USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 824 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 99 GLN : amide:sc= 0.572 K(o=1.4,f=-4!) USER MOD Set 1.2: A 103 LYS NZ :NH3+ -151:sc= 0.825 (180deg=-0.102) USER MOD Set 2.1: A 83 HIS : no HD1:sc= 0.641 K(o=2,f=-5.2!) USER MOD Set 2.2: A 85 TYR OH : rot -28:sc= 1.35 USER MOD Set 3.1: A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 61 LYS NZ :NH3+ 168:sc= -0.352 (180deg=-0.598) USER MOD Set 4.1: A 24 HIS : no HD1:sc= -0.727 X(o=-0.15,f=0.1) USER MOD Set 4.2: A 56 LYS NZ :NH3+ -117:sc= 0.577 (180deg=0.531) USER MOD Set 5.1: A 3 SER OG : rot -116:sc= 1.08 USER MOD Set 5.2: A 16 GLN : amide:sc= 1.69 K(o=2.8,f=1.7) USER MOD Single : A 9 SER OG : rot 70:sc= -0.638 USER MOD Single : A 10 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0609) USER MOD Single : A 19 LYS NZ :NH3+ -170:sc= -0.116 (180deg=-0.184) USER MOD Single : A 21 LYS NZ :NH3+ -177:sc= 0.632 (180deg=0.602) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.312 USER MOD Single : A 34 THR OG1 : rot -80:sc= 1.28 USER MOD Single : A 41 MET CE :methyl 166:sc= 0 (180deg=-0.193) USER MOD Single : A 48 THR OG1 : rot 65:sc= 1.14 USER MOD Single : A 50 SER OG : rot -21:sc= 1.2 USER MOD Single : A 51 ASN : amide:sc= 0.33 X(o=0.33,f=-0.011) USER MOD Single : A 53 TYR OH : rot -17:sc= 1.19 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.166 USER MOD Single : A 79 MET CE :methyl 160:sc= -0.0223 (180deg=-0.755) USER MOD Single : A 81 THR OG1 : rot 24:sc= 0.659 USER MOD Single : A 86 LYS NZ :NH3+ -111:sc= 0.341 (180deg=0.182) USER MOD Single : A 90 LYS NZ :NH3+ 162:sc= 1.18 (180deg=0.836) USER MOD Single : A 98 SER OG : rot 117:sc= 0.982 USER MOD Single : A 101 LYS NZ :NH3+ 164:sc= -0.211 (180deg=-0.339) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 HIS : no HD1:sc= 1.15 K(o=1.2,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 3 2.215 -7.408 6.030 1.00 0.00 N ATOM 18 CA SER A 3 2.382 -6.168 5.294 1.00 0.00 C ATOM 19 C SER A 3 1.028 -5.634 4.807 1.00 0.00 C ATOM 20 O SER A 3 0.745 -5.570 3.611 1.00 0.00 O ATOM 21 CB SER A 3 3.367 -6.443 4.156 1.00 0.00 C ATOM 22 OG SER A 3 3.217 -7.774 3.686 1.00 0.00 O ATOM 0 HA SER A 3 2.788 -5.381 5.930 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.196 -5.741 3.340 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.388 -6.286 4.504 1.00 0.00 H new ATOM 0 HG SER A 3 4.043 -8.275 3.852 1.00 0.00 H new ATOM 28 N VAL A 4 0.186 -5.261 5.771 1.00 0.00 N ATOM 29 CA VAL A 4 -1.123 -4.660 5.619 1.00 0.00 C ATOM 30 C VAL A 4 -1.246 -3.544 6.669 1.00 0.00 C ATOM 31 O VAL A 4 -2.324 -3.279 7.200 1.00 0.00 O ATOM 32 CB VAL A 4 -2.186 -5.756 5.807 1.00 0.00 C ATOM 33 CG1 VAL A 4 -2.380 -6.588 4.534 1.00 0.00 C ATOM 34 CG2 VAL A 4 -1.870 -6.671 6.997 1.00 0.00 C ATOM 0 H VAL A 4 0.429 -5.385 6.754 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.267 -4.224 4.630 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.121 -5.238 6.022 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -3.139 -7.350 4.710 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.700 -5.938 3.720 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.439 -7.068 4.266 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.648 -7.429 7.090 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.908 -7.157 6.837 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -1.830 -6.078 7.911 1.00 0.00 H new ATOM 44 N ILE A 5 -0.106 -2.929 6.988 1.00 0.00 N ATOM 45 CA ILE A 5 0.078 -1.899 7.998 1.00 0.00 C ATOM 46 C ILE A 5 1.009 -0.820 7.438 1.00 0.00 C ATOM 47 O ILE A 5 1.407 -0.883 6.273 1.00 0.00 O ATOM 48 CB ILE A 5 0.671 -2.544 9.272 1.00 0.00 C ATOM 49 CG1 ILE A 5 2.033 -3.209 8.983 1.00 0.00 C ATOM 50 CG2 ILE A 5 -0.320 -3.562 9.850 1.00 0.00 C ATOM 51 CD1 ILE A 5 2.673 -3.814 10.235 1.00 0.00 C ATOM 0 H ILE A 5 0.768 -3.156 6.513 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.874 -1.436 8.258 1.00 0.00 H new ATOM 0 HB ILE A 5 0.841 -1.758 10.008 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.900 -3.990 8.235 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.710 -2.470 8.555 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.104 -4.013 10.747 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.253 -3.058 10.103 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.516 -4.339 9.111 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.628 -4.268 9.972 1.00 0.00 H new ATOM 0 HD12 ILE A 5 2.835 -3.031 10.976 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.012 -4.575 10.650 1.00 0.00 H new ATOM 63 N VAL A 6 1.434 0.122 8.288 1.00 0.00 N ATOM 64 CA VAL A 6 2.372 1.171 7.919 1.00 0.00 C ATOM 65 C VAL A 6 3.761 0.519 7.926 1.00 0.00 C ATOM 66 O VAL A 6 4.566 0.712 8.834 1.00 0.00 O ATOM 67 CB VAL A 6 2.263 2.354 8.904 1.00 0.00 C ATOM 68 CG1 VAL A 6 3.149 3.526 8.455 1.00 0.00 C ATOM 69 CG2 VAL A 6 0.821 2.868 9.019 1.00 0.00 C ATOM 0 H VAL A 6 1.129 0.172 9.260 1.00 0.00 H new ATOM 0 HA VAL A 6 2.163 1.588 6.934 1.00 0.00 H new ATOM 0 HB VAL A 6 2.594 1.979 9.873 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.054 4.347 9.166 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.189 3.201 8.413 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.834 3.863 7.468 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.786 3.701 9.722 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.475 3.204 8.041 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.176 2.065 9.376 1.00 0.00 H new ATOM 79 N ILE A 7 4.005 -0.300 6.906 1.00 0.00 N ATOM 80 CA ILE A 7 5.215 -1.086 6.747 1.00 0.00 C ATOM 81 C ILE A 7 6.334 -0.186 6.211 1.00 0.00 C ATOM 82 O ILE A 7 6.085 0.728 5.427 1.00 0.00 O ATOM 83 CB ILE A 7 4.881 -2.286 5.838 1.00 0.00 C ATOM 84 CG1 ILE A 7 6.032 -3.301 5.754 1.00 0.00 C ATOM 85 CG2 ILE A 7 4.541 -1.840 4.407 1.00 0.00 C ATOM 86 CD1 ILE A 7 6.284 -4.040 7.071 1.00 0.00 C ATOM 0 H ILE A 7 3.340 -0.436 6.144 1.00 0.00 H new ATOM 0 HA ILE A 7 5.580 -1.486 7.693 1.00 0.00 H new ATOM 0 HB ILE A 7 4.015 -2.761 6.299 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.809 -4.029 4.974 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.943 -2.783 5.456 1.00 0.00 H new ATOM 0 HG21 ILE A 7 4.312 -2.715 3.798 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.677 -1.176 4.428 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.393 -1.313 3.978 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.109 -4.741 6.943 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.537 -3.320 7.849 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.386 -4.586 7.360 1.00 0.00 H new ATOM 98 N ASP A 8 7.580 -0.438 6.626 1.00 0.00 N ATOM 99 CA ASP A 8 8.722 0.399 6.284 1.00 0.00 C ATOM 100 C ASP A 8 9.258 0.112 4.883 1.00 0.00 C ATOM 101 O ASP A 8 10.402 -0.303 4.707 1.00 0.00 O ATOM 102 CB ASP A 8 9.816 0.246 7.352 1.00 0.00 C ATOM 103 CG ASP A 8 11.017 1.152 7.078 1.00 0.00 C ATOM 104 OD1 ASP A 8 10.781 2.288 6.610 1.00 0.00 O ATOM 105 OD2 ASP A 8 12.150 0.691 7.333 1.00 0.00 O ATOM 0 H ASP A 8 7.820 -1.237 7.213 1.00 0.00 H new ATOM 0 HA ASP A 8 8.386 1.436 6.269 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.401 0.481 8.332 1.00 0.00 H new ATOM 0 HB3 ASP A 8 10.146 -0.792 7.386 1.00 0.00 H new ATOM 110 N SER A 9 8.400 0.377 3.897 1.00 0.00 N ATOM 111 CA SER A 9 8.694 0.386 2.472 1.00 0.00 C ATOM 112 C SER A 9 9.812 -0.582 2.072 1.00 0.00 C ATOM 113 O SER A 9 9.706 -1.785 2.295 1.00 0.00 O ATOM 114 CB SER A 9 8.988 1.849 2.114 1.00 0.00 C ATOM 115 OG SER A 9 9.188 1.978 0.722 1.00 0.00 O ATOM 0 H SER A 9 7.424 0.604 4.088 1.00 0.00 H new ATOM 0 HA SER A 9 7.845 0.014 1.899 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.159 2.482 2.430 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.873 2.192 2.650 1.00 0.00 H new ATOM 0 HG SER A 9 8.337 1.840 0.255 1.00 0.00 H new ATOM 121 N LYS A 10 10.886 -0.031 1.515 1.00 0.00 N ATOM 122 CA LYS A 10 12.054 -0.674 0.952 1.00 0.00 C ATOM 123 C LYS A 10 12.546 -1.911 1.705 1.00 0.00 C ATOM 124 O LYS A 10 12.814 -2.944 1.095 1.00 0.00 O ATOM 125 CB LYS A 10 13.131 0.411 0.870 1.00 0.00 C ATOM 126 CG LYS A 10 13.842 0.892 2.152 1.00 0.00 C ATOM 127 CD LYS A 10 12.953 1.644 3.155 1.00 0.00 C ATOM 128 CE LYS A 10 13.693 1.941 4.464 1.00 0.00 C ATOM 129 NZ LYS A 10 14.881 2.787 4.257 1.00 0.00 N ATOM 0 H LYS A 10 10.960 0.984 1.443 1.00 0.00 H new ATOM 0 HA LYS A 10 11.796 -1.081 -0.026 1.00 0.00 H new ATOM 0 HB2 LYS A 10 13.901 0.052 0.188 1.00 0.00 H new ATOM 0 HB3 LYS A 10 12.675 1.285 0.405 1.00 0.00 H new ATOM 0 HG2 LYS A 10 14.275 0.027 2.654 1.00 0.00 H new ATOM 0 HG3 LYS A 10 14.669 1.542 1.867 1.00 0.00 H new ATOM 0 HD2 LYS A 10 12.614 2.579 2.709 1.00 0.00 H new ATOM 0 HD3 LYS A 10 12.063 1.051 3.367 1.00 0.00 H new ATOM 0 HE2 LYS A 10 13.014 2.436 5.158 1.00 0.00 H new ATOM 0 HE3 LYS A 10 13.995 1.002 4.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 15.299 3.030 5.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 15.580 2.271 3.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 14.604 3.659 3.761 1.00 0.00 H new ATOM 143 N ALA A 11 12.672 -1.810 3.024 1.00 0.00 N ATOM 144 CA ALA A 11 13.137 -2.907 3.861 1.00 0.00 C ATOM 145 C ALA A 11 12.231 -4.130 3.712 1.00 0.00 C ATOM 146 O ALA A 11 12.710 -5.261 3.696 1.00 0.00 O ATOM 147 CB ALA A 11 13.190 -2.444 5.319 1.00 0.00 C ATOM 0 H ALA A 11 12.453 -0.960 3.544 1.00 0.00 H new ATOM 0 HA ALA A 11 14.137 -3.199 3.541 1.00 0.00 H new ATOM 0 HB1 ALA A 11 13.538 -3.263 5.948 1.00 0.00 H new ATOM 0 HB2 ALA A 11 13.876 -1.601 5.408 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.194 -2.137 5.640 1.00 0.00 H new ATOM 153 N ALA A 12 10.920 -3.901 3.612 1.00 0.00 N ATOM 154 CA ALA A 12 9.934 -4.956 3.464 1.00 0.00 C ATOM 155 C ALA A 12 9.730 -5.311 1.991 1.00 0.00 C ATOM 156 O ALA A 12 9.570 -6.486 1.671 1.00 0.00 O ATOM 157 CB ALA A 12 8.622 -4.485 4.092 1.00 0.00 C ATOM 0 H ALA A 12 10.516 -2.965 3.633 1.00 0.00 H new ATOM 0 HA ALA A 12 10.284 -5.856 3.969 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.869 -5.266 3.990 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.781 -4.270 5.149 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.280 -3.582 3.586 1.00 0.00 H new ATOM 163 N TRP A 13 9.709 -4.294 1.124 1.00 0.00 N ATOM 164 CA TRP A 13 9.460 -4.329 -0.314 1.00 0.00 C ATOM 165 C TRP A 13 9.957 -5.613 -0.980 1.00 0.00 C ATOM 166 O TRP A 13 9.149 -6.379 -1.495 1.00 0.00 O ATOM 167 CB TRP A 13 10.112 -3.091 -0.949 1.00 0.00 C ATOM 168 CG TRP A 13 9.995 -2.942 -2.437 1.00 0.00 C ATOM 169 CD1 TRP A 13 10.912 -3.358 -3.337 1.00 0.00 C ATOM 170 CD2 TRP A 13 8.952 -2.287 -3.219 1.00 0.00 C ATOM 171 NE1 TRP A 13 10.484 -3.083 -4.617 1.00 0.00 N ATOM 172 CE2 TRP A 13 9.280 -2.414 -4.601 1.00 0.00 C ATOM 173 CE3 TRP A 13 7.774 -1.576 -2.905 1.00 0.00 C ATOM 174 CZ2 TRP A 13 8.465 -1.902 -5.618 1.00 0.00 C ATOM 175 CZ3 TRP A 13 6.954 -1.047 -3.918 1.00 0.00 C ATOM 176 CH2 TRP A 13 7.289 -1.217 -5.274 1.00 0.00 C ATOM 0 H TRP A 13 9.882 -3.341 1.443 1.00 0.00 H new ATOM 0 HA TRP A 13 8.382 -4.317 -0.474 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.678 -2.205 -0.486 1.00 0.00 H new ATOM 0 HB3 TRP A 13 11.171 -3.098 -0.692 1.00 0.00 H new ATOM 0 HD1 TRP A 13 11.847 -3.838 -3.089 1.00 0.00 H new ATOM 0 HE1 TRP A 13 10.991 -3.340 -5.464 1.00 0.00 H new ATOM 0 HE3 TRP A 13 7.498 -1.436 -1.870 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 8.738 -2.033 -6.