USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 743 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 41 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.445 X(o=-0.44,f=-0.056) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= -0.0973 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 23 SER OG : rot -20:sc= 0.0792 USER MOD Single : A 25 GLN : amide:sc=-0.00703 K(o=-0.007,f=-0.63) USER MOD Single : A 29 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.058) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 160:sc= -0.0696 (180deg=-0.601) USER MOD Single : A 40 ASN : amide:sc= -0.022 K(o=-0.022,f=-3.6!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.471 X(o=-0.47,f=-0.12) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -0.727 K(o=-0.73,f=-0.034) USER MOD Single : A 69 HIS : no HD1:sc= -0.0126 X(o=-0.013,f=-0.12) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.331 K(o=-0.33,f=-5.2!) USER MOD Single : A 74 ASN : amide:sc= -1.38! C(o=-1.4!,f=-4.2!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.0645 X(o=-0.065,f=-0.037) USER MOD Single : A 82 TYR OH : rot 7:sc= 1.35 USER MOD Single : A 83 CYS SG : rot -170:sc= -1.26 USER MOD Single : A 86 SER OG : rot 39:sc= 0.877 USER MOD Single : A 89 LYS NZ :NH3+ 150:sc= -0.263 (180deg=-1.35!) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -2.22 X(o=-2.2,f=-2.5!) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 ASN : amide:sc=-0.00578 X(o=-0.0058,f=-0.015) USER MOD Single : A 98 SER OG : rot 28:sc= 1.17 USER MOD Single : A 101 MET CE :methyl -144:sc= 0 (180deg=-0.0184) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -0.0608 X(o=-0.061,f=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 2.635 -12.390 -9.018 1.00 0.00 N ATOM 67 CA LEU A 8 2.150 -11.127 -8.472 1.00 0.00 C ATOM 68 C LEU A 8 3.158 -10.007 -8.713 1.00 0.00 C ATOM 69 O LEU A 8 2.825 -8.826 -8.610 1.00 0.00 O ATOM 70 CB LEU A 8 1.874 -11.268 -6.975 1.00 0.00 C ATOM 71 CG LEU A 8 1.522 -9.978 -6.233 1.00 0.00 C ATOM 72 CD1 LEU A 8 0.112 -9.528 -6.586 1.00 0.00 C ATOM 73 CD2 LEU A 8 1.661 -10.171 -4.730 1.00 0.00 C ATOM 0 HA LEU A 8 1.222 -10.871 -8.983 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.055 -11.975 -6.842 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.754 -11.706 -6.503 1.00 0.00 H new ATOM 0 HG LEU A 8 2.219 -9.200 -6.545 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.122 -8.609 -6.049 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.045 -9.348 -7.659 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.599 -10.304 -6.303 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.406 -9.243 -4.219 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.988 -10.963 -4.401 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.688 -10.446 -4.492 1.00 0.00 H new ATOM 85 N ASP A 9 4.389 -10.387 -9.035 1.00 0.00 N ATOM 86 CA ASP A 9 5.446 -9.415 -9.293 1.00 0.00 C ATOM 87 C ASP A 9 5.178 -8.652 -10.588 1.00 0.00 C ATOM 88 O ASP A 9 5.843 -7.660 -10.884 1.00 0.00 O ATOM 89 