USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 585 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 7 THR OG1 : rot 85:sc= 1.26 USER MOD Set 1.2: A 42 HIS : no HE2:sc= 0.95 K(o=2.2,f=-2.9!) USER MOD Set 1.3: A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl -108:sc= -0.825 (180deg=-3.25!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.0548 X(o=-0.055,f=0) USER MOD Single : A 13 MET CE :methyl -163:sc= 0 (180deg=-0.467) USER MOD Single : A 16 GLN :FLIP amide:sc= -0.167 F(o=-0.94,f=-0.17) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 19 ASN :FLIP amide:sc= -0.258 F(o=-3!,f=-0.26) USER MOD Single : A 20 THR OG1 : rot -65:sc= 0.261 USER MOD Single : A 28 HIS :FLIP no HD1:sc= -0.0923 F(o=-0.88,f=-0.092) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 136:sc= -0.0458 (180deg=-0.422) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 179:sc= -1.25 (180deg=-1.25) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0.612 K(o=0.61,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 1.05 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= -0.386 X(o=-0.39,f=-0.28) USER MOD Single : A 61 THR OG1 : rot 141:sc= 1.26 USER MOD Single : A 62 THR OG1 : rot 80:sc= 0.589 USER MOD Single : A 63 ASN : amide:sc= -0.906 K(o=-0.91,f=-5.6!) USER MOD Single : A 67 SER OG : rot 75:sc= 0.113 USER MOD Single : A 70 MET CE :methyl 147:sc= -2.03 (180deg=-4.32!) USER MOD Single : A 72 ASN : amide:sc=-0.00484 K(o=-0.0048,f=-0.97) USER MOD Single : A 75 HIS : no HE2:sc= 0.0507 K(o=0.051,f=-2.8!) USER MOD Single : A 76 HIS : no HD1:sc= -0.0193 X(o=-0.019,f=-0.019) USER MOD Single : A 77 HIS : no HD1:sc= -0.927 X(o=-0.93,f=-1.1) USER MOD Single : A 78 HIS : no HD1:sc= -0.431 X(o=-0.43,f=-0.058) USER MOD ----------------------------------------------------------------- ATOM 49 N PRO A 5 11.597 -6.421 -2.533 1.00 33.31 N ATOM 50 CA PRO A 5 11.407 -5.930 -3.917 1.00 70.02 C ATOM 51 C PRO A 5 10.336 -4.822 -4.046 1.00 41.14 C ATOM 52 O PRO A 5 9.926 -4.477 -5.157 1.00 52.43 O ATOM 53 CB PRO A 5 10.973 -7.192 -4.676 1.00 23.21 C ATOM 54 CG PRO A 5 10.326 -8.046 -3.638 1.00 74.22 C ATOM 55 CD PRO A 5 11.107 -7.805 -2.372 1.00 71.44 C ATOM 0 HA PRO A 5 12.314 -5.462 -4.299 1.00 70.02 H new ATOM 0 HB2 PRO A 5 10.279 -6.952 -5.482 1.00 23.21 H new ATOM 0 HB3 PRO A 5 11.826 -7.696 -5.130 1.00 23.21 H new ATOM 0 HG2 PRO A 5 9.277 -7.779 -3.509 1.00 74.22 H new ATOM 0 HG3 PRO A 5 10.354 -9.098 -3.922 1.00 74.22 H new ATOM 0 HD2 PRO A 5 10.480 -7.909 -1.487 1.00 71.44 H new ATOM 0 HD3 PRO A 5 11.929 -8.513 -2.266 1.00 71.44 H new ATOM 63 N MET A 6 9.880 -4.280 -2.908 1.00 13.32 N ATOM 64 CA MET A 6 8.932 -3.151 -2.895 1.00 15.42 C ATOM 65 C MET A 6 7.637 -3.455 -3.675 1.00 44.43 C ATOM 66 O MET A 6 7.145 -2.615 -4.434 1.00 73.42 O ATOM 67 CB MET A 6 9.616 -1.894 -3.460 1.00 12.14 C ATOM 68 CG MET A 6 10.785 -1.371 -2.623 1.00 50.12 C ATOM 69 SD MET A 6 10.275 -0.634 -1.049 1.00 63.31 S ATOM 70 CE MET A 6 10.138 -2.063 0.029 1.00 4.23 C ATOM 0 H MET A 6 10.152 -4.605 -1.980 1.00 13.32 H new ATOM 0 HA MET A 6 8.641 -2.980 -1.859 1.00 15.42 H new ATOM 0 HB2 MET A 6 9.976 -2.114 -4.465 1.00 12.14 H new ATOM 0 HB3 MET A 6 8.872 -1.103 -3.554 1.00 12.14 H new ATOM 0 HG2 MET A 6 11.475 -2.191 -2.424 1.00 50.12 H new ATOM 0 HG3 MET A 6 11.332 -0.628 -3.203 1.00 50.12 H new ATOM 0 HE1 MET A 6 9.087 -2.266 0.232 1.00 4.23 H new ATOM 0 HE2 MET A 6 10.588 -2.929 -0.456 1.00 4.23 H new ATOM 0 HE3 MET A 6 10.656 -1.862 0.967 1.00 4.23 H new ATOM 80 N THR A 7 7.069 -4.645 -3.457 1.00 31.11 N ATOM 81 CA THR A 7 5.832 -5.058 -4.147 1.00 52.32 C ATOM 82 C THR A 7 4.712 -4.016 -3.986 1.00 74.34 C ATOM 83 O THR A 7 3.947 -3.762 -4.916 1.00 33.52 O ATOM 84 CB THR A 7 5.311 -6.421 -3.627 1.00 45.20 C ATOM 85 OG1 THR A 7 4.911 -6.298 -2.253 1.00 31.43 O ATOM 86 CG2 THR A 7 6.378 -7.506 -3.757 1.00 25.31 C ATOM 0 H THR A 7 7.441 -5.341 -2.811 1.00 31.11 H new ATOM 0 HA THR A 7 6.094 -5.148 -5.201 1.00 52.32 H new ATOM 0 HB THR A 7 4.453 -6.710 -4.234 1.00 45.20 H new ATOM 0 HG1 THR A 7 3.991 -5.963 -2.209 1.00 31.43 H new ATOM 0 HG21 THR A 7 5.983 -8.451 -3.384 1.00 25.31 H new ATOM 0 HG22 THR A 7 6.658 -7.618 -4.805 1.00 25.31 H new ATOM 0 HG23 THR A 7 7.256 -7.225 -3.175 1.00 25.31 H new ATOM 94 N PHE A 8 4.618 -3.424 -2.795 1.00 20.44 N ATOM 95 CA PHE A 8 3.649 -2.349 -2.530 1.00 74.34 C ATOM 96 C PHE A 8 3.936 -1.098 -3.384 1.00 2.03 C ATOM 97 O PHE A 8 3.024 -0.504 -3.967 1.00 10.33 O ATOM 98 CB PHE A 8 3.672 -1.984 -1.037 1.00 1.42 C ATOM 99 CG PHE A 8 2.842 -0.771 -0.682 1.00 11.04 C ATOM 100 CD1 PHE A 8 1.454 -0.828 -0.707 1.00 52.52 C ATOM 101 CD2 PHE A 8 3.451 0.426 -0.323 1.00 72.33 C ATOM 102 CE1 PHE A 8 0.696 0.282 -0.383 1.00 62.03 C ATOM 103 CE2 PHE A 8 2.695 1.537 0.002 1.00 51.30 C ATOM 104 CZ PHE A 8 1.317 1.465 -0.028 1.00 71.54 C ATOM 0 H PHE A 8 5.200 -3.668 -1.994 1.00 20.44 H new ATOM 0 HA PHE A 8 2.659 -2.715 -2.803 1.00 74.34 H new ATOM 0 HB2 PHE A 8 3.314 -2.837 -0.461 1.00 1.42 H new ATOM 0 HB3 PHE A 8 4.704 -1.806 -0.734 1.00 1.42 H new ATOM 0 HD1 PHE A 8 0.962 -1.749 -0.982 1.00 52.52 H new ATOM 0 HD2 PHE A 8 4.529 0.489 -0.298 1.00 72.33 H new ATOM 0 HE1 PHE A 8 -0.382 0.225 -0.407 1.00 62.03 H new ATOM 0 HE2 PHE A 8 3.182 2.460 0.279 1.00 51.30 H new ATOM 0 HZ PHE A 8 0.725 2.332 0.226 1.00 71.54 H new ATOM 114 N TYR A 9 5.208 -0.710 -3.455 1.00 60.22 N ATOM 115 CA TYR A 9 5.616 0.501 -4.178 1.00 64.41 C ATOM 116 C TYR A 9 5.193 0.457 -5.657 1.00 44.01 C ATOM 117 O TYR A 9 4.790 1.475 -6.218 1.00 5.21 O ATOM 118 CB TYR A 9 7.135 0.694 -4.068 1.00 1.11 C ATOM 119 CG TYR A 9 7.648 1.940 -4.771 1.00 42.02 C ATOM 120 CD1 TYR A 9 7.434 3.203 -4.229 1.00 72.31 C ATOM 121 CD2 TYR A 9 8.349 1.851 -5.970 1.00 24.13 C ATOM 122 CE1 TYR A 9 7.896 4.341 -4.865 1.00 2.23 C ATOM 123 CE2 TYR A 9 8.812 2.983 -6.610 1.00 20.14 C ATOM 124 CZ TYR A 9 8.587 4.226 -6.053 1.00 10.33 C ATOM 125 OH TYR A 9 9.049 5.355 -6.688 1.00 74.20 O ATOM 0 H TYR A 9 5.979 -1.217 -3.020 1.00 60.22 H new ATOM 0 HA TYR A 9 5.108 1.348 -3.716 1.00 64.41 H new ATOM 0 HB2 TYR A 9 7.410 0.743 -3.014 1.00 1.11 H new ATOM 0 HB3 TYR A 9 7.634 -0.180 -4.487 1.00 1.11 H new ATOM 0 HD1 TYR A 9 6.898 3.297 -3.296 1.00 72.31 H new ATOM 0 HD2 TYR A 9 8.534 0.881 -6.407 1.00 24.13 H new ATOM 0 HE1 TYR A 9 7.717 5.315 -4.434 1.00 2.23 H new ATOM 0 HE2 TYR A 9 9.348 2.897 -7.543 1.00 20.14 H new ATOM 0 HH TYR A 9 9.515 5.100 -7.511 1.00 74.20 H new ATOM 135 N ASN A 10 5.271 -0.726 -6.270 1.00 70.40 N ATOM 136 CA ASN A 10 4.895 -0.908 -7.683 1.00 1.12 C ATOM 137 C ASN A 10 3.492 -0.346 -7.989 1.00 62.53 C ATOM 138 O ASN A 10 3.227 0.116 -9.100 1.00 4.15 O ATOM 139 CB ASN A 10 4.957 -2.396 -8.056 1.00 30.41 C ATOM 140 CG ASN A 10 4.483 -2.668 -9.479 1.00 72.23 C ATOM 141 OD1 ASN A 10 5.253 -2.600 -10.429 1.00 23.10 O ATOM 142 ND2 ASN A 10 3.213 -2.990 -9.635 1.00 42.51 N ATOM 0 H ASN A 10 5.592 -1.579 -5.812 1.00 70.40 H new ATOM 0 HA ASN A 10 5.610 -0.348 -8.285 1.00 1.12 H new ATOM 0 HB2 ASN A 10 5.981 -2.751 -7.945 1.00 30.41 H new ATOM 0 HB3 ASN A 10 4.344 -2.967 -7.358 1.00 30.41 H new ATOM 0 HD21 ASN A 10 2.848 -3.190 -10.566 1.00 42.51 H new ATOM 0 HD22 ASN A 10 2.596 -3.039 -8.824 1.00 42.51 H new ATOM 149 N PHE A 11 2.598 -0.389 -7.007 1.00 13.33 N ATOM 150 CA PHE A 11 1.231 0.111 -7.190 1.00 20.04 C ATOM 151 C PHE A 11 1.127 1.612 -6.862 1.00 61.20 C ATOM 152 O PHE A 11 0.677 2.410 -7.689 1.00 51.01 O ATOM 153 CB PHE A 11 0.260 -0.694 -6.312 1.00 3.11 C ATOM 154 CG PHE A 11 -1.192 -0.342 -6.527 1.00 24.32 C ATOM 155 CD1 PHE A 11 -1.878 -0.822 -7.637 1.00 0.02 C ATOM 156 CD2 PHE A 11 -1.873 0.463 -5.623 1.00 54.10 C ATOM 157 CE1 PHE A 11 -3.207 -0.505 -7.839 1.00 34.34 C ATOM 158 CE2 PHE A 11 -3.203 0.781 -5.822 1.00 74.14 C ATOM 159 CZ PHE A 11 -3.871 0.299 -6.931 1.00 74.30 C ATOM 0 H PHE A 11 2.790 -0.763 -6.077 1.00 13.33 H new ATOM 0 HA PHE A 11 0.963 -0.016 -8.239 1.00 20.04 H new ATOM 0 HB2 PHE A 11 0.400 -1.756 -6.512 1.00 3.11 H new ATOM 0 HB3 PHE A 11 0.512 -0.531 -5.264 1.00 3.11 H new ATOM 0 HD1 PHE A 11 -1.365 -1.451 -8.350 1.00 0.02 H new ATOM 0 HD2 PHE A 11 -1.357 0.845 -4.754 1.00 54.10 H new ATOM 0 HE1 PHE A 11 -3.727 -0.885 -8.706 1.00 34.34 H new ATOM 0 HE2 PHE A 11 -3.721 1.407 -5.110 1.00 74.14 H new ATOM 0 HZ PHE A 11 -4.910 0.550 -7.088 1.00 74.30 H new ATOM 169 N ILE A 12 1.566 1.992 -5.661 1.00 53.22 N ATOM 170 CA ILE A 12 1.409 3.372 -5.169 1.00 63.15 C ATOM 171 C ILE A 12 2.277 4.388 -5.952 1.00 52.40 C ATOM 172 O ILE A 12 1.978 