USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=21 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 30:sc= 0.706 USER MOD Set 2.1: A 29 GLN : amide:sc= 2.05 K(o=3.3,f=-1.3) USER MOD Set 2.2: A 32 THR OG1 : rot 151:sc= 1.2 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 158:sc= 1.2 (180deg=0) USER MOD Set 3.2: A 10 GLN : amide:sc= 1.01 K(o=2.2,f=-2.9) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 GLN : amide:sc= 0.934 K(o=0.93,f=-1.3) USER MOD Single : A 8 LYS NZ :NH3+ 162:sc= 3.02 (180deg=2.76) USER MOD Single : A 12 ASN : amide:sc= -0.0277 X(o=-0.028,f=0) USER MOD Single : A 13 SER OG : rot 74:sc= 1.21 USER MOD Single : A 16 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.489) USER MOD Single : A 17 GLN : amide:sc= -0.0655 K(o=-0.065,f=-2!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 CYS SG : rot 74:sc= 0.484 USER MOD Single : A 27 TYR OH : rot 66:sc= 0.329 USER MOD Single : A 34 GLN : amide:sc= 1.16 K(o=1.2,f=0.36) 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=-0.41) USER MOD Single : A 41 TYR OH : rot 171:sc= 1.15 USER MOD Single : A 42 SER OG : rot -78:sc= 1.22 USER MOD Single : A 43 ASN : amide:sc= 1.02 K(o=1,f=-1.3) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= -1.01 K(o=-1,f=-1.7) USER MOD Single : A 60 MET CE :methyl -171:sc= 0 (180deg=-0.104) USER MOD Single : A 61 CYS SG : rot 76:sc= -0.0896 USER MOD Single : A 62 GLN : amide:sc= 0.837 K(o=0.84,f=0) USER MOD Single : A 63 GLN :FLIP amide:sc= -0.0429 F(o=-1.1,f=-0.043) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -90:sc= 1.25 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.02 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=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= 0.308 X(o=0.31,f=0) USER MOD Single : A 88 GLN : amide:sc= 0.86 K(o=0.86,f=0) USER MOD ----------------------------------------------------------------- ATOM 30 N GLN A 3 16.340 10.069 -10.084 1.00 0.00 N ATOM 31 CA GLN A 3 16.791 10.063 -8.677 1.00 0.00 C ATOM 32 C GLN A 3 15.622 10.132 -7.675 1.00 0.00 C ATOM 33 O GLN A 3 15.692 9.526 -6.603 1.00 0.00 O ATOM 34 CB GLN A 3 17.870 11.128 -8.398 1.00 0.00 C ATOM 35 CG GLN A 3 17.389 12.588 -8.370 1.00 0.00 C ATOM 36 CD GLN A 3 18.490 13.529 -7.885 1.00 0.00 C ATOM 37 OE1 GLN A 3 19.261 14.088 -8.659 1.00 0.00 O ATOM 38 NE2 GLN A 3 18.637 13.734 -6.595 1.00 0.00 N ATOM 0 HA GLN A 3 17.267 9.095 -8.519 1.00 0.00 H new ATOM 0 HB2 GLN A 3 18.335 10.902 -7.439 1.00 0.00 H new ATOM 0 HB3 GLN A 3 18.646 11.037 -9.158 1.00 0.00 H new ATOM 0 HG2 GLN A 3 17.067 12.886 -9.368 1.00 0.00 H new ATOM 0 HG3 GLN A 3 16.521 12.674 -7.716 1.00 0.00 H new ATOM 0 HE21 GLN A 3 18.009 13.281 -5.932 1.00 0.00 H new ATOM 0 HE22 GLN A 3 19.379 14.346 -6.257 1.00 0.00 H new ATOM 47 N PHE A 4 14.510 10.781 -8.040 1.00 0.00 N ATOM 48 CA PHE A 4 13.302 10.806 -7.210 1.00 0.00 C ATOM 49 C PHE A 4 12.464 9.513 -7.303 1.00 0.00 C ATOM 50 O PHE A 4 11.586 9.277 -6.470 1.00 0.00 O ATOM 51 CB PHE A 4 12.497 12.098 -7.440 1.00 0.00 C ATOM 52 CG PHE A 4 11.108 11.924 -8.025 1.00 0.00 C ATOM 53 CD1 PHE A 4 10.920 11.353 -9.299 1.00 0.00 C ATOM 54 CD2 PHE A 4 9.990 12.318 -7.268 1.00 0.00 C ATOM 55 CE1 PHE A 4 9.620 11.157 -9.795 1.00 0.00 C ATOM 56 CE2 PHE A 4 8.690 12.131 -7.769 1.00 0.00 C ATOM 57 CZ PHE A 4 8.508 11.553 -9.035 1.00 0.00 C ATOM 0 H PHE A 4 14.423 11.300 -8.914 1.00 0.00 H new ATOM 0 HA PHE A 4 13.626 10.827 -6.170 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.405 12.619 -6.487 1.00 0.00 H new ATOM 0 HB3 PHE A 4 13.070 12.746 -8.104 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.774 11.066 -9.894 1.00 0.00 H new ATOM 0 HD2 PHE A 4 10.131 12.767 -6.296 1.00 0.00 H new ATOM 0 HE1 PHE A 4 9.476 10.701 -10.763 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.835 12.431 -7.182 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.511 11.413 -9.425 1.00 0.00 H new ATOM 67 N GLU A 5 12.735 8.644 -8.281 1.00 0.00 N ATOM 68 CA GLU A 5 12.283 7.250 -8.291 1.00 0.00 C ATOM 69 C GLU A 5 13.179 6.438 -7.350 1.00 0.00 C ATOM 70 O GLU A 5 12.696 5.776 -6.433 1.00 0.00 O ATOM 71 CB GLU A 5 12.318 6.662 -9.708 1.00 0.00 C ATOM 72 CG GLU A 5 11.704 7.554 -10.795 1.00 0.00 C ATOM 73 CD GLU A 5 10.174 7.705 -10.729 1.00 0.00 C ATOM 74 OE1 GLU A 5 9.524 7.360 -9.713 1.00 0.00 O ATOM 75 OE2 GLU A 5 9.592 8.190 -11.725 1.00 0.00 O ATOM 0 H GLU A 5 13.285 8.894 -9.103 1.00 0.00 H new ATOM 0 HA GLU A 5 11.249 7.207 -7.950 1.00 0.00 H new ATOM 0 HB2 GLU A 5 13.354 6.453 -9.973 1.00 0.00 H new ATOM 0 HB3 GLU A 5 11.792 5.707 -9.702 1.00 0.00 H new ATOM 0 HG2 GLU A 5 12.154 8.544 -10.728 1.00 0.00 H new ATOM 0 HG3 GLU A 5 11.972 7.148 -11.770 1.00 0.00 H new ATOM 83 N LYS A 6 14.499 6.597 -7.485 1.00 0.00 N ATOM 84 CA LYS A 6 15.499 5.934 -6.646 1.00 0.00 C ATOM 85 C LYS A 6 15.223 6.138 -5.160 1.00 0.00 C ATOM 86 O LYS A 6 15.177 5.156 -4.428 1.00 0.00 O ATOM 87 CB LYS A 6 16.897 6.423 -7.060 1.00 0.00 C ATOM 88 CG LYS A 6 17.951 5.314 -7.014 1.00 0.00 C ATOM 89 CD LYS A 6 18.481 4.913 -5.621 1.00 0.00 C ATOM 90 CE LYS A 6 19.362 5.984 -4.959 1.00 0.00 C ATOM 91 NZ LYS A 6 19.837 5.545 -3.623 1.00 0.00 N ATOM 0 H LYS A 6 14.910 7.203 -8.195 1.00 0.00 H new ATOM 0 HA LYS A 6 15.445 4.857 -6.803 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.850 6.831 -8.069 1.00 0.00 H new ATOM 0 HB3 LYS A 6 17.202 7.236 -6.401 1.00 0.00 H new ATOM 0 HG2 LYS A 6 17.530 4.426 -7.486 1.00 0.00 H new ATOM 0 HG3 LYS A 6 18.799 5.627 -7.623 1.00 0.00 H new ATOM 0 HD2 LYS A 6 17.634 4.699 -4.969 1.00 0.00 H new ATOM 0 HD3 LYS A 6 19.054 3.991 -5.713 1.00 0.00 H new ATOM 0 HE2 LYS A 6 20.218 6.199 -5.598 1.00 0.00 H new ATOM 0 HE3 LYS A 6 18.797 6.911 -4.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 20.691 6.079 -3.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 19.094 5.719 -2.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 20.059 4.529 -3.650 1.00 0.00 H new ATOM 105 N GLN A 7 14.932 7.362 -4.710 1.00 0.00 N ATOM 106 CA GLN A 7 14.643 7.636 -3.302 1.00 0.00 C ATOM 107 C GLN A 7 13.329 6.999 -2.787 1.00 0.00 C ATOM 108 O GLN A 7 13.241 6.685 -1.601 1.00 0.00 O ATOM 109 CB GLN A 7 14.752 9.151 -3.048 1.00 0.00 C ATOM 110 CG GLN A 7 13.514 9.981 -3.400 1.00 0.00 C ATOM 111 CD GLN A 7 13.781 11.478 -3.231 1.00 0.00 C ATOM 112 OE1 GLN A 7 14.300 12.166 -4.101 1.00 0.00 O ATOM 113 NE2 GLN A 7 13.452 12.053 -2.101 1.00 0.00 N ATOM 0 H GLN A 7 14.891 8.186 -5.309 1.00 0.00 H new ATOM 0 HA GLN A 7 15.398 7.135 -2.697 1.00 0.00 H new ATOM 0 HB2 GLN A 7 14.982 9.307 -1.994 1.00 0.00 H new ATOM 0 HB3 GLN A 7 15.597 9.535 -3.619 1.00 0.00 H new ATOM 0 HG2 GLN A 7 13.217 9.776 -4.429 1.00 0.00 H new ATOM 0 HG3 GLN A 7 12.681 9.684 -2.763 1.00 0.00 H new ATOM 0 HE21 GLN A 7 13.018 11.506 -1.358 1.00 0.00 H new ATOM 0 HE22 GLN A 7 13.630 13.048 -1.964 1.00 0.00 H new ATOM 122 N LYS A 8 12.328 6.733 -3.647 1.00 0.00 N ATOM 123 CA LYS A 8 11.088 6.026 -3.249 1.00 0.00 C ATOM 124 C LYS A 8 11.199 4.500 -3.331 1.00 0.00 C ATOM 125 O LYS A 8 10.594 3.816 -2.508 1.00 0.00 O ATOM 126 CB LYS A 8 9.852 6.560 -4.000 1.00 0.00 C ATOM 127 CG LYS A 8 9.878 6.335 -5.515 1.00 0.00 C ATOM 128 CD LYS A 8 8.533 6.575 -6.198 1.00 0.00 C ATOM 129 CE LYS A 8 8.120 8.044 -6.356 1.00 0.00 C ATOM 130 NZ LYS A 8 8.945 8.729 -7.383 1.00 0.00 N ATOM 0 H LYS A 8 12.352 6.998 -4.632 1.00 0.00 H new ATOM 0 HA LYS A 8 10.948 6.251 -2.192 1.00 0.00 H new ATOM 0 HB2 LYS A 8 8.961 6.084 -3.591 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.760 7.629 -3.806 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.623 6.996 -5.958 1.00 0.00 H new ATOM 0 HG3 LYS A 8 10.199 5.313 -5.715 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.561 6.116 -7.186 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.760 6.059 -5.629 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.068 8.100 -6.635 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.224 8.558 -5.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.466 9.601 -7.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.874 8.967 -6.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.073 8.100 -8.201 1.00 0.00 H new ATOM 144 N GLU A 9 11.999 3.959 -4.251 1.00 0.00 N ATOM 145 CA GLU A 9 12.278 2.513 -4.329 1.00 0.00 C ATOM 146 C GLU A 9 13.291 2.079 -3.241 1.00 0.00 C ATOM 147 O GLU A 9 13.155 1.010 -2.637 1.00 0.00 O ATOM 148 CB GLU A 9 12.697 2.120 -5.761 1.00 0.00 C ATOM 149 CG GLU A 9 11.645 2.539 -6.811 1.00 0.00 C ATOM 150 CD GLU A 9 11.619 1.619 -8.036 1.00 0.00 C ATOM 151 OE1 GLU A 9 10.898 0.591 -7.999 1.00 0.00 O ATOM 152 OE2 GLU A 9 12.300 1.900 -9.055 1.00 0.00 O ATOM 0 H GLU A 9 12.476 4.507 -4.967 1.00 0.00 H new ATOM 0 HA GLU A 9 11.364 1.960 -4.115 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.652 2.587 -6.000 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.848 1.042 -5.811 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.659 2.544 -6.347 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.850 3.559 -7.135 1.00 0.00 H new ATOM 160 N GLN A 10 14.215 2.978 -2.878 1.00 0.00 N ATOM 161 CA GLN A 10 14.982 2.958 -1.627 1.00 0.00 C ATOM 162 C GLN A 10 14.043 2.975 -0.412 1.00 0.00 C ATOM 163 O GLN A 10 14.125 2.074 0.415 1.00 0.00 O ATOM 164 CB GLN A 10 15.959 4.148 -1.639 1.00 0.00 C ATOM 165 CG GLN A 10 16.752 4.392 -0.345 1.00 0.00 C ATOM 166 CD GLN A 10 17.781 5.519 -0.489 1.00 0.00 C ATOM 167 OE1 GLN A 10 17.994 6.091 -1.555 1.00 0.00 O ATOM 168 NE2 GLN A 10 18.471 5.893 0.564 1.00 0.00 N ATOM 0 H GLN A 10 14.458 3.771 -3.472 1.00 0.00 H new ATOM 0 HA GLN A 10 15.559 2.037 -1.547 1.00 0.00 H new ATOM 0 HB2 GLN A 10 16.669 3.999 -2.452 1.00 0.00 H new ATOM 0 HB3 GLN A 10 15.395 5.052 -1.870 1.00 0.00 H new ATOM 0 HG2 GLN A 10 16.060 4.638 0.460 1.00 0.00 H new ATOM 0 HG3 GLN A 10 17.263 3.473 -0.057 1.00 0.00 H new ATOM 0 HE21 GLN A 10 18.317 5.437 1.463 1.00 0.00 H new ATOM 0 HE22 GLN A 10 19.161 6.640 0.483 1.00 0.00 H new ATOM 177 N GLY A 11 13.102 3.925 -0.327 1.00 0.00 N ATOM 178 CA GLY A 11 12.107 3.985 0.756 1.00 0.00 C ATOM 179 C GLY A 11 11.307 2.687 0.933 1.00 0.00 C ATOM 180 O GLY A 11 11.198 2.175 2.046 1.00 0.00 O ATOM 0 H GLY A 11 13.008 4.677 -1.009 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.615 4.218 1.692 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.415 4.803 0.557 1.00 0.00 H new ATOM 184 N ASN A 12 10.822 2.107 -0.164 1.00 0.00 N ATOM 185 CA ASN A 12 10.162 0.798 -0.200 1.00 0.00 C ATOM 186 C ASN A 12 11.069 -0.306 0.370 1.00 0.00 C ATOM 187 O ASN A 12 10.656 -1.023 1.279 1.00 0.00 O ATOM 188 CB ASN A 12 9.763 0.529 -1.661 1.00 0.00 C ATOM 189 CG ASN A 12 9.685 -0.936 -2.039 1.00 0.00 C ATOM 190 OD1 ASN A 12 10.607 -1.475 -2.627 1.00 0.00 O ATOM 191 ND2 ASN A 12 