CB ASP A 9 6.804 -10.115 -9.371 1.00 0.00 C ATOM 90 CG ASP A 9 6.920 -11.021 -10.581 1.00 0.00 C ATOM 91 OD1 ASP A 9 6.004 -11.841 -10.798 1.00 0.00 O ATOM 92 OD2 ASP A 9 7.927 -10.909 -11.311 1.00 0.00 O ATOM 0 H ASP A 9 4.680 -11.361 -9.124 1.00 0.00 H new ATOM 0 HA ASP A 9 5.460 -8.702 -8.468 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.594 -9.365 -9.405 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.960 -10.701 -8.465 1.00 0.00 H new ATOM 97 N ASP A 10 4.201 -9.123 -11.354 1.00 0.00 N ATOM 98 CA ASP A 10 3.844 -8.486 -12.617 1.00 0.00 C ATOM 99 C ASP A 10 3.495 -7.017 -12.403 1.00 0.00 C ATOM 100 O ASP A 10 3.989 -6.140 -13.114 1.00 0.00 O ATOM 101 CB ASP A 10 2.667 -9.214 -13.266 1.00 0.00 C ATOM 102 CG ASP A 10 3.051 -10.583 -13.793 1.00 0.00 C ATOM 103 OD1 ASP A 10 4.024 -10.666 -14.570 1.00 0.00 O ATOM 104 OD2 ASP A 10 2.378 -11.570 -13.426 1.00 0.00 O ATOM 0 H ASP A 10 3.641 -9.944 -11.123 1.00 0.00 H new ATOM 0 HA ASP A 10 4.706 -8.544 -13.282 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.863 -9.321 -12.537 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.277 -8.609 -14.085 1.00 0.00 H new ATOM 109 N TYR A 11 2.640 -6.753 -11.422 1.00 0.00 N ATOM 110 CA TYR A 11 2.221 -5.390 -11.118 1.00 0.00 C ATOM 111 C TYR A 11 3.428 -4.494 -10.860 1.00 0.00 C ATOM 112 O TYR A 11 4.573 -4.946 -10.910 1.00 0.00 O ATOM 113 CB TYR A 11 1.294 -5.379 -9.901 1.00 0.00 C ATOM 114 CG TYR A 11 0.034 -6.192 -10.093 1.00 0.00 C ATOM 115 CD1 TYR A 11 -0.992 -5.738 -10.912 1.00 0.00 C ATOM 116 CD2 TYR A 11 -0.130 -7.416 -9.453 1.00 0.00 C ATOM 117 CE1 TYR A 11 -2.145 -6.479 -11.089 1.00 0.00 C ATOM 118 CE2 TYR A 11 -1.279 -8.163 -9.626 1.00 0.00 C ATOM 119 CZ TYR A 11 -2.284 -7.690 -10.443 1.00 0.00 C ATOM 120 OH TYR A 11 -3.431 -8.431 -10.617 1.00 0.00 O ATOM 0 H TYR A 11 2.223 -7.466 -10.823 1.00 0.00 H new ATOM 0 HA TYR A 11 1.681 -5.002 -11.981 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.837 -5.764 -9.038 1.00 0.00 H new ATOM 0 HB3 TYR A 11 1.021 -4.349 -9.672 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.887 -4.790 -11.419 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.654 -7.788 -8.810 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -2.933 -6.112 -11.730 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -1.390 -9.113 -9.124 1.00 0.00 H new ATOM 0 HH TYR A 11 -3.369 -9.257 -10.094 1.00 0.00 H new ATOM 130 N ASP A 12 3.164 -3.222 -10.583 1.00 0.00 N ATOM 131 CA ASP A 12 4.228 -2.262 -10.315 1.00 0.00 C ATOM 132 C ASP A 12 4.220 -1.836 -8.850 1.00 0.00 C ATOM 133 O ASP A 12 5.269 -1.753 -8.212 1.00 0.00 O ATOM 134 CB ASP A 12 4.076 -1.035 -11.215 1.00 0.00 C ATOM 135 CG ASP A 12 4.219 -1.375 -12.686 1.00 0.00 C ATOM 136 OD1 ASP A 12 3.197 -1.711 -13.320 1.00 0.00 O ATOM 137 OD2 ASP A 12 5.354 -1.306 -13.204 1.00 0.00 O ATOM 0 H ASP A 12 2.223 -2.832 -10.538 1.00 0.00 H new ATOM 0 HA ASP A 12 5.181 -2.745 -10.530 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.100 -0.581 -11.043 