USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 486 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 52 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 16 THR OG1 : rot -66:sc= 0.0648 USER MOD Set 2.2: A 18 HIS : no HD1:sc= -2.21! C(o=-2.1!,f=-3.7!) USER MOD Single : A 1 GLY N :NH3+ 146:sc= 0.0191 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 44:sc= 1.19 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0392 K(o=-0.039,f=-0.85) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.0564 X(o=-0.056,f=-0.48) USER MOD Single : A 20 LYS NZ :NH3+ -157:sc= -0.269 (180deg=-1.01) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 151:sc= -0.431 (180deg=-1.56!) USER MOD Single : A 29 GLN : amide:sc= -0.581 X(o=-0.58,f=-0.58) USER MOD Single : A 30 HIS : no HD1:sc= -2.38! C(o=-2.4!,f=-3.3!) USER MOD Single : A 32 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.057) USER MOD Single : A 33 ASN : amide:sc= -0.0893 X(o=-0.089,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 144:sc= 1.17 (180deg=0.375) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 CYS SG : rot -55:sc= -0.618 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.244 K(o=-0.24,f=-5.3!) USER MOD Single : A 61 ASN : amide:sc= -0.0741 K(o=-0.074,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.801 5.694 -11.870 1.00 0.00 N ATOM 2 CA GLY A 1 -9.318 6.939 -11.329 1.00 0.00 C ATOM 3 C GLY A 1 -10.482 7.481 -12.134 1.00 0.00 C ATOM 4 O GLY A 1 -10.529 7.325 -13.353 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.772 5.652 -11.722 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.253 4.891 -11.388 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.006 5.646 -12.888 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.636 6.780 -10.299 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.520 7.681 -11.305 1.00 0.00 H new ATOM 8 N SER A 2 -11.425 8.122 -11.449 1.00 0.00 N ATOM 9 CA SER A 2 -12.598 8.684 -12.107 1.00 0.00 C ATOM 10 C SER A 2 -12.963 10.038 -11.502 1.00 0.00 C ATOM 11 O SER A 2 -12.888 10.227 -10.289 1.00 0.00 O ATOM 12 CB SER A 2 -13.783 7.724 -11.993 1.00 0.00 C ATOM 13 OG SER A 2 -14.159 7.538 -10.639 1.00 0.00 O ATOM 0 H SER A 2 -11.399 8.264 -10.439 1.00 0.00 H new ATOM 0 HA SER A 2 -12.359 8.829 -13.161 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.629 8.116 -12.558 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.521 6.763 -12.436 1.00 0.00 H new ATOM 0 HG SER A 2 -14.920 6.922 -10.592 1.00 0.00 H new ATOM 19 N SER A 3 -13.359 10.974 -12.358 1.00 0.00 N ATOM 20 CA SER A 3 -13.732 12.311 -11.910 1.00 0.00 C ATOM 21 C SER A 3 -12.583 12.971 -11.154 1.00 0.00 C ATOM 22 O SER A 3 -12.785 13.579 -10.104 1.00 0.00 O ATOM 23 CB SER A 3 -14.973 12.244 -11.018 1.00 0.00 C ATOM 24 OG SER A 3 -16.160 12.274 -11.792 1.00 0.00 O ATOM 0 H SER A 3 -13.430 10.832 -13.366 1.00 0.00 H new ATOM 0 HA SER A 3 -13.958 12.913 -12.790 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.947 11.332 -10.422 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.969 13.081 -10.320 1.00 0.00 H new ATOM 0 HG SER A 3 -16.939 12.228 -11.199 1.00 0.00 H new ATOM 30 N GLY A 4 -11.376 12.847 -11.698 1.00 0.00 N ATOM 31 CA GLY A 4 -10.212 13.436 -11.062 1.00 0.00 C ATOM 32 C GLY A 4 -9.253 12.391 -10.528 1.00 0.00 C ATOM 33 O GLY A 4 -8.899 12.409 -9.349 1.00 0.00 O ATOM 0 H GLY A 4 -11.184 12.349 -12.567 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.691 14.070 -11.780 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.535 14.080 -10.244 1.00 0.00 H new ATOM 37 N SER A 5 -8.832 11.477 -11.396 1.00 0.00 N ATOM 38 CA SER A 5 -7.911 10.415 -11.003 1.00 0.00 C ATOM 39 C SER A 5 -6.712 10.988 -10.253 1.00 0.00 C ATOM 40 O SER A 5 -5.784 11.522 -10.860 1.00 0.00 O ATOM 41 CB SER A 5 -7.436 9.642 -12.234 1.00 0.00 C ATOM 42 OG SER A 5 -6.660 10.467 -13.086 1.00 0.00 O ATOM 0 H SER A 5 -9.113 11.450 -12.376 1.00 0.00 H new ATOM 0 HA SER A 5 -8.442 9.733 -10.338 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.846 8.780 -11.921 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.297 9.257 -12.780 1.00 0.00 H new ATOM 0 HG SER A 5 -6.032 10.993 -12.548 1.00 0.00 H new ATOM 48 N SER A 6 -6.739 10.871 -8.929 1.00 0.00 N ATOM 49 CA SER A 6 -5.656 11.379 -8.095 1.00 0.00 C ATOM 50 C SER A 6 -5.440 12.870 -8.334 1.00 0.00 C ATOM 51 O SER A 6 -4.305 13.343 -8.388 1.00 0.00 O ATOM 52 CB SER A 6 -4.363 10.612 -8.378 1.00 0.00 C ATOM 53 OG SER A 6 -3.525 10.587 -7.236 1.00 0.00 O ATOM 0 H SER A 6 -7.499 10.429 -8.411 1.00 0.00 H new ATOM 0 HA SER A 6 -5.935 11.233 -7.051 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.600 9.592 -8.681 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.835 11.077 -9.210 1.00 0.00 H new ATOM 0 HG SER A 6 -2.706 10.090 -7.442 1.00 0.00 H new ATOM 59 N GLY A 7 -6.538 13.606 -8.478 1.00 0.00 N ATOM 60 CA GLY A 7 -6.448 15.035 -8.710 1.00 0.00 C ATOM 61 C GLY A 7 -6.713 15.844 -7.456 1.00 0.00 C ATOM 62 O GLY A 7 -5.978 16.782 -7.146 1.00 0.00 O ATOM 0 H GLY A 7 -7.488 13.237 -8.438 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.456 15.276 -9.091 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.164 15.321 -9.481 1.00 0.00 H new ATOM 66 N ASP A 8 -7.768 15.483 -6.733 1.00 0.00 N ATOM 67 CA ASP A 8 -8.129 16.183 -5.506 1.00 0.00 C ATOM 68 C ASP A 8 -6.974 16.166 -4.510 1.00 0.00 C ATOM 69 O ASP A 8 -6.644 17.188 -3.910 1.00 0.00 O ATOM 70 CB ASP A 8 -9.370 15.546 -4.877 1.00 0.00 C ATOM 71 CG ASP A 8 -10.559 15.544 -5.816 1.00 0.00 C ATOM 72 OD1 ASP A 8 -11.312 16.540 -5.822 1.00 0.00 O ATOM 73 OD2 ASP A 8 -10.737 14.547 -6.547 1.00 0.00 O ATOM 0 H ASP A 8 -8.388 14.710 -6.976 1.00 0.00 H new ATOM 0 HA ASP A 8 -8.350 17.220 -5.760 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -9.140 14.521 -4.585 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -9.630 16.086 -3.967 1.00 0.00 H new ATOM 78 N ARG A 9 -6.363 14.998 -4.339 1.00 0.00 N ATOM 79 CA ARG A 9 -5.246 14.848 -3.415 1.00 0.00 C ATOM 80 C ARG A 9 -3.977 14.437 -4.157 1.00 0.00 C ATOM 81 O ARG A 9 -4.040 13.918 -5.271 1.00 0.00 O ATOM 82 CB ARG A 9 -5.580 13.811 -2.341 1.00 0.00 C ATOM 83 CG ARG A 9 -5.959 12.451 -2.905 1.00 0.00 C ATOM 84 CD ARG A 9 -7.456 12.350 -3.156 1.00 0.00 C ATOM 85 NE ARG A 9 -8.177 11.868 -1.981 1.00 0.00 N ATOM 86 CZ ARG A 9 -9.502 11.803 -1.908 1.00 0.00 C ATOM 87 NH1 ARG A 9 -10.246 12.187 -2.936 1.00 0.00 N ATOM 88 NH2 ARG A 9 -10.084 11.352 -0.804 1.00 0.00 N ATOM 0 H ARG A 9 -6.623 14.142 -4.829 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.071 15.812 -2.938 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.721 13.694 -1.681 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.403 14.184 -1.731 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -5.420 12.279 -3.837 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.652 11.669 -2.210 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -7.842 13.328 -3.442 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.638 11.678 -3.994 1.00 0.00 H new ATOM 0 HE ARG A 9 -7.634 11.565 -1.173 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -9.801 12.534 -3.786 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.263 12.136 -2.877 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -9.514 11.055 -0.012 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.101 11.302 -0.748 1.00 0.00 H new ATOM 102 N GLN A 10 -2.829 14.673 -3.531 1.00 0.00 N ATOM 103 CA GLN A 10 -1.546 14.328 -4.133 1.00 0.00 C ATOM 104 C GLN A 10 -0.809 13.295 -3.288 1.00 0.00 C ATOM 105 O GLN A 10 -0.516 13.532 -2.116 1.00 0.00 O ATOM 106 CB GLN A 10 -0.683 15.580 -4.298 1.00 0.00 C ATOM 107 CG GLN