USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=17 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 59 ASN : amide:sc= -1.05 K(o=-1.1,f=-6!) USER MOD Set 1.2: A 61 ASN : amide:sc= -0.0422 K(o=-1.1,f=-3.3!) USER MOD Set 2.1: A 26 LYS NZ :NH3+ 136:sc= -1.77! (180deg=-4.77!) USER MOD Set 2.2: A 30 HIS :FLIP no HE2:sc= -3.79! C(o=-8!,f=-5.6!) USER MOD Set 2.3: A 40 TYR OH : rot 42:sc=0.000293 USER MOD Set 3.1: A 3 SER OG : rot 180:sc=0.000408 USER MOD Set 3.2: A 5 SER OG : rot -96:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -174:sc= 0 (180deg=-0.0385) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -54:sc= 0.225 USER MOD Single : A 10 GLN : amide:sc= -0.055 X(o=-0.055,f=-0.067) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.149 K(o=-0.15,f=-1.1) USER MOD Single : A 16 THR OG1 : rot -72:sc= 1.19 USER MOD Single : A 18 HIS : no HD1:sc= -0.0399 K(o=-0.04,f=-1) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.141 K(o=-0.14,f=-3.1!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc=-0.00293 K(o=-0.0029,f=-1.6!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -165:sc= 1.49 (180deg=1.21) USER MOD Single : A 45 SER OG : rot 122:sc= 1.3 USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.266 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 56 THR OG1 : rot 110:sc= 1.37 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 ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.632 -7.197 18.754 1.00 0.00 N ATOM 2 CA GLY A 1 23.378 -6.501 18.972 1.00 0.00 C ATOM 3 C GLY A 1 22.951 -5.684 17.769 1.00 0.00 C ATOM 4 O GLY A 1 21.772 -5.658 17.414 1.00 0.00 O ATOM 0 H1 GLY A 1 24.829 -7.819 19.564 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.566 -7.767 17.887 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.401 -6.504 18.655 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.600 -7.227 19.209 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.476 -5.845 19.837 1.00 0.00 H new ATOM 8 N SER A 2 23.911 -5.013 17.140 1.00 0.00 N ATOM 9 CA SER A 2 23.627 -4.188 15.973 1.00 0.00 C ATOM 10 C SER A 2 22.516 -4.803 15.128 1.00 0.00 C ATOM 11 O SER A 2 22.428 -6.023 14.992 1.00 0.00 O ATOM 12 CB SER A 2 24.889 -4.012 15.126 1.00 0.00 C ATOM 13 OG SER A 2 25.727 -3.002 15.662 1.00 0.00 O ATOM 0 H SER A 2 24.892 -5.025 17.420 1.00 0.00 H new ATOM 0 HA SER A 2 23.294 -3.211 16.324 1.00 0.00 H new ATOM 0 HB2 SER A 2 25.434 -4.955 15.080 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.612 -3.754 14.104 1.00 0.00 H new ATOM 0 HG SER A 2 26.527 -2.910 15.104 1.00 0.00 H new ATOM 19 N SER A 3 21.668 -3.949 14.562 1.00 0.00 N ATOM 20 CA SER A 3 20.560 -4.408 13.734 1.00 0.00 C ATOM 21 C SER A 3 20.792 -4.051 12.269 1.00 0.00 C ATOM 22 O SER A 3 21.604 -3.183 11.951 1.00 0.00 O ATOM 23 CB SER A 3 19.245 -3.794 14.218 1.00 0.00 C ATOM 24 OG SER A 3 19.220 -2.396 13.989 1.00 0.00 O ATOM 0 H SER A 3 21.728 -2.936 14.662 1.00 0.00 H new ATOM 0 HA SER A 3 20.500 -5.493 13.820 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.408 -4.265 13.702 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.117 -3.994 15.282 1.00 0.00 H new ATOM 0 HG SER A 3 18.369 -2.028 14.305 1.00 0.00 H new ATOM 30 N GLY A 4 20.071 -4.728 11.380 1.00 0.00 N ATOM 31 CA GLY A 4 20.213 -4.469 9.959 1.00 0.00 C ATOM 32 C GLY A 4 19.435 -3.246 9.512 1.00 0.00 C ATOM 33 O GLY A 4 18.269 -3.349 9.132 1.00 0.00 O ATOM 0 H GLY A 4 19.392 -5.451 11.618 1.00 0.00 H new ATOM 0 HA2 GLY A 4 21.268 -4.332 9.721 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.871 -5.339 9.398 1.00 0.00 H new ATOM 37 N SER A 5 20.081 -2.086 9.560 1.00 0.00 N ATOM 38 CA SER A 5 19.440 -0.839 9.162 1.00 0.00 C ATOM 39 C SER A 5 20.480 0.251 8.911 1.00 0.00 C ATOM 40 O SER A 5 21.520 0.293 9.568 1.00 0.00 O ATOM 41 CB SER A 5 18.455 -0.380 10.239 1.00 0.00 C ATOM 42 OG SER A 5 19.101 -0.235 11.492 1.00 0.00 O ATOM 0 H SER A 5 21.047 -1.984 9.870 1.00 0.00 H new ATOM 0 HA SER A 5 18.896 -1.019 8.235 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.007 0.569 9.945 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.644 -1.103 10.326 1.00 0.00 H new ATOM 0 HG SER A 5 18.974 -1.050 12.022 1.00 0.00 H new ATOM 48 N SER A 6 20.190 1.128 7.956 1.00 0.00 N ATOM 49 CA SER A 6 21.101 2.214 7.615 1.00 0.00 C ATOM 50 C SER A 6 20.432 3.569 7.827 1.00 0.00 C ATOM 51 O SER A 6 20.573 4.479 7.011 1.00 0.00 O ATOM 52 CB SER A 6 21.563 2.083 6.163 1.00 0.00 C ATOM 53 OG SER A 6 22.651 2.951 5.894 1.00 0.00 O ATOM 0 H SER A 6 19.332 1.108 7.405 1.00 0.00 H new ATOM 0 HA SER A 6 21.968 2.149 8.272 1.00 0.00 H new ATOM 0 HB2 SER A 6 21.858 1.053 5.963 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.735 2.314 5.492 1.00 0.00 H new ATOM 0 HG SER A 6 22.409 3.867 6.145 1.00 0.00 H new ATOM 59 N GLY A 7 19.704 3.697 8.932 1.00 0.00 N ATOM 60 CA GLY A 7 19.024 4.944 9.233 1.00 0.00 C ATOM 61 C GLY A 7 17.689 5.062 8.525 1.00 0.00 C ATOM 62 O GLY A 7 17.427 6.050 7.840 1.00 0.00 O ATOM 0 H GLY A 7 19.573 2.960 9.624 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.869 5.019 10.309 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.660 5.780 8.944 1.00 0.00 H new ATOM 66 N ASP A 8 16.843 4.050 8.690 1.00 0.00 N ATOM 67 CA ASP A 8 15.527 4.045 8.060 1.00 0.00 C ATOM 68 C ASP A 8 14.422 3.993 9.111 1.00 0.00 C ATOM 69 O ASP A 8 14.525 3.265 10.098 1.00 0.00 O ATOM 70 CB ASP A 8 15.399 2.855 7.108 1.00 0.00 C ATOM 71 CG ASP A 8 15.505 1.524 7.827 1.00 0.00 C ATOM 72 OD1 ASP A 8 16.563 1.261 8.437 1.00 0.00 O ATOM 73 OD2 ASP A 8 14.530 0.746 7.780 1.00 0.00 O ATOM 0 H ASP A 8 17.045 3.224 9.254 1.00 0.00 H new ATOM 0 HA ASP A 8 15.420 4.969 7.491 1.00 0.00 H new ATOM 0 HB2 ASP A 8 14.442 2.909 6.590 1.00 0.00 H new ATOM 0 HB3 ASP A 8 16.177 2.917 6.347 1.00 0.00 H new ATOM 78 N ARG A 9 13.367 4.771 8.891 1.00 0.00 N ATOM 79 CA ARG A 9 12.244 4.814 9.820 1.00 0.00 C ATOM 80 C ARG A 9 10.944 5.130 9.086 1.00 0.00 C ATOM 81 O ARG A 9 10.812 6.182 8.462 1.00 0.00 O ATOM 82 CB ARG A 9 12.495 5.861 10.907 1.00 0.00 C ATOM 83 CG ARG A 9 13.618 5.491 11.862 1.00 0.00 C ATOM 84 CD ARG A 9 14.068 6.689 12.685 1.00 0.00 C ATOM 85 NE ARG A 9 15.107 6.332 13.647 1.00 0.00 N ATOM 86 CZ ARG A 9 16.371 6.097 13.311 1.00 0.00 C ATOM 87 NH1 ARG A 9 16.749 6.179 12.043 1.00 0.00 N ATOM 88 NH2 ARG A 9 17.258 5.778 14.244 1.00 0.00 N ATOM 0 H ARG A 9 13.266 5.379 8.079 1.00 0.00 H new ATOM 0 HA ARG A 9 12.150 3.832 10.284 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.731 6.814 10.434 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.578 6.007 11.477 1.00 0.00 H new ATOM 0 HG2 ARG A 9 13.283 4.696 12.528 1.00 0.00 H new ATOM 0 HG3 ARG A 9 14.463 5.099 11.297 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.442 7.467 12.019 1.00 0.00 H new ATOM 0 HD3 ARG A 9 13.212 7.107 13.214 1.00 0.00 H new ATOM 0 HE ARG A 9 14.848 6.259 14.631 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.069 6.423 11.323 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.720 5.998 11.788 1.00 0.00 H new ATOM 0 HH21 ARG A 9 16.970 5.713 15.220 1.00 0.00 H new ATOM 0 HH22 ARG A 9 18.228 5.598 13.985 1.00 0.00 H new ATOM 102 N GLN A 10 9.987 4.211 9.167 1.00 0.00 N ATOM 103 CA GLN A 10 8.698 4.389 8.510 1.00 0.00 C ATOM 104 C GLN A 10 7.724 5.135 9.416 1.00 0.00 C ATOM 105 O GLN A 10 7.821 5.062 10.641 1.00 0.00 O ATOM 106 CB GLN A 10 8.111 3.034 8.114 1.00 0.00 C ATOM 107 CG GLN A 10 8.728 2.448 6.855 1.00 0.00 C ATOM 108 CD GLN A 10 10.073 1.797 7.113 1.00 0.00 C ATOM 109 OE1 GLN A 10 10.175 0.837 7.877 1.00 0.00 O ATOM 110 NE2 GLN A 10 11.115 2.319 6.477 1.00 0.00 N ATOM 0 H GLN A 10 10.080 