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.058 -0.505 -3.652 1.00 0.00 H new ATOM 0 HH2 TRP A 13 6.645 -0.823 -6.046 1.00 0.00 H new ATOM 187 N ASP A 14 11.272 -5.848 -0.982 1.00 0.00 N ATOM 188 CA ASP A 14 11.861 -6.995 -1.671 1.00 0.00 C ATOM 189 C ASP A 14 11.308 -8.317 -1.147 1.00 0.00 C ATOM 190 O ASP A 14 10.786 -9.146 -1.895 1.00 0.00 O ATOM 191 CB ASP A 14 13.377 -6.962 -1.488 1.00 0.00 C ATOM 192 CG ASP A 14 14.039 -8.116 -2.231 1.00 0.00 C ATOM 193 OD1 ASP A 14 14.220 -7.970 -3.457 1.00 0.00 O ATOM 194 OD2 ASP A 14 14.341 -9.123 -1.554 1.00 0.00 O ATOM 0 H ASP A 14 11.952 -5.253 -0.509 1.00 0.00 H new ATOM 0 HA ASP A 14 11.604 -6.927 -2.728 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.771 -6.014 -1.855 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.621 -7.020 -0.427 1.00 0.00 H new ATOM 199 N ALA A 15 11.444 -8.498 0.164 1.00 0.00 N ATOM 200 CA ALA A 15 10.982 -9.695 0.846 1.00 0.00 C ATOM 201 C ALA A 15 9.522 -9.960 0.486 1.00 0.00 C ATOM 202 O ALA A 15 9.181 -11.048 0.030 1.00 0.00 O ATOM 203 CB ALA A 15 11.166 -9.535 2.358 1.00 0.00 C ATOM 0 H ALA A 15 11.880 -7.814 0.782 1.00 0.00 H new ATOM 0 HA ALA A 15 11.572 -10.554 0.525 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.818 -10.435 2.864 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.221 -9.378 2.582 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.590 -8.678 2.706 1.00 0.00 H new ATOM 209 N GLN A 16 8.677 -8.942 0.660 1.00 0.00 N ATOM 210 CA GLN A 16 7.250 -8.992 0.386 1.00 0.00 C ATOM 211 C GLN A 16 7.007 -9.394 -1.067 1.00 0.00 C ATOM 212 O GLN A 16 6.263 -10.336 -1.321 1.00 0.00 O ATOM 213 CB GLN A 16 6.609 -7.622 0.675 1.00 0.00 C ATOM 214 CG GLN A 16 5.772 -7.604 1.959 1.00 0.00 C ATOM 215 CD GLN A 16 6.465 -8.075 3.235 1.00 0.00 C ATOM 216 OE1 GLN A 16 5.804 -8.621 4.113 1.00 0.00 O ATOM 217 NE2 GLN A 16 7.765 -7.854 3.384 1.00 0.00 N ATOM 0 H GLN A 16 8.983 -8.033 1.007 1.00 0.00 H new ATOM 0 HA GLN A 16 6.792 -9.738 1.035 1.00 0.00 H new ATOM 0 HB2 GLN A 16 7.394 -6.870 0.751 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.977 -7.339 -0.167 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.418 -6.586 2.120 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.892 -8.227 1.800 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.293 -7.398 2.640 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.236 -8.140 4.243 1.00 0.00 H new ATOM 226 N LEU A 17 7.625 -8.668 -2.001 1.00 0.00 N ATOM 227 CA LEU A 17 7.526 -8.895 -3.435 1.00 0.00 C ATOM 228 C LEU A 17 7.704 -10.382 -3.738 1.00 0.00 C ATOM 229 O LEU A 17 6.876 -10.967 -4.432 1.00 0.00 O ATOM 230 CB LEU A 17 8.564 -7.996 -4.145 1.00 0.00 C ATOM 231 CG LEU A 17 8.675 -8.067 -5.680 1.00 0.00 C ATOM 232 CD1 LEU A 17 9.344 -9.345 -6.202 1.00 0.00 C ATOM 233 CD2 LEU A 17 7.330 -7.840 -6.371 1.00 0.00 C ATOM 0 H LEU A 17 8.228 -7.880 -1.766 1.00 0.00 H new ATOM 0 HA LEU A 17 6.540 -8.624 -3.813 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.345 -6.962 -3.877 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.544 -8.232 -3.731 1.00 0.00 H new ATOM 0 HG LEU A 17 9.339 -7.244 -5.943 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.383 -9.317 -7.291 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.356 -9.414 -5.804 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.768 -10.214 -5.882 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.461 -7.900 -7.451 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.622 -8.603 -6.049 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.947 -6.855 -6.106 1.00 0.00 H new ATOM 245 N ALA A 18 8.748 -11.006 -3.187 1.00 0.00 N ATOM 246 CA ALA A 18 9.029 -12.405 -3.476 1.00 0.00 C ATOM 247 C ALA A 18 8.132 -13.344 -2.667 1.00 0.00 C ATOM 248 O ALA A 18 7.349 -14.108 -3.234 1.00 0.00 O ATOM 249 CB ALA A 18 10.510 -12.672 -3.198 1.00 0.00 C ATOM 0 H ALA A 18 9.405 -10.565 -2.544 1.00 0.00 H new ATOM 0 HA ALA A 18 8.811 -12.604 -4.525 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.737 -13.717 -3.410 1.00 0.00 H new ATOM 0 HB2 ALA A 18 11.121 -12.032 -3.834 1.00 0.00 H new ATOM 0 HB3 ALA A 18 10.728 -12.458 -2.152 1.00 0.00 H new ATOM 255 N LYS A 19 8.237 -13.292 -1.335 1.00 0.00 N ATOM 256 CA LYS A 19 7.515 -14.187 -0.437 1.00 0.00 C ATOM 257 C LYS A 19 6.003 -14.113 -0.661 1.00 0.00 C ATOM 258 O LYS A 19 5.285 -15.073 -0.388 1.00 0.00 O ATOM 259 CB LYS A 19 7.902 -13.866 1.015 1.00 0.00 C ATOM 260 CG LYS A 19 7.238 -12.605 1.583 1.00 0.00 C ATOM 261 CD LYS A 19 6.101 -12.989 2.543 1.00 0.00 C ATOM 262 CE LYS A 19 5.344 -11.762 3.056 1.00 0.00 C ATOM 263 NZ LYS A 19 4.510 -11.152 2.005 1.00 0.00 N ATOM 0 H LYS A 19 8.832 -12.620 -0.850 1.00 0.00 H new ATOM 0 HA LYS A 19 7.800 -15.216 -0.653 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.639 -14.716 1.645 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.984 -13.750 1.073 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.978 -12.001 2.108 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.846 -11.994 0.770 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.406 -13.657 2.033 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.511 -13.541 3.388 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.714 -12.050 3.898 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.056 -11.025 3.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.149 -10.235 2.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.081 -11.009 1.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.711 -11.781 1.788 1.00 0.00 H new ATOM 277 N GLY A 20 5.522 -12.969 -1.153 1.00 0.00 N ATOM 278 CA GLY A 20 4.129 -12.736 -1.448 1.00 0.00 C ATOM 279 C GLY A 20 3.582 -13.736 -2.460 1.00 0.00 C ATOM 280 O GLY A 20 2.390 -14.008 -2.400 1.00 0.00 O ATOM 0 H GLY A 20 6.116 -12.166 -1.358 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.549 -12.798 -0.527 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.005 -11.725 -1.835 1.00 0.00 H new ATOM 284 N LYS A 21 4.414 -14.273 -3.370 1.00 0.00 N ATOM 285 CA LYS A 21 3.968 -15.202 -4.414 1.00 0.00 C ATOM 286 C LYS A 21 2.742 -14.592 -5.100 1.00 0.00 C ATOM 287 O LYS A 21 1.645 -15.151 -5.112 1.00 0.00 O ATOM 288 CB LYS A 21 3.702 -16.589 -3.810 1.00 0.00 C ATOM 289 CG LYS A 21 5.013 -17.201 -3.293 1.00 0.00 C ATOM 290 CD LYS A 21 4.820 -18.617 -2.730 1.00 0.00 C ATOM 291 CE LYS A 21 3.965 -18.663 -1.457 1.00 0.00 C ATOM 292 NZ LYS A 21 4.552 -17.867 -0.363 1.00 0.00 N ATOM 0 H LYS A 21 5.414 -14.073 -3.399 1.00 0.00 H new ATOM 0 HA LYS A 21 4.739 -15.350 -5.170 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.984 -16.507 -2.994 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.258 -17.242 -4.561 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.740 -17.232 -4.104 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.429 -16.559 -2.517 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.354 -19.241 -3.493 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.797 -19.050 -2.517 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.965 -18.290 -1.679 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.855 -19.698 -1.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.968 -17.968 0.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.516 -18.205 -0.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.587 -16.866 -0.642 1.00 0.00 H new ATOM 306 N GLU A 22 2.977 -13.416 -5.678 1.00 0.00 N ATOM 307 CA GLU A 22 2.020 -12.488 -6.259 1.00 0.00 C ATOM 308 C GLU A 22 1.228 -12.997 -7.478 1.00 0.00 C ATOM 309 O GLU A 22 0.752 -12.189 -8.274 1.00 0.00 O ATOM 310 CB GLU A 22 2.803 -11.209 -6.602 1.00 0.00 C ATOM 311 CG GLU A 22 3.863 -11.378 -7.709 1.00 0.00 C ATOM 312 CD GLU A 22 5.279 -11.662 -7.201 1.00 0.00 C ATOM 313 OE1 GLU A 22 5.448 -12.686 -6.504 1.00 0.00 O ATOM 314 OE2 GLU A 22 6.173 -10.852 -7.527 1.00 0.00 O ATOM 0 H GLU A 22 3.930 -13.060 -5.757 1.00 0.00 H new ATOM 0 HA GLU A 22 1.236 -12.323 -5.520 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.096 -10.438 -6.910 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.295 -10.848 -5.699 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.557 -12.193 -8.365 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.884 -10.472 -8.315 1.00 0.00 H new ATOM 321 N GLU A 23 1.053 -14.308 -7.647 1.00 0.00 N ATOM 322 CA GLU A 23 0.345 -14.878 -8.781 1.00 0.00 C ATOM 323 C GLU A 23 -1.157 -14.787 -8.507 1.00 0.00 C ATOM 324 O GLU A 23 -1.893 -14.136 -9.244 1.00 0.00 O ATOM 325 CB GLU A 23 0.809 -16.325 -9.012 1.00 0.00 C ATOM 326 CG GLU A 23 2.290 -16.406 -9.425 1.00 0.00 C ATOM 327 CD GLU A 23 3.254 -16.099 -8.280 1.00 0.00 C ATOM 328 OE1 GLU A 23 3.257 -16.892 -7.315 1.00 0.00 O ATOM 329 OE2 GLU A 23 3.951 -15.066 -8.374 1.00 0.00 O ATOM 0 H GLU A 23 1.404 -15.006 -6.991 1.00 0.00 H new ATOM 0 HA GLU A 23 0.563 -14.325 -9.695 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.656 -16.903 -8.100 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.193 -16.782 -9.786 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.499 -17.405 -9.809 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.471 -15.706 -10.241 1.00 0.00 H new ATOM 336 N HIS A 24 -1.602 -15.420 -7.418 1.00 0.00 N ATOM 337 CA HIS A 24 -2.984 -15.395 -6.954 1.00 0.00 C ATOM 338 C HIS A 24 -3.028 -14.623 -5.629 1.00 0.00 C ATOM 339 O HIS A 24 -3.763 -14.972 -4.708 1.00 0.00 O ATOM 340 CB HIS A 24 -3.498 -16.842 -6.835 1.00 0.00 C ATOM 341 CG HIS A 24 -4.912 -16.981 -6.318 1.00 0.00 C ATOM 342 ND1 HIS A 24 -5.332 -18.145 -5.672 1.00 0.00 N ATOM 343 CD2 HIS A 24 -5.928 -16.062 -6.274 1.00 0.00 C ATOM 344 CE1 HIS A 24 -6.549 -17.854 -5.200 1.00 0.00 C ATOM 345 NE2 HIS A 24 -6.924 -16.599 -5.487 1.00 0.00 N ATOM 0 H HIS A 24 -0.991 -15.978 -6.821 1.00 0.00 H new ATOM 0 HA HIS A 24 -3.644 -14.884 -7.656 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -3.438 -17.314 -7.816 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -2.830 -17.395 -6.174 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.945 -15.099 -6.763 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -7.162 -18.552 -4.649 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.779 -16.133 -5.183 1.00 0.00 H new ATOM 353 N LYS A 25 -2.208 -13.577 -5.507 1.00 0.00 N ATOM 354 CA LYS A 25 -2.142 -12.741 -4.318 1.00 0.00 C ATOM 355 C LYS A 25 -1.860 -11.306 -4.781 1.00 0.00 C ATOM 356 O LYS A 25 -0.894 -11.088 -5.511 1.00 0.00 O ATOM 357 CB LYS A 25 -1.047 -13.247 -3.371 1.00 0.00 C ATOM 358 CG LYS A 25 -1.451 -14.584 -2.731 1.00 0.00 C ATOM 359 CD LYS A 25 -0.338 -15.166 -1.862 1.00 0.00 C ATOM 360 CE LYS A 25 -0.844 -16.401 -1.115 1.00 0.00 C ATOM 361 NZ LYS A 25 0.261 -17.105 -0.443 1.00 0.00 N ATOM 0 H LYS A 25 -1.565 -13.287 -6.244 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.081 -12.775 -3.766 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.114 -13.369 -3.920 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.864 -12.507 -2.592 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.345 -14.439 -2.125 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.709 -15.297 -3.514 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.517 -15.432 -2.483 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.007 -14.417 -1.150 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.591 -16.104 -0.379 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.337 -17.076 -1.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.111 -17.938 0.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.961 -17.408 -1.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.715 -16.466 0.241 1.00 0.00 H new ATOM 375 N PRO A 26 -2.708 -10.331 -4.430 1.00 0.00 N ATOM 376 CA PRO A 26 -2.541 -8.943 -4.813 1.00 0.00 C ATOM 377 C PRO A 26 -1.494 -8.271 -3.935 1.00 0.00 C ATOM 378 O PRO A 26 -1.654 -8.194 -2.715 1.00 0.00 O ATOM 379 CB PRO A 26 -3.929 -8.314 -4.654 1.00 0.00 C ATOM 380 CG PRO A 26 -4.515 -9.108 -3.490 1.00 0.00 C ATOM 381 CD PRO A 26 -3.944 -10.508 -3.694 1.00 0.00 C ATOM 0 HA PRO A 26 -2.180 -8.829 -5.835 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.869 -7.249 -4.430 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.528 -8.417 -5.559 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.218 -8.689 -2.528 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.605 -9.111 -3.514 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -3.762 -10.998 -2.738 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -4.641 -11.137 -4.247 1.00 0.00 H new ATOM 389 N ILE A 27 -0.417 -7.799 -4.569 1.00 0.00 N ATOM 390 CA ILE A 27 0.587 -6.989 -3.916 1.00 0.00 C ATOM 391 C ILE A 27 0.332 -5.591 -4.483 1.00 0.00 C ATOM 392 O ILE A 27 0.428 -5.370 -5.694 1.00 0.00 O ATOM 393 CB ILE A 27 2.007 -7.573 -4.080 1.00 0.00 C ATOM 394 CG1 ILE A 27 2.615 -7.384 -5.473 1.00 0.00 C ATOM 395 CG2 ILE A 27 1.954 -9.074 -3.745 1.00 0.00 C ATOM 396 CD1 ILE A 27 4.086 -7.803 -5.523 1.00 0.00 C ATOM 0 H ILE A 27 -0.226 -7.975 -5.555 1.00 0.00 H new ATOM 0 HA ILE A 27 0.518 -6.960 -2.829 1.00 0.00 H new ATOM 0 HB ILE A 27 2.655 -7.022 -3.399 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.048 -7.968 -6.198 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.527 -6.338 -5.767 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.948 -9.507 -3.855 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.612 -9.206 -2.718 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.264 -9.574 -4.424 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.474 -7.651 -6.530 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.660 -7.201 -4.819 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.174 -8.856 -5.256 1.00 0.00 H new ATOM 408 N VAL A 28 -0.127 -4.694 -3.612 1.00 0.00 N ATOM 409 CA VAL A 28 -0.549 -3.343 -3.926 1.00 0.00 C ATOM 410 C VAL A 28 0.340 -2.402 -3.132 1.00 0.00 C ATOM 411 O VAL A 28 0.772 -2.759 -2.037 1.00 0.00 O ATOM 412 CB VAL A 28 -2.028 -3.162 -3.521 1.00 0.00 C ATOM 413 CG1 VAL A 28 -2.567 -1.791 -3.950 1.00 0.00 C ATOM 414 CG2 VAL A 28 -2.928 -4.251 -4.120 1.00 0.00 C ATOM 0 H VAL A 28 -0.217 -4.908 -2.619 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.462 -3.135 -4.993 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.051 -3.240 -2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.610 -1.700 -3.648 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.981 -1.005 -3.474 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.493 -1.693 -5.033 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.959 -4.083 -3.808 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.867 -4.215 -5.208 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.598 -5.229 -3.770 1.00 0.00 H new ATOM 424 N VAL A 29 0.619 -1.213 -3.663 1.00 0.00 N ATOM 425 CA VAL A 29 1.374 -0.197 -2.947 1.00 0.00 C ATOM 426 C VAL A 29 0.665 1.147 -3.089 1.00 0.00 C ATOM 427 O VAL A 29 0.180 1.491 -4.170 1.00 0.00 O ATOM 428 CB VAL A 29 2.844 -0.151 -3.409 1.00 0.00 C ATOM 429 CG1 VAL A 29 2.978 0.145 -4.892 1.00 0.00 C ATOM 430 CG2 VAL A 29 3.645 0.922 -2.650 1.00 0.00 C ATOM 0 H VAL A 29 0.327 -0.931 -4.599 1.00 0.00 H new ATOM 0 HA VAL A 29 1.410 -0.451 -1.888 1.00 0.00 H new ATOM 0 HB VAL A 29 3.241 -1.144 -3.197 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.033 0.166 -5.165 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.470 -0.631 -5.465 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.527 1.113 -5.112 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.676 0.924 -3.003 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.199 1.901 -2.826 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.628 0.702 -1.583 1.00 0.00 H new ATOM 440 N ASP A 30 0.597 1.871 -1.970 1.00 0.00 N ATOM 441 CA ASP A 30 0.061 3.211 -1.818 1.00 0.00 C ATOM 442 C ASP A 30 1.262 4.134 -1.659 1.00 0.00 C ATOM 443 O ASP A 30 1.819 4.212 -0.566 1.00 0.00 O ATOM 444 CB ASP A 30 -0.838 3.264 -0.571 1.00 0.00 C ATOM 445 CG ASP A 30 -1.053 4.675 -0.017 1.00 0.00 C ATOM 446 OD1 ASP A 30 -1.084 5.621 -0.833 1.00 0.00 O ATOM 447 OD2 ASP A 30 -1.186 4.787 1.221 1.00 0.00 O ATOM 0 H ASP A 30 0.943 1.502 -1.084 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.545 3.510 -2.674 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.807 2.829 -0.816 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.398 2.642 0.208 1.00 0.00 H new ATOM 452 N PHE A 31 1.686 4.785 -2.742 1.00 0.00 N ATOM 453 CA PHE A 31 2.768 5.752 -2.719 1.00 0.00 C ATOM 454 C PHE A 31 2.135 7.125 -2.515 1.00 0.00 C ATOM 455 O PHE A 31 1.725 7.751 -3.493 1.00 0.00 O ATOM 456 CB PHE A 31 3.533 5.729 -4.048 1.00 0.00 C ATOM 457 CG PHE A 31 4.351 4.487 -4.330 1.00 0.00 C ATOM 458 CD1 PHE A 31 5.632 4.358 -3.763 1.00 0.00 C ATOM 459 CD2 PHE A 31 3.952 3.609 -5.355 1.00 0.00 C ATOM 460 CE1 PHE A 31 6.530 3.396 -4.256 1.00 0.00 C ATOM 461 CE2 PHE A 31 4.861 2.665 -5.866 1.00 0.00 C ATOM 462 CZ PHE A 31 6.158 2.577 -5.337 1.00 0.00 C ATOM 0 H PHE A 31 1.279 4.650 -3.667 1.00 0.00 H new ATOM 0 HA PHE A 31 3.473 5.519 -1.921 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.815 5.857 -4.858 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.200 6.591 -4.074 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.926 5.000 -2.946 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.948 3.660 -5.749 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.505 3.286 -3.805 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.560 2.006 -6.667 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.869 1.882 -5.759 1.00 0.00 H new ATOM 472 N THR A 32 2.040 7.589 -1.269 1.00 0.00 N ATOM 473 CA THR A 32 1.457 8.886 -0.938 1.00 0.00 C ATOM 474 C THR A 32 2.543 9.813 -0.387 1.00 0.00 C ATOM 475 O THR A 32 3.731 9.519 -0.522 1.00 0.00 O ATOM 476 CB THR A 32 0.241 8.685 -0.016 1.00 0.00 C ATOM 477 OG1 THR A 32 -0.387 9.928 0.241 1.00 0.00 O ATOM 478 CG2 THR A 32 0.614 8.038 1.316 1.00 0.00 C ATOM 0 H THR A 32 2.369 7.070 -0.455 1.00 0.00 H new ATOM 0 HA THR A 32 1.071 9.387 -1.826 1.00 0.00 H new ATOM 0 HB THR A 32 -0.439 8.012 -0.539 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.160 9.789 0.827 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.281 7.920 1.927 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.060 7.060 1.133 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.330 8.671 1.840 1.00 0.00 H new ATOM 486 N ALA A 33 2.139 10.943 0.196 1.00 0.00 N ATOM 487 CA ALA A 33 3.017 11.974 0.731 1.00 0.00 C ATOM 488 C ALA A 33 2.450 12.519 2.041 1.00 0.00 C ATOM 489 O ALA A 33 1.343 12.164 2.439 1.00 0.00 O ATOM 490 CB ALA A 33 3.162 13.089 -0.308 1.00 0.00 C ATOM 0 H ALA A 33 1.151 11.170 0.311 1.00 0.00 H new ATOM 0 HA ALA A 33 4.000 11.553 0.942 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.818 13.867 0.082 1.00 0.00 H new ATOM 0 HB2 ALA A 33 3.589 12.680 -1.224 1.00 0.00 H new ATOM 0 HB3 ALA A 33 2.182 13.515 -0.524 1.00 0.00 H new ATOM 496 N THR A 34 3.225 13.378 2.704 1.00 0.00 N ATOM 497 CA THR A 34 2.893 14.008 3.975 1.00 0.00 C ATOM 498 C THR A 34 2.374 15.426 3.719 1.00 0.00 C ATOM 499 O THR A 34 1.206 15.730 3.958 1.00 0.00 O ATOM 500 CB THR A 34 4.152 14.021 4.859 1.00 0.00 C ATOM 501 OG1 THR A 34 5.230 14.638 4.176 1.00 0.00 O ATOM 502 CG2 THR A 34 4.567 12.597 5.239 1.00 0.00 C ATOM 0 H THR A 34 4.139 13.663 2.352 1.00 0.00 H new ATOM 0 HA THR A 34 2.109 13.452 4.490 1.00 0.00 H new ATOM 0 HB THR A 34 3.914 14.583 5.762 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.630 13.998 3.551 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.459 12.633 5.864 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.758 12.117 5.789 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.780 12.027 4.335 1.00 0.00 H new ATOM 510 N TRP A 35 3.257 16.284 3.197 1.00 0.00 N ATOM 511 CA TRP A 35 3.011 17.686 2.869 1.00 0.00 C ATOM 512 C TRP A 35 1.736 17.888 2.042 1.00 0.00 C ATOM 513 O TRP A 35 1.156 18.971 2.070 1.00 0.00 O ATOM 514 CB TRP A 35 4.229 18.244 2.121 1.00 0.00 C ATOM 515 CG TRP A 35 4.589 17.512 0.865 1.00 0.00 C ATOM 516 CD1 TRP A 35 5.515 16.534 0.771 1.00 0.00 C ATOM 517 CD2 TRP A 35 4.012 17.640 -0.470 1.00 0.00 C ATOM 518 NE1 TRP A 35 5.524 16.019 -0.506 1.00 0.00 N ATOM 519 CE2 TRP A 35 4.619 16.668 -1.318 1.00 0.00 C ATOM 520 CE3 TRP A 35 3.024 18.468 -1.049 1.00 0.00 C ATOM 521 CZ2 TRP A 35 4.262 16.518 -2.666 1.00 0.00 C ATOM 522 CZ3 TRP A 35 2.659 18.327 -2.400 1.00 0.00 C ATOM 523 CH2 TRP A 35 3.278 17.359 -3.209 1.00 0.00 C ATOM 0 H TRP A 35 4.213 16.000 2.982 1.00 0.00 H new ATOM 0 HA TRP A 35 2.859 18.227 3.803 1.00 0.00 H new ATOM 0 HB2 TRP A 35 4.038 19.288 1.873 1.00 0.00 H new ATOM 0 HB3 TRP A 35 5.088 18.228 2.792 1.00 0.00 H new ATOM 0 HD1 TRP A 35 6.154 16.205 1.577 1.00 0.00 H new ATOM 0 HE1 TRP A 35 6.125 15.254 -0.812 1.00 0.00 H new ATOM 0 HE3 TRP A 35 2.541 19.221 -0.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 4.738 15.766 -3.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 1.897 18.968 -2.819 1.00 0.00 H new ATOM 0 HH2 TRP A 35 2.997 17.262 -4.247 1.00 0.00 H new ATOM 534 N CYS A 36 1.293 16.862 1.306 1.00 0.00 N ATOM 535 CA CYS A 36 0.053 16.908 0.538 1.00 0.00 C ATOM 536 C CYS A 36 -1.162 17.200 1.430 1.00 0.00 C ATOM 537 O CYS A 36 -2.222 17.540 0.910 1.00 0.00 O ATOM 538 CB CYS A 36 -0.179 15.584 -0.190 1.00 0.00 C ATOM 539 SG CYS A 36 -0.771 14.257 0.888 1.00 0.00 S ATOM 0 H CYS A 36 1.790 15.975 1.229 1.00 0.00 H new ATOM 0 HA CYS A 36 0.160 17.718 -0.184 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.903 15.741 -0.990 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.753 15.270 -0.661 1.00 0.00 H new ATOM 544 N GLY A 37 -1.037 17.039 2.753 1.00 0.00 N ATOM 545 CA GLY A 37 -2.090 17.348 3.703 1.00 0.00 C ATOM 546 C GLY A 37 -3.311 16.463 3.457 1.00 0.00 C ATOM 547 O GLY A 37 -3.206 15.258 3.673 1.00 0.00 O ATOM 0 H GLY A 37 -0.186 16.685 3.191 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.725 17.200 4.719 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.371 18.398 3.615 1.00 0.00 H new ATOM 551 N PRO A 38 -4.456 17.013 3.011 1.00 0.00 N ATOM 552 CA PRO A 38 -5.677 16.263 2.756 1.00 0.00 C ATOM 553 C PRO A 38 -5.470 14.884 2.132 1.00 0.00 C ATOM 554 O PRO A 38 -6.048 13.913 2.611 1.00 0.00 O ATOM 555 CB PRO A 38 -6.526 17.174 1.870 1.00 0.00 C ATOM 556 CG PRO A 38 -6.185 18.555 2.428 1.00 0.00 C ATOM 557 CD PRO A 38 -4.697 18.431 2.768 1.00 0.00 C ATOM 0 HA PRO A 38 -6.164 16.020 3.701 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.262 17.082 0.816 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.590 16.950 1.953 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.368 19.342 1.697 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.782 18.793 3.308 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.078 18.797 1.949 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.447 19.025 3.647 1.00 0.00 H new ATOM 565 N CYS A 39 -4.634 14.778 1.095 1.00 0.00 N ATOM 566 CA CYS A 39 -4.395 13.512 0.393 1.00 0.00 C ATOM 567 C CYS A 39 -4.005 12.378 1.351 1.00 0.00 C ATOM 568 O CYS A 39 -4.368 11.222 1.126 1.00 0.00 O ATOM 569 CB CYS A 39 -3.338 13.688 -0.712 1.00 0.00 C ATOM 570 SG CYS A 39 -1.706 12.944 -0.424 1.00 0.00 S ATOM 0 H CYS A 39 -4.105 15.565 0.719 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.337 13.223 -0.073 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -3.741 13.271 -1.635 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.198 14.756 -0.879 1.00 0.00 H new ATOM 575 N LYS A 40 -3.308 12.708 2.446 1.00 0.00 N ATOM 576 CA LYS A 40 -2.860 11.742 3.437 1.00 0.00 C ATOM 577 C LYS A 40 -4.050 10.940 3.985 1.00 0.00 C ATOM 578 O LYS A 40 -3.882 9.775 4.343 1.00 0.00 O ATOM 579 CB LYS A 40 -2.094 12.480 4.552 1.00 0.00 C ATOM 580 CG LYS A 40 -0.897 11.718 5.139 1.00 0.00 C ATOM 581 CD LYS A 40 -1.251 10.357 5.742 1.00 0.00 C ATOM 582 CE LYS A 40 -0.056 9.797 6.521 1.00 0.00 C ATOM 583 NZ LYS A 40 -0.338 8.446 7.038 1.00 0.00 N ATOM 0 H LYS A 40 -3.040 13.668 2.664 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.183 11.024 2.975 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.740 13.433 4.158 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.790 12.708 5.359 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.154 11.573 4.355 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.432 12.333 5.909 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.111 10.457 6.404 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.536 9.663 4.951 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.820 9.765 5.873 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.185 10.463 7.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.490 8.094 7.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.159 8.482 7.