8.627 -1.649 -1.740 1.00 0.00 N ATOM 0 H ASN A 12 10.878 2.547 -1.082 1.00 0.00 H new ATOM 0 HA ASN A 12 9.274 0.798 0.432 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.793 0.990 -1.849 1.00 0.00 H new ATOM 0 HB3 ASN A 12 10.482 1.021 -2.316 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.586 -2.635 -1.999 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.844 -1.218 -1.248 1.00 0.00 H new ATOM 198 N SER A 13 12.303 -0.409 -0.129 1.00 0.00 N ATOM 199 CA SER A 13 13.276 -1.426 0.294 1.00 0.00 C ATOM 200 C SER A 13 13.590 -1.311 1.791 1.00 0.00 C ATOM 201 O SER A 13 13.476 -2.284 2.538 1.00 0.00 O ATOM 202 CB SER A 13 14.565 -1.279 -0.523 1.00 0.00 C ATOM 203 OG SER A 13 14.311 -1.397 -1.916 1.00 0.00 O ATOM 0 H SER A 13 12.662 0.219 -0.848 1.00 0.00 H new ATOM 0 HA SER A 13 12.839 -2.409 0.117 1.00 0.00 H new ATOM 0 HB2 SER A 13 15.021 -0.311 -0.315 1.00 0.00 H new ATOM 0 HB3 SER A 13 15.281 -2.041 -0.216 1.00 0.00 H new ATOM 0 HG SER A 13 13.866 -0.585 -2.237 1.00 0.00 H new ATOM 209 N LEU A 14 13.871 -0.089 2.256 1.00 0.00 N ATOM 210 CA LEU A 14 14.108 0.233 3.663 1.00 0.00 C ATOM 211 C LEU A 14 12.935 -0.202 4.561 1.00 0.00 C ATOM 212 O LEU A 14 13.183 -0.697 5.659 1.00 0.00 O ATOM 213 CB LEU A 14 14.376 1.744 3.784 1.00 0.00 C ATOM 214 CG LEU A 14 15.718 2.239 3.202 1.00 0.00 C ATOM 215 CD1 LEU A 14 15.698 3.766 3.152 1.00 0.00 C ATOM 216 CD2 LEU A 14 16.921 1.810 4.039 1.00 0.00 C ATOM 0 H LEU A 14 13.941 0.725 1.645 1.00 0.00 H new ATOM 0 HA LEU A 14 14.978 -0.323 4.012 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.567 2.278 3.286 1.00 0.00 H new ATOM 0 HB3 LEU A 14 14.336 2.017 4.838 1.00 0.00 H new ATOM 0 HG LEU A 14 15.823 1.797 2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 14 16.641 4.129 2.743 1.00 0.00 H new ATOM 0 HD12 LEU A 14 14.875 4.099 2.519 1.00 0.00 H new ATOM 0 HD13 LEU A 14 15.564 4.161 4.159 1.00 0.00 H new ATOM 0 HD21 LEU A 14 17.836 2.187 3.581 1.00 0.00 H new ATOM 0 HD22 LEU A 14 16.826 2.215 5.047 1.00 0.00 H new ATOM 0 HD23 LEU A 14 16.961 0.722 4.088 1.00 0.00 H new ATOM 228 N PHE A 15 11.676 -0.120 4.108 1.00 0.00 N ATOM 229 CA PHE A 15 10.530 -0.649 4.865 1.00 0.00 C ATOM 230 C PHE A 15 10.527 -2.177 5.006 1.00 0.00 C ATOM 231 O PHE A 15 10.273 -2.672 6.106 1.00 0.00 O ATOM 232 CB PHE A 15 9.201 -0.158 4.273 1.00 0.00 C ATOM 233 CG PHE A 15 8.737 1.140 4.893 1.00 0.00 C ATOM 234 CD1 PHE A 15 8.361 1.151 6.246 1.00 0.00 C ATOM 235 CD2 PHE A 15 8.680 2.327 4.144 1.00 0.00 C ATOM 236 CE1 PHE A 15 7.991 2.353 6.867 1.00 0.00 C ATOM 237 CE2 PHE A 15 8.285 3.529 4.762 1.00 0.00 C ATOM 238 CZ PHE A 15 7.946 3.544 6.125 1.00 0.00 C ATOM 0 H PHE A 15 11.424 0.309 3.218 1.00 0.00 H new ATOM 0 HA PHE A 15 10.641 -0.253 5.875 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.314 -0.023 3.197 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.437 -0.921 4.421 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.357 0.230 6.811 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.939 2.318 3.096 1.00 0.00 H new ATOM 0 HE1 PHE A 15 7.740 2.362 7.917 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.243 4.442 4.186 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.652 4.468 6.600 1.00 0.00 H new ATOM 248 N LYS A 16 10.862 -2.933 3.951 1.00 0.00 N ATOM 249 CA LYS A 16 11.034 -4.398 4.066 1.00 0.00 C ATOM 250 C LYS A 16 12.178 -4.765 5.020 1.00 0.00 C ATOM 251 O LYS A 16 12.025 -5.659 5.849 1.00 0.00 O ATOM 252 CB LYS A 16 11.286 -5.061 2.702 1.00 0.00 C ATOM 253 CG LYS A 16 10.041 -5.293 1.827 1.00 0.00 C ATOM 254 CD LYS A 16 9.688 -4.096 0.934 1.00 0.00 C ATOM 255 CE LYS A 16 8.393 -3.358 1.303 1.00 0.00 C ATOM 256 NZ LYS A 16 7.198 -4.136 0.905 1.00 0.00 N ATOM 0 H LYS A 16 11.019 -2.563 3.013 1.00 0.00 H new ATOM 0 HA LYS A 16 10.096 -4.776 4.472 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.989 -4.443 2.143 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.772 -6.022 2.871 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.206 -6.168 1.199 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.191 -5.519 2.471 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.513 -3.385 0.966 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.607 -4.444 -0.096 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.369 -3.176 2.377 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.375 -2.384 0.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.404 -3.488 0.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.405 -4.670 0.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.945 -4.797 1.667 1.00 0.00 H new ATOM 270 N GLN A 17 13.303 -4.050 4.942 1.00 0.00 N ATOM 271 CA GLN A 17 14.476 -4.271 5.805 1.00 0.00 C ATOM 272 C GLN A 17 14.279 -3.811 7.264 1.00 0.00 C ATOM 273 O GLN A 17 14.932 -4.345 8.165 1.00 0.00 O ATOM 274 CB GLN A 17 15.690 -3.564 5.191 1.00 0.00 C ATOM 275 CG GLN A 17 16.225 -4.275 3.929 1.00 0.00 C ATOM 276 CD GLN A 17 16.394 -3.328 2.748 1.00 0.00 C ATOM 277 OE1 GLN A 17 15.979 -3.601 1.628 1.00 0.00 O ATOM 278 NE2 GLN A 17 17.031 -2.198 2.949 1.00 0.00 N ATOM 0 H GLN A 17 13.431 -3.292 4.272 1.00 0.00 H new ATOM 0 HA GLN A 17 14.633 -5.349 5.853 1.00 0.00 H new ATOM 0 HB2 GLN A 17 15.417 -2.540 4.937 1.00 0.00 H new ATOM 0 HB3 GLN A 17 16.485 -3.507 5.934 1.00 0.00 H new ATOM 0 HG2 GLN A 17 17.184 -4.739 4.158 1.00 0.00 H new ATOM 0 HG3 GLN A 17 15.541 -5.077 3.651 1.00 0.00 H new ATOM 0 HE21 GLN A 17 17.378 -1.967 3.880 1.00 0.00 H new ATOM 0 HE22 GLN A 17 17.179 -1.551 2.174 1.00 0.00 H new ATOM 287 N GLY A 18 13.380 -2.851 7.502 1.00 0.00 N ATOM 288 CA GLY A 18 12.935 -2.415 8.836 1.00 0.00 C ATOM 289 C GLY A 18 13.375 -1.012 9.267 1.00 0.00 C ATOM 290 O GLY A 18 13.243 -0.658 10.437 1.00 0.00 O ATOM 0 H GLY A 18 12.925 -2.337 6.748 1.00 0.00 H new ATOM 0 HA2 GLY A 18 11.846 -2.458 8.866 1.00 0.00 H new ATOM 0 HA3 GLY A 18 13.302 -3.131 9.571 1.00 0.00 H new ATOM 294 N LEU A 19 13.884 -0.204 8.335 1.00 0.00 N ATOM 295 CA LEU A 19 14.467 1.122 8.544 1.00 0.00 C ATOM 296 C LEU A 19 13.446 2.225 8.247 1.00 0.00 C ATOM 297 O LEU A 19 13.602 3.043 7.340 1.00 0.00 O ATOM 298 CB LEU A 19 15.771 1.224 7.736 1.00 0.00 C ATOM 299 CG LEU A 19 16.849 0.196 8.126 1.00 0.00 C ATOM 300 CD1 LEU A 19 18.067 0.384 7.228 1.00 0.00 C ATOM 301 CD2 LEU A 19 17.302 0.343 9.579 1.00 0.00 C ATOM 0 H LEU A 19 13.901 -0.476 7.352 1.00 0.00 H new ATOM 0 HA LEU A 19 14.730 1.268 9.592 1.00 0.00 H new ATOM 0 HB2 LEU A 19 15.538 1.103 6.678 1.00 0.00 H new ATOM 0 HB3 LEU A 19 16.182 2.226 7.859 1.00 0.00 H new ATOM 0 HG LEU A 19 16.408 -0.794 8.005 1.00 0.00 H new ATOM 0 HD11 LEU A 19 18.834 -0.341 7.499 1.00 0.00 H new ATOM 0 HD12 LEU A 19 17.778 0.235 6.188 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.460 1.393 7.355 1.00 0.00 H new ATOM 0 HD21 LEU A 19 18.062 -0.406 9.801 1.00 0.00 H new ATOM 0 HD22 LEU A 19 17.718 1.339 9.731 1.00 0.00 H new ATOM 0 HD23 LEU A 19 16.449 0.201 10.242 1.00 0.00 H new ATOM 313 N TYR A 20 12.362 2.221 9.018 1.00 0.00 N ATOM 314 CA TYR A 20 11.218 3.128 8.855 1.00 0.00 C ATOM 315 C TYR A 20 11.582 4.623 8.967 1.00 0.00 C ATOM 316 O TYR A 20 10.926 5.456 8.339 1.00 0.00 O ATOM 317 CB TYR A 20 10.147 2.823 9.915 1.00 0.00 C ATOM 318 CG TYR A 20 9.633 1.400 10.091 1.00 0.00 C ATOM 319 CD1 TYR A 20 9.832 0.381 9.134 1.00 0.00 C ATOM 320 CD2 TYR A 20 8.905 1.115 11.262 1.00 0.00 C ATOM 321 CE1 TYR A 20 9.318 -0.913 9.358 1.00 0.00 C ATOM 322 CE2 TYR A 20 8.398 -0.175 11.491 1.00 0.00 C ATOM 323 CZ TYR A 20 8.607 -1.198 10.544 1.00 0.00 C ATOM 324 OH TYR A 20 8.155 -2.458 10.796 1.00 0.00 O ATOM 0 H TYR A 20 12.247 1.571 9.796 1.00 0.00 H new ATOM 0 HA TYR A 20 10.850 2.951 7.845 1.00 0.00 H new ATOM 0 HB2 TYR A 20 10.543 3.146 10.878 1.00 0.00 H new ATOM 0 HB3 TYR A 20 9.286 3.454 9.696 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.380 0.593 8.228 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.735 1.894 11.990 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.469 -1.688 8.621 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.846 -0.384 12.396 1.00 0.00 H new ATOM 0 HH TYR A 20 7.688 -2.472 11.658 1.00 0.00 H new ATOM 334 N ARG A 21 12.602 4.997 9.754 1.00 0.00 N ATOM 335 CA ARG A 21 13.000 6.406 9.960 1.00 0.00 C ATOM 336 C ARG A 21 13.931 6.893 8.848 1.00 0.00 C ATOM 337 O ARG A 21 13.832 8.055 8.443 1.00 0.00 O ATOM 338 CB ARG A 21 13.606 6.629 11.364 1.00 0.00 C ATOM 339 CG ARG A 21 12.612 6.573 12.543 1.00 0.00 C ATOM 340 CD ARG A 21 12.158 5.150 12.895 1.00 0.00 C ATOM 341 NE ARG A 21 11.256 5.109 14.061 1.00 0.00 N ATOM 342 CZ ARG A 21 10.590 4.038 14.463 1.00 0.00 C ATOM 343 NH1 ARG A 21 10.764 2.867 13.931 1.00 0.00 N ATOM 344 NH2 ARG A 21 9.709 4.077 15.417 1.00 0.00 N ATOM 0 H ARG A 21 13.179 4.332 10.269 1.00 0.00 H new ATOM 0 HA ARG A 21 12.096 7.012 9.908 1.00 0.00 H new ATOM 0 HB2 ARG A 21 14.378 5.878 11.529 1.00 0.00 H new ATOM 0 HB3 ARG A 21 14.099 7.601 11.376 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.075 7.025 13.420 1.00 0.00 H new ATOM 0 HG3 ARG A 21 11.737 7.175 12.299 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.652 4.712 12.035 1.00 0.00 H new ATOM 0 HD3 ARG A 21 13.034 4.534 13.097 1.00 0.00 H new ATOM 0 HE ARG A 21 11.137 5.969 14.597 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.435 2.746 13.173 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.230 2.068 14.271 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.507 4.958 15.889 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.219 3.226 15.694 1.00 0.00 H new ATOM 358 N GLU A 22 14.763 6.012 8.288 1.00 0.00 N ATOM 359 CA GLU A 22 15.467 6.248 7.013 1.00 0.00 C ATOM 360 C GLU A 22 14.471 6.337 5.848 1.00 0.00 C ATOM 361 O GLU A 22 14.573 7.224 4.998 1.00 0.00 O ATOM 362 CB GLU A 22 16.451 5.102 6.714 1.00 0.00 C ATOM 363 CG GLU A 22 17.656 5.007 7.655 1.00 0.00 C ATOM 364 CD GLU A 22 18.786 5.941 7.220 1.00 0.00 C ATOM 365 OE1 GLU A 22 18.993 7.001 7.862 1.00 0.00 O ATOM 366 OE2 GLU A 22 19.496 5.612 6.238 1.00 0.00 O ATOM 0 H GLU A 22 14.973 5.105 8.706 1.00 0.00 H new ATOM 0 HA GLU A 22 16.008 7.189 7.112 1.00 0.00 H new ATOM 0 HB2 GLU A 22 15.906 4.159 6.753 1.00 0.00 H new ATOM 0 HB3 GLU A 22 16.817 5.217 5.694 1.00 0.00 H new ATOM 0 HG2 GLU A 22 17.346 5.258 8.670 1.00 0.00 H new ATOM 0 HG3 GLU A 22 18.021 3.980 7.677 1.00 0.00 H new ATOM 374 N ALA A 23 13.471 5.450 5.815 1.00 0.00 N ATOM 375 CA ALA A 23 12.499 5.420 4.729 1.00 0.00 C ATOM 376 C ALA A 23 11.621 6.678 4.695 1.00 0.00 C ATOM 377 O ALA A 23 11.501 7.317 3.648 1.00 0.00 O ATOM 378 CB ALA A 23 11.651 4.149 4.847 1.00 0.00 C ATOM 0 H ALA A 23 13.317 4.742 6.534 1.00 0.00 H new ATOM 0 HA ALA A 23 13.041 5.407 3.784 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.922 