USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=22 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 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 82 TYR OH : rot 180:sc= 0.63 USER MOD Set 2.1: A 70 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 73 HIS : no HD1:sc= 0 X(o=0,f=0.16) USER MOD Set 3.1: A 29 GLN : amide:sc= 1.13 K(o=2,f=-0.54) USER MOD Set 3.2: A 32 THR OG1 : rot 165:sc= 0.905 USER MOD Set 4.1: A 13 SER OG : rot -132:sc= 0.862 USER MOD Set 4.2: A 17 GLN : amide:sc= 1 K(o=1.9,f=0) USER MOD Single : A 3 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.38) USER MOD Single : A 6 LYS NZ :NH3+ 160:sc= -0.0606 (180deg=-0.401) USER MOD Single : A 7 GLN : amide:sc= 0.393 K(o=0.39,f=-0.37) USER MOD Single : A 8 LYS NZ :NH3+ 170:sc= 1.26 (180deg=1.16) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 12 ASN : amide:sc= -0.272 K(o=-0.27,f=-1.3) USER MOD Single : A 16 LYS NZ :NH3+ -176:sc= -0.0115 (180deg=-0.0501) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -0.0175 X(o=-0.018,f=0) USER MOD Single : A 26 CYS SG : rot 74:sc= 0.0761 USER MOD Single : A 27 TYR OH : rot 32:sc= 1.22 USER MOD Single : A 34 GLN : amide:sc= 1.51 K(o=1.5,f=0.88) 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=-0.012) USER MOD Single : A 41 TYR OH : rot 31:sc= 1.23 USER MOD Single : A 42 SER OG : rot -73:sc= 1.17 USER MOD Single : A 43 ASN : amide:sc= -0.444 X(o=-0.44,f=-0.17) USER MOD Single : A 44 LYS NZ :NH3+ 172:sc= 1.13 (180deg=1.09) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.0266 X(o=-0.027,f=-0.027) USER MOD Single : A 59 GLN : amide:sc= -0.866 K(o=-0.87,f=-1.5) USER MOD Single : A 60 MET CE :methyl -153:sc=-0.00953 (180deg=-0.222) USER MOD Single : A 61 CYS SG : rot 73:sc= -0.642 USER MOD Single : A 62 GLN : amide:sc= -0.0602 K(o=-0.06,f=-1.5!) USER MOD Single : A 63 GLN :FLIP amide:sc= -0.0338 F(o=-0.6,f=-0.034) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -71:sc= 1.31 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= 0.957 K(o=0.96,f=0) USER MOD Single : A 88 GLN : amide:sc= 0.777 K(o=0.78,f=0) USER MOD ----------------------------------------------------------------- ATOM 30 N GLN A 3 16.624 10.206 -10.071 1.00 0.00 N ATOM 31 CA GLN A 3 17.018 10.142 -8.657 1.00 0.00 C ATOM 32 C GLN A 3 15.829 10.187 -7.670 1.00 0.00 C ATOM 33 O GLN A 3 15.860 9.482 -6.657 1.00 0.00 O ATOM 34 CB GLN A 3 17.978 11.314 -8.358 1.00 0.00 C ATOM 35 CG GLN A 3 19.443 11.066 -8.760 1.00 0.00 C ATOM 36 CD GLN A 3 19.678 10.847 -10.254 1.00 0.00 C ATOM 37 OE1 GLN A 3 19.078 11.474 -11.122 1.00 0.00 O ATOM 38 NE2 GLN A 3 20.591 9.979 -10.617 1.00 0.00 N ATOM 0 HA GLN A 3 17.501 9.176 -8.506 1.00 0.00 H new ATOM 0 HB2 GLN A 3 17.618 12.202 -8.878 1.00 0.00 H new ATOM 0 HB3 GLN A 3 17.941 11.533 -7.291 1.00 0.00 H new ATOM 0 HG2 GLN A 3 20.042 11.917 -8.435 1.00 0.00 H new ATOM 0 HG3 GLN A 3 19.809 10.194 -8.219 1.00 0.00 H new ATOM 0 HE21 GLN A 3 21.100 9.449 -9.910 1.00 0.00 H new ATOM 0 HE22 GLN A 3 20.792 9.834 -11.606 1.00 0.00 H new ATOM 47 N PHE A 4 14.764 10.955 -7.949 1.00 0.00 N ATOM 48 CA PHE A 4 13.598 11.028 -7.049 1.00 0.00 C ATOM 49 C PHE A 4 12.599 9.869 -7.261 1.00 0.00 C ATOM 50 O PHE A 4 12.067 9.309 -6.300 1.00 0.00 O ATOM 51 CB PHE A 4 12.976 12.437 -7.098 1.00 0.00 C ATOM 52 CG PHE A 4 11.670 12.590 -7.860 1.00 0.00 C ATOM 53 CD1 PHE A 4 10.453 12.428 -7.175 1.00 0.00 C ATOM 54 CD2 PHE A 4 11.651 12.949 -9.217 1.00 0.00 C ATOM 55 CE1 PHE A 4 9.224 12.626 -7.825 1.00 0.00 C ATOM 56 CE2 PHE A 4 10.424 13.143 -9.876 1.00 0.00 C ATOM 57 CZ PHE A 4 9.211 12.980 -9.184 1.00 0.00 C ATOM 0 H PHE A 4 14.684 11.532 -8.786 1.00 0.00 H new ATOM 0 HA PHE A 4 13.939 10.877 -6.025 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.811 12.770 -6.073 1.00 0.00 H new ATOM 0 HB3 PHE A 4 13.707 13.114 -7.540 1.00 0.00 H new ATOM 0 HD1 PHE A 4 10.463 12.147 -6.132 1.00 0.00 H new ATOM 0 HD2 PHE A 4 12.579 13.076 -9.755 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.297 12.507 -7.284 1.00 0.00 H new ATOM 0 HE2 PHE A 4 10.413 13.419 -10.920 1.00 0.00 H new ATOM 0 HZ PHE A 4 8.272 13.127 -9.696 1.00 0.00 H new ATOM 67 N GLU A 5 12.442 9.411 -8.503 1.00 0.00 N ATOM 68 CA GLU A 5 11.746 8.164 -8.875 1.00 0.00 C ATOM 69 C GLU A 5 12.447 6.913 -8.327 1.00 0.00 C ATOM 70 O GLU A 5 11.818 5.873 -8.125 1.00 0.00 O ATOM 71 CB GLU A 5 11.667 8.042 -10.407 1.00 0.00 C ATOM 72 CG GLU A 5 11.233 9.307 -11.160 1.00 0.00 C ATOM 73 CD GLU A 5 9.749 9.671 -10.978 1.00 0.00 C ATOM 74 OE1 GLU A 5 9.089 9.193 -10.031 1.00 0.00 O ATOM 75 OE2 GLU A 5 9.198 10.397 -11.845 1.00 0.00 O ATOM 0 H GLU A 5 12.807 9.912 -9.313 1.00 0.00 H new ATOM 0 HA GLU A 5 10.750 8.220 -8.436 1.00 0.00 H new ATOM 0 HB2 GLU A 5 12.646 7.740 -10.779 1.00 0.00 H new ATOM 0 HB3 GLU A 5 10.971 7.240 -10.653 1.00 0.00 H new ATOM 0 HG2 GLU A 5 11.845 10.144 -10.824 1.00 0.00 H new ATOM 0 HG3 GLU A 5 11.435 9.171 -12.223 1.00 0.00 H new ATOM 83 N LYS A 6 13.747 7.030 -8.050 1.00 0.00 N ATOM 84 CA LYS A 6 14.570 6.038 -7.367 1.00 0.00 C ATOM 85 C LYS A 6 14.314 6.046 -5.861 1.00 0.00 C ATOM 86 O LYS A 6 14.094 4.987 -5.279 1.00 0.00 O ATOM 87 CB LYS A 6 16.042 6.325 -7.708 1.00 0.00 C ATOM 88 CG LYS A 6 16.824 5.097 -8.162 1.00 0.00 C ATOM 89 CD LYS A 6 17.250 4.165 -7.012 1.00 0.00 C ATOM 90 CE LYS A 6 16.257 3.045 -6.669 1.00 0.00 C ATOM 91 NZ LYS A 6 15.988 2.157 -7.822 1.00 0.00 N ATOM 0 H LYS A 6 14.278 7.861 -8.310 1.00 0.00 H new ATOM 0 HA LYS A 6 14.311 5.035 -7.707 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.082 7.079 -8.494 1.00 0.00 H new ATOM 0 HB3 LYS A 6 16.531 6.751 -6.832 1.00 0.00 H new ATOM 0 HG2 LYS A 6 16.215 4.532 -8.868 1.00 0.00 H new ATOM 0 HG3 LYS A 6 17.714 5.424 -8.700 1.00 0.00 H new ATOM 0 HD2 LYS A 6 18.207 3.712 -7.270 1.00 0.00 H new ATOM 0 HD3 LYS A 6 17.413 4.769 -6.119 1.00 0.00 H new ATOM 0 HE2 LYS A 6 16.652 2.454 -5.843 1.00 0.00 H new ATOM 0 HE3 LYS A 6 15.321 3.486 -6.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 15.604 1.252 -7.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 15.298 2.609 -8.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 16.873 1.984 -8.341 1.00 0.00 H new ATOM 105 N GLN A 7 14.275 7.216 -5.218 1.00 0.00 N ATOM 106 CA GLN A 7 14.142 7.288 -3.762 1.00 0.00 C ATOM 107 C GLN A 7 12.745 6.869 -3.249 1.00 0.00 C ATOM 108 O GLN A 7 12.649 6.314 -2.153 1.00 0.00 O ATOM 109 CB GLN A 7 14.628 8.659 -3.262 1.00 0.00 C ATOM 110 CG GLN A 7 13.547 9.742 -3.162 1.00 0.00 C ATOM 111 CD GLN A 7 14.116 11.135 -2.920 1.00 0.00 C ATOM 112 OE1 GLN A 7 15.124 11.542 -3.475 1.00 0.00 O ATOM 113 NE2 GLN A 7 13.494 11.947 -2.103 1.00 0.00 N ATOM 0 H GLN A 7 14.333 8.123 -5.681 1.00 0.00 H new ATOM 0 HA GLN A 7 14.795 6.537 -3.318 1.00 0.00 H new ATOM 0 HB2 GLN A 7 15.081 8.529 -2.279 1.00 0.00 H new ATOM 0 HB3 GLN A 7 15.413 9.013 -3.930 1.00 0.00 H new ATOM 0 HG2 GLN A 7 12.963 9.750 -4.082 1.00 0.00 H new ATOM 0 HG3 GLN A 7 12.863 9.490 -2.352 1.00 0.00 H new ATOM 0 HE21 GLN A 7 12.649 11.639 -1.623 1.00 0.00 H new ATOM 0 HE22 GLN A 7 13.855 12.888 -1.947 1.00 0.00 H new ATOM 122 N LYS A 8 11.673 7.021 -4.054 1.00 0.00 N ATOM 123 CA LYS A 8 10.354 6.406 -3.753 1.00 0.00 C ATOM 124 C LYS A 8 10.401 4.873 -3.724 1.00 0.00 C ATOM 125 O LYS A 8 9.646 4.263 -2.972 1.00 0.00 O ATOM 126 CB LYS A 8 9.236 6.900 -4.701 1.00 0.00 C ATOM 127 CG LYS A 8 9.527 6.647 -6.186 1.00 0.00 C ATOM 128 CD LYS A 8 8.348 6.839 -7.148 1.00 0.00 C ATOM 129 CE LYS A 8 7.705 8.234 -7.140 1.00 0.00 C ATOM 130 NZ LYS A 8 7.002 8.492 -8.420 1.00 0.00 N ATOM 0 H LYS A 8 11.690 7.563 -4.918 1.00 0.00 H new ATOM 0 HA LYS A 8 10.107 6.742 -2.746 1.00 0.00 H new ATOM 0 HB2 LYS A 8 8.302 6.406 -4.434 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.087 7.969 -4.546 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.334 7.312 -6.495 1.00 0.00 H new ATOM 0 HG3 LYS A 8 9.895 5.627 -6.294 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.689 6.622 -8.160 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.581 6.104 -6.905 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.002 8.312 -6.311 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.471 8.993 -6.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.435 9.360 -8.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.700 8.607 -9.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.377 7.690 -8.641 1.00 0.00 H new ATOM 144 N GLU A 9 11.302 4.254 -4.490 1.00 0.00 N ATOM 145 CA GLU A 9 11.552 2.803 -4.424 1.00 0.00 C ATOM 146 C GLU A 9 12.568 2.409 -3.339 1.00 0.00 C ATOM 147 O GLU A 9 12.440 1.339 -2.743 1.00 0.00 O ATOM 148 CB GLU A 9 11.977 2.262 -5.796 1.00 0.00 C ATOM 149 CG GLU A 9 10.881 2.487 -6.848 1.00 0.00 C ATOM 150 CD GLU A 9 10.944 1.432 -7.960 1.00 0.00 C ATOM 151 OE1 GLU A 9 11.242 1.799 -9.124 1.00 0.00 O ATOM 152 OE2 GLU A 9 10.672 0.236 -7.697 1.00 0.00 O ATOM 0 H GLU A 9 11.881 4.740 -5.175 1.00 0.00 H new ATOM 0 HA GLU A 9 10.607 2.341 -4.137 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.896 2.754 -6.114 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.196 1.197 -5.718 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.903 2.454 -6.369 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.990 3.481 -7.282 1.00 0.00 H new ATOM 160 N GLN A 10 13.537 3.269 -3.009 1.00 0.00 N ATOM 161 CA GLN A 10 14.441 3.052 -1.868 1.00 0.00 C ATOM 162 C GLN A 10 13.653 2.938 -0.551 1.00 0.00 C ATOM 163 O GLN A 10 13.895 2.034 0.249 1.00 0.00 O ATOM 164 CB GLN A 10 15.462 4.202 -1.792 1.00 0.00 C ATOM 165 CG GLN A 10 16.555 3.924 -0.748 1.00 0.00 C ATOM 166 CD GLN A 10 17.397 5.144 -0.386 1.00 0.00 C ATOM 167 OE1 GLN A 10 17.419 6.168 -1.063 1.00 0.00 O ATOM 168 NE2 GLN A 10 18.108 5.063 0.714 1.00 0.00 N ATOM 0 H GLN A 10 13.719 4.132 -3.521 1.00 0.00 H new ATOM 0 HA GLN A 10 14.972 2.112 -2.017 1.00 0.00 H new ATOM 0 HB2 GLN A 10 15.921 4.346 -2.770 1.00 0.00 H new ATOM 0 HB3 GLN A 10 14.947 5.130 -1.542 1.00 0.00 H new ATOM 0 HG2 GLN A 10 16.087 3.537 0.157 1.00 0.00 H new ATOM 0 HG3 GLN A 10 17.213 3.141 -1.126 1.00 0.00 H new ATOM 0 HE21 GLN A 10 18.087 4.210 1.273 1.00 0.00 H new ATOM 0 HE22 GLN A 10 18.682 5.853 1.010 1.00 0.00 H new ATOM 177 N GLY A 11 12.665 3.818 -0.346 1.00 0.00 N ATOM 178 CA GLY A 11 11.830 3.821 0.858 1.00 0.00 C ATOM 179 C GLY A 11 11.062 2.512 1.091 1.00 0.00 C ATOM 180 O GLY A 11 10.995 2.050 2.227 1.00 0.00 O ATOM 0 H GLY A 11 12.423 4.550 -1.014 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.461 4.019 1.724 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.116 4.642 0.790 1.00 0.00 H new ATOM 184 N ASN A 12 10.570 1.859 0.027 1.00 0.00 N ATOM 185 CA ASN A 12 9.928 0.537 0.085 1.00 0.00 C ATOM 186 C ASN A 12 10.866 -0.485 0.752 1.00 0.00 C ATOM 187 O ASN A 12 