A 10 -1.136 16.486 -5.432 1.00 0.00 C ATOM 108 CD GLN A 10 -0.777 15.934 -6.798 1.00 0.00 C ATOM 109 OE1 GLN A 10 0.278 15.324 -6.976 1.00 0.00 O ATOM 110 NE2 GLN A 10 -1.654 16.146 -7.772 1.00 0.00 N ATOM 0 H GLN A 10 -2.761 15.101 -2.608 1.00 0.00 H new ATOM 0 HA GLN A 10 -1.738 13.896 -5.115 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.695 16.145 -3.366 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.349 15.279 -4.475 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.216 16.624 -5.372 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -0.681 17.469 -5.310 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.516 16.657 -7.580 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.466 15.798 -8.712 1.00 0.00 H new ATOM 119 N PHE A 11 -0.511 12.149 -3.891 1.00 0.00 N ATOM 120 CA PHE A 11 0.192 11.078 -3.193 1.00 0.00 C ATOM 121 C PHE A 11 -0.232 11.012 -1.729 1.00 0.00 C ATOM 122 O PHE A 11 0.600 10.852 -0.837 1.00 0.00 O ATOM 123 CB PHE A 11 1.705 11.286 -3.288 1.00 0.00 C ATOM 124 CG PHE A 11 2.172 11.672 -4.662 1.00 0.00 C ATOM 125 CD1 PHE A 11 1.878 10.873 -5.757 1.00 0.00 C ATOM 126 CD2 PHE A 11 2.905 12.831 -4.860 1.00 0.00 C ATOM 127 CE1 PHE A 11 2.306 11.226 -7.023 1.00 0.00 C ATOM 128 CE2 PHE A 11 3.335 13.188 -6.124 1.00 0.00 C ATOM 129 CZ PHE A 11 3.036 12.384 -7.207 1.00 0.00 C ATOM 0 H PHE A 11 -0.745 11.938 -4.861 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.069 10.134 -3.671 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.002 12.061 -2.581 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.210 10.368 -2.986 1.00 0.00 H new ATOM 0 HD1 PHE A 11 1.309 9.966 -5.619 1.00 0.00 H new ATOM 0 HD2 PHE A 11 3.143 13.463 -4.017 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.070 10.596 -7.868 1.00 0.00 H new ATOM 0 HE2 PHE A 11 3.904 14.095 -6.265 1.00 0.00 H new ATOM 0 HZ PHE A 11 3.372 12.660 -8.195 1.00 0.00 H new ATOM 139 N MET A 12 -1.534 11.139 -1.490 1.00 0.00 N ATOM 140 CA MET A 12 -2.070 11.094 -0.134 1.00 0.00 C ATOM 141 C MET A 12 -2.515 9.681 0.227 1.00 0.00 C ATOM 142 O MET A 12 -3.609 9.481 0.755 1.00 0.00 O ATOM 143 CB MET A 12 -3.245 12.064 0.005 1.00 0.00 C ATOM 144 CG MET A 12 -2.821 13.516 0.149 1.00 0.00 C ATOM 145 SD MET A 12 -1.763 13.791 1.583 1.00 0.00 S ATOM 146 CE MET A 12 -1.863 15.573 1.741 1.00 0.00 C ATOM 0 H MET A 12 -2.237 11.274 -2.217 1.00 0.00 H new ATOM 0 HA MET A 12 -1.279 11.393 0.554 1.00 0.00 H new ATOM 0 HB2 MET A 12 -3.890 11.967 -0.868 1.00 0.00 H new ATOM 0 HB3 MET A 12 -3.839 11.780 0.873 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.293 13.827 -0.752 1.00 0.00 H new ATOM 0 HG3 MET A 12 -3.709 14.143 0.231 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.258 15.898 2.588 1.00 0.00 H new ATOM 0 HE2 MET A 12 -1.491 16.041 0.829 1.00 0.00 H new ATOM 0 HE3 MET A 12 -2.900 15.866 1.902 1.00 0.00 H new ATOM 156 N ASN A 13 -1.661 8.703 -0.060 1.00 0.00 N ATOM 157 CA ASN A 13 -1.968 7.309 0.234 1.00 0.00 C ATOM 158 C ASN A 13 -0.774 6.411 -0.078 1.00 0.00 C ATOM 159 O ASN A 13 -0.466 6.151 -1.241 1.00 0.00 O ATOM 160 CB ASN A 13 -3.187 6.852 -0.570 1.00 0.00 C ATOM 161 CG ASN A 13 -3.891 5.670 0.067 1.00 0.00 C ATOM 162 OD1 ASN A 13 -3.562 4.516 -0.207 1.00 0.00 O ATOM 163 ND2 ASN A 13 -4.865 5.953 0.924 1.00 0.00 N ATOM 0 H ASN A 13 -0.751 8.851 -0.496 1.00 0.00 H new ATOM 0 HA ASN A 13 -2.192 7.230 1.298 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.888 7.681 -0.664 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.873 6.584 -1.579 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -5.374 5.199 1.385 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -5.104 6.925 1.121 1.00 0.00 H new ATOM 170 N VAL A 14 -0.105 5.941 0.970 1.00 0.00 N ATOM 171 CA VAL A 14 1.054 5.071 0.810 1.00 0.00 C ATOM 172 C VAL A 14 0.760 3.939 -0.168 1.00 0.00 C ATOM 173 O VAL A 14 1.437 3.793 -1.186 1.00 0.00 O ATOM 174 CB VAL A 14 1.496 4.470 2.157 1.00 0.00 C ATOM 175 CG1 VAL A 14 2.673 3.527 1.961 1.00 0.00 C ATOM 176 CG2 VAL A 14 1.845 5.573 3.144 1.00 0.00 C ATOM 0 H VAL A 14 -0.346 6.148 1.939 1.00 0.00 H new ATOM 0 HA VAL A 14 1.861 5.688 0.415 1.00 0.00 H new ATOM 0 HB VAL A 14 0.666 3.896 2.568 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.971 3.112 2.924 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.383 2.717 1.291 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.510 4.075 1.527 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.155 5.130 4.090 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.659 6.177 2.742 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.972 6.204 3.308 1.00 0.00 H new ATOM 186 N TRP A 15 -0.253 3.141 0.147 1.00 0.00 N ATOM 187 CA TRP A 15 -0.637 2.021 -0.704 1.00 0.00 C ATOM 188 C TRP A 15 -0.751 2.458 -2.161 1.00 0.00 C ATOM 189 O TRP A 15 -1.315 3.510 -2.461 1.00 0.00 O ATOM 190 CB TRP A 15 -1.965 1.427 -0.232 1.00 0.00 C ATOM 191 CG TRP A 15 -1.807 0.417 0.864 1.00 0.00 C ATOM 192 CD1 TRP A 15 -1.782 0.662 2.207 1.00 0.00 C ATOM 193 CD2 TRP A 15 -1.650 -0.998 0.711 1.00 0.00 C ATOM 194 NE1 TRP A 15 -1.620 -0.513 2.898 1.00 0.00 N ATOM 195 CE2 TRP A 15 -1.537 -1.547 2.003 1.00 0.00 C ATOM 196 CE3 TRP A 15 -1.596 -1.854 -0.392 1.00 0.00 C ATOM 197 CZ2 TRP A 15 -1.372 -2.912 2.219 1.00 0.00 C ATOM 198 CZ3 TRP A 15 -1.433 -3.209 -0.176 1.00 0.00 C ATOM 199 CH2 TRP A 15 -1.323 -3.728 1.121 1.00 0.00 C ATOM 0 H TRP A 15 -0.824 3.248 0.986 1.00 0.00 H new ATOM 0 HA TRP A 15 0.140 1.260 -0.632 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -2.612 2.232 0.116 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -2.467 0.959 -1.079 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -1.876 1.638 2.660 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -1.570 -0.602 3.913 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -1.680 -1.464 -1.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -1.286 -3.313 3.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -1.390 -3.880 -1.021 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -1.197 -4.792 1.257 1.00 0.00 H new ATOM 210 N THR A 16 -0.212 1.644 -3.063 1.00 0.00 N ATOM 211 CA THR A 16 -0.252 1.948 -4.488 1.00 0.00 C ATOM 212 C THR A 16 -1.262 1.063 -5.210 1.00 0.00 C ATOM 213 O THR A 16 -1.363 -0.132 -4.936 1.00 0.00 O ATOM 214 CB THR A 16 1.131 1.766 -5.140 1.00 0.00 C ATOM 215 OG1 THR A 16 1.789 0.622 -4.584 1.00 0.00 O ATOM 216 CG2 THR A 16 1.993 3.003 -4.935 1.00 0.00 C ATOM 0 H THR A 16 0.258 0.769 -2.832 1.00 0.00 H new ATOM 0 HA THR A 16 -0.555 2.991 -4.581 1.00 0.00 H new ATOM 0 HB THR A 16 0.987 1.616 -6.210 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.984 0.785 -3.638 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.965 2.851 -5.404 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.504 3.866 -5.386 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.129 3.179 -3.868 1.00 0.00 H new ATOM 224 N ASP A 17 -2.008 1.659 -6.134 1.00 0.00 N ATOM 225 CA ASP A 17 -3.010 0.924 -6.897 1.00 0.00 C ATOM 226 C ASP A 17 -2.396 -0.306 -7.557 1.00 0.00 C ATOM 227 O ASP A 17 -3.109 -1.204 -8.006 1.00 0.00 O ATOM 228 CB ASP A 17 -3.637 1.829 -7.960 1.00 0.00 C ATOM 229 CG ASP A 17 -4.953 1.285 -8.480 1.00 0.00 C ATOM 230 OD1 ASP A 17 -5.905 1.168 -7.681 1.00 0.00 O ATOM 231 OD2 ASP A 17 -5.030 0.976 -9.688 1.00 0.00 O ATOM 0 H ASP A 17 -1.938 2.648 -6.372 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.787 0.594 -6.207 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.798 2.821 -7.539 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.941 1.945 -8.791 1.00 0.00 H new ATOM 236 N HIS A 18 -1.068 -0.340 -7.614 1.00 0.00 N ATOM 237 CA HIS A 18 -0.358 -1.460 -8.220 1.00 0.00 C ATOM 238 C HIS A 18 -0.060 -2.539 -7.184 1.00 0.00 C ATOM 239 O HIS A 18 0.043 -3.720 -7.516 1.00 0.00 O ATOM 240 CB HIS A 18 0.944 -0.979 -8.861 1.00 0.00 C ATOM 241 CG HIS A 18 2.109 -0.972 -7.919 1.00 0.00 C ATOM 242 ND1 HIS A 18 2.691 -2.124 -7.433 1.00 0.00 N ATOM 243 CD2 HIS A 18 2.801 0.056 -7.375 1.00 0.00 C ATOM 244 CE1 HIS A 18 3.689 -1.805 -6.629 1.00 0.00 C ATOM 245 NE2 HIS A 18 3.778 -0.488 -6.577 1.00 0.00 N ATOM 0 H HIS A 18 -0.463 0.395 -7.248 1.00 0.00 H new ATOM 0 HA HIS A 18 -0.998 -1.889 -8.992 1.00 0.00 H new ATOM 0 HB2 HIS A 18 1.179 -1.619 -9.711 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.797 0.028 -9.251 1.00 0.00 H new ATOM 0 HD2 HIS A 18 2.619 1.108 -7.538 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.324 -2.502 -6.103 1.00 0.00 H new ATOM 0 HE2 HIS A 18 4.461 0.039 -6.033 1.00 0.00 H new ATOM 253 N GLU A 19 0.078 -2.125 -5.928 1.00 0.00 N ATOM 254 CA GLU A 19 0.366 -3.057 -4.844 1.00 0.00 C ATOM 255 C GLU A 19 -0.924 -3.608 -4.243 1.00 0.00 C ATOM 256 O GLU A 19 -1.039 -4.806 -3.982 1.00 0.00 O ATOM 257 CB GLU A 19 1.195 -2.370 -3.757 1.00 0.00 C ATOM 258 CG GLU A 19 0.355 -1.737 -2.660 1.00 0.00 C ATOM 259 CD GLU A 19 1.182 -0.909 -1.696 1.00 0.00 C ATOM 260 OE1 GLU A 19 1.786 0.090 -2.138 1.00 0.00 O ATOM 261 OE2 GLU A 19 1.226 -1.262 -0.498 1.00 0.00 O ATOM 0 H GLU A 19 -0.005 -1.151 -5.636 1.00 0.00 H new ATOM 0 HA GLU A 19 0.938 -3.888 -5.256 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.870 -3.100 -3.311 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.816 -1.601 -4.217 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.410 -1.105 -3.112 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.164 -2.520 -2.107 1.00 0.00 H new ATOM 268 N LYS A 20 -1.893 -2.725 -4.026 1.00 0.00 N ATOM 269 CA LYS A 20 -3.175 -3.120 -3.456 1.00 0.00 C ATOM 270 C LYS A 20 -3.901 -4.098 -4.376 1.00 0.00 C ATOM 271 O LYS A 20 -4.542 -5.040 -3.912 1.00 0.00 O ATOM 272 CB LYS A 20 -4.050 -1.888 -3.213 1.00 0.00 C ATOM 273 CG LYS A 20 -4.500 -1.199 -4.489 1.00 0.00 C ATOM 274 CD LYS A 20 -5.820 -1.760 -4.990 1.00 0.00 C ATOM 275 CE LYS A 20 -7.004 -1.006 -4.402 1.00 0.00 C ATOM 276 NZ LYS A 20 -7.355 -1.499 -3.042 1.00 0.00 N ATOM 0 H LYS A 20 -1.814 -1.730 -4.237 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.984 -3.616 -2.504 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.929 -2.185 -2.641 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.497 -1.175 -2.601 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.603 -0.129 -4.309 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.737 -1.320 -5.258 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.853 -1.700 -6.078 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.892 -2.815 -4.727 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.770 0.057 -4.354 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.866 -1.113 -5.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.348 -1.268 -2.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.224 -2.530 -3.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.739 -1.044 -2.338 1.00 0.00 H new ATOM 290 N GLU A 21 -3.793 -3.867 -5.681 1.00 0.00 N ATOM 291 CA GLU A 21 -4.439 -4.728 -6.664 1.00 0.00 C ATOM 292 C GLU A 21 -3.979 -6.175 -6.505 1.00 0.00 C ATOM 293 O GLU A 21 -4.724 -7.109 -6.802 1.00 0.00 O ATOM 294 CB GLU A 21 -4.136 -4.238 -8.082 1.00 0.00 C ATOM 295 CG GLU A 21 -2.664 -4.320 -8.452 1.00 0.00 C ATOM 296 CD GLU A 21 -2.446 -4.445 -9.948 1.00 0.00 C ATOM 297 OE1 GLU A 21 -3.039 -3.647 -10.703 1.00 0.00 O ATOM 298 OE2 GLU A 21 -1.680 -5.341 -10.362 1.00 0.00 O ATOM 0 H GLU A 21 -3.265 -3.092 -6.081 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.515 -4.686 -6.495 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.714 -4.828 -8.793 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.470 -3.205 -8.180 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.151 -3.430 -8.087 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.214 -5.176 -7.950 1.00 0.00 H new ATOM 305 N ILE A 22 -2.749 -6.350 -6.036 1.00 0.00 N ATOM 306 CA ILE A 22 -2.190 -7.682 -5.837 1.00 0.00 C ATOM 307 C ILE A 22 -2.978 -8.458 -4.788 1.00 0.00 C ATOM 308 O ILE A 22 -3.576 -9.493 -5.084 1.00 0.00 O ATOM 309 CB ILE A 22 -0.713 -7.614 -5.407 1.00 0.00 C ATOM 310 CG1 ILE A 22 0.066 -6.671 -6.327 1.00 0.00 C ATOM 311 CG2 ILE A 22 -0.094 -9.004 -5.418 1.00 0.00 C ATOM 312 CD1 ILE A 22 -0.082 -7.000 -7.796 1.00 0.00 C ATOM 0 H ILE A 22 -2.120 -5.587 -5.787 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.258 -8.199 -6.794 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.663 -7.223 -4.391 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.272 -5.649 -6.156 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.122 -6.706 -6.060 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.950 -8.940 -5.112 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.636 -9.649 -4.726 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.152 -9.420 -6.424 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.497 -6.291 -8.388 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.283 -8.010 -7.981 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.133 -6.936 -8.079 1.00 0.00 H new ATOM 324 N PHE A 23 -2.977 -7.951 -3.560 1.00 0.00 N ATOM 325 CA PHE A 23 -3.693 -8.594 -2.465 1.00 0.00 C ATOM 326 C PHE A 23 -5.002 -9.205 -2.957 1.00 0.00 C ATOM 327 O PHE A 23 -5.234 -10.406 -2.810 1.00 0.00 O ATOM 328 CB PHE A 23 -3.975 -7.586 -1.349 1.00 0.00 C ATOM 329 CG PHE A 23 -4.345 -8.229 -0.042 1.00 0.00 C ATOM 330 CD1 PHE A 23 -5.435 -9.080 0.043 1.00 0.00 C ATOM 331 CD2 PHE A 23 -3.603 -7.979 1.101 1.00 0.00 C ATOM 332 CE1 PHE A 23 -5.778 -9.670 1.245 1.00 0.00 C ATOM 333 CE2 PHE A 23 -3.941 -8.569 2.306 1.00 0.00 C ATOM 334 CZ PHE A 23 -5.029 -9.415 2.377 1.00 0.00 C ATOM 0 H PHE A 23 -2.487 -7.095 -3.298 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.064 -9.393 -2.072 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.093 -6.962 -1.202 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.784 -6.926 -1.662 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -6.023 -9.285 -0.839 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.752 -7.316 1.051 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -6.631 -10.330 1.299 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -3.354 -8.368 3.190 1.00 0.00 H new ATOM 0 HZ PHE A 23 -5.294 -9.877 3.316 1.00 0.00 H new ATOM 344 N LYS A 24 -5.855 -8.372 -3.540 1.00 0.00 N ATOM 345 CA LYS A 24 -7.141 -8.826 -4.055 1.00 0.00 C ATOM 346 C LYS A 24 -6.974 -10.085 -4.901 1.00 0.00 C ATOM 347 O LYS A 24 -7.675 -11.076 -4.701 1.00 0.00 O ATOM 348 CB LYS A 24 -7.801 -7.724 -4.886 1.00 0.00 C ATOM 349 CG LYS A 24 -9.087 -8.161 -5.565 1.00 0.00 C ATOM 350 CD LYS A 24 -9.484 -7.204 -6.676 1.00 0.00 C ATOM 351 CE LYS A 24 -10.668 -7.734 -7.472 1.00 0.00 C ATOM 352 NZ LYS A 24 -11.967 -7.284 -6.898 1.00 0.00 N ATOM 0 H LYS A 24 -5.679 -7.376 -3.668 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.781 -9.062 -3.205 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.013 -6.871 -4.241 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.097 -7.382 -5.645 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.961 -9.163 -5.975 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.888 -8.217 -4.828 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.737 -6.234 -6.249 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.636 -7.048 -7.343 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.591 -7.397 -8.506 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.636 -8.823 -7.