3.335 9.682 1.00 0.00 H new ATOM 0 HA GLN A 10 8.856 4.984 7.610 1.00 0.00 H new ATOM 0 HB2 GLN A 10 8.250 2.333 8.937 1.00 0.00 H new ATOM 0 HB3 GLN A 10 7.037 3.142 7.966 1.00 0.00 H new ATOM 0 HG2 GLN A 10 8.047 1.710 6.431 1.00 0.00 H new ATOM 0 HG3 GLN A 10 8.847 3.237 6.112 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.985 3.115 5.853 1.00 0.00 H new ATOM 0 HE22 GLN A 10 12.046 1.924 6.613 1.00 0.00 H new ATOM 119 N PHE A 11 6.785 5.851 8.806 1.00 0.00 N ATOM 120 CA PHE A 11 5.794 6.611 9.558 1.00 0.00 C ATOM 121 C PHE A 11 4.384 6.106 9.263 1.00 0.00 C ATOM 122 O PHE A 11 3.634 5.759 10.175 1.00 0.00 O ATOM 123 CB PHE A 11 5.897 8.099 9.220 1.00 0.00 C ATOM 124 CG PHE A 11 6.899 8.837 10.060 1.00 0.00 C ATOM 125 CD1 PHE A 11 6.693 9.007 11.420 1.00 0.00 C ATOM 126 CD2 PHE A 11 8.049 9.361 9.490 1.00 0.00 C ATOM 127 CE1 PHE A 11 7.614 9.684 12.196 1.00 0.00 C ATOM 128 CE2 PHE A 11 8.973 10.040 10.262 1.00 0.00 C ATOM 129 CZ PHE A 11 8.755 10.203 11.616 1.00 0.00 C ATOM 0 H PHE A 11 6.690 5.921 7.793 1.00 0.00 H new ATOM 0 HA PHE A 11 5.996 6.473 10.620 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.166 8.207 8.169 1.00 0.00 H new ATOM 0 HB3 PHE A 11 4.918 8.561 9.347 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.802 8.605 11.879 1.00 0.00 H new ATOM 0 HD2 PHE A 11 8.225 9.237 8.432 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.442 9.807 13.255 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.865 10.443 9.806 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.475 10.735 12.220 1.00 0.00 H new ATOM 139 N MET A 12 4.031 6.071 7.982 1.00 0.00 N ATOM 140 CA MET A 12 2.712 5.609 7.566 1.00 0.00 C ATOM 141 C MET A 12 2.775 4.948 6.193 1.00 0.00 C ATOM 142 O MET A 12 3.079 5.599 5.194 1.00 0.00 O ATOM 143 CB MET A 12 1.725 6.778 7.537 1.00 0.00 C ATOM 144 CG MET A 12 1.178 7.144 8.907 1.00 0.00 C ATOM 145 SD MET A 12 0.316 5.774 9.701 1.00 0.00 S ATOM 146 CE MET A 12 -0.980 6.651 10.574 1.00 0.00 C ATOM 0 H MET A 12 4.639 6.357 7.215 1.00 0.00 H new ATOM 0 HA MET A 12 2.369 4.870 8.290 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.219 7.649 7.107 1.00 0.00 H new ATOM 0 HB3 MET A 12 0.894 6.525 6.878 1.00 0.00 H new ATOM 0 HG2 MET A 12 1.999 7.471 9.546 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.496 7.988 8.808 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.601 5.938 11.116 1.00 0.00 H new ATOM 0 HE2 MET A 12 -0.534 7.352 11.279 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.595 7.197 9.859 1.00 0.00 H new ATOM 156 N ASN A 13 2.487 3.652 6.151 1.00 0.00 N ATOM 157 CA ASN A 13 2.513 2.903 4.900 1.00 0.00 C ATOM 158 C ASN A 13 1.098 2.655 4.385 1.00 0.00 C ATOM 159 O ASN A 13 0.399 1.761 4.865 1.00 0.00 O ATOM 160 CB ASN A 13 3.238 1.569 5.094 1.00 0.00 C ATOM 161 CG ASN A 13 3.596 0.909 3.776 1.00 0.00 C ATOM 162 OD1 ASN A 13 2.726 0.405 3.065 1.00 0.00 O ATOM 163 ND2 ASN A 13 4.882 0.908 3.445 1.00 0.00 N ATOM 0 H ASN A 13 2.233 3.098 6.969 1.00 0.00 H new ATOM 0 HA ASN A 13 3.051 3.497 4.161 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.146 1.733 5.674 1.00 0.00 H new ATOM 0 HB3 ASN A 13 2.607 0.896 5.674 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.183 0.478 2.571 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.569 1.338 4.065 1.00 0.00 H new ATOM 170 N VAL A 14 0.682 3.451 3.405 1.00 0.00 N ATOM 171 CA VAL A 14 -0.649 3.317 2.824 1.00 0.00 C ATOM 172 C VAL A 14 -0.659 2.277 1.709 1.00 0.00 C ATOM 173 O VAL A 14 0.356 1.638 1.434 1.00 0.00 O ATOM 174 CB VAL A 14 -1.154 4.660 2.264 1.00 0.00 C ATOM 175 CG1 VAL A 14 -1.403 5.649 3.391 1.00 0.00 C ATOM 176 CG2 VAL A 14 -0.162 5.224 1.258 1.00 0.00 C ATOM 0 H VAL A 14 1.247 4.195 2.997 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.314 2.993 3.625 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.099 4.487 1.750 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.759 6.592 2.976 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.154 5.245 4.070 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.475 5.820 3.936 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.535 6.173 0.872 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.800 5.383 1.745 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.039 4.521 0.434 1.00 0.00 H new ATOM 186 N TRP A 15 -1.812 2.114 1.071 1.00 0.00 N ATOM 187 CA TRP A 15 -1.955 1.151 -0.015 1.00 0.00 C ATOM 188 C TRP A 15 -2.253 1.858 -1.333 1.00 0.00 C ATOM 189 O TRP A 15 -3.156 2.692 -1.412 1.00 0.00 O ATOM 190 CB TRP A 15 -3.067 0.151 0.305 1.00 0.00 C ATOM 191 CG TRP A 15 -2.655 -0.900 1.291 1.00 0.00 C ATOM 192 CD1 TRP A 15 -2.447 -0.731 2.630 1.00 0.00 C ATOM 193 CD2 TRP A 15 -2.399 -2.281 1.014 1.00 0.00 C ATOM 194 NE1 TRP A 15 -2.078 -1.924 3.203 1.00 0.00 N ATOM 195 CE2 TRP A 15 -2.042 -2.891 2.233 1.00 0.00 C ATOM 196 CE3 TRP A 15 -2.440 -3.063 -0.143 1.00 0.00 C ATOM 197 CZ2 TRP A 15 -1.726 -4.244 2.323 1.00 0.00 C ATOM 198 CZ3 TRP A 15 -2.126 -4.405 -0.052 1.00 0.00 C ATOM 199 CH2 TRP A 15 -1.773 -4.985 1.174 1.00 0.00 C ATOM 0 H TRP A 15 -2.661 2.636 1.287 1.00 0.00 H new ATOM 0 HA TRP A 15 -1.012 0.614 -0.117 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -3.929 0.690 0.698 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -3.388 -0.332 -0.618 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -2.556 0.203 3.161 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -1.865 -2.067 4.190 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -2.713 -2.626 -1.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -1.453 -4.693 3.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -2.153 -5.018 -0.941 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -1.533 -6.037 1.212 1.00 0.00 H new ATOM 210 N THR A 16 -1.490 1.519 -2.367 1.00 0.00 N ATOM 211 CA THR A 16 -1.673 2.122 -3.682 1.00 0.00 C ATOM 212 C THR A 16 -2.438 1.188 -4.613 1.00 0.00 C ATOM 213 O THR A 16 -2.577 -0.003 -4.337 1.00 0.00 O ATOM 214 CB THR A 16 -0.321 2.479 -4.329 1.00 0.00 C ATOM 215 OG1 THR A 16 0.624 1.428 -4.100 1.00 0.00 O ATOM 216 CG2 THR A 16 0.220 3.785 -3.767 1.00 0.00 C ATOM 0 H THR A 16 -0.739 0.830 -2.320 1.00 0.00 H new ATOM 0 HA THR A 16 -2.249 3.035 -3.534 1.00 0.00 H new ATOM 0 HB THR A 16 -0.477 2.600 -5.401 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.899 1.435 -3.159 1.00 0.00 H new ATOM 0 HG21 THR A 16 1.175 4.016 -4.239 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.488 4.589 -3.968 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.361 3.687 -2.691 1.00 0.00 H new ATOM 224 N ASP A 17 -2.933 1.738 -5.717 1.00 0.00 N ATOM 225 CA ASP A 17 -3.683 0.954 -6.691 1.00 0.00 C ATOM 226 C ASP A 17 -2.938 -0.329 -7.046 1.00 0.00 C ATOM 227 O ASP A 17 -3.449 -1.432 -6.849 1.00 0.00 O ATOM 228 CB ASP A 17 -3.937 1.777 -7.954 1.00 0.00 C ATOM 229 CG ASP A 17 -5.145 1.289 -8.731 1.00 0.00 C ATOM 230 OD1 ASP A 17 -5.386 0.064 -8.743 1.00 0.00 O ATOM 231 OD2 ASP A 17 -5.847 2.132 -9.327 1.00 0.00 O ATOM 0 H ASP A 17 -2.828 2.723 -5.959 1.00 0.00 H new ATOM 0 HA ASP A 17 -4.640 0.685 -6.244 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.083 2.822 -7.680 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.056 1.736 -8.594 1.00 0.00 H new ATOM 236 N HIS A 18 -1.726 -0.177 -7.572 1.00 0.00 N ATOM 237 CA HIS A 18 -0.910 -1.323 -7.956 1.00 0.00 C ATOM 238 C HIS A 18 -0.910 -2.382 -6.858 1.00 0.00 C ATOM 239 O HIS A 18 -1.533 -3.434 -6.997 1.00 0.00 O ATOM 240 CB HIS A 18 0.522 -0.879 -8.254 1.00 0.00 C ATOM 241 CG HIS A 18 0.664 -0.141 -9.549 1.00 0.00 C ATOM 242 ND1 HIS A 18 -0.164 0.898 -9.917 1.00 0.00 N ATOM 243 CD2 HIS A 18 1.545 -0.295 -10.564 1.00 0.00 C ATOM 244 CE1 HIS A 18 0.201 1.351 -11.103 1.00 0.00 C ATOM 245 NE2 HIS A 18 1.236 0.644 -11.518 1.00 0.00 N ATOM 0 H HIS A 18 -1.288 0.728 -7.742 1.00 0.00 H new ATOM 0 HA HIS A 18 -1.341 -1.760 -8.857 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.872 -0.242 -7.442 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.169 -1.756 -8.273 1.00 0.00 H new ATOM 0 HD2 HIS A 18 2.343 -1.021 -10.615 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.267 2.162 -11.641 1.00 0.00 H new ATOM 0 HE2 HIS A 18 1.726 0.774 -12.403 1.00 0.00 H new ATOM 253 N GLU A 19 -0.206 -2.096 -5.767 1.00 0.00 N ATOM 254 CA GLU A 19 -0.124 -3.025 -4.646 1.00 0.00 C ATOM 255 C GLU A 19 -1.448 -3.757 -4.448 1.00 0.00 C ATOM 256 O GLU A 19 -1.481 -4.981 -4.319 1.00 0.00 O ATOM 257 CB GLU A 19 0.257 -2.280 -3.364 1.00 0.00 C ATOM 258 CG GLU A 19 1.597 -1.569 -3.449 1.00 0.00 C ATOM 259 CD GLU A 19 1.913 -0.771 -2.199 1.00 0.00 C ATOM 260 OE1 GLU A 19 1.232 0.248 -1.958 1.00 0.00 O ATOM 261 OE2 GLU A 19 2.841 -1.164 -1.462 1.00 0.00 O ATOM 0 H GLU A 19 0.315 -1.229 -5.636 1.00 0.00 H new ATOM 0 HA GLU A 19 0.647 -3.761 -4.873 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.519 -1.549 -3.134 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.283 -2.988 -2.536 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.384 -2.304 -3.615 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.596 -0.902 -4.311 1.00 0.00 H new ATOM 268 N LYS A 20 -2.539 -2.999 -4.425 1.00 0.00 N ATOM 269 CA LYS A 20 -3.867 -3.573 -4.243 1.00 0.00 C ATOM 270 C LYS A 20 -4.187 -4.564 -5.357 1.00 0.00 C ATOM 271 O LYS A 20 -4.612 -5.689 -5.095 1.00 0.00 O ATOM 272 CB LYS A 20 -4.923 -2.466 -4.211 1.00 0.00 C ATOM 273 CG LYS A 20 -5.083 -1.818 -2.847 1.00 0.00 C ATOM 274 CD LYS A 20 -6.068 -0.661 -2.892 1.00 0.00 C ATOM 275 CE LYS A 20 -5.378 0.644 -3.260 1.00 0.00 C ATOM 276 NZ LYS A 20 -6.359 1.724 -3.559 1.00 0.00 N ATOM 0 H LYS A 20 -2.530 -1.984 -4.530 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.879 -4.105 -3.292 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.656 -1.700 -4.939 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.882 -2.881 -4.522 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.426 -2.562 -2.128 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.115 -1.460 -2.497 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.852 -0.877 -3.618 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.553 -0.556 -1.921 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.732 0.957 -2.440 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.738 0.484 -4.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.850 2.597 -3.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.959 1.436 -4.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.954 1.894 -2.723 1.00 0.00 H new ATOM 290 N GLU A 21 -3.979 -4.141 -6.600 1.00 0.00 N ATOM 291 CA GLU A 21 -4.246 -4.992 -7.752 1.00 0.00 C ATOM 292 C GLU A 21 -3.720 -6.405 -7.518 1.00 0.00 C ATOM 293 O GLU A 21 -4.431 -7.387 -7.732 1.00 0.00 O ATOM 294 CB GLU A 21 -3.608 -4.400 -9.011 1.00 0.00 C ATOM 295 CG GLU A 21 -4.276 -3.122 -9.489 1.00 0.00 C ATOM 296 CD GLU A 21 -3.775 -2.674 -10.848 1.00 0.00 C ATOM 297 OE1 GLU A 21 -2.541 -2.598 -11.029 1.00 0.00 O ATOM 298 OE2 GLU A 21 -4.615 -2.401 -11.731 1.00 0.00 O ATOM 0 H GLU A 21 -3.626 -3.213 -6.834 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.326 -5.043 -7.891 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.555 -4.198 -8.814 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.646 -5.141 -9.810 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.354 -3.276 -9.536 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.099 -2.330 -8.762 1.00 0.00 H new ATOM 305 N ILE A 22 -2.470 -6.498 -7.078 1.00 0.00 N ATOM 306 CA ILE A 22 -1.848 -7.790 -6.814 1.00 0.00 C ATOM 307 C ILE A 22 -2.579 -8.536 -5.703 1.00 0.00 C ATOM 308 O ILE A 22 -3.194 -9.576 -5.940 1.00 0.00 O ATOM 309 CB ILE A 22 -0.367 -7.632 -6.422 1.00 0.00 C ATOM 310 CG1 ILE A 22 0.413 -6.954 -7.551 1.00 0.00 C ATOM 311 CG2 ILE A 22 0.241 -8.987 -6.091 1.00 0.00 C ATOM 312 CD1 ILE A 22 0.367 -5.443 -7.493 1.00 0.00 C ATOM 0 H ILE A 22 -1.868 -5.695 -6.897 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.912 -8.365 -7.738 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.307 -7.002 -5.535 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.452 -7.280 -7.511 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.012 -7.285 -8.509 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.288 -8.859 -5.816 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.301 -9.435 -5.258 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.172 -9.639 -6.962 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.940 -5.029 -8.323 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.668 -5.107 -7.564 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.795 -5.102 -6.550 1.00 0.00 H new ATOM 324 N PHE A 23 -2.510 -7.997 -4.491 1.00 0.00 N ATOM 325 CA PHE A 23 -3.167 -8.611 -3.342 1.00 0.00 C ATOM 326 C PHE A 23 -4.489 -9.253 -3.751 1.00 0.00 C ATOM 327 O PHE A 23 -4.772 -10.399 -3.396 1.00 0.00 O ATOM 328 CB PHE A 23 -3.411 -7.567 -2.250 1.00 0.00 C ATOM 329 CG PHE A 23 -4.013 -8.139 -0.999 1.00 0.00 C ATOM 330 CD1 PHE A 23 -5.329 -8.575 -0.984 1.00 0.00 C ATOM 331 CD2 PHE A 23 -3.264 -8.241 0.162 1.00 0.00 C ATOM 332 CE1 PHE A 23 -5.886 -9.101 0.167 1.00 0.00 C ATOM 333 CE2 PHE A 23 -3.816 -8.767 1.316 1.00 0.00 C ATOM 334 CZ PHE A 23 -5.128 -9.198 1.317 1.00 0.00 C ATOM 0 H PHE A 23 -2.006 -7.136 -4.278 1.00 0.00 H new ATOM 0 HA PHE A 23 -2.511 -9.389 -2.952 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.466 -7.085 -2.001 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.071 -6.792 -2.640 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -5.926 -8.503 -1.881 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.237 -7.906 0.166 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -6.913 -9.436 0.167 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -3.222 -8.841 2.215 1.00 0.00 H new ATOM 0 HZ PHE A 23 -5.561 -9.611 2.216 1.00 0.00 H new ATOM 344 N LYS A 24 -5.295 -8.510 -4.500 1.00 0.00 N ATOM 345 CA LYS A 24 -6.587 -9.004 -4.959 1.00 0.00 C ATOM 346 C LYS A 24 -6.464 -10.425 -5.499 1.00 0.00 C ATOM 347 O LYS A 24 -7.040 -11.362 -4.945 1.00 0.00 O ATOM 348 CB LYS A 24 -7.154 -8.083 -6.042 1.00 0.00 C ATOM 349 CG LYS A 24 -8.527 -8.503 -6.540 1.00 0.00 C ATOM 350 CD LYS A 24 -8.802 -7.965 -7.934 1.00 0.00 C ATOM 351 CE LYS A 24 -9.813 -8.828 -8.675 1.00 0.00 C ATOM 352 NZ LYS A 24 -11.214 -8.460 -8.329 1.00 0.00 N ATOM 0 H LYS A 24 -5.076 -7.561 -4.803 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.267 -9.014 -4.108 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.214 -7.068 -5.649 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.463 -8.058 -6.885 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.595 -9.591 -6.549 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.291 -8.141 -5.852 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.176 -6.944 -7.864 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.871 -7.925 -8.500 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.664 -8.721 -9.749 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.642 -9.877 -8.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.873 -9.070 -8.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.364 -8.586 -7.