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.544 7.806 6.244 1.00 0.00 H new ATOM 597 N MET A 41 -5.259 11.518 4.007 1.00 0.00 N ATOM 598 CA MET A 41 -6.465 10.863 4.513 1.00 0.00 C ATOM 599 C MET A 41 -6.725 9.511 3.839 1.00 0.00 C ATOM 600 O MET A 41 -7.360 8.638 4.427 1.00 0.00 O ATOM 601 CB MET A 41 -7.674 11.801 4.356 1.00 0.00 C ATOM 602 CG MET A 41 -8.200 11.937 2.915 1.00 0.00 C ATOM 603 SD MET A 41 -9.392 10.699 2.333 1.00 0.00 S ATOM 604 CE MET A 41 -10.819 11.089 3.371 1.00 0.00 C ATOM 0 H MET A 41 -5.425 12.466 3.669 1.00 0.00 H new ATOM 0 HA MET A 41 -6.309 10.654 5.571 1.00 0.00 H new ATOM 0 HB2 MET A 41 -8.483 11.439 4.991 1.00 0.00 H new ATOM 0 HB3 MET A 41 -7.399 12.790 4.723 1.00 0.00 H new ATOM 0 HG2 MET A 41 -8.662 12.919 2.818 1.00 0.00 H new ATOM 0 HG3 MET A 41 -7.343 11.920 2.242 1.00 0.00 H new ATOM 0 HE1 MET A 41 -11.705 10.594 2.973 1.00 0.00 H new ATOM 0 HE2 MET A 41 -10.635 10.742 4.388 1.00 0.00 H new ATOM 0 HE3 MET A 41 -10.979 12.167 3.379 1.00 0.00 H new ATOM 614 N ILE A 42 -6.230 9.322 2.616 1.00 0.00 N ATOM 615 CA ILE A 42 -6.419 8.068 1.906 1.00 0.00 C ATOM 616 C ILE A 42 -5.623 6.943 2.575 1.00 0.00 C ATOM 617 O ILE A 42 -6.045 5.790 2.524 1.00 0.00 O ATOM 618 CB ILE A 42 -6.041 8.262 0.430 1.00 0.00 C ATOM 619 CG1 ILE A 42 -7.024 9.275 -0.185 1.00 0.00 C ATOM 620 CG2 ILE A 42 -6.098 6.916 -0.306 1.00 0.00 C ATOM 621 CD1 ILE A 42 -6.785 9.547 -1.667 1.00 0.00 C ATOM 0 H ILE A 42 -5.697 10.023 2.101 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.467 7.770 1.948 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.024 8.643 0.339 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -8.041 8.906 -0.053 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.952 10.215 0.363 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.829 7.062 -1.352 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.398 6.219 0.155 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -7.108 6.510 -0.244 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -7.517 10.270 -2.027 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.781 9.947 -1.806 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -6.886 8.618 -2.228 1.00 0.00 H new ATOM 633 N ALA A 43 -4.488 7.253 3.209 1.00 0.00 N ATOM 634 CA ALA A 43 -3.644 6.247 3.840 1.00 0.00 C ATOM 635 C ALA A 43 -4.426 5.371 4.836 1.00 0.00 C ATOM 636 O ALA A 43 -4.459 4.161 4.633 1.00 0.00 O ATOM 637 CB ALA A 43 -2.423 6.906 4.484 1.00 0.00 C ATOM 0 H ALA A 43 -4.134 8.206 3.296 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.290 5.570 3.062 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.802 6.142 4.952 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.845 7.426 3.720 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.751 7.620 5.240 1.00 0.00 H new ATOM 643 N PRO A 44 -5.064 5.904 5.897 1.00 0.00 N ATOM 644 CA PRO A 44 -5.817 5.079 6.836 1.00 0.00 C ATOM 645 C PRO A 44 -6.951 4.309 6.157 1.00 0.00 C ATOM 646 O PRO A 44 -7.227 3.175 6.534 1.00 0.00 O ATOM 647 CB PRO A 44 -6.330 6.021 7.930 1.00 0.00 C ATOM 648 CG PRO A 44 -6.300 7.395 7.267 1.00 0.00 C ATOM 649 CD PRO A 44 -5.088 7.287 6.344 1.00 0.00 C ATOM 0 HA PRO A 44 -5.177 4.306 7.262 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -7.337 5.753 8.250 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.695 5.990 8.816 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.216 7.599 6.713 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.185 8.196 7.997 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.175 7.971 5.500 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.169 7.546 6.870 1.00 0.00 H new ATOM 657 N LEU A 45 -7.613 4.896 5.158 1.00 0.00 N ATOM 658 CA LEU A 45 -8.680 4.209 4.432 1.00 0.00 C ATOM 659 C LEU A 45 -8.098 2.982 3.725 1.00 0.00 C ATOM 660 O LEU A 45 -8.598 1.867 3.869 1.00 0.00 O ATOM 661 CB LEU A 45 -9.344 5.165 3.432 1.00 0.00 C ATOM 662 CG LEU A 45 -10.147 6.287 4.114 1.00 0.00 C ATOM 663 CD1 LEU A 45 -10.651 7.268 3.052 1.00 0.00 C ATOM 664 CD2 LEU A 45 -11.355 5.751 4.896 1.00 0.00 C ATOM 0 H LEU A 45 -7.428 5.845 4.834 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.448 3.879 5.131 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.577 5.609 2.798 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.007 4.596 2.780 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.478 6.779 4.820 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -11.220 8.064 3.533 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.801 7.699 2.522 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -11.291 6.741 2.344 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.887 6.582 5.358 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -12.024 5.225 4.216 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.012 5.065 5.670 1.00 0.00 H new ATOM 676 N PHE A 46 -7.012 3.187 2.980 1.00 0.00 N ATOM 677 CA PHE A 46 -6.288 2.118 2.315 1.00 0.00 C ATOM 678 C PHE A 46 -5.887 1.069 3.359 1.00 0.00 C ATOM 679 O PHE A 46 -6.073 -0.129 3.149 1.00 0.00 O ATOM 680 CB PHE A 46 -5.085 2.731 1.592 1.00 0.00 C ATOM 681 CG PHE A 46 -4.192 1.741 0.873 1.00 0.00 C ATOM 682 CD1 PHE A 46 -4.512 1.317 -0.430 1.00 0.00 C ATOM 683 CD2 PHE A 46 -3.004 1.295 1.483 1.00 0.00 C ATOM 684 CE1 PHE A 46 -3.621 0.489 -1.137 1.00 0.00 C ATOM 685 CE2 PHE A 46 -2.117 0.462 0.778 1.00 0.00 C ATOM 686 CZ PHE A 46 -2.417 0.073 -0.539 1.00 0.00 C ATOM 0 H PHE A 46 -6.611 4.112 2.823 1.00 0.00 H new ATOM 0 HA PHE A 46 -6.901 1.612 1.569 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -5.449 3.460 0.868 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -4.484 3.277 2.319 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.440 1.627 -0.887 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.773 1.593 2.495 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.862 0.172 -2.141 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.206 0.121 1.248 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.724 -0.545 -1.091 1.00 0.00 H new ATOM 696 N GLU A 47 -5.389 1.523 4.514 1.00 0.00 N ATOM 697 CA GLU A 47 -5.011 0.656 5.620 1.00 0.00 C ATOM 698 C GLU A 47 -6.227 -0.131 6.127 1.00 0.00 C ATOM 699 O GLU A 47 -6.107 -1.298 6.487 1.00 0.00 O ATOM 700 CB GLU A 47 -4.379 1.489 6.749 1.00 0.00 C ATOM 701 CG GLU A 47 -3.257 0.714 7.453 1.00 0.00 C ATOM 702 CD GLU A 47 -1.992 0.654 6.597 1.00 0.00 C ATOM 703 OE1 GLU A 47 -1.214 1.631 6.669 1.00 0.00 O ATOM 704 OE2 GLU A 47 -1.821 -0.361 5.890 1.00 0.00 O ATOM 0 H GLU A 47 -5.238 2.514 4.703 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.271 -0.064 5.269 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.981 2.418 6.340 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.145 1.763 7.474 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.029 1.189 8.407 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.596 -0.298 7.674 1.00 0.00 H new ATOM 711 N THR A 48 -7.410 0.488 6.157 1.00 0.00 N ATOM 712 CA THR A 48 -8.626 -0.189 6.579 1.00 0.00 C ATOM 713 C THR A 48 -8.884 -1.354 5.621 1.00 0.00 C ATOM 714 O THR A 48 -9.127 -2.469 6.074 1.00 0.00 O ATOM 715 CB THR A 48 -9.810 0.790 6.646 1.00 0.00 C ATOM 716 OG1 THR A 48 -9.484 1.883 7.482 1.00 0.00 O ATOM 717 CG2 THR A 48 -11.052 0.115 7.234 1.00 0.00 C ATOM 0 H THR A 48 -7.545 1.463 5.891 1.00 0.00 H new ATOM 0 HA THR A 48 -8.508 -0.583 7.588 1.00 0.00 H new ATOM 0 HB THR A 48 -10.017 1.123 5.629 1.00 0.00 H new ATOM 0 HG1 THR A 48 -8.753 2.397 7.079 1.00 0.00 H new ATOM 0 HG21 THR A 48 -11.873 0.831 7.269 1.00 0.00 H new ATOM 0 HG22 THR A 48 -11.336 -0.732 6.609 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.833 -0.235 8.243 1.00 0.00 H new ATOM 725 N LEU A 49 -8.800 -1.129 4.302 1.00 0.00 N ATOM 726 CA LEU A 49 -8.967 -2.227 3.346 1.00 0.00 C ATOM 727 C LEU A 49 -7.870 -3.271 3.586 1.00 0.00 C ATOM 728 O LEU A 49 -8.144 -4.469 3.614 1.00 0.00 O ATOM 729 CB LEU A 49 -8.941 -1.727 1.893 1.00 0.00 C ATOM 730 CG LEU A 49 -10.320 -1.257 1.402 1.00 0.00 C ATOM 731 CD1 LEU A 49 -10.877 -0.070 2.192 1.00 0.00 C ATOM 732 CD2 LEU A 49 -10.246 -0.874 -0.080 1.00 0.00 C ATOM 0 H LEU A 49 -8.621 -0.217 3.882 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.945 -2.682 3.504 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.230 -0.905 1.809 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.582 -2.526 1.245 1.00 0.00 H new ATOM 0 HG LEU A 49 -10.998 -2.096 1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -11.852 0.208 1.791 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -10.981 -0.348 3.241 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -10.195 0.776 2.107 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -11.227 -0.542 -0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -9.525 -0.068 -0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -9.933 -1.739 -0.664 1.00 0.00 H new ATOM 744 N SER A 50 -6.633 -2.819 3.792 1.00 0.00 N ATOM 745 CA SER A 50 -5.514 -3.707 4.089 1.00 0.00 C ATOM 746 C SER A 50 -5.895 -4.657 5.229 1.00 0.00 C ATOM 747 O SER A 50 -5.764 -5.872 5.105 1.00 0.00 O ATOM 748 CB SER A 50 -4.261 -2.904 4.458 1.00 0.00 C ATOM 749 OG SER A 50 -3.973 -1.894 3.511 1.00 0.00 O ATOM 0 H SER A 50 -6.381 -1.831 3.757 1.00 0.00 H new ATOM 0 HA SER A 50 -5.288 -4.292 3.197 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.399 -2.450 5.439 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.409 -3.579 4.536 1.00 0.00 H new ATOM 0 HG SER A 50 -4.410 -2.109 2.660 1.00 0.00 H new ATOM 755 N ASN A 51 -6.401 -4.094 6.330 1.00 0.00 N ATOM 756 CA ASN A 51 -6.831 -4.845 7.502 1.00 0.00 C ATOM 757 C ASN A 51 -8.059 -5.702 7.176 1.00 0.00 C ATOM 758 O ASN A 51 -8.202 -6.789 7.725 1.00 0.00 O ATOM 759 CB ASN A 51 -7.144 -3.867 8.644 1.00 0.00 C ATOM 760 CG ASN A 51 -7.124 -4.498 10.039 1.00 0.00 C ATOM 761 OD1 ASN A 51 -6.668 -3.867 10.986 1.00 0.00 O ATOM 762 ND2 ASN A 51 -7.601 -5.727 10.220 1.00 0.00 N ATOM 0 H ASN A 51 -6.523 -3.086 6.429 1.00 0.00 H new ATOM 0 HA ASN A 51 -6.029 -5.515 7.811 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.421 -3.052 8.617 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -8.126 -3.428 8.471 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.588 -6.147 11.149 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.980 -6.249 9.429 1.00 0.00 H new ATOM 769 N ASP A 52 -8.968 -5.210 6.329 1.00 0.00 N ATOM 770 CA ASP A 52 -10.172 -5.936 5.943 1.00 0.00 C ATOM 771 C ASP A 52 -9.804 -7.269 5.299 1.00 0.00 C ATOM 772 O ASP A 52 -10.351 -8.308 5.660 1.00 0.00 O ATOM 773 CB ASP A 52 -11.010 -5.096 4.971 1.00 0.00 C ATOM 774 CG ASP A 52 -12.301 -5.816 4.602 1.00 0.00 C ATOM 775 OD1 ASP A 52 -13.240 -5.753 5.424 1.00 0.00 O ATOM 776 OD2 ASP A 52 -12.325 -6.406 3.501 1.00 0.00 O ATOM 0 H ASP A 52 -8.885 -4.292 5.892 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.762 -6.131 6.839 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.243 -4.133 5.425 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.432 -4.892 4.069 1.00 0.00 H new ATOM 781 N TYR A 53 -8.864 -7.239 4.352 1.00 0.00 N ATOM 782 CA TYR A 53 -8.443 -8.444 3.659 1.00 0.00 C ATOM 783 C TYR A 53 -7.470 -9.241 4.538 1.00 0.00 C ATOM 784 O TYR A 53 -7.663 -10.441 4.726 1.00 0.00 O ATOM 785 CB TYR A 53 -7.819 -8.052 2.321 1.00 0.00 C ATOM 786 CG TYR A 53 -8.819 -7.721 1.227 1.00 0.00 C ATOM 787 CD1 TYR A 53 -9.273 -8.738 0.369 1.00 0.00 C ATOM 788 CD2 TYR A 53 -9.252 -6.398 1.023 1.00 0.00 C ATOM 789 CE1 TYR A 53 -10.097 -8.420 -0.722 1.00 0.00 C ATOM 790 CE2 TYR A 53 -10.064 -6.077 -0.080 1.00 0.00 C ATOM 791 CZ TYR A 53 -10.460 -7.087 -0.972 1.00 0.00 C ATOM 792 OH TYR A 53 -11.123 -6.764 -2.118 1.00 0.00 O ATOM 0 H TYR A 53 -8.384 -6.390 4.052 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.299 -9.089 3.461 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -7.172 -7.189 2.476 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -7.184 -8.869 1.979 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -8.988 -9.764 0.549 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -8.959 -5.624 1.717 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -10.454 -9.205 -1.373 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -10.382 -5.057 -0.240 1.00 0.00 H new ATOM 0 HH TYR A 53 -11.030 -7.493 -2.766 1.00 0.00 H new ATOM 802 N ALA A 54 -6.428 -8.582 5.058 1.00 0.00 N ATOM 803 CA ALA A 54 -5.417 -9.093 5.985 1.00 0.00 C ATOM 804 C ALA A 54 -4.558 -10.258 5.471 1.00 0.00 C ATOM 805 O ALA A 54 -3.336 -10.126 5.380 1.00 0.00 O ATOM 806 CB ALA A 54 -6.076 -9.489 7.312 1.00 0.00 C ATOM 0 H ALA A 54 -6.259 -7.604 4.823 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.720 -8.264 6.112 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.317 -9.868 7.996 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.559 -8.617 7.753 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.821 -10.264 7.131 1.00 0.00 H new ATOM 812 N GLY A 55 -5.187 -11.402 5.201 1.00 0.00 N ATOM 813 CA GLY A 55 -4.574 -12.684 4.881 1.00 0.00 C ATOM 814 C GLY A 55 -3.760 -12.727 3.586 1.00 0.00 C ATOM 815 O GLY A 55 -2.632 -12.240 3.539 1.00 0.00 O ATOM 0 H GLY A 55 -6.205 -11.457 5.201 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.923 -12.971 5.707 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.360 -13.436 4.819 1.00 0.00 H new ATOM 819 N LYS A 56 -4.303 -13.336 2.530 1.00 0.00 N ATOM 820 CA LYS A 56 -3.595 -13.596 1.281 1.00 0.00 C ATOM 821 C LYS A 56 -3.447 -12.347 0.397 1.00 0.00 C ATOM 822 O LYS A 56 -3.713 -12.404 -0.800 1.00 0.00 O ATOM 823 CB LYS A 56 -4.314 -14.750 0.554 1.00 0.00 C ATOM 824 CG LYS A 56 -5.781 -14.484 0.163 1.00 0.00 C ATOM 825 CD LYS A 56 -6.400 -15.665 -0.605 1.00 0.00 C ATOM 826 CE LYS A 56 -5.778 -15.919 -1.988 1.00 0.00 C ATOM 827 NZ LYS A 56 -5.984 -14.788 -2.909 1.00 0.00 N ATOM 0 H LYS A 56 -5.267 -13.668 2.522 1.00 0.00 H new ATOM 0 HA LYS A 56 -2.570 -13.886 1.509 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.754 -14.990 -0.350 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.282 -15.633 1.192 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.366 -14.291 1.062 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.834 -13.585 -0.451 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.298 -16.568 -0.003 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.468 -15.483 -0.728 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.710 -16.103 -1.875 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.213 -16.820 -2.