4.121 4.037 1.00 0.00 H new ATOM 0 HB2 ALA A 23 12.297 3.273 4.784 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.130 4.147 5.804 1.00 0.00 H new ATOM 384 N VAL A 24 11.058 7.079 5.841 1.00 0.00 N ATOM 385 CA VAL A 24 10.252 8.306 5.946 1.00 0.00 C ATOM 386 C VAL A 24 11.066 9.547 5.576 1.00 0.00 C ATOM 387 O VAL A 24 10.520 10.422 4.916 1.00 0.00 O ATOM 388 CB VAL A 24 9.587 8.421 7.332 1.00 0.00 C ATOM 389 CG1 VAL A 24 8.969 9.797 7.599 1.00 0.00 C ATOM 390 CG2 VAL A 24 8.448 7.397 7.437 1.00 0.00 C ATOM 0 H VAL A 24 11.146 6.567 6.719 1.00 0.00 H new ATOM 0 HA VAL A 24 9.445 8.241 5.217 1.00 0.00 H new ATOM 0 HB VAL A 24 10.379 8.247 8.060 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.519 9.807 8.592 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.745 10.561 7.544 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.203 10.003 6.851 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.976 7.477 8.416 1.00 0.00 H new ATOM 0 HG22 VAL A 24 7.708 7.595 6.661 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.849 6.392 7.308 1.00 0.00 H new ATOM 400 N HIS A 25 12.374 9.599 5.858 1.00 0.00 N ATOM 401 CA HIS A 25 13.236 10.692 5.391 1.00 0.00 C ATOM 402 C HIS A 25 13.266 10.807 3.856 1.00 0.00 C ATOM 403 O HIS A 25 13.151 11.904 3.308 1.00 0.00 O ATOM 404 CB HIS A 25 14.658 10.487 5.922 1.00 0.00 C ATOM 405 CG HIS A 25 15.602 11.592 5.516 1.00 0.00 C ATOM 406 ND1 HIS A 25 15.485 12.929 5.822 1.00 0.00 N ATOM 407 CD2 HIS A 25 16.671 11.469 4.667 1.00 0.00 C ATOM 408 CE1 HIS A 25 16.456 13.595 5.176 1.00 0.00 C ATOM 409 NE2 HIS A 25 17.209 12.746 4.452 1.00 0.00 N ATOM 0 H HIS A 25 12.860 8.893 6.410 1.00 0.00 H new ATOM 0 HA HIS A 25 12.818 11.622 5.776 1.00 0.00 H new ATOM 0 HB2 HIS A 25 14.628 10.423 7.010 1.00 0.00 H new ATOM 0 HB3 HIS A 25 15.043 9.535 5.557 1.00 0.00 H new ATOM 0 HD2 HIS A 25 17.036 10.548 4.238 1.00 0.00 H new ATOM 0 HE1 HIS A 25 16.611 14.662 5.230 1.00 0.00 H new ATOM 0 HE2 HIS A 25 18.009 12.984 3.866 1.00 0.00 H new ATOM 418 N CYS A 26 13.377 9.678 3.151 1.00 0.00 N ATOM 419 CA CYS A 26 13.430 9.657 1.687 1.00 0.00 C ATOM 420 C CYS A 26 12.079 10.025 1.048 1.00 0.00 C ATOM 421 O CYS A 26 12.059 10.702 0.016 1.00 0.00 O ATOM 422 CB CYS A 26 13.923 8.278 1.220 1.00 0.00 C ATOM 423 SG CYS A 26 15.545 7.867 1.934 1.00 0.00 S ATOM 0 H CYS A 26 13.433 8.754 3.579 1.00 0.00 H new ATOM 0 HA CYS A 26 14.133 10.420 1.355 1.00 0.00 H new ATOM 0 HB2 CYS A 26 13.197 7.516 1.504 1.00 0.00 H new ATOM 0 HB3 CYS A 26 13.990 8.265 0.132 1.00 0.00 H new ATOM 0 HG CYS A 26 15.403 7.569 3.191 1.00 0.00 H new ATOM 429 N TYR A 27 10.959 9.651 1.677 1.00 0.00 N ATOM 430 CA TYR A 27 9.613 10.071 1.270 1.00 0.00 C ATOM 431 C TYR A 27 9.321 11.543 1.599 1.00 0.00 C ATOM 432 O TYR A 27 8.780 12.253 0.753 1.00 0.00 O ATOM 433 CB TYR A 27 8.569 9.131 1.893 1.00 0.00 C ATOM 434 CG TYR A 27 8.556 7.731 1.299 1.00 0.00 C ATOM 435 CD1 TYR A 27 8.191 7.560 -0.048 1.00 0.00 C ATOM 436 CD2 TYR A 27 8.875 6.604 2.077 1.00 0.00 C ATOM 437 CE1 TYR A 27 8.125 6.276 -0.620 1.00 0.00 C ATOM 438 CE2 TYR A 27 8.827 5.316 1.508 1.00 0.00 C ATOM 439 CZ TYR A 27 8.446 5.149 0.162 1.00 0.00 C ATOM 440 OH TYR A 27 8.399 3.904 -0.373 1.00 0.00 O ATOM 0 H TYR A 27 10.962 9.040 2.494 1.00 0.00 H new ATOM 0 HA TYR A 27 9.555 9.998 0.184 1.00 0.00 H new ATOM 0 HB2 TYR A 27 8.757 9.057 2.964 1.00 0.00 H new ATOM 0 HB3 TYR A 27 7.580 9.574 1.772 1.00 0.00 H new ATOM 0 HD1 TYR A 27 7.958 8.425 -0.651 1.00 0.00 H new ATOM 0 HD2 TYR A 27 9.157 6.726 3.112 1.00 0.00 H new ATOM 0 HE1 TYR A 27 7.830 6.155 -1.652 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.083 4.454 2.106 1.00 0.00 H new ATOM 0 HH TYR A 27 9.085 3.820 -1.068 1.00 0.00 H new ATOM 450 N ASP A 28 9.748 12.037 2.760 1.00 0.00 N ATOM 451 CA ASP A 28 9.675 13.452 3.139 1.00 0.00 C ATOM 452 C ASP A 28 10.442 14.338 2.140 1.00 0.00 C ATOM 453 O ASP A 28 9.964 15.408 1.776 1.00 0.00 O ATOM 454 CB ASP A 28 10.215 13.591 4.572 1.00 0.00 C ATOM 455 CG ASP A 28 10.207 15.022 5.107 1.00 0.00 C ATOM 456 OD1 ASP A 28 9.149 15.689 5.036 1.00 0.00 O ATOM 457 OD2 ASP A 28 11.238 15.462 5.674 1.00 0.00 O ATOM 0 H ASP A 28 10.165 11.451 3.483 1.00 0.00 H new ATOM 0 HA ASP A 28 8.641 13.796 3.110 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.620 12.964 5.235 1.00 0.00 H new ATOM 0 HB3 ASP A 28 11.235 13.209 4.603 1.00 0.00 H new ATOM 463 N GLN A 29 11.570 13.862 1.601 1.00 0.00 N ATOM 464 CA GLN A 29 12.343 14.594 0.589 1.00 0.00 C ATOM 465 C GLN A 29 11.719 14.549 -0.819 1.00 0.00 C ATOM 466 O GLN A 29 12.074 15.385 -1.651 1.00 0.00 O ATOM 467 CB GLN A 29 13.810 14.122 0.592 1.00 0.00 C ATOM 468 CG GLN A 29 14.666 14.514 1.819 1.00 0.00 C ATOM 469 CD GLN A 29 13.949 15.324 2.900 1.00 0.00 C ATOM 470 OE1 GLN A 29 13.799 16.538 2.827 1.00 0.00 O ATOM 471 NE2 GLN A 29 13.435 14.687 3.921 1.00 0.00 N ATOM 0 H GLN A 29 11.973 12.960 1.853 1.00 0.00 H new ATOM 0 HA GLN A 29 12.317 15.647 0.870 1.00 0.00 H new ATOM 0 HB2 GLN A 29 13.817 13.035 0.506 1.00 0.00 H new ATOM 0 HB3 GLN A 29 14.296 14.516 -0.301 1.00 0.00 H new ATOM 0 HG2 GLN A 29 15.055 13.603 2.273 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.524 15.088 1.471 1.00 0.00 H new ATOM 0 HE21 GLN A 29 13.548 13.676 4.001 1.00 0.00 H new ATOM 0 HE22 GLN A 29 12.921 15.201 4.637 1.00 0.00 H new ATOM 480 N LEU A 30 10.750 13.662 -1.099 1.00 0.00 N ATOM 481 CA LEU A 30 9.871 13.853 -2.271 1.00 0.00 C ATOM 482 C LEU A 30 9.042 15.129 -2.109 1.00 0.00 C ATOM 483 O LEU A 30 8.838 15.849 -3.084 1.00 0.00 O ATOM 484 CB LEU A 30 8.870 12.699 -2.479 1.00 0.00 C ATOM 485 CG LEU A 30 9.437 11.284 -2.609 1.00 0.00 C ATOM 486 CD1 LEU A 30 8.270 10.298 -2.631 1.00 0.00 C ATOM 487 CD2 LEU A 30 10.221 11.088 -3.904 1.00 0.00 C ATOM 0 H LEU A 30 10.556 12.826 -0.548 1.00 0.00 H new ATOM 0 HA LEU A 30 10.541 13.902 -3.130 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.171 12.705 -1.642 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.292 12.913 -3.378 1.00 0.00 H new ATOM 0 HG LEU A 30 10.109 11.120 -1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.654 9.282 -2.723 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.700 10.388 -1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.622 10.520 -3.479 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.602 10.068 -3.948 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.566 11.267 -4.757 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.055 11.789 -3.934 1.00 0.00 H new ATOM 499 N ILE A 31 8.560 15.386 -0.889 1.00 0.00 N ATOM 500 CA ILE A 31 7.726 16.549 -0.565 1.00 0.00 C ATOM 501 C ILE A 31 8.583 17.817 -0.492 1.00 0.00 C ATOM 502 O ILE A 31 8.225 18.811 -1.109 1.00 0.00 O ATOM 503 CB ILE A 31 6.894 16.329 0.723 1.00 0.00 C ATOM 504 CG1 ILE A 31 6.163 14.965 0.680 1.00 0.00 C ATOM 505 CG2 ILE A 31 5.894 17.489 0.889 1.00 0.00 C ATOM 506 CD1 ILE A 31 5.258 14.665 1.881 1.00 0.00 C ATOM 0 H ILE A 31 8.741 14.783 -0.086 1.00 0.00 H new ATOM 0 HA ILE A 31 7.003 16.680 -1.370 1.00 0.00 H new ATOM 0 HB ILE A 31 7.563 16.313 1.583 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.560 14.924 -0.227 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.909 14.174 0.603 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.307 17.337 1.795 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.438 18.431 0.963 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.228 17.522 0.027 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.794 13.687 1.752 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.853 14.667 2.794 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.483 15.428 1.952 1.00 0.00 H new ATOM 518 N THR A 32 9.752 17.791 0.153 1.00 0.00 N ATOM 519 CA THR A 32 10.635 18.973 0.247 1.00 0.00 C ATOM 520 C THR A 32 11.084 19.477 -1.135 1.00 0.00 C ATOM 521 O THR A 32 11.199 20.684 -1.357 1.00 0.00 O ATOM 522 CB THR A 32 11.868 18.682 1.119 1.00 0.00 C ATOM 523 OG1 THR A 32 11.501 17.970 2.282 1.00 0.00 O ATOM 524 CG2 THR A 32 12.542 19.969 1.591 1.00 0.00 C ATOM 0 H THR A 32 10.117 16.963 0.623 1.00 0.00 H new ATOM 0 HA THR A 32 10.044 19.759 0.717 1.00 0.00 H new ATOM 0 HB THR A 32 12.550 18.102 0.497 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.252 17.413 2.575 1.00 0.00 H new ATOM 0 HG21 THR A 32 13.409 19.722 2.204 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.863 20.550 0.726 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.836 20.555 2.180 1.00 0.00 H new ATOM 532 N ALA A 33 11.269 18.570 -2.102 1.00 0.00 N ATOM 533 CA ALA A 33 11.555 18.918 -3.494 1.00 0.00 C ATOM 534 C ALA A 33 10.312 19.337 -4.311 1.00 0.00 C ATOM 535 O ALA A 33 10.452 19.999 -5.338 1.00 0.00 O ATOM 536 CB ALA A 33 12.251 17.710 -4.128 1.00 0.00 C ATOM 0 H ALA A 33 11.223 17.565 -1.936 1.00 0.00 H new ATOM 0 HA ALA A 33 12.193 19.802 -3.504 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.482 17.929 -5.170 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.174 17.497 -3.588 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.593 16.843 -4.077 1.00 0.00 H new ATOM 542 N GLN A 34 9.099 18.944 -3.900 1.00 0.00 N ATOM 543 CA GLN A 34 7.853 19.090 -4.675 1.00 0.00 C ATOM 544 C GLN A 34 6.635 19.396 -3.758 1.00 0.00 C ATOM 545 O GLN A 34 5.698 18.592 -3.696 1.00 0.00 O ATOM 546 CB GLN A 34 7.627 17.803 -5.499 1.00 0.00 C ATOM 547 CG GLN A 34 8.800 17.309 -6.365 1.00 0.00 C ATOM 548 CD GLN A 34 8.614 15.860 -6.780 1.00 0.00 C ATOM 549 OE1 GLN A 34 8.542 15.511 -7.950 1.00 0.00 O ATOM 550 NE2 GLN A 34 8.577 14.954 -5.830 1.00 0.00 N ATOM 0 H GLN A 34 8.950 18.502 -2.993 1.00 0.00 H new ATOM 0 HA GLN A 34 7.951 19.941 -5.349 1.00 0.00 H new ATOM 0 HB2 GLN A 34 7.355 17.003 -4.810 1.00 0.00 H new ATOM 0 HB3 GLN A 34 6.770 17.966 -6.152 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.887 17.935 -7.253 1.00 0.00 H new ATOM 0 HG3 GLN A 34 9.732 17.413 -5.810 1.00 0.00 H new ATOM 0 HE21 GLN A 34 8.637 15.238 -4.852 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.489 13.967 -6.070 1.00 0.00 H new ATOM 559 N PRO A 35 6.612 20.517 -2.999 1.00 0.00 N ATOM 560 CA PRO A 35 5.759 20.643 -1.805 1.00 0.00 C ATOM 561 C PRO A 35 4.246 20.624 -2.023 1.00 0.00 C ATOM 562 O PRO A 35 3.487 20.357 -1.082 1.00 0.00 O ATOM 563 CB PRO A 35 6.156 21.972 -1.169 1.00 0.00 C ATOM 564 CG PRO A 35 7.608 22.160 -1.592 1.00 0.00 C ATOM 565 CD PRO A 35 7.576 21.613 -3.018 1.00 0.00 C ATOM 0 HA PRO A 35 5.931 19.759 -1.191 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.527 22.789 -1.524 1.00 0.00 H new ATOM 0 HB3 PRO A 35 6.056 21.941 -0.084 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.914 23.206 -1.559 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.297 21.606 -0.954 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.277 