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.749 -7.665 -7.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.052 -7.627 -5.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.008 -6.245 -6.905 1.00 0.00 H new ATOM 366 N ASP A 25 -6.040 -10.038 -5.844 1.00 0.00 N ATOM 367 CA ASP A 25 -5.779 -11.175 -6.719 1.00 0.00 C ATOM 368 C ASP A 25 -5.230 -12.356 -5.925 1.00 0.00 C ATOM 369 O ASP A 25 -5.830 -13.431 -5.894 1.00 0.00 O ATOM 370 CB ASP A 25 -4.793 -10.783 -7.820 1.00 0.00 C ATOM 371 CG ASP A 25 -5.486 -10.208 -9.040 1.00 0.00 C ATOM 372 OD1 ASP A 25 -6.571 -9.611 -8.878 1.00 0.00 O ATOM 373 OD2 ASP A 25 -4.944 -10.354 -10.155 1.00 0.00 O ATOM 0 H ASP A 25 -5.451 -9.225 -6.022 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.722 -11.474 -7.176 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.087 -10.051 -7.428 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.214 -11.658 -8.114 1.00 0.00 H new ATOM 378 N LYS A 26 -4.084 -12.151 -5.283 1.00 0.00 N ATOM 379 CA LYS A 26 -3.453 -13.198 -4.489 1.00 0.00 C ATOM 380 C LYS A 26 -4.502 -14.061 -3.794 1.00 0.00 C ATOM 381 O LYS A 26 -4.606 -15.259 -4.055 1.00 0.00 O ATOM 382 CB LYS A 26 -2.515 -12.580 -3.449 1.00 0.00 C ATOM 383 CG LYS A 26 -1.243 -12.002 -4.045 1.00 0.00 C ATOM 384 CD LYS A 26 -0.132 -13.035 -4.102 1.00 0.00 C ATOM 385 CE LYS A 26 -0.156 -13.807 -5.412 1.00 0.00 C ATOM 386 NZ LYS A 26 -0.262 -12.901 -6.588 1.00 0.00 N ATOM 0 H LYS A 26 -3.573 -11.268 -5.298 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.875 -13.832 -5.161 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.047 -11.792 -2.915 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.249 -13.340 -2.714 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.447 -11.631 -5.049 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.917 -11.149 -3.450 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.833 -12.540 -3.988 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.235 -13.729 -3.268 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.750 -14.407 -5.496 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.998 -14.499 -5.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.197 -13.343 -7.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.265 -12.728 -6.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.207 -11.998 -6.374 1.00 0.00 H new ATOM 400 N PHE A 27 -5.278 -13.443 -2.910 1.00 0.00 N ATOM 401 CA PHE A 27 -6.319 -14.155 -2.178 1.00 0.00 C ATOM 402 C PHE A 27 -7.030 -15.158 -3.082 1.00 0.00 C ATOM 403 O PHE A 27 -7.289 -16.295 -2.683 1.00 0.00 O ATOM 404 CB PHE A 27 -7.333 -13.165 -1.599 1.00 0.00 C ATOM 405 CG PHE A 27 -8.351 -13.807 -0.700 1.00 0.00 C ATOM 406 CD1 PHE A 27 -9.474 -14.422 -1.230 1.00 0.00 C ATOM 407 CD2 PHE A 27 -8.184 -13.797 0.676 1.00 0.00 C ATOM 408 CE1 PHE A 27 -10.412 -15.012 -0.405 1.00 0.00 C ATOM 409 CE2 PHE A 27 -9.118 -14.387 1.506 1.00 0.00 C ATOM 410 CZ PHE A 27 -10.233 -14.995 0.965 1.00 0.00 C ATOM 0 H PHE A 27 -5.206 -12.451 -2.683 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.846 -14.700 -1.361 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.800 -12.396 -1.040 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.848 -12.664 -2.418 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -9.618 -14.440 -2.300 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.314 -13.322 1.104 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -11.284 -15.486 -0.830 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.976 -14.372 2.577 1.00 0.00 H new ATOM 0 HZ PHE A 27 -10.964 -15.457 1.612 1.00 0.00 H new ATOM 420 N ILE A 28 -7.342 -14.731 -4.300 1.00 0.00 N ATOM 421 CA ILE A 28 -8.022 -15.590 -5.261 1.00 0.00 C ATOM 422 C ILE A 28 -7.274 -16.905 -5.447 1.00 0.00 C ATOM 423 O ILE A 28 -7.880 -17.976 -5.471 1.00 0.00 O ATOM 424 CB ILE A 28 -8.170 -14.899 -6.629 1.00 0.00 C ATOM 425 CG1 ILE A 28 -8.794 -13.512 -6.460 1.00 0.00 C ATOM 426 CG2 ILE A 28 -9.011 -15.753 -7.566 1.00 0.00 C ATOM 427 CD1 ILE A 28 -10.142 -13.536 -5.774 1.00 0.00 C ATOM 0 H ILE A 28 -7.134 -13.794 -4.645 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.014 -15.792 -4.857 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.179 -14.780 -7.068 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -8.114 -12.884 -5.885 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.903 -13.049 -7.441 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -9.106 -15.251 -8.529 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.529 -16.720 -7.707 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -10.001 -15.900 -7.134 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -10.525 -12.519 -5.688 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.838 -14.137 -6.360 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -10.036 -13.969 -4.779 1.00 0.00 H new ATOM 439 N GLN A 29 -5.954 -16.816 -5.575 1.00 0.00 N ATOM 440 CA GLN A 29 -5.123 -18.000 -5.758 1.00 0.00 C ATOM 441 C GLN A 29 -4.896 -18.716 -4.430 1.00 0.00 C ATOM 442 O GLN A 29 -4.923 -19.945 -4.363 1.00 0.00 O ATOM 443 CB GLN A 29 -3.779 -17.615 -6.380 1.00 0.00 C ATOM 444 CG GLN A 29 -3.782 -17.646 -7.899 1.00 0.00 C ATOM 445 CD GLN A 29 -4.446 -18.889 -8.458 1.00 0.00 C ATOM 446 OE1 GLN A 29 -4.023 -20.010 -8.179 1.00 0.00 O ATOM 447 NE2 GLN A 29 -5.492 -18.695 -9.252 1.00 0.00 N ATOM 0 H GLN A 29 -5.437 -15.937 -5.555 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.645 -18.679 -6.432 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.507 -16.614 -6.046 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -3.010 -18.294 -6.012 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.298 -16.763 -8.275 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.755 -17.593 -8.261 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.808 -17.747 -9.456 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.979 -19.494 -9.658 1.00 0.00 H new ATOM 456 N HIS A 30 -4.672 -17.938 -3.375 1.00 0.00 N ATOM 457 CA HIS A 30 -4.440 -18.499 -2.049 1.00 0.00 C ATOM 458 C HIS A 30 -5.277 -17.773 -0.999 1.00 0.00 C ATOM 459 O HIS A 30 -4.804 -16.872 -0.308 1.00 0.00 O ATOM 460 CB HIS A 30 -2.957 -18.410 -1.686 1.00 0.00 C ATOM 461 CG HIS A 30 -2.109 -19.434 -2.374 1.00 0.00 C ATOM 462 ND1 HIS A 30 -1.792 -20.652 -1.809 1.00 0.00 N ATOM 463 CD2 HIS A 30 -1.513 -19.418 -3.590 1.00 0.00 C ATOM 464 CE1 HIS A 30 -1.036 -21.340 -2.646 1.00 0.00 C ATOM 465 NE2 HIS A 30 -0.852 -20.614 -3.734 1.00 0.00 N ATOM 0 H HIS A 30 -4.646 -16.919 -3.413 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.739 -19.547 -2.067 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -2.589 -17.416 -1.939 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.848 -18.525 -0.608 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -1.550 -18.615 -4.312 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -0.636 -22.328 -2.470 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -0.307 -20.896 -4.549 1.00 0.00 H new ATOM 473 N PRO A 31 -6.551 -18.175 -0.876 1.00 0.00 N ATOM 474 CA PRO A 31 -7.480 -17.576 0.086 1.00 0.00 C ATOM 475 C PRO A 31 -7.128 -17.927 1.528 1.00 0.00 C ATOM 476 O PRO A 31 -6.799 -19.073 1.836 1.00 0.00 O ATOM 477 CB PRO A 31 -8.831 -18.188 -0.298 1.00 0.00 C ATOM 478 CG PRO A 31 -8.489 -19.476 -0.961 1.00 0.00 C ATOM 479 CD PRO A 31 -7.182 -19.245 -1.668 1.00 0.00 C ATOM 0 HA PRO A 31 -7.462 -16.487 0.046 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -9.457 -18.349 0.580 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -9.386 -17.533 -0.969 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.400 -20.279 -0.230 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -9.267 -19.771 -1.666 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.570 -20.147 -1.686 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.333 -18.942 -2.704 1.00 0.00 H new ATOM 487 N LYS A 32 -7.200 -16.936 2.408 1.00 0.00 N ATOM 488 CA LYS A 32 -6.890 -17.139 3.818 1.00 0.00 C ATOM 489 C LYS A 32 -5.442 -17.582 3.999 1.00 0.00 C ATOM 490 O LYS A 32 -5.151 -18.471 4.797 1.00 0.00 O ATOM 491 CB LYS A 32 -7.833 -18.181 4.423 1.00 0.00 C ATOM 492 CG LYS A 32 -9.258 -17.684 4.599 1.00 0.00 C ATOM 493 CD LYS A 32 -10.093 -17.934 3.355 1.00 0.00 C ATOM 494 CE LYS A 32 -10.532 -19.388 3.261 1.00 0.00 C ATOM 495 NZ LYS A 32 -11.562 -19.590 2.204 1.00 0.00 N ATOM 0 H LYS A 32 -7.471 -15.982 2.170 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.028 -16.189 4.335 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.842 -19.065 3.785 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.443 -18.492 5.392 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.716 -18.184 5.452 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.247 -16.617 4.823 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.971 -17.288 3.369 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.516 -17.669 2.469 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.666 -20.016 3.049 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.931 -19.710 4.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.017 -20.516 2.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.279 -18.840 2.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.110 -19.555 1.268 1.00 0.00 H new ATOM 509 N ASN A 33 -4.539 -16.955 3.253 1.00 0.00 N ATOM 510 CA ASN A 33 -3.120 -17.284 3.332 1.00 0.00 C ATOM 511 C ASN A 33 -2.271 -16.019 3.404 1.00 0.00 C ATOM 512 O ASN A 33 -1.628 -15.632 2.427 1.00 0.00 O ATOM 513 CB ASN A 33 -2.702 -18.124 2.123 1.00 0.00 C ATOM 514 CG ASN A 33 -2.843 -19.611 2.377 1.00 0.00 C ATOM 515 OD1 ASN A 33 -3.602 -20.299 1.694 1.00 0.00 O ATOM 516 ND2 ASN A 33 -2.111 -20.117 3.363 1.00 0.00 N ATOM 0 H ASN A 33 -4.764 -16.216 2.587 1.00 0.00 H new ATOM 0 HA ASN A 33 -2.957 -17.862 4.242 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -3.311 -17.846 1.263 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.667 -17.898 1.867 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.165 -21.112 3.579 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.495 -19.510 3.904 1.00 0.00 H new ATOM 523 N PHE A 34 -2.272 -15.377 4.568 1.00 0.00 N ATOM 524 CA PHE A 34 -1.503 -14.155 4.769 1.00 0.00 C ATOM 525 C PHE A 34 -0.017 -14.401 4.521 1.00 0.00 C ATOM 526 O PHE A 34 0.568 -13.847 3.591 1.00 0.00 O ATOM 527 CB PHE A 34 -1.713 -13.622 6.187 1.00 0.00 C ATOM 528 CG PHE A 34 -3.155 -13.589 6.608 1.00 0.00 C ATOM 529 CD1 PHE A 34 -3.994 -12.575 6.174 1.00 0.00 C ATOM 530 CD2 PHE A 34 -3.670 -14.571 7.437 1.00 0.00 C ATOM 531 CE1 PHE A 34 -5.321 -12.542 6.558 1.00 0.00 C ATOM 532 CE2 PHE A 34 -4.997 -14.543 7.825 1.00 0.00 C ATOM 533 CZ PHE A 34 -5.823 -13.528 7.386 1.00 0.00 C ATOM 0 H PHE A 34 -2.797 -15.683 5.387 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.855 -13.412 4.053 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.153 -14.243 6.886 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.300 -12.615 6.253 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.606 -11.801 5.528 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.029 -15.367 7.784 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.965 -11.747 6.212 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -5.387 -15.315 8.471 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.859 -13.504 7.689 1.00 0.00 H new ATOM 543 N GLY A 35 0.587 -15.236 5.362 1.00 0.00 N ATOM 544 CA GLY A 35 1.999 -15.540 5.218 1.00 0.00 C ATOM 545 C GLY A 35 2.440 -15.575 3.768 1.00 0.00 C ATOM 546 O GLY A 35 3.453 -14.977 3.405 1.00 0.00 O ATOM 0 H GLY A 35 0.124 -15.707 6.140 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.585 -14.794 5.755 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.209 -16.504 5.682 1.00 0.00 H new ATOM 550 N LEU A 36 1.679 -16.279 2.938 1.00 0.00 N ATOM 551 CA LEU A 36 1.997 -16.394 1.519 1.00 0.00 C ATOM 552 C LEU A 36 1.930 -15.031 0.835 1.00 0.00 C ATOM 553 O LEU A 36 2.915 -14.566 0.259 1.00 0.00 O ATOM 554 CB LEU A 36 1.035 -17.367 0.836 1.00 0.00 C ATOM 555 CG LEU A 36 1.552 -18.040 -0.436 1.00 0.00 C ATOM 556 CD1 LEU A 36 0.803 -19.339 -0.695 1.00 0.00 C ATOM 557 CD2 LEU A 36 1.422 -17.101 -1.627 1.00 0.00 C ATOM 0 H LEU A 36 0.837 -16.779 3.223 1.00 0.00 H new ATOM 0 HA LEU A 36 3.014 -16.777 1.430 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.768 -18.145 1.552 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.119 -16.830 0.592 1.00 0.00 H new ATOM 0 HG LEU A 36 2.607 -18.274 -0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.184 -19.804 -1.604 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.947 -20.016 0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.260 -19.129 -0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.795 -17.597 -2.523 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.374 -16.835 -1.768 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.004 -16.198 -1.443 1.00 0.00 H new ATOM 569 N ILE A 37 0.765 -14.398 0.904 1.00 0.00 N ATOM 570 CA ILE A 37 0.571 -13.087 0.295 1.00 0.00 C ATOM 571 C ILE A 37 1.710 -12.139 0.655 1.00 0.00 C ATOM 572 O ILE A 37 2.268 -11.465 -0.211 1.00 0.00 O ATOM 573 CB ILE A 37 -0.764 -12.455 0.730 1.00 0.00 C ATOM 574 CG1 ILE A 37 -1.934 -13.358 0.332 1.00 0.00 C ATOM 575 CG2 ILE A 37 -0.921 -11.073 0.116 1.00 0.00 C ATOM 576 CD1 ILE A 37 -3.247 -12.962 0.971 1.00 0.00 C ATOM 0 H ILE A 37 -0.059 -14.771 1.375 1.00 0.00 H new ATOM 0 HA ILE A 37 0.556 -13.241 -0.784 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.763 -12.350 1.815 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.046 -13.337 -0.752 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.700 -14.386 0.609 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.870 -10.640 0.433 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.102 -10.434 0.445 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.904 -11.154 -0.971 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -4.031 -13.645 0.644 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.153 -13.010 2.056 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.504 -11.945 0.674 1.00 0.00 H new ATOM 588 N ALA A 38 2.053 -12.095 1.938 1.00 0.00 N ATOM 589 CA ALA A 38 3.128 -11.233 2.412 1.00 0.00 C ATOM 590 C ALA A 38 4.416 -11.484 1.636 1.00 0.00 C ATOM 591 O ALA A 38 5.108 -10.545 1.242 1.00 0.00 O ATOM 592 CB ALA A 38 3.357 -11.446 3.902 1.00 0.00 C ATOM 0 H ALA A 38 1.602 -12.646 2.668 1.00 0.00 H new ATOM 0 HA ALA A 38 2.830 -10.198 2.245 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.163 -10.796 4.243 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.444 -11.209 4.448 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.629 -12.486 4.083 1.00 0.00 H new ATOM 598 N SER A 39 4.733 -12.757 1.420 1.00 0.00 N ATOM 599 CA SER A 39 5.941 -13.132 0.694 1.00 0.00 C ATOM 600 C SER A 39 6.067 -12.333 -0.599 1.00 0.00 C ATOM 601 O SER A 39 7.092 -11.700 -0.853 1.00 0.00 O ATOM 602 CB SER A 39 5.930 -14.630 0.383 1.00 0.00 C ATOM 603 OG SER A 39 7.096 -15.012 -0.325 1.00 0.00 O ATOM 0 H SER A 39 4.170 -13.546 1.737 1.00 0.00 H new ATOM 0 HA SER A 39 6.800 -12.906 1.325 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.862 -15.197 1.312 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.046 -14.876 -0.206 1.00 0.00 H new ATOM 0 HG SER A 39 7.066 -15.974 -0.510 1.00 0.00 