10.515 -1.085 1.767 1.00 0.00 O ATOM 188 CB ASN A 12 9.557 0.121 -1.356 1.00 0.00 C ATOM 189 CG ASN A 12 9.054 -1.308 -1.484 1.00 0.00 C ATOM 190 OD1 ASN A 12 8.467 -1.883 -0.582 1.00 0.00 O ATOM 191 ND2 ASN A 12 9.239 -1.913 -2.630 1.00 0.00 N ATOM 0 H ASN A 12 10.608 2.243 -0.917 1.00 0.00 H new ATOM 0 HA ASN A 12 9.022 0.576 0.690 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.790 0.799 -1.732 1.00 0.00 H new ATOM 0 HB3 ASN A 12 10.432 0.244 -1.994 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.893 -2.863 -2.767 1.00 0.00 H new ATOM 0 HD22 ASN A 12 9.729 -1.435 -3.386 1.00 0.00 H new ATOM 198 N SER A 13 12.093 -0.604 0.231 1.00 0.00 N ATOM 199 CA SER A 13 13.141 -1.479 0.769 1.00 0.00 C ATOM 200 C SER A 13 13.470 -1.156 2.231 1.00 0.00 C ATOM 201 O SER A 13 13.551 -2.067 3.056 1.00 0.00 O ATOM 202 CB SER A 13 14.382 -1.362 -0.129 1.00 0.00 C ATOM 203 OG SER A 13 15.504 -2.017 0.420 1.00 0.00 O ATOM 0 H SER A 13 12.391 -0.083 -0.594 1.00 0.00 H new ATOM 0 HA SER A 13 12.782 -2.508 0.766 1.00 0.00 H new ATOM 0 HB2 SER A 13 14.160 -1.786 -1.108 1.00 0.00 H new ATOM 0 HB3 SER A 13 14.618 -0.309 -0.283 1.00 0.00 H new ATOM 0 HG SER A 13 16.282 -1.422 0.380 1.00 0.00 H new ATOM 209 N LEU A 14 13.594 0.125 2.598 1.00 0.00 N ATOM 210 CA LEU A 14 13.895 0.530 3.978 1.00 0.00 C ATOM 211 C LEU A 14 12.811 0.086 4.986 1.00 0.00 C ATOM 212 O LEU A 14 13.157 -0.305 6.103 1.00 0.00 O ATOM 213 CB LEU A 14 14.151 2.047 4.023 1.00 0.00 C ATOM 214 CG LEU A 14 15.466 2.510 3.368 1.00 0.00 C ATOM 215 CD1 LEU A 14 15.471 4.033 3.242 1.00 0.00 C ATOM 216 CD2 LEU A 14 16.688 2.114 4.196 1.00 0.00 C ATOM 0 H LEU A 14 13.489 0.907 1.951 1.00 0.00 H new ATOM 0 HA LEU A 14 14.801 0.012 4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.321 2.554 3.531 1.00 0.00 H new ATOM 0 HB3 LEU A 14 14.150 2.369 5.064 1.00 0.00 H new ATOM 0 HG LEU A 14 15.522 2.028 2.392 1.00 0.00 H new ATOM 0 HD11 LEU A 14 16.403 4.357 2.778 1.00 0.00 H new ATOM 0 HD12 LEU A 14 14.630 4.350 2.626 1.00 0.00 H new ATOM 0 HD13 LEU A 14 15.384 4.480 4.232 1.00 0.00 H new ATOM 0 HD21 LEU A 14 17.593 2.460 3.697 1.00 0.00 H new ATOM 0 HD22 LEU A 14 16.621 2.570 5.184 1.00 0.00 H new ATOM 0 HD23 LEU A 14 16.722 1.029 4.298 1.00 0.00 H new ATOM 228 N PHE A 15 11.525 0.030 4.603 1.00 0.00 N ATOM 229 CA PHE A 15 10.476 -0.567 5.452 1.00 0.00 C ATOM 230 C PHE A 15 10.650 -2.077 5.652 1.00 0.00 C ATOM 231 O PHE A 15 10.490 -2.570 6.772 1.00 0.00 O ATOM 232 CB PHE A 15 9.078 -0.266 4.898 1.00 0.00 C ATOM 233 CG PHE A 15 8.620 1.145 5.184 1.00 0.00 C ATOM 234 CD1 PHE A 15 8.313 1.517 6.505 1.00 0.00 C ATOM 235 CD2 PHE A 15 8.501 2.091 4.151 1.00 0.00 C ATOM 236 CE1 PHE A 15 7.952 2.839 6.803 1.00 0.00 C ATOM 237 CE2 PHE A 15 8.110 3.407 4.449 1.00 0.00 C ATOM 238 CZ PHE A 15 7.850 3.786 5.776 1.00 0.00 C ATOM 0 H PHE A 15 11.185 0.390 3.711 1.00 0.00 H new ATOM 0 HA PHE A 15 10.582 -0.100 6.431 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.077 -0.431 3.821 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.364 -0.968 5.328 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.355 0.781 7.294 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.710 1.807 3.130 1.00 0.00 H new ATOM 0 HE1 PHE A 15 7.753 3.127 7.825 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.009 4.131 3.654 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.572 4.804 6.004 1.00 0.00 H new ATOM 248 N LYS A 16 11.039 -2.816 4.608 1.00 0.00 N ATOM 249 CA LYS A 16 11.378 -4.253 4.718 1.00 0.00 C ATOM 250 C LYS A 16 12.568 -4.497 5.658 1.00 0.00 C ATOM 251 O LYS A 16 12.501 -5.404 6.493 1.00 0.00 O ATOM 252 CB LYS A 16 11.634 -4.877 3.333 1.00 0.00 C ATOM 253 CG LYS A 16 10.586 -4.526 2.278 1.00 0.00 C ATOM 254 CD LYS A 16 9.158 -4.920 2.662 1.00 0.00 C ATOM 255 CE LYS A 16 8.195 -3.986 1.936 1.00 0.00 C ATOM 256 NZ LYS A 16 6.883 -4.637 1.747 1.00 0.00 N ATOM 0 H LYS A 16 11.130 -2.444 3.663 1.00 0.00 H new ATOM 0 HA LYS A 16 10.512 -4.748 5.158 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.612 -4.553 2.977 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.676 -5.961 3.439 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.618 -3.452 2.092 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.849 -5.019 1.342 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.962 -5.956 2.387 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.020 -4.845 3.741 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.072 -3.066 2.508 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.611 -3.706 0.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.263 -4.013 1.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.011 -5.537 1.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.450 -4.820 2.674 1.00 0.00 H new ATOM 270 N GLN A 17 13.595 -3.641 5.598 1.00 0.00 N ATOM 271 CA GLN A 17 14.722 -3.647 6.568 1.00 0.00 C ATOM 272 C GLN A 17 14.336 -3.211 7.997 1.00 0.00 C ATOM 273 O GLN A 17 15.080 -3.490 8.941 1.00 0.00 O ATOM 274 CB GLN A 17 15.913 -2.779 6.111 1.00 0.00 C ATOM 275 CG GLN A 17 16.861 -3.480 5.130 1.00 0.00 C ATOM 276 CD GLN A 17 16.335 -3.382 3.715 1.00 0.00 C ATOM 277 OE1 GLN A 17 15.649 -4.258 3.204 1.00 0.00 O ATOM 278 NE2 GLN A 17 16.599 -2.283 3.053 1.00 0.00 N ATOM 0 H GLN A 17 13.678 -2.921 4.880 1.00 0.00 H new ATOM 0 HA GLN A 17 15.014 -4.697 6.596 1.00 0.00 H new ATOM 0 HB2 GLN A 17 15.529 -1.872 5.643 1.00 0.00 H new ATOM 0 HB3 GLN A 17 16.480 -2.469 6.989 1.00 0.00 H new ATOM 0 HG2 GLN A 17 17.851 -3.028 5.187 1.00 0.00 H new ATOM 0 HG3 GLN A 17 16.972 -4.527 5.410 1.00 0.00 H new ATOM 0 HE21 GLN A 17 17.171 -1.555 3.481 1.00 0.00 H new ATOM 0 HE22 GLN A 17 16.233 -2.155 2.110 1.00 0.00 H new ATOM 287 N GLY A 18 13.205 -2.524 8.168 1.00 0.00 N ATOM 288 CA GLY A 18 12.758 -1.991 9.459 1.00 0.00 C ATOM 289 C GLY A 18 13.303 -0.598 9.806 1.00 0.00 C ATOM 290 O GLY A 18 13.160 -0.158 10.947 1.00 0.00 O ATOM 0 H GLY A 18 12.563 -2.318 7.402 1.00 0.00 H new ATOM 0 HA2 GLY A 18 11.669 -1.950 9.461 1.00 0.00 H new ATOM 0 HA3 GLY A 18 13.053 -2.687 10.245 1.00 0.00 H new ATOM 294 N LEU A 19 13.914 0.108 8.847 1.00 0.00 N ATOM 295 CA LEU A 19 14.476 1.460 8.987 1.00 0.00 C ATOM 296 C LEU A 19 13.404 2.505 8.671 1.00 0.00 C ATOM 297 O LEU A 19 13.530 3.312 7.754 1.00 0.00 O ATOM 298 CB LEU A 19 15.746 1.564 8.118 1.00 0.00 C ATOM 299 CG LEU A 19 16.900 0.632 8.539 1.00 0.00 C ATOM 300 CD1 LEU A 19 18.012 0.675 7.490 1.00 0.00 C ATOM 301 CD2 LEU A 19 17.506 1.039 9.884 1.00 0.00 C ATOM 0 H LEU A 19 14.037 -0.265 7.906 1.00 0.00 H new ATOM 0 HA LEU A 19 14.784 1.660 10.013 1.00 0.00 H new ATOM 0 HB2 LEU A 19 15.480 1.344 7.084 1.00 0.00 H new ATOM 0 HB3 LEU A 19 16.103 2.594 8.143 1.00 0.00 H new ATOM 0 HG LEU A 19 16.482 -0.371 8.628 1.00 0.00 H new ATOM 0 HD11 LEU A 19 18.824 0.014 7.793 1.00 0.00 H new ATOM 0 HD12 LEU A 19 17.618 0.347 6.528 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.388 1.694 7.400 1.00 0.00 H new ATOM 0 HD21 LEU A 19 18.315 0.355 10.141 1.00 0.00 H new ATOM 0 HD22 LEU A 19 17.897 2.054 9.815 1.00 0.00 H new ATOM 0 HD23 LEU A 19 16.738 0.998 10.656 1.00 0.00 H new ATOM 313 N TYR A 20 12.299 2.440 9.415 1.00 0.00 N ATOM 314 CA TYR A 20 11.069 3.197 9.160 1.00 0.00 C ATOM 315 C TYR A 20 11.270 4.717 9.106 1.00 0.00 C ATOM 316 O TYR A 20 10.660 5.379 8.266 1.00 0.00 O ATOM 317 CB TYR A 20 10.043 2.885 10.261 1.00 0.00 C ATOM 318 CG TYR A 20 9.485 1.474 10.366 1.00 0.00 C ATOM 319 CD1 TYR A 20 9.801 0.458 9.442 1.00 0.00 C ATOM 320 CD2 TYR A 20 8.595 1.196 11.419 1.00 0.00 C ATOM 321 CE1 TYR A 20 9.207 -0.813 9.563 1.00 0.00 C ATOM 322 CE2 TYR A 20 8.010 -0.075 11.548 1.00 0.00 C ATOM 323 CZ TYR A 20 8.311 -1.089 10.617 1.00 0.00 C ATOM 324 OH TYR A 20 7.733 -2.316 10.731 1.00 0.00 O ATOM 0 H TYR A 20 12.232 1.841 10.238 1.00 0.00 H new ATOM 0 HA TYR A 20 10.721 2.884 8.175 1.00 0.00 H new ATOM 0 HB2 TYR A 20 10.502 3.130 11.219 1.00 0.00 H new ATOM 0 HB3 TYR A 20 9.200 3.564 10.129 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.499 0.654 8.641 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.359 1.968 12.136 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.439 -1.583 8.843 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.329 -0.275 12.362 1.00 0.00 H new ATOM 0 HH TYR A 20 7.145 -2.329 11.515 1.00 0.00 H new ATOM 334 N ARG A 21 12.116 5.294 9.970 1.00 0.00 N ATOM 335 CA ARG A 21 12.300 6.755 10.042 1.00 0.00 C ATOM 336 C ARG A 21 13.294 7.249 8.991 1.00 0.00 C ATOM 337 O ARG A 21 13.117 8.350 8.468 1.00 0.00 O ATOM 338 CB ARG A 21 12.637 7.214 11.478 1.00 0.00 C ATOM 339 CG ARG A 21 11.410 7.233 12.419 1.00 0.00 C ATOM 340 CD ARG A 21 11.033 5.860 12.996 1.00 0.00 C ATOM 341 NE ARG A 21 9.734 5.891 13.696 1.00 0.00 N ATOM 342 CZ ARG A 21 9.011 4.839 14.047 1.00 0.00 C ATOM 343 NH1 ARG A 21 9.468 3.620 13.957 1.00 0.00 N ATOM 344 NH2 ARG A 21 7.791 5.000 14.471 1.00 0.00 N ATOM 0 H ARG A 21 12.688 4.771 10.633 1.00 0.00 H new ATOM 0 HA ARG A 21 11.350 7.229 9.795 1.00 0.00 H new ATOM 0 HB2 ARG A 21 13.395 6.551 11.895 1.00 0.00 H new ATOM 0 HB3 ARG A 21 13.072 8.213 11.440 1.00 0.00 H new ATOM 0 HG2 ARG A 21 11.610 7.918 13.243 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.555 7.632 11.873 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.993 5.127 12.190 1.00 0.00 H new ATOM 0 HD3 ARG A 21 11.809 5.532 13.687 1.00 0.00 H new ATOM 0 HE ARG A 21 9.358 6.809 13.932 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.411 3.454 13.607 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.882 2.834 14.237 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.392 5.937 14.533 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.234 4.189 14.741 1.00 0.00 H new ATOM 358 N GLU A 22 14.246 6.408 8.579 1.00 0.00 N ATOM 359 CA GLU A 22 15.041 6.645 7.361 1.00 0.00 C ATOM 360 C GLU A 22 14.205 6.462 6.086 1.00 0.00 C ATOM 361 O GLU A 22 14.412 7.193 5.115 1.00 0.00 O ATOM 362 CB GLU A 22 16.265 5.718 7.329 1.00 0.00 C ATOM 363 CG GLU A 22 17.304 6.151 8.370 1.00 0.00 C ATOM 364 CD GLU A 22 18.540 5.246 8.409 1.00 0.00 C ATOM 365 OE1 GLU A 22 19.001 4.928 9.534 1.00 0.00 O ATOM 366 OE2 GLU A 22 19.102 4.898 7.344 1.00 0.00 O ATOM 0 H GLU A 22 14.490 5.549 9.072 1.00 0.00 H new ATOM 0 HA GLU A 22 15.377 7.681 7.390 1.00 0.00 H new ATOM 0 HB2 GLU A 22 15.954 4.692 7.524 1.00 0.00 H new ATOM 0 HB3 GLU A 22 16.712 5.733 6.335 1.00 0.00 H new ATOM 0 HG2 GLU A 22 17.618 7.173 8.156 1.00 0.00 H new ATOM 0 HG3 GLU A 22 16.838 6.160 9.355 1.00 0.00 H new ATOM 374 N ALA A 23 13.231 5.547 6.084 1.00 0.00 N ATOM 375 CA ALA A 23 12.306 5.373 4.966 1.00 0.00 C ATOM 376 C ALA A 23 11.393 6.594 4.786 1.00 0.00 C ATOM 377 O ALA A 23 11.301 7.138 3.684 1.00 0.00 O ATOM 378 CB ALA A 23 11.481 4.094 5.169 1.00 0.00 C