22.385 -3.727 1.00 0.00 H new ATOM 0 HD3 PRO A 35 8.561 21.263 -3.325 1.00 0.00 H new ATOM 573 N GLN A 36 3.793 20.915 -3.244 1.00 0.00 N ATOM 574 CA GLN A 36 2.378 20.966 -3.601 1.00 0.00 C ATOM 575 C GLN A 36 1.984 19.847 -4.591 1.00 0.00 C ATOM 576 O GLN A 36 0.835 19.783 -5.030 1.00 0.00 O ATOM 577 CB GLN A 36 2.056 22.390 -4.095 1.00 0.00 C ATOM 578 CG GLN A 36 0.567 22.744 -3.985 1.00 0.00 C ATOM 579 CD GLN A 36 0.309 24.191 -4.384 1.00 0.00 C ATOM 580 OE1 GLN A 36 0.104 24.508 -5.549 1.00 0.00 O ATOM 581 NE2 GLN A 36 0.317 25.122 -3.458 1.00 0.00 N ATOM 0 H GLN A 36 4.413 21.126 -4.026 1.00 0.00 H new ATOM 0 HA GLN A 36 1.761 20.765 -2.725 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.638 23.108 -3.517 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.370 22.487 -5.134 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.015 22.080 -4.624 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.227 22.581 -2.962 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.487 24.871 -2.484 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.154 26.096 -3.713 1.00 0.00 H new ATOM 590 N ASN A 37 2.907 18.945 -4.954 1.00 0.00 N ATOM 591 CA ASN A 37 2.627 17.830 -5.858 1.00 0.00 C ATOM 592 C ASN A 37 1.974 16.648 -5.116 1.00 0.00 C ATOM 593 O ASN A 37 2.575 16.111 -4.175 1.00 0.00 O ATOM 594 CB ASN A 37 3.917 17.364 -6.549 1.00 0.00 C ATOM 595 CG ASN A 37 4.252 18.136 -7.806 1.00 0.00 C ATOM 596 OD1 ASN A 37 5.087 19.029 -7.820 1.00 0.00 O ATOM 597 ND2 ASN A 37 3.611 17.786 -8.894 1.00 0.00 N ATOM 0 H ASN A 37 3.872 18.972 -4.625 1.00 0.00 H new ATOM 0 HA ASN A 37 1.924 18.187 -6.610 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.746 17.454 -5.847 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.823 16.307 -6.798 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.805 18.261 -9.775 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.918 17.038 -8.860 1.00 0.00 H new ATOM 604 N PRO A 38 0.821 16.128 -5.576 1.00 0.00 N ATOM 605 CA PRO A 38 0.216 14.928 -4.995 1.00 0.00 C ATOM 606 C PRO A 38 1.079 13.664 -5.143 1.00 0.00 C ATOM 607 O PRO A 38 0.850 12.696 -4.415 1.00 0.00 O ATOM 608 CB PRO A 38 -1.139 14.786 -5.682 1.00 0.00 C ATOM 609 CG PRO A 38 -0.924 15.462 -7.037 1.00 0.00 C ATOM 610 CD PRO A 38 0.003 16.617 -6.681 1.00 0.00 C ATOM 0 HA PRO A 38 0.117 15.037 -3.915 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.424 13.740 -5.796 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -1.931 15.272 -5.112 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.471 14.785 -7.761 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.861 15.812 -7.470 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.621 16.902 -7.532 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.564 17.501 -6.389 1.00 0.00 H new ATOM 618 N VAL A 39 2.108 13.658 -6.003 1.00 0.00 N ATOM 619 CA VAL A 39 3.111 12.576 -6.071 1.00 0.00 C ATOM 620 C VAL A 39 3.808 12.342 -4.722 1.00 0.00 C ATOM 621 O VAL A 39 4.043 11.196 -4.347 1.00 0.00 O ATOM 622 CB VAL A 39 4.132 12.830 -7.206 1.00 0.00 C ATOM 623 CG1 VAL A 39 5.320 13.720 -6.811 1.00 0.00 C ATOM 624 CG2 VAL A 39 4.689 11.504 -7.732 1.00 0.00 C ATOM 0 H VAL A 39 2.272 14.406 -6.676 1.00 0.00 H new ATOM 0 HA VAL A 39 2.575 11.657 -6.307 1.00 0.00 H new ATOM 0 HB VAL A 39 3.567 13.363 -7.971 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.983 13.843 -7.667 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.953 14.696 -6.492 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.868 13.253 -5.992 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.405 11.701 -8.530 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.186 10.971 -6.921 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.873 10.895 -8.120 1.00 0.00 H new ATOM 634 N GLY A 40 4.085 13.395 -3.943 1.00 0.00 N ATOM 635 CA GLY A 40 4.709 13.262 -2.624 1.00 0.00 C ATOM 636 C GLY A 40 3.753 12.639 -1.606 1.00 0.00 C ATOM 637 O GLY A 40 4.070 11.633 -0.973 1.00 0.00 O ATOM 0 H GLY A 40 3.883 14.359 -4.209 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.605 12.647 -2.706 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.027 14.243 -2.271 1.00 0.00 H new ATOM 641 N TYR A 41 2.537 13.177 -1.516 1.00 0.00 N ATOM 642 CA TYR A 41 1.505 12.734 -0.573 1.00 0.00 C ATOM 643 C TYR A 41 0.989 11.309 -0.870 1.00 0.00 C ATOM 644 O TYR A 41 0.838 10.502 0.048 1.00 0.00 O ATOM 645 CB TYR A 41 0.394 13.797 -0.563 1.00 0.00 C ATOM 646 CG TYR A 41 0.906 15.163 -0.121 1.00 0.00 C ATOM 647 CD1 TYR A 41 1.219 15.390 1.235 1.00 0.00 C ATOM 648 CD2 TYR A 41 1.156 16.177 -1.070 1.00 0.00 C ATOM 649 CE1 TYR A 41 1.814 16.606 1.632 1.00 0.00 C ATOM 650 CE2 TYR A 41 1.747 17.394 -0.674 1.00 0.00 C ATOM 651 CZ TYR A 41 2.101 17.606 0.678 1.00 0.00 C ATOM 652 OH TYR A 41 2.738 18.748 1.056 1.00 0.00 O ATOM 0 H TYR A 41 2.233 13.950 -2.108 1.00 0.00 H new ATOM 0 HA TYR A 41 1.931 12.649 0.427 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.037 13.878 -1.561 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.406 13.477 0.105 1.00 0.00 H new ATOM 0 HD1 TYR A 41 1.003 14.631 1.972 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.893 16.020 -2.106 1.00 0.00 H new ATOM 0 HE1 TYR A 41 2.051 16.773 2.672 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.930 18.167 -1.406 1.00 0.00 H new ATOM 0 HH TYR A 41 2.987 19.262 0.260 1.00 0.00 H new ATOM 662 N SER A 42 0.829 10.939 -2.147 1.00 0.00 N ATOM 663 CA SER A 42 0.485 9.566 -2.573 1.00 0.00 C ATOM 664 C SER A 42 1.608 8.539 -2.362 1.00 0.00 C ATOM 665 O SER A 42 1.344 7.333 -2.369 1.00 0.00 O ATOM 666 CB SER A 42 0.025 9.547 -4.037 1.00 0.00 C ATOM 667 OG SER A 42 1.030 10.039 -4.895 1.00 0.00 O ATOM 0 H SER A 42 0.935 11.588 -2.927 1.00 0.00 H new ATOM 0 HA SER A 42 -0.334 9.260 -1.921 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.236 8.529 -4.325 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.876 10.150 -4.145 1.00 0.00 H new ATOM 0 HG SER A 42 1.042 11.018 -4.857 1.00 0.00 H new ATOM 673 N ASN A 43 2.842 8.990 -2.113 1.00 0.00 N ATOM 674 CA ASN A 43 3.950 8.150 -1.655 1.00 0.00 C ATOM 675 C ASN A 43 4.046 8.111 -0.115 1.00 0.00 C ATOM 676 O ASN A 43 4.203 7.030 0.451 1.00 0.00 O ATOM 677 CB ASN A 43 5.248 8.623 -2.329 1.00 0.00 C ATOM 678 CG ASN A 43 5.464 8.007 -3.702 1.00 0.00 C ATOM 679 OD1 ASN A 43 6.172 7.026 -3.840 1.00 0.00 O ATOM 680 ND2 ASN A 43 4.885 8.565 -4.737 1.00 0.00 N ATOM 0 H ASN A 43 3.102 9.970 -2.227 1.00 0.00 H new ATOM 0 HA ASN A 43 3.769 7.117 -1.952 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.227 9.709 -2.423 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.094 8.375 -1.689 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.025 8.178 -5.670 1.00 0.00 H new ATOM 0 HD22 ASN A 43 4.294 9.386 -4.609 1.00 0.00 H new ATOM 687 N LYS A 44 3.865 9.238 0.593 1.00 0.00 N ATOM 688 CA LYS A 44 3.845 9.279 2.072 1.00 0.00 C ATOM 689 C LYS A 44 2.694 8.452 2.665 1.00 0.00 C ATOM 690 O LYS A 44 2.907 7.733 3.639 1.00 0.00 O ATOM 691 CB LYS A 44 3.847 10.743 2.557 1.00 0.00 C ATOM 692 CG LYS A 44 3.916 10.867 4.094 1.00 0.00 C ATOM 693 CD LYS A 44 4.120 12.322 4.544 1.00 0.00 C ATOM 694 CE LYS A 44 4.056 12.451 6.074 1.00 0.00 C ATOM 695 NZ LYS A 44 4.257 13.851 6.506 1.00 0.00 N ATOM 0 H LYS A 44 3.728 10.151 0.159 1.00 0.00 H new ATOM 0 HA LYS A 44 4.754 8.805 2.442 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.697 11.265 2.117 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.946 11.241 2.198 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.997 10.478 4.531 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.733 10.253 4.471 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.085 12.683 4.187 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.356 12.955 4.092 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.090 12.094 6.431 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.818 11.816 6.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.208 13.905 7.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.189 14.183 6.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.515 14.452 6.093 1.00 0.00 H new ATOM 709 N ALA A 45 1.521 8.431 2.031 1.00 0.00 N ATOM 710 CA ALA A 45 0.438 7.518 2.407 1.00 0.00 C ATOM 711 C ALA A 45 0.831 6.028 2.278 1.00 0.00 C ATOM 712 O ALA A 45 0.448 5.211 3.115 1.00 0.00 O ATOM 713 CB ALA A 45 -0.790 7.851 1.553 1.00 0.00 C ATOM 0 H ALA A 45 1.294 9.042 1.247 1.00 0.00 H new ATOM 0 HA ALA A 45 0.212 7.663 3.463 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.609 7.182 1.817 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.091 8.883 1.735 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.545 7.725 0.498 1.00 0.00 H new ATOM 719 N MET A 46 1.648 5.677 1.276 1.00 0.00 N ATOM 720 CA MET A 46 2.180 4.321 1.092 1.00 0.00 C ATOM 721 C MET A 46 3.184 3.954 2.189 1.00 0.00 C ATOM 722 O MET A 46 3.126 2.854 2.735 1.00 0.00 O ATOM 723 CB MET A 46 2.839 4.209 -0.287 1.00 0.00 C ATOM 724 CG MET A 46 2.851 2.784 -0.831 1.00 0.00 C ATOM 725 SD MET A 46 1.217 2.120 -1.235 1.00 0.00 S ATOM 726 CE MET A 46 1.710 0.880 -2.458 1.00 0.00 C ATOM 0 H MET A 46 1.962 6.335 0.562 1.00 0.00 H new ATOM 0 HA MET A 46 1.349 3.619 1.159 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.311 4.855 -0.989 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.863 4.576 -0.224 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.472 2.756 -1.726 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.322 2.132 -0.096 1.00 0.00 H new ATOM 0 HE1 MET A 46 0.825 0.360 -2.826 1.00 0.00 H new ATOM 0 HE2 MET A 46 2.215 1.370 -3.290 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.386 0.161 -1.995 1.00 0.00 H new ATOM 736 N ALA A 47 4.062 4.894 2.557 1.00 0.00 N ATOM 737 CA ALA A 47 4.982 4.749 3.682 1.00 0.00 C ATOM 738 C ALA A 47 4.224 4.474 4.991 1.00 0.00 C ATOM 739 O ALA A 47 4.551 3.529 5.704 1.00 0.00 O ATOM 740 CB ALA A 47 5.835 6.020 3.776 1.00 0.00 C ATOM 0 H ALA A 47 4.152 5.787 2.073 1.00 0.00 H new ATOM 0 HA ALA A 47 5.632 3.890 3.519 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.529 5.931 4.611 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.396 6.151 2.850 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.187 6.882 3.933 1.00 0.00 H new ATOM 746 N LEU A 48 3.155 5.228 5.269 1.00 0.00 N ATOM 747 CA LEU A 48 2.334 5.062 6.473 1.00 0.00 C ATOM 748 C LEU A 48 1.704 3.657 6.583 1.00 0.00 C ATOM 749 O LEU A 48 1.672 3.107 7.686 1.00 0.00 O ATOM 750 CB LEU A 48 1.283 6.191 6.512 1.00 0.00 C ATOM 751 CG LEU A 48 1.878 7.581 6.829 1.00 0.00 C ATOM 752 CD1 LEU A 48 0.904 8.690 6.424 1.00 0.00 C ATOM 753 CD2 LEU A 48 2.196 7.738 8.318 1.00 0.00 C ATOM 0 H LEU A 48 2.832 5.978 4.658 1.00 0.00 H new ATOM 0 