5.586 -5.972 1.00 53.22 O ATOM 173 CB ILE A 12 1.745 3.457 -3.655 1.00 31.43 C ATOM 174 CG1 ILE A 12 1.374 4.836 -3.079 1.00 11.11 C ATOM 175 CG2 ILE A 12 3.222 3.155 -3.412 1.00 15.41 C ATOM 176 CD1 ILE A 12 -0.108 5.153 -3.147 1.00 72.04 C ATOM 0 H ILE A 12 2.035 1.366 -5.006 1.00 53.22 H new ATOM 0 HA ILE A 12 0.364 3.639 -5.329 1.00 63.15 H new ATOM 0 HB ILE A 12 1.149 2.705 -3.139 1.00 31.43 H new ATOM 0 HG12 ILE A 12 1.698 4.884 -2.039 1.00 11.11 H new ATOM 0 HG13 ILE A 12 1.925 5.605 -3.620 1.00 11.11 H new ATOM 0 HG21 ILE A 12 3.436 3.220 -2.345 1.00 15.41 H new ATOM 0 HG22 ILE A 12 3.451 2.150 -3.768 1.00 15.41 H new ATOM 0 HG23 ILE A 12 3.835 3.879 -3.950 1.00 15.41 H new ATOM 0 HD11 ILE A 12 -0.289 6.140 -2.722 1.00 72.04 H new ATOM 0 HD12 ILE A 12 -0.436 5.140 -4.187 1.00 72.04 H new ATOM 0 HD13 ILE A 12 -0.666 4.407 -2.581 1.00 72.04 H new ATOM 188 N MET A 13 3.340 3.910 -6.612 1.00 5.40 N ATOM 189 CA MET A 13 4.257 4.797 -7.354 1.00 23.03 C ATOM 190 C MET A 13 3.534 5.594 -8.454 1.00 2.54 C ATOM 191 O MET A 13 4.018 6.638 -8.900 1.00 34.10 O ATOM 192 CB MET A 13 5.424 3.995 -7.953 1.00 24.24 C ATOM 193 CG MET A 13 5.017 2.942 -8.979 1.00 73.11 C ATOM 194 SD MET A 13 4.385 3.657 -10.512 1.00 31.51 S ATOM 195 CE MET A 13 4.060 2.177 -11.466 1.00 65.42 C ATOM 0 H MET A 13 3.589 2.921 -6.650 1.00 5.40 H new ATOM 0 HA MET A 13 4.652 5.517 -6.638 1.00 23.03 H new ATOM 0 HB2 MET A 13 6.120 4.690 -8.423 1.00 24.24 H new ATOM 0 HB3 MET A 13 5.962 3.503 -7.143 1.00 24.24 H new ATOM 0 HG2 MET A 13 5.877 2.312 -9.206 1.00 73.11 H new ATOM 0 HG3 MET A 13 4.254 2.295 -8.545 1.00 73.11 H new ATOM 0 HE1 MET A 13 3.957 2.438 -12.519 1.00 65.42 H new ATOM 0 HE2 MET A 13 4.887 1.477 -11.345 1.00 65.42 H new ATOM 0 HE3 MET A 13 3.138 1.713 -11.116 1.00 65.42 H new ATOM 205 N GLY A 14 2.361 5.107 -8.865 1.00 54.53 N ATOM 206 CA GLY A 14 1.573 5.781 -9.896 1.00 20.25 C ATOM 207 C GLY A 14 1.156 7.200 -9.515 1.00 5.35 C ATOM 208 O GLY A 14 0.787 7.994 -10.376 1.00 62.13 O ATOM 0 H GLY A 14 1.939 4.253 -8.501 1.00 54.53 H new ATOM 0 HA2 GLY A 14 2.152 5.817 -10.819 1.00 20.25 H new ATOM 0 HA3 GLY A 14 0.680 5.192 -10.102 1.00 20.25 H new ATOM 212 N PHE A 15 1.199 7.518 -8.220 1.00 50.40 N ATOM 213 CA PHE A 15 0.894 8.874 -7.740 1.00 72.11 C ATOM 214 C PHE A 15 2.168 9.717 -7.557 1.00 74.13 C ATOM 215 O PHE A 15 2.092 10.933 -7.359 1.00 72.30 O ATOM 216 CB PHE A 15 0.118 8.815 -6.413 1.00 52.33 C ATOM 217 CG PHE A 15 -1.293 8.299 -6.555 1.00 43.42 C ATOM 218 CD1 PHE A 15 -2.318 9.150 -6.943 1.00 60.44 C ATOM 219 CD2 PHE A 15 -1.594 6.968 -6.306 1.00 12.24 C ATOM 220 CE1 PHE A 15 -3.612 8.686 -7.077 1.00 54.21 C ATOM 221 CE2 PHE A 15 -2.888 6.498 -6.437 1.00 12.23 C ATOM 222 CZ PHE A 15 -3.897 7.358 -6.824 1.00 24.51 C ATOM 0 H PHE A 15 1.442 6.857 -7.482 1.00 50.40 H new ATOM 0 HA PHE A 15 0.277 9.353 -8.501 1.00 72.11 H new ATOM 0 HB2 PHE A 15 0.660 8.177 -5.714 1.00 52.33 H new ATOM 0 HB3 PHE A 15 0.088 9.813 -5.976 1.00 52.33 H new ATOM 0 HD1 PHE A 15 -2.101 10.189 -7.143 1.00 60.44 H new ATOM 0 HD2 PHE A 15 -0.808 6.290 -6.006 1.00 12.24 H new ATOM 0 HE1 PHE A 15 -4.400 9.360 -7.379 1.00 54.21 H new ATOM 0 HE2 PHE A 15 -3.109 5.460 -6.237 1.00 12.23 H new ATOM 0 HZ PHE A 15 -4.908 6.993 -6.929 1.00 24.51 H new ATOM 232 N GLN A 16 3.333 9.071 -7.612 1.00 10.12 N ATOM 233 CA GLN A 16 4.611 9.764 -7.386 1.00 5.04 C ATOM 234 C GLN A 16 5.171 10.356 -8.689 1.00 12.22 C ATOM 235 O GLN A 16 5.798 11.413 -8.676 1.00 4.24 O ATOM 236 CB GLN A 16 5.638 8.805 -6.757 1.00 34.24 C ATOM 237 CG GLN A 16 6.842 9.507 -6.115 1.00 54.44 C ATOM 238 CD GLN A 16 8.177 9.200 -6.787 1.00 72.52 C ATOM 239 OE1 GLN A 16 8.170 8.975 -8.088 1.00 61.31 O flip ATOM 240 NE2 GLN A 16 9.219 9.182 -6.139 1.00 1.31 N flip ATOM 0 H GLN A 16 3.423 8.074 -7.810 1.00 10.12 H new ATOM 0 HA GLN A 16 4.422 10.587 -6.697 1.00 5.04 H new ATOM 0 HB2 GLN A 16 5.138 8.200 -6.000 1.00 34.24 H new ATOM 0 HB3 GLN A 16 5.998 8.121 -7.525 1.00 34.24 H new ATOM 0 HG2 GLN A 16 6.675 10.584 -6.139 1.00 54.44 H new ATOM 0 HG3 GLN A 16 6.901 9.216 -5.066 1.00 54.44 H new ATOM 0 HE21 GLN A 16 9.198 9.359 -5.135 1.00 1.31 H new ATOM 0 HE22 GLN A 16 10.106 8.990 -6.605 1.00 1.31 H new ATOM 249 N ASN A 17 4.946 9.660 -9.808 1.00 42.45 N ATOM 250 CA ASN A 17 5.400 10.131 -11.130 1.00 13.15 C ATOM 251 C ASN A 17 4.924 11.570 -11.404 1.00 53.33 C ATOM 252 O ASN A 17 5.724 12.507 -11.457 1.00 55.52 O ATOM 253 CB ASN A 17 4.885 9.193 -12.231 1.00 64.14 C ATOM 254 CG ASN A 17 5.302 9.642 -13.621 1.00 40.23 C ATOM 255 OD1 ASN A 17 6.379 10.201 -13.813 1.00 51.13 O ATOM 256 ND2 ASN A 17 4.445 9.422 -14.598 1.00 45.42 N ATOM 0 H ASN A 17 4.452 8.768 -9.830 1.00 42.45 H new ATOM 0 HA ASN A 17 6.490 10.126 -11.131 1.00 13.15 H new ATOM 0 HB2 ASN A 17 5.260 8.186 -12.050 1.00 64.14 H new ATOM 0 HB3 ASN A 17 3.797 9.142 -12.180 1.00 64.14 H new ATOM 0 HD21 ASN A 17 4.668 9.719 -15.548 1.00 45.42 H new ATOM 0 HD22 ASN A 17 3.559 8.955 -14.404 1.00 45.42 H new ATOM 263 N ASP A 18 3.619 11.738 -11.597 1.00 33.05 N ATOM 264 CA ASP A 18 3.027 13.071 -11.694 1.00 33.02 C ATOM 265 C ASP A 18 2.635 13.543 -10.287 1.00 1.21 C ATOM 266 O ASP A 18 1.764 12.954 -9.641 1.00 71.02 O ATOM 267 CB ASP A 18 1.830 13.057 -12.649 1.00 52.44 C ATOM 268 CG ASP A 18 2.227 12.583 -14.041 1.00 34.23 C ATOM 269 OD1 ASP A 18 2.984 13.308 -14.726 1.00 24.14 O ATOM 270 OD2 ASP A 18 1.811 11.479 -14.450 1.00 72.42 O ATOM 0 H ASP A 18 2.952 10.972 -11.689 1.00 33.05 H new ATOM 0 HA ASP A 18 3.751 13.774 -12.106 1.00 33.02 H new ATOM 0 HB2 ASP A 18 1.053 12.405 -12.250 1.00 52.44 H new ATOM 0 HB3 ASP A 18 1.404 14.058 -12.713 1.00 52.44 H new ATOM 275 N ASN A 19 3.296 14.602 -9.824 1.00 70.55 N ATOM 276 CA ASN A 19 3.297 14.981 -8.404 1.00 43.41 C ATOM 277 C ASN A 19 1.892 15.243 -7.836 1.00 62.40 C ATOM 278 O ASN A 19 1.232 16.224 -8.179 1.00 62.33 O ATOM 279 CB ASN A 19 4.189 16.210 -8.202 1.00 11.31 C ATOM 280 CG ASN A 19 5.665 15.922 -8.456 1.00 43.13 C ATOM 281 OD1 ASN A 19 5.969 14.883 -9.218 1.00 52.23 O flip ATOM 282 ND2 ASN A 19 6.537 16.622 -7.956 1.00 33.23 N flip ATOM 0 H ASN A 19 3.846 15.223 -10.417 1.00 70.55 H new ATOM 0 HA ASN A 19 3.692 14.130 -7.850 1.00 43.41 H new ATOM 0 HB2 ASN A 19 3.859 17.005 -8.870 1.00 11.31 H new ATOM 0 HB3 ASN A 19 4.066 16.578 -7.183 1.00 11.31 H new ATOM 0 HD21 ASN A 19 6.280 17.418 -7.372 1.00 33.23 H new ATOM 0 HD22 ASN A 19 7.520 16.409 -8.124 1.00 33.23 H new ATOM 289 N THR A 20 1.458 14.348 -6.952 1.00 1.33 N ATOM 290 CA THR A 20 0.193 14.496 -6.215 1.00 45.03 C ATOM 291 C THR A 20 0.454 14.451 -4.702 1.00 33.11 C ATOM 292 O THR A 20 1.469 13.904 -4.267 1.00 34.44 O ATOM 293 CB THR A 20 -0.804 13.361 -6.567 1.00 11.54 C ATOM 294 OG1 THR A 20 -0.265 12.092 -6.165 1.00 44.10 O ATOM 295 CG2 THR A 20 -1.115 13.341 -8.059 1.00 41.11 C ATOM 0 H THR A 20 1.970 13.496 -6.722 1.00 1.33 H new ATOM 0 HA THR A 20 -0.238 15.455 -6.501 1.00 45.03 H new ATOM 0 HB THR A 20 -1.733 13.549 -6.028 1.00 11.54 H new ATOM 0 HG1 THR A 20 0.541 11.898 -6.688 1.00 44.10 H new ATOM 0 HG21 THR A 20 -1.816 12.535 -8.274 1.00 41.11 H new ATOM 0 HG22 THR A 20 -1.557 14.294 -8.351 1.00 41.11 H new ATOM 0 HG23 THR A 20 -0.195 13.180 -8.620 1.00 41.11 H new ATOM 303 N PRO A 21 -0.451 15.012 -3.868 1.00 12.43 N ATOM 304 CA PRO A 21 -0.322 14.940 -2.397 1.00 33.42 C ATOM 305 C PRO A 21 -0.132 13.496 -1.893 1.00 55.23 C ATOM 306 O PRO A 21 0.563 13.251 -0.906 1.00 45.54 O ATOM 307 CB PRO A 21 -1.654 15.523 -1.899 1.00 24.55 C ATOM 308 CG PRO A 21 -2.103 16.425 -3.000 1.00 53.22 C ATOM 309 CD PRO A 21 -1.651 15.770 -4.280 1.00 43.44 C ATOM 0 HA PRO A 21 0.554 15.477 -2.034 1.00 33.42 H new ATOM 0 HB2 PRO A 21 -2.384 14.737 -1.707 1.00 24.55 H new ATOM 0 HB3 PRO A 21 -1.523 16.071 -0.966 1.00 24.55 H new ATOM 0 HG2 PRO A 21 -3.186 16.550 -2.986 1.00 53.22 H new ATOM 0 HG3 PRO A 21 -1.667 17.418 -2.894 1.00 53.22 H new ATOM 0 HD2 PRO A 21 -2.420 15.115 -4.690 1.00 43.44 H new ATOM 0 HD3 PRO A 21 -1.417 16.507 -5.048 1.00 43.44 H new ATOM 317 N PHE A 22 -0.746 12.543 -2.595 1.00 24.44 N ATOM 318 CA PHE A 22 -0.601 11.118 -2.268 1.00 51.15 C ATOM 319 C PHE A 22 0.764 10.585 -2.732 1.00 22.31 C ATOM 320 O PHE A 22 1.317 9.652 -2.145 1.00 2.04 O ATOM 321 CB PHE A 22 -1.733 10.311 -2.918 1.00 14.34 C ATOM 322 CG PHE A 22 -3.109 10.793 -2.536 1.00 4.12 C ATOM 323 CD1 PHE A 22 -3.731 10.323 -1.388 1.00 34.55 C ATOM 324 CD2 PHE A 22 -3.778 11.720 -3.324 1.00 22.21 C ATOM 325 CE1 PHE A 22 -4.991 10.766 -1.036 1.00 52.50 