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.826 -0.293 -10.942 1.00 0.00 H new ATOM 142 N TRP A 13 3.030 -1.566 -8.324 1.00 0.00 N ATOM 143 CA TRP A 13 2.886 -1.149 -6.935 1.00 0.00 C ATOM 144 C TRP A 13 3.505 -2.173 -5.990 1.00 0.00 C ATOM 145 O TRP A 13 3.982 -1.827 -4.910 1.00 0.00 O ATOM 146 CB TRP A 13 1.408 -0.949 -6.592 1.00 0.00 C ATOM 147 CG TRP A 13 0.499 -1.905 -7.301 1.00 0.00 C ATOM 148 CD1 TRP A 13 -0.133 -1.704 -8.495 1.00 0.00 C ATOM 149 CD2 TRP A 13 0.118 -3.213 -6.860 1.00 0.00 C ATOM 150 NE1 TRP A 13 -0.883 -2.807 -8.823 1.00 0.00 N ATOM 151 CE2 TRP A 13 -0.745 -3.748 -7.836 1.00 0.00 C ATOM 152 CE3 TRP A 13 0.424 -3.985 -5.736 1.00 0.00 C ATOM 153 CZ2 TRP A 13 -1.305 -5.017 -7.720 1.00 0.00 C ATOM 154 CZ3 TRP A 13 -0.133 -5.245 -5.622 1.00 0.00 C ATOM 155 CH2 TRP A 13 -0.988 -5.751 -6.608 1.00 0.00 C ATOM 0 H TRP A 13 2.152 -1.629 -8.839 1.00 0.00 H new ATOM 0 HA TRP A 13 3.413 -0.203 -6.810 1.00 0.00 H new ATOM 0 HB2 TRP A 13 1.274 -1.061 -5.516 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.119 0.071 -6.844 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -0.055 -0.809 -9.094 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -1.450 -2.909 -9.664 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.084 -3.604 -4.970 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.966 -5.409 -8.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 0.096 -5.850 -4.757 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.406 -6.740 -6.490 1.00 0.00 H new ATOM 166 N PHE A 14 3.495 -3.435 -6.406 1.00 0.00 N ATOM 167 CA PHE A 14 4.055 -4.511 -5.595 1.00 0.00 C ATOM 168 C PHE A 14 5.579 -4.512 -5.673 1.00 0.00 C ATOM 169 O PHE A 14 6.164 -5.070 -6.601 1.00 0.00 O ATOM 170 CB PHE A 14 3.509 -5.864 -6.057 1.00 0.00 C ATOM 171 CG PHE A 14 3.971 -7.017 -5.213 1.00 0.00 C ATOM 172 CD1 PHE A 14 4.015 -6.907 -3.832 1.00 0.00 C ATOM 173 CD2 PHE A 14 4.362 -8.209 -5.799 1.00 0.00 C ATOM 174 CE1 PHE A 14 4.439 -7.967 -3.052 1.00 0.00 C ATOM 175 CE2 PHE A 14 4.787 -9.272 -5.025 1.00 0.00 C ATOM 176 CZ PHE A 14 4.827 -9.150 -3.649 1.00 0.00 C ATOM 0 H PHE A 14 3.106 -3.738 -7.299 1.00 0.00 H new ATOM 0 HA PHE A 14 3.761 -4.343 -4.559 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.420 -5.830 -6.046 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.812 -6.036 -7.090 1.00 0.00 H new ATOM 0 HD1 PHE A 14 3.715 -5.983 -3.360 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.334 -8.309 -6.874 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.467 -7.870 -1.977 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.087 -10.197 -5.495 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.161 -9.978 -3.042 1.00 0.00 H new ATOM 186 N ALA A 15 6.216 -3.883 -4.691 1.00 0.00 N ATOM 187 CA ALA A 15 7.671 -3.813 -4.646 1.00 0.00 C ATOM 188 C ALA A 15 8.277 -5.171 -4.312 1.00 0.00 C ATOM 189 O ALA A 15 9.236 -5.609 -4.947 1.00 0.00 O ATOM 190 CB ALA A 15 8.118 -2.770 -3.632 1.00 0.00 C ATOM 0 H ALA A 15 5.747 -3.415 -3.916 1.00 0.00 H new ATOM 0 HA ALA A 15 8.026 -3.520 -5.634 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.207 -2.728 -3.609 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.724 -1.794 -3.916 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.744 -3.039 -2.644 1.00 0.00 H new ATOM 196 N GLY A 16 7.710 -5.836 -3.308 1.00 0.00 N ATOM 197 CA GLY A 16 8.210 -7.138 -2.906 1.00 0.00 C ATOM 198 C GLY A 16 9.012 -7.080 -1.622 1.00 0.00 C ATOM 199 O GLY A 16 8.827 -6.179 -0.806 1.00 0.00 O ATOM 0 H GLY A 16 6.915 -5.496 -2.767 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.371 -7.822 -2.776 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.833 -7.546 -3.702 1.00 0.00 H new ATOM 203 N ASN A 17 9.906 -8.047 -1.440 1.00 0.00 N ATOM 204 CA ASN A 17 10.738 -8.105 -0.244 1.00 0.00 C ATOM 205 C ASN A 17 11.579 -6.839 -0.106 1.00 0.00 C ATOM 206 O ASN A 17 12.493 -6.599 -0.896 1.00 0.00 O ATOM 207 CB ASN A 17 11.650 -9.333 -0.290 1.00 0.00 C ATOM 208 CG ASN A 17 12.664 -9.343 0.837 1.00 0.00 C ATOM 209 OD1 ASN A 17 12.428 -9.927 1.894 1.00 0.00 O ATOM 210 ND2 ASN A 17 13.801 -8.693 0.615 1.00 0.00 N ATOM 0 H ASN A 17 10.073 -8.801 -2.106 1.00 0.00 H new ATOM 0 HA ASN A 17 10.081 -8.181 0.622 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.042 -10.236 -0.236 1.00 0.00 H new ATOM 0 HB3 ASN A 17 12.173 -9.358 -1.246 1.00 0.00 H new ATOM 0 HD21 ASN A 17 14.521 -8.664 1.337 1.00 0.00 H new ATOM 0 HD22 ASN A 17 13.954 -8.223 -0.277 1.00 0.00 H new ATOM 217 N ILE A 18 11.263 -6.034 0.903 1.00 0.00 N ATOM 218 CA ILE A 18 11.990 -4.794 1.146 1.00 0.00 C ATOM 219 C ILE A 18 12.216 -4.573 2.638 1.00 0.00 C ATOM 220 O ILE A 18 11.546 -5.178 3.474 1.00 0.00 O ATOM 221 CB ILE A 18 11.241 -3.580 0.566 1.00 0.00 C ATOM 222 CG1 ILE A 18 9.805 -3.538 1.094 1.00 0.00 C ATOM 223 CG2 ILE A 18 11.251 -3.628 -0.955 1.00 0.00 C ATOM 224 CD1 ILE A 18 9.036 -2.313 0.654 1.00 0.00 C ATOM 0 H ILE A 18 10.509 -6.218 1.565 1.00 0.00 H new ATOM 0 HA ILE A 18 12.953 -4.889 0.645 1.00 0.00 H new ATOM 0 HB ILE A 18 11.752 -2.671 0.885 1.00 0.00 H new ATOM 0 HG12 ILE A 18 9.276 -4.430 0.757 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.826 -3.572 2.183 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.718 -2.763 -1.350 1.00 0.00 H new ATOM 0 HG22 ILE A 18 12.281 -3.614 -1.313 1.00 0.00 H new ATOM 0 HG23 ILE A 18 10.762 -4.541 -1.293 1.00 0.00 H new ATOM 0 HD11 ILE A 18 8.027 -2.350 1.065 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.542 -1.417 1.014 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.984 -2.288 -0.434 1.00 0.00 H new ATOM 236 N SER A 19 13.164 -3.700 2.963 1.00 0.00 N ATOM 237 CA SER A 19 13.480 -3.399 4.355 1.00 0.00 C ATOM 238 C SER A 19 12.810 -2.102 4.797 1.00 0.00 C ATOM 239 O SER A 19 12.462 -1.257 3.972 1.00 0.00 O ATOM 240 CB SER A 19 14.995 -3.293 4.544 1.00 0.00 C ATOM 241 OG SER A 19 15.337 -3.276 5.919 1.00 0.00 O ATOM 0 H SER A 19 13.726 -3.189 2.282 1.00 0.00 H new ATOM 0 HA SER A 19 13.099 -4.213 4.972 1.00 0.00 H new ATOM 0 HB2 SER A 19 15.486 -4.134 4.054 1.00 0.00 