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.562 -15.098 -3.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.472 -14.018 -2.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.063 -14.448 -3.253 1.00 0.00 H new ATOM 841 N VAL A 57 -2.996 -11.231 0.973 1.00 0.00 N ATOM 842 CA VAL A 57 -2.821 -9.952 0.294 1.00 0.00 C ATOM 843 C VAL A 57 -1.607 -9.210 0.854 1.00 0.00 C ATOM 844 O VAL A 57 -1.187 -9.488 1.981 1.00 0.00 O ATOM 845 CB VAL A 57 -4.076 -9.084 0.501 1.00 0.00 C ATOM 846 CG1 VAL A 57 -5.354 -9.759 -0.016 1.00 0.00 C ATOM 847 CG2 VAL A 57 -4.266 -8.719 1.983 1.00 0.00 C ATOM 0 H VAL A 57 -2.735 -11.195 1.958 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.666 -10.141 -0.768 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.909 -8.178 -0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.207 -9.103 0.156 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.256 -9.955 -1.084 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.508 -10.700 0.513 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.160 -8.106 2.095 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.375 -9.630 2.571 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.398 -8.162 2.335 1.00 0.00 H new ATOM 857 N ILE A 58 -1.066 -8.251 0.095 1.00 0.00 N ATOM 858 CA ILE A 58 0.006 -7.375 0.557 1.00 0.00 C ATOM 859 C ILE A 58 -0.376 -5.945 0.150 1.00 0.00 C ATOM 860 O ILE A 58 -0.602 -5.679 -1.027 1.00 0.00 O ATOM 861 CB ILE A 58 1.366 -7.840 -0.009 1.00 0.00 C ATOM 862 CG1 ILE A 58 1.847 -9.142 0.666 1.00 0.00 C ATOM 863 CG2 ILE A 58 2.438 -6.763 0.204 1.00 0.00 C ATOM 864 CD1 ILE A 58 1.474 -10.409 -0.111 1.00 0.00 C ATOM 0 H ILE A 58 -1.364 -8.063 -0.862 1.00 0.00 H new ATOM 0 HA ILE A 58 0.124 -7.410 1.640 1.00 0.00 H new ATOM 0 HB ILE A 58 1.219 -8.020 -1.074 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.930 -9.103 0.782 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.421 -9.201 1.668 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.388 -7.110 -0.202 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.139 -5.847 -0.305 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.549 -6.566 1.270 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.844 -11.285 0.422 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.390 -10.472 -0.205 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.923 -10.372 -1.104 1.00 0.00 H new ATOM 876 N PHE A 59 -0.484 -5.034 1.123 1.00 0.00 N ATOM 877 CA PHE A 59 -0.837 -3.631 0.923 1.00 0.00 C ATOM 878 C PHE A 59 0.286 -2.778 1.518 1.00 0.00 C ATOM 879 O PHE A 59 0.297 -2.493 2.714 1.00 0.00 O ATOM 880 CB PHE A 59 -2.166 -3.306 1.616 1.00 0.00 C ATOM 881 CG PHE A 59 -3.457 -3.707 0.917 1.00 0.00 C ATOM 882 CD1 PHE A 59 -3.840 -5.061 0.852 1.00 0.00 C ATOM 883 CD2 PHE A 59 -4.409 -2.710 0.621 1.00 0.00 C ATOM 884 CE1 PHE A 59 -5.171 -5.405 0.544 1.00 0.00 C ATOM 885 CE2 PHE A 59 -5.739 -3.054 0.329 1.00 0.00 C ATOM 886 CZ PHE A 59 -6.131 -4.402 0.338 1.00 0.00 C ATOM 0 H PHE A 59 -0.322 -5.264 2.103 1.00 0.00 H new ATOM 0 HA PHE A 59 -0.955 -3.423 -0.140 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.156 -3.783 2.596 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.199 -2.230 1.785 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.112 -5.837 1.039 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.113 -1.671 0.619 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.454 -6.444 0.466 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.459 -2.283 0.098 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.167 -4.666 0.187 1.00 0.00 H new ATOM 896 N LEU A 60 1.233 -2.365 0.679 1.00 0.00 N ATOM 897 CA LEU A 60 2.392 -1.585 1.069 1.00 0.00 C ATOM 898 C LEU A 60 2.049 -0.092 1.182 1.00 0.00 C ATOM 899 O LEU A 60 1.944 0.607 0.177 1.00 0.00 O ATOM 900 CB LEU A 60 3.503 -1.801 0.027 1.00 0.00 C ATOM 901 CG LEU A 60 3.943 -3.258 -0.175 1.00 0.00 C ATOM 902 CD1 LEU A 60 5.032 -3.326 -1.251 1.00 0.00 C ATOM 903 CD2 LEU A 60 4.487 -3.892 1.105 1.00 0.00 C ATOM 0 H LEU A 60 1.209 -2.573 -0.319 1.00 0.00 H new ATOM 0 HA LEU A 60 2.730 -1.916 2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.162 -1.406 -0.930 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.373 -1.214 0.322 1.00 0.00 H new ATOM 0 HG LEU A 60 3.056 -3.815 -0.478 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.341 -4.362 -1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.641 -2.934 -2.190 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.890 -2.730 -0.939 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.783 -4.922 0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.352 -3.327 1.452 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.714 -3.880 1.874 1.00 0.00 H new ATOM 915 N LYS A 61 1.879 0.420 2.400 1.00 0.00 N ATOM 916 CA LYS A 61 1.699 1.849 2.637 1.00 0.00 C ATOM 917 C LYS A 61 3.097 2.476 2.579 1.00 0.00 C ATOM 918 O LYS A 61 3.957 2.092 3.370 1.00 0.00 O ATOM 919 CB LYS A 61 0.993 2.038 3.990 1.00 0.00 C ATOM 920 CG LYS A 61 1.318 3.332 4.744 1.00 0.00 C ATOM 921 CD LYS A 61 0.970 4.625 3.998 1.00 0.00 C ATOM 922 CE LYS A 61 1.388 5.802 4.887 1.00 0.00 C ATOM 923 NZ LYS A 61 1.206 7.089 4.204 1.00 0.00 N ATOM 0 H LYS A 61 1.862 -0.145 3.249 1.00 0.00 H new ATOM 0 HA LYS A 61 1.069 2.338 1.894 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.084 1.999 3.824 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.248 1.194 4.631 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.784 3.324 5.694 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.383 3.341 4.977 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.489 4.666 3.040 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.098 4.668 3.784 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.801 5.791 5.805 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.433 5.687 5.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.302 7.863 4.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.927 7.193 3.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.260 7.123 3.774 1.00 0.00 H new ATOM 937 N VAL A 62 3.348 3.404 1.644 1.00 0.00 N ATOM 938 CA VAL A 62 4.657 4.014 1.444 1.00 0.00 C ATOM 939 C VAL A 62 4.536 5.532 1.235 1.00 0.00 C ATOM 940 O VAL A 62 3.548 6.039 0.703 1.00 0.00 O ATOM 941 CB VAL A 62 5.358 3.296 0.268 1.00 0.00 C ATOM 942 CG1 VAL A 62 6.679 3.970 -0.125 1.00 0.00 C ATOM 943 CG2 VAL A 62 5.656 1.842 0.672 1.00 0.00 C ATOM 0 H VAL A 62 2.636 3.751 1.002 1.00 0.00 H new ATOM 0 HA VAL A 62 5.271 3.891 2.336 1.00 0.00 H new ATOM 0 HB VAL A 62 4.686 3.342 -0.589 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.131 3.427 -0.955 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.487 5.000 -0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.359 3.962 0.727 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.151 1.329 -0.153 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.306 1.833 1.547 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.722 1.332 0.909 1.00 0.00 H new ATOM 953 N ASP A 63 5.564 6.259 1.688 1.00 0.00 N ATOM 954 CA ASP A 63 5.673 7.708 1.608 1.00 0.00 C ATOM 955 C ASP A 63 6.787 8.075 0.624 1.00 0.00 C ATOM 956 O ASP A 63 7.965 7.839 0.914 1.00 0.00 O ATOM 957 CB ASP A 63 5.975 8.263 3.006 1.00 0.00 C ATOM 958 CG ASP A 63 6.290 9.755 2.992 1.00 0.00 C ATOM 959 OD1 ASP A 63 5.971 10.411 1.977 1.00 0.00 O ATOM 960 OD2 ASP A 63 6.868 10.213 3.999 1.00 0.00 O ATOM 0 H ASP A 63 6.373 5.830 2.138 1.00 0.00 H new ATOM 0 HA ASP A 63 4.738 8.142 1.252 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.119 8.083 3.657 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.819 7.722 3.433 1.00 0.00 H new ATOM 965 N VAL A 64 6.433 8.680 -0.514 1.00 0.00 N ATOM 966 CA VAL A 64 7.407 9.088 -1.522 1.00 0.00 C ATOM 967 C VAL A 64 8.406 10.089 -0.943 1.00 0.00 C ATOM 968 O VAL A 64 9.560 10.114 -1.363 1.00 0.00 O ATOM 969 CB VAL A 64 6.718 9.682 -2.767 1.00 0.00 C ATOM 970 CG1 VAL A 64 5.707 8.702 -3.369 1.00 0.00 C ATOM 971 CG2 VAL A 64 6.046 11.042 -2.534 1.00 0.00 C ATOM 0 H VAL A 64 5.467 8.898 -0.758 1.00 0.00 H new ATOM 0 HA VAL A 64 7.948 8.193 -1.830 1.00 0.00 H new ATOM 0 HB VAL A 64 7.530 9.855 -3.473 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.240 9.153 -4.245 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.219 7.785 -3.662 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.941 8.469 -2.629 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.587 11.385 -3.461 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.280 10.942 -1.765 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.793 11.766 -2.210 1.00 0.00 H new ATOM 981 N ASP A 65 7.970 10.908 0.022 1.00 0.00 N ATOM 982 CA ASP A 65 8.830 11.910 0.639 1.00 0.00 C ATOM 983 C ASP A 65 9.991 11.213 1.343 1.00 0.00 C ATOM 984 O ASP A 65 11.098 11.744 1.388 1.00 0.00 O ATOM 985 CB ASP A 65 8.044 12.769 1.637 1.00 0.00 C ATOM 986 CG ASP A 65 6.781 13.375 1.039 1.00 0.00 C ATOM 987 OD1 ASP A 65 6.793 13.669 -0.178 1.00 0.00 O ATOM 988 OD2 ASP A 65 5.819 13.557 1.817 1.00 0.00 O ATOM 0 H ASP A 65 7.019 10.891 0.390 1.00 0.00 H new ATOM 0 HA ASP A 65 9.216 12.569 -0.138 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.774 12.159 2.499 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.686 13.570 2.002 1.00 0.00 H new ATOM 993 N ALA A 66 9.730 10.027 1.904 1.00 0.00 N ATOM 994 CA ALA A 66 10.740 9.238 2.576 1.00 0.00 C ATOM 995 C ALA A 66 11.525 8.447 1.533 1.00 0.00 C ATOM 996 O ALA A 66 12.707 8.707 1.314 1.00 0.00 O ATOM 997 CB ALA A 66 10.078 8.319 3.609 1.00 0.00 C ATOM 0 H ALA A 66 8.806 9.596 1.899 1.00 0.00 H new ATOM 0 HA ALA A 66 11.435 9.885 3.111 1.00 0.00 H new ATOM 0 HB1 ALA A 66 10.842 7.727 4.112 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.544 8.922 4.343 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.376 7.653 3.107 1.00 0.00 H new ATOM 1003 N VAL A 67 10.880 7.490 0.855 1.00 0.00 N ATOM 1004 CA VAL A 67 11.598 6.646 -0.095 1.00 0.00 C ATOM 1005 C VAL A 67 11.684 7.293 -1.474 1.00 0.00 C ATOM 1006 O VAL A 67 11.221 6.730 -2.467 1.00 0.00 O ATOM 1007 CB VAL A 67 11.023 5.228 -0.135 1.00 0.00 C ATOM 1008 CG1 VAL A 67 11.278 4.543 1.211 1.00 0.00 C ATOM 1009 CG2 VAL A 67 9.540 5.164 -0.495 1.00 0.00 C ATOM 0 H VAL A 67 9.885 7.287 0.946 1.00 0.00 H new ATOM 0 HA VAL A 67 12.625 6.550 0.258 1.00 0.00 H new ATOM 0 HB VAL A 67 11.538 4.703 -0.939 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.870 3.532 1.188 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.351 4.497 1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.795 5.111 2.006 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.212 4.125 -0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.962 5.722 0.242 1.00 0.00 H new ATOM 0 HG23 VAL A 67 9.386 5.599 -1.482 1.00 0.00 H new ATOM 1019 N ALA A 68 12.359 8.442 -1.540 1.00 0.00 N ATOM 1020 CA ALA A 68 12.581 9.163 -2.787 1.00 0.00 C ATOM 1021 C ALA A 68 13.118 8.212 -3.865 1.00 0.00 C ATOM 1022 O ALA A 68 12.663 8.244 -5.004 1.00 0.00 O ATOM 1023 CB ALA A 68 13.557 10.315 -2.538 1.00 0.00 C ATOM 0 H ALA A 68 12.768 8.898 -0.724 1.00 0.00 H new ATOM 0 HA ALA A 68 11.636 9.572 -3.144 1.00 0.00 H new ATOM 0 HB1 ALA A 68 13.726 10.857 -3.469 1.00 0.00 H new ATOM 0 HB2 ALA A 68 13.138 10.993 -1.794 1.00 0.00 H new ATOM 0 HB3 ALA A 68 14.504 9.917 -2.173 1.00 0.00 H new ATOM 1029 N ALA A 69 14.066 7.347 -3.486 1.00 0.00 N ATOM 1030 CA ALA A 69 14.678 6.362 -4.370 1.00 0.00 C ATOM 1031 C ALA A 69 13.632 5.415 -4.976 1.00 0.00 C ATOM 1032 O ALA A 69 13.538 5.293 -6.194 1.00 0.00 O ATOM 1033 CB ALA A 69 15.729 5.571 -3.586 1.00 0.00 C ATOM 0 H ALA A 69 14.433 7.316 -2.535 1.00 0.00 H new ATOM 0 HA ALA A 69 15.153 6.886 -5.199 1.00 0.00 H new ATOM 0 HB1 ALA A 69 16.191 4.832 -4.241 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.493 6.253 -3.212 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.252 5.064 -2.747 1.00 0.00 H new ATOM 1039 N VAL A 70 12.845 4.732 -4.137 1.00 0.00 N