C ATOM 326 CE2 PHE A 22 -5.038 12.166 -2.974 1.00 31.04 C ATOM 327 CZ PHE A 22 -5.645 11.688 -1.829 1.00 21.23 C ATOM 0 H PHE A 22 -1.350 12.729 -3.395 1.00 24.44 H new ATOM 0 HA PHE A 22 -0.660 11.007 -1.185 1.00 51.15 H new ATOM 0 HB2 PHE A 22 -1.627 10.359 -4.002 1.00 14.34 H new ATOM 0 HB3 PHE A 22 -1.631 9.264 -2.634 1.00 14.34 H new ATOM 0 HD1 PHE A 22 -3.224 9.603 -0.763 1.00 34.55 H new ATOM 0 HD2 PHE A 22 -3.308 12.097 -4.221 1.00 22.21 H new ATOM 0 HE1 PHE A 22 -5.465 10.391 -0.141 1.00 52.50 H new ATOM 0 HE2 PHE A 22 -5.548 12.888 -3.595 1.00 31.04 H new ATOM 0 HZ PHE A 22 -6.630 12.035 -1.554 1.00 21.23 H new ATOM 337 N GLY A 23 1.302 11.194 -3.788 1.00 5.45 N ATOM 338 CA GLY A 23 2.613 10.816 -4.299 1.00 10.33 C ATOM 339 C GLY A 23 3.732 11.024 -3.287 1.00 24.43 C ATOM 340 O GLY A 23 4.761 10.354 -3.346 1.00 31.32 O ATOM 0 H GLY A 23 0.849 11.949 -4.303 1.00 5.45 H new ATOM 0 HA2 GLY A 23 2.591 9.768 -4.597 1.00 10.33 H new ATOM 0 HA3 GLY A 23 2.829 11.398 -5.195 1.00 10.33 H new ATOM 344 N ILE A 24 3.529 11.956 -2.355 1.00 34.11 N ATOM 345 CA ILE A 24 4.493 12.197 -1.275 1.00 31.23 C ATOM 346 C ILE A 24 4.651 10.947 -0.392 1.00 1.52 C ATOM 347 O ILE A 24 5.735 10.666 0.117 1.00 11.22 O ATOM 348 CB ILE A 24 4.068 13.404 -0.400 1.00 52.31 C ATOM 349 CG1 ILE A 24 3.882 14.657 -1.273 1.00 75.24 C ATOM 350 CG2 ILE A 24 5.095 13.663 0.706 1.00 32.02 C ATOM 351 CD1 ILE A 24 5.134 15.086 -2.017 1.00 72.13 C ATOM 0 H ILE A 24 2.706 12.558 -2.324 1.00 34.11 H new ATOM 0 HA ILE A 24 5.451 12.426 -1.741 1.00 31.23 H new ATOM 0 HB ILE A 24 3.115 13.167 0.074 1.00 52.31 H new ATOM 0 HG12 ILE A 24 3.089 14.468 -1.997 1.00 75.24 H new ATOM 0 HG13 ILE A 24 3.548 15.480 -0.642 1.00 75.24 H new ATOM 0 HG21 ILE A 24 4.776 14.514 1.307 1.00 32.02 H new ATOM 0 HG22 ILE A 24 5.176 12.781 1.341 1.00 32.02 H new ATOM 0 HG23 ILE A 24 6.065 13.879 0.258 1.00 32.02 H new ATOM 0 HD11 ILE A 24 4.919 15.976 -2.609 1.00 72.13 H new ATOM 0 HD12 ILE A 24 5.924 15.309 -1.301 1.00 72.13 H new ATOM 0 HD13 ILE A 24 5.459 14.281 -2.677 1.00 72.13 H new ATOM 363 N LEU A 25 3.561 10.194 -0.229 1.00 41.12 N ATOM 364 CA LEU A 25 3.604 8.916 0.492 1.00 22.00 C ATOM 365 C LEU A 25 4.488 7.917 -0.278 1.00 24.51 C ATOM 366 O LEU A 25 5.390 7.301 0.292 1.00 22.03 O ATOM 367 CB LEU A 25 2.169 8.369 0.678 1.00 11.41 C ATOM 368 CG LEU A 25 1.998 7.152 1.621 1.00 74.01 C ATOM 369 CD1 LEU A 25 2.456 5.848 0.967 1.00 0.22 C ATOM 370 CD2 LEU A 25 2.737 7.376 2.942 1.00 34.14 C ATOM 0 H LEU A 25 2.639 10.445 -0.585 1.00 41.12 H new ATOM 0 HA LEU A 25 4.039 9.065 1.480 1.00 22.00 H new ATOM 0 HB2 LEU A 25 1.544 9.179 1.053 1.00 11.41 H new ATOM 0 HB3 LEU A 25 1.781 8.095 -0.303 1.00 11.41 H new ATOM 0 HG LEU A 25 0.932 7.057 1.828 1.00 74.01 H new ATOM 0 HD11 LEU A 25 2.317 5.023 1.665 1.00 0.22 H new ATOM 0 HD12 LEU A 25 1.867 5.666 0.068 1.00 0.22 H new ATOM 0 HD13 LEU A 25 3.510 5.925 0.701 1.00 0.22 H new ATOM 0 HD21 LEU A 25 2.601 6.507 3.587 1.00 34.14 H new ATOM 0 HD22 LEU A 25 3.799 7.519 2.745 1.00 34.14 H new ATOM 0 HD23 LEU A 25 2.337 8.261 3.437 1.00 34.14 H new ATOM 382 N ALA A 26 4.226 7.783 -1.582 1.00 32.35 N ATOM 383 CA ALA A 26 5.031 6.922 -2.462 1.00 50.03 C ATOM 384 C ALA A 26 6.506 7.359 -2.480 1.00 74.43 C ATOM 385 O ALA A 26 7.414 6.527 -2.519 1.00 1.44 O ATOM 386 CB ALA A 26 4.459 6.933 -3.875 1.00 24.41 C ATOM 0 H ALA A 26 3.460 8.261 -2.056 1.00 32.35 H new ATOM 0 HA ALA A 26 4.989 5.907 -2.068 1.00 50.03 H new ATOM 0 HB1 ALA A 26 5.063 6.292 -4.517 1.00 24.41 H new ATOM 0 HB2 ALA A 26 3.434 6.564 -3.855 1.00 24.41 H new ATOM 0 HB3 ALA A 26 4.471 7.951 -4.264 1.00 24.41 H new ATOM 392 N GLU A 27 6.732 8.669 -2.451 1.00 12.24 N ATOM 393 CA GLU A 27 8.084 9.224 -2.349 1.00 51.54 C ATOM 394 C GLU A 27 8.746 8.813 -1.030 1.00 24.54 C ATOM 395 O GLU A 27 9.884 8.338 -1.008 1.00 72.22 O ATOM 396 CB GLU A 27 8.036 10.757 -2.434 1.00 72.03 C ATOM 397 CG GLU A 27 9.379 11.431 -2.156 1.00 50.23 C ATOM 398 CD GLU A 27 9.280 12.944 -2.052 1.00 31.13 C ATOM 399 OE1 GLU A 27 8.987 13.453 -0.948 1.00 12.41 O ATOM 400 OE2 GLU A 27 9.523 13.635 -3.065 1.00 62.41 O ATOM 0 H GLU A 27 5.994 9.372 -2.497 1.00 12.24 H new ATOM 0 HA GLU A 27 8.672 8.829 -3.178 1.00 51.54 H new ATOM 0 HB2 GLU A 27 7.693 11.046 -3.428 1.00 72.03 H new ATOM 0 HB3 GLU A 27 7.299 11.128 -1.722 1.00 72.03 H new ATOM 0 HG2 GLU A 27 9.791 11.036 -1.228 1.00 50.23 H new ATOM 0 HG3 GLU A 27 10.079 11.173 -2.951 1.00 50.23 H new ATOM 407 N HIS A 28 8.021 8.997 0.071 1.00 22.04 N ATOM 408 CA HIS A 28 8.550 8.692 1.396 1.00 53.24 C ATOM 409 C HIS A 28 8.942 7.214 1.512 1.00 33.41 C ATOM 410 O HIS A 28 10.063 6.904 1.904 1.00 4.24 O ATOM 411 CB HIS A 28 7.540 9.067 2.488 1.00 5.31 C ATOM 412 CG HIS A 28 8.087 8.912 3.876 1.00 23.30 C ATOM 413 ND1 HIS A 28 7.539 8.392 4.997 1.00 2.45 N flip ATOM 414 CD2 HIS A 28 9.359 9.317 4.232 1.00 35.50 C flip ATOM 415 CE1 HIS A 28 8.478 8.493 5.992 1.00 22.12 C flip ATOM 416 NE2 HIS A 28 9.564 9.052 5.506 1.00 42.04 N flip ATOM 0 H HIS A 28 7.066 9.356 0.071 1.00 22.04 H new ATOM 0 HA HIS A 28 9.449 9.292 1.538 1.00 53.24 H new ATOM 0 HB2 HIS A 28 7.224 10.100 2.342 1.00 5.31 H new ATOM 0 HB3 HIS A 28 6.652 8.444 2.382 1.00 5.31 H new ATOM 0 HD2 HIS A 28 10.075 9.779 3.568 1.00 35.50 H new ATOM 0 HE1 HIS A 28 8.346 8.165 7.013 1.00 22.12 H new ATOM 0 HE2 HIS A 28 10.419 9.247 6.026 1.00 42.04 H new ATOM 425 N VAL A 29 8.032 6.305 1.146 1.00 53.54 N ATOM 426 CA VAL A 29 8.320 4.863 1.213 1.00 73.04 C ATOM 427 C VAL A 29 9.503 4.479 0.305 1.00 22.14 C ATOM 428 O VAL A 29 10.201 3.497 0.558 1.00 63.12 O ATOM 429 CB VAL A 29 7.084 3.993 0.862 1.00 31.33 C ATOM 430 CG1 VAL A 29 5.922 4.295 1.805 1.00 33.10 C ATOM 431 CG2 VAL A 29 6.666 4.182 -0.595 1.00 24.21 C ATOM 0 H VAL A 29 7.099 6.535 0.804 1.00 53.54 H new ATOM 0 HA VAL A 29 8.589 4.659 2.249 1.00 73.04 H new ATOM 0 HB VAL A 29 7.366 2.948 0.992 1.00 31.33 H new ATOM 0 HG11 VAL A 29 5.067 3.673 1.540 1.00 33.10 H new ATOM 0 HG12 VAL A 29 6.221 4.082 2.831 1.00 33.10 H new ATOM 0 HG13 VAL A 29 5.647 5.346 1.719 1.00 33.10 H new ATOM 0 HG21 VAL A 29 5.798 3.559 -0.808 1.00 24.21 H new ATOM 0 HG22 VAL A 29 6.413 5.228 -0.768 1.00 24.21 H new ATOM 0 HG23 VAL A 29 7.489 3.894 -1.250 1.00 24.21 H new ATOM 441 N SER A 30 9.730 5.264 -0.751 1.00 14.12 N ATOM 442 CA SER A 30 10.920 5.092 -1.596 1.00 5.42 C ATOM 443 C SER A 30 12.197 5.373 -0.782 1.00 40.23 C ATOM 444 O SER A 30 13.203 4.673 -0.914 1.00 71.02 O ATOM 445 CB SER A 30 10.861 6.019 -2.820 1.00 12.15 C ATOM 446 OG SER A 30 12.002 5.859 -3.654 1.00 11.14 O ATOM 0 H SER A 30 9.111 6.021 -1.042 1.00 14.12 H new ATOM 0 HA SER A 30 10.942 4.060 -1.947 1.00 5.42 H new ATOM 0 HB2 SER A 30 9.958 5.808 -3.393 1.00 12.15 H new ATOM 0 HB3 SER A 30 10.794 7.055 -2.489 1.00 12.15 H new ATOM 0 HG SER A 30 11.932 6.462 -4.424 1.00 11.14 H new ATOM 452 N GLU A 31 12.142 6.399 0.067 1.00 42.32 N ATOM 453 CA GLU A 31 13.238 6.704 0.993 1.00 22.10 C ATOM 454 C GLU A 31 13.287 5.664 2.126 1.00 63.11 C ATOM 455 O GLU A 31 14.360 5.266 2.579 1.00 65.25 O ATOM 456 CB GLU A 31 13.066 8.121 1.563 1.00 70.14 C ATOM 457 CG GLU A 31 14.179 8.557 2.516 1.00 61.03 C ATOM 458 CD GLU A 31 15.560 8.551 1.873 1.00 22.52 C ATOM 459 OE1 GLU A 31 15.792 9.340 0.932 1.00 30.22 O ATOM 460 OE2 GLU A 31 16.422 7.756 2.305 1.00 34.30 O ATOM 0 H GLU A 31 11.348 7.036 0.134 1.00 42.32 H new ATOM 0 HA GLU A 31 14.182 6.660 0.450 1.00 22.10 H new ATOM 0 HB2 GLU A 31 13.015 8.829 0.736 1.00 70.14 H new ATOM 0 HB3 GLU A 31 12.112 8.175 2.088 1.00 70.14 H new ATOM 0 HG2 GLU A 31 13.961 9.560 2.883 1.00 61.03 H new ATOM 0 HG3 GLU A 31 14.186 7.895 3.382 1.00 61.03 H new ATOM 467 N ASP A 32 12.111 5.216 2.564 1.00 72.23 N ATOM 468 CA ASP A 32 12.007 4.152 3.561 1.00 11.55 C ATOM 469 C ASP A 32 12.669 2.856 3.070 1.00 52.42 C ATOM 470 O ASP A 32 13.178 2.076 3.869 1.00 24.15 O ATOM 471 CB ASP A 32 10.541 3.890 3.920 1.00 55.42 C ATOM 472 CG ASP A 32 9.972 4.941 4.861 1.00 23.54 C ATOM 473 OD1 ASP A 32 10.327 4.916 6.062 1.00 60.23 O ATOM 474 OD2 ASP A 32 9.151 5.769 4.424 1.00 1.20 O ATOM 0 H ASP A 32 11.213 5.576 2.242 1.00 72.23 H new ATOM 0 HA ASP A 32 12.536 4.486 4.454 1.00 11.55 H new ATOM 0 HB2 ASP A 32 9.946 3.865 3.007 1.00 55.42 H new ATOM 0 HB3 ASP A 32 10.454 2.907 4.384 1.00 55.42 H new ATOM 479 N LYS A 33 12.651 2.626 1.753 1.00 61.14 N ATOM 480 CA LYS A 33 13.376 1.499 1.155 1.00 15.24 C ATOM 481 C LYS A 33 14.885 1.598 1.439 1.00 1.23 C ATOM 482 O LYS A 33 15.544 0.593 