HA LEU A 48 2.976 5.141 7.351 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.773 6.234 5.550 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.529 5.948 7.261 1.00 0.00 H new ATOM 0 HG LEU A 48 2.803 7.663 6.258 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.342 9.661 6.655 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.706 8.627 5.354 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.030 8.573 6.974 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.612 8.729 8.499 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.282 7.617 8.900 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.920 6.980 8.617 1.00 0.00 H new ATOM 765 N ILE A 49 1.296 3.022 5.471 1.00 0.00 N ATOM 766 CA ILE A 49 0.784 1.630 5.482 1.00 0.00 C ATOM 767 C ILE A 49 1.873 0.546 5.428 1.00 0.00 C ATOM 768 O ILE A 49 1.608 -0.600 5.792 1.00 0.00 O ATOM 769 CB ILE A 49 -0.299 1.380 4.409 1.00 0.00 C ATOM 770 CG1 ILE A 49 0.226 1.405 2.958 1.00 0.00 C ATOM 771 CG2 ILE A 49 -1.430 2.400 4.594 1.00 0.00 C ATOM 772 CD1 ILE A 49 -0.795 0.886 1.936 1.00 0.00 C ATOM 0 H ILE A 49 1.309 3.449 4.545 1.00 0.00 H new ATOM 0 HA ILE A 49 0.316 1.535 6.462 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.665 0.365 4.560 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.505 2.426 2.697 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.132 0.802 2.896 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.199 2.231 3.840 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.864 2.286 5.587 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.032 3.409 4.486 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.364 0.930 0.936 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.056 -0.145 2.174 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.692 1.504 1.972 1.00 0.00 H new ATOM 784 N LYS A 50 3.100 0.890 5.020 1.00 0.00 N ATOM 785 CA LYS A 50 4.295 0.032 5.137 1.00 0.00 C ATOM 786 C LYS A 50 4.947 0.116 6.537 1.00 0.00 C ATOM 787 O LYS A 50 5.702 -0.786 6.898 1.00 0.00 O ATOM 788 CB LYS A 50 5.244 0.322 3.947 1.00 0.00 C ATOM 789 CG LYS A 50 5.677 -0.953 3.195 1.00 0.00 C ATOM 790 CD LYS A 50 4.551 -1.743 2.502 1.00 0.00 C ATOM 791 CE LYS A 50 3.873 -0.991 1.350 1.00 0.00 C ATOM 792 NZ LYS A 50 2.849 -1.857 0.716 1.00 0.00 N ATOM 0 H LYS A 50 3.299 1.793 4.589 1.00 0.00 H new ATOM 0 HA LYS A 50 4.009 -1.017 5.063 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.747 0.997 3.250 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.131 0.839 4.314 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.415 -0.674 2.442 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.177 -1.616 3.901 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.961 -2.678 2.120 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.797 -2.005 3.244 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.409 -0.078 1.723 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.617 -0.692 0.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.393 -1.342 -0.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.302 -2.716 0.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.132 -2.121 1.422 1.00 0.00 H new ATOM 806 N LEU A 51 4.580 1.129 7.337 1.00 0.00 N ATOM 807 CA LEU A 51 4.983 1.372 8.733 1.00 0.00 C ATOM 808 C LEU A 51 3.961 0.790 9.727 1.00 0.00 C ATOM 809 O LEU A 51 4.340 0.054 10.641 1.00 0.00 O ATOM 810 CB LEU A 51 5.148 2.901 8.919 1.00 0.00 C ATOM 811 CG LEU A 51 6.034 3.384 10.085 1.00 0.00 C ATOM 812 CD1 LEU A 51 6.129 4.908 10.033 1.00 0.00 C ATOM 813 CD2 LEU A 51 5.536 2.989 11.472 1.00 0.00 C ATOM 0 H LEU A 51 3.947 1.854 7.001 1.00 0.00 H new ATOM 0 HA LEU A 51 5.927 0.867 8.940 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.556 3.310 7.995 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.156 3.333 9.049 1.00 0.00 H new ATOM 0 HG LEU A 51 6.998 2.895 9.948 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.754 5.262 10.853 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.570 5.213 9.084 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.132 5.338 10.125 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.222 3.372 12.228 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.544 3.410 11.636 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.486 1.903 11.545 1.00 0.00 H new ATOM 825 N GLY A 52 2.670 1.102 9.549 1.00 0.00 N ATOM 826 CA GLY A 52 1.573 0.642 10.416 1.00 0.00 C ATOM 827 C GLY A 52 0.647 1.733 10.986 1.00 0.00 C ATOM 828 O GLY A 52 -0.094 1.475 11.932 1.00 0.00 O ATOM 0 H GLY A 52 2.351 1.694 8.782 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.963 -0.063 9.851 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.006 0.091 11.251 1.00 0.00 H new ATOM 832 N GLU A 53 0.666 2.950 10.437 1.00 0.00 N ATOM 833 CA GLU A 53 -0.182 4.088 10.848 1.00 0.00 C ATOM 834 C GLU A 53 -1.301 4.315 9.809 1.00 0.00 C ATOM 835 O GLU A 53 -1.469 5.396 9.238 1.00 0.00 O ATOM 836 CB GLU A 53 0.683 5.328 11.151 1.00 0.00 C ATOM 837 CG GLU A 53 1.801 5.121 12.199 1.00 0.00 C ATOM 838 CD GLU A 53 1.312 4.925 13.645 1.00 0.00 C ATOM 839 OE1 GLU A 53 2.049 4.300 14.455 1.00 0.00 O ATOM 840 OE2 GLU A 53 0.223 5.444 14.002 1.00 0.00 O ATOM 0 H GLU A 53 1.292 3.186 9.667 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.691 3.863 11.785 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.139 5.667 10.221 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.030 6.129 11.496 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.392 4.251 11.911 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.468 5.983 12.171 1.00 0.00 H new ATOM 848 N TYR A 54 -2.060 3.253 9.513 1.00 0.00 N ATOM 849 CA TYR A 54 -3.073 3.236 8.447 1.00 0.00 C ATOM 850 C TYR A 54 -4.192 4.271 8.664 1.00 0.00 C ATOM 851 O TYR A 54 -4.708 4.811 7.685 1.00 0.00 O ATOM 852 CB TYR A 54 -3.679 1.828 8.263 1.00 0.00 C ATOM 853 CG TYR A 54 -2.771 0.649 8.579 1.00 0.00 C ATOM 854 CD1 TYR A 54 -2.644 0.198 9.909 1.00 0.00 C ATOM 855 CD2 TYR A 54 -2.076 -0.015 7.549 1.00 0.00 C ATOM 856 CE1 TYR A 54 -1.825 -0.907 10.206 1.00 0.00 C ATOM 857 CE2 TYR A 54 -1.241 -1.110 7.847 1.00 0.00 C ATOM 858 CZ TYR A 54 -1.122 -1.564 9.177 1.00 0.00 C ATOM 859 OH TYR A 54 -0.318 -2.617 9.476 1.00 0.00 O ATOM 0 H TYR A 54 -1.988 2.367 10.014 1.00 0.00 H new ATOM 0 HA TYR A 54 -2.547 3.515 7.534 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.565 1.754 8.893 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -4.013 1.733 7.230 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.177 0.702 10.702 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -2.184 0.317 6.527 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.735 -1.252 11.225 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.692 -1.602 7.057 1.00 0.00 H new ATOM 0 HH TYR A 54 0.093 -2.958 8.654 1.00 0.00 H new ATOM 869 N THR A 55 -4.520 4.619 9.916 1.00 0.00 N ATOM 870 CA THR A 55 -5.479 5.696 10.243 1.00 0.00 C ATOM 871 C THR A 55 -5.016 7.059 9.705 1.00 0.00 C ATOM 872 O THR A 55 -5.849 7.884 9.316 1.00 0.00 O ATOM 873 CB THR A 55 -5.698 5.788 11.763 1.00 0.00 C ATOM 874 OG1 THR A 55 -6.091 4.534 12.281 1.00 0.00 O ATOM 875 CG2 THR A 55 -6.803 6.768 12.151 1.00 0.00 C ATOM 0 H THR A 55 -4.128 4.161 10.739 1.00 0.00 H new ATOM 0 HA THR A 55 -6.421 5.441 9.757 1.00 0.00 H new ATOM 0 HB THR A 55 -4.745 6.127 12.170 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.225 4.607 13.249 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.908 6.787 13.236 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.547 7.765 11.794 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.744 6.452 11.701 1.00 0.00 H new ATOM 883 N GLN A 56 -3.700 7.279 9.599 1.00 0.00 N ATOM 884 CA GLN A 56 -3.135 8.467 8.944 1.00 0.00 C ATOM 885 C GLN A 56 -3.215 8.356 7.412 1.00 0.00 C ATOM 886 O GLN A 56 -3.464 9.345 6.719 1.00 0.00 O ATOM 887 CB GLN A 56 -1.672 8.679 9.366 1.00 0.00 C ATOM 888 CG GLN A 56 -1.405 8.500 10.863 1.00 0.00 C ATOM 889 CD GLN A 56 -2.297 9.317 11.782 1.00 0.00 C ATOM 890 OE1 GLN A 56 -2.568 10.491 11.560 1.00 0.00 O ATOM 891 NE2 GLN A 56 -2.759 8.720 12.855 1.00 0.00 N ATOM 0 H GLN A 56 -2.996 6.638 9.965 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.729 9.324 9.262 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -1.044 7.981 8.813 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.366 9.683 9.074 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.522 7.446 11.113 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.366 8.762 11.064 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.529 7.742 13.033 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -3.348 9.233 13.511 1.00 0.00 H new ATOM 900 N ALA A 57 -3.030 7.151 6.865 1.00 0.00 N ATOM 901 CA ALA A 57 -3.036 6.913 5.422 1.00 0.00 C ATOM 902 C ALA A 57 -4.430 7.056 4.784 1.00 0.00 C ATOM 903 O ALA A 57 -4.537 7.615 3.690 1.00 0.00 O ATOM 904 CB ALA A 57 -2.446 5.532 5.150 1.00 0.00 C ATOM 0 H ALA A 57 -2.871 6.308 7.417 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.425 7.684 4.954 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.445 5.342 4.077 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.424 5.492 5.527 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.047 4.774 5.652 1.00 0.00 H new ATOM 910 N ILE A 58 -5.502 6.616 5.462 1.00 0.00 N ATOM 911 CA ILE A 58 -6.885 6.801 4.977 1.00 0.00 C ATOM 912 C ILE A 58 -7.283 8.285 4.926 1.00 0.00 C ATOM 913 O ILE A 58 -7.984 8.702 4.003 1.00 0.00 O ATOM 914 CB ILE A 58 -7.910 5.961 5.780 1.00 0.00 C ATOM 915 CG1 ILE A 58 -7.989 6.383 7.262 1.00 0.00 C ATOM 916 CG2 ILE A 58 -7.602 4.459 5.631 1.00 0.00 C ATOM 917 CD1 ILE A 58 -9.033 5.629 8.092 1.00 0.00 C ATOM 0 H ILE A 58 -5.439 6.126 6.354 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.905 6.426 3.954 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.897 6.155 5.359 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.010 6.239 7.719 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.209 7.449 7.310 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.330 3.880 6.200 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.658 4.179 4.579 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.600 4.254 6.008 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -9.014 5.994 9.119 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.023 5.793 7.667 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.805 4.563 8.082 1.00 0.00 H new ATOM 929 N GLN A 59 -6.770 9.103 5.852 1.00 0.00 N ATOM 930 CA GLN A 59 -6.920 10.558 5.815 1.00 0.00 C ATOM 931 C GLN A 59 -6.125 11.159 4.647 1.00 0.00 C ATOM 932 O GLN A 59 -6.660 11.973 3.890 1.00 0.00 O ATOM 933 CB GLN A 59 -6.523 11.140 7.181 1.00 0.00 C ATOM 934 CG GLN A 59 -6.656 12.670 7.282 1.00 0.00 C