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.385 -7.466 -8.584 1.00 0.00 H new ATOM 366 N ASP A 25 -5.710 -10.580 -6.582 1.00 0.00 N ATOM 367 CA ASP A 25 -5.510 -11.887 -7.195 1.00 0.00 C ATOM 368 C ASP A 25 -4.894 -12.865 -6.200 1.00 0.00 C ATOM 369 O ASP A 25 -5.288 -14.030 -6.132 1.00 0.00 O ATOM 370 CB ASP A 25 -4.614 -11.764 -8.429 1.00 0.00 C ATOM 371 CG ASP A 25 -4.818 -12.903 -9.409 1.00 0.00 C ATOM 372 OD1 ASP A 25 -5.865 -12.917 -10.089 1.00 0.00 O ATOM 373 OD2 ASP A 25 -3.932 -13.778 -9.495 1.00 0.00 O ATOM 0 H ASP A 25 -5.227 -9.815 -7.054 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.484 -12.271 -7.499 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.818 -10.817 -8.929 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.570 -11.741 -8.116 1.00 0.00 H new ATOM 378 N LYS A 26 -3.924 -12.385 -5.429 1.00 0.00 N ATOM 379 CA LYS A 26 -3.253 -13.215 -4.436 1.00 0.00 C ATOM 380 C LYS A 26 -4.265 -13.882 -3.510 1.00 0.00 C ATOM 381 O LYS A 26 -4.169 -15.076 -3.226 1.00 0.00 O ATOM 382 CB LYS A 26 -2.272 -12.375 -3.616 1.00 0.00 C ATOM 383 CG LYS A 26 -1.294 -11.580 -4.465 1.00 0.00 C ATOM 384 CD LYS A 26 -0.009 -12.354 -4.706 1.00 0.00 C ATOM 385 CE LYS A 26 -0.114 -13.238 -5.940 1.00 0.00 C ATOM 386 NZ LYS A 26 -0.596 -14.606 -5.604 1.00 0.00 N ATOM 0 H LYS A 26 -3.585 -11.424 -5.473 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.702 -13.993 -4.964 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.835 -11.687 -2.985 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.712 -13.032 -2.951 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.757 -11.334 -5.421 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.064 -10.636 -3.970 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.820 -11.657 -4.826 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.216 -12.969 -3.835 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.794 -12.780 -6.658 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.861 -13.305 -6.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.312 -14.902 -6.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.203 -15.271 -5.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.016 -14.602 -4.653 1.00 0.00 H new ATOM 400 N PHE A 27 -5.235 -13.104 -3.043 1.00 0.00 N ATOM 401 CA PHE A 27 -6.266 -13.620 -2.149 1.00 0.00 C ATOM 402 C PHE A 27 -6.980 -14.813 -2.775 1.00 0.00 C ATOM 403 O PHE A 27 -6.991 -15.908 -2.210 1.00 0.00 O ATOM 404 CB PHE A 27 -7.279 -12.521 -1.818 1.00 0.00 C ATOM 405 CG PHE A 27 -8.312 -12.943 -0.813 1.00 0.00 C ATOM 406 CD1 PHE A 27 -9.487 -13.554 -1.222 1.00 0.00 C ATOM 407 CD2 PHE A 27 -8.109 -12.731 0.541 1.00 0.00 C ATOM 408 CE1 PHE A 27 -10.440 -13.941 -0.299 1.00 0.00 C ATOM 409 CE2 PHE A 27 -9.058 -13.116 1.469 1.00 0.00 C ATOM 410 CZ PHE A 27 -10.225 -13.724 1.048 1.00 0.00 C ATOM 0 H PHE A 27 -5.329 -12.114 -3.268 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.783 -13.950 -1.229 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.747 -11.650 -1.436 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.780 -12.212 -2.735 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -9.660 -13.730 -2.274 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.197 -12.259 0.876 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -11.353 -14.413 -0.631 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.888 -12.942 2.521 1.00 0.00 H new ATOM 0 HZ PHE A 27 -10.968 -14.029 1.771 1.00 0.00 H new ATOM 420 N ILE A 28 -7.575 -14.594 -3.942 1.00 0.00 N ATOM 421 CA ILE A 28 -8.291 -15.653 -4.644 1.00 0.00 C ATOM 422 C ILE A 28 -7.474 -16.939 -4.679 1.00 0.00 C ATOM 423 O ILE A 28 -7.968 -18.009 -4.324 1.00 0.00 O ATOM 424 CB ILE A 28 -8.636 -15.238 -6.087 1.00 0.00 C ATOM 425 CG1 ILE A 28 -9.586 -14.038 -6.082 1.00 0.00 C ATOM 426 CG2 ILE A 28 -9.252 -16.406 -6.841 1.00 0.00 C ATOM 427 CD1 ILE A 28 -9.561 -13.243 -7.368 1.00 0.00 C ATOM 0 H ILE A 28 -7.576 -13.694 -4.422 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.215 -15.828 -4.093 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.717 -14.948 -6.596 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.602 -14.390 -5.901 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.324 -13.381 -5.253 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -9.490 -16.097 -7.859 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.544 -17.234 -6.870 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -10.164 -16.725 -6.336 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -10.258 -12.408 -7.293 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.555 -12.861 -7.540 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -9.852 -13.886 -8.199 1.00 0.00 H new ATOM 439 N GLN A 29 -6.221 -16.827 -5.109 1.00 0.00 N ATOM 440 CA GLN A 29 -5.335 -17.983 -5.188 1.00 0.00 C ATOM 441 C GLN A 29 -5.203 -18.663 -3.830 1.00 0.00 C ATOM 442 O GLN A 29 -5.536 -19.838 -3.677 1.00 0.00 O ATOM 443 CB GLN A 29 -3.956 -17.561 -5.696 1.00 0.00 C ATOM 444 CG GLN A 29 -3.983 -16.931 -7.079 1.00 0.00 C ATOM 445 CD GLN A 29 -4.047 -17.960 -8.189 1.00 0.00 C ATOM 446 OE1 GLN A 29 -4.606 -19.043 -8.015 1.00 0.00 O ATOM 447 NE2 GLN A 29 -3.473 -17.628 -9.340 1.00 0.00 N ATOM 0 H GLN A 29 -5.797 -15.949 -5.408 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.771 -18.695 -5.889 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.520 -16.853 -4.992 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -3.303 -18.433 -5.716 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.844 -16.267 -7.155 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.093 -16.315 -7.211 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.021 -16.719 -9.441 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.485 -18.282 -10.123 1.00 0.00 H new ATOM 456 N HIS A 30 -4.715 -17.917 -2.844 1.00 0.00 N ATOM 457 CA HIS A 30 -4.539 -18.448 -1.497 1.00 0.00 C ATOM 458 C HIS A 30 -5.181 -17.528 -0.463 1.00 0.00 C ATOM 459 O HIS A 30 -4.520 -16.691 0.155 1.00 0.00 O ATOM 460 CB HIS A 30 -3.053 -18.625 -1.187 1.00 0.00 C ATOM 461 CG HIS A 30 -2.174 -17.622 -1.866 1.00 0.00 C ATOM 462 ND1 HIS A 30 -1.696 -16.430 -1.437 1.00 0.00 N flip ATOM 463 CD2 HIS A 30 -1.688 -17.790 -3.145 1.00 0.00 C flip ATOM 464 CE1 HIS A 30 -0.936 -15.906 -2.453 1.00 0.00 C flip ATOM 465 NE2 HIS A 30 -0.947 -16.747 -3.473 1.00 0.00 N flip ATOM 0 H HIS A 30 -4.434 -16.942 -2.953 1.00 0.00 H new ATOM 0 HA HIS A 30 -5.031 -19.420 -1.448 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -2.905 -18.555 -0.109 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.745 -19.627 -1.486 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -1.869 -16.001 -0.528 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -1.883 -18.642 -3.780 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -0.414 -14.961 -2.424 1.00 0.00 H new ATOM 473 N PRO A 31 -6.499 -17.681 -0.268 1.00 0.00 N ATOM 474 CA PRO A 31 -7.258 -16.874 0.691 1.00 0.00 C ATOM 475 C PRO A 31 -6.906 -17.208 2.137 1.00 0.00 C ATOM 476 O PRO A 31 -6.620 -18.358 2.468 1.00 0.00 O ATOM 477 CB PRO A 31 -8.713 -17.245 0.395 1.00 0.00 C ATOM 478 CG PRO A 31 -8.641 -18.610 -0.201 1.00 0.00 C ATOM 479 CD PRO A 31 -7.349 -18.659 -0.969 1.00 0.00 C ATOM 0 HA PRO A 31 -7.046 -15.810 0.586 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -9.316 -17.241 1.303 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -9.170 -16.535 -0.294 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.663 -19.376 0.574 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -9.492 -18.795 -0.857 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.910 -19.657 -0.954 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.493 -18.390 -2.015 1.00 0.00 H new ATOM 487 N LYS A 32 -6.928 -16.194 2.995 1.00 0.00 N ATOM 488 CA LYS A 32 -6.613 -16.378 4.407 1.00 0.00 C ATOM 489 C LYS A 32 -5.179 -16.868 4.585 1.00 0.00 C ATOM 490 O LYS A 32 -4.874 -17.596 5.528 1.00 0.00 O ATOM 491 CB LYS A 32 -7.585 -17.375 5.041 1.00 0.00 C ATOM 492 CG LYS A 32 -8.987 -16.823 5.229 1.00 0.00 C ATOM 493 CD LYS A 32 -9.674 -17.441 6.434 1.00 0.00 C ATOM 494 CE LYS A 32 -10.977 -16.728 6.762 1.00 0.00 C ATOM 495 NZ LYS A 32 -11.415 -16.986 8.161 1.00 0.00 N ATOM 0 H LYS A 32 -7.161 -15.235 2.737 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.714 -15.414 4.905 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.636 -18.267 4.417 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.193 -17.686 6.010 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.939 -15.741 5.352 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.578 -17.016 4.334 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.874 -18.495 6.239 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.008 -17.397 7.296 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.851 -15.656 6.613 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.754 -17.057 6.