1.713 1.00 65.44 O ATOM 483 CB LYS A 33 13.134 1.440 -0.364 1.00 34.31 C ATOM 484 CG LYS A 33 14.058 0.470 -1.105 1.00 12.24 C ATOM 485 CD LYS A 33 13.935 -0.965 -0.583 1.00 74.33 C ATOM 486 CE LYS A 33 15.006 -1.878 -1.171 1.00 74.24 C ATOM 487 NZ LYS A 33 16.381 -1.447 -0.791 1.00 71.11 N ATOM 0 H LYS A 33 12.144 3.203 1.082 1.00 61.14 H new ATOM 0 HA LYS A 33 12.996 0.584 1.610 1.00 15.24 H new ATOM 0 HB2 LYS A 33 12.099 1.150 -0.546 1.00 34.31 H new ATOM 0 HB3 LYS A 33 13.263 2.439 -0.781 1.00 34.31 H new ATOM 0 HG2 LYS A 33 13.822 0.488 -2.169 1.00 12.24 H new ATOM 0 HG3 LYS A 33 15.090 0.805 -1.001 1.00 12.24 H new ATOM 0 HD2 LYS A 33 14.016 -0.964 0.504 1.00 74.33 H new ATOM 0 HD3 LYS A 33 12.948 -1.357 -0.829 1.00 74.33 H new ATOM 0 HE2 LYS A 33 14.839 -2.899 -0.828 1.00 74.24 H new ATOM 0 HE3 LYS A 33 14.917 -1.888 -2.257 1.00 74.24 H new ATOM 0 HZ1 LYS A 33 16.941 -2.278 -0.514 1.00 71.11 H new ATOM 0 HZ2 LYS A 33 16.834 -0.979 -1.601 1.00 71.11 H new ATOM 0 HZ3 LYS A 33 16.328 -0.783 0.008 1.00 71.11 H new ATOM 501 N ALA A 34 15.425 2.811 1.373 1.00 43.21 N ATOM 502 CA ALA A 34 16.844 3.039 1.663 1.00 74.54 C ATOM 503 C ALA A 34 17.174 2.683 3.123 1.00 53.22 C ATOM 504 O ALA A 34 18.308 2.326 3.455 1.00 20.41 O ATOM 505 CB ALA A 34 17.213 4.486 1.359 1.00 20.33 C ATOM 0 H ALA A 34 14.906 3.652 1.122 1.00 43.21 H new ATOM 0 HA ALA A 34 17.437 2.386 1.023 1.00 74.54 H new ATOM 0 HB1 ALA A 34 18.269 4.646 1.577 1.00 20.33 H new ATOM 0 HB2 ALA A 34 17.024 4.696 0.306 1.00 20.33 H new ATOM 0 HB3 ALA A 34 16.610 5.153 1.976 1.00 20.33 H new ATOM 511 N PHE A 35 16.161 2.779 3.982 1.00 63.53 N ATOM 512 CA PHE A 35 16.275 2.405 5.394 1.00 1.23 C ATOM 513 C PHE A 35 15.859 0.931 5.595 1.00 2.11 C ATOM 514 O PHE A 35 14.854 0.485 5.044 1.00 15.31 O ATOM 515 CB PHE A 35 15.386 3.336 6.239 1.00 35.24 C ATOM 516 CG PHE A 35 15.468 3.096 7.728 1.00 41.54 C ATOM 517 CD1 PHE A 35 16.488 3.661 8.482 1.00 22.14 C ATOM 518 CD2 PHE A 35 14.522 2.310 8.373 1.00 73.12 C ATOM 519 CE1 PHE A 35 16.563 3.448 9.845 1.00 55.33 C ATOM 520 CE2 PHE A 35 14.595 2.093 9.735 1.00 61.02 C ATOM 521 CZ PHE A 35 15.615 2.664 10.473 1.00 22.44 C ATOM 0 H PHE A 35 15.236 3.119 3.720 1.00 63.53 H new ATOM 0 HA PHE A 35 17.312 2.511 5.713 1.00 1.23 H new ATOM 0 HB2 PHE A 35 15.665 4.369 6.034 1.00 35.24 H new ATOM 0 HB3 PHE A 35 14.350 3.217 5.921 1.00 35.24 H new ATOM 0 HD1 PHE A 35 17.232 4.275 7.997 1.00 22.14 H new ATOM 0 HD2 PHE A 35 13.720 1.864 7.803 1.00 73.12 H new ATOM 0 HE1 PHE A 35 17.362 3.894 10.419 1.00 55.33 H new ATOM 0 HE2 PHE A 35 13.855 1.477 10.224 1.00 61.02 H new ATOM 0 HZ PHE A 35 15.670 2.497 11.539 1.00 22.44 H new ATOM 531 N PRO A 36 16.629 0.145 6.373 1.00 61.30 N ATOM 532 CA PRO A 36 16.304 -1.270 6.640 1.00 34.22 C ATOM 533 C PRO A 36 14.899 -1.489 7.244 1.00 43.13 C ATOM 534 O PRO A 36 14.733 -1.548 8.461 1.00 24.22 O ATOM 535 CB PRO A 36 17.400 -1.711 7.627 1.00 55.00 C ATOM 536 CG PRO A 36 18.528 -0.766 7.380 1.00 43.41 C ATOM 537 CD PRO A 36 17.888 0.550 7.023 1.00 60.23 C ATOM 0 HA PRO A 36 16.279 -1.846 5.715 1.00 34.22 H new ATOM 0 HB2 PRO A 36 17.052 -1.653 8.658 1.00 55.00 H new ATOM 0 HB3 PRO A 36 17.701 -2.743 7.450 1.00 55.00 H new ATOM 0 HG2 PRO A 36 19.157 -0.668 8.265 1.00 43.41 H new ATOM 0 HG3 PRO A 36 19.167 -1.122 6.572 1.00 43.41 H new ATOM 0 HD2 PRO A 36 17.707 1.163 7.906 1.00 60.23 H new ATOM 0 HD3 PRO A 36 18.517 1.135 6.353 1.00 60.23 H new ATOM 545 N ARG A 37 13.886 -1.568 6.374 1.00 52.01 N ATOM 546 CA ARG A 37 12.517 -1.940 6.777 1.00 63.34 C ATOM 547 C ARG A 37 12.148 -3.352 6.278 1.00 15.40 C ATOM 548 O ARG A 37 11.323 -4.035 6.885 1.00 52.21 O ATOM 549 CB ARG A 37 11.501 -0.903 6.251 1.00 34.11 C ATOM 550 CG ARG A 37 11.432 0.372 7.094 1.00 51.31 C ATOM 551 CD ARG A 37 10.606 1.474 6.430 1.00 65.42 C ATOM 552 NE ARG A 37 9.258 1.038 6.056 1.00 20.54 N ATOM 553 CZ ARG A 37 8.214 1.823 5.993 1.00 73.20 C ATOM 554 NH1 ARG A 37 8.300 3.069 6.340 1.00 23.31 N ATOM 555 NH2 ARG A 37 7.080 1.354 5.598 1.00 64.11 N ATOM 0 H ARG A 37 13.986 -1.378 5.377 1.00 52.01 H new ATOM 0 HA ARG A 37 12.481 -1.950 7.866 1.00 63.34 H new ATOM 0 HB2 ARG A 37 11.763 -0.637 5.227 1.00 34.11 H new ATOM 0 HB3 ARG A 37 10.512 -1.360 6.218 1.00 34.11 H new ATOM 0 HG2 ARG A 37 11.001 0.137 8.067 1.00 51.31 H new ATOM 0 HG3 ARG A 37 12.442 0.739 7.274 1.00 51.31 H new ATOM 0 HD2 ARG A 37 10.531 2.323 7.110 1.00 65.42 H new ATOM 0 HD3 ARG A 37 11.128 1.824 5.539 1.00 65.42 H new ATOM 0 HE ARG A 37 9.125 0.053 5.829 1.00 20.54 H new ATOM 0 HH11 ARG A 37 9.189 3.447 6.667 1.00 23.31 H new ATOM 0 HH12 ARG A 37 7.478 3.671 6.286 1.00 23.31 H new ATOM 0 HH21 ARG A 37 6.998 0.372 5.335 1.00 64.11 H new ATOM 0 HH22 ARG A 37 6.265 1.965 5.548 1.00 64.11 H new ATOM 569 N LEU A 38 12.772 -3.773 5.168 1.00 31.33 N ATOM 570 CA LEU A 38 12.564 -5.113 4.585 1.00 44.54 C ATOM 571 C LEU A 38 11.072 -5.467 4.435 1.00 0.43 C ATOM 572 O LEU A 38 10.541 -6.307 5.167 1.00 71.13 O ATOM 573 CB LEU A 38 13.279 -6.200 5.412 1.00 73.03 C ATOM 574 CG LEU A 38 14.822 -6.151 5.411 1.00 42.21 C ATOM 575 CD1 LEU A 38 15.342 -4.935 6.174 1.00 54.21 C ATOM 576 CD2 LEU A 38 15.398 -7.441 5.991 1.00 14.33 C ATOM 0 H LEU A 38 13.434 -3.198 4.648 1.00 31.33 H new ATOM 0 HA LEU A 38 12.999 -5.081 3.586 1.00 44.54 H new ATOM 0 HB2 LEU A 38 12.934 -6.128 6.444 1.00 73.03 H new ATOM 0 HB3 LEU A 38 12.967 -7.175 5.039 1.00 73.03 H new ATOM 0 HG LEU A 38 15.153 -6.057 4.377 1.00 42.21 H new ATOM 0 HD11 LEU A 38 16.432 -4.931 6.154 1.00 54.21 H new ATOM 0 HD12 LEU A 38 14.967 -4.024 5.706 1.00 54.21 H new ATOM 0 HD13 LEU A 38 14.999 -4.980 7.208 1.00 54.21 H new ATOM 0 HD21 LEU A 38 16.487 -7.389 5.983 1.00 14.33 H new ATOM 0 HD22 LEU A 38 15.049 -7.567 7.016 1.00 14.33 H new ATOM 0 HD23 LEU A 38 15.070 -8.289 5.389 1.00 14.33 H new ATOM 588 N GLU A 39 10.397 -4.830 3.482 1.00 73.45 N ATOM 589 CA GLU A 39 8.958 -5.046 3.296 1.00 41.31 C ATOM 590 C GLU A 39 8.635 -5.637 1.918 1.00 3.02 C ATOM 591 O GLU A 39 8.593 -4.935 0.903 1.00 15.54 O ATOM 592 CB GLU A 39 8.197 -3.736 3.531 1.00 51.23 C ATOM 593 CG GLU A 39 8.379 -3.190 4.945 1.00 54.12 C ATOM 594 CD GLU A 39 7.674 -1.864 5.169 1.00 64.45 C ATOM 595 OE1 GLU A 39 8.009 -0.893 4.470 1.00 70.42 O ATOM 596 OE2 GLU A 39 6.808 -1.778 6.068 1.00 3.33 O ATOM 0 H GLU A 39 10.815 -4.166 2.830 1.00 73.45 H new ATOM 0 HA GLU A 39 8.632 -5.780 4.033 1.00 41.31 H new ATOM 0 HB2 GLU A 39 8.537 -2.990 2.812 1.00 51.23 H new ATOM 0 HB3 GLU A 39 7.136 -3.899 3.344 1.00 51.23 H new ATOM 0 HG2 GLU A 39 8.002 -3.920 5.661 1.00 54.12 H new ATOM 0 HG3 GLU A 39 9.443 -3.067 5.146 1.00 54.12 H new ATOM 603 N GLU A 40 8.436 -6.951 1.896 1.00 75.12 N ATOM 604 CA GLU A 40 8.024 -7.667 0.685 1.00 52.13 C ATOM 605 C GLU A 40 6.528 -7.999 0.737 1.00 74.31 C ATOM 606 O GLU A 40 5.875 -8.174 -0.295 1.00 40.13 O ATOM 607 CB GLU A 40 8.844 -8.954 0.544 1.00 23.22 C ATOM 608 CG GLU A 40 8.590 -9.721 -0.751 1.00 12.14 C ATOM 609 CD GLU A 40 9.405 -11.002 -0.837 1.00 51.11 C ATOM 610 OE1 GLU A 40 10.641 -10.937 -0.673 1.00 70.15 O ATOM 611 OE2 GLU A 40 8.807 -12.081 -1.042 1.00 60.03 O ATOM 0 H GLU A 40 8.554 -7.551 2.712 1.00 75.12 H new ATOM 0 HA GLU A 40 8.204 -7.028 -0.179 1.00 52.13 H new ATOM 0 HB2 GLU A 40 9.903 -8.704 0.603 1.00 23.22 H new ATOM 0 HB3 GLU A 40 8.623 -9.607 1.389 1.00 23.22 H new ATOM 0 HG2 GLU A 40 7.530 -9.963 -0.825 1.00 12.14 H new ATOM 0 HG3 GLU A 40 8.831 -9.083 -1.601 1.00 12.14 H new ATOM 618 N ARG A 41 5.995 -8.084 1.955 1.00 13.41 N ATOM 619 CA ARG A 41 4.572 -8.368 2.173 1.00 65.31 C ATOM 620 C ARG A 41 3.738 -7.077 2.090 1.00 63.22 C ATOM 621 O ARG A 41 4.245 -6.024 1.707 1.00 2.53 O ATOM 622 CB ARG A 41 4.362 -9.054 3.537 1.00 15.44 C ATOM 623 CG ARG A 41 4.856 -10.502 3.617 1.00 34.53 C ATOM 624 CD ARG A 41 6.362 -10.621 3.409 1.00 33.52 C ATOM 625 NE ARG A 41 6.830 -11.999 3.546 1.00 62.53 N ATOM 626 CZ ARG A 41 7.464 -12.658 2.615 1.00 43.11 C ATOM 627 NH1 ARG A 41 7.654 -12.130 1.446 1.00 24.35 N ATOM 628 NH2 ARG A 41 7.895 -13.850 2.849 1.00 22.44 N ATOM 0 H ARG A 41 6.530 -7.959 2.814 1.00 13.41 H new ATOM 0 HA ARG A 41 4.236 -9.044 1.387 1.00 65.31 H new ATOM 0 HB2 ARG A 41 4.872 -8.469 4.303 1.00 15.44 H new ATOM 0 HB3 ARG A 41 3.299 -9.035 3.776 1.00 15.44 H new ATOM 0 HG2 ARG A 41 4.593 -10.918 4.590 1.00 34.53 H new ATOM 0 HG3 ARG A 41 4.341 -11.100 2.865 1.00 34.53 H new ATOM 0 HD2 ARG A 41 6.621 -10.248 2.418 1.00 33.52 H new ATOM 0 HD3 ARG A 41 6.878 -9.990 4.132 1.00 33.52 H new ATOM 0 HE ARG