H new ATOM 0 HB3 SER A 19 15.362 -2.386 4.063 1.00 0.00 H new ATOM 0 HG SER A 19 16.310 -3.210 6.013 1.00 0.00 H new ATOM 247 N ARG A 20 12.630 -1.953 6.105 1.00 0.00 N ATOM 248 CA ARG A 20 11.999 -0.760 6.659 1.00 0.00 C ATOM 249 C ARG A 20 12.576 0.503 6.025 1.00 0.00 C ATOM 250 O ARG A 20 11.874 1.500 5.855 1.00 0.00 O ATOM 251 CB ARG A 20 12.188 -0.714 8.176 1.00 0.00 C ATOM 252 CG ARG A 20 11.247 0.252 8.877 1.00 0.00 C ATOM 253 CD ARG A 20 11.585 0.385 10.354 1.00 0.00 C ATOM 254 NE ARG A 20 12.923 0.934 10.562 1.00 0.00 N ATOM 255 CZ ARG A 20 13.317 1.498 11.698 1.00 0.00 C ATOM 256 NH1 ARG A 20 12.482 1.585 12.724 1.00 0.00 N ATOM 257 NH2 ARG A 20 14.551 1.974 11.811 1.00 0.00 N ATOM 0 H ARG A 20 12.912 -2.643 6.801 1.00 0.00 H new ATOM 0 HA ARG A 20 10.933 -0.805 6.434 1.00 0.00 H new ATOM 0 HB2 ARG A 20 12.038 -1.714 8.583 1.00 0.00 H new ATOM 0 HB3 ARG A 20 13.217 -0.431 8.397 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.306 1.230 8.400 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.220 -0.095 8.767 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.850 1.028 10.838 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.516 -0.593 10.831 1.00 0.00 H new ATOM 0 HE ARG A 20 13.591 0.881 9.793 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.534 1.218 12.642 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.788 2.019 13.595 1.00 0.00 H new ATOM 0 HH21 ARG A 20 15.198 1.907 11.025 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.853 2.407 12.684 1.00 0.00 H new ATOM 271 N SER A 21 13.858 0.453 5.679 1.00 0.00 N ATOM 272 CA SER A 21 14.530 1.594 5.069 1.00 0.00 C ATOM 273 C SER A 21 14.155 1.721 3.594 1.00 0.00 C ATOM 274 O SER A 21 13.597 2.732 3.170 1.00 0.00 O ATOM 275 CB SER A 21 16.047 1.455 5.211 1.00 0.00 C ATOM 276 OG SER A 21 16.508 0.257 4.611 1.00 0.00 O ATOM 0 H SER A 21 14.452 -0.365 5.811 1.00 0.00 H new ATOM 0 HA SER A 21 14.205 2.496 5.588 1.00 0.00 H new ATOM 0 HB2 SER A 21 16.539 2.310 4.747 1.00 0.00 H new ATOM 0 HB3 SER A 21 16.319 1.465 6.266 1.00 0.00 H new ATOM 0 HG SER A 21 17.480 0.193 4.714 1.00 0.00 H new ATOM 282 N GLN A 22 14.469 0.687 2.820 1.00 0.00 N ATOM 283 CA GLN A 22 14.166 0.683 1.394 1.00 0.00 C ATOM 284 C GLN A 22 12.743 1.168 1.137 1.00 0.00 C ATOM 285 O GLN A 22 12.522 2.078 0.339 1.00 0.00 O ATOM 286 CB GLN A 22 14.350 -0.722 0.816 1.00 0.00 C ATOM 287 CG GLN A 22 15.765 -1.002 0.336 1.00 0.00 C ATOM 288 CD GLN A 22 16.119 -2.475 0.391 1.00 0.00 C ATOM 289 OE1 GLN A 22 16.436 -3.010 1.454 1.00 0.00 O ATOM 290 NE2 GLN A 22 16.068 -3.139 -0.758 1.00 0.00 N ATOM 0 H GLN A 22 14.932 -0.157 3.156 1.00 0.00 H new ATOM 0 HA GLN A 22 14.857 1.366 0.900 1.00 0.00 H new ATOM 0 HB2 GLN A 22 14.081 -1.456 1.575 1.00 0.00 H new ATOM 0 HB3 GLN A 22 13.659 -0.857 -0.017 1.00 0.00 H new ATOM 0 HG2 GLN A 22 15.875 -0.644 -0.688 1.00 0.00 H new ATOM 0 HG3 GLN A 22 16.470 -0.440 0.948 1.00 0.00 H new ATOM 0 HE21 GLN A 22 15.800 -2.655 -1.615 1.00 0.00 H new ATOM 0 HE22 GLN A 22 16.297 -4.133 -0.783 1.00 0.00 H new ATOM 299 N SER A 23 11.782 0.555 1.821 1.00 0.00 N ATOM 300 CA SER A 23 10.379 0.922 1.664 1.00 0.00 C ATOM 301 C SER A 23 10.189 2.427 1.832 1.00 0.00 C ATOM 302 O SER A 23 9.289 3.019 1.237 1.00 0.00 O ATOM 303 CB SER A 23 9.517 0.172 2.681 1.00 0.00 C ATOM 304 OG SER A 23 9.851 0.544 4.007 1.00 0.00 O ATOM 0 H SER A 23 11.949 -0.198 2.489 1.00 0.00 H new ATOM 0 HA SER A 23 10.067 0.644 0.658 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.464 0.383 2.495 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.654 -0.902 2.556 1.00 0.00 H new ATOM 0 HG SER A 23 10.750 0.934 4.021 1.00 0.00 H new ATOM 310 N GLU A 24 11.044 3.038 2.646 1.00 0.00 N ATOM 311 CA GLU A 24 10.970 4.473 2.893 1.00 0.00 C ATOM 312 C GLU A 24 11.793 5.244 1.865 1.00 0.00 C ATOM 313 O GLU A 24 11.440 6.360 1.484 1.00 0.00 O ATOM 314 CB GLU A 24 11.464 4.797 4.304 1.00 0.00 C ATOM 315 CG GLU A 24 10.494 4.384 5.398 1.00 0.00 C ATOM 316 CD GLU A 24 11.171 4.204 6.743 1.00 0.00 C ATOM 317 OE1 GLU A 24 11.924 5.111 7.154 1.00 0.00 O ATOM 318 OE2 GLU A 24 10.948 3.156 7.383 1.00 0.00 O ATOM 0 H GLU A 24 11.795 2.562 3.145 1.00 0.00 H new ATOM 0 HA GLU A 24 9.927 4.778 2.802 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.419 4.298 4.469 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.648 5.869 4.378 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.712 5.138 5.488 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.007 3.451 5.113 1.00 0.00 H new ATOM 325 N GLN A 25 12.891 4.642 1.422 1.00 0.00 N ATOM 326 CA GLN A 25 13.765 5.273 0.440 1.00 0.00 C ATOM 327 C GLN A 25 13.071 5.386 -0.914 1.00 0.00 C ATOM 328 O GLN A 25 12.951 6.478 -1.473 1.00 0.00 O ATOM 329 CB GLN A 25 15.063 4.477 0.295 1.00 0.00 C ATOM 330 CG GLN A 25 16.076 5.129 -0.633 1.00 0.00 C ATOM 331 CD GLN A 25 17.454 4.506 -0.522 1.00 0.00 C ATOM 332 OE1 GLN A 25 17.919 4.191 0.574 1.00 0.00 O ATOM 333 NE2 GLN A 25 18.115 4.324 -1.659 1.00 0.00 N ATOM 0 H GLN A 25 13.197 3.718 1.727 1.00 0.00 H new ATOM 0 HA GLN A 25 14.000 6.277 0.793 1.00 0.00 H new ATOM 0 HB2 GLN A 25 15.513 4.350 1.279 1.00 0.00 H new ATOM 0 HB3 GLN A 25 14.829 3.480 -0.079 1.00 0.00 H new ATOM 0 HG2 GLN A 25 15.726 5.047 -1.662 1.00 0.00 H new ATOM 0 HG3 GLN A 25 16.142 6.192 -0.403 1.00 0.00 H new ATOM 0 HE21 GLN A 25 17.691 4.600 -2.545 1.00 0.00 H new ATOM 0 HE22 GLN A 25 19.046 3.908 -1.647 1.00 0.00 H new ATOM 342 N LEU A 26 12.614 4.254 -1.435 1.00 0.00 N ATOM 343 CA LEU A 26 11.930 4.225 -2.723 1.00 0.00 C ATOM 344 C LEU A 26 10.782 5.228 -2.753 1.00 0.00 C ATOM 345 O LEU A 26 10.754 6.132 -3.588 1.00 0.00 O ATOM 346 CB LEU A 26 11.403 2.819 -3.013 1.00 0.00 C ATOM 347 CG LEU A 26 12.461 1.736 -3.228 1.00 0.00 C ATOM 348 CD1 LEU A 26 11.851 0.353 -3.060 1.00 0.00 C ATOM 349 CD2 LEU A 26 13.097 1.878 -4.603 1.00 0.00 C ATOM 0 H LEU A 26 12.704 3.343 -0.985 1.00 0.00 H new ATOM 0 HA LEU A 26 12.649 4.502 -3.494 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.764 2.514 -2.184 