ATOM 0 H ALA A 23 13.064 4.906 6.860 1.00 0.00 H new ATOM 0 HA ALA A 23 12.891 5.278 4.051 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.793 3.968 4.333 1.00 0.00 H new ATOM 0 HB2 ALA A 23 12.149 3.234 5.221 1.00 0.00 H new ATOM 0 HB3 ALA A 23 10.914 4.170 6.097 1.00 0.00 H new ATOM 384 N VAL A 24 10.765 7.070 5.870 1.00 0.00 N ATOM 385 CA VAL A 24 9.935 8.287 5.844 1.00 0.00 C ATOM 386 C VAL A 24 10.752 9.499 5.391 1.00 0.00 C ATOM 387 O VAL A 24 10.235 10.277 4.594 1.00 0.00 O ATOM 388 CB VAL A 24 9.223 8.531 7.194 1.00 0.00 C ATOM 389 CG1 VAL A 24 8.496 9.884 7.230 1.00 0.00 C ATOM 390 CG2 VAL A 24 8.148 7.460 7.431 1.00 0.00 C ATOM 0 H VAL A 24 10.816 6.626 6.787 1.00 0.00 H new ATOM 0 HA VAL A 24 9.147 8.134 5.107 1.00 0.00 H new ATOM 0 HB VAL A 24 10.003 8.503 7.955 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.011 10.011 8.198 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.216 10.688 7.077 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.745 9.914 6.441 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.655 7.644 8.385 1.00 0.00 H new ATOM 0 HG22 VAL A 24 7.412 7.500 6.628 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.614 6.475 7.448 1.00 0.00 H new ATOM 400 N HIS A 25 12.032 9.621 5.771 1.00 0.00 N ATOM 401 CA HIS A 25 12.912 10.693 5.285 1.00 0.00 C ATOM 402 C HIS A 25 12.989 10.755 3.748 1.00 0.00 C ATOM 403 O HIS A 25 12.908 11.846 3.185 1.00 0.00 O ATOM 404 CB HIS A 25 14.315 10.523 5.885 1.00 0.00 C ATOM 405 CG HIS A 25 15.269 11.652 5.569 1.00 0.00 C ATOM 406 ND1 HIS A 25 15.491 12.772 6.335 1.00 0.00 N ATOM 407 CD2 HIS A 25 16.106 11.735 4.488 1.00 0.00 C ATOM 408 CE1 HIS A 25 16.427 13.518 5.727 1.00 0.00 C ATOM 409 NE2 HIS A 25 16.840 12.928 4.589 1.00 0.00 N ATOM 0 H HIS A 25 12.485 8.981 6.423 1.00 0.00 H new ATOM 0 HA HIS A 25 12.480 11.639 5.612 1.00 0.00 H new ATOM 0 HB2 HIS A 25 14.226 10.431 6.967 1.00 0.00 H new ATOM 0 HB3 HIS A 25 14.743 9.589 5.520 1.00 0.00 H new ATOM 0 HD2 HIS A 25 16.188 11.008 3.694 1.00 0.00 H new ATOM 0 HE1 HIS A 25 16.798 14.462 6.099 1.00 0.00 H new ATOM 0 HE2 HIS A 25 17.541 13.276 3.935 1.00 0.00 H new ATOM 418 N CYS A 26 13.085 9.613 3.054 1.00 0.00 N ATOM 419 CA CYS A 26 13.128 9.563 1.586 1.00 0.00 C ATOM 420 C CYS A 26 11.808 10.021 0.937 1.00 0.00 C ATOM 421 O CYS A 26 11.840 10.705 -0.089 1.00 0.00 O ATOM 422 CB CYS A 26 13.488 8.136 1.141 1.00 0.00 C ATOM 423 SG CYS A 26 15.151 7.674 1.713 1.00 0.00 S ATOM 0 H CYS A 26 13.135 8.695 3.496 1.00 0.00 H new ATOM 0 HA CYS A 26 13.892 10.263 1.248 1.00 0.00 H new ATOM 0 HB2 CYS A 26 12.755 7.432 1.536 1.00 0.00 H new ATOM 0 HB3 CYS A 26 13.442 8.068 0.054 1.00 0.00 H new ATOM 0 HG CYS A 26 15.121 7.443 2.992 1.00 0.00 H new ATOM 429 N TYR A 27 10.654 9.695 1.535 1.00 0.00 N ATOM 430 CA TYR A 27 9.340 10.164 1.066 1.00 0.00 C ATOM 431 C TYR A 27 9.072 11.633 1.406 1.00 0.00 C ATOM 432 O TYR A 27 8.547 12.366 0.570 1.00 0.00 O ATOM 433 CB TYR A 27 8.224 9.259 1.605 1.00 0.00 C ATOM 434 CG TYR A 27 8.265 7.849 1.051 1.00 0.00 C ATOM 435 CD1 TYR A 27 7.863 7.602 -0.276 1.00 0.00 C ATOM 436 CD2 TYR A 27 8.716 6.786 1.851 1.00 0.00 C ATOM 437 CE1 TYR A 27 7.944 6.303 -0.815 1.00 0.00 C ATOM 438 CE2 TYR A 27 8.771 5.482 1.328 1.00 0.00 C ATOM 439 CZ TYR A 27 8.396 5.240 -0.008 1.00 0.00 C ATOM 440 OH TYR A 27 8.517 3.988 -0.517 1.00 0.00 O ATOM 0 H TYR A 27 10.604 9.097 2.360 1.00 0.00 H new ATOM 0 HA TYR A 27 9.352 10.102 -0.022 1.00 0.00 H new ATOM 0 HB2 TYR A 27 8.296 9.216 2.692 1.00 0.00 H new ATOM 0 HB3 TYR A 27 7.259 9.706 1.367 1.00 0.00 H new ATOM 0 HD1 TYR A 27 7.490 8.413 -0.884 1.00 0.00 H new ATOM 0 HD2 TYR A 27 9.021 6.971 2.870 1.00 0.00 H new ATOM 0 HE1 TYR A 27 7.661 6.123 -1.842 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.101 4.665 1.952 1.00 0.00 H new ATOM 0 HH TYR A 27 8.756 4.042 -1.466 1.00 0.00 H new ATOM 450 N ASP A 28 9.490 12.092 2.584 1.00 0.00 N ATOM 451 CA ASP A 28 9.417 13.500 2.967 1.00 0.00 C ATOM 452 C ASP A 28 10.317 14.357 2.058 1.00 0.00 C ATOM 453 O ASP A 28 9.899 15.429 1.630 1.00 0.00 O ATOM 454 CB ASP A 28 9.763 13.633 4.459 1.00 0.00 C ATOM 455 CG ASP A 28 9.092 14.851 5.088 1.00 0.00 C ATOM 456 OD1 ASP A 28 7.877 14.773 5.394 1.00 0.00 O ATOM 457 OD2 ASP A 28 9.753 15.901 5.267 1.00 0.00 O ATOM 0 H ASP A 28 9.892 11.492 3.305 1.00 0.00 H new ATOM 0 HA ASP A 28 8.404 13.878 2.828 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.450 12.732 4.987 1.00 0.00 H new ATOM 0 HB3 ASP A 28 10.844 13.712 4.576 1.00 0.00 H new ATOM 463 N GLN A 29 11.479 13.841 1.632 1.00 0.00 N ATOM 464 CA GLN A 29 12.368 14.498 0.662 1.00 0.00 C ATOM 465 C GLN A 29 11.772 14.624 -0.752 1.00 0.00 C ATOM 466 O GLN A 29 12.172 15.539 -1.479 1.00 0.00 O ATOM 467 CB GLN A 29 13.739 13.788 0.613 1.00 0.00 C ATOM 468 CG GLN A 29 14.755 14.105 1.731 1.00 0.00 C ATOM 469 CD GLN A 29 14.263 15.068 2.805 1.00 0.00 C ATOM 470 OE1 GLN A 29 14.372 16.284 2.680 1.00 0.00 O ATOM 471 NE2 GLN A 29 13.665 14.569 3.856 1.00 0.00 N ATOM 0 H GLN A 29 11.833 12.941 1.957 1.00 0.00 H new ATOM 0 HA GLN A 29 12.497 15.519 1.022 1.00 0.00 H new ATOM 0 HB2 GLN A 29 13.560 12.713 0.619 1.00 0.00 H new ATOM 0 HB3 GLN A 29 14.206 14.028 -0.342 1.00 0.00 H new ATOM 0 HG2 GLN A 29 15.046 13.170 2.210 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.653 14.523 1.275 1.00 0.00 H new ATOM 0 HE21 GLN A 29 13.575 13.558 3.959 1.00 0.00 H new ATOM 0 HE22 GLN A 29 13.289 15.191 4.572 1.00 0.00 H new ATOM 480 N LEU A 30 10.799 13.788 -1.151 1.00 0.00 N ATOM 481 CA LEU A 30 10.035 14.040 -2.390 1.00 0.00 C ATOM 482 C LEU A 30 9.304 15.389 -2.276 1.00 0.00 C ATOM 483 O LEU A 30 9.300 16.171 -3.223 1.00 0.00 O ATOM 484 CB LEU A 30 8.982 12.946 -2.690 1.00 0.00 C ATOM 485 CG LEU A 30 9.421 11.480 -2.570 1.00 0.00 C ATOM 486 CD1 LEU A 30 8.198 10.564 -2.586 1.00 0.00 C ATOM 487 CD2 LEU A 30 10.325 11.011 -3.700 1.00 0.00 C ATOM 0 H LEU A 30 10.524 12.946 -0.646 1.00 0.00 H new ATOM 0 HA LEU A 30 10.759 14.041 -3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.138 13.099 -2.017 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.614 13.104 -3.704 1.00 0.00 H new ATOM 0 HG LEU A 30 9.975 11.427 -1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.520 9.526 -2.500 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.546 10.812 -1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.654 10.699 -3.521 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.591 9.966 -3.543 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.802 11.113 -4.651 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.231 11.617 -3.717 1.00 0.00 H new ATOM 499 N ILE A 31 8.722 15.650 -1.100 1.00 0.00 N ATOM 500 CA ILE A 31 7.917 16.847 -0.792 1.00 0.00 C ATOM 501 C ILE A 31 8.797 18.057 -0.404 1.00 0.00 C ATOM 502 O ILE A 31 8.444 19.195 -0.714 1.00 0.00 O ATOM 503 CB ILE A 31 6.845 16.529 0.285 1.00 0.00 C ATOM 504 CG1 ILE A 31 6.069 15.215 0.007 1.00 0.00 C ATOM 505 CG2 ILE A 31 5.843 17.699 0.350 1.00 0.00 C ATOM 506 CD1 ILE A 31 5.174 14.747 1.163 1.00 0.00 C ATOM 0 H ILE A 31 8.799 15.014 -0.306 1.00 0.00 H new ATOM 0 HA ILE A 31 7.392 17.136 -1.702 1.00 0.00 H new ATOM 0 HB ILE A 31 7.369 16.396 1.232 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.452 15.353 -0.881 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.786 14.427 -0.223 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.085 17.487 1.104 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.371 18.616 0.614 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.365 17.823 -0.622 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.670 13.822 0.882 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.785 14.572 2.049 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.430 15.514 1.381 1.00 0.00 H new ATOM 518 N THR A 32 9.988 17.844 0.171 1.00 0.00 N ATOM 519 CA THR A 32 11.017 18.893 0.362 1.00 0.00 C ATOM 520 C THR A 32 11.434 19.522 -0.974 1.00 0.00 C ATOM 521 O THR A 32 11.728 20.716 -1.026 1.00 0.00 O ATOM 522 CB THR A 32 12.276 18.333 1.053 1.00 0.00 C ATOM 523 OG1 THR A 32 11.939 17.655 2.242 1.00 0.00 O ATOM 524 CG2 THR A 32 13.278 19.412 1.462 1.00 0.00 C ATOM 0 H THR A 32 10.274 16.930 0.523 1.00 0.00 H new ATOM 0 HA THR A 32 10.563 19.654 0.997 1.00 0.00 H new ATOM 0 HB THR A 32 12.725 17.674 0.310 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.701 17.114 2.537 1.00 0.00 H new ATOM 0 HG21 THR A 32 14.139 18.946 1.942 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.607 19.957 0.577 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.804 20.103 2.159 1.00 0.00 H new ATOM 532 N ALA A 33 11.428 18.734 -2.058 1.00 0.00 N ATOM 533 CA ALA A 33 11.699 19.206 -3.416 1.00 0.00 C ATOM 534 C ALA A 33 10.442 19.680 -4.179 1.00 0.00 C ATOM 535 O ALA A 33 10.554 20.528 -5.064 1.00 0.00 O ATOM 536 CB ALA A 33 12.413 18.075 -4.164 1.00 0.00 C ATOM 0 H ALA A 33 11.231 17.734 -2.011 1.00 0.00 H new ATOM 0 HA ALA A 33 12.327 20.095 -3.353 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.631 18.394 -5.183 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.345 17.832 -3.653 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.772 17.194 -4.189 1.00 0.00 H new ATOM 542 N GLN A 34 9.262 19.124 -3.877 1.00 0.00 N ATOM 543 CA GLN A 34 8.022 19.291 -4.661 1.00 0.00 C ATOM 544 C GLN A 34 6.811 19.546 -3.727 1.00 0.00 C ATOM 545 O GLN A 34 5.954 18.670 -3.581 1.00 0.00 O ATOM 546 CB GLN A 34 7.826 18.033 -5.536 1.00 0.00 C ATOM 547 CG GLN A 34 8.992 17.715 -6.488 1.00 0.00 C ATOM 548 CD GLN A 34 8.910 16.283 -6.985 1.00 0.00 C ATOM 549 OE1 GLN A 34 8.659 16.016 -8.152 1.00 0.00 O ATOM 550 NE2 GLN A 34 9.114 15.324 -6.105 1.00 0.00 N ATOM 0 H GLN A 34 9.135 18.528 -3.059 1.00 0.00 H new ATOM 0 HA GLN A 34 8.100 20.164 -5.309 1.00 0.00 H new ATOM 0 HB2 GLN A 34 7.666 17.175 -4.882 1.00 0.00 H new ATOM 0 HB3 GLN A 34 6.918 18.157 -6.126 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.972 18.400 -7.336 1.00 0.00 H new ATOM 0 HG3 GLN A 34 9.940 17.872 -5.974 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.323 15.558 -5.134 1.00 0.00 H new ATOM 0 HE22 GLN A 34 9.063 14.347 -6.394 1.00 0.00 H new ATOM 559 N PRO A 35 6.724 20.709 -3.044 1.00 0.00 N ATOM 560 CA PRO A 35 5.820 20.881 -1.900 1.00 0.00 C ATOM 561 C PRO A 35 4.329 20.706 -2.204 1.00 0.00 C ATOM 562 O PRO A 35 3.607 20.143 -1.377 1.00 0.00 O ATOM 563 CB PRO A 35 6.115 22.281 -1.353 1.00 0.00 C ATOM 564 CG PRO A 35 7.576 22.499 -1.738 1.00 0.00 C ATOM 565 CD PRO A 35 7.635 21.846 -3.115 1.00 0.00 C ATOM 0 HA PRO A 35 6.012 20.087 -1.178 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.464 23.034 -1.798 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.970 22.332 -0.274 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.836 23.557 -1.775 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.260 22.028 -1.032 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.331 22.545 -3.894 1.00 0.00 H new ATOM 0 HD3 PRO A 35 8.648 21.523 -3.354 1.00 0.00 H new ATOM 573 N GLN A 36 3.868 21.149 -3.378 1.00 0.00 N ATOM 574 CA GLN A 36 2.449 21.157 -3.763 1.00 0.00 C ATOM 575 C GLN A 36 1.980 19.860 -4.457 1.00 0.00 C ATOM 576 O GLN A 36 0.885 19.822 -5.027 1.00 0.00 O ATOM 577 CB GLN A 36 2.183 22.384 -4.658 1.00 0.00 C ATOM 578 CG GLN A 36 0.759 22.934 -4.491 1.00 0.00 C ATOM 579 CD GLN A 36 0.669 23.896 -3.316 1.00 0.00 C ATOM 580 OE1 GLN A 36 0.402 23.508 -2.185 1.00 0.00 O ATOM 581 NE2 GLN A 36 0.913 25.165 -3.526 1.00 0.00 N ATOM 0 H GLN A 36 4.482 21.520 -4.103 1.00 0.00 H new ATOM 0 HA GLN A 36 1.865 21.216 -2.845 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.902 23.167 -4.419 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.344 22.111 -5.701 1.00 0.00 H new ATOM 0 HG2 GLN A 36 0.455 23.444 -5.405 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.064 22.108 -4.341 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.136 25.493 -4.466 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.880 25.826 -2.750 1.00 0.00 H new ATOM 590 N ASN A 37 2.826 18.823 -4.521 1.00 0.00 N ATOM 591 CA ASN A 37 2.668 17.765 -5.515 1.00 0.00 C ATOM 592 C ASN A 37 2.115 16.428 -4.979 1.00 0.00 C ATOM 593 O ASN A 37 2.714 15.816 -4.086 1.00 0.00 O ATOM 594 CB ASN A 37 3.987 17.566 -6.270 1.00 0.00 C ATOM 595 CG ASN A 37 4.233 18.681 -7.265 1.00 0.00 C ATOM 596 OD1 ASN A 37 4.891 19.683 -7.005 1.00 0.00 O ATOM 597 ND2 ASN A 37 3.671 18.529 -8.437 1.00 0.00 N ATOM 0 H ASN A 37 3.623 18.699 -3.896 1.00 0.00 H new ATOM 0 HA ASN A 37 1.891 18.111 -6.197 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.812 17.524 -5.558 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.967 16.609 -6.792 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.777 19.250 -9.151 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.127 17.690 -8.637 1.00 0.00 H new ATOM 604 N PRO A 38 1.080 15.850 -5.631 1.00 0.00 N ATOM 605 CA PRO A 38 0.638 14.481 -5.352 1.00 0.00 C ATOM 606 C PRO A 38 1.719 13.420 -5.631 1.00 0.00 C ATOM 607 O PRO A 38 1.633 12.313 -5.093 1.00 0.00 O ATOM 608 CB PRO A 38 -0.609 14.265 -6.216 1.00 0.00 C ATOM 609 CG PRO A 38 -0.407 15.233 -7.380 1.00 0.00 C ATOM 610 CD PRO A 38 0.289 16.415 -6.721 1.00 0.00 C ATOM 0 HA PRO A 38 0.423 14.362 -4.290 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -0.685 13.234 -6.560 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -1.523 14.485 -5.664 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.203 14.794 -8.170 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.355 15.523 -7.833 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.924 16.942 -7.433 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.436 17.137 -6.345 1.00 0.00 H new ATOM 618 N VAL A 39 2.762 13.765 -6.399 1.00 0.00 N ATOM 619 CA VAL A 39 3.951 12.928 -6.662 1.00 0.00 C ATOM 620 C VAL A 39 4.934 12.814 -5.478 1.00 0.00 C ATOM 621 O VAL A 39 5.981 12.175 -5.587 1.00 0.00 O ATOM 622 CB VAL A 39 4.641 13.408 -7.965 1.00 0.00 C ATOM 623 CG1 VAL A 39 5.791 14.403 -7.761 1.00 0.00 C ATOM 624 CG2 VAL A 39 5.156 12.219 -8.777 1.00 0.00 C ATOM 0 H VAL A 39 2.807 14.667 -6.874 1.00 0.00 H new ATOM 0 HA VAL A 39 3.597 11.906 -6.796 1.00 0.00 H new ATOM 0 HB VAL A 39 3.859 13.943 -8.504 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.209 14.679 -8.729 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.416 15.295 -7.260 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.566 13.942 -7.149 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.636 12.580 -9.686 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.878 11.659 -8.183 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.321 11.570 -9.041 1.00 0.00 H new ATOM 634 N GLY A 40 4.604 13.425 -4.335 1.00 0.00 N ATOM 635 CA GLY A 40 5.115 13.010 -3.028 1.00 0.00 C ATOM 636 C GLY A 40 4.008 12.522 -2.089 1.00 0.00 C ATOM 637 O GLY A 40 4.211 11.538 -1.379 1.00 0.00 O ATOM 0 H GLY A 40 3.972 14.225 -4.292 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.847 12.214 -3.165 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.637 13.847 -2.564 1.00 0.00 H new ATOM 641 N TYR A 41 2.813 13.136 -2.115 1.00 0.00 N ATOM 642 CA TYR A 41 1.707 12.759 -1.216 1.00 0.00 C ATOM 643 C TYR A 41 1.264 11.300 -1.394 1.00 0.00 C ATOM 644 O TYR A 41 1.080 10.586 -0.408 1.00 0.00 O ATOM 645 CB TYR A 41 0.475 13.659 -1.425 1.00 0.00 C ATOM 646 CG TYR A 41 0.664 15.168 -1.430 1.00 0.00 C ATOM 647 CD1 TYR A 41 1.753 15.784 -0.778 1.00 0.00 C ATOM 648 CD2 TYR A 41 -0.301 15.964 -2.080 1.00 0.00 C ATOM 649 CE1 TYR A 41 1.896 17.184 -0.809 1.00 0.00 C ATOM 650 CE2 TYR A 41 -0.174 17.365 -2.087 1.00 0.00 C ATOM 651 CZ TYR A 41 0.927 17.975 -1.454 1.00 0.00 C ATOM 652 OH TYR A 41 1.026 19.326 -1.441 1.00 0.00 O ATOM 0 H TYR A 41 2.587 13.900 -2.752 1.00 0.00 H new ATOM 0 HA TYR A 41 2.103 12.888 -0.209 1.00 0.00 H new ATOM 0 HB2 TYR A 41 0.020 13.380 -2.375 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.246 13.419 -0.643 1.00 0.00 H new ATOM 0 HD1 TYR A 41 2.479 15.180 -0.254 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -1.140 15.497 -2.574 1.00 0.00 H new ATOM 0 HE1 TYR A 41 2.749 17.651 -0.338 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.920 17.973 -2.577 1.00 0.00 H new ATOM 0 HH TYR A 41 1.971 19.585 -1.417 1.00 0.00 H new ATOM 662 N SER A 42 1.126 10.827 -2.641 1.00 0.00 N ATOM 663 CA SER A 42 0.663 9.454 -2.904 1.00 0.00 C ATOM 664 C SER A 42 1.682 8.402 -2.458 1.00 0.00 C ATOM 665 O SER A 42 1.323 7.293 -2.059 1.00 0.00 O ATOM 666 CB SER A 42 0.296 9.284 -4.385 1.00 0.00 C ATOM 667 OG SER A 42 1.390 9.553 -5.239 1.00 0.00 O ATOM 0 H SER A 42 1.327 11.371 -3.480 1.00 0.00 H new ATOM 0 HA SER A 42 -0.233 9.291 -2.305 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.055 8.266 -4.556 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.529 9.952 -4.632 1.00 0.00 H new ATOM 0 HG SER A 42 1.560 10.518 -5.259 1.00 0.00 H new ATOM 673 N ASN A 43 2.960 8.774 -2.448 1.00 0.00 N ATOM 674 CA ASN A 43 4.084 7.926 -2.072 1.00 0.00 C ATOM 675 C ASN A 43 4.280 7.918 -0.541 1.00 0.00 C ATOM 676 O ASN A 43 4.420 6.849 0.053 1.00 0.00 O ATOM 677 CB ASN A 43 5.298 8.432 -2.869 1.00 0.00 C ATOM 678 CG ASN A 43 4.972 8.616 -4.342 1.00 0.00 C ATOM 679 OD1 ASN A 43 4.695 9.715 -4.782 1.00 0.00 O ATOM 680 ND2 ASN A 43 4.923 7.569 -5.127 1.00 0.00 N ATOM 0 H ASN A 43 3.251 9.715 -2.713 1.00 0.00 H new ATOM 0 HA ASN A 43 3.916 6.878 -2.321 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.637 9.380 -2.451 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.121 7.725 -2.765 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.653 7.677 -6.105 1.00 0.00 H new ATOM 0 HD22 ASN A 43 5.155 6.646 -4.761 1.00 0.00 H new ATOM 687 N LYS A 44 4.172 9.078 0.128 1.00 0.00 N ATOM 688 CA LYS A 44 4.178 9.177 1.601 1.00 0.00 C ATOM 689 C LYS A 44 2.962 8.485 2.238 1.00 0.00 C ATOM 690 O LYS A 44 3.101 7.858 3.286 1.00 0.00 O ATOM 691 CB LYS A 44 4.320 10.654 2.020 1.00 0.00 C ATOM 692 CG LYS A 44 4.543 10.814 3.536 1.00 0.00 C ATOM 693 CD LYS A 44 4.866 12.264 3.928 1.00 0.00 C ATOM 694 CE LYS A 44 4.908 12.404 5.456 1.00 0.00 C ATOM 695 NZ LYS A 44 5.281 13.774 5.882 1.00 0.00 N ATOM 0 H LYS A 44 4.077 9.980 -0.339 1.00 0.00 H new ATOM 0 HA LYS A 44 5.043 8.635 1.984 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.156 11.103 1.483 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.423 11.200 1.728 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.650 10.486 4.069 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.359 10.164 3.852 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.825 12.558 3.502 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.114 12.936 3.515 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.932 12.150 5.870 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.623 11.691 5.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.166 13.861 6.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.272 13.959 5.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.667 14.465 5.406 1.00 0.00 H new ATOM 709 N ALA A 45 1.804 8.470 1.573 1.00 0.00 N ATOM 710 CA ALA A 45 0.665 7.658 2.010 1.00 0.00 C ATOM 711 C ALA A 45 0.965 6.142 1.970 1.00 0.00 C ATOM 712 O ALA A 45 0.569 5.406 2.874 1.00 0.00 O ATOM 713 CB ALA A 45 -0.544 8.012 1.143 1.00 0.00 C ATOM 0 H ALA A 45 1.630 9.013 0.727 1.00 0.00 H new ATOM 0 HA ALA A 45 0.453 7.887 3.054 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.402 7.416 1.455 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.776 9.071 1.258 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.316 7.802 0.098 1.00 0.00 H new ATOM 719 N MET A 46 1.722 5.676 0.967 1.00 0.00 N ATOM 720 CA MET A 46 2.192 4.290 0.874 1.00 0.00 C ATOM 721 C MET A 46 3.179 3.950 1.993 1.00 0.00 C ATOM 722 O MET A 46 3.115 2.871 2.580 1.00 0.00 O ATOM 723 CB MET A 46 2.841 4.046 -0.496 1.00 0.00 C ATOM 724 CG MET A 46 2.745 2.591 -0.951 1.00 0.00 C ATOM 725 SD MET A 46 1.053 1.984 -1.155 1.00 0.00 S ATOM 726 CE MET A 46 1.390 0.493 -2.116 1.00 0.00 C ATOM 0 H MET A 46 2.028 6.260 0.189 1.00 0.00 H new ATOM 0 HA MET A 46 1.327 3.637 0.987 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.362 4.685 -1.238 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.890 4.339 -0.452 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.274 2.483 -1.898 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.259 1.961 -0.225 1.00 0.00 H new ATOM 0 HE1 MET A 46 0.452 -0.017 -2.337 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.884 0.765 -3.049 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.038 -0.171 -1.543 1.00 0.00 H new ATOM 736 N ALA A 47 4.054 4.896 2.340 1.00 0.00 N ATOM 737 CA ALA A 47 4.969 4.768 3.466 1.00 0.00 C ATOM 738 C ALA A 47 4.218 4.574 4.794 1.00 0.00 C ATOM 739 O ALA A 47 4.570 3.694 5.574 1.00 0.00 O ATOM 740 CB ALA A 47 5.857 6.018 3.490 1.00 0.00 C ATOM 0 H ALA A 47 4.145 5.780 1.839 1.00 0.00 H new ATOM 0 HA ALA A 47 5.585 3.877 3.344 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.555 5.952 4.324 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.414 6.087 2.555 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.234 6.905 3.607 1.00 0.00 H new ATOM 746 N LEU A 48 3.131 5.318 5.023 1.00 0.00 N ATOM 747 CA LEU A 48 2.310 5.186 6.233 1.00 0.00 C ATOM 748 C LEU A 48 1.609 3.817 6.329 1.00 0.00 C ATOM 749 O LEU A 48 1.591 3.239 7.417 1.00 0.00 O ATOM 750 CB LEU A 48 1.347 6.386 6.324 1.00 0.00 C ATOM 751 CG LEU A 48 2.068 7.719 6.626 1.00 0.00 C ATOM 752 CD1 LEU A 48 1.136 8.906 6.391 1.00 0.00 C ATOM 