A 41 6.649 -12.478 4.428 1.00 62.53 H new ATOM 0 HH11 ARG A 41 7.307 -11.192 1.248 1.00 24.35 H new ATOM 0 HH12 ARG A 41 8.151 -12.653 0.725 1.00 24.35 H new ATOM 0 HH21 ARG A 41 7.740 -14.278 3.762 1.00 22.44 H new ATOM 0 HH22 ARG A 41 8.391 -14.365 2.121 1.00 22.44 H new ATOM 642 N HIS A 42 2.454 -7.160 2.437 1.00 42.01 N ATOM 643 CA HIS A 42 1.562 -5.993 2.365 1.00 44.35 C ATOM 644 C HIS A 42 0.853 -5.715 3.704 1.00 60.24 C ATOM 645 O HIS A 42 0.842 -4.581 4.185 1.00 22.12 O ATOM 646 CB HIS A 42 0.527 -6.195 1.253 1.00 12.03 C ATOM 647 CG HIS A 42 1.151 -6.428 -0.091 1.00 42.45 C ATOM 648 ND1 HIS A 42 1.116 -7.638 -0.746 1.00 72.22 N ATOM 649 CD2 HIS A 42 1.856 -5.596 -0.891 1.00 23.33 C ATOM 650 CE1 HIS A 42 1.770 -7.542 -1.884 1.00 5.25 C ATOM 651 NE2 HIS A 42 2.231 -6.313 -1.999 1.00 51.43 N ATOM 0 H HIS A 42 2.006 -8.014 2.769 1.00 42.01 H new ATOM 0 HA HIS A 42 2.180 -5.123 2.140 1.00 44.35 H new ATOM 0 HB2 HIS A 42 -0.108 -7.044 1.505 1.00 12.03 H new ATOM 0 HB3 HIS A 42 -0.119 -5.318 1.201 1.00 12.03 H new ATOM 0 HD1 HIS A 42 0.654 -8.480 -0.402 1.00 72.22 H new ATOM 0 HD2 HIS A 42 2.082 -4.558 -0.694 1.00 23.33 H new ATOM 0 HE1 HIS A 42 1.906 -8.337 -2.603 1.00 5.25 H new ATOM 660 N GLN A 43 0.266 -6.750 4.300 1.00 24.44 N ATOM 661 CA GLN A 43 -0.478 -6.603 5.564 1.00 25.10 C ATOM 662 C GLN A 43 0.417 -6.054 6.693 1.00 54.31 C ATOM 663 O GLN A 43 -0.032 -5.262 7.527 1.00 11.54 O ATOM 664 CB GLN A 43 -1.100 -7.945 5.974 1.00 4.52 C ATOM 665 CG GLN A 43 -2.021 -8.537 4.911 1.00 2.41 C ATOM 666 CD GLN A 43 -2.701 -9.816 5.366 1.00 1.53 C ATOM 667 OE1 GLN A 43 -3.793 -9.787 5.927 1.00 53.53 O ATOM 668 NE2 GLN A 43 -2.059 -10.943 5.144 1.00 1.41 N ATOM 0 H GLN A 43 0.287 -7.702 3.934 1.00 24.44 H new ATOM 0 HA GLN A 43 -1.275 -5.879 5.398 1.00 25.10 H new ATOM 0 HB2 GLN A 43 -0.302 -8.656 6.189 1.00 4.52 H new ATOM 0 HB3 GLN A 43 -1.663 -7.809 6.897 1.00 4.52 H new ATOM 0 HG2 GLN A 43 -2.781 -7.802 4.645 1.00 2.41 H new ATOM 0 HG3 GLN A 43 -1.444 -8.739 4.009 1.00 2.41 H new ATOM 0 HE21 GLN A 43 -1.153 -10.930 4.675 1.00 1.41 H new ATOM 0 HE22 GLN A 43 -2.467 -11.829 5.441 1.00 1.41 H new ATOM 677 N VAL A 44 1.684 -6.472 6.712 1.00 14.54 N ATOM 678 CA VAL A 44 2.655 -5.956 7.687 1.00 15.53 C ATOM 679 C VAL A 44 2.830 -4.431 7.549 1.00 40.00 C ATOM 680 O VAL A 44 2.906 -3.711 8.546 1.00 43.14 O ATOM 681 CB VAL A 44 4.035 -6.656 7.547 1.00 71.31 C ATOM 682 CG1 VAL A 44 4.641 -6.421 6.164 1.00 74.10 C ATOM 683 CG2 VAL A 44 4.991 -6.198 8.648 1.00 61.34 C ATOM 0 H VAL A 44 2.064 -7.164 6.067 1.00 14.54 H new ATOM 0 HA VAL A 44 2.255 -6.176 8.677 1.00 15.53 H new ATOM 0 HB VAL A 44 3.876 -7.729 7.659 1.00 71.31 H new ATOM 0 HG11 VAL A 44 5.606 -6.924 6.099 1.00 74.10 H new ATOM 0 HG12 VAL A 44 3.972 -6.820 5.401 1.00 74.10 H new ATOM 0 HG13 VAL A 44 4.778 -5.352 6.004 1.00 74.10 H new ATOM 0 HG21 VAL A 44 5.950 -6.701 8.529 1.00 61.34 H new ATOM 0 HG22 VAL A 44 5.136 -5.120 8.579 1.00 61.34 H new ATOM 0 HG23 VAL A 44 4.569 -6.446 9.622 1.00 61.34 H new ATOM 693 N ILE A 45 2.872 -3.949 6.304 1.00 63.44 N ATOM 694 CA ILE A 45 2.962 -2.513 6.026 1.00 43.42 C ATOM 695 C ILE A 45 1.700 -1.795 6.517 1.00 12.20 C ATOM 696 O ILE A 45 1.772 -0.736 7.139 1.00 22.02 O ATOM 697 CB ILE A 45 3.140 -2.240 4.511 1.00 21.43 C ATOM 698 CG1 ILE A 45 4.353 -3.011 3.963 1.00 51.33 C ATOM 699 CG2 ILE A 45 3.287 -0.739 4.243 1.00 2.12 C ATOM 700 CD1 ILE A 45 4.569 -2.832 2.476 1.00 22.42 C ATOM 0 H ILE A 45 2.845 -4.535 5.469 1.00 63.44 H new ATOM 0 HA ILE A 45 3.835 -2.133 6.556 1.00 43.42 H new ATOM 0 HB ILE A 45 2.247 -2.591 3.993 1.00 21.43 H new ATOM 0 HG12 ILE A 45 5.248 -2.685 4.493 1.00 51.33 H new ATOM 0 HG13 ILE A 45 4.224 -4.072 4.177 1.00 51.33 H new ATOM 0 HG21 ILE A 45 3.411 -0.571 3.173 1.00 2.12 H new ATOM 0 HG22 ILE A 45 2.395 -0.218 4.591 1.00 2.12 H new ATOM 0 HG23 ILE A 45 4.160 -0.358 4.773 1.00 2.12 H new ATOM 0 HD11 ILE A 45 5.442 -3.405 2.164 1.00 22.42 H new ATOM 0 HD12 ILE A 45 3.691 -3.185 1.936 1.00 22.42 H new ATOM 0 HD13 ILE A 45 4.730 -1.777 2.256 1.00 22.42 H new ATOM 712 N ARG A 46 0.542 -2.401 6.247 1.00 33.41 N ATOM 713 CA ARG A 46 -0.745 -1.866 6.704 1.00 41.21 C ATOM 714 C ARG A 46 -0.739 -1.673 8.235 1.00 51.23 C ATOM 715 O ARG A 46 -1.286 -0.703 8.756 1.00 63.33 O ATOM 716 CB ARG A 46 -1.880 -2.815 6.269 1.00 63.14 C ATOM 717 CG ARG A 46 -3.274 -2.183 6.240 1.00 44.24 C ATOM 718 CD ARG A 46 -3.926 -2.103 7.620 1.00 73.12 C ATOM 719 NE ARG A 46 -5.187 -1.365 7.572 1.00 42.14 N ATOM 720 CZ ARG A 46 -6.214 -1.589 8.347 1.00 5.33 C ATOM 721 NH1 ARG A 46 -6.194 -2.539 9.229 1.00 42.33 N ATOM 722 NH2 ARG A 46 -7.275 -0.864 8.226 1.00 74.33 N ATOM 0 H ARG A 46 0.468 -3.266 5.712 1.00 33.41 H new ATOM 0 HA ARG A 46 -0.911 -0.890 6.249 1.00 41.21 H new ATOM 0 HB2 ARG A 46 -1.651 -3.200 5.275 1.00 63.14 H new ATOM 0 HB3 ARG A 46 -1.899 -3.669 6.945 1.00 63.14 H new ATOM 0 HG2 ARG A 46 -3.203 -1.180 5.820 1.00 44.24 H new ATOM 0 HG3 ARG A 46 -3.915 -2.762 5.575 1.00 44.24 H new ATOM 0 HD2 ARG A 46 -4.106 -3.109 7.998 1.00 73.12 H new ATOM 0 HD3 ARG A 46 -3.245 -1.617 8.318 1.00 73.12 H new ATOM 0 HE ARG A 46 -5.271 -0.619 6.881 1.00 42.14 H new ATOM 0 HH11 ARG A 46 -5.366 -3.127 9.327 1.00 42.33 H new ATOM 0 HH12 ARG A 46 -7.006 -2.698 9.825 1.00 42.33 H new ATOM 0 HH21 ARG A 46 -7.308 -0.121 7.528 1.00 74.33 H new ATOM 0 HH22 ARG A 46 -8.080 -1.034 8.828 1.00 74.33 H new ATOM 736 N ALA A 47 -0.098 -2.598 8.943 1.00 22.03 N ATOM 737 CA ALA A 47 0.062 -2.491 10.397 1.00 71.53 C ATOM 738 C ALA A 47 1.122 -1.440 10.774 1.00 24.35 C ATOM 739 O ALA A 47 0.964 -0.697 11.747 1.00 73.21 O ATOM 740 CB ALA A 47 0.431 -3.849 10.980 1.00 4.12 C ATOM 0 H ALA A 47 0.322 -3.434 8.536 1.00 22.03 H new ATOM 0 HA ALA A 47 -0.889 -2.165 10.818 1.00 71.53 H new ATOM 0 HB1 ALA A 47 0.548 -3.762 12.060 1.00 4.12 H new ATOM 0 HB2 ALA A 47 -0.358 -4.567 10.758 1.00 4.12 H new ATOM 0 HB3 ALA A 47 1.368 -4.191 10.540 1.00 4.12 H new ATOM 746 N TYR A 48 2.200 -1.382 9.994 1.00 65.43 N ATOM 747 CA TYR A 48 3.310 -0.456 10.252 1.00 53.11 C ATOM 748 C TYR A 48 2.881 1.016 10.092 1.00 52.22 C ATOM 749 O TYR A 48 3.243 1.875 10.905 1.00 55.45 O ATOM 750 CB TYR A 48 4.477 -0.770 9.300 1.00 62.31 C ATOM 751 CG TYR A 48 5.738 0.041 9.558 1.00 42.21 C ATOM 752 CD1 TYR A 48 6.705 -0.404 10.454 1.00 1.14 C ATOM 753 CD2 TYR A 48 5.966 1.244 8.897 1.00 63.41 C ATOM 754 CE1 TYR A 48 7.858 0.324 10.684 1.00 31.30 C ATOM 755 CE2 TYR A 48 7.117 1.978 9.125 1.00 73.20 C ATOM 756 CZ TYR A 48 8.059 1.514 10.017 1.00 64.13 C ATOM 757 OH TYR A 48 9.214 2.236 10.240 1.00 74.32 O ATOM 0 H TYR A 48 2.332 -1.969 9.171 1.00 65.43 H new ATOM 0 HA TYR A 48 3.627 -0.594 11.286 1.00 53.11 H new ATOM 0 HB2 TYR A 48 4.719 -1.830 9.380 1.00 62.31 H new ATOM 0 HB3 TYR A 48 4.150 -0.594 8.275 1.00 62.31 H new ATOM 0 HD1 TYR A 48 6.552 -1.335 10.980 1.00 1.14 H new ATOM 0 HD2 TYR A 48 5.233 1.611 8.194 1.00 63.41 H new ATOM 0 HE1 TYR A 48 8.598 -0.038 11.383 1.00 31.30 H new ATOM 0 HE2 TYR A 48 7.276 2.911 8.605 1.00 73.20 H new ATOM 0 HH TYR A 48 9.203 3.049 9.693 1.00 74.32 H new ATOM 767 N VAL A 49 2.110 1.306 9.043 1.00 62.12 N ATOM 768 CA VAL A 49 1.676 2.681 8.763 1.00 41.55 C ATOM 769 C VAL A 49 0.772 3.242 9.874 1.00 52.54 C ATOM 770 O VAL A 49 0.920 4.397 10.278 1.00 13.33 O ATOM 771 CB VAL A 49 0.956 2.797 7.392 1.00 4.33 C ATOM 772 CG1 VAL A 49 1.909 2.440 6.250 1.00 21.30 C ATOM 773 CG2 VAL A 49 -0.300 1.923 7.347 1.00 63.41 C ATOM 0 H VAL A 49 1.773 0.613 8.375 1.00 62.12 H new ATOM 0 HA VAL A 49 2.586 3.279 8.727 1.00 41.55 H new ATOM 0 HB VAL A 49 0.642 3.833 7.266 1.00 4.33 H new ATOM 0 HG11 VAL A 49 1.385 2.528 5.298 1.00 21.30 H new ATOM 0 HG12 VAL A 49 2.760 3.121 6.260 1.00 21.30 H new ATOM 0 HG13 VAL A 49 2.262 1.417 6.377 1.00 21.30 H new ATOM 0 HG21 VAL A 49 -0.781 2.027 6.374 1.00 63.41 H new ATOM 0 HG22 VAL A 49 -0.024 0.881 7.506 1.00 63.41 H new ATOM 0 HG23 VAL A 49 -0.991 2.238 8.129 1.00 63.41 H new ATOM 783 N MET A 50 -0.141 2.416 10.383 1.00 21.11 N ATOM 784 CA MET A 50 -1.040 2.834 11.466 1.00 3.52 C ATOM 785 C MET A 50 -0.260 3.125 12.758 1.00 44.44 C ATOM 786 O MET A 50 -0.749 3.815 13.654 1.00 22.34 O ATOM 787 CB MET A 50 -2.099 1.755 11.728 1.00 50.32 C ATOM 788 CG MET A 50 -2.952 1.419 10.509 1.00 15.11 C ATOM 789 SD MET A 50 -4.322 0.304 10.887 1.00 11.13 S ATOM 790 CE MET A 50 -3.441 -1.139 11.481 1.00 70.32 C ATOM 0 H MET A 50 -0.280 1.456 10.067 1.00 21.11 H new ATOM 0 HA MET A 50 -1.534 3.753 11.151 1.00 3.52 H new ATOM 0 HB2 