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.773 2.865 -3.902 1.00 0.00 H new ATOM 0 HG LEU A 26 13.240 1.860 -2.475 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.619 -0.405 -3.217 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.444 0.255 -2.054 1.00 0.00 H new ATOM 0 HD13 LEU A 26 11.052 0.217 -3.789 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.847 1.099 -4.739 1.00 0.00 H new ATOM 0 HD22 LEU A 26 12.329 1.780 -5.371 1.00 0.00 H new ATOM 0 HD23 LEU A 26 13.570 2.856 -4.686 1.00 0.00 H new ATOM 361 N LEU A 27 9.836 5.063 -1.834 1.00 0.00 N ATOM 362 CA LEU A 27 8.685 5.955 -1.754 1.00 0.00 C ATOM 363 C LEU A 27 9.112 7.411 -1.906 1.00 0.00 C ATOM 364 O LEU A 27 8.742 8.079 -2.872 1.00 0.00 O ATOM 365 CB LEU A 27 7.958 5.762 -0.421 1.00 0.00 C ATOM 366 CG LEU A 27 6.889 4.670 -0.391 1.00 0.00 C ATOM 367 CD1 LEU A 27 6.433 4.407 1.036 1.00 0.00 C ATOM 368 CD2 LEU A 27 5.706 5.058 -1.267 1.00 0.00 C ATOM 0 H LEU A 27 9.844 4.320 -1.135 1.00 0.00 H new ATOM 0 HA LEU A 27 8.007 5.707 -2.571 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.700 5.537 0.345 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.491 6.707 -0.145 1.00 0.00 H new ATOM 0 HG LEU A 27 7.324 3.752 -0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.672 3.627 1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.284 4.085 1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.016 5.321 1.459 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.955 4.269 -1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.272 5.988 -0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.043 5.195 -2.294 1.00 0.00 H new ATOM 380 N ARG A 28 9.895 7.897 -0.948 1.00 0.00 N ATOM 381 CA ARG A 28 10.374 9.273 -0.977 1.00 0.00 C ATOM 382 C ARG A 28 11.049 9.586 -2.309 1.00 0.00 C ATOM 383 O ARG A 28 10.620 10.479 -3.038 1.00 0.00 O ATOM 384 CB ARG A 28 11.352 9.520 0.173 1.00 0.00 C ATOM 385 CG ARG A 28 10.743 9.295 1.548 1.00 0.00 C ATOM 386 CD ARG A 28 11.807 9.298 2.635 1.00 0.00 C ATOM 387 NE ARG A 28 11.274 9.739 3.921 1.00 0.00 N ATOM 388 CZ ARG A 28 10.788 10.957 4.137 1.00 0.00 C ATOM 389 NH1 ARG A 28 10.767 11.849 3.157 1.00 0.00 N ATOM 390 NH2 ARG A 28 10.320 11.283 5.335 1.00 0.00 N ATOM 0 H ARG A 28 10.211 7.358 -0.142 1.00 0.00 H new ATOM 0 HA ARG A 28 9.514 9.933 -0.861 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.213 8.863 0.054 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.721 10.544 0.111 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.009 10.074 1.754 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.211 8.344 1.560 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.222 8.295 2.739 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.626 9.953 2.338 1.00 0.00 H new ATOM 0 HE ARG A 28 11.275 9.076 4.696 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.124 11.601 2.234 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.393 12.783 3.325 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.333 10.599 6.091 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.947 