753 CD2 LEU A 48 2.569 7.791 8.072 1.00 0.00 C ATOM 0 H LEU A 48 2.795 6.030 4.374 1.00 0.00 H new ATOM 0 HA LEU A 48 2.959 5.211 7.109 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.802 6.479 5.385 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.609 6.194 7.103 1.00 0.00 H new ATOM 0 HG LEU A 48 2.921 7.763 5.949 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.665 9.833 6.610 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.809 8.912 5.351 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.267 8.821 7.044 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.069 8.746 8.237 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.724 7.701 8.755 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.271 6.978 8.255 1.00 0.00 H new ATOM 765 N ILE A 49 1.141 3.214 5.220 1.00 0.00 N ATOM 766 CA ILE A 49 0.676 1.810 5.271 1.00 0.00 C ATOM 767 C ILE A 49 1.825 0.823 5.509 1.00 0.00 C ATOM 768 O ILE A 49 1.635 -0.163 6.219 1.00 0.00 O ATOM 769 CB ILE A 49 -0.208 1.363 4.081 1.00 0.00 C ATOM 770 CG1 ILE A 49 0.506 1.190 2.723 1.00 0.00 C ATOM 771 CG2 ILE A 49 -1.408 2.303 3.918 1.00 0.00 C ATOM 772 CD1 ILE A 49 -0.268 0.286 1.751 1.00 0.00 C ATOM 0 H ILE A 49 1.074 3.657 4.304 1.00 0.00 H new ATOM 0 HA ILE A 49 0.016 1.788 6.138 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.527 0.358 4.358 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.648 2.169 2.266 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.498 0.770 2.891 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.017 1.973 3.077 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.008 2.289 4.828 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.053 3.317 3.733 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.283 0.203 0.814 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.387 -0.704 2.191 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.250 0.717 1.557 1.00 0.00 H new ATOM 784 N LYS A 50 3.034 1.092 4.991 1.00 0.00 N ATOM 785 CA LYS A 50 4.218 0.229 5.165 1.00 0.00 C ATOM 786 C LYS A 50 4.910 0.380 6.534 1.00 0.00 C ATOM 787 O LYS A 50 5.664 -0.506 6.927 1.00 0.00 O ATOM 788 CB LYS A 50 5.160 0.384 3.946 1.00 0.00 C ATOM 789 CG LYS A 50 5.661 -0.962 3.391 1.00 0.00 C ATOM 790 CD LYS A 50 4.572 -1.925 2.883 1.00 0.00 C ATOM 791 CE LYS A 50 3.726 -1.370 1.732 1.00 0.00 C ATOM 792 NZ LYS A 50 2.763 -2.400 1.264 1.00 0.00 N ATOM 0 H LYS A 50 3.221 1.925 4.432 1.00 0.00 H new ATOM 0 HA LYS A 50 3.881 -0.807 5.188 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.636 0.923 3.156 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.017 0.993 4.233 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.352 -0.761 2.573 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.230 -1.466 4.172 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.046 -2.851 2.557 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.913 -2.180 3.713 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.188 -0.481 2.061 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.373 -1.065 0.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.194 -2.014 0.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.284 -3.237 0.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.136 -2.671 2.048 1.00 0.00 H new ATOM 806 N LEU A 51 4.556 1.413 7.306 1.00 0.00 N ATOM 807 CA LEU A 51 4.823 1.574 8.745 1.00 0.00 C ATOM 808 C LEU A 51 3.736 0.871 9.594 1.00 0.00 C ATOM 809 O LEU A 51 3.929 0.588 10.776 1.00 0.00 O ATOM 810 CB LEU A 51 4.901 3.095 9.034 1.00 0.00 C ATOM 811 CG LEU A 51 5.962 3.550 10.059 1.00 0.00 C ATOM 812 CD1 LEU A 51 6.086 5.074 10.018 1.00 0.00 C ATOM 813 CD2 LEU A 51 5.671 3.149 11.499 1.00 0.00 C ATOM 0 H LEU A 51 4.045 2.208 6.923 1.00 0.00 H new ATOM 0 HA LEU A 51 5.766 1.101 9.019 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.093 3.611 8.093 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.924 3.426 9.386 1.00 0.00 H new ATOM 0 HG LEU A 51 6.882 3.044 9.765 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.835 5.398 10.741 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.387 5.388 9.019 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.125 5.524 10.265 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.470 3.511 12.146 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.723 3.585 11.814 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.612 2.063 11.569 1.00 0.00 H new ATOM 825 N GLY A 52 2.585 0.552 8.991 1.00 0.00 N ATOM 826 CA GLY A 52 1.427 -0.046 9.660 1.00 0.00 C ATOM 827 C GLY A 52 0.507 0.966 10.355 1.00 0.00 C ATOM 828 O GLY A 52 -0.232 0.611 11.272 1.00 0.00 O ATOM 0 H GLY A 52 2.430 0.708 7.995 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.846 -0.603 8.925 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.780 -0.765 10.399 1.00 0.00 H new ATOM 832 N GLU A 53 0.553 2.232 9.936 1.00 0.00 N ATOM 833 CA GLU A 53 -0.230 3.348 10.481 1.00 0.00 C ATOM 834 C GLU A 53 -1.325 3.760 9.487 1.00 0.00 C ATOM 835 O GLU A 53 -1.410 4.892 9.005 1.00 0.00 O ATOM 836 CB GLU A 53 0.713 4.470 10.959 1.00 0.00 C ATOM 837 CG GLU A 53 1.733 3.998 12.015 1.00 0.00 C ATOM 838 CD GLU A 53 1.091 3.428 13.291 1.00 0.00 C ATOM 839 OE1 GLU A 53 0.005 3.911 13.702 1.00 0.00 O ATOM 840 OE2 GLU A 53 1.685 2.509 13.911 1.00 0.00 O ATOM 0 H GLU A 53 1.164 2.523 9.173 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.775 3.050 11.376 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.249 4.875 10.101 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.118 5.283 11.376 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.374 3.236 11.571 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.375 4.836 12.286 1.00 0.00 H new ATOM 848 N TYR A 54 -2.174 2.781 9.156 1.00 0.00 N ATOM 849 CA TYR A 54 -3.244 2.881 8.160 1.00 0.00 C ATOM 850 C TYR A 54 -4.216 4.034 8.455 1.00 0.00 C ATOM 851 O TYR A 54 -4.615 4.728 7.524 1.00 0.00 O ATOM 852 CB TYR A 54 -3.989 1.534 8.053 1.00 0.00 C ATOM 853 CG TYR A 54 -3.088 0.310 8.070 1.00 0.00 C ATOM 854 CD1 TYR A 54 -2.390 -0.063 6.907 1.00 0.00 C ATOM 855 CD2 TYR A 54 -2.911 -0.422 9.261 1.00 0.00 C ATOM 856 CE1 TYR A 54 -1.495 -1.150 6.942 1.00 0.00 C ATOM 857 CE2 TYR A 54 -2.038 -1.528 9.289 1.00 0.00 C ATOM 858 CZ TYR A 54 -1.324 -1.892 8.128 1.00 0.00 C ATOM 859 OH TYR A 54 -0.438 -2.924 8.148 1.00 0.00 O ATOM 0 H TYR A 54 -2.132 1.860 9.593 1.00 0.00 H new ATOM 0 HA TYR A 54 -2.783 3.110 7.199 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.697 1.459 8.878 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -4.571 1.528 7.131 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.540 0.484 5.988 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -3.446 -0.135 10.154 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -0.937 -1.416 6.056 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.916 -2.097 10.199 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.434 -3.335 9.038 1.00 0.00 H new ATOM 869 N THR A 55 -4.525 4.325 9.727 1.00 0.00 N ATOM 870 CA THR A 55 -5.376 5.468 10.123 1.00 0.00 C ATOM 871 C THR A 55 -4.768 6.823 9.727 1.00 0.00 C ATOM 872 O THR A 55 -5.504 7.775 9.454 1.00 0.00 O ATOM 873 CB THR A 55 -5.664 5.434 11.633 1.00 0.00 C ATOM 874 OG1 THR A 55 -6.226 4.185 11.965 1.00 0.00 O ATOM 875 CG2 THR A 55 -6.675 6.483 12.098 1.00 0.00 C ATOM 0 H THR A 55 -4.192 3.774 10.518 1.00 0.00 H new ATOM 0 HA THR A 55 -6.313 5.364 9.577 1.00 0.00 H new ATOM 0 HB THR A 55 -4.708 5.629 12.118 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.411 4.155 12.927 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.823 6.393 13.174 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.299 7.479 11.865 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.624 6.325 11.586 1.00 0.00 H new ATOM 883 N GLN A 56 -3.437 6.912 9.612 1.00 0.00 N ATOM 884 CA GLN A 56 -2.754 8.109 9.091 1.00 0.00 C ATOM 885 C GLN A 56 -2.696 8.114 7.553 1.00 0.00 C ATOM 886 O GLN A 56 -2.679 9.179 6.932 1.00 0.00 O ATOM 887 CB GLN A 56 -1.336 8.234 9.668 1.00 0.00 C ATOM 888 CG GLN A 56 -1.195 7.825 11.135 1.00 0.00 C ATOM 889 CD GLN A 56 -2.190 8.432 12.113 1.00 0.00 C ATOM 890 OE1 GLN A 56 -2.512 9.618 12.099 1.00 0.00 O ATOM 891 NE2 GLN A 56 -2.705 7.623 13.008 1.00 0.00 N ATOM 0 H GLN A 56 -2.802 6.159 9.876 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.342 8.970 9.410 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.662 7.622 9.070 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.007 9.268 9.562 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.278 6.740 11.195 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.190 8.087 11.466 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.438 6.639 13.020 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -3.373 7.978 13.692 1.00 0.00 H new ATOM 900 N ALA A 57 -2.678 6.935 6.925 1.00 0.00 N ATOM 901 CA ALA A 57 -2.652 6.779 5.472 1.00 0.00 C ATOM 902 C ALA A 57 -4.015 7.042 4.807 1.00 0.00 C ATOM 903 O ALA A 57 -4.055 7.631 3.728 1.00 0.00 O ATOM 904 CB ALA A 57 -2.151 5.375 5.140 1.00 0.00 C ATOM 0 H ALA A 57 -2.681 6.046 7.425 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.976 7.533 5.067 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.126 5.244 4.058 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.148 5.241 5.545 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.821 4.636 5.580 1.00 0.00 H new ATOM 910 N ILE A 58 -5.133 6.659 5.441 1.00 0.00 N ATOM 911 CA ILE A 58 -6.489 6.945 4.931 1.00 0.00 C ATOM 912 C ILE A 58 -6.819 8.445 4.983 1.00 0.00 C ATOM 913 O ILE A 58 -7.486 8.952 4.078 1.00 0.00 O ATOM 914 CB ILE A 58 -7.570 6.094 5.637 1.00 0.00 C ATOM 915 CG1 ILE A 58 -7.712 6.447 7.134 1.00 0.00 C ATOM 916 CG2 ILE A 58 -7.320 4.592 5.406 1.00 0.00 C ATOM 917 CD1 ILE A 58 -8.801 5.661 7.868 1.00 0.00 C ATOM 0 H ILE A 58 -5.127 6.143 6.321 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.495 6.653 3.881 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.531 6.339 5.184 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.757 6.270 7.629 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.926 7.512 7.225 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.092 4.013 5.912 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.347 4.379 4.337 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.343 4.320 5.805 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -8.832 5.971 8.912 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -9.767 5.856 7.402 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.580 4.595 7.812 1.00 0.00 H new ATOM 929 N GLN A 59 -6.279 9.172 5.973 1.00 0.00 N ATOM 930 CA GLN A 59 -6.279 10.640 5.985 1.00 0.00 C ATOM 931 C GLN A 59 -5.501 11.174 4.782 1.00 0.00 C ATOM 932 O GLN A 59 -6.036 11.994 4.036 1.00 0.00 O