MET A 50 -1.602 0.848 12.073 1.00 50.32 H new ATOM 0 HB3 MET A 50 -2.751 2.088 12.535 1.00 50.32 H new ATOM 0 HG2 MET A 50 -3.349 2.342 10.085 1.00 15.11 H new ATOM 0 HG3 MET A 50 -2.321 0.964 9.746 1.00 15.11 H new ATOM 0 HE1 MET A 50 -4.157 -1.909 11.770 1.00 70.32 H new ATOM 0 HE2 MET A 50 -2.796 -1.522 10.691 1.00 70.32 H new ATOM 0 HE3 MET A 50 -2.834 -0.865 12.344 1.00 70.32 H new ATOM 800 N SER A 51 0.957 2.595 12.839 1.00 44.54 N ATOM 801 CA SER A 51 1.806 2.754 14.024 1.00 33.34 C ATOM 802 C SER A 51 2.716 3.992 13.937 1.00 53.15 C ATOM 803 O SER A 51 2.858 4.734 14.906 1.00 24.55 O ATOM 804 CB SER A 51 2.668 1.500 14.212 1.00 1.20 C ATOM 805 OG SER A 51 3.572 1.647 15.291 1.00 1.42 O ATOM 0 H SER A 51 1.384 2.046 12.093 1.00 44.54 H new ATOM 0 HA SER A 51 1.144 2.894 14.879 1.00 33.34 H new ATOM 0 HB2 SER A 51 2.024 0.639 14.390 1.00 1.20 H new ATOM 0 HB3 SER A 51 3.223 1.299 13.296 1.00 1.20 H new ATOM 0 HG SER A 51 4.105 0.830 15.385 1.00 1.42 H new ATOM 811 N ASN A 52 3.320 4.216 12.767 1.00 51.04 N ATOM 812 CA ASN A 52 4.358 5.256 12.614 1.00 32.44 C ATOM 813 C ASN A 52 3.849 6.546 11.941 1.00 40.31 C ATOM 814 O ASN A 52 4.302 7.642 12.270 1.00 44.24 O ATOM 815 CB ASN A 52 5.535 4.690 11.811 1.00 3.13 C ATOM 816 CG ASN A 52 6.253 3.578 12.551 1.00 42.43 C ATOM 817 OD1 ASN A 52 7.225 3.813 13.256 1.00 64.21 O ATOM 818 ND2 ASN A 52 5.773 2.358 12.406 1.00 33.23 N ATOM 0 H ASN A 52 3.114 3.698 11.913 1.00 51.04 H new ATOM 0 HA ASN A 52 4.670 5.534 13.621 1.00 32.44 H new ATOM 0 HB2 ASN A 52 5.172 4.312 10.855 1.00 3.13 H new ATOM 0 HB3 ASN A 52 6.240 5.491 11.590 1.00 3.13 H new ATOM 0 HD21 ASN A 52 6.214 1.576 12.890 1.00 33.23 H new ATOM 0 HD22 ASN A 52 4.961 2.197 11.810 1.00 33.23 H new ATOM 825 N TYR A 53 2.922 6.424 10.997 1.00 63.43 N ATOM 826 CA TYR A 53 2.474 7.584 10.213 1.00 24.52 C ATOM 827 C TYR A 53 1.350 8.353 10.932 1.00 61.35 C ATOM 828 O TYR A 53 0.374 7.766 11.407 1.00 21.12 O ATOM 829 CB TYR A 53 2.037 7.136 8.811 1.00 72.44 C ATOM 830 CG TYR A 53 3.173 6.531 7.993 1.00 22.24 C ATOM 831 CD1 TYR A 53 3.761 5.326 8.370 1.00 44.15 C ATOM 832 CD2 TYR A 53 3.665 7.166 6.854 1.00 22.33 C ATOM 833 CE1 TYR A 53 4.798 4.774 7.645 1.00 62.21 C ATOM 834 CE2 TYR A 53 4.706 6.616 6.124 1.00 75.53 C ATOM 835 CZ TYR A 53 5.266 5.418 6.524 1.00 14.25 C ATOM 836 OH TYR A 53 6.301 4.862 5.802 1.00 61.21 O ATOM 0 H TYR A 53 2.466 5.545 10.753 1.00 63.43 H new ATOM 0 HA TYR A 53 3.313 8.272 10.110 1.00 24.52 H new ATOM 0 HB2 TYR A 53 1.235 6.404 8.904 1.00 72.44 H new ATOM 0 HB3 TYR A 53 1.627 7.992 8.274 1.00 72.44 H new ATOM 0 HD1 TYR A 53 3.398 4.813 9.248 1.00 44.15 H new ATOM 0 HD2 TYR A 53 3.228 8.101 6.536 1.00 22.33 H new ATOM 0 HE1 TYR A 53 5.240 3.839 7.957 1.00 62.21 H new ATOM 0 HE2 TYR A 53 5.078 7.122 5.245 1.00 75.53 H new ATOM 0 HH TYR A 53 6.514 5.438 5.039 1.00 61.21 H new ATOM 846 N THR A 54 1.512 9.673 11.025 1.00 25.52 N ATOM 847 CA THR A 54 0.581 10.527 11.785 1.00 4.52 C ATOM 848 C THR A 54 -0.754 10.777 11.059 1.00 0.21 C ATOM 849 O THR A 54 -1.818 10.435 11.576 1.00 4.11 O ATOM 850 CB THR A 54 1.225 11.894 12.150 1.00 72.15 C ATOM 851 OG1 THR A 54 0.231 12.786 12.676 1.00 55.21 O ATOM 852 CG2 THR A 54 1.907 12.538 10.945 1.00 54.34 C ATOM 0 H THR A 54 2.279 10.181 10.585 1.00 25.52 H new ATOM 0 HA THR A 54 0.365 9.967 12.695 1.00 4.52 H new ATOM 0 HB THR A 54 1.986 11.705 12.908 1.00 72.15 H new ATOM 0 HG1 THR A 54 0.648 13.643 12.904 1.00 55.21 H new ATOM 0 HG21 THR A 54 2.345 13.491 11.241 1.00 54.34 H new ATOM 0 HG22 THR A 54 2.692 11.878 10.575 1.00 54.34 H new ATOM 0 HG23 THR A 54 1.172 12.705 10.157 1.00 54.34 H new ATOM 860 N ASP A 55 -0.700 11.367 9.867 1.00 1.51 N ATOM 861 CA ASP A 55 -1.916 11.782 9.160 1.00 44.04 C ATOM 862 C ASP A 55 -2.691 10.609 8.543 1.00 20.53 C ATOM 863 O ASP A 55 -2.123 9.591 8.143 1.00 4.44 O ATOM 864 CB ASP A 55 -1.577 12.815 8.082 1.00 72.21 C ATOM 865 CG ASP A 55 -1.279 14.172 8.686 1.00 31.41 C ATOM 866 OD1 ASP A 55 -2.232 14.962 8.867 1.00 23.21 O ATOM 867 OD2 ASP A 55 -0.108 14.448 9.002 1.00 15.20 O ATOM 0 H ASP A 55 0.167 11.569 9.370 1.00 1.51 H new ATOM 0 HA ASP A 55 -2.571 12.229 9.908 1.00 44.04 H new ATOM 0 HB2 ASP A 55 -0.715 12.474 7.508 1.00 72.21 H new ATOM 0 HB3 ASP A 55 -2.410 12.901 7.385 1.00 72.21 H new ATOM 872 N HIS A 56 -4.008 10.787 8.446 1.00 55.41 N ATOM 873 CA HIS A 56 -4.895 9.766 7.889 1.00 14.42 C ATOM 874 C HIS A 56 -4.657 9.571 6.383 1.00 41.32 C ATOM 875 O HIS A 56 -4.733 8.457 5.882 1.00 0.21 O ATOM 876 CB HIS A 56 -6.360 10.131 8.160 1.00 13.40 C ATOM 877 CG HIS A 56 -6.737 10.076 9.610 1.00 12.24 C ATOM 878 ND1 HIS A 56 -7.328 8.974 10.189 1.00 74.44 N ATOM 879 CD2 HIS A 56 -6.607 10.990 10.604 1.00 31.43 C ATOM 880 CE1 HIS A 56 -7.546 9.209 11.464 1.00 35.34 C ATOM 881 NE2 HIS A 56 -7.119 10.421 11.742 1.00 72.14 N ATOM 0 H HIS A 56 -4.487 11.635 8.748 1.00 55.41 H new ATOM 0 HA HIS A 56 -4.669 8.821 8.382 1.00 14.42 H new ATOM 0 HB2 HIS A 56 -6.551 11.135 7.782 1.00 13.40 H new ATOM 0 HB3 HIS A 56 -7.004 9.452 7.600 1.00 13.40 H new ATOM 0 HD2 HIS A 56 -6.181 11.979 10.516 1.00 31.43 H new ATOM 0 HE1 HIS A 56 -7.999 8.523 12.164 1.00 35.34 H new ATOM 0 HE2 HIS A 56 -7.162 10.867 12.658 1.00 72.14 H new ATOM 890 N GLN A 57 -4.345 10.652 5.667 1.00 42.25 N ATOM 891 CA GLN A 57 -4.043 10.558 4.228 1.00 20.13 C ATOM 892 C GLN A 57 -2.653 9.947 3.972 1.00 15.44 C ATOM 893 O GLN A 57 -2.186 9.881 2.836 1.00 32.14 O ATOM 894 CB GLN A 57 -4.169 11.934 3.553 1.00 13.42 C ATOM 895 CG GLN A 57 -5.598 12.476 3.518 1.00 22.53 C ATOM 896 CD GLN A 57 -6.579 11.510 2.862 1.00 61.44 C ATOM 897 OE1 GLN A 57 -6.783 11.532 1.653 1.00 11.33 O ATOM 898 NE2 GLN A 57 -7.204 10.663 3.661 1.00 43.04 N ATOM 0 H GLN A 57 -4.294 11.596 6.050 1.00 42.25 H new ATOM 0 HA GLN A 57 -4.779 9.887 3.784 1.00 20.13 H new ATOM 0 HB2 GLN A 57 -3.533 12.646 4.079 1.00 13.42 H new ATOM 0 HB3 GLN A 57 -3.792 11.864 2.533 1.00 13.42 H new ATOM 0 HG2 GLN A 57 -5.927 12.686 4.536 1.00 22.53 H new ATOM 0 HG3 GLN A 57 -5.610 13.422 2.977 1.00 22.53 H new ATOM 0 HE21 GLN A 57 -7.012 10.670 4.663 1.00 43.04 H new ATOM 0 HE22 GLN A 57 -7.879 10.002 3.276 1.00 43.04 H new ATOM 907 N LEU A 58 -1.992 9.512 5.040 1.00 41.34 N ATOM 908 CA LEU A 58 -0.787 8.684 4.925 1.00 63.31 C ATOM 909 C LEU A 58 -1.150 7.209 5.162 1.00 54.13 C ATOM 910 O LEU A 58 -0.762 6.319 4.402 1.00 1.14 O ATOM 911 CB LEU A 58 0.277 9.134 5.937 1.00 45.40 C ATOM 912 CG LEU A 58 0.758 10.586 5.784 1.00 30.12 C ATOM 913 CD1 LEU A 58 1.759 10.940 6.881 1.00 73.55 C ATOM 914 CD2 LEU A 58 1.369 10.809 4.401 1.00 43.41 C ATOM 0 H LEU A 58 -2.268 9.718 6.000 1.00 41.34 H new ATOM 0 HA LEU A 58 -0.376 8.799 3.922 1.00 63.31 H new ATOM 0 HB2 LEU A 58 -0.124 9.006 6.942 1.00 45.40 H new ATOM 0 HB3 LEU A 58 1.139 8.472 5.851 1.00 45.40 H new ATOM 0 HG LEU A 58 -0.105 11.244 5.885 1.00 30.12 H new ATOM 0 HD11 LEU A 58 2.087 11.972 6.755 1.00 73.55 H new ATOM 0 HD12 LEU A 58 1.285 10.827 7.856 1.00 73.55 H new ATOM 0 HD13 LEU A 58 2.620 10.275 6.816 1.00 73.55 H new ATOM 0 HD21 LEU A 58 1.703 11.843 4.313 1.00 43.41 H new ATOM 0 HD22 LEU A 58 2.219 10.140 4.267 1.00 43.41 H new ATOM 0 HD23 LEU A 58 0.621 10.603 3.635 1.00 43.41 H new ATOM 926 N ILE A 59 -1.922 6.975 6.220 1.00 65.11 N ATOM 927 CA ILE A 59 -2.384 5.629 6.583 1.00 70.33 C ATOM 928 C ILE A 59 -3.491 5.126 5.634 1.00 63.40 C ATOM 929 O ILE A 59 -3.329 4.114 4.953 1.00 71.41 O ATOM 930 CB ILE A 59 -2.921 5.612 8.035 1.00 14.43 C ATOM 931 CG1 ILE A 59 -1.849 6.120 9.016 1.00 53.50 C ATOM 932 CG2 ILE A 59 -3.384 4.209 8.419 1.00 31.21 C ATOM 933 CD1 ILE A 59 -2.331 6.224 10.451 1.00 50.11 C ATOM 0 H ILE A 59 -2.247 7.708 6.851 1.00 65.11 H new ATOM 0 HA ILE A 59 -1.524 4.965 6.497 1.00 70.33 H new ATOM 0 HB ILE A 59 -3.779 6.282 8.092 1.00 14.43 H new ATOM 0 HG12 ILE A 59 -0.990 5.450 8.979 1.00 53.50 H new ATOM 0 HG13 ILE A 59 -1.504 7.100 8.687 1.00 53.50 H new ATOM 0 HG21 ILE A 59 -3.758 4.217 9.443 1.00 31.21 H new ATOM 0 HG22 ILE A 59 -4.179 3.891 7.745 1.00 31.21 H new ATOM 0 HG23 ILE A 59 -2.546 3.516 8.344 1.00 31.21 H new ATOM 0 HD11 ILE A 59 -1.520 6.588 11.082 1.00 50.11 H new ATOM 0 HD12 ILE A 59 -3.171 6.917 10.503 1.00 50.11 H new ATOM 0 HD13 ILE A 59 -2.649 5.242 10.800 1.00 50.11 H new ATOM 945 N GLU A 60 -4.614 5.844 5.601 1.00 54.12 N ATOM 946 CA GLU A 60 -5.770 5.466 4.773 1.00 43.01 C ATOM 947 C GLU A 60 -5.399 5.326 3.287 1.00 14.12 C ATOM 948 O GLU A 60 -5.960 4.487 2.581 1.00 40.13 O ATOM 949 CB GLU A 60 -6.900 