H new ATOM 609 N TYR A 40 5.019 -12.370 -1.414 1.00 0.00 N ATOM 610 CA TYR A 40 5.012 -11.651 -2.683 1.00 0.00 C ATOM 611 C TYR A 40 5.368 -10.182 -2.480 1.00 0.00 C ATOM 612 O TYR A 40 6.361 -9.691 -3.018 1.00 0.00 O ATOM 613 CB TYR A 40 3.641 -11.769 -3.352 1.00 0.00 C ATOM 614 CG TYR A 40 3.472 -13.028 -4.170 1.00 0.00 C ATOM 615 CD1 TYR A 40 3.387 -14.273 -3.557 1.00 0.00 C ATOM 616 CD2 TYR A 40 3.395 -12.974 -5.556 1.00 0.00 C ATOM 617 CE1 TYR A 40 3.233 -15.425 -4.301 1.00 0.00 C ATOM 618 CE2 TYR A 40 3.240 -14.122 -6.308 1.00 0.00 C ATOM 619 CZ TYR A 40 3.160 -15.345 -5.676 1.00 0.00 C ATOM 620 OH TYR A 40 3.005 -16.493 -6.421 1.00 0.00 O ATOM 0 H TYR A 40 4.163 -12.890 -1.219 1.00 0.00 H new ATOM 0 HA TYR A 40 5.765 -12.101 -3.331 1.00 0.00 H new ATOM 0 HB2 TYR A 40 2.868 -11.738 -2.584 1.00 0.00 H new ATOM 0 HB3 TYR A 40 3.485 -10.904 -3.996 1.00 0.00 H new ATOM 0 HD1 TYR A 40 3.442 -14.340 -2.480 1.00 0.00 H new ATOM 0 HD2 TYR A 40 3.457 -12.018 -6.054 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.170 -16.384 -3.809 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.182 -14.062 -7.385 1.00 0.00 H new ATOM 0 HH TYR A 40 2.970 -16.263 -7.373 1.00 0.00 H new ATOM 630 N LEU A 41 4.550 -9.486 -1.698 1.00 0.00 N ATOM 631 CA LEU A 41 4.777 -8.070 -1.421 1.00 0.00 C ATOM 632 C LEU A 41 6.116 -7.860 -0.722 1.00 0.00 C ATOM 633 O LEU A 41 6.514 -8.656 0.129 1.00 0.00 O ATOM 634 CB LEU A 41 3.644 -7.511 -0.558 1.00 0.00 C ATOM 635 CG LEU A 41 2.228 -7.705 -1.101 1.00 0.00 C ATOM 636 CD1 LEU A 41 1.210 -7.638 0.027 1.00 0.00 C ATOM 637 CD2 LEU A 41 1.918 -6.663 -2.165 1.00 0.00 C ATOM 0 H LEU A 41 3.724 -9.878 -1.245 1.00 0.00 H new ATOM 0 HA LEU A 41 4.797 -7.537 -2.372 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.701 -7.976 0.426 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.814 -6.444 -0.417 1.00 0.00 H new ATOM 0 HG LEU A 41 2.167 -8.692 -1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.208 -7.778 -0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.420 -8.422 0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.271 -6.665 0.515 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.906 -6.816 -2.540 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.997 -5.666 -1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.628 -6.759 -2.986 1.00 0.00 H new ATOM 649 N GLU A 42 6.805 -6.784 -1.086 1.00 0.00 N ATOM 650 CA GLU A 42 8.099 -6.469 -0.491 1.00 0.00 C ATOM 651 C GLU A 42 7.955 -5.408 0.596 1.00 0.00 C ATOM 652 O GLU A 42 8.569 -5.505 1.658 1.00 0.00 O ATOM 653 CB GLU A 42 9.075 -5.985 -1.566 1.00 0.00 C ATOM 654 CG GLU A 42 8.569 -4.787 -2.352 1.00 0.00 C ATOM 655 CD GLU A 42 9.650 -4.150 -3.204 1.00 0.00 C ATOM 656 OE1 GLU A 42 10.843 -4.349 -2.894 1.00 0.00 O ATOM 657 OE2 GLU A 42 9.303 -3.452 -4.179 1.00 0.00 O ATOM 0 H GLU A 42 6.490 -6.116 -1.789 1.00 0.00 H new ATOM 0 HA GLU A 42 8.492 -7.378 -0.036 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.023 -5.725 -1.094 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.277 -6.804 -2.257 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.744 -5.099 -2.992 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.172 -4.044 -1.660 1.00 0.00 H new ATOM 664 N ARG A 43 7.140 -4.395 0.321 1.00 0.00 N ATOM 665 CA ARG A 43 6.917 -3.314 1.274 1.00 0.00 C ATOM 666 C ARG A 43 5.738 -3.632 2.189 1.00 0.00 C ATOM 667 O ARG A 43 5.001 -2.737 2.603 1.00 0.00 O ATOM 668 CB ARG A 43 6.663 -1.999 0.535 1.00 0.00 C ATOM 669 CG ARG A 43 7.933 -1.240 0.188 1.00 0.00 C ATOM 670 CD ARG A 43 8.417 -0.399 1.360 1.00 0.00 C ATOM 671 NE ARG A 43 9.827 -0.043 1.231 1.00 0.00 N ATOM 672 CZ ARG A 43 10.824 -0.881 1.491 1.00 0.00 C ATOM 673 NH1 ARG A 43 10.567 -2.119 1.891 1.00 0.00 N ATOM 674 NH2 ARG A 43 12.082 -0.482 1.351 1.00 0.00 N ATOM 0 H ARG A 43 6.623 -4.300 -0.553 1.00 0.00 H new ATOM 0 HA ARG A 43 7.813 -3.211 1.886 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.113 -2.208 -0.382 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.027 -1.363 1.151 1.00 0.00 H new ATOM 0 HG2 ARG A 43 8.712 -1.945 -0.102 1.00 0.00 H new ATOM 0 HG3 ARG A 43 7.750 -0.596 -0.672 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.818 0.509 1.426 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.265 -0.949 2.289 1.00 0.00 H new ATOM 0 HE ARG A 43 10.059 0.902 0.924 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.602 -2.430 2.000 1.00 0.00 H new ATOM 0 HH12 ARG A 43 11.335 -2.760 2.090 1.00 0.00 H new ATOM 0 HH21 ARG A 43 12.284 0.469 1.043 1.00 0.00 H new ATOM 0 HH22 ARG A 43 12.847 -1.127 1.551 1.00 0.00 H new ATOM 688 N LYS A 44 5.566 -4.912 2.501 1.00 0.00 N ATOM 689 CA LYS A 44 4.478 -5.349 3.367 1.00 0.00 C ATOM 690 C LYS A 44 4.888 -6.574 4.179 1.00 0.00 C ATOM 691 O LYS A 44 5.356 -7.569 3.626 1.00 0.00 O ATOM 692 CB LYS A 44 3.233 -5.668 2.536 1.00 0.00 C ATOM 693 CG LYS A 44 2.575 -4.440 1.931 1.00 0.00 C ATOM 694 CD LYS A 44 1.858 -3.615 2.986 1.00 0.00 C ATOM 695 CE LYS A 44 1.459 -2.249 2.448 1.00 0.00 C ATOM 696 NZ LYS A 44 2.571 -1.265 2.554 1.00 0.00 N ATOM 0 H LYS A 44 6.167 -5.665 2.167 1.00 0.00 H new ATOM 0 HA LYS A 44 4.248 -4.537 4.057 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.507 -6.355 1.735 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.509 -6.185 3.166 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.330 -3.827 1.439 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.865 -4.748 1.164 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.969 -4.148 3.324 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.505 -3.491 3.854 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.156 -2.344 1.405 1.00 0.00 H new ATOM 0 HE3 LYS A 44 0.594 -1.880 2.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.553 -0.631 1.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.458 -0.706 3.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.480 -1.770 2.583 1.00 0.00 H new ATOM 710 N SER A 45 4.707 -6.495 5.494 1.00 0.00 N ATOM 711 CA SER A 45 5.061 -7.596 6.381 1.00 0.00 C ATOM 712 C SER A 45 3.851 -8.487 6.650 1.00 0.00 C ATOM 713 O SER A 45 2.738 -8.189 6.218 1.00 0.00 O ATOM 714 CB SER A 45 5.615 -7.058 7.702 1.00 0.00 C ATOM 715 OG SER A 45 6.469 -8.004 8.320 1.00 0.00 O ATOM 0 H SER A 45 4.317 -5.680 5.968 1.00 0.00 H new ATOM 0 HA SER A 45 5.829 -8.193 5.889 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.163 -6.133 7.520 1.00 0.00 H new ATOM 0 HB3 SER A 45 4.791 -6.814 8.373 1.00 0.00 H new ATOM 0 HG SER A 45 6.811 -7.635 9.161 1.00 0.00 H new ATOM 721 N VAL A 46 4.079 -9.583 7.367 1.00 0.00 N ATOM 722 CA VAL A 46 3.009 -10.517 7.696 1.00 0.00 C ATOM 723 C VAL A 46 1.861 -9.812 8.408 1.00 0.00 C ATOM 724 O VAL A 46 0.715 -9.826 7.958 1.00 0.00 O ATOM 725 CB VAL A 46 3.521 -11.667 8.585 1.00 0.00 C ATOM 726 CG1 VAL A 46 2.427 -12.137 9.531 1.00 0.00 C ATOM 727 CG2 VAL A 46 4.028 -12.818 7.729 1.00 0.00 C ATOM 0 H VAL A 46 4.995 -9.846 7.731 1.00 0.00 H new ATOM 0 HA VAL A 46 2.649 -10.928 6.753 1.00 0.00 H new ATOM 0 HB VAL A 46 4.353 -11.297 9.184 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.806 -12.949 10.151 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.116 -11.309 10.168 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.573 -12.490 8.953 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.386 -13.621 8.374 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.217 -13.190 7.102 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.845 -12.469 7.097 1.00 0.00 H new ATOM 737 N PRO A 47 2.173 -9.175 9.547 1.00 0.00 N ATOM 738 CA PRO A 47 1.181 -8.450 10.346 1.00 0.00 C ATOM 739 C PRO A 47 0.698 -7.179 9.654 1.00 0.00 C