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.306 -16.482 8.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.560 -18.007 8.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.685 -16.649 8.821 1.00 0.00 H new ATOM 509 N ASN A 33 -4.302 -16.459 3.673 1.00 0.00 N ATOM 510 CA ASN A 33 -2.900 -16.856 3.730 1.00 0.00 C ATOM 511 C ASN A 33 -1.989 -15.632 3.739 1.00 0.00 C ATOM 512 O ASN A 33 -1.066 -15.526 2.931 1.00 0.00 O ATOM 513 CB ASN A 33 -2.553 -17.754 2.542 1.00 0.00 C ATOM 514 CG ASN A 33 -2.864 -19.215 2.811 1.00 0.00 C ATOM 515 OD1 ASN A 33 -3.672 -19.538 3.681 1.00 0.00 O ATOM 516 ND2 ASN A 33 -2.222 -20.104 2.062 1.00 0.00 N ATOM 0 H ASN A 33 -4.538 -15.854 2.887 1.00 0.00 H new ATOM 0 HA ASN A 33 -2.743 -17.412 4.654 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -3.109 -17.423 1.665 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.494 -17.648 2.307 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.391 -21.101 2.197 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.560 -19.790 1.352 1.00 0.00 H new ATOM 523 N PHE A 34 -2.254 -14.710 4.660 1.00 0.00 N ATOM 524 CA PHE A 34 -1.459 -13.495 4.775 1.00 0.00 C ATOM 525 C PHE A 34 0.032 -13.807 4.683 1.00 0.00 C ATOM 526 O PHE A 34 0.828 -12.974 4.256 1.00 0.00 O ATOM 527 CB PHE A 34 -1.762 -12.785 6.096 1.00 0.00 C ATOM 528 CG PHE A 34 -3.199 -12.373 6.239 1.00 0.00 C ATOM 529 CD1 PHE A 34 -3.798 -11.556 5.294 1.00 0.00 C ATOM 530 CD2 PHE A 34 -3.953 -12.804 7.319 1.00 0.00 C ATOM 531 CE1 PHE A 34 -5.120 -11.175 5.422 1.00 0.00 C ATOM 532 CE2 PHE A 34 -5.276 -12.427 7.453 1.00 0.00 C ATOM 533 CZ PHE A 34 -5.860 -11.611 6.504 1.00 0.00 C ATOM 0 H PHE A 34 -3.014 -14.783 5.337 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.726 -12.838 3.947 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.497 -13.444 6.923 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.129 -11.901 6.178 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.224 -11.212 4.446 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.502 -13.442 8.065 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.574 -10.538 4.678 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -5.853 -12.770 8.299 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.893 -11.314 6.608 1.00 0.00 H new ATOM 543 N GLY A 35 0.402 -15.019 5.090 1.00 0.00 N ATOM 544 CA GLY A 35 1.795 -15.422 5.047 1.00 0.00 C ATOM 545 C GLY A 35 2.316 -15.561 3.630 1.00 0.00 C ATOM 546 O GLY A 35 3.388 -15.052 3.302 1.00 0.00 O ATOM 0 H GLY A 35 -0.238 -15.728 5.448 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.399 -14.689 5.582 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.911 -16.372 5.568 1.00 0.00 H new ATOM 550 N LEU A 36 1.556 -16.252 2.788 1.00 0.00 N ATOM 551 CA LEU A 36 1.947 -16.458 1.398 1.00 0.00 C ATOM 552 C LEU A 36 1.852 -15.158 0.607 1.00 0.00 C ATOM 553 O LEU A 36 2.777 -14.792 -0.119 1.00 0.00 O ATOM 554 CB LEU A 36 1.064 -17.528 0.752 1.00 0.00 C ATOM 555 CG LEU A 36 1.714 -18.354 -0.357 1.00 0.00 C ATOM 556 CD1 LEU A 36 2.792 -19.262 0.215 1.00 0.00 C ATOM 557 CD2 LEU A 36 0.665 -19.173 -1.097 1.00 0.00 C ATOM 0 H LEU A 36 0.666 -16.679 3.043 1.00 0.00 H new ATOM 0 HA LEU A 36 2.984 -16.795 1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.723 -18.209 1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.178 -17.042 0.344 1.00 0.00 H new ATOM 0 HG LEU A 36 2.181 -17.670 -1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.244 -19.842 -0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.558 -18.657 0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.348 -19.939 0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.146 -19.755 -1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.170 -19.847 -0.398 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.073 -18.504 -1.540 1.00 0.00 H new ATOM 569 N ILE A 37 0.730 -14.462 0.755 1.00 0.00 N ATOM 570 CA ILE A 37 0.516 -13.201 0.057 1.00 0.00 C ATOM 571 C ILE A 37 1.667 -12.233 0.306 1.00 0.00 C ATOM 572 O ILE A 37 2.297 -11.747 -0.633 1.00 0.00 O ATOM 573 CB ILE A 37 -0.803 -12.535 0.489 1.00 0.00 C ATOM 574 CG1 ILE A 37 -1.973 -13.504 0.309 1.00 0.00 C ATOM 575 CG2 ILE A 37 -1.039 -11.260 -0.306 1.00 0.00 C ATOM 576 CD1 ILE A 37 -3.302 -12.938 0.757 1.00 0.00 C ATOM 0 H ILE A 37 -0.045 -14.750 1.352 1.00 0.00 H new ATOM 0 HA ILE A 37 0.464 -13.434 -1.007 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.731 -12.274 1.545 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.043 -13.785 -0.742 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.768 -14.416 0.870 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.975 -10.801 0.011 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.217 -10.565 -0.132 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.094 -11.498 -1.368 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -4.085 -13.680 0.600 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.251 -12.683 1.816 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.530 -12.042 0.179 1.00 0.00 H new ATOM 588 N ALA A 38 1.937 -11.958 1.578 1.00 0.00 N ATOM 589 CA ALA A 38 3.016 -11.052 1.952 1.00 0.00 C ATOM 590 C ALA A 38 4.308 -11.405 1.223 1.00 0.00 C ATOM 591 O ALA A 38 4.997 -10.528 0.702 1.00 0.00 O ATOM 592 CB ALA A 38 3.232 -11.080 3.457 1.00 0.00 C ATOM 0 H ALA A 38 1.423 -12.350 2.367 1.00 0.00 H new ATOM 0 HA ALA A 38 2.728 -10.043 1.657 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.041 -10.399 3.721 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.317 -10.770 3.962 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.493 -12.091 3.768 1.00 0.00 H new ATOM 598 N SER A 39 4.629 -12.693 1.190 1.00 0.00 N ATOM 599 CA SER A 39 5.842 -13.163 0.528 1.00 0.00 C ATOM 600 C SER A 39 6.056 -12.431 -0.794 1.00 0.00 C ATOM 601 O SER A 39 7.160 -11.976 -1.092 1.00 0.00 O ATOM 602 CB SER A 39 5.764 -14.670 0.284 1.00 0.00 C ATOM 603 OG SER A 39 7.046 -15.210 0.012 1.00 0.00 O ATOM 0 H SER A 39 4.067 -13.431 1.614 1.00 0.00 H new ATOM 0 HA SER A 39 6.689 -12.953 1.181 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.337 -15.161 1.158 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.096 -14.872 -0.553 1.00 0.00 H new ATOM 0 HG SER A 39 6.969 -16.175 -0.139 1.00 0.00 H new ATOM 609 N TYR A 40 4.992 -12.325 -1.582 1.00 0.00 N ATOM 610 CA TYR A 40 5.063 -11.653 -2.874 1.00 0.00 C ATOM 611 C TYR A 40 5.523 -10.207 -2.711 1.00 0.00 C ATOM 612 O TYR A 40 6.560 -9.809 -3.243 1.00 0.00 O ATOM 613 CB TYR A 