ATOM 935 CD GLN A 59 -5.521 13.453 6.619 1.00 0.00 C ATOM 936 OE1 GLN A 59 -4.397 12.996 6.481 1.00 0.00 O ATOM 937 NE2 GLN A 59 -5.773 14.649 6.155 1.00 0.00 N ATOM 0 H GLN A 59 -6.235 8.769 6.654 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.961 10.824 5.633 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.143 10.682 7.952 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.491 10.862 7.395 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.600 12.970 6.828 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -6.705 12.949 8.335 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -6.705 15.051 6.259 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -5.038 15.181 5.689 1.00 0.00 H new ATOM 946 N MET A 60 -4.872 10.732 4.459 1.00 0.00 N ATOM 947 CA MET A 60 -3.970 11.332 3.472 1.00 0.00 C ATOM 948 C MET A 60 -4.324 10.953 2.025 1.00 0.00 C ATOM 949 O MET A 60 -4.167 11.779 1.127 1.00 0.00 O ATOM 950 CB MET A 60 -2.520 11.010 3.848 1.00 0.00 C ATOM 951 CG MET A 60 -1.513 11.720 2.933 1.00 0.00 C ATOM 952 SD MET A 60 0.219 11.576 3.452 1.00 0.00 S ATOM 953 CE MET A 60 0.214 12.717 4.864 1.00 0.00 C ATOM 0 H MET A 60 -4.456 9.963 4.985 1.00 0.00 H new ATOM 0 HA MET A 60 -4.096 12.414 3.500 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.340 11.305 4.882 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.363 9.933 3.792 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.611 11.315 1.926 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.775 12.777 2.879 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.236 12.875 5.208 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.218 13.670 4.560 1.00 0.00 H new ATOM 0 HE3 MET A 60 -0.379 12.291 5.674 1.00 0.00 H new ATOM 963 N CYS A 61 -4.879 9.759 1.773 1.00 0.00 N ATOM 964 CA CYS A 61 -5.360 9.415 0.430 1.00 0.00 C ATOM 965 C CYS A 61 -6.569 10.279 0.026 1.00 0.00 C ATOM 966 O CYS A 61 -6.608 10.783 -1.094 1.00 0.00 O ATOM 967 CB CYS A 61 -5.635 7.905 0.291 1.00 0.00 C ATOM 968 SG CYS A 61 -4.121 6.952 0.556 1.00 0.00 S ATOM 0 H CYS A 61 -5.004 9.026 2.471 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.562 9.646 -0.276 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.393 7.601 1.013 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.035 7.693 -0.700 1.00 0.00 H new ATOM 0 HG CYS A 61 -3.850 6.912 1.827 1.00 0.00 H new ATOM 974 N GLN A 62 -7.499 10.553 0.947 1.00 0.00 N ATOM 975 CA GLN A 62 -8.620 11.474 0.700 1.00 0.00 C ATOM 976 C GLN A 62 -8.146 12.927 0.534 1.00 0.00 C ATOM 977 O GLN A 62 -8.618 13.623 -0.365 1.00 0.00 O ATOM 978 CB GLN A 62 -9.661 11.323 1.822 1.00 0.00 C ATOM 979 CG GLN A 62 -10.327 9.938 1.787 1.00 0.00 C ATOM 980 CD GLN A 62 -11.299 9.728 2.941 1.00 0.00 C ATOM 981 OE1 GLN A 62 -12.499 9.930 2.812 1.00 0.00 O ATOM 982 NE2 GLN A 62 -10.820 9.310 4.092 1.00 0.00 N ATOM 0 H GLN A 62 -7.499 10.146 1.882 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.091 11.209 -0.246 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.180 11.473 2.789 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.422 12.097 1.721 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.858 9.818 0.843 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.557 9.167 1.820 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.819 9.142 4.197 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.449 9.153 4.880 1.00 0.00 H new ATOM 991 N GLN A 63 -7.139 13.355 1.303 1.00 0.00 N ATOM 992 CA GLN A 63 -6.477 14.650 1.115 1.00 0.00 C ATOM 993 C GLN A 63 -5.788 14.751 -0.257 1.00 0.00 C ATOM 994 O GLN A 63 -5.738 15.838 -0.823 1.00 0.00 O ATOM 995 CB GLN A 63 -5.517 14.892 2.296 1.00 0.00 C ATOM 996 CG GLN A 63 -4.650 16.163 2.214 1.00 0.00 C ATOM 997 CD GLN A 63 -3.231 15.858 1.739 1.00 0.00 C ATOM 998 OE1 GLN A 63 -3.000 15.731 0.449 1.00 0.00 O flip ATOM 999 NE2 GLN A 63 -2.317 15.680 2.532 1.00 0.00 N flip ATOM 0 H GLN A 63 -6.759 12.810 2.077 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.223 15.445 1.112 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.105 14.936 3.213 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.855 14.030 2.383 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -5.115 16.876 1.533 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.610 16.638 3.194 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.485 15.776 3.534 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.387 15.436 2.192 1.00 0.00 H new ATOM 1008 N GLY A 64 -5.273 13.660 -0.834 1.00 0.00 N ATOM 1009 CA GLY A 64 -4.718 13.666 -2.195 1.00 0.00 C ATOM 1010 C GLY A 64 -5.772 13.638 -3.309 1.00 0.00 C ATOM 1011 O GLY A 64 -5.515 14.175 -4.383 1.00 0.00 O ATOM 0 H GLY A 64 -5.228 12.751 -0.374 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.100 14.555 -2.318 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.062 12.803 -2.311 1.00 0.00 H new ATOM 1015 N LEU A 65 -6.987 13.128 -3.060 1.00 0.00 N ATOM 1016 CA LEU A 65 -8.116 13.277 -3.998 1.00 0.00 C ATOM 1017 C LEU A 65 -8.508 14.755 -4.211 1.00 0.00 C ATOM 1018 O LEU A 65 -9.011 15.083 -5.283 1.00 0.00 O ATOM 1019 CB LEU A 65 -9.312 12.409 -3.566 1.00 0.00 C ATOM 1020 CG LEU A 65 -9.060 10.892 -3.679 1.00 0.00 C ATOM 1021 CD1 LEU A 65 -10.253 10.119 -3.115 1.00 0.00 C ATOM 1022 CD2 LEU A 65 -8.837 10.428 -5.122 1.00 0.00 C ATOM 0 H LEU A 65 -7.216 12.606 -2.214 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.784 12.912 -4.970 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.567 12.648 -2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.176 12.670 -4.177 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.152 10.692 -3.110 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.066 9.049 -3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.394 10.381 -2.066 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.151 10.375 -3.677 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.665 9.352 -5.136 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.718 10.662 -5.720 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.969 10.939 -5.539 1.00 0.00 H new ATOM 1034 N ARG A 66 -8.171 15.660 -3.275 1.00 0.00 N ATOM 1035 CA ARG A 66 -8.288 17.132 -3.443 1.00 0.00 C ATOM 1036 C ARG A 66 -7.376 17.742 -4.535 1.00 0.00 C ATOM 1037 O ARG A 66 -7.426 18.954 -4.756 1.00 0.00 O ATOM 1038 CB ARG A 66 -8.039 17.878 -2.114 1.00 0.00 C ATOM 1039 CG ARG A 66 -8.866 17.415 -0.902 1.00 0.00 C ATOM 1040 CD ARG A 66 -8.565 18.325 0.301 1.00 0.00 C ATOM 1041 NE ARG A 66 -9.246 17.879 1.532 1.00 0.00 N ATOM 1042 CZ ARG A 66 -9.345 18.558 2.664 1.00 0.00 C ATOM 1043 NH1 ARG A 66 -8.856 19.748 2.829 1.00 0.00 N ATOM 1044 NH2 ARG A 66 -9.941 18.059 3.701 1.00 0.00 N ATOM 0 H ARG A 66 -7.803 15.391 -2.363 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.316 17.273 -3.776 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.983 17.784 -1.862 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.235 18.938 -2.276 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.929 17.448 -1.140 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.626 16.380 -0.658 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.489 18.350 0.474 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.874 19.344 0.068 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.683 16.958 1.508 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.365 20.208 2.063 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.963 20.224 3.725 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -10.346 17.124 3.656 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.005 18.601 4.563 1.00 0.00 H new ATOM 1058 N TYR A 67 -6.535 16.943 -5.198 1.00 0.00 N ATOM 1059 CA TYR A 67 -5.543 17.369 -6.200 1.00 0.00 C ATOM 1060 C TYR A 67 -5.787 16.690 -7.571 1.00 0.00 C ATOM 1061 O TYR A 67 -4.852 16.203 -8.208 1.00 0.00 O ATOM 1062 CB TYR A 67 -4.122 17.104 -5.652 1.00 0.00 C ATOM 1063 CG TYR A 67 -3.680 17.907 -4.433 1.00 0.00 C ATOM 1064 CD1 TYR A 67 -4.137 17.557 -3.146 1.00 0.00 C ATOM 1065 CD2 TYR A 67 -2.758 18.966 -4.576 1.00 0.00 C ATOM 1066 CE1 TYR A 67 -3.713 18.290 -2.018 1.00 0.00 C ATOM 1067 CE2 TYR A 67 -2.310 19.684 -3.447 1.00 0.00 C ATOM 1068 CZ TYR A 67 -2.797 19.354 -2.165 1.00 0.00 C ATOM 1069 OH TYR A 67 -2.386 20.058 -1.075 1.00 0.00 O ATOM 0 H TYR A 67 -6.524 15.934 -5.047 1.00 0.00 H new ATOM 0 HA TYR A 67 -5.648 18.439 -6.378 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.049 16.045 -5.403 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.410 17.292 -6.456 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.814 16.725 -3.023 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.392 19.229 -5.558 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -4.090 18.036 -1.038 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.595 20.485 -3.564 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.755 20.754 -1.354 1.00 0.00 H new ATOM 1079 N THR A 68 -7.053 16.556 -8.002 1.00 0.00 N ATOM 1080 CA THR A 68 -7.442 15.649 -9.107 1.00 0.00 C ATOM 1081 C THR A 68 -8.426 16.207 -10.151 1.00 0.00 C ATOM 1082 O THR A 68 -8.881 15.456 -11.018 1.00 0.00 O ATOM 1083 CB THR A 68 -7.997 14.326 -8.558 1.00 0.00 C ATOM 1084 OG1 THR A 68 -9.244 14.509 -7.920 1.00 0.00 O ATOM 1085 CG2 THR A 68 -7.054 13.598 -7.603 1.00 0.00 C ATOM 0 H THR A 68 -7.837 17.070 -7.599 1.00 0.00 H new ATOM 0 HA THR A 68 -6.506 15.505 -9.646 1.00 0.00 H new ATOM 0 HB THR A 68 -8.115 13.696 -9.440 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.100 14.696 -6.969 1.00 0.00 H new ATOM 0 HG21 THR A 68 -7.523 12.675 -7.262 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.123 13.363 -8.119 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.842 14.235 -6.745 1.00 0.00 H new ATOM 1093 N SER A 69 -8.771 17.500 -10.119 1.00 0.00 N ATOM 1094 CA SER A 69 -9.829 18.085 -10.974 1.00 0.00 C ATOM 1095 C SER A 69 -9.391 18.478 -12.396 1.00 0.00 C ATOM 1096 O SER A 69 -10.068 19.253 -13.075 1.00 0.00 O ATOM 1097 CB SER A 69 -10.540 19.228 -10.246 1.00 0.00 C ATOM 1098 OG SER A 69 -9.682 20.332 -10.034 1.00 0.00 O ATOM 0 H SER A 69 -8.327 18.178 -9.500 1.00 0.00 H new ATOM 0 HA SER A 69 -10.540 17.277 -11.146 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.405 19.547 -10.828 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.915 18.870 -9.287 1.00 0.00 H new ATOM 0 HG SER A 69 -10.171 21.042 -9.569 1.00 0.00 H new ATOM 1104 N THR A 70 -8.271 17.927 -12.865 1.00 0.00 N ATOM 1105 CA THR A 70 -7.691 18.122 -14.202 1.00 0.00 C ATOM 1106 C THR A 70 -7.082 16.808 -14.694 1.00 0.00 C ATOM 1107 O THR A 70 -6.497 16.054 -13.914 1.00 0.00 O ATOM 1108 CB THR A 70 -6.644 19.259 -14.203 1.00 0.00 C ATOM 1109 OG1 THR A 70 -5.915 19.296 -15.416 1.00 0.00 O ATOM 1110 CG2 THR A 70 -5.616 19.149 -13.077 1.00 0.00 C ATOM 0 H THR A 70 -7.710 17.296 -12.293 1.00 0.00 H new ATOM 0 HA THR A 70 -8.485 18.421 -14.886 1.00 0.00 H new ATOM 0 HB THR A 70 -7.235 20.164 -14.064 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.263 20.027 -15.384 1.00 0.00 H new ATOM 0 HG21 THR A 70 -4.915 19.981 -13.142 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.126 19.179 -12.114 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.073 18.208 -13.171 1.00 0.00 H new ATOM 1118 N ALA A 71 -7.169 16.539 -15.999 1.00 0.00 N ATOM 1119 CA ALA A 71 -6.579 15.360 -16.633 1.00 0.00 C ATOM 1120 C ALA A 71 -5.036 15.348 -16.593 1.00 0.00 C ATOM 1121 O ALA A 71 -4.429 14.307 -16.837 1.00 0.00 O ATOM 1122 CB ALA A 71 -7.139 15.237 -18.054 1.00 0.00 C ATOM 0 H ALA A 71 -7.660 17.146 -16.655 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.863 14.478 -16.058 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -6.708 14.362 -18.540 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.223 15.131 -18.010 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.885 16.131 -18.624 1.00 0.00 H new ATOM 1128 N GLU A 72 -4.394 16.453 -16.191 1.00 0.00 N ATOM 1129 CA GLU A 72 -2.977 16.492 -15.785 1.00 0.00 C ATOM 1130 C GLU A 72 -2.682 15.553 -14.590 1.00 0.00 C ATOM 1131 O GLU A 72 -1.553 15.078 -14.435 1.00 0.00 O ATOM 1132 CB GLU A 72 -2.620 17.958 -15.466 1.00 0.00 C ATOM 1133 CG GLU A 72 -1.129 18.268 -15.241 1.00 0.00 C ATOM 1134 CD GLU A 72 -0.249 18.234 -16.502 1.00 0.00 C ATOM 1135 OE1 GLU A 72 -0.697 17.828 -17.602 1.00 0.00 O ATOM 1136 OE2 GLU A 72 0.951 18.588 -16.394 1.00 0.00 O ATOM 0 H GLU A 72 -4.851 17.363 -16.137 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.353 16.124 -16.599 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.979 18.582 -16.284 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.169 18.256 -14.573 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.045 19.255 -14.787 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.731 17.552 -14.522 1.00 0.00 H new ATOM 1144 N HIS A 73 -3.708 15.234 -13.791 1.00 0.00 N ATOM 1145 CA HIS A 73 -3.656 14.421 -12.574 1.00 0.00 C ATOM 1146 C HIS A 73 -4.722 13.296 -12.561 1.00 0.00 C ATOM 1147 O HIS A 73 -5.089 12.797 -11.497 1.00 0.00 O ATOM 1148 CB HIS A 73 -3.755 15.355 -11.351 1.00 0.00 C ATOM 1149 CG HIS A 73 -2.693 16.430 -11.278 1.00 0.00 C ATOM 1150 ND1 HIS A 73 -1.324 16.263 -11.308 1.00 0.00 N ATOM 1151 CD2 HIS A 73 -2.925 17.773 -11.153 1.00 0.00 C ATOM 1152 CE1 HIS A 73 -0.753 17.478 -11.231 1.00 0.00 C ATOM 1153 NE2 HIS A 73 -1.691 18.436 -11.118 1.00 0.00 N ATOM 0 H HIS A 73 -4.654 15.558 -13.991 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.702 13.894 -12.538 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -4.734 15.833 -11.357 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -3.701 14.750 -10.446 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.896 18.243 -11.092 1.00 0.00 H new ATOM 0 HE1 HIS A 73 0.311 17.660 -11.256 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -1.536 19.440 -11.026 1.00 0.00 H new ATOM 1162 N VAL A 74 -5.214 12.836 -13.722 1.00 0.00 N ATOM 1163 CA VAL A 74 -6.125 11.667 -13.795 1.00 0.00 C ATOM 1164 C VAL A 74 -5.458 10.385 -13.277 1.00 0.00 C ATOM 1165 O VAL A 74 -6.091 9.581 -12.591 1.00 0.00 O ATOM 1166 CB VAL A 74 -6.689 11.469 -15.220 1.00 0.00 C ATOM 1167 CG1 VAL A 74 -5.623 11.112 -16.266 1.00 0.00 C ATOM 1168 CG2 VAL A 74 -7.775 10.390 -15.257 1.00 0.00 C ATOM 0 H VAL A 74 -5.000 13.252 -14.628 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.966 11.883 -13.136 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.109 12.440 -15.480 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.096 10.989 -17.240 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.884 11.911 -16.320 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.131 10.182 -15.982 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.145 10.281 -16.276 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -7.357 9.441 -14.920 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.597 10.678 -14.601 1.00 0.00 H new ATOM 1178 N ALA A 75 -4.150 10.234 -13.501 1.00 0.00 N ATOM 1179 CA ALA A 75 -3.381 9.104 -12.984 1.00 0.00 C ATOM 1180 C ALA A 75 -3.262 9.159 -11.448 1.00 0.00 C ATOM 1181 O ALA A 75 -3.374 8.142 -10.767 1.00 0.00 O ATOM 1182 CB ALA A 75 -2.021 9.110 -13.689 1.00 0.00 C ATOM 0 H ALA A 75 -3.596 10.894 -14.047 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.889 8.163 -13.195 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.419 8.277 -13.326 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.168 9.010 -14.764 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.507 10.048 -13.479 1.00 0.00 H new ATOM 1188 N ILE A 76 -3.141 10.365 -10.880 1.00 0.00 N ATOM 1189 CA ILE A 76 -3.211 10.613 -9.432 1.00 0.00 C ATOM 1190 C ILE A 76 -4.609 10.290 -8.880 1.00 0.00 C ATOM 1191 O ILE A 76 -4.719 9.727 -7.791 1.00 0.00 O ATOM 1192 CB ILE A 76 -2.806 12.075 -9.139 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -1.355 12.404 -9.566 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -3.047 12.491 -7.684 1.00 0.00 C ATOM 1195 CD1 ILE A 76 -0.244 11.641 -8.827 1.00 0.00 C ATOM 0 H ILE A 76 -2.989 11.214 -11.424 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.511 9.950 -8.923 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.473 12.670 -9.762 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.257 12.204 -10.633 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.190 13.472 -9.426 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.741 13.528 -7.547 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.106 12.391 -7.448 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.465 11.851 -7.021 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.728 11.953 -9.209 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.301 11.858 -7.760 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.370 10.570 -8.987 1.00 0.00 H new ATOM 1207 N ARG A 77 -5.679 10.578 -9.635 1.00 0.00 N ATOM 1208 CA ARG A 77 -7.066 10.270 -9.240 1.00 0.00 C ATOM 1209 C ARG A 77 -7.279 8.766 -9.013 1.00 0.00 C ATOM 1210 O ARG A 77 -7.875 8.398 -7.999 1.00 0.00 O ATOM 1211 CB ARG A 77 -8.033 10.896 -10.269 1.00 0.00 C ATOM 1212 CG ARG A 77 -9.452 11.094 -9.712 1.00 0.00 C ATOM 1213 CD ARG A 77 -10.291 12.092 -10.531 1.00 0.00 C ATOM 1214 NE ARG A 77 -10.490 11.674 -11.930 1.00 0.00 N ATOM 1215 CZ ARG A 77 -10.498 12.456 -12.999 1.00 0.00 C ATOM 1216 NH1 ARG A 77 -10.180 13.719 -12.980 1.00 0.00 N ATOM 1217 NH2 ARG A 77 -10.820 12.000 -14.171 1.00 0.00 N ATOM 0 H ARG A 77 -5.608 11.035 -10.544 1.00 0.00 H new ATOM 0 HA ARG A 77 -7.283 10.720 -8.271 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -7.638 11.859 -10.593 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -8.080 10.258 -11.151 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -9.964 10.132 -9.689 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -9.385 11.444 -8.682 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -11.263 12.216 -10.054 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -9.802 13.066 -10.516 1.00 0.00 H new ATOM 0 HE ARG A 77 -10.637 10.678 -12.092 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -9.904 14.162 -12.104 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -10.207 14.265 -13.841 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -11.075 11.019 -14.284 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -10.818 12.623 -14.979 1.00 0.00 H new ATOM 1231 N SER A 78 -6.690 7.917 -9.863 1.00 0.00 N ATOM 1232 CA SER A 78 -6.591 6.460 -9.646 1.00 0.00 C ATOM 1233 C SER A 78 -5.620 6.107 -8.501 1.00 0.00 C ATOM 1234 O SER A 78 -5.975 5.359 -7.584 1.00 0.00 O ATOM 1235 CB SER A 78 -6.171 5.772 -10.955 1.00 0.00 C ATOM 1236 OG SER A 78 -6.279 4.362 -10.861 1.00 0.00 O ATOM 0 H SER A 78 -6.260 8.223 -10.736 1.00 0.00 H new ATOM 0 HA SER A 78 -7.573 6.095 -9.345 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.796 6.132 -11.773 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.143 6.044 -11.196 1.00 0.00 H new ATOM 0 HG SER A 78 -6.006 3.956 -11.710 1.00 0.00 H new ATOM 1242 N LYS A 79 -4.421 6.715 -8.474 1.00 0.00 N ATOM 1243 CA LYS A 79 -3.349 6.428 -7.499 1.00 0.00 C ATOM 1244 C LYS A 79 -3.600 6.929 -6.063 1.00 0.00 C ATOM 1245 O LYS A 79 -2.827 6.581 -5.175 1.00 0.00 O ATOM 1246 CB LYS A 79 -1.986 6.845 -8.095 1.00 0.00 C ATOM 1247 CG LYS A 79 -0.768 6.382 -7.268 1.00 0.00 C ATOM 1248 CD LYS A 79 0.528 6.254 -8.080 1.00 0.00 C ATOM 1249 CE LYS A 79 0.968 7.550 -8.763 1.00 0.00 C ATOM 1250 NZ LYS A 79 2.126 7.273 -9.636 1.00 0.00 N ATOM 0 H LYS A 79 -4.162 7.438 -9.145 1.00 0.00 H new ATOM 0 HA LYS A 79 -3.340 5.349 -7.343 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.903 6.439 -9.103 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.958 7.931 -8.186 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.606 7.088 -6.454 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.996 5.418 -6.813 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.326 5.915 -7.419 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.394 5.483 -8.839 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.147 7.963 -9.349 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.233 8.297 -8.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.428 8.152 -10.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.910 6.898 -9.