ATOM 933 CB GLN A 59 -5.726 11.171 7.319 1.00 0.00 C ATOM 934 CG GLN A 59 -5.524 12.702 7.371 1.00 0.00 C ATOM 935 CD GLN A 59 -4.224 13.204 6.733 1.00 0.00 C ATOM 936 OE1 GLN A 59 -3.194 12.549 6.757 1.00 0.00 O ATOM 937 NE2 GLN A 59 -4.199 14.368 6.130 1.00 0.00 N ATOM 0 H GLN A 59 -5.830 8.756 6.789 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.304 11.001 5.900 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -6.406 10.881 8.120 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -4.771 10.685 7.520 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.366 13.182 6.871 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -5.547 13.022 8.413 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -5.042 14.941 6.092 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -3.336 14.701 5.699 1.00 0.00 H new ATOM 946 N MET A 60 -4.275 10.683 4.561 1.00 0.00 N ATOM 947 CA MET A 60 -3.392 11.198 3.514 1.00 0.00 C ATOM 948 C MET A 60 -3.888 10.870 2.095 1.00 0.00 C ATOM 949 O MET A 60 -3.738 11.692 1.194 1.00 0.00 O ATOM 950 CB MET A 60 -1.952 10.728 3.766 1.00 0.00 C ATOM 951 CG MET A 60 -0.956 11.529 2.916 1.00 0.00 C ATOM 952 SD MET A 60 0.786 11.317 3.381 1.00 0.00 S ATOM 953 CE MET A 60 0.835 12.366 4.861 1.00 0.00 C ATOM 0 H MET A 60 -3.871 9.919 5.103 1.00 0.00 H new ATOM 0 HA MET A 60 -3.407 12.287 3.567 1.00 0.00 H new ATOM 0 HB2 MET A 60 -1.708 10.842 4.822 1.00 0.00 H new ATOM 0 HB3 MET A 60 -1.865 9.667 3.531 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.076 11.240 1.872 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.210 12.587 2.985 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.847 12.745 5.005 1.00 0.00 H new ATOM 0 HE2 MET A 60 0.148 13.203 4.737 1.00 0.00 H new ATOM 0 HE3 MET A 60 0.540 11.781 5.732 1.00 0.00 H new ATOM 963 N CYS A 61 -4.557 9.728 1.879 1.00 0.00 N ATOM 964 CA CYS A 61 -5.148 9.412 0.575 1.00 0.00 C ATOM 965 C CYS A 61 -6.363 10.304 0.260 1.00 0.00 C ATOM 966 O CYS A 61 -6.457 10.801 -0.861 1.00 0.00 O ATOM 967 CB CYS A 61 -5.443 7.906 0.427 1.00 0.00 C ATOM 968 SG CYS A 61 -3.925 6.937 0.551 1.00 0.00 S ATOM 0 H CYS A 61 -4.701 9.011 2.590 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.403 9.647 -0.185 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.144 7.591 1.200 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -5.922 7.718 -0.534 1.00 0.00 H new ATOM 0 HG CYS A 61 -3.524 6.915 1.787 1.00 0.00 H new ATOM 974 N GLN A 62 -7.233 10.613 1.235 1.00 0.00 N ATOM 975 CA GLN A 62 -8.299 11.612 1.034 1.00 0.00 C ATOM 976 C GLN A 62 -7.781 13.058 0.998 1.00 0.00 C ATOM 977 O GLN A 62 -8.327 13.877 0.260 1.00 0.00 O ATOM 978 CB GLN A 62 -9.434 11.444 2.052 1.00 0.00 C ATOM 979 CG GLN A 62 -10.267 10.166 1.809 1.00 0.00 C ATOM 980 CD GLN A 62 -11.733 10.278 2.245 1.00 0.00 C ATOM 981 OE1 GLN A 62 -12.282 11.356 2.453 1.00 0.00 O ATOM 982 NE2 GLN A 62 -12.446 9.180 2.362 1.00 0.00 N ATOM 0 H GLN A 62 -7.221 10.190 2.163 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.708 11.415 0.043 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.014 11.413 3.057 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.089 12.314 2.007 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.233 9.920 0.748 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.803 9.337 2.343 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -12.014 8.271 2.195 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -13.431 9.237 2.620 1.00 0.00 H new ATOM 991 N GLN A 63 -6.678 13.376 1.675 1.00 0.00 N ATOM 992 CA GLN A 63 -5.954 14.632 1.464 1.00 0.00 C ATOM 993 C GLN A 63 -5.384 14.714 0.040 1.00 0.00 C ATOM 994 O GLN A 63 -5.315 15.800 -0.525 1.00 0.00 O ATOM 995 CB GLN A 63 -4.886 14.780 2.560 1.00 0.00 C ATOM 996 CG GLN A 63 -3.923 15.970 2.401 1.00 0.00 C ATOM 997 CD GLN A 63 -2.589 15.562 1.779 1.00 0.00 C ATOM 998 OE1 GLN A 63 -2.478 15.521 0.467 1.00 0.00 O flip ATOM 999 NE2 GLN A 63 -1.637 15.238 2.475 1.00 0.00 N flip ATOM 0 H GLN A 63 -6.261 12.773 2.384 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.637 15.477 1.548 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.390 14.871 3.522 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.298 13.863 2.594 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.392 16.733 1.779 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.743 16.421 3.377 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.715 15.267 3.492 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.765 14.939 2.039 1.00 0.00 H new ATOM 1008 N GLY A 64 -4.998 13.593 -0.578 1.00 0.00 N ATOM 1009 CA GLY A 64 -4.570 13.554 -1.977 1.00 0.00 C ATOM 1010 C GLY A 64 -5.715 13.639 -2.996 1.00 0.00 C ATOM 1011 O GLY A 64 -5.470 14.126 -4.094 1.00 0.00 O ATOM 0 H GLY A 64 -4.974 12.683 -0.118 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.880 14.378 -2.156 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.016 12.631 -2.149 1.00 0.00 H new ATOM 1015 N LEU A 65 -6.965 13.288 -2.643 1.00 0.00 N ATOM 1016 CA LEU A 65 -8.148 13.524 -3.499 1.00 0.00 C ATOM 1017 C LEU A 65 -8.315 15.012 -3.870 1.00 0.00 C ATOM 1018 O LEU A 65 -8.745 15.315 -4.981 1.00 0.00 O ATOM 1019 CB LEU A 65 -9.442 13.021 -2.836 1.00 0.00 C ATOM 1020 CG LEU A 65 -9.566 11.499 -2.678 1.00 0.00 C ATOM 1021 CD1 LEU A 65 -10.865 11.169 -1.941 1.00 0.00 C ATOM 1022 CD2 LEU A 65 -9.588 10.766 -4.018 1.00 0.00 C ATOM 0 H LEU A 65 -7.186 12.833 -1.757 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.970 12.956 -4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.523 13.477 -1.849 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.290 13.376 -3.422 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.690 11.168 -2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.955 10.089 -1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.854 11.637 -0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.713 11.546 -2.512 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.677 9.694 -3.845 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.438 11.110 -4.607 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.665 10.971 -4.560 1.00 0.00 H new ATOM 1034 N ARG A 66 -7.867 15.925 -2.996 1.00 0.00 N ATOM 1035 CA ARG A 66 -7.841 17.394 -3.200 1.00 0.00 C ATOM 1036 C ARG A 66 -6.907 17.867 -4.336 1.00 0.00 C ATOM 1037 O ARG A 66 -6.794 19.069 -4.592 1.00 0.00 O ATOM 1038 CB ARG A 66 -7.462 18.094 -1.879 1.00 0.00 C ATOM 1039 CG ARG A 66 -8.324 17.707 -0.666 1.00 0.00 C ATOM 1040 CD ARG A 66 -7.731 18.286 0.623 1.00 0.00 C ATOM 1041 NE ARG A 66 -8.453 17.782 1.806 1.00 0.00 N ATOM 1042 CZ ARG A 66 -7.933 17.443 2.971 1.00 0.00 C ATOM 1043 NH1 ARG A 66 -6.697 17.699 3.276 1.00 0.00 N ATOM 1044 NH2 ARG A 66 -8.637 16.813 3.862 1.00 0.00 N ATOM 0 H ARG A 66 -7.495 15.655 -2.085 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.847 17.672 -3.513 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.420 17.868 -1.652 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.530 19.172 -2.024 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.341 18.076 -0.803 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.386 16.622 -0.589 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.676 18.020 0.695 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.784 19.374 0.596 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.464 17.685 1.714 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.095 18.177 2.606 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.328 17.422 4.186 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.609 16.572 3.667 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.218 16.559 4.757 1.00 0.00 H new ATOM 1058 N TYR A 67 -6.212 16.939 -4.994 1.00 0.00 N ATOM 1059 CA TYR A 67 -5.195 17.176 -6.023 1.00 0.00 C ATOM 1060 C TYR A 67 -5.451 16.318 -7.278 1.00 0.00 C ATOM 1061 O TYR A 67 -4.512 15.793 -7.871 1.00 0.00 O ATOM 1062 CB TYR A 67 -3.797 16.973 -5.396 1.00 0.00 C ATOM 1063 CG TYR A 67 -3.510 17.891 -4.215 1.00 0.00 C ATOM 1064 CD1 TYR A 67 -2.918 19.150 -4.420 1.00 0.00 C ATOM 1065 CD2 TYR A 67 -3.900 17.514 -2.915 1.00 0.00 C ATOM 1066 CE1 TYR A 67 -2.755 20.050 -3.348 1.00 0.00 C ATOM 1067 CE2 TYR A 67 -3.748 18.411 -1.839 1.00 0.00 C ATOM 1068 CZ TYR A 67 -3.197 19.689 -2.059 1.00 0.00 C ATOM 1069 OH TYR A 67 -3.126 20.577 -1.034 1.00 0.00 O ATOM 0 H TYR A 67 -6.350 15.945 -4.814 1.00 0.00 H new ATOM 0 HA TYR A 67 -5.249 18.205 -6.378 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.703 15.937 -5.069 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.039 17.136 -6.162 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.585 19.430 -5.409 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.317 16.533 -2.742 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.293 21.012 -3.513 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.054 18.119 -0.845 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.474 20.162 -0.217 1.00 0.00 H new ATOM 1079 N THR A 68 -6.723 16.127 -7.666 1.00 0.00 N ATOM 1080 CA THR A 68 -7.143 15.120 -8.671 1.00 0.00 C ATOM 1081 C THR A 68 -8.044 15.615 -9.808 1.00 0.00 C ATOM 1082 O THR A 68 -8.229 14.889 -10.788 1.00 0.00 O ATOM 1083 CB THR A 68 -7.887 13.951 -8.013 1.00 0.00 C ATOM 1084 OG1 THR A 68 -9.115 14.371 -7.455 1.00 0.00 O ATOM 1085 CG2 THR A 68 -7.113 13.206 -6.937 1.00 0.00 C ATOM 0 H THR A 68 -7.501 16.670 -7.291 1.00 0.00 H new ATOM 0 HA THR A 68 -6.189 14.830 -9.112 1.00 0.00 H new ATOM 0 HB THR A 68 -8.040 13.254 -8.837 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.943 14.924 -6.664 1.00 0.00 H new ATOM 0 HG21 THR A 68 -7.729 12.400 -6.538 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.203 12.788 -7.367 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.852 13.895 -6.134 1.00 0.00 H new ATOM 1093 N SER A 69 -8.637 16.807 -9.705 1.00 0.00 N ATOM 1094 CA SER A 69 -9.777 17.234 -10.547 1.00 0.00 C ATOM 1095 C SER A 69 -9.419 17.732 -11.964 1.00 0.00 C ATOM 1096 O SER A 69 -10.185 18.502 -12.545 1.00 0.00 O ATOM 1097 CB SER A 69 -10.613 18.297 -9.816 1.00 0.00 C ATOM 1098 OG SER A 69 -11.068 17.869 -8.538 1.00 0.00 O ATOM 0 H SER A 69 -8.343 17.515 -9.032 1.00 0.00 H new ATOM 0 HA SER A 69 -10.353 16.322 -10.706 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.016 19.202 -9.698 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.473 18.560 -10.432 1.00 0.00 H new ATOM 0 HG SER A 69 -11.591 18.585 -8.120 1.00 0.00 H new ATOM 1104 N THR A 70 -8.264 17.356 -12.526 1.00 0.00 N ATOM 1105 CA THR A 70 -7.757 17.875 -13.818 1.00 0.00 C ATOM 1106 C THR A 70 -7.081 16.778 -14.652 1.00 0.00 C ATOM 1107 O THR A 70 -6.668 15.747 -14.114 1.00 0.00 O ATOM 1108 CB THR A 70 -6.793 19.069 -13.634 1.00 0.00 C ATOM 1109 OG1 THR A 70 -5.504 18.647 -13.261 1.00 0.00 O ATOM 1110 