ATOM 740 O PRO A 47 -0.168 -6.472 10.170 1.00 0.00 O ATOM 741 CB PRO A 47 1.943 -8.104 11.628 1.00 0.00 C ATOM 742 CG PRO A 47 3.376 -8.080 11.222 1.00 0.00 C ATOM 743 CD PRO A 47 3.519 -9.116 10.142 1.00 0.00 C ATOM 0 HA PRO A 47 0.281 -9.042 10.515 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.629 -7.140 12.027 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.765 -8.845 12.407 1.00 0.00 H new ATOM 0 HG2 PRO A 47 3.661 -7.094 10.856 1.00 0.00 H new ATOM 0 HG3 PRO A 47 4.025 -8.306 12.068 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.271 -8.829 9.407 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.822 -10.081 10.548 1.00 0.00 H new ATOM 751 N ASP A 48 1.262 -6.895 8.486 1.00 0.00 N ATOM 752 CA ASP A 48 0.887 -5.710 7.723 1.00 0.00 C ATOM 753 C ASP A 48 -0.270 -6.017 6.777 1.00 0.00 C ATOM 754 O ASP A 48 -1.280 -5.312 6.767 1.00 0.00 O ATOM 755 CB ASP A 48 2.086 -5.188 6.930 1.00 0.00 C ATOM 756 CG ASP A 48 3.149 -4.578 7.822 1.00 0.00 C ATOM 757 OD1 ASP A 48 3.353 -5.095 8.941 1.00 0.00 O ATOM 758 OD2 ASP A 48 3.779 -3.586 7.401 1.00 0.00 O ATOM 0 H ASP A 48 1.981 -7.469 8.046 1.00 0.00 H new ATOM 0 HA ASP A 48 0.564 -4.942 8.426 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.523 -6.006 6.357 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.746 -4.441 6.212 1.00 0.00 H new ATOM 763 N CYS A 49 -0.115 -7.071 5.984 1.00 0.00 N ATOM 764 CA CYS A 49 -1.147 -7.469 5.032 1.00 0.00 C ATOM 765 C CYS A 49 -2.503 -7.591 5.720 1.00 0.00 C ATOM 766 O CYS A 49 -3.530 -7.201 5.164 1.00 0.00 O ATOM 767 CB CYS A 49 -0.775 -8.799 4.372 1.00 0.00 C ATOM 768 SG CYS A 49 -0.631 -10.181 5.528 1.00 0.00 S ATOM 0 H CYS A 49 0.714 -7.665 5.981 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.217 -6.698 4.265 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -1.527 -9.043 3.622 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.172 -8.679 3.846 1.00 0.00 H new ATOM 0 HG CYS A 49 0.216 -9.876 6.465 1.00 0.00 H new ATOM 774 N VAL A 50 -2.499 -8.136 6.932 1.00 0.00 N ATOM 775 CA VAL A 50 -3.729 -8.311 7.696 1.00 0.00 C ATOM 776 C VAL A 50 -4.559 -7.031 7.700 1.00 0.00 C ATOM 777 O VAL A 50 -5.757 -7.054 7.416 1.00 0.00 O ATOM 778 CB VAL A 50 -3.433 -8.722 9.150 1.00 0.00 C ATOM 779 CG1 VAL A 50 -4.717 -8.767 9.964 1.00 0.00 C ATOM 780 CG2 VAL A 50 -2.720 -10.066 9.188 1.00 0.00 C ATOM 0 H VAL A 50 -1.658 -8.464 7.406 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.294 -9.106 7.210 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.776 -7.975 9.595 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.488 -9.059 10.989 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.183 -7.782 9.963 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.401 -9.492 9.524 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.518 -10.342 10.223 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.351 -10.826 8.727 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.780 -9.995 8.642 1.00 0.00 H new ATOM 790 N LEU A 51 -3.914 -5.915 8.024 1.00 0.00 N ATOM 791 CA LEU A 51 -4.592 -4.624 8.065 1.00 0.00 C ATOM 792 C LEU A 51 -5.527 -4.462 6.871 1.00 0.00 C ATOM 793 O LEU A 51 -6.697 -4.110 7.030 1.00 0.00 O ATOM 794 CB LEU A 51 -3.567 -3.488 8.082 1.00 0.00 C ATOM 795 CG LEU A 51 -2.885 -3.220 9.424 1.00 0.00 C ATOM 796 CD1 LEU A 51 -1.627 -2.388 9.226 1.00 0.00 C ATOM 797 CD2 LEU A 51 -3.843 -2.523 10.379 1.00 0.00 C ATOM 0 H LEU A 51 -2.923 -5.878 8.262 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.187 -4.583 8.977 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.797 -3.709 7.343 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.063 -2.573 7.760 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.599 -4.176 9.862 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.155 -2.207 10.192 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.934 -2.925 8.578 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.890 -1.435 8.766 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.341 -2.340 11.329 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.160 -1.574 9.948 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.715 -3.155 10.545 1.00 0.00 H new ATOM 809 N TYR A 52 -5.006 -4.724 5.678 1.00 0.00 N ATOM 810 CA TYR A 52 -5.795 -4.607 4.457 1.00 0.00 C ATOM 811 C TYR A 52 -7.057 -5.460 4.540 1.00 0.00 C ATOM 812 O TYR A 52 -8.171 -4.957 4.397 1.00 0.00 O ATOM 813 CB TYR A 52 -4.962 -5.026 3.245 1.00 0.00 C ATOM 814 CG TYR A 52 -5.758 -5.109 1.962 1.00 0.00 C ATOM 815 CD1 TYR A 52 -6.120 -3.959 1.271 1.00 0.00 C ATOM 816 CD2 TYR A 52 -6.150 -6.337 1.443 1.00 0.00 C ATOM 817 CE1 TYR A 52 -6.848 -4.030 0.099 1.00 0.00 C ATOM 818 CE2 TYR A 52 -6.877 -6.418 0.271 1.00 0.00 C ATOM 819 CZ TYR A 52 -7.224 -5.261 -0.397 1.00 0.00 C ATOM 820 OH TYR A 52 -7.949 -5.337 -1.564 1.00 0.00 O ATOM 0 H TYR A 52 -4.041 -5.019 5.530 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.090 -3.564 4.344 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -4.147 -4.315 3.112 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.508 -5.997 3.445 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -5.827 -2.994 1.657 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.882 -7.244 1.965 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -7.121 -3.127 -0.426 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.172 -7.381 -0.120 1.00 0.00 H new ATOM 0 HH TYR A 52 -8.131 -6.276 -1.775 1.00 0.00 H new ATOM 830 N TYR A 53 -6.873 -6.755 4.773 1.00 0.00 N ATOM 831 CA TYR A 53 -7.996 -7.680 4.874 1.00 0.00 C ATOM 832 C TYR A 53 -9.160 -7.044 5.627 1.00 0.00 C ATOM 833 O TYR A 53 -10.324 -7.260 5.290 1.00 0.00 O ATOM 834 CB TYR A 53 -7.561 -8.969 5.576 1.00 0.00 C ATOM 835 CG TYR A 53 -8.607 -10.059 5.542 1.00 0.00 C ATOM 836 CD1 TYR A 53 -9.693 -10.036 6.409 1.00 0.00 C ATOM 837 CD2 TYR A 53 -8.509 -11.115 4.643 1.00 0.00 C ATOM 838 CE1 TYR A 53 -10.650 -11.031 6.381 1.00 0.00 C ATOM 839 CE2 TYR A 53 -9.463 -12.113 4.607 1.00 0.00 C ATOM 840 CZ TYR A 53 -10.531 -12.068 5.478 1.00 0.00 C ATOM 841 OH TYR A 53 -11.483 -13.061 5.447 1.00 0.00 O ATOM 0 H TYR A 53 -5.958 -7.188 4.895 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.329 -7.919 3.864 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -6.649 -9.338 5.107 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -7.317 -8.743 6.614 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -9.790 -9.226 7.117 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -7.672 -11.156 3.961 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -11.487 -10.998 7.062 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -9.373 -12.925 3.900 1.00 0.00 H new ATOM 0 HH TYR A 53 -11.252 -13.714 4.754 1.00 0.00 H new ATOM 851 N TYR A 54 -8.836 -6.260 6.649 1.00 0.00 N ATOM 852 CA TYR A 54 -9.854 -5.593 7.453 1.00 0.00 C ATOM 853 C TYR A 54 -10.486 -4.438 6.683 1.00 0.00 C ATOM 854 O TYR A 54 -11.708 -4.294 6.647 1.00 0.00 O ATOM 855 CB TYR A 54 -9.246 -5.078 8.759 1.00 0.00 C ATOM 856 CG TYR A 54 -9.304 -6.080 9.890 1.00 0.00 C ATOM 857 CD1 TYR A 54 -8.874 -7.389 9.707 1.00 0.00 C ATOM 858 CD2 TYR A 54 -9.788 -5.719 11.141 1.00 0.00 C ATOM 859 CE1 TYR A 54 -8.926 -8.309 10.737 1.00 0.00 C ATOM 860 CE2 TYR A 54 -9.842 -6.631 12.177 1.00 0.00 C ATOM 861 CZ TYR A 54 -9.410 -7.924 11.970 1.00 0.00 C ATOM 862 OH TYR A 54 -9.463 -8.837 12.999 1.00 0.00 O ATOM 0 H TYR A 54 -7.877 -6.071 6.941 1.00 0.00 H new ATOM 0 HA TYR A 54 -10.632 -6.320 7.684 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -8.206 -4.802 8.582 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -9.770 -4.171 9.061 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -8.493 -7.692 8.743 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -10.128 -4.707 11.307 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.590 -9.323 10.578 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -10.220 -6.333 13.144 1.00 0.00 H new ATOM 0 HH TYR A 54 -9.828 -8.406 13.800 1.00 0.00 H new ATOM 872 N LEU A 55 -9.643 -3.615 6.067 1.00 0.00 N ATOM 873 CA LEU A 55 -10.117 -2.471 5.295 1.00 0.00 C ATOM 874 C LEU A 55 -10.911 -2.928 4.076 1.00 0.00 C ATOM 875 O LEU A 55 -12.075 -2.564 3.906 1.00 0.00 O ATOM 876 CB LEU A 55 -8.936 -1.604 4.854 1.00 0.00 C ATOM 877 CG LEU A 55 -7.987 -1.148 5.963 1.00 0.00 C ATOM 878 CD1 LEU A 55 -6.734 -0.524 5.370 1.00 0.00 C ATOM 879 CD2 LEU A 55 -8.686 -0.166 6.892 1.00 0.00 C ATOM 0 H LEU A 55 -8.628 -3.719 6.087 1.00 0.00 H new ATOM 0 HA LEU A 55 -10.775 -1.881 5.933 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.359 -2.160 4.115 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.328 -0.719 4.352 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.692 -2.021 6.545 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.071 -0.206 6.174 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.222 -1.257 4.747 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.009 0.339 4.764 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.996 0.148 7.675 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.010 0.705 6.323 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.553 -0.647 7.344 1.00 0.00 H new ATOM 891 N THR A 56 -10.274 -3.730 3.228 1.00 0.00 N ATOM 892 CA THR A 56 -10.921 -4.238 2.024 1.00 0.00 C ATOM 893 C THR A 56 -12.377 -4.599 2.293 1.00 0.00 C ATOM 894 O THR A 56 -13.234 -4.457 1.421 1.00 0.00 O ATOM 895 CB THR A 56 -10.190 -5.478 1.475 1.00 0.00 C ATOM 896 OG1 THR A 56 -10.815 -5.919 0.264 1.00 0.00 O ATOM 897 CG2 THR A 56 -10.195 -6.606 2.495 1.00 0.00 C ATOM 0 H THR A 56 -9.311 -4.042 3.353 1.00 0.00 H new ATOM 0 HA THR A 56 -10.878 -3.441 1.282 1.00 0.00 H new ATOM 0 HB THR A 56 -9.156 -5.201 1.270 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.344 -6.707 -0.079 1.00 0.00 H new ATOM 0 HG21 THR A 56 -9.673 -7.470 2.084 1.00 0.00 H new ATOM 0 HG22 THR A 56 -9.692 -6.277 3.404 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.224 -6.881 2.729 1.00 0.00 H new ATOM 905 N LYS A 57 -12.652 -5.066 3.506 1.00 0.00 N ATOM 906 CA LYS A 57 -14.006 -5.446 3.891 1.00 0.00 C ATOM 907 C LYS A 57 -14.779 -4.242 4.419 1.00 0.00 C ATOM 908 O LYS A 57 -15.945 -4.042 4.076 1.00 0.00 O ATOM 909 CB LYS A 57 -13.966 -6.545 4.955 1.00 0.00 C ATOM 910 CG LYS A 57 -15.154 -6.519 5.902 1.00 0.00 C ATOM 911 CD LYS A 57 -16.447 -6.866 5.184 1.00 0.00 C ATOM 912 CE LYS A 57 -17.585 -7.100 6.166 1.00 0.00 C ATOM 913 NZ LYS A 57 -18.779 -7.690 5.501 1.00 0.00 N ATOM 0 H LYS A 57 -11.955 -5.190 4.240 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.516 -5.824 3.005 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.927 -7.516 4.461 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.048 -6.445 5.534 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.988 -7.225 6.715 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.241 -5.530 6.352 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.714 -6.058 4.502 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.299 -7.759 4.577 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -17.247 -7.764 6.962 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -17.860 -6.155 6.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -19.532 -7.834 6.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -19.117 -7.045 4.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.523 -8.604 5.075 1.00 0.00 H new ATOM 927 N LYS A 58 -14.123 -3.442 5.252 1.00 0.00 N ATOM 928 CA LYS A 58 -14.748 -2.255 5.825 1.00 0.00 C ATOM 929 C LYS A 58 -14.555 -1.046 4.916 1.00 0.00 C ATOM 930 O LYS A 58 -13.480 -0.448 4.882 1.00 0.00 O ATOM 931 CB LYS A 58 -14.163 -1.964 7.209 1.00 0.00 C ATOM 932 CG LYS A 58 -14.595 -0.625 7.782 1.00 0.00 C ATOM 933 CD LYS A 58 -14.090 -0.438 9.203 1.00 0.00 C ATOM 934 CE LYS A 58 -15.064 -1.012 10.221 1.00 0.00 C ATOM 935 NZ LYS A 58 -14.788 -0.512 11.596 1.00 0.00 N ATOM 0 H LYS A 58 -13.158 -3.594 5.546 1.00 0.00 H new ATOM 0 HA LYS A 58 -15.816 -2.448 5.921 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -14.462 -2.757 7.895 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.075 -1.989 7.147 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.218 0.180 7.152 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -15.683 -0.557 7.769 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -13.120 -0.923 9.312 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.940 0.623 9.400 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -16.083 -0.749 9.937 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.001 -2.100 10.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.473 -0.926 12.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -13.825 -0.784 11.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -14.873 0.524 11.612 1.00 0.00 H new ATOM 949 N ASN A 59 -15.604 -0.691 4.181 1.00 0.00 N ATOM 950 CA ASN A 59 -15.549 0.448 3.271 1.00 0.00 C ATOM 951 C ASN A 59 -16.905 1.141 3.186 1.00 0.00 C ATOM 952 O ASN A 59 -17.948 0.488 3.174 1.00 0.00 O ATOM 953 CB ASN A 59 -15.107 -0.005 1.879 1.00 0.00 C ATOM 954 CG ASN A 59 -14.612 1.147 1.025 1.00 0.00 C ATOM 955 OD1 ASN A 59 -14.684 2.307 1.428 1.00 0.00 O ATOM 956 ND2 ASN A 59 -14.106 0.829 -0.161 1.00 0.00 N ATOM 0 H ASN A 59 -16.502 -1.175 4.198 1.00 0.00 H new ATOM 0 HA ASN A 59 -14.821 1.159 3.662 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -14.315 -0.748 1.976 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -15.942 -0.493 1.377 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -13.757 1.561 -0.779 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -14.067 -0.147 -0.453 1.00 0.00 H new ATOM 963 N GLU A 60 -16.883 2.470 3.127 1.00 0.00 N ATOM 964 CA GLU A 60 -18.111 3.251 3.043 1.00 0.00 C ATOM 965 C GLU A 60 -18.715 3.166 1.644 1.00 0.00 C ATOM 966 O GLU A 60 -18.020 2.870 0.673 1.00 0.00 O ATOM 967 CB GLU A 60 -17.837 4.712 3.403 1.00 0.00 C ATOM 968 CG GLU A 60 -17.515 4.927 4.873 1.00 0.00 C ATOM 969 CD GLU A 60 -18.678 4.580 5.782 1.00 0.00 C ATOM 970 OE1 GLU A 60 -19.007 3.381 5.893 1.00 0.00 O ATOM 971 OE2 GLU A 60 -19.259 5.507 6.381 1.00 0.00 O ATOM 0 H GLU A 60 -16.029 3.027 3.136 1.00 0.00 H new ATOM 0 HA GLU A 60 -18.825 2.836 3.754 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.005 5.076 2.800 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -18.708 5.312 3.139 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -16.652 4.319 5.145 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -17.233 5.968 5.031 1.00 0.00 H new ATOM 978 N ASN A 61 -20.015 3.425 1.551 1.00 0.00 N ATOM 979 CA ASN A 61 -20.715 3.377 0.273 1.00 0.00 C ATOM 980 C ASN A 61 -21.423 4.698 -0.010 1.00 0.00 C ATOM 981 O ASN A 61 -21.786 4.988 -1.150 1.00 0.00 O ATOM 982 CB ASN A 61 -21.728 2.231 0.265 1.00 0.00 C ATOM 983 CG ASN A 61 -21.099 0.905 -0.119 1.00 0.00 C ATOM 984 OD1 ASN A 61 -20.197 0.852 -0.955 1.00 0.00 O ATOM 985 ND2 ASN A 61 -21.573 -0.174 0.492 1.00 0.00 N ATOM 0 H ASN A 61 -20.605 3.670 2.346 1.00 0.00 H new ATOM 0 HA ASN A 61 -19.977 3.206 -0.510 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -22.180 2.143 1.253 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -22.531 2.465 -0.434 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -21.188 -1.093 0.275 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -22.322 -0.084 1.179 1.00 0.00 H new TER 992 ASN A 61