6.492 4.943 1.00 33.14 C ATOM 950 CG GLU A 60 -8.153 6.175 4.133 1.00 2.31 C ATOM 951 CD GLU A 60 -9.293 7.141 4.411 1.00 14.41 C ATOM 952 OE1 GLU A 60 -9.209 8.309 3.967 1.00 73.03 O ATOM 953 OE2 GLU A 60 -10.267 6.741 5.087 1.00 25.12 O ATOM 0 H GLU A 60 -4.752 6.698 6.141 1.00 54.12 H new ATOM 0 HA GLU A 60 -6.111 4.489 5.116 1.00 43.01 H new ATOM 0 HB2 GLU A 60 -7.167 6.551 5.998 1.00 33.14 H new ATOM 0 HB3 GLU A 60 -6.531 7.475 4.652 1.00 33.14 H new ATOM 0 HG2 GLU A 60 -7.910 6.202 3.071 1.00 2.31 H new ATOM 0 HG3 GLU A 60 -8.479 5.160 4.359 1.00 2.31 H new ATOM 960 N THR A 61 -4.465 6.150 2.811 1.00 41.14 N ATOM 961 CA THR A 61 -3.962 6.031 1.434 1.00 75.31 C ATOM 962 C THR A 61 -3.276 4.678 1.221 1.00 32.31 C ATOM 963 O THR A 61 -3.492 4.011 0.205 1.00 51.21 O ATOM 964 CB THR A 61 -2.971 7.170 1.084 1.00 63.00 C ATOM 965 OG1 THR A 61 -3.637 8.434 1.184 1.00 54.22 O ATOM 966 CG2 THR A 61 -2.399 7.005 -0.323 1.00 35.52 C ATOM 0 H THR A 61 -4.041 6.904 3.351 1.00 41.14 H new ATOM 0 HA THR A 61 -4.825 6.109 0.773 1.00 75.31 H new ATOM 0 HB THR A 61 -2.144 7.125 1.792 1.00 63.00 H new ATOM 0 HG1 THR A 61 -3.027 9.095 1.573 1.00 54.22 H new ATOM 0 HG21 THR A 61 -1.708 7.822 -0.533 1.00 35.52 H new ATOM 0 HG22 THR A 61 -1.869 6.055 -0.391 1.00 35.52 H new ATOM 0 HG23 THR A 61 -3.211 7.020 -1.050 1.00 35.52 H new ATOM 974 N THR A 62 -2.457 4.272 2.193 1.00 43.22 N ATOM 975 CA THR A 62 -1.817 2.950 2.165 1.00 30.42 C ATOM 976 C THR A 62 -2.874 1.838 2.220 1.00 5.53 C ATOM 977 O THR A 62 -2.834 0.889 1.436 1.00 0.31 O ATOM 978 CB THR A 62 -0.825 2.764 3.343 1.00 44.35 C ATOM 979 OG1 THR A 62 0.209 3.761 3.281 1.00 44.44 O ATOM 980 CG2 THR A 62 -0.190 1.371 3.328 1.00 61.54 C ATOM 0 H THR A 62 -2.220 4.836 3.009 1.00 43.22 H new ATOM 0 HA THR A 62 -1.260 2.886 1.230 1.00 30.42 H new ATOM 0 HB THR A 62 -1.389 2.874 4.269 1.00 44.35 H new ATOM 0 HG1 THR A 62 -0.126 4.603 3.653 1.00 44.44 H new ATOM 0 HG21 THR A 62 0.499 1.276 4.167 1.00 61.54 H new ATOM 0 HG22 THR A 62 -0.970 0.615 3.412 1.00 61.54 H new ATOM 0 HG23 THR A 62 0.354 1.229 2.394 1.00 61.54 H new ATOM 988 N ASN A 63 -3.830 1.977 3.141 1.00 3.21 N ATOM 989 CA ASN A 63 -4.947 1.034 3.255 1.00 0.21 C ATOM 990 C ASN A 63 -5.706 0.910 1.923 1.00 32.21 C ATOM 991 O ASN A 63 -6.004 -0.192 1.463 1.00 33.01 O ATOM 992 CB ASN A 63 -5.921 1.482 4.353 1.00 1.24 C ATOM 993 CG ASN A 63 -5.285 1.549 5.733 1.00 5.05 C ATOM 994 OD1 ASN A 63 -4.327 0.850 6.025 1.00 54.43 O ATOM 995 ND2 ASN A 63 -5.838 2.372 6.603 1.00 4.31 N ATOM 0 H ASN A 63 -3.854 2.736 3.822 1.00 3.21 H new ATOM 0 HA ASN A 63 -4.530 0.061 3.515 1.00 0.21 H new ATOM 0 HB2 ASN A 63 -6.320 2.464 4.097 1.00 1.24 H new ATOM 0 HB3 ASN A 63 -6.765 0.793 4.383 1.00 1.24 H new ATOM 0 HD21 ASN A 63 -5.466 2.438 7.551 1.00 4.31 H new ATOM 0 HD22 ASN A 63 -6.637 2.943 6.328 1.00 4.31 H new ATOM 1002 N ARG A 64 -6.009 2.055 1.310 1.00 70.02 N ATOM 1003 CA ARG A 64 -6.704 2.090 0.021 1.00 33.41 C ATOM 1004 C ARG A 64 -5.874 1.391 -1.062 1.00 73.45 C ATOM 1005 O ARG A 64 -6.399 0.608 -1.852 1.00 34.10 O ATOM 1006 CB ARG A 64 -6.979 3.541 -0.411 1.00 63.03 C ATOM 1007 CG ARG A 64 -7.885 3.653 -1.642 1.00 44.32 C ATOM 1008 CD ARG A 64 -7.426 4.743 -2.610 1.00 53.52 C ATOM 1009 NE ARG A 64 -7.412 6.075 -2.007 1.00 32.53 N ATOM 1010 CZ ARG A 64 -6.898 7.127 -2.584 1.00 61.04 C ATOM 1011 NH1 ARG A 64 -6.359 7.037 -3.757 1.00 52.34 N ATOM 1012 NH2 ARG A 64 -6.922 8.274 -1.991 1.00 70.01 N ATOM 0 H ARG A 64 -5.783 2.975 1.687 1.00 70.02 H new ATOM 0 HA ARG A 64 -7.652 1.566 0.142 1.00 33.41 H new ATOM 0 HB2 ARG A 64 -7.439 4.077 0.419 1.00 63.03 H new ATOM 0 HB3 ARG A 64 -6.030 4.034 -0.622 1.00 63.03 H new ATOM 0 HG2 ARG A 64 -7.906 2.695 -2.162 1.00 44.32 H new ATOM 0 HG3 ARG A 64 -8.905 3.863 -1.320 1.00 44.32 H new ATOM 0 HD2 ARG A 64 -6.426 4.503 -2.970 1.00 53.52 H new ATOM 0 HD3 ARG A 64 -8.085 4.750 -3.479 1.00 53.52 H new ATOM 0 HE ARG A 64 -7.828 6.189 -1.083 1.00 32.53 H new ATOM 0 HH11 ARG A 64 -6.333 6.138 -4.239 1.00 52.34 H new ATOM 0 HH12 ARG A 64 -5.960 7.865 -4.200 1.00 52.34 H new ATOM 0 HH21 ARG A 64 -7.344 8.361 -1.067 1.00 70.01 H new ATOM 0 HH22 ARG A 64 -6.519 9.092 -2.447 1.00 70.01 H new ATOM 1026 N ALA A 65 -4.575 1.688 -1.092 1.00 4.55 N ATOM 1027 CA ALA A 65 -3.658 1.071 -2.053 1.00 43.23 C ATOM 1028 C ALA A 65 -3.646 -0.458 -1.910 1.00 12.15 C ATOM 1029 O ALA A 65 -3.656 -1.182 -2.904 1.00 64.01 O ATOM 1030 CB ALA A 65 -2.253 1.639 -1.881 1.00 1.42 C ATOM 0 H ALA A 65 -4.132 2.354 -0.460 1.00 4.55 H new ATOM 0 HA ALA A 65 -4.011 1.306 -3.057 1.00 43.23 H new ATOM 0 HB1 ALA A 65 -1.581 1.172 -2.601 1.00 1.42 H new ATOM 0 HB2 ALA A 65 -2.273 2.716 -2.048 1.00 1.42 H new ATOM 0 HB3 ALA A 65 -1.900 1.435 -0.870 1.00 1.42 H new ATOM 1036 N ILE A 66 -3.633 -0.941 -0.667 1.00 64.41 N ATOM 1037 CA ILE A 66 -3.706 -2.379 -0.394 1.00 50.44 C ATOM 1038 C ILE A 66 -5.042 -2.965 -0.879 1.00 0.34 C ATOM 1039 O ILE A 66 -5.066 -3.979 -1.580 1.00 12.40 O ATOM 1040 CB ILE A 66 -3.535 -2.679 1.120 1.00 25.34 C ATOM 1041 CG1 ILE A 66 -2.175 -2.171 1.628 1.00 20.50 C ATOM 1042 CG2 ILE A 66 -3.687 -4.175 1.403 1.00 22.21 C ATOM 1043 CD1 ILE A 66 -0.980 -2.824 0.959 1.00 30.31 C ATOM 0 H ILE A 66 -3.573 -0.358 0.168 1.00 64.41 H new ATOM 0 HA ILE A 66 -2.888 -2.849 -0.940 1.00 50.44 H new ATOM 0 HB ILE A 66 -4.322 -2.149 1.656 1.00 25.34 H new ATOM 0 HG12 ILE A 66 -2.121 -1.093 1.473 1.00 20.50 H new ATOM 0 HG13 ILE A 66 -2.114 -2.342 2.703 1.00 20.50 H new ATOM 0 HG21 ILE A 66 -3.563 -4.358 2.470 1.00 22.21 H new ATOM 0 HG22 ILE A 66 -4.678 -4.505 1.091 1.00 22.21 H new ATOM 0 HG23 ILE A 66 -2.929 -4.729 0.849 1.00 22.21 H new ATOM 0 HD11 ILE A 66 -0.060 -2.411 1.373 1.00 30.31 H new ATOM 0 HD12 ILE A 66 -1.007 -3.899 1.136 1.00 30.31 H new ATOM 0 HD13 ILE A 66 -1.013 -2.632 -0.113 1.00 30.31 H new ATOM 1055 N SER A 67 -6.148 -2.317 -0.512 1.00 53.31 N ATOM 1056 CA SER A 67 -7.492 -2.766 -0.919 1.00 64.45 C ATOM 1057 C SER A 67 -7.630 -2.843 -2.447 1.00 72.42 C ATOM 1058 O SER A 67 -8.098 -3.846 -2.983 1.00 60.14 O ATOM 1059 CB SER A 67 -8.579 -1.839 -0.348 1.00 52.05 C ATOM 1060 OG SER A 67 -8.626 -1.897 1.072 1.00 53.20 O ATOM 0 H SER A 67 -6.146 -1.477 0.067 1.00 53.31 H new ATOM 0 HA SER A 67 -7.627 -3.768 -0.513 1.00 64.45 H new ATOM 0 HB2 SER A 67 -8.386 -0.814 -0.664 1.00 52.05 H new ATOM 0 HB3 SER A 67 -9.549 -2.121 -0.756 1.00 52.05 H new ATOM 0 HG SER A 67 -7.863 -1.408 1.445 1.00 53.20 H new ATOM 1066 N LEU A 68 -7.218 -1.785 -3.145 1.00 74.32 N ATOM 1067 CA LEU A 68 -7.292 -1.752 -4.612 1.00 2.41 C ATOM 1068 C LEU A 68 -6.343 -2.783 -5.241 1.00 12.01 C ATOM 1069 O LEU A 68 -6.705 -3.464 -6.201 1.00 4.24 O ATOM 1070 CB LEU A 68 -6.968 -0.345 -5.135 1.00 52.42 C ATOM 1071 CG LEU A 68 -7.952 0.758 -4.711 1.00 54.42 C ATOM 1072 CD1 LEU A 68 -7.528 2.109 -5.281 1.00 15.34 C ATOM 1073 CD2 LEU A 68 -9.377 0.412 -5.144 1.00 12.44 C ATOM 0 H LEU A 68 -6.830 -0.941 -2.724 1.00 74.32 H new ATOM 0 HA LEU A 68 -8.311 -2.010 -4.900 1.00 2.41 H new ATOM 0 HB2 LEU A 68 -5.970 -0.069 -4.793 1.00 52.42 H new ATOM 0 HB3 LEU A 68 -6.934 -0.379 -6.224 1.00 52.42 H new ATOM 0 HG LEU A 68 -7.935 0.826 -3.623 1.00 54.42 H new ATOM 0 HD11 LEU A 68 -8.238 2.875 -4.969 1.00 15.34 H new ATOM 0 HD12 LEU A 68 -6.534 2.364 -4.913 1.00 15.34 H new ATOM 0 HD13 LEU A 68 -7.508 2.055 -6.369 1.00 15.34 H new ATOM 0 HD21 LEU A 68 -10.055 1.207 -4.833 1.00 12.44 H new ATOM 0 HD22 LEU A 68 -9.413 0.308 -6.228 1.00 12.44 H new ATOM 0 HD23 LEU A 68 -9.681 -0.526 -4.680 1.00 12.44 H new ATOM 1085 N TYR A 69 -5.133 -2.892 -4.693 1.00 10.32 N ATOM 1086 CA TYR A 69 -4.161 -3.902 -5.137 1.00 51.11 C ATOM 1087 C TYR A 69 -4.750 -5.320 -5.034 1.00 40.45 C ATOM 1088 O TYR A 69 -4.742 -6.082 -6.001 1.00 31.34 O ATOM 1089 CB TYR A 69 -2.878 -3.793 -4.297 1.00 23.04 C ATOM 1090 CG TYR A 69 -1.875 -4.909 -4.535 1.00 50.34 C ATOM 1091 CD1 TYR A 69 -1.009 -4.879 -5.624 1.00 44.04 C ATOM 1092 CD2 TYR A 69 -1.793 -5.994 -3.665 1.00 14.31 C ATOM 1093 CE1 TYR A 69 -0.095 -5.895 -5.837 1.00 41.10 C ATOM 1094 CE2 TYR A 69 -0.883 -7.008 -3.874 1.00 25.33 C ATOM 1095 CZ TYR A 69 -0.038 -6.955 -4.959 1.00 31.12 C ATOM 1096 OH TYR A 69 0.869 -7.968 -5.162 1.00 53.21 O ATOM 0 H TYR A 69 -4.798 -2.293 -3.938 1.00 10.32 H new ATOM 0 HA TYR A 69 -3.922 -3.715 -6.184 1.00 51.11 H new ATOM 0 HB2 TYR A 69 -2.398 -2.838 -4.511 1.00 23.04 H new ATOM 0 HB3 TYR A 69 -3.149 -3.784 -3.241 1.00 23.04 H new ATOM 0 HD1 TYR A 69 -1.051 -4.049 -6.314 1.00 44.04 H new ATOM 0 HD2 TYR