ATOM 1040 CA VAL A 70 11.843 3.793 -4.636 1.00 0.00 C ATOM 1041 C VAL A 70 10.828 4.561 -5.481 1.00 0.00 C ATOM 1042 O VAL A 70 10.441 4.108 -6.555 1.00 0.00 O ATOM 1043 CB VAL A 70 11.154 3.040 -3.484 1.00 0.00 C ATOM 1044 CG1 VAL A 70 10.196 1.970 -4.032 1.00 0.00 C ATOM 1045 CG2 VAL A 70 12.178 2.322 -2.597 1.00 0.00 C ATOM 0 H VAL A 70 12.884 4.812 -3.121 1.00 0.00 H new ATOM 0 HA VAL A 70 12.333 3.039 -5.253 1.00 0.00 H new ATOM 0 HB VAL A 70 10.611 3.785 -2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.719 1.449 -3.202 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.433 2.446 -4.648 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.756 1.255 -4.635 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.660 1.800 -1.793 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.737 1.603 -3.196 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.866 3.052 -2.171 1.00 0.00 H new ATOM 1055 N ALA A 71 10.406 5.730 -4.997 1.00 0.00 N ATOM 1056 CA ALA A 71 9.445 6.570 -5.691 1.00 0.00 C ATOM 1057 C ALA A 71 9.925 6.897 -7.110 1.00 0.00 C ATOM 1058 O ALA A 71 9.205 6.633 -8.072 1.00 0.00 O ATOM 1059 CB ALA A 71 9.199 7.846 -4.883 1.00 0.00 C ATOM 0 H ALA A 71 10.726 6.117 -4.109 1.00 0.00 H new ATOM 0 HA ALA A 71 8.504 6.028 -5.784 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.478 8.474 -5.406 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.807 7.584 -3.900 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.137 8.390 -4.767 1.00 0.00 H new ATOM 1065 N GLU A 72 11.131 7.460 -7.267 1.00 0.00 N ATOM 1066 CA GLU A 72 11.620 7.803 -8.597 1.00 0.00 C ATOM 1067 C GLU A 72 11.848 6.530 -9.418 1.00 0.00 C ATOM 1068 O GLU A 72 11.490 6.500 -10.592 1.00 0.00 O ATOM 1069 CB GLU A 72 12.852 8.723 -8.518 1.00 0.00 C ATOM 1070 CG GLU A 72 14.132 8.119 -7.917 1.00 0.00 C ATOM 1071 CD GLU A 72 14.918 7.204 -8.856 1.00 0.00 C ATOM 1072 OE1 GLU A 72 14.828 7.418 -10.084 1.00 0.00 O ATOM 1073 OE2 GLU A 72 15.610 6.310 -8.322 1.00 0.00 O ATOM 0 H GLU A 72 11.770 7.681 -6.503 1.00 0.00 H new ATOM 0 HA GLU A 72 10.862 8.382 -9.125 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.081 9.071 -9.525 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.583 9.601 -7.931 1.00 0.00 H new ATOM 0 HG2 GLU A 72 14.784 8.932 -7.597 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.865 7.554 -7.024 1.00 0.00 H new ATOM 1080 N ALA A 73 12.382 5.463 -8.812 1.00 0.00 N ATOM 1081 CA ALA A 73 12.598 4.202 -9.516 1.00 0.00 C ATOM 1082 C ALA A 73 11.277 3.680 -10.092 1.00 0.00 C ATOM 1083 O ALA A 73 11.233 3.216 -11.228 1.00 0.00 O ATOM 1084 CB ALA A 73 13.224 3.176 -8.566 1.00 0.00 C ATOM 0 H ALA A 73 12.672 5.452 -7.834 1.00 0.00 H new ATOM 0 HA ALA A 73 13.285 4.370 -10.346 1.00 0.00 H new ATOM 0 HB1 ALA A 73 13.383 2.238 -9.097 1.00 0.00 H new ATOM 0 HB2 ALA A 73 14.180 3.553 -8.202 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.556 3.007 -7.722 1.00 0.00 H new ATOM 1090 N ALA A 74 10.194 3.774 -9.316 1.00 0.00 N ATOM 1091 CA ALA A 74 8.857 3.367 -9.731 1.00 0.00 C ATOM 1092 C ALA A 74 8.178 4.442 -10.598 1.00 0.00 C ATOM 1093 O ALA A 74 7.019 4.282 -10.973 1.00 0.00 O ATOM 1094 CB ALA A 74 8.030 3.053 -8.479 1.00 0.00 C ATOM 0 H ALA A 74 10.227 4.142 -8.365 1.00 0.00 H new ATOM 0 HA ALA A 74 8.930 2.474 -10.352 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.026 2.747 -8.773 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.506 2.247 -7.921 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.969 3.942 -7.851 1.00 0.00 H new ATOM 1100 N GLY A 75 8.870 5.538 -10.922 1.00 0.00 N ATOM 1101 CA GLY A 75 8.355 6.606 -11.765 1.00 0.00 C ATOM 1102 C GLY A 75 7.151 7.313 -11.148 1.00 0.00 C ATOM 1103 O GLY A 75 6.269 7.776 -11.873 1.00 0.00 O ATOM 0 H GLY A 75 9.822 5.705 -10.596 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.146 7.334 -11.946 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.073 6.195 -12.734 1.00 0.00 H new ATOM 1107 N ILE A 76 7.099 7.422 -9.818 1.00 0.00 N ATOM 1108 CA ILE A 76 5.993 8.113 -9.173 1.00 0.00 C ATOM 1109 C ILE A 76 6.153 9.606 -9.431 1.00 0.00 C ATOM 1110 O ILE A 76 7.246 10.158 -9.316 1.00 0.00 O ATOM 1111 CB ILE A 76 5.921 7.807 -7.668 1.00 0.00 C ATOM 1112 CG1 ILE A 76 5.898 6.297 -7.393 1.00 0.00 C ATOM 1113 CG2 ILE A 76 4.668 8.465 -7.075 1.00 0.00 C ATOM 1114 CD1 ILE A 76 4.720 5.545 -8.016 1.00 0.00 C ATOM 0 H ILE A 76 7.800 7.045 -9.180 1.00 0.00 H new ATOM 0 HA ILE A 76 5.051 7.761 -9.594 1.00 0.00 H new ATOM 0 HB ILE A 76 6.816 8.213 -7.197 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.825 5.861 -7.764 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.881 6.139 -6.315 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.614 8.250 -6.008 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.718 9.543 -7.226 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.781 8.070 -7.570 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.791 4.486 -7.766 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.785 5.947 -7.627 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.744 5.665 -9.099 1.00 0.00 H new ATOM 1126 N THR A 77 5.043 10.241 -9.797 1.00 0.00 N ATOM 1127 CA THR A 77 4.965 11.653 -10.129 1.00 0.00 C ATOM 1128 C THR A 77 3.717 12.232 -9.471 1.00 0.00 C ATOM 1129 O THR A 77 3.798 12.994 -8.512 1.00 0.00 O ATOM 1130 CB THR A 77 4.911 11.799 -11.657 1.00 0.00 C ATOM 1131 OG1 THR A 77 3.991 10.859 -12.184 1.00 0.00 O ATOM 1132 CG2 THR A 77 6.283 11.555 -12.293 1.00 0.00 C ATOM 0 H THR A 77 4.143 9.766 -9.872 1.00 0.00 H new ATOM 0 HA THR A 77 5.837 12.195 -9.764 1.00 0.00 H new ATOM 0 HB THR A 77 4.599 12.817 -11.888 1.00 0.00 H new ATOM 0 HG1 THR A 77 3.952 10.950 -13.159 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.208 11.666 -13.375 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.999 12.278 -11.903 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.620 10.546 -12.055 1.00 0.00 H new ATOM 1140 N ALA A 78 2.548 11.841 -9.979 1.00 0.00 N ATOM 1141 CA ALA A 78 1.259 12.301 -9.488 1.00 0.00 C ATOM 1142 C ALA A 78 0.889 11.619 -8.164 1.00 0.00 C ATOM 1143 O ALA A 78 -0.104 10.895 -8.090 1.00 0.00 O ATOM 1144 CB ALA A 78 0.208 12.039 -10.573 1.00 0.00 C ATOM 0 H ALA A 78 2.474 11.185 -10.756 1.00 0.00 H new ATOM 0 HA ALA A 78 1.305 13.370 -9.279 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.768 12.377 -10.224 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.477 12.582 -11.479 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.166 10.971 -10.788 1.00 0.00 H new ATOM 1150 N MET A 79 1.685 11.826 -7.108 1.00 0.00 N ATOM 1151 CA MET A 79 1.347 11.276 -5.802 1.00 0.00 C ATOM 1152 C MET A 79 0.063 11.977 -5.302 1.00 0.00 C ATOM 1153 O MET A 79 -0.103 13.171 -5.546 1.00 0.00 O ATOM 1154 CB MET A 79 2.523 11.387 -4.813 1.00 0.00 C ATOM 1155 CG MET A 79 2.864 12.789 -4.285 1.00 0.00 C ATOM 1156 SD MET A 79 3.712 13.926 -5.412 1.00 0.00 S ATOM 1157 CE MET A 79 2.363 14.995 -5.961 1.00 0.00 C ATOM 0 H MET A 79 2.552 12.362 -7.136 1.00 0.00 H new ATOM 0 HA MET A 79 1.152 10.207 -5.884 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.307 10.747 -3.958 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.412 10.983 -5.298 1.00 0.00 H new ATOM 0 HG2 MET A 79 1.936 13.263 -3.965 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.484 12.672 -3.396 1.00 0.00 H new ATOM 0 HE1 MET A 79 2.773 15.925 -6.355 1.00 0.00 H new ATOM 0 HE2 MET A 79 1.793 14.490 -6.741 1.00 0.00 H new ATOM 0 HE3 MET A 79 1.707 15.215 -5.118 1.00 0.00 H new ATOM 1167 N PRO A 80 -0.856 11.284 -4.611 1.00 0.00 N ATOM 1168 CA PRO A 80 -0.782 9.884 -4.247 1.00 0.00 C ATOM 1169 C PRO A 80 -0.995 8.997 -5.474 1.00 0.00 C ATOM 1170 O PRO A 80 -1.848 9.273 -6.315 1.00 0.00 O ATOM 1171 CB PRO A 80 -1.866 9.682 -3.189 1.00 0.00 C ATOM 1172 CG PRO A 80 -2.928 10.705 -3.587 1.00 0.00 C ATOM 1173 CD PRO A 80 -2.097 11.870 -4.132 1.00 0.00 C ATOM 0 HA PRO A 80 0.196 9.608 -3.854 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.259 8.666 -3.203 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -1.487 9.864 -2.183 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -3.609 10.308 -4.340 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -3.537 11.007 -2.735 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.623 12.382 -4.937 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -1.905 12.610 -3.355 1.00 0.00 H new ATOM 1181 N THR A 81 -0.173 7.956 -5.591 1.00 0.00 N ATOM 1182 CA THR A 81 -0.200 7.009 -6.689 1.00 0.00 C ATOM 1183 C THR A 81 -0.306 5.604 -6.108 1.00 0.00 C ATOM 1184 O THR A 81 0.465 5.217 -5.231 1.00 0.00 O ATOM 1185 CB THR A 81 1.062 7.187 -7.543 1.00 0.00 C ATOM 1186 OG1 THR A 81 1.025 8.417 -8.241 1.00 0.00 O ATOM 1187 CG2 THR A 81 1.202 6.076 -8.586 1.00 0.00 C ATOM 0 H THR A 81 0.549 7.748 -4.901 1.00 0.00 H new ATOM 0 HA THR A 81 -1.060 7.179 -7.337 1.00 0.00 H new ATOM 0 HB THR A 81 1.906 7.156 -6.854 1.00 0.00 H new ATOM 0 HG1 THR A 81 0.441 9.045 -7.766 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.108 6.238 -9.170 1.00 0.00 H new ATOM 0 HG22 THR A 81 1.262 5.111 -8.083 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.336 6.087 -9.248 1.00 0.00 H new ATOM 1195 N PHE A 82 -1.265 4.845 -6.624 1.00 0.00 N ATOM 1196 CA PHE A 82 -1.576 3.486 -6.244 1.00 0.00 C ATOM 1197 C PHE A 82 -1.094 2.589 -7.375 1.00 0.00 C ATOM 1198 O PHE A 82 -1.403 2.855 -8.534 1.00 0.00 O ATOM 1199 CB PHE A 82 -3.085 3.398 -6.014 1.00 0.00 C ATOM 1200 CG PHE A 82 -3.507 4.274 -4.854 1.00 0.00 C ATOM 1201 CD1 PHE A 82 -3.362 3.795 -3.540 1.00 0.00 C ATOM 1202 CD2 PHE A 82 -3.796 5.637 -5.072 1.00 0.00 C ATOM 1203 CE1 PHE A 82 -3.503 4.673 -2.454 1.00 0.00 C ATOM 1204 CE2 PHE A 82 -3.934 6.513 -3.985 1.00 0.00 C ATOM 1205 CZ PHE A 82 -3.742 6.039 -2.677 1.00 0.00 C ATOM 0 H PHE A 82 -1.879 5.189 -7.362 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.086 3.170 -5.323 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -3.613 3.704 -6.917 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.367 2.364 -5.815 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.142 2.752 -3.366 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.912 6.008 -6.080 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.428 4.297 -1.444 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.187 7.549 -4.154 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.778 6.724 -1.843 1.00 0.00 H new ATOM 1215 N HIS A 83 -0.308 1.566 -7.045 1.00 0.00 N ATOM 1216 CA HIS A 83 0.284 0.633 -7.997 1.00 0.00 C ATOM 1217 C HIS A 83 -0.042 -0.794 -7.559 1.00 0.00 C ATOM 1218 O HIS A 83 -0.178 -1.043 -6.362 1.00 0.00 O ATOM 1219 CB HIS A 83 1.806 0.806 -7.984 1.00 0.00 C ATOM 1220 CG HIS A 83 2.443 1.767 -8.947 1.00 0.00 C ATOM 1221 ND1 HIS A 83 3.813 1.683 -9.192 1.00 0.00 N ATOM 1222 CD2 HIS A 83 1.942 2.867 -9.590 1.00 0.00 C ATOM 1223 CE1 HIS A 83 4.076 2.711 -10.001 1.00 0.00 C ATOM 1224 NE2 HIS A 83 2.986 3.442 -10.284 1.00 0.00 N ATOM 0 H HIS A 83 -0.059 1.359 -6.078 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.110 0.824 -8.995 1.00 0.00 H new ATOM 0 HB2 HIS A 83 2.093 1.112 -6.978 1.00 0.00 H new ATOM 0 HB3 HIS A 83 2.249 -0.175 -8.158 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.921 3.218 -9.560 1.00 0.00 H new ATOM 0 HE1 HIS A 83 5.060 2.931 -10.387 1.00 0.00 H new ATOM 0 HE2 HIS A 83 2.939 4.260 -10.892 1.00 0.00 H new ATOM 1232 N VAL A 84 -0.135 -1.725 -8.512 1.00 0.00 N ATOM 1233 CA VAL A 84 -0.356 -3.145 -8.270 1.00 0.00 C ATOM 1234 C VAL A 84 0.711 -3.919 -9.046 1.00 0.00 C ATOM 1235 O VAL A 84 0.983 -3.567 -10.195 1.00 0.00 O ATOM 1236 CB VAL A 84 -1.770 -3.556 -8.719 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -2.051 -4.976 -8.219 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -2.858 -2.615 -8.185 1.00 0.00 C ATOM 0 H VAL A 84 -0.055 -1.499 -9.504 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.280 -3.367 -7.206 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.799 -3.503 -9.807 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.050 -5.280 -8.530 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.315 -5.662 -8.639 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.987 -4.998 -7.131 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.834 -2.953 -8.533 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.840 -2.619 -7.095 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.674 -1.603 -8.547 1.00 0.00 H new ATOM 1248 N TYR A 85 1.306 -4.967 -8.458 1.00 0.00 N ATOM 1249 CA TYR A 85 2.370 -5.732 -9.119 1.00 0.00 C ATOM 1250 C TYR A 85 2.080 -7.235 -9.071 1.00 0.00 C ATOM 1251 O TYR A 85 2.926 -8.025 -8.657 1.00 0.00 O ATOM 1252 CB TYR A 85 3.737 -5.399 -8.493 1.00 0.00 C ATOM 1253 CG TYR A 85 4.266 -4.000 -8.746 1.00 0.00 C ATOM 1254 CD1 TYR A 85 3.897 -2.938 -7.900 1.00 0.00 C ATOM 1255 CD2 TYR A 85 5.260 -3.796 -9.722 1.00 0.00 C ATOM 1256 CE1 TYR A 85 4.477 -1.668 -8.074 1.00 0.00 C ATOM 1257 CE2 TYR A 85 5.812 -2.518 -9.915 1.00 0.00 C ATOM 1258 CZ TYR A 85 5.385 -1.444 -9.120 1.00 0.00 C ATOM 1259 OH TYR A 85 5.845 -0.189 -9.376 1.00 0.00 O ATOM 0 H TYR A 85 1.067 -5.303 -7.525 1.00 0.00 H new ATOM 0 HA TYR A 85 2.401 -5.443 -10.170 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.666 -5.549 -7.416 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.469 -6.115 -8.867 1.00 0.00 H new ATOM 0 HD1 TYR A 85 3.169 -3.098 -7.118 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.600 -4.625 -10.325 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.223 -0.863 -7.400 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.564 -2.363 -10.674 1.00 0.00 H new ATOM 0 HH TYR A 85 5.177 0.469 -9.091 1.00 0.00 H new ATOM 1269 N LYS A 86 0.875 -7.652 -9.478 1.00 0.00 N ATOM 1270 CA LYS A 86 0.588 -9.080 -9.584 1.00 0.00 C ATOM 1271 C LYS A 86 1.503 -9.671 -10.663 1.00 0.00 C ATOM 1272 O LYS A 86 1.954 -8.943 -11.546 1.00 0.00 O ATOM 1273 CB LYS A 86 -0.892 -9.325 -9.902 1.00 0.00 C ATOM 1274 CG LYS A 86 -1.752 -9.033 -8.667 1.00 0.00 C ATOM 1275 CD LYS A 86 -3.241 -9.347 -8.884 1.00 0.00 C ATOM 1276 CE LYS A 86 -3.528 -10.826 -9.182 1.00 0.00 C ATOM 1277 NZ LYS A 86 -2.969 -11.721 -8.155 1.00 0.00 N ATOM 0 H LYS A 86 0.103 -7.036 -9.733 1.00 0.00 H new ATOM 0 HA LYS A 86 0.783 -9.572 -8.631 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.204 -8.689 -10.730 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.037 -10.357 -10.220 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.381 -9.619 -7.826 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.644 -7.983 -8.396 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.798 -9.051 -7.995 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.613 -8.741 -9.710 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.605 -10.979 -9.247 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.110 -11.086 -10.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.182 -12.266 -8.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.622 -11.156 -7.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.708 -12.374 -7.824 1.00 0.00 H new ATOM 1291 N ASP A 87 1.799 -10.972 -10.579 1.00 0.00 N ATOM 1292 CA ASP A 87 2.733 -11.714 -11.433 1.00 0.00 C ATOM 1293 C ASP A 87 4.164 -11.354 -11.044 1.00 0.00 C ATOM 1294 O ASP A 87 4.955 -12.213 -10.665 1.00 0.00 O ATOM 1295 CB ASP A 87 2.498 -11.451 -12.927 1.00 0.00 C ATOM 1296 CG ASP A 87 3.398 -12.337 -13.776 1.00 0.00 C ATOM 1297 OD1 ASP A 87 3.013 -13.508 -13.984 1.00 0.00 O ATOM 1298 OD2 ASP A 87 4.458 -11.823 -14.197 1.00 0.00 O ATOM 0 H ASP A 87 1.369 -11.570 -9.873 1.00 0.00 H new ATOM 0 HA ASP A 87 2.560 -12.778 -11.274 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.454 -11.641 -13.175 1.00 0.00 H new ATOM 0 HB3 ASP A 87 2.694 -10.403 -13.152 1.00 0.00 H new ATOM 1303 N GLY A 88 4.473 -10.063 -11.128 1.00 0.00 N ATOM 1304 CA GLY A 88 5.756 -9.491 -10.761 1.00 0.00 C ATOM 1305 C GLY A 88 5.868 -8.092 -11.345 1.00 0.00 C ATOM 1306 O GLY A 88 6.234 -7.140 -10.658 1.00 0.00 O ATOM 0 H GLY A 88 3.810 -9.365 -11.466 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.853 -9.453 -9.676 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.566 -10.118 -11.132 1.00 0.00 H new ATOM 1310 N VAL A 89 5.555 -7.972 -12.635 1.00 0.00 N ATOM 1311 CA VAL A 89 5.577 -6.701 -13.338 1.00 0.00 C ATOM 1312 C VAL A 89 4.424 -5.816 -12.853 1.00 0.00 C ATOM 1313 O VAL A 89 3.435 -6.310 -12.319 1.00 0.00 O ATOM 1314 CB VAL A 89 5.521 -6.970 -14.856 1.00 0.00 C ATOM 1315 CG1 VAL A 89 4.194 -7.605 -15.300 1.00 0.00 C ATOM 1316 CG2 VAL A 89 5.779 -5.703 -15.681 1.00 0.00 C ATOM 0 H VAL A 89 5.278 -8.761 -13.220 1.00 0.00 H new ATOM 0 HA VAL A 89 6.499 -6.160 -13.127 1.00 0.00 H new ATOM 0 HB VAL A 89 6.322 -7.684 -15.047 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.213 -7.771 -16.377 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.057 -8.558 -14.788 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.370 -6.937 -15.050 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.729 -5.944 -16.743 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.024 -4.954 -15.443 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.768 -5.310 -15.444 1.00 0.00 H new ATOM 1326 N LYS A 90 4.567 -4.500 -13.030 1.00 0.00 N ATOM 1327 CA LYS A 90 3.543 -3.515 -12.714 1.00 0.00 C ATOM 1328 C LYS A 90 2.278 -3.897 -13.493 1.00 0.00 C ATOM 1329 O LYS A 90 2.229 -3.749 -14.712 1.00 0.00 O ATOM 1330 CB LYS A 90 4.089 -2.129 -13.082 1.00 0.00 C ATOM 1331 CG LYS A 90 3.240 -0.989 -12.515 1.00 0.00 C ATOM 1332 CD LYS A 90 3.978 0.354 -12.633 1.00 0.00 C ATOM 1333 CE LYS A 90 4.373 0.724 -14.068 1.00 0.00 C ATOM 1334 NZ LYS A 90 3.223 0.659 -14.988 1.00 0.00 N ATOM 0 H LYS A 90 5.420 -4.086 -13.406 1.00 0.00 H new ATOM 0 HA LYS A 90 3.285 -3.490 -11.655 1.00 0.00 H new ATOM 0 HB2 LYS A 90 5.110 -2.035 -12.711 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.134 -2.037 -14.167 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.292 -0.936 -13.049 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.006 -1.190 -11.469 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.344 1.142 -12.227 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.877 0.319 -12.017 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.792 1.730 -14.081 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.155 0.048 -14.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.440 1.193 -15.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.030 -0.333 -15.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.386 1.071 -14.528 1.00 0.00 H new ATOM 1348 N ALA A 91 1.280 -4.428 -12.788 1.00 0.00 N ATOM 1349 CA ALA A 91 0.075 -4.988 -13.376 1.00 0.00 C ATOM 1350 C ALA A 91 -0.963 -3.922 -13.695 1.00 0.00 C ATOM 1351 O ALA A 91 -1.613 -3.984 -14.735 1.00 0.00 O ATOM 1352 CB ALA A 91 -0.504 -6.028 -12.413 1.00 0.00 C ATOM 0 H ALA A 91 1.292 -4.480 -11.769 1.00 0.00 H new ATOM 0 HA ALA A 91 0.341 -5.456 -14.324 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.410 -6.457 -12.842 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.228 -6.818 -12.247 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.744 -5.551 -11.463 1.00 0.00 H new ATOM 1358 N ASP A 92 -1.152 -2.970 -12.782 1.00 0.00 N ATOM 1359 CA ASP A 92 -2.155 -1.921 -12.921 1.00 0.00 C ATOM 1360 C ASP A 92 -1.773 -0.767 -12.000 1.00 0.00 C ATOM 1361 O ASP A 92 -1.067 -0.998 -11.019 1.00 0.00 O ATOM 1362 CB ASP A 92 -3.524 -2.507 -12.553 1.00 0.00 C ATOM 1363 CG ASP A 92 -4.712 -1.631 -12.932 1.00 0.00 C ATOM 1364 OD1 ASP A 92 -4.488 -0.534 -13.487 1.00 0.00 O ATOM 1365 OD2 ASP A 92 -5.839 -2.106 -12.665 1.00 0.00 O ATOM 0 H ASP A 92 -0.609 -2.907 -11.921 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.205 -1.546 -13.943 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -3.633 -3.475 -13.041 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -3.550 -2.687 -11.478 1.00 0.00 H new ATOM 1370 N ASP A 93 -2.234 0.449 -12.312 1.00 0.00 N ATOM 1371 CA ASP A 93 -1.927 1.664 -11.567 1.00 0.00 C ATOM 1372 C ASP A 93 -3.155 2.567 -11.509 1.00 0.00 C ATOM 1373 O ASP A 93 -4.080 2.418 -12.303 1.00 0.00 O ATOM 1374 CB ASP A 93 -0.793 2.453 -12.240 1.00 0.00 C ATOM 1375 CG ASP A 93 0.478 1.650 -12.480 1.00 0.00 C ATOM 1376 OD1 ASP A 93 0.903 0.941 -11.545 1.00 0.00 O ATOM 1377 OD2 ASP A 93 1.023 1.782 -13.597 1.00 0.00 O ATOM 0 H ASP A 93 -2.846 0.614 -13.111 1.00 0.00 H new ATOM 0 HA ASP A 93 -1.621 1.365 -10.564 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -1.151 2.836 -13.195 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -0.551 3.317 -11.621 1.00 0.00 H new ATOM 1382 N LEU A 94 -3.131 3.536 -10.592 1.00 0.00 N ATOM 1383 CA LEU A 94 -4.194 4.500 -10.366 1.00 0.00 C ATOM 1384 C LEU A 94 -3.584 5.722 -9.680 1.00 0.00 C ATOM 1385 O LEU A 94 -3.075 5.608 -8.571 1.00 0.00 O ATOM 1386 CB LEU A 94 -5.278 3.807 -9.528 1.00 0.00 C ATOM 1387 CG LEU A 94 -6.440 4.663 -9.019 1.00 0.00 C ATOM 1388 CD1 LEU A 94 -6.159 5.404 -7.708 1.00 0.00 C ATOM 1389 CD2 LEU A 94 -6.917 5.618 -10.117 1.00 0.00 C ATOM 0 H LEU A 94 -2.337 3.671 -9.966 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.661 4.847 -11.288 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.695 2.996 -10.124 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.794 3.351 -8.664 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.242 3.967 -8.773 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.036 5.985 -7.423 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.931 4.682 -6.924 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.309 6.073 -7.843 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.744 6.221 -9.741 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.096 6.272 -10.412 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -7.251 5.042 -10.980 1.00 0.00 H new ATOM 1401 N VAL A 95 -3.601 6.886 -10.335 1.00 0.00 N ATOM 1402 CA VAL A 95 -3.011 8.113 -9.818 1.00 0.00 C ATOM 1403 C VAL A 95 -4.058 9.044 -9.196 1.00 0.00 C ATOM 1404 O VAL A 95 -5.254 8.944 -9.483 1.00 0.00 O ATOM 1405 CB VAL A 95 -2.249 8.838 -10.944 1.00 0.00 C ATOM 1406 CG1 VAL A 95 -1.062 8.000 -11.431 1.00 0.00 C ATOM 1407 CG2 VAL A 95 -3.142 9.211 -12.136 1.00 0.00 C ATOM 0 H VAL A 95 -4.033 6.999 -11.252 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.317 7.838 -9.023 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.887 9.769 -10.507 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.541 8.534 -12.226 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.376 7.824 -10.602 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.423 7.045 -11.812 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.545 9.718 -12.893 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.576 8.307 -12.562 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.940 9.873 -11.800 1.00 0.00 H new ATOM 1417 N GLY A 96 -3.582 9.973 -8.362 1.00 0.00 N ATOM 1418 CA GLY A 96 -4.392 11.006 -7.744 1.00 0.00 C ATOM 1419 C GLY A 96 -5.246 10.463 -6.605 1.00 0.00 C ATOM 1420 O GLY A 96 -5.281 9.263 -6.335 1.00 0.00 O ATOM 0 H GLY A 96 -2.598 10.022 -8.097 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.743 11.796 -7.365 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.038 11.458 -8.497 1.00 0.00 H new ATOM 1424 N ALA A 97 -5.980 11.361 -5.942 1.00 0.00 N ATOM 1425 CA ALA A 97 -6.859 11.041 -4.823 1.00 0.00 C ATOM 1426 C ALA A 97 -8.164 10.388 -5.307 1.00 0.00 C ATOM 1427 O ALA A 97 -9.245 10.659 -4.784 1.00 0.00 O ATOM 1428 CB ALA A 97 -7.136 12.342 -4.058 1.00 0.00 C ATOM 0 H ALA A 97 -5.977 12.354 -6.177 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.378 10.317 -4.165 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -7.793 12.134 -3.213 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.196 12.757 -3.694 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.616 13.060 -4.723 1.00 0.00 H new ATOM 1434 N SER A 98 -8.070 9.491 -6.286 1.00 0.00 N ATOM 1435 CA SER A 98 -9.192 8.835 -6.934 1.00 0.00 C ATOM 1436 C SER A 98 -9.694 7.670 -6.075 1.00 0.00 C ATOM 1437 O SER A 98 -9.701 6.527 -6.523 1.00 0.00 O ATOM 1438 CB SER A 98 -8.699 8.376 -8.312 1.00 0.00 C ATOM 1439 OG SER A 98 -7.986 9.421 -8.957 1.00 0.00 O ATOM 0 H SER A 98 -7.170 9.192 -6.662 1.00 0.00 H new ATOM 0 HA SER A 98 -10.041 9.508 -7.054 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.056 7.502 -8.203 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.547 8.073 -8.926 1.00 0.00 H new ATOM 0 HG SER A 98 -7.057 9.143 -9.102 1.00 0.00 H new ATOM 1445 N GLN A 99 -10.106 7.966 -4.837 1.00 0.00 N ATOM 1446 CA GLN A 99 -10.551 6.999 -3.834 1.00 0.00 C ATOM 1447 C GLN A 99 -11.489 5.935 -4.418 1.00 0.00 C ATOM 1448 O GLN A 99 -11.271 4.741 -4.226 1.00 0.00 O ATOM 1449 CB GLN A 99 -11.231 7.766 -2.688 1.00 0.00 C ATOM 1450 CG GLN A 99 -11.742 6.853 -1.563 1.00 0.00 C ATOM 1451 CD GLN A 99 -10.622 6.077 -0.877 1.00 0.00 C ATOM 1452 OE1 GLN A 99 -10.512 4.864 -1.014 1.00 0.00 O ATOM 1453 NE2 GLN A 99 -9.785 6.766 -0.110 1.00 0.00 N ATOM 0 H GLN A 99 -10.139 8.926 -4.495 1.00 0.00 