CG2 THR A 70 -7.232 20.078 -12.568 1.00 0.00 C ATOM 0 H THR A 70 -7.640 16.673 -12.096 1.00 0.00 H new ATOM 0 HA THR A 70 -8.633 18.230 -14.361 1.00 0.00 H new ATOM 0 HB THR A 70 -6.800 19.550 -14.612 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.922 19.428 -13.155 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.499 20.882 -12.505 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.203 20.493 -12.838 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.306 19.578 -11.602 1.00 0.00 H new ATOM 1118 N ALA A 71 -6.924 16.995 -15.963 1.00 0.00 N ATOM 1119 CA ALA A 71 -6.259 16.054 -16.875 1.00 0.00 C ATOM 1120 C ALA A 71 -4.768 15.820 -16.537 1.00 0.00 C ATOM 1121 O ALA A 71 -4.224 14.750 -16.821 1.00 0.00 O ATOM 1122 CB ALA A 71 -6.430 16.573 -18.307 1.00 0.00 C ATOM 0 H ALA A 71 -7.259 17.839 -16.427 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.731 15.078 -16.763 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.943 15.889 -19.002 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.491 16.639 -18.546 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.977 17.561 -18.393 1.00 0.00 H new ATOM 1128 N GLU A 72 -4.119 16.776 -15.866 1.00 0.00 N ATOM 1129 CA GLU A 72 -2.773 16.619 -15.298 1.00 0.00 C ATOM 1130 C GLU A 72 -2.721 15.605 -14.142 1.00 0.00 C ATOM 1131 O GLU A 72 -1.650 15.080 -13.828 1.00 0.00 O ATOM 1132 CB GLU A 72 -2.272 18.011 -14.870 1.00 0.00 C ATOM 1133 CG GLU A 72 -0.865 18.080 -14.258 1.00 0.00 C ATOM 1134 CD GLU A 72 0.242 17.455 -15.118 1.00 0.00 C ATOM 1135 OE1 GLU A 72 1.286 17.071 -14.530 1.00 0.00 O ATOM 1136 OE2 GLU A 72 0.101 17.344 -16.363 1.00 0.00 O ATOM 0 H GLU A 72 -4.520 17.699 -15.698 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.113 16.202 -16.059 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.296 18.664 -15.742 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.978 18.419 -14.147 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.616 19.125 -14.073 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.880 17.579 -13.290 1.00 0.00 H new ATOM 1144 N HIS A 73 -3.861 15.270 -13.535 1.00 0.00 N ATOM 1145 CA HIS A 73 -3.968 14.423 -12.348 1.00 0.00 C ATOM 1146 C HIS A 73 -4.934 13.231 -12.516 1.00 0.00 C ATOM 1147 O HIS A 73 -5.285 12.585 -11.528 1.00 0.00 O ATOM 1148 CB HIS A 73 -4.334 15.298 -11.145 1.00 0.00 C ATOM 1149 CG HIS A 73 -3.400 16.456 -10.885 1.00 0.00 C ATOM 1150 ND1 HIS A 73 -2.038 16.405 -10.684 1.00 0.00 N ATOM 1151 CD2 HIS A 73 -3.770 17.766 -10.778 1.00 0.00 C ATOM 1152 CE1 HIS A 73 -1.605 17.657 -10.458 1.00 0.00 C ATOM 1153 NE2 HIS A 73 -2.630 18.528 -10.485 1.00 0.00 N ATOM 0 H HIS A 73 -4.768 15.594 -13.870 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.996 13.959 -12.182 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.340 15.690 -11.294 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.365 14.670 -10.255 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.772 18.150 -10.899 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -0.575 17.927 -10.279 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -2.587 19.535 -10.325 1.00 0.00 H new ATOM 1162 N VAL A 74 -5.339 12.886 -13.744 1.00 0.00 N ATOM 1163 CA VAL A 74 -6.217 11.732 -14.028 1.00 0.00 C ATOM 1164 C VAL A 74 -5.591 10.386 -13.627 1.00 0.00 C ATOM 1165 O VAL A 74 -6.303 9.474 -13.203 1.00 0.00 O ATOM 1166 CB VAL A 74 -6.663 11.747 -15.505 1.00 0.00 C ATOM 1167 CG1 VAL A 74 -5.523 11.456 -16.490 1.00 0.00 C ATOM 1168 CG2 VAL A 74 -7.807 10.763 -15.763 1.00 0.00 C ATOM 0 H VAL A 74 -5.067 13.402 -14.581 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.102 11.837 -13.401 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.007 12.766 -15.683 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.907 11.482 -17.510 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.743 12.209 -16.377 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.107 10.470 -16.284 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.092 10.804 -16.814 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -7.481 9.753 -15.514 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.664 11.031 -15.144 1.00 0.00 H new ATOM 1178 N ALA A 75 -4.260 10.260 -13.669 1.00 0.00 N ATOM 1179 CA ALA A 75 -3.553 9.097 -13.121 1.00 0.00 C ATOM 1180 C ALA A 75 -3.541 9.137 -11.583 1.00 0.00 C ATOM 1181 O ALA A 75 -3.876 8.162 -10.910 1.00 0.00 O ATOM 1182 CB ALA A 75 -2.137 9.058 -13.701 1.00 0.00 C ATOM 0 H ALA A 75 -3.644 10.960 -14.083 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.073 8.182 -13.406 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.603 8.197 -13.300 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.191 8.978 -14.787 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.608 9.972 -13.430 1.00 0.00 H new ATOM 1188 N ILE A 76 -3.245 10.313 -11.020 1.00 0.00 N ATOM 1189 CA ILE A 76 -3.235 10.584 -9.575 1.00 0.00 C ATOM 1190 C ILE A 76 -4.593 10.293 -8.913 1.00 0.00 C ATOM 1191 O ILE A 76 -4.626 9.754 -7.807 1.00 0.00 O ATOM 1192 CB ILE A 76 -2.717 12.027 -9.350 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -1.208 12.043 -9.050 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -3.405 12.789 -8.216 1.00 0.00 C ATOM 1195 CD1 ILE A 76 -0.313 11.436 -10.122 1.00 0.00 C ATOM 0 H ILE A 76 -2.997 11.132 -11.575 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.552 9.898 -9.074 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.950 12.529 -10.289 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.900 13.076 -8.888 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.037 11.509 -8.115 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.975 13.788 -8.135 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.472 12.869 -8.426 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.259 12.254 -7.277 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.728 11.501 -9.806 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.582 10.390 -10.272 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.443 11.982 -11.057 1.00 0.00 H new ATOM 1207 N ARG A 77 -5.710 10.557 -9.605 1.00 0.00 N ATOM 1208 CA ARG A 77 -7.071 10.265 -9.124 1.00 0.00 C ATOM 1209 C ARG A 77 -7.272 8.777 -8.823 1.00 0.00 C ATOM 1210 O ARG A 77 -7.826 8.442 -7.777 1.00 0.00 O ATOM 1211 CB ARG A 77 -8.092 10.835 -10.131 1.00 0.00 C ATOM 1212 CG ARG A 77 -9.491 10.968 -9.504 1.00 0.00 C ATOM 1213 CD ARG A 77 -10.359 12.049 -10.168 1.00 0.00 C ATOM 1214 NE ARG A 77 -10.767 11.703 -11.540 1.00 0.00 N ATOM 1215 CZ ARG A 77 -10.470 12.335 -12.661 1.00 0.00 C ATOM 1216 NH1 ARG A 77 -9.585 13.288 -12.744 1.00 0.00 N ATOM 1217 NH2 ARG A 77 -11.069 12.018 -13.769 1.00 0.00 N ATOM 0 H ARG A 77 -5.695 10.986 -10.530 1.00 0.00 H new ATOM 0 HA ARG A 77 -7.232 10.760 -8.166 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -7.754 11.811 -10.480 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -8.144 10.185 -11.005 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -10.004 10.009 -9.572 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -9.385 11.198 -8.444 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -11.250 12.214 -9.562 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -9.807 12.989 -10.186 1.00 0.00 H new ATOM 0 HE ARG A 77 -11.351 10.872 -11.636 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -9.076 13.585 -11.912 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -9.402 13.737 -13.641 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -11.772 11.279 -13.775 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -10.837 12.508 -14.633 1.00 0.00 H new ATOM 1231 N SER A 78 -6.722 7.899 -9.660 1.00 0.00 N ATOM 1232 CA SER A 78 -6.679 6.449 -9.436 1.00 0.00 C ATOM 1233 C SER A 78 -5.592 6.049 -8.430 1.00 0.00 C ATOM 1234 O SER A 78 -5.843 5.217 -7.555 1.00 0.00 O ATOM 1235 CB SER A 78 -6.467 5.750 -10.781 1.00 0.00 C ATOM 1236 OG SER A 78 -7.522 6.106 -11.659 1.00 0.00 O ATOM 0 H SER A 78 -6.282 8.180 -10.536 1.00 0.00 H new ATOM 0 HA SER A 78 -7.628 6.135 -9.000 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.507 6.040 -11.209 1.00 0.00 H new ATOM 0 HB3 SER A 78 -6.441 4.669 -10.643 1.00 0.00 H new ATOM 0 HG SER A 78 -7.392 5.663 -12.523 1.00 0.00 H new ATOM 1242 N LYS A 79 -4.413 6.689 -8.474 1.00 0.00 N ATOM 1243 CA LYS A 79 -3.268 6.384 -7.594 1.00 0.00 C ATOM 1244 C LYS A 79 -3.481 6.750 -6.117 1.00 0.00 C ATOM 1245 O LYS A 79 -2.781 6.200 -5.272 1.00 0.00 O ATOM 1246 CB LYS A 79 -1.983 6.993 -8.193 1.00 0.00 C ATOM 1247 CG LYS A 79 -0.687 6.532 -7.492 1.00 0.00 C ATOM 1248 CD LYS A 79 0.565 6.614 -8.381 1.00 0.00 C ATOM 1249 CE LYS A 79 0.839 8.003 -8.971 1.00 0.00 C ATOM 1250 NZ LYS A 79 1.869 7.936 -10.035 1.00 0.00 N ATOM 0 H LYS A 79 -4.223 7.445 -9.132 1.00 0.00 H new ATOM 0 HA LYS A 79 -3.163 5.300 -7.564 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.926 6.730 -9.249 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.048 8.080 -8.138 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.530 7.142 -6.603 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.814 5.503 -7.154 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.431 6.305 -7.796 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.462 5.900 -9.198 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.083 8.417 -9.379 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.170 8.678 -8.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.036 8.889 -10.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.755 7.563 -9.