40 3.700 -11.691 -3.568 1.00 0.00 C ATOM 614 CG TYR A 40 3.273 -13.078 -3.988 1.00 0.00 C ATOM 615 CD1 TYR A 40 2.650 -13.936 -3.092 1.00 0.00 C ATOM 616 CD2 TYR A 40 3.493 -13.530 -5.284 1.00 0.00 C ATOM 617 CE1 TYR A 40 2.259 -15.207 -3.472 1.00 0.00 C ATOM 618 CE2 TYR A 40 3.104 -14.797 -5.673 1.00 0.00 C ATOM 619 CZ TYR A 40 2.488 -15.632 -4.764 1.00 0.00 C ATOM 620 OH TYR A 40 2.099 -16.896 -5.147 1.00 0.00 O ATOM 0 H TYR A 40 4.071 -12.696 -1.349 1.00 0.00 H new ATOM 0 HA TYR A 40 5.792 -12.180 -3.490 1.00 0.00 H new ATOM 0 HB2 TYR A 40 2.948 -11.276 -2.897 1.00 0.00 H new ATOM 0 HB3 TYR A 40 3.731 -11.048 -4.447 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.467 -13.605 -2.080 1.00 0.00 H new ATOM 0 HD2 TYR A 40 3.976 -12.880 -5.998 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.777 -15.863 -2.762 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.281 -15.132 -6.684 1.00 0.00 H new ATOM 0 HH TYR A 40 1.215 -17.094 -4.772 1.00 0.00 H new ATOM 630 N LEU A 41 4.745 -9.424 -1.971 1.00 0.00 N ATOM 631 CA LEU A 41 5.071 -8.023 -1.736 1.00 0.00 C ATOM 632 C LEU A 41 6.281 -7.891 -0.817 1.00 0.00 C ATOM 633 O LEU A 41 6.451 -8.677 0.116 1.00 0.00 O ATOM 634 CB LEU A 41 3.871 -7.294 -1.126 1.00 0.00 C ATOM 635 CG LEU A 41 2.567 -7.368 -1.920 1.00 0.00 C ATOM 636 CD1 LEU A 41 1.753 -8.583 -1.497 1.00 0.00 C ATOM 637 CD2 LEU A 41 1.759 -6.092 -1.738 1.00 0.00 C ATOM 0 H LEU A 41 3.883 -9.737 -1.523 1.00 0.00 H new ATOM 0 HA LEU A 41 5.316 -7.568 -2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.691 -7.702 -0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.136 -6.244 -0.997 1.00 0.00 H new ATOM 0 HG LEU A 41 2.812 -7.471 -2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.828 -8.620 -2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.330 -9.489 -1.680 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.517 -8.511 -0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.834 -6.162 -2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.523 -5.958 -0.682 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.340 -5.240 -2.091 1.00 0.00 H new ATOM 649 N GLU A 42 7.117 -6.893 -1.086 1.00 0.00 N ATOM 650 CA GLU A 42 8.310 -6.660 -0.281 1.00 0.00 C ATOM 651 C GLU A 42 8.093 -5.503 0.691 1.00 0.00 C ATOM 652 O GLU A 42 8.795 -5.383 1.696 1.00 0.00 O ATOM 653 CB GLU A 42 9.511 -6.364 -1.183 1.00 0.00 C ATOM 654 CG GLU A 42 9.467 -4.987 -1.823 1.00 0.00 C ATOM 655 CD GLU A 42 10.126 -3.924 -0.966 1.00 0.00 C ATOM 656 OE1 GLU A 42 10.318 -4.172 0.243 1.00 0.00 O ATOM 657 OE2 GLU A 42 10.450 -2.844 -1.503 1.00 0.00 O ATOM 0 H GLU A 42 6.990 -6.234 -1.854 1.00 0.00 H new ATOM 0 HA GLU A 42 8.511 -7.563 0.295 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.426 -6.454 -0.597 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.560 -7.119 -1.968 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.963 -5.025 -2.793 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.429 -4.709 -2.006 1.00 0.00 H new ATOM 664 N ARG A 43 7.118 -4.655 0.384 1.00 0.00 N ATOM 665 CA ARG A 43 6.809 -3.507 1.228 1.00 0.00 C ATOM 666 C ARG A 43 5.605 -3.796 2.119 1.00 0.00 C ATOM 667 O ARG A 43 4.963 -2.879 2.631 1.00 0.00 O ATOM 668 CB ARG A 43 6.536 -2.273 0.367 1.00 0.00 C ATOM 669 CG ARG A 43 7.781 -1.459 0.056 1.00 0.00 C ATOM 670 CD ARG A 43 7.454 -0.242 -0.795 1.00 0.00 C ATOM 671 NE ARG A 43 6.323 0.511 -0.260 1.00 0.00 N ATOM 672 CZ ARG A 43 5.555 1.306 -0.997 1.00 0.00 C ATOM 673 NH1 ARG A 43 5.795 1.451 -2.292 1.00 0.00 N ATOM 674 NH2 ARG A 43 4.545 1.960 -0.437 1.00 0.00 N ATOM 0 H ARG A 43 6.528 -4.741 -0.443 1.00 0.00 H new ATOM 0 HA ARG A 43 7.672 -3.313 1.865 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.075 -2.588 -0.569 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.814 -1.636 0.879 1.00 0.00 H new ATOM 0 HG2 ARG A 43 8.249 -1.138 0.987 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.505 -2.085 -0.466 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.328 0.407 -0.851 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.229 -0.561 -1.813 1.00 0.00 H new ATOM 0 HE ARG A 43 6.111 0.422 0.734 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.571 0.951 -2.726 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.203 2.062 -2.855 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.358 1.852 0.560 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.956 2.570 -1.004 1.00 0.00 H new ATOM 688 N LYS A 44 5.303 -5.077 2.300 1.00 0.00 N ATOM 689 CA LYS A 44 4.176 -5.490 3.129 1.00 0.00 C ATOM 690 C LYS A 44 4.557 -6.668 4.018 1.00 0.00 C ATOM 691 O LYS A 44 4.991 -7.711 3.529 1.00 0.00 O ATOM 692 CB LYS A 44 2.980 -5.864 2.251 1.00 0.00 C ATOM 693 CG LYS A 44 2.424 -4.699 1.450 1.00 0.00 C ATOM 694 CD LYS A 44 1.690 -3.710 2.341 1.00 0.00 C ATOM 695 CE LYS A 44 1.604 -2.336 1.695 1.00 0.00 C ATOM 696 NZ LYS A 44 0.510 -2.263 0.688 1.00 0.00 N ATOM 0 H LYS A 44 5.824 -5.849 1.883 1.00 0.00 H new ATOM 0 HA LYS A 44 3.901 -4.651 3.768 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.278 -6.656 1.564 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.190 -6.270 2.882 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.238 -4.190 0.933 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.745 -5.074 0.684 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.686 -4.080 2.547 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.203 -3.631 3.299 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.439 -1.583 2.465 1.00 0.00 H new ATOM 0 HE3 LYS A 44 2.554 -2.100 1.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.639 -1.417 0.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.533 -3.112 0.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.407 -2.208 1.175 1.00 0.00 H new ATOM 710 N SER A 45 4.390 -6.497 5.325 1.00 0.00 N ATOM 711 CA SER A 45 4.719 -7.546 6.282 1.00 0.00 C ATOM 712 C SER A 45 3.510 -8.438 6.547 1.00 0.00 C ATOM 713 O SER A 45 2.425 -8.208 6.013 1.00 0.00 O ATOM 714 CB SER A 45 5.212 -6.933 7.595 1.00 0.00 C ATOM 715 OG SER A 45 5.896 -5.714 7.362 1.00 0.00 O ATOM 0 H SER A 45 4.028 -5.641 5.746 1.00 0.00 H new ATOM 0 HA SER A 45 5.514 -8.157 5.854 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.365 -6.758 8.259 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.875 -7.635 8.102 1.00 0.00 H new ATOM 0 HG SER A 45 5.453 -4.991 7.854 1.00 0.00 H new ATOM 721 N VAL A 46 3.705 -9.458 7.376 1.00 0.00 N ATOM 722 CA VAL A 46 2.632 -10.385 7.714 1.00 0.00 C ATOM 723 C VAL A 46 1.514 -9.678 8.472 1.00 0.00 C ATOM 724 O VAL A 46 0.357 -9.665 8.050 1.00 0.00 O ATOM 725 CB VAL A 46 3.151 -11.559 8.566 1.00 0.00 C ATOM 726 CG1 VAL A 46 2.078 -12.033 9.534 1.00 0.00 C ATOM 727 CG2 VAL A 46 3.616 -12.700 7.673 1.00 0.00 C ATOM 0 H VAL A 46 4.597 -9.663 7.826 1.00 0.00 H new ATOM 0 HA VAL A 46 2.242 -10.773 6.773 1.00 0.00 H new ATOM 0 HB VAL A 46 4.004 -11.212 9.149 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.464 -12.863 10.127 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.797 -11.214 10.196 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.203 -12.363 8.974 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.979 -13.521 8.291 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.782 -13.047 7.062 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.420 -12.350 7.025 1.00 0.00 H new ATOM 737 N PRO A 47 1.864 -9.076 9.617 1.00 0.00 N ATOM 738 CA PRO A 47 0.904 -8.354 10.458 1.00 0.00 C ATOM 739 C PRO A 47 0.423 -7.060 9.809 1.00 0.00 C ATOM 740 O PRO A 47 -0.507 -6.418 10.297 1.00 0.00 O ATOM 741 CB PRO A 47 1.702 -8.052 11.728 1.00 0.00 C ATOM 742 CG