A 69 -2.454 -6.041 -2.812 1.00 14.31 H new ATOM 0 HE1 TYR A 69 0.570 -5.858 -6.687 1.00 41.10 H new ATOM 0 HE2 TYR A 69 -0.833 -7.841 -3.189 1.00 25.33 H new ATOM 0 HH TYR A 69 0.778 -8.636 -4.451 1.00 53.21 H new ATOM 1106 N MET A 70 -5.267 -5.658 -3.853 1.00 21.40 N ATOM 1107 CA MET A 70 -5.886 -6.969 -3.618 1.00 52.35 C ATOM 1108 C MET A 70 -7.121 -7.168 -4.511 1.00 52.25 C ATOM 1109 O MET A 70 -7.264 -8.199 -5.162 1.00 15.42 O ATOM 1110 CB MET A 70 -6.273 -7.114 -2.137 1.00 72.21 C ATOM 1111 CG MET A 70 -5.092 -7.057 -1.161 1.00 61.02 C ATOM 1112 SD MET A 70 -4.314 -8.664 -0.855 1.00 64.15 S ATOM 1113 CE MET A 70 -3.584 -9.052 -2.445 1.00 14.34 C ATOM 0 H MET A 70 -5.271 -5.042 -3.040 1.00 21.40 H new ATOM 0 HA MET A 70 -5.157 -7.738 -3.874 1.00 52.35 H new ATOM 0 HB2 MET A 70 -6.978 -6.324 -1.880 1.00 72.21 H new ATOM 0 HB3 MET A 70 -6.794 -8.062 -2.002 1.00 72.21 H new ATOM 0 HG2 MET A 70 -4.342 -6.370 -1.553 1.00 61.02 H new ATOM 0 HG3 MET A 70 -5.437 -6.645 -0.213 1.00 61.02 H new ATOM 0 HE1 MET A 70 -2.663 -9.615 -2.295 1.00 14.34 H new ATOM 0 HE2 MET A 70 -4.283 -9.650 -3.030 1.00 14.34 H new ATOM 0 HE3 MET A 70 -3.362 -8.128 -2.979 1.00 14.34 H new ATOM 1123 N ALA A 71 -7.995 -6.163 -4.554 1.00 32.41 N ATOM 1124 CA ALA A 71 -9.216 -6.223 -5.369 1.00 42.12 C ATOM 1125 C ALA A 71 -8.901 -6.438 -6.856 1.00 21.25 C ATOM 1126 O ALA A 71 -9.549 -7.243 -7.530 1.00 5.44 O ATOM 1127 CB ALA A 71 -10.036 -4.950 -5.187 1.00 0.13 C ATOM 0 H ALA A 71 -7.883 -5.293 -4.033 1.00 32.41 H new ATOM 0 HA ALA A 71 -9.797 -7.079 -5.026 1.00 42.12 H new ATOM 0 HB1 ALA A 71 -10.938 -5.008 -5.796 1.00 0.13 H new ATOM 0 HB2 ALA A 71 -10.313 -4.842 -4.138 1.00 0.13 H new ATOM 0 HB3 ALA A 71 -9.444 -4.089 -5.496 1.00 0.13 H new ATOM 1133 N ASN A 72 -7.911 -5.713 -7.368 1.00 64.13 N ATOM 1134 CA ASN A 72 -7.515 -5.830 -8.775 1.00 24.44 C ATOM 1135 C ASN A 72 -6.852 -7.193 -9.048 1.00 32.33 C ATOM 1136 O ASN A 72 -7.016 -7.773 -10.124 1.00 53.00 O ATOM 1137 CB ASN A 72 -6.567 -4.685 -9.158 1.00 74.31 C ATOM 1138 CG ASN A 72 -6.362 -4.573 -10.660 1.00 71.55 C ATOM 1139 OD1 ASN A 72 -7.252 -4.887 -11.444 1.00 64.22 O ATOM 1140 ND2 ASN A 72 -5.193 -4.125 -11.076 1.00 1.13 N ATOM 0 H ASN A 72 -7.366 -5.037 -6.833 1.00 64.13 H new ATOM 0 HA ASN A 72 -8.413 -5.762 -9.390 1.00 24.44 H new ATOM 0 HB2 ASN A 72 -6.967 -3.745 -8.779 1.00 74.31 H new ATOM 0 HB3 ASN A 72 -5.603 -4.839 -8.674 1.00 74.31 H new ATOM 0 HD21 ASN A 72 -5.009 -4.031 -12.075 1.00 1.13 H new ATOM 0 HD22 ASN A 72 -4.473 -3.872 -10.399 1.00 1.13 H new ATOM 1147 N LEU A 73 -6.108 -7.695 -8.062 1.00 45.24 N ATOM 1148 CA LEU A 73 -5.488 -9.024 -8.152 1.00 25.10 C ATOM 1149 C LEU A 73 -6.554 -10.138 -8.166 1.00 52.02 C ATOM 1150 O LEU A 73 -6.475 -11.082 -8.956 1.00 42.23 O ATOM 1151 CB LEU A 73 -4.515 -9.232 -6.979 1.00 44.44 C ATOM 1152 CG LEU A 73 -3.748 -10.568 -6.980 1.00 44.20 C ATOM 1153 CD1 LEU A 73 -2.906 -10.713 -8.248 1.00 3.23 C ATOM 1154 CD2 LEU A 73 -2.876 -10.688 -5.733 1.00 65.33 C ATOM 0 H LEU A 73 -5.918 -7.203 -7.189 1.00 45.24 H new ATOM 0 HA LEU A 73 -4.935 -9.078 -9.090 1.00 25.10 H new ATOM 0 HB2 LEU A 73 -3.791 -8.418 -6.982 1.00 44.44 H new ATOM 0 HB3 LEU A 73 -5.076 -9.156 -6.047 1.00 44.44 H new ATOM 0 HG LEU A 73 -4.477 -11.378 -6.966 1.00 44.20 H new ATOM 0 HD11 LEU A 73 -2.374 -11.664 -8.225 1.00 3.23 H new ATOM 0 HD12 LEU A 73 -3.556 -10.682 -9.122 1.00 3.23 H new ATOM 0 HD13 LEU A 73 -2.186 -9.896 -8.302 1.00 3.23 H new ATOM 0 HD21 LEU A 73 -2.342 -11.638 -5.752 1.00 65.33 H new ATOM 0 HD22 LEU A 73 -2.157 -9.869 -5.711 1.00 65.33 H new ATOM 0 HD23 LEU A 73 -3.505 -10.643 -4.844 1.00 65.33 H new ATOM 1166 N GLU A 74 -7.554 -10.016 -7.294 1.00 30.30 N ATOM 1167 CA GLU A 74 -8.664 -10.973 -7.248 1.00 64.54 C ATOM 1168 C GLU A 74 -9.498 -10.912 -8.538 1.00 23.51 C ATOM 1169 O GLU A 74 -9.919 -11.945 -9.066 1.00 24.24 O ATOM 1170 CB GLU A 74 -9.547 -10.722 -6.014 1.00 32.11 C ATOM 1171 CG GLU A 74 -8.798 -10.865 -4.688 1.00 73.53 C ATOM 1172 CD GLU A 74 -7.997 -12.157 -4.604 1.00 13.13 C ATOM 1173 OE1 GLU A 74 -8.607 -13.234 -4.421 1.00 54.41 O ATOM 1174 OE2 GLU A 74 -6.757 -12.107 -4.734 1.00 61.23 O ATOM 0 H GLU A 74 -7.620 -9.264 -6.608 1.00 30.30 H new ATOM 0 HA GLU A 74 -8.243 -11.975 -7.168 1.00 64.54 H new ATOM 0 HB2 GLU A 74 -9.969 -9.719 -6.077 1.00 32.11 H new ATOM 0 HB3 GLU A 74 -10.383 -11.421 -6.027 1.00 32.11 H new ATOM 0 HG2 GLU A 74 -8.126 -10.016 -4.561 1.00 73.53 H new ATOM 0 HG3 GLU A 74 -9.513 -10.831 -3.866 1.00 73.53 H new ATOM 1181 N HIS A 75 -9.715 -9.703 -9.059 1.00 45.55 N ATOM 1182 CA HIS A 75 -10.353 -9.539 -10.371 1.00 3.02 C ATOM 1183 C HIS A 75 -9.512 -10.209 -11.470 1.00 23.24 C ATOM 1184 O HIS A 75 -10.049 -10.793 -12.404 1.00 24.14 O ATOM 1185 CB HIS A 75 -10.566 -8.054 -10.701 1.00 24.41 C ATOM 1186 CG HIS A 75 -11.744 -7.438 -10.004 1.00 4.43 C ATOM 1187 ND1 HIS A 75 -11.626 -6.503 -9.001 1.00 54.11 N ATOM 1188 CD2 HIS A 75 -13.075 -7.604 -10.198 1.00 61.22 C ATOM 1189 CE1 HIS A 75 -12.825 -6.122 -8.608 1.00 13.14 C ATOM 1190 NE2 HIS A 75 -13.721 -6.774 -9.320 1.00 4.14 N ATOM 0 H HIS A 75 -9.462 -8.829 -8.599 1.00 45.55 H new ATOM 0 HA HIS A 75 -11.328 -10.024 -10.329 1.00 3.02 H new ATOM 0 HB2 HIS A 75 -9.667 -7.500 -10.432 1.00 24.41 H new ATOM 0 HB3 HIS A 75 -10.697 -7.946 -11.778 1.00 24.41 H new ATOM 0 HD1 HIS A 75 -10.745 -6.158 -8.620 1.00 54.11 H new ATOM 0 HD2 HIS A 75 -13.540 -8.267 -10.912 1.00 61.22 H new ATOM 0 HE1 HIS A 75 -13.037 -5.399 -7.834 1.00 13.14 H new ATOM 1199 N HIS A 76 -8.188 -10.127 -11.340 1.00 52.14 N ATOM 1200 CA HIS A 76 -7.273 -10.801 -12.270 1.00 11.43 C ATOM 1201 C HIS A 76 -7.326 -12.333 -12.095 1.00 35.44 C ATOM 1202 O HIS A 76 -6.830 -13.081 -12.937 1.00 71.11 O ATOM 1203 CB HIS A 76 -5.842 -10.284 -12.065 1.00 20.00 C ATOM 1204 CG HIS A 76 -4.854 -10.792 -13.073 1.00 61.12 C ATOM 1205 ND1 HIS A 76 -4.902 -10.458 -14.408 1.00 33.43 N ATOM 1206 CD2 HIS A 76 -3.778 -11.605 -12.935 1.00 71.02 C ATOM 1207 CE1 HIS A 76 -3.906 -11.040 -15.045 1.00 44.52 C ATOM 1208 NE2 HIS A 76 -3.207 -11.740 -14.177 1.00 14.40 N ATOM 0 H HIS A 76 -7.722 -9.601 -10.601 1.00 52.14 H new ATOM 0 HA HIS A 76 -7.590 -10.573 -13.288 1.00 11.43 H new ATOM 0 HB2 HIS A 76 -5.853 -9.195 -12.101 1.00 20.00 H new ATOM 0 HB3 HIS A 76 -5.505 -10.567 -11.068 1.00 20.00 H new ATOM 0 HD2 HIS A 76 -3.434 -12.062 -12.019 1.00 71.02 H new ATOM 0 HE1 HIS A 76 -3.698 -10.957 -16.102 1.00 44.52 H new ATOM 0 HE2 HIS A 76 -2.377 -12.293 -14.391 1.00 14.40 H new ATOM 1217 N HIS A 77 -7.929 -12.788 -10.996 1.00 52.35 N ATOM 1218 CA HIS A 77 -8.119 -14.224 -10.745 1.00 1.42 C ATOM 1219 C HIS A 77 -9.440 -14.731 -11.351 1.00 62.14 C ATOM 1220 O HIS A 77 -9.430 -15.586 -12.237 1.00 41.12 O ATOM 1221 CB HIS A 77 -8.097 -14.525 -9.238 1.00 62.12 C ATOM 1222 CG HIS A 77 -6.774 -14.274 -8.581 1.00 41.00 C ATOM 1223 ND1 HIS A 77 -6.642 -13.966 -7.243 1.00 52.24 N ATOM 1224 CD2 HIS A 77 -5.513 -14.314 -9.077 1.00 1.23 C ATOM 1225 CE1 HIS A 77 -5.366 -13.829 -6.947 1.00 5.11 C ATOM 1226 NE2 HIS A 77 -4.661 -14.034 -8.039 1.00 64.53 N ATOM 0 H HIS A 77 -8.297 -12.184 -10.261 1.00 52.35 H new ATOM 0 HA HIS A 77 -7.292 -14.746 -11.226 1.00 1.42 H new ATOM 0 HB2 HIS A 77 -8.856 -13.916 -8.746 1.00 62.12 H new ATOM 0 HB3 HIS A 77 -8.375 -15.567 -9.083 1.00 62.12 H new ATOM 0 HD2 HIS A 77 -5.232 -14.526 -10.098 1.00 1.23 H new ATOM 0 HE1 HIS A 77 -4.966 -13.589 -5.973 1.00 5.11 H new ATOM 0 HE2 HIS A 77 -3.644 -13.992 -8.103 1.00 64.53 H new ATOM 1235 N HIS A 78 -10.569 -14.192 -10.866 1.00 74.20 N ATOM 1236 CA HIS A 78 -11.919 -14.632 -11.280 1.00 45.31 C ATOM 1237 C HIS A 78 -12.272 -16.038 -10.745 1.00 35.35 C ATOM 1238 O HIS A 78 -13.325 -16.231 -10.133 1.00 22.32 O ATOM 1239 CB HIS A 78 -12.088 -14.596 -12.813 1.00 22.40 C ATOM 1240 CG HIS A 78 -12.170 -13.213 -13.396 1.00 23.10 C ATOM 1241 ND1 HIS A 78 -11.304 -12.749 -14.362 1.00 23.11 N ATOM 1242 CD2 HIS A 78 -13.054 -12.209 -13.179 1.00 13.12 C ATOM 1243 CE1 HIS A 78 -11.649 -11.526 -14.713 1.00 45.21 C ATOM 1244 NE2 HIS A 78 -12.706 -11.174 -14.011 1.00 24.00 N ATOM 0 H HIS A 78 -10.577 -13.440 -10.177 1.00 74.20 H new ATOM 0 HA HIS A 78 -12.614 -13.920 -10.836 1.00 45.31 H new ATOM 0 HB2 HIS A 78 -11.250 -15.121 -13.271 1.00 22.40 H new ATOM 0 HB3 HIS A 78 -12.992 -15.144 -13.080 1.00 22.40 H new ATOM 0 HD2 HIS A 78 -13.879 -12.221 -12.482 1.00 13.12 H new ATOM 0 HE1 HIS A 78 -11.149 -10.916 -15.451 1.00 45.21 H new ATOM 0 HE2 HIS A 78 -13.188 -10.277 -14.075 1.00 24.00 H new