 90 -4.539 -3.058 3.958 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.972 -5.244 4.972 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -1.449 -3.336 5.496 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.058 -3.230 3.827 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.753 -2.193 5.095 1.00 0.00 H new ATOM 1443 N VAL A 91 -4.674 -3.441 7.134 1.00 0.00 N ATOM 1444 CA VAL A 91 -5.189 -3.454 8.520 1.00 0.00 C ATOM 1445 C VAL A 91 -5.945 -4.744 8.844 1.00 0.00 C ATOM 1446 O VAL A 91 -5.908 -5.204 9.987 1.00 0.00 O ATOM 1447 CB VAL A 91 -6.075 -2.217 8.791 1.00 0.00 C ATOM 1448 CG1 VAL A 91 -7.446 -2.288 8.113 1.00 0.00 C ATOM 1449 CG2 VAL A 91 -6.319 -1.983 10.284 1.00 0.00 C ATOM 0 H VAL A 91 -5.102 -2.725 6.546 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.324 -3.413 9.182 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.503 -1.392 8.366 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.014 -1.388 8.346 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.315 -2.365 7.034 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.987 -3.162 8.476 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.947 -1.102 10.416 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.819 -2.852 10.712 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.365 -1.828 10.789 1.00 0.00 H new