PRO A 47 3.125 -8.039 11.287 1.00 0.00 C ATOM 743 CD PRO A 47 3.224 -9.052 10.180 1.00 0.00 C ATOM 0 HA PRO A 47 -0.001 -8.935 10.636 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.412 -7.094 12.159 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.531 -8.810 12.492 1.00 0.00 H new ATOM 0 HG2 PRO A 47 3.416 -7.049 10.937 1.00 0.00 H new ATOM 0 HG3 PRO A 47 3.791 -8.295 12.111 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.963 -8.761 9.433 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.520 -10.031 10.557 1.00 0.00 H new ATOM 751 N ASP A 48 1.063 -6.683 8.708 1.00 0.00 N ATOM 752 CA ASP A 48 0.700 -5.465 7.992 1.00 0.00 C ATOM 753 C ASP A 48 -0.419 -5.737 6.991 1.00 0.00 C ATOM 754 O ASP A 48 -1.067 -4.811 6.502 1.00 0.00 O ATOM 755 CB ASP A 48 1.919 -4.891 7.268 1.00 0.00 C ATOM 756 CG ASP A 48 2.736 -3.970 8.152 1.00 0.00 C ATOM 757 OD1 ASP A 48 2.146 -3.051 8.757 1.00 0.00 O ATOM 758 OD2 ASP A 48 3.966 -4.167 8.238 1.00 0.00 O ATOM 0 H ASP A 48 1.836 -7.203 8.292 1.00 0.00 H new ATOM 0 HA ASP A 48 0.343 -4.737 8.721 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.549 -5.709 6.919 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.589 -4.344 6.385 1.00 0.00 H new ATOM 763 N CYS A 49 -0.641 -7.012 6.692 1.00 0.00 N ATOM 764 CA CYS A 49 -1.681 -7.406 5.748 1.00 0.00 C ATOM 765 C CYS A 49 -2.988 -7.709 6.474 1.00 0.00 C ATOM 766 O CYS A 49 -4.069 -7.362 5.999 1.00 0.00 O ATOM 767 CB CYS A 49 -1.235 -8.629 4.946 1.00 0.00 C ATOM 768 SG CYS A 49 -0.157 -8.241 3.547 1.00 0.00 S ATOM 0 H CYS A 49 -0.115 -7.790 7.089 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.850 -6.574 5.064 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.714 -9.317 5.612 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.118 -9.150 4.577 1.00 0.00 H new ATOM 0 HG CYS A 49 0.169 -9.339 2.932 1.00 0.00 H new ATOM 774 N VAL A 50 -2.881 -8.359 7.629 1.00 0.00 N ATOM 775 CA VAL A 50 -4.054 -8.709 8.421 1.00 0.00 C ATOM 776 C VAL A 50 -4.915 -7.482 8.699 1.00 0.00 C ATOM 777 O VAL A 50 -6.144 -7.552 8.665 1.00 0.00 O ATOM 778 CB VAL A 50 -3.654 -9.358 9.760 1.00 0.00 C ATOM 779 CG1 VAL A 50 -4.882 -9.597 10.625 1.00 0.00 C ATOM 780 CG2 VAL A 50 -2.900 -10.656 9.518 1.00 0.00 C ATOM 0 H VAL A 50 -1.994 -8.654 8.037 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.629 -9.427 7.836 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.992 -8.675 10.292 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.580 -10.056 11.567 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.376 -8.646 10.826 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.571 -10.260 10.103 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.625 -11.101 10.474 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.535 -11.348 8.965 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.998 -10.451 8.941 1.00 0.00 H new ATOM 790 N LEU A 51 -4.262 -6.359 8.975 1.00 0.00 N ATOM 791 CA LEU A 51 -4.968 -5.115 9.260 1.00 0.00 C ATOM 792 C LEU A 51 -5.643 -4.572 8.004 1.00 0.00 C ATOM 793 O LEU A 51 -6.848 -4.316 7.996 1.00 0.00 O ATOM 794 CB LEU A 51 -3.999 -4.072 9.822 1.00 0.00 C ATOM 795 CG LEU A 51 -3.758 -4.125 11.331 1.00 0.00 C ATOM 796 CD1 LEU A 51 -5.063 -3.930 12.087 1.00 0.00 C ATOM 797 CD2 LEU A 51 -3.105 -5.443 11.721 1.00 0.00 C ATOM 0 H LEU A 51 -3.245 -6.284 9.008 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.737 -5.325 10.003 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.040 -4.187 9.317 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.376 -3.081 9.569 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.081 -3.314 11.600 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.872 -3.971 13.159 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.490 -2.960 11.831 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.764 -4.719 11.813 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.941 -5.463 12.798 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.756 -6.270 11.438 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.149 -5.542 11.207 1.00 0.00 H new ATOM 809 N TYR A 52 -4.861 -4.401 6.945 1.00 0.00 N ATOM 810 CA TYR A 52 -5.383 -3.889 5.683 1.00 0.00 C ATOM 811 C TYR A 52 -6.729 -4.527 5.352 1.00 0.00 C ATOM 812 O TYR A 52 -7.654 -3.852 4.901 1.00 0.00 O ATOM 813 CB TYR A 52 -4.389 -4.153 4.551 1.00 0.00 C ATOM 814 CG TYR A 52 -5.009 -4.087 3.173 1.00 0.00 C ATOM 815 CD1 TYR A 52 -5.668 -2.943 2.741 1.00 0.00 C ATOM 816 CD2 TYR A 52 -4.936 -5.169 2.305 1.00 0.00 C ATOM 817 CE1 TYR A 52 -6.236 -2.879 1.483 1.00 0.00 C ATOM 818 CE2 TYR A 52 -5.500 -5.113 1.045 1.00 0.00 C ATOM 819 CZ TYR A 52 -6.149 -3.966 0.639 1.00 0.00 C ATOM 820 OH TYR A 52 -6.714 -3.907 -0.614 1.00 0.00 O ATOM 0 H TYR A 52 -3.863 -4.609 6.935 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.527 -2.814 5.788 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.580 -3.425 4.612 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.943 -5.137 4.693 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -5.738 -2.090 3.399 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -4.430 -6.069 2.620 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.745 -1.982 1.162 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.433 -5.963 0.382 1.00 0.00 H new ATOM 0 HH TYR A 52 -6.562 -4.755 -1.081 1.00 0.00 H new ATOM 830 N TYR A 53 -6.830 -5.832 5.580 1.00 0.00 N ATOM 831 CA TYR A 53 -8.061 -6.563 5.304 1.00 0.00 C ATOM 832 C TYR A 53 -9.181 -6.113 6.237 1.00 0.00 C ATOM 833 O TYR A 53 -10.236 -5.665 5.788 1.00 0.00 O ATOM 834 CB TYR A 53 -7.830 -8.068 5.455 1.00 0.00 C ATOM 835 CG TYR A 53 -9.105 -8.861 5.629 1.00 0.00 C ATOM 836 CD1 TYR A 53 -9.829 -9.300 4.528 1.00 0.00 C ATOM 837 CD2 TYR A 53 -9.584 -9.174 6.895 1.00 0.00 C ATOM 838 CE1 TYR A 53 -10.995 -10.025 4.683 1.00 0.00 C ATOM 839 CE2 TYR A 53 -10.748 -9.899 7.060 1.00 0.00 C ATOM 840 CZ TYR A 53 -11.450 -10.323 5.950 1.00 0.00 C ATOM 841 OH TYR A 53 -12.610 -11.045 6.109 1.00 0.00 O ATOM 0 H TYR A 53 -6.074 -6.405 5.955 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.359 -6.349 4.278 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -7.300 -8.436 4.576 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -7.183 -8.243 6.314 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -9.475 -9.071 3.534 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -9.036 -8.845 7.766 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -11.547 -10.357 3.816 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -11.107 -10.133 8.052 1.00 0.00 H new ATOM 0 HH TYR A 53 -12.790 -11.169 7.064 1.00 0.00 H new ATOM 851 N TYR A 54 -8.944 -6.236 7.538 1.00 0.00 N ATOM 852 CA TYR A 54 -9.933 -5.845 8.536 1.00 0.00 C ATOM 853 C TYR A 54 -10.396 -4.409 8.309 1.00 0.00 C ATOM 854 O TYR A 54 -11.584 -4.151 8.110 1.00 0.00 O ATOM 855 CB TYR A 54 -9.352 -5.989 9.944 1.00 0.00 C ATOM 856 CG TYR A 54 -9.373 -7.409 10.464 1.00 0.00 C ATOM 857 CD1 TYR A 54 -10.572 -8.089 10.641 1.00 0.00 C ATOM 858 CD2 TYR A 54 -8.192 -8.071 10.778 1.00 0.00 C ATOM 859 CE1 TYR A 54 -10.595 -9.385 11.118 1.00 0.00 C ATOM 860 CE2 TYR A 54 -8.206 -9.368 11.254 1.00 0.00 C ATOM 861 CZ TYR A 54 -9.410 -10.021 11.422 1.00 0.00 C ATOM 862 OH TYR A 54 -9.429 -11.312 11.895 1.00 0.00 O ATOM 0 H TYR A 54 -8.075 -6.603 7.927 1.00 0.00 H new ATOM 0 HA TYR A 54 -10.794 -6.506 8.436 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -8.324 -5.626 9.943 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -9.914 -5.352 10.627 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -11.502 -7.595 10.401 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -7.248 -7.563 10.648 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -11.536 -9.897 11.252 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -7.279 -9.868 11.493 1.00 0.00 H new ATOM 0 HH TYR A 54 -8.511 -11.614 12.059 1.00 0.00 H new ATOM 872 N LEU A 55 -9.450 -3.477 8.341 1.00 0.00 N ATOM 873 CA LEU A 55 -9.759 -2.066 8.138 1.00 0.00 C ATOM 874 C LEU A 55 -10.605 -1.868 6.885 1.00 0.00 C ATOM 875 O LEU A 55 -11.633 -1.190 6.917 1.00 0.00 O ATOM 876 CB LEU A 55 -8.468 -1.252 8.030 1.00 0.00 C ATOM 877 CG LEU A 55 -7.875 -0.756 9.348 1.00 0.00 C ATOM 878 CD1 LEU A 55 -6.974 -1.817 9.961 1.00 0.00 C ATOM 879 CD2 LEU A 55 -7.106 0.540 9.133 1.00 0.00 C ATOM 0 H LEU A 55 -8.463 -3.673 8.506 1.00 0.00 H new ATOM 0 HA LEU A 55 -10.331 -1.717 8.998 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.719 -1.862 7.525 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.659 -0.388 7.393 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.693 -0.559 10.041 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.561 -1.446 10.899 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.553 -2.720 10.152 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.161 -2.046 9.272 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.691 0.878 10.082 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.297 0.369 8.423 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.779 1.302 8.739 1.00 0.00 H new ATOM 891 N THR A 56 -10.169 -2.467 5.781 1.00 0.00 N ATOM 892 CA THR A 56 -10.886 -2.357 4.517 1.00 0.00 C ATOM 893 C THR A 56 -11.949 -3.443 4.393 1.00 0.00 C ATOM 894 O THR A 56 -12.324 -3.836 3.288 1.00 0.00 O ATOM 895 CB THR A 56 -9.927 -2.454 3.316 1.00 0.00 C ATOM 896 OG1 THR A 56 -8.645 -1.922 3.669 1.00 0.00 O ATOM 897 CG2 THR A 56 -10.482 -1.699 2.118 1.00 0.00 C ATOM 0 H THR A 56 -9.322 -3.034 5.737 1.00 0.00 H new ATOM 0 HA THR A 56 -11.366 -1.379 4.510 1.00 0.00 H new ATOM 0 HB THR A 56 -9.823 -3.505 3.047 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.991 -2.650 3.720 1.00 0.00 H new ATOM 0 HG21 THR A 56 -9.787 -1.782 1.282 1.00 0.00 H new ATOM 0 HG22 THR A 56 -11.444 -2.125 1.834 1.00 0.00 H new ATOM 0 HG23 THR A 56 -10.613 -0.649 2.379 1.00 0.00 H new ATOM 905 N LYS A 57 -12.432 -3.925 5.533 1.00 0.00 N ATOM 906 CA LYS A 57 -13.454 -4.965 5.553 1.00 0.00 C ATOM 907 C LYS A 57 -14.419 -4.802 4.383 1.00 0.00 C ATOM 908 O LYS A 57 -14.895 -5.785 3.815 1.00 0.00 O ATOM 909 CB LYS A 57 -14.226 -4.926 6.874 1.00 0.00 C ATOM 910 CG LYS A 57 -14.857 -3.576 7.169 1.00 0.00 C ATOM 911 CD LYS A 57 -15.893 -3.676 8.276 1.00 0.00 C ATOM 912 CE LYS A 57 -16.520 -2.323 8.576 1.00 0.00 C ATOM 913 NZ LYS A 57 -15.594 -1.440 9.339 1.00 0.00 N ATOM 0 H LYS A 57 -12.132 -3.612 6.456 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.956 -5.930 5.459 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -15.007 -5.686 6.851 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.550 -5.188 7.688 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.082 -2.866 7.458 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.325 -3.187 6.265 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.671 -4.382 7.985 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.426 -4.070 9.179 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.798 -1.836 7.641 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -17.438 -2.466 9.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -16.058 -0.528 9.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -15.348 -1.893 10.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.729 -1.282 8.784 1.00 0.00 H new ATOM 927 N LYS A 58 -14.703 -3.554 4.026 1.00 0.00 N ATOM 928 CA LYS A 58 -15.609 -3.260 2.922 1.00 0.00 C ATOM 929 C LYS A 58 -16.965 -3.924 3.140 1.00 0.00 C ATOM 930 O LYS A 58 -17.444 -4.672 2.289 1.00 0.00 O ATOM 931 CB LYS A 58 -15.004 -3.735 1.599 1.00 0.00 C ATOM 932 CG LYS A 58 -15.377 -2.864 0.412 1.00 0.00 C ATOM 933 CD LYS A 58 -16.653 -3.347 -0.255 1.00 0.00 C ATOM 934 CE LYS A 58 -16.463 -4.709 -0.904 1.00 0.00 C ATOM 935 NZ LYS A 58 -17.576 -5.042 -1.835 1.00 0.00 N ATOM 0 H LYS A 58 -14.318 -2.729 4.486 1.00 0.00 H new ATOM 0 HA LYS A 58 -15.755 -2.181 2.881 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.918 -3.760 1.694 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -15.331 -4.757 1.406 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.506 -1.833 0.742 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -14.563 -2.867 -0.313 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -17.452 -3.404 0.484 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -16.967 -2.625 -1.009 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.519 -4.723 -1.448 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -16.396 -5.474 -0.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.408 -5.978 -2.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -18.475 -5.054 -1.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -17.624 -4.327 -2.589 1.00 0.00 H new ATOM 949 N ASN A 59 -17.579 -3.643 4.285 1.00 0.00 N ATOM 950 CA ASN A 59 -18.881 -4.212 4.614 1.00 0.00 C ATOM 951 C ASN A 59 -20.003 -3.423 3.948 1.00 0.00 C ATOM 952 O ASN A 59 -20.488 -2.433 4.494 1.00 0.00 O ATOM 953 CB ASN A 59 -19.084 -4.230 6.130 1.00 0.00 C ATOM 954 CG ASN A 59 -20.551 -4.210 6.517 1.00 0.00 C ATOM 955 OD1 ASN A 59 -21.396 -4.771 5.819 1.00 0.00 O ATOM 956 ND2 ASN A 59 -20.859 -3.561 7.634 1.00 0.00 N ATOM 0 H ASN A 59 -17.196 -3.025 5.000 1.00 0.00 H new ATOM 0 HA ASN A 59 -18.909 -5.235 4.239 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -18.613 -5.121 6.546 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -18.583 -3.369 6.571 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -21.829 -3.513 7.945 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -20.125 -3.111 8.181 1.00 0.00 H new ATOM 963 N GLU A 60 -20.412 -3.870 2.764 1.00 0.00 N ATOM 964 CA GLU A 60 -21.478 -3.206 2.024 1.00 0.00 C ATOM 965 C GLU A 60 -22.754 -4.042 2.038 1.00 0.00 C ATOM 966 O GLU A 60 -23.408 -4.214 1.010 1.00 0.00 O ATOM 967 CB GLU A 60 -21.041 -2.946 0.580 1.00 0.00 C ATOM 968 CG GLU A 60 -21.964 -2.005 -0.175 1.00 0.00 C ATOM 969 CD GLU A 60 -21.649 -0.545 0.084 1.00 0.00 C ATOM 970 OE1 GLU A 60 -21.431 -0.186 1.261 1.00 0.00 O ATOM 971 OE2 GLU A 60 -21.620 0.238 -0.888 1.00 0.00 O ATOM 0 H GLU A 60 -20.021 -4.689 2.298 1.00 0.00 H new ATOM 0 HA GLU A 60 -21.684 -2.253 2.511 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -20.034 -2.528 0.584 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -20.990 -3.896 0.048 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -21.886 -2.205 -1.244 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -22.996 -2.206 0.112 1.00 0.00 H new ATOM 978 N ASN A 61 -23.101 -4.562 3.211 1.00 0.00 N ATOM 979 CA ASN A 61 -24.298 -5.382 3.360 1.00 0.00 C ATOM 980 C ASN A 61 -25.559 -4.542 3.176 1.00 0.00 C ATOM 981 O ASN A 61 -26.656 -4.965 3.541 1.00 0.00 O ATOM 982 CB ASN A 61 -24.314 -6.053 4.734 1.00 0.00 C ATOM 983 CG ASN A 61 -24.607 -5.072 5.853 1.00 0.00 C ATOM 984 OD1 ASN A 61 -24.199 -3.912 5.799 1.00 0.00 O ATOM 985 ND2 ASN A 61 -25.317 -5.535 6.875 1.00 0.00 N ATOM 0 H ASN A 61 -22.570 -4.430 4.072 1.00 0.00 H new ATOM 0 HA ASN A 61 -24.280 -6.151 2.588 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -25.065 -6.843 4.741 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -23.350 -6.528 4.914 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -25.545 -4.921 7.657 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -25.635 -6.504 6.878 1.00 0.00 H new TER 992 ASN A 61