H new ATOM 0 HA GLN A 99 -9.681 6.458 -3.461 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -10.524 8.484 -2.271 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -12.067 8.339 -3.089 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -12.267 7.456 -0.822 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -12.467 6.150 -1.973 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -9.897 7.775 -0.012 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -9.030 6.286 0.381 1.00 0.00 H new ATOM 1462 N ASP A 100 -12.543 6.359 -5.113 1.00 0.00 N ATOM 1463 CA ASP A 100 -13.517 5.461 -5.723 1.00 0.00 C ATOM 1464 C ASP A 100 -12.816 4.420 -6.604 1.00 0.00 C ATOM 1465 O ASP A 100 -13.031 3.215 -6.467 1.00 0.00 O ATOM 1466 CB ASP A 100 -14.540 6.280 -6.531 1.00 0.00 C ATOM 1467 CG ASP A 100 -13.945 7.005 -7.740 1.00 0.00 C ATOM 1468 OD1 ASP A 100 -12.836 7.569 -7.586 1.00 0.00 O ATOM 1469 OD2 ASP A 100 -14.594 6.962 -8.807 1.00 0.00 O ATOM 0 H ASP A 100 -12.745 7.346 -5.269 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.047 4.921 -4.939 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -15.333 5.615 -6.874 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -15.003 7.015 -5.872 1.00 0.00 H new ATOM 1474 N LYS A 101 -11.951 4.893 -7.498 1.00 0.00 N ATOM 1475 CA LYS A 101 -11.224 4.045 -8.421 1.00 0.00 C ATOM 1476 C LYS A 101 -10.192 3.210 -7.657 1.00 0.00 C ATOM 1477 O LYS A 101 -9.918 2.077 -8.045 1.00 0.00 O ATOM 1478 CB LYS A 101 -10.611 4.927 -9.511 1.00 0.00 C ATOM 1479 CG LYS A 101 -10.102 4.092 -10.696 1.00 0.00 C ATOM 1480 CD LYS A 101 -9.814 4.954 -11.937 1.00 0.00 C ATOM 1481 CE LYS A 101 -11.007 5.045 -12.903 1.00 0.00 C ATOM 1482 NZ LYS A 101 -12.191 5.673 -12.292 1.00 0.00 N ATOM 0 H LYS A 101 -11.738 5.885 -7.598 1.00 0.00 H new ATOM 0 HA LYS A 101 -11.887 3.332 -8.911 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.355 5.642 -9.862 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.787 5.504 -9.092 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.193 3.566 -10.403 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -10.843 3.333 -10.948 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.537 5.958 -11.617 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.956 4.540 -12.467 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.713 5.616 -13.784 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.269 4.044 -13.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.859 5.955 -13.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.652 4.995 -11.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.899 6.513 -11.753 1.00 0.00 H new ATOM 1496 N LEU A 102 -9.629 3.749 -6.570 1.00 0.00 N ATOM 1497 CA LEU A 102 -8.713 3.022 -5.700 1.00 0.00 C ATOM 1498 C LEU A 102 -9.443 1.766 -5.213 1.00 0.00 C ATOM 1499 O LEU A 102 -8.994 0.644 -5.450 1.00 0.00 O ATOM 1500 CB LEU A 102 -8.298 3.909 -4.510 1.00 0.00 C ATOM 1501 CG LEU A 102 -6.950 3.570 -3.861 1.00 0.00 C ATOM 1502 CD1 LEU A 102 -6.902 4.288 -2.508 1.00 0.00 C ATOM 1503 CD2 LEU A 102 -6.711 2.074 -3.641 1.00 0.00 C ATOM 0 H LEU A 102 -9.801 4.709 -6.272 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.805 2.745 -6.236 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.267 4.945 -4.847 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.073 3.846 -3.746 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.167 3.896 -4.545 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.955 4.071 -2.014 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.992 5.363 -2.663 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -7.725 3.942 -1.883 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.735 1.926 -3.178 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.487 1.674 -2.988 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -6.741 1.556 -4.600 1.00 0.00 H new ATOM 1515 N LYS A 103 -10.595 1.960 -4.560 1.00 0.00 N ATOM 1516 CA LYS A 103 -11.405 0.868 -4.057 1.00 0.00 C ATOM 1517 C LYS A 103 -11.749 -0.091 -5.196 1.00 0.00 C ATOM 1518 O LYS A 103 -11.612 -1.301 -5.034 1.00 0.00 O ATOM 1519 CB LYS A 103 -12.674 1.416 -3.396 1.00 0.00 C ATOM 1520 CG LYS A 103 -12.363 2.241 -2.139 1.00 0.00 C ATOM 1521 CD LYS A 103 -13.619 2.360 -1.266 1.00 0.00 C ATOM 1522 CE LYS A 103 -13.459 3.396 -0.145 1.00 0.00 C ATOM 1523 NZ LYS A 103 -12.221 3.199 0.629 1.00 0.00 N ATOM 0 H LYS A 103 -10.984 2.884 -4.370 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.841 0.317 -3.304 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.215 2.036 -4.111 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.331 0.587 -3.131 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -11.560 1.768 -1.573 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.012 3.233 -2.423 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -14.468 2.635 -1.892 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -13.847 1.388 -0.828 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -13.459 4.397 -0.576 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -14.317 3.338 0.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -12.362 3.538 1.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -11.980 2.187 0.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -11.446 3.732 0.185 1.00 0.00 H new ATOM 1537 N ALA A 104 -12.177 0.442 -6.345 1.00 0.00 N ATOM 1538 CA ALA A 104 -12.495 -0.380 -7.506 1.00 0.00 C ATOM 1539 C ALA A 104 -11.305 -1.273 -7.880 1.00 0.00 C ATOM 1540 O ALA A 104 -11.486 -2.470 -8.092 1.00 0.00 O ATOM 1541 CB ALA A 104 -12.904 0.503 -8.688 1.00 0.00 C ATOM 0 H ALA A 104 -12.310 1.443 -6.491 1.00 0.00 H new ATOM 0 HA ALA A 104 -13.336 -1.026 -7.252 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -13.138 -0.125 -9.547 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -13.782 1.090 -8.417 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -12.083 1.174 -8.942 1.00 0.00 H new ATOM 1547 N LEU A 105 -10.089 -0.721 -7.961 1.00 0.00 N ATOM 1548 CA LEU A 105 -8.916 -1.522 -8.285 1.00 0.00 C ATOM 1549 C LEU A 105 -8.672 -2.571 -7.206 1.00 0.00 C ATOM 1550 O LEU A 105 -8.407 -3.724 -7.545 1.00 0.00 O ATOM 1551 CB LEU A 105 -7.654 -0.668 -8.469 1.00 0.00 C ATOM 1552 CG LEU A 105 -7.575 0.153 -9.771 1.00 0.00 C ATOM 1553 CD1 LEU A 105 -6.094 0.362 -10.108 1.00 0.00 C ATOM 1554 CD2 LEU A 105 -8.252 -0.508 -10.976 1.00 0.00 C ATOM 0 H LEU A 105 -9.898 0.269 -7.807 1.00 0.00 H new ATOM 0 HA LEU A 105 -9.124 -2.013 -9.236 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.578 0.018 -7.626 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.785 -1.325 -8.424 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.108 1.086 -9.589 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.008 0.942 -11.027 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.608 0.899 -9.294 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.611 -0.606 -10.243 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -8.150 0.136 -11.849 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -7.779 -1.469 -11.177 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -9.309 -0.662 -10.760 1.00 0.00 H new ATOM 1566 N VAL A 106 -8.738 -2.208 -5.921 1.00 0.00 N ATOM 1567 CA VAL A 106 -8.537 -3.210 -4.878 1.00 0.00 C ATOM 1568 C VAL A 106 -9.544 -4.338 -5.083 1.00 0.00 C ATOM 1569 O VAL A 106 -9.159 -5.497 -5.143 1.00 0.00 O ATOM 1570 CB VAL A 106 -8.649 -2.619 -3.465 1.00 0.00 C ATOM 1571 CG1 VAL A 106 -8.474 -3.740 -2.428 1.00 0.00 C ATOM 1572 CG2 VAL A 106 -7.554 -1.578 -3.229 1.00 0.00 C ATOM 0 H VAL A 106 -8.922 -1.261 -5.589 1.00 0.00 H new ATOM 0 HA VAL A 106 -7.521 -3.597 -4.961 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.628 -2.149 -3.366 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.553 -3.323 -1.424 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -9.250 -4.492 -2.571 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -7.494 -4.201 -2.553 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.650 -1.171 -2.223 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -6.576 -2.047 -3.339 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -7.654 -0.773 -3.957 1.00 0.00 H new ATOM 1582 N ALA A 107 -10.821 -4.000 -5.224 1.00 0.00 N ATOM 1583 CA ALA A 107 -11.875 -4.984 -5.448 1.00 0.00 C ATOM 1584 C ALA A 107 -11.559 -5.862 -6.667 1.00 0.00 C ATOM 1585 O ALA A 107 -11.694 -7.082 -6.605 1.00 0.00 O ATOM 1586 CB ALA A 107 -13.216 -4.267 -5.620 1.00 0.00 C ATOM 0 H ALA A 107 -11.155 -3.037 -5.186 1.00 0.00 H new ATOM 0 HA ALA A 107 -11.935 -5.642 -4.581 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -14.003 -5.002 -5.787 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -13.440 -3.694 -4.720 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.161 -3.593 -6.475 1.00 0.00 H new ATOM 1592 N LYS A 108 -11.142 -5.246 -7.777 1.00 0.00 N ATOM 1593 CA LYS A 108 -10.807 -5.937 -9.016 1.00 0.00 C ATOM 1594 C LYS A 108 -9.667 -6.933 -8.811 1.00 0.00 C ATOM 1595 O LYS A 108 -9.808 -8.114 -9.120 1.00 0.00 O ATOM 1596 CB LYS A 108 -10.435 -4.885 -10.077 1.00 0.00 C ATOM 1597 CG LYS A 108 -9.983 -5.471 -11.424 1.00 0.00 C ATOM 1598 CD LYS A 108 -9.368 -4.402 -12.340 1.00 0.00 C ATOM 1599 CE LYS A 108 -10.339 -3.265 -12.678 1.00 0.00 C ATOM 1600 NZ LYS A 108 -9.730 -2.318 -13.629 1.00 0.00 N ATOM 0 H LYS A 108 -11.027 -4.234 -7.836 1.00 0.00 H new ATOM 0 HA LYS A 108 -11.670 -6.512 -9.352 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -11.296 -4.239 -10.247 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -9.637 -4.256 -9.683 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -9.253 -6.261 -11.249 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -10.836 -5.930 -11.924 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -8.484 -3.985 -11.858 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -9.035 -4.873 -13.265 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -11.253 -3.677 -13.104 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -10.621 -2.739 -11.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -10.406 -1.557 -13.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -8.870 -1.909 -13.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -9.483 -2.818 -14.507 1.00 0.00 H new ATOM 1614 N HIS A 109 -8.512 -6.450 -8.355 1.00 0.00 N ATOM 1615 CA HIS A 109 -7.332 -7.288 -8.207 1.00 0.00 C ATOM 1616 C HIS A 109 -7.532 -8.263 -7.048 1.00 0.00 C ATOM 1617 O HIS A 109 -7.407 -9.475 -7.216 1.00 0.00 O ATOM 1618 CB HIS A 109 -6.097 -6.398 -8.042 1.00 0.00 C ATOM 1619 CG HIS A 109 -5.740 -5.723 -9.343 1.00 0.00 C ATOM 1620 ND1 HIS A 109 -4.872 -6.326 -10.251 1.00 0.00 N ATOM 1621 CD2 HIS A 109 -6.224 -4.568 -9.899 1.00 0.00 C ATOM 1622 CE1 HIS A 109 -4.867 -5.513 -11.311 1.00 0.00 C ATOM 1623 NE2 HIS A 109 -5.660 -4.443 -11.149 1.00 0.00 N ATOM 0 H HIS A 109 -8.372 -5.477 -8.082 1.00 0.00 H new ATOM 0 HA HIS A 109 -7.174 -7.894 -9.099 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -6.287 -5.645 -7.277 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -5.255 -6.998 -7.696 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -6.920 -3.881 -9.441 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -4.287 -5.697 -12.203 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -5.814 -3.688 -11.818 1.00 0.00 H new ATOM 1631 N ALA A 110 -7.883 -7.749 -5.871 1.00 0.00 N ATOM 1632 CA ALA A 110 -8.168 -8.552 -4.692 1.00 0.00 C ATOM 1633 C ALA A 110 -9.618 -9.042 -4.759 1.00 0.00 C ATOM 1634 O ALA A 110 -10.416 -8.772 -3.860 1.00 0.00 O ATOM 1635 CB ALA A 110 -7.888 -7.735 -3.422 1.00 0.00 C ATOM 0 H ALA A 110 -7.978 -6.746 -5.711 1.00 0.00 H new ATOM 0 HA ALA A 110 -7.518 -9.426 -4.661 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -8.104 -8.343 -2.543 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -6.841 -7.434 -3.407 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -8.521 -6.848 -3.413 1.00 0.00 H new ATOM 1641 N ALA A 111 -9.958 -9.757 -5.834 1.00 0.00 N ATOM 1642 CA ALA A 111 -11.288 -10.320 -6.018 1.00 0.00 C ATOM 1643 C ALA A 111 -11.474 -11.527 -5.102 1.00 0.00 C ATOM 1644 O ALA A 111 -12.497 -11.662 -4.436 1.00 0.00 O ATOM 1645 CB ALA A 111 -11.483 -10.715 -7.484 1.00 0.00 C ATOM 0 H ALA A 111 -9.315 -9.959 -6.599 1.00 0.00 H new ATOM 0 HA ALA A 111 -12.038 -9.573 -5.757 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -12.479 -11.136 -7.618 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -11.373 -9.834 -8.116 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -10.735 -11.457 -7.763 1.00 0.00 H new