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.540 7.310 -10.797 1.00 0.00 H new ATOM 1264 N LEU A 80 -4.465 7.591 -5.769 1.00 0.00 N ATOM 1265 CA LEU A 80 -4.953 7.706 -4.383 1.00 0.00 C ATOM 1266 C LEU A 80 -6.126 6.764 -4.060 1.00 0.00 C ATOM 1267 O LEU A 80 -6.207 6.297 -2.926 1.00 0.00 O ATOM 1268 CB LEU A 80 -5.279 9.166 -3.991 1.00 0.00 C ATOM 1269 CG LEU A 80 -4.095 10.091 -3.636 1.00 0.00 C ATOM 1270 CD1 LEU A 80 -3.003 9.425 -2.798 1.00 0.00 C ATOM 1271 CD2 LEU A 80 -3.443 10.706 -4.870 1.00 0.00 C ATOM 0 H LEU A 80 -4.942 8.205 -6.430 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.119 7.376 -3.763 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.826 9.622 -4.817 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.955 9.142 -3.136 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.557 10.870 -3.030 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.211 10.145 -2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.428 9.077 -1.856 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.591 8.577 -3.345 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.617 11.347 -4.563 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.067 9.913 -5.516 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.179 11.298 -5.414 1.00 0.00 H new ATOM 1283 N GLN A 81 -7.012 6.437 -5.007 1.00 0.00 N ATOM 1284 CA GLN A 81 -8.197 5.608 -4.715 1.00 0.00 C ATOM 1285 C GLN A 81 -7.880 4.109 -4.613 1.00 0.00 C ATOM 1286 O GLN A 81 -8.279 3.487 -3.627 1.00 0.00 O ATOM 1287 CB GLN A 81 -9.351 5.948 -5.678 1.00 0.00 C ATOM 1288 CG GLN A 81 -9.978 7.277 -5.225 1.00 0.00 C ATOM 1289 CD GLN A 81 -11.036 7.845 -6.163 1.00 0.00 C ATOM 1290 OE1 GLN A 81 -12.239 7.700 -5.971 1.00 0.00 O ATOM 1291 NE2 GLN A 81 -10.620 8.555 -7.182 1.00 0.00 N ATOM 0 H GLN A 81 -6.936 6.730 -5.981 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.542 5.864 -3.713 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.981 6.031 -6.700 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -10.098 5.154 -5.672 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.426 7.133 -4.242 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.184 8.015 -5.109 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -9.620 8.677 -7.344 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -11.296 8.986 -7.813 1.00 0.00 H new ATOM 1300 N TYR A 82 -7.045 3.538 -5.497 1.00 0.00 N ATOM 1301 CA TYR A 82 -6.578 2.153 -5.298 1.00 0.00 C ATOM 1302 C TYR A 82 -5.736 2.038 -4.010 1.00 0.00 C ATOM 1303 O TYR A 82 -5.809 1.042 -3.297 1.00 0.00 O ATOM 1304 CB TYR A 82 -5.812 1.626 -6.531 1.00 0.00 C ATOM 1305 CG TYR A 82 -4.327 1.401 -6.286 1.00 0.00 C ATOM 1306 CD1 TYR A 82 -3.423 2.461 -6.465 1.00 0.00 C ATOM 1307 CD2 TYR A 82 -3.881 0.185 -5.731 1.00 0.00 C ATOM 1308 CE1 TYR A 82 -2.081 2.323 -6.061 1.00 0.00 C ATOM 1309 CE2 TYR A 82 -2.543 0.043 -5.318 1.00 0.00 C ATOM 1310 CZ TYR A 82 -1.641 1.116 -5.476 1.00 0.00 C ATOM 1311 OH TYR A 82 -0.361 1.004 -5.029 1.00 0.00 O ATOM 0 H TYR A 82 -6.687 3.997 -6.334 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.457 1.519 -5.178 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.263 0.687 -6.853 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.932 2.335 -7.351 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.758 3.384 -6.914 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -4.568 -0.641 -5.622 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -1.389 3.140 -6.199 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -2.207 -0.886 -4.881 1.00 0.00 H new ATOM 0 HH TYR A 82 -0.223 0.109 -4.654 1.00 0.00 H new ATOM 1321 N ARG A 83 -4.966 3.087 -3.686 1.00 0.00 N ATOM 1322 CA ARG A 83 -4.101 3.182 -2.502 1.00 0.00 C ATOM 1323 C ARG A 83 -4.912 3.236 -1.201 1.00 0.00 C ATOM 1324 O ARG A 83 -4.542 2.589 -0.224 1.00 0.00 O ATOM 1325 CB ARG A 83 -3.180 4.384 -2.721 1.00 0.00 C ATOM 1326 CG ARG A 83 -2.042 4.457 -1.699 1.00 0.00 C ATOM 1327 CD ARG A 83 -0.688 4.856 -2.309 1.00 0.00 C ATOM 1328 NE ARG A 83 -0.212 4.013 -3.434 1.00 0.00 N ATOM 1329 CZ ARG A 83 0.886 4.220 -4.152 1.00 0.00 C ATOM 1330 NH1 ARG A 83 1.699 5.209 -3.928 1.00 0.00 N ATOM 1331 NH2 ARG A 83 1.223 3.434 -5.128 1.00 0.00 N ATOM 0 H ARG A 83 -4.928 3.926 -4.265 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.491 2.287 -2.383 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.758 4.334 -3.725 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.768 5.300 -2.668 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -2.307 5.176 -0.924 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.940 3.487 -1.213 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.757 5.887 -2.656 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.064 4.835 -1.521 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.779 3.201 -3.678 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.506 5.867 -3.173 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.530 5.327 -4.507 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.638 2.631 -5.362 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.072 3.619 -5.662 1.00 0.00 H new ATOM 1345 N LEU A 84 -6.060 3.915 -1.221 1.00 0.00 N ATOM 1346 CA LEU A 84 -7.053 3.906 -0.145 1.00 0.00 C ATOM 1347 C LEU A 84 -7.737 2.536 -0.002 1.00 0.00 C ATOM 1348 O LEU A 84 -7.929 2.053 1.117 1.00 0.00 O ATOM 1349 CB LEU A 84 -8.055 5.041 -0.432 1.00 0.00 C ATOM 1350 CG LEU A 84 -9.126 5.298 0.643 1.00 0.00 C ATOM 1351 CD1 LEU A 84 -8.538 5.411 2.049 1.00 0.00 C ATOM 1352 CD2 LEU A 84 -9.828 6.619 0.329 1.00 0.00 C ATOM 0 H LEU A 84 -6.333 4.503 -2.009 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.569 4.078 0.816 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.493 5.963 -0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.561 4.820 -1.372 1.00 0.00 H new ATOM 0 HG LEU A 84 -9.810 4.449 0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.340 5.592 2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.026 4.484 2.305 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.829 6.238 2.081 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.590 6.814 1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.098 7.429 0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -10.297 6.557 -0.653 1.00 0.00 H new ATOM 1364 N GLU A 85 -8.045 1.860 -1.110 1.00 0.00 N ATOM 1365 CA GLU A 85 -8.485 0.456 -1.074 1.00 0.00 C ATOM 1366 C GLU A 85 -7.404 -0.483 -0.507 1.00 0.00 C ATOM 1367 O GLU A 85 -7.732 -1.355 0.294 1.00 0.00 O ATOM 1368 CB GLU A 85 -8.965 -0.028 -2.454 1.00 0.00 C ATOM 1369 CG GLU A 85 -10.365 0.497 -2.803 1.00 0.00 C ATOM 1370 CD GLU A 85 -11.056 -0.415 -3.822 1.00 0.00 C ATOM 1371 OE1 GLU A 85 -11.095 -0.090 -5.031 1.00 0.00 O ATOM 1372 OE2 GLU A 85 -11.598 -1.474 -3.406 1.00 0.00 O ATOM 0 H GLU A 85 -7.999 2.259 -2.047 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.335 0.419 -0.392 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.257 0.297 -3.217 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.974 -1.118 -2.471 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -10.969 0.560 -1.898 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.288 1.507 -3.207 1.00 0.00 H new ATOM 1380 N LEU A 86 -6.121 -0.299 -0.834 1.00 0.00 N ATOM 1381 CA LEU A 86 -5.037 -1.154 -0.330 1.00 0.00 C ATOM 1382 C LEU A 86 -4.703 -0.887 1.150 1.00 0.00 C ATOM 1383 O LEU A 86 -4.363 -1.820 1.876 1.00 0.00 O ATOM 1384 CB LEU A 86 -3.801 -1.039 -1.247 1.00 0.00 C ATOM 1385 CG LEU A 86 -3.143 -2.381 -1.629 1.00 0.00 C ATOM 1386 CD1 LEU A 86 -2.708 -3.226 -0.432 1.00 0.00 C ATOM 1387 CD2 LEU A 86 -4.037 -3.224 -2.538 1.00 0.00 C ATOM 0 H LEU A 86 -5.803 0.445 -1.455 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.386 -2.186 -0.359 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.093 -0.522 -2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.057 -0.415 -0.752 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.242 -2.090 -2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.255 -4.152 -0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.982 -2.670 0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.577 -3.459 0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.531 -4.159 -2.780 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.975 -3.440 -2.027 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.243 -2.675 -3.457 1.00 0.00 H new ATOM 1399 N ALA A 87 -4.897 0.339 1.650 1.00 0.00 N ATOM 1400 CA ALA A 87 -4.867 0.607 3.091 1.00 0.00 C ATOM 1401 C ALA A 87 -5.957 -0.199 3.831 1.00 0.00 C ATOM 1402 O ALA A 87 -5.683 -0.817 4.860 1.00 0.00 O ATOM 1403 CB ALA A 87 -5.031 2.114 3.330 1.00 0.00 C ATOM 0 H ALA A 87 -5.077 1.162 1.076 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.906 0.287 3.493 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.009 2.317 4.401 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.217 2.650 2.842 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.983 2.446 2.917 1.00 0.00 H new ATOM 1409 N GLN A 88 -7.168 -0.265 3.264 1.00 0.00 N ATOM 1410 CA GLN A 88 -8.264 -1.121 3.749 1.00 0.00 C ATOM 1411 C GLN A 88 -7.992 -2.628 3.510 1.00 0.00 C ATOM 1412 O GLN A 88 -8.552 -3.491 4.191 1.00 0.00 O ATOM 1413 CB GLN A 88 -9.584 -0.659 3.116 1.00 0.00 C ATOM 1414 CG GLN A 88 -9.985 0.747 3.597 1.00 0.00 C ATOM 1415 CD GLN A 88 -11.109 1.319 2.748 1.00 0.00 C ATOM 1416 OE1 GLN A 88 -12.277 1.278 3.112 1.00 0.00 O ATOM 1417 NE2 GLN A 88 -10.789 1.826 1.582 1.00 0.00 N ATOM 0 H GLN A 88 -7.421 0.283 2.442 1.00 0.00 H new ATOM 0 HA GLN A 88 -8.336 -1.012 4.831 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.486 -0.658 2.030 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.374 -1.368 3.364 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.300 0.701 4.639 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -9.120 1.409 3.554 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.812 1.855 1.289 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -11.517 2.192 0.968 1.00 0.00 H new ATOM 1426 N GLY A 89 -7.083 -2.941 2.585 1.00 0.00 N ATOM 1427 CA GLY A 89 -6.487 -4.259 2.350 1.00 0.00 C ATOM 1428 C GLY A 89 -5.619 -4.733 3.518 1.00 0.00 C ATOM 1429 O GLY A 89 -5.953 -5.720 4.179 1.00 0.00 O ATOM 0 H GLY A 89 -6.721 -2.239 1.940 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.280 -4.986 2.174 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.882 -4.223 1.444 1.00 0.00 H new ATOM 1433 N ALA A 90 -4.538 -4.006 3.816 1.00 0.00 N ATOM 1434 CA ALA A 90 -3.560 -4.386 4.842 1.00 0.00 C ATOM 1435 C ALA A 90 -4.100 -4.240 6.283 1.00 0.00 C ATOM 1436 O ALA A 90 -3.726 -5.011 7.176 1.00 0.00 O ATOM 1437 CB ALA A 90 -2.282 -3.570 4.599 1.00 0.00 C ATOM 0 H ALA A 90 -4.314 -3.128 3.347 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.339 -5.450 4.752 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -1.535 -3.832 5.348 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.892 -3.791 3.605 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.510 -2.507 4.670 1.00 0.00 H new ATOM 1443 N VAL A 91 -5.051 -3.320 6.514 1.00 0.00 N ATOM 1444 CA VAL A 91 -5.769 -3.218 7.799 1.00 0.00 C ATOM 1445 C VAL A 91 -6.759 -4.376 8.027 1.00 0.00 C ATOM 1446 O VAL A 91 -7.198 -4.577 9.160 1.00 0.00 O ATOM 1447 CB VAL A 91 -6.451 -1.840 7.952 1.00 0.00 C ATOM 1448 CG1 VAL A 91 -7.853 -1.798 7.337 1.00 0.00 C ATOM 1449 CG2 VAL A 91 -6.569 -1.400 9.412 1.00 0.00 C ATOM 0 H VAL A 91 -5.343 -2.630 5.822 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.018 -3.307 8.584 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.796 -1.155 7.413 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.281 -0.805 7.475 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.790 -2.021 6.272 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -8.487 -2.538 7.825 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -7.055 -0.426 9.460 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.161 -2.129 9.965 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.574 -1.331 9.853 1.00 0.00 H new