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.858 6.574 -10.357 1.00 0.00 H new ATOM 1264 N LEU A 80 -4.695 7.646 -5.785 1.00 0.00 N ATOM 1265 CA LEU A 80 -5.249 7.762 -4.424 1.00 0.00 C ATOM 1266 C LEU A 80 -6.474 6.864 -4.176 1.00 0.00 C ATOM 1267 O LEU A 80 -6.604 6.351 -3.065 1.00 0.00 O ATOM 1268 CB LEU A 80 -5.515 9.229 -4.016 1.00 0.00 C ATOM 1269 CG LEU A 80 -4.309 10.084 -3.561 1.00 0.00 C ATOM 1270 CD1 LEU A 80 -3.251 9.323 -2.759 1.00 0.00 C ATOM 1271 CD2 LEU A 80 -3.616 10.754 -4.743 1.00 0.00 C ATOM 0 H LEU A 80 -5.222 8.161 -6.490 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.467 7.383 -3.766 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.981 9.732 -4.863 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.245 9.224 -3.207 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.754 10.826 -2.898 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.445 10.003 -2.484 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.704 8.913 -1.856 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.850 8.511 -3.365 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.774 11.346 -4.384 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.255 9.991 -5.433 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.323 11.404 -5.258 1.00 0.00 H new ATOM 1283 N GLN A 81 -7.334 6.603 -5.168 1.00 0.00 N ATOM 1284 CA GLN A 81 -8.510 5.736 -4.976 1.00 0.00 C ATOM 1285 C GLN A 81 -8.131 4.268 -4.730 1.00 0.00 C ATOM 1286 O GLN A 81 -8.559 3.718 -3.713 1.00 0.00 O ATOM 1287 CB GLN A 81 -9.523 5.912 -6.124 1.00 0.00 C ATOM 1288 CG GLN A 81 -10.593 6.939 -5.716 1.00 0.00 C ATOM 1289 CD GLN A 81 -11.360 7.554 -6.882 1.00 0.00 C ATOM 1290 OE1 GLN A 81 -12.497 7.199 -7.176 1.00 0.00 O ATOM 1291 NE2 GLN A 81 -10.763 8.502 -7.567 1.00 0.00 N ATOM 0 H GLN A 81 -7.240 6.978 -6.112 1.00 0.00 H new ATOM 0 HA GLN A 81 -9.006 6.060 -4.061 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.011 6.245 -7.027 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -9.992 4.956 -6.358 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -11.304 6.457 -5.045 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -10.114 7.739 -5.151 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -9.818 8.793 -7.318 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -11.245 8.947 -8.348 1.00 0.00 H new ATOM 1300 N TYR A 82 -7.268 3.655 -5.551 1.00 0.00 N ATOM 1301 CA TYR A 82 -6.775 2.291 -5.282 1.00 0.00 C ATOM 1302 C TYR A 82 -5.895 2.256 -4.017 1.00 0.00 C ATOM 1303 O TYR A 82 -5.933 1.298 -3.250 1.00 0.00 O ATOM 1304 CB TYR A 82 -6.046 1.709 -6.517 1.00 0.00 C ATOM 1305 CG TYR A 82 -4.574 1.398 -6.288 1.00 0.00 C ATOM 1306 CD1 TYR A 82 -4.193 0.184 -5.680 1.00 0.00 C ATOM 1307 CD2 TYR A 82 -3.603 2.378 -6.564 1.00 0.00 C ATOM 1308 CE1 TYR A 82 -2.851 -0.034 -5.313 1.00 0.00 C ATOM 1309 CE2 TYR A 82 -2.262 2.169 -6.191 1.00 0.00 C ATOM 1310 CZ TYR A 82 -1.885 0.967 -5.551 1.00 0.00 C ATOM 1311 OH TYR A 82 -0.599 0.787 -5.141 1.00 0.00 O ATOM 0 H TYR A 82 -6.897 4.076 -6.403 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.636 1.651 -5.088 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.554 0.796 -6.827 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.132 2.417 -7.341 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.933 -0.581 -5.495 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.887 3.293 -7.063 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -2.561 -0.966 -4.850 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -1.521 2.928 -6.394 1.00 0.00 H new ATOM 0 HH TYR A 82 -0.383 -0.169 -5.152 1.00 0.00 H new ATOM 1321 N ARG A 83 -5.130 3.323 -3.747 1.00 0.00 N ATOM 1322 CA ARG A 83 -4.249 3.422 -2.571 1.00 0.00 C ATOM 1323 C ARG A 83 -5.041 3.433 -1.254 1.00 0.00 C ATOM 1324 O ARG A 83 -4.592 2.850 -0.271 1.00 0.00 O ATOM 1325 CB ARG A 83 -3.332 4.631 -2.770 1.00 0.00 C ATOM 1326 CG ARG A 83 -2.142 4.654 -1.802 1.00 0.00 C ATOM 1327 CD ARG A 83 -0.803 4.980 -2.487 1.00 0.00 C ATOM 1328 NE ARG A 83 -0.376 4.016 -3.529 1.00 0.00 N ATOM 1329 CZ ARG A 83 0.651 4.163 -4.357 1.00 0.00 C ATOM 1330 NH1 ARG A 83 1.436 5.199 -4.362 1.00 0.00 N ATOM 1331 NH2 ARG A 83 0.955 3.257 -5.236 1.00 0.00 N ATOM 0 H ARG A 83 -5.104 4.150 -4.343 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.623 2.534 -2.484 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.959 4.631 -3.794 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.913 5.544 -2.643 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -2.332 5.392 -1.022 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.064 3.684 -1.311 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.875 5.970 -2.938 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.026 5.033 -1.724 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.923 3.159 -3.618 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.279 5.961 -3.702 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.209 5.250 -5.026 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.399 2.405 -5.303 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.750 3.398 -5.859 1.00 0.00 H new ATOM 1345 N LEU A 84 -6.257 3.985 -1.259 1.00 0.00 N ATOM 1346 CA LEU A 84 -7.216 3.882 -0.154 1.00 0.00 C ATOM 1347 C LEU A 84 -7.820 2.471 -0.018 1.00 0.00 C ATOM 1348 O LEU A 84 -7.986 1.979 1.101 1.00 0.00 O ATOM 1349 CB LEU A 84 -8.297 4.956 -0.368 1.00 0.00 C ATOM 1350 CG LEU A 84 -9.356 5.069 0.747 1.00 0.00 C ATOM 1351 CD1 LEU A 84 -8.743 5.273 2.130 1.00 0.00 C ATOM 1352 CD2 LEU A 84 -10.250 6.275 0.476 1.00 0.00 C ATOM 0 H LEU A 84 -6.611 4.527 -2.047 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.699 4.055 0.790 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.806 5.923 -0.477 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.807 4.750 -1.309 1.00 0.00 H new ATOM 0 HG LEU A 84 -9.910 4.130 0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.537 5.345 2.873 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.097 4.428 2.370 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.156 6.191 2.136 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.999 6.357 1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.644 7.181 0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -10.747 6.151 -0.486 1.00 0.00 H new ATOM 1364 N GLU A 85 -8.100 1.791 -1.134 1.00 0.00 N ATOM 1365 CA GLU A 85 -8.490 0.364 -1.129 1.00 0.00 C ATOM 1366 C GLU A 85 -7.367 -0.525 -0.559 1.00 0.00 C ATOM 1367 O GLU A 85 -7.636 -1.474 0.177 1.00 0.00 O ATOM 1368 CB GLU A 85 -8.866 -0.137 -2.544 1.00 0.00 C ATOM 1369 CG GLU A 85 -9.988 0.621 -3.266 1.00 0.00 C ATOM 1370 CD GLU A 85 -11.366 0.434 -2.635 1.00 0.00 C ATOM 1371 OE1 GLU A 85 -11.640 1.064 -1.585 1.00 0.00 O ATOM 1372 OE2 GLU A 85 -12.205 -0.309 -3.199 1.00 0.00 O ATOM 0 H GLU A 85 -8.065 2.205 -2.066 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.368 0.289 -0.487 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -7.973 -0.098 -3.168 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -9.157 -1.185 -2.468 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.746 1.684 -3.278 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.027 0.291 -4.304 1.00 0.00 H new ATOM 1380 N LEU A 86 -6.097 -0.210 -0.837 1.00 0.00 N ATOM 1381 CA LEU A 86 -4.949 -0.971 -0.330 1.00 0.00 C ATOM 1382 C LEU A 86 -4.559 -0.595 1.109 1.00 0.00 C ATOM 1383 O LEU A 86 -4.077 -1.457 1.836 1.00 0.00 O ATOM 1384 CB LEU A 86 -3.772 -0.889 -1.323 1.00 0.00 C ATOM 1385 CG LEU A 86 -3.087 -2.237 -1.642 1.00 0.00 C ATOM 1386 CD1 LEU A 86 -2.512 -2.956 -0.423 1.00 0.00 C ATOM 1387 CD2 LEU A 86 -4.014 -3.199 -2.389 1.00 0.00 C ATOM 0 H LEU A 86 -5.835 0.583 -1.422 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.250 -2.016 -0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.133 -0.453 -2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.024 -0.206 -0.920 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.252 -1.955 -2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.050 -3.892 -0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.763 -2.323 0.053 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.312 -3.166 0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.486 -4.131 -2.590 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.893 -3.404 -1.779 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.324 -2.748 -3.331 1.00 0.00 H new ATOM 1399 N ALA A 87 -4.852 0.616 1.597 1.00 0.00 N ATOM 1400 CA ALA A 87 -4.741 0.909 3.033 1.00 0.00 C ATOM 1401 C ALA A 87 -5.715 0.047 3.860 1.00 0.00 C ATOM 1402 O ALA A 87 -5.322 -0.550 4.865 1.00 0.00 O ATOM 1403 CB ALA A 87 -4.969 2.405 3.286 1.00 0.00 C ATOM 0 H ALA A 87 -5.165 1.402 1.027 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.732 0.654 3.358 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.884 2.611 4.353 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.221 2.984 2.745 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.964 2.685 2.940 1.00 0.00 H new ATOM 1409 N GLN A 88 -6.956 -0.103 3.381 1.00 0.00 N ATOM 1410 CA GLN A 88 -7.939 -1.044 3.937 1.00 0.00 C ATOM 1411 C GLN A 88 -7.499 -2.512 3.771 1.00 0.00 C ATOM 1412 O GLN A 88 -7.841 -3.360 4.599 1.00 0.00 O ATOM 1413 CB GLN A 88 -9.299 -0.795 3.268 1.00 0.00 C ATOM 1414 CG GLN A 88 -9.920 0.526 3.744 1.00 0.00 C ATOM 1415 CD GLN A 88 -11.066 0.953 2.843 1.00 0.00 C ATOM 1416 OE1 GLN A 88 -12.227 0.634 3.060 1.00 0.00 O ATOM 1417 NE2 GLN A 88 -10.778 1.625 1.755 1.00 0.00 N ATOM 0 H GLN A 88 -7.311 0.431 2.588 1.00 0.00 H new ATOM 0 HA GLN A 88 -8.019 -0.869 5.010 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.176 -0.772 2.185 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.975 -1.620 3.494 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.281 0.413 4.766 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -9.157 1.304 3.759 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.814 1.896 1.563 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -11.518 1.876 1.100 1.00 0.00 H new ATOM 1426 N GLY A 89 -6.690 -2.795 2.747 1.00 0.00 N ATOM 1427 CA GLY A 89 -6.035 -4.083 2.506 1.00 0.00 C ATOM 1428 C GLY A 89 -4.936 -4.410 3.518 1.00 0.00 C ATOM 1429 O GLY A 89 -4.904 -5.511 4.072 1.00 0.00 O ATOM 0 H GLY A 89 -6.464 -2.103 2.033 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.786 -4.873 2.530 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.606 -4.081 1.504 1.00 0.00 H new ATOM 1433 N ALA A 90 -4.068 -3.443 3.807 1.00 0.00 N ATOM 1434 CA ALA A 90 -2.931 -3.593 4.707 1.00 0.00 C ATOM 1435 C ALA A 90 -3.337 -3.626 6.194 1.00 0.00 C ATOM 1436 O ALA A 90 -2.660 -4.284 6.981 1.00 0.00 O ATOM 1437 CB ALA A 90 -1.937 -2.467 4.400 1.00 0.00 C ATOM 0 H ALA A 90 -4.140 -2.507 3.409 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.462 -4.562 4.533 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -1.074 -2.554 5.060 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.610 -2.543 3.363 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.419 -1.503 4.559 1.00 0.00 H new ATOM 1443 N VAL A 91 -4.443 -2.973 6.585 1.00 0.00 N ATOM 1444 CA VAL A 91 -4.918 -2.971 7.991 1.00 0.00 C ATOM 1445 C VAL A 91 -5.696 -4.241 8.384 1.00 0.00 C ATOM 1446 O VAL A 91 -5.747 -4.595 9.565 1.00 0.00 O ATOM 1447 CB VAL A 91 -5.704 -1.677 8.296 1.00 0.00 C ATOM 1448 CG1 VAL A 91 -7.102 -1.664 7.670 1.00 0.00 C ATOM 1449 CG2 VAL A 91 -5.841 -1.411 9.799 1.00 0.00 C ATOM 0 H VAL A 91 -5.032 -2.435 5.949 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.031 -2.986 8.624 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.108 -0.885 7.843 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.604 -0.729 7.920 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.016 -1.751 6.587 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.682 -2.502 8.057 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.402 -0.490 9.956 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.368 -2.241 10.269 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.850 -1.313 10.243 1.00 0.00 H new