12.218 5.500 1.00 0.00 H new ATOM 404 N GLN A 29 12.109 8.844 -2.618 1.00 0.00 N ATOM 405 CA GLN A 29 12.844 9.044 -3.860 1.00 0.00 C ATOM 406 C GLN A 29 11.891 9.312 -5.020 1.00 0.00 C ATOM 407 O GLN A 29 12.054 10.282 -5.762 1.00 0.00 O ATOM 408 CB GLN A 29 13.709 7.820 -4.168 1.00 0.00 C ATOM 409 CG GLN A 29 15.085 7.870 -3.523 1.00 0.00 C ATOM 410 CD GLN A 29 15.999 8.887 -4.176 1.00 0.00 C ATOM 411 OE1 GLN A 29 16.503 9.799 -3.519 1.00 0.00 O ATOM 412 NE2 GLN A 29 16.218 8.738 -5.477 1.00 0.00 N ATOM 0 H GLN A 29 12.477 8.100 -2.025 1.00 0.00 H new ATOM 0 HA GLN A 29 13.489 9.914 -3.735 1.00 0.00 H new ATOM 0 HB2 GLN A 29 13.190 6.924 -3.828 1.00 0.00 H new ATOM 0 HB3 GLN A 29 13.826 7.731 -5.248 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.978 8.110 -2.465 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.545 6.884 -3.581 1.00 0.00 H new ATOM 0 HE21 GLN A 29 15.780 7.968 -5.983 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.824 9.393 -5.971 1.00 0.00 H new ATOM 421 N LYS A 30 10.894 8.447 -5.172 1.00 0.00 N ATOM 422 CA LYS A 30 9.912 8.589 -6.240 1.00 0.00 C ATOM 423 C LYS A 30 9.464 10.041 -6.377 1.00 0.00 C ATOM 424 O LYS A 30 9.687 10.675 -7.407 1.00 0.00 O ATOM 425 CB LYS A 30 8.701 7.694 -5.971 1.00 0.00 C ATOM 426 CG LYS A 30 7.751 7.585 -7.151 1.00 0.00 C ATOM 427 CD LYS A 30 8.253 6.587 -8.181 1.00 0.00 C ATOM 428 CE LYS A 30 7.452 6.666 -9.472 1.00 0.00 C ATOM 429 NZ LYS A 30 8.235 6.183 -10.643 1.00 0.00 N ATOM 0 H LYS A 30 10.745 7.639 -4.568 1.00 0.00 H new ATOM 0 HA LYS A 30 10.382 8.282 -7.174 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.049 6.697 -5.703 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.156 8.083 -5.111 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.765 7.281 -6.799 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.635 8.563 -7.617 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.305 6.779 -8.392 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.189 5.578 -7.773 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.544 6.071 -9.373 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.141 7.697 -9.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.653 6.253 -11.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.089 6.766 -10.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.510 5.192 -10.492 1.00 0.00 H new ATOM 443 N GLY A 31 8.831 10.562 -5.330 1.00 0.00 N ATOM 444 CA GLY A 31 8.362 11.935 -5.354 1.00 0.00 C ATOM 445 C GLY A 31 6.888 12.039 -5.691 1.00 0.00 C ATOM 446 O GLY A 31 6.240 13.037 -5.375 1.00 0.00 O ATOM 0 H GLY A 31 8.635 10.057 -4.466 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.542 12.394 -4.382 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.939 12.500 -6.086 1.00 0.00 H new ATOM 450 N LYS A 32 6.357 11.007 -6.337 1.00 0.00 N ATOM 451 CA LYS A 32 4.950 10.985 -6.719 1.00 0.00 C ATOM 452 C LYS A 32 4.057 11.314 -5.526 1.00 0.00 C ATOM 453 O LYS A 32 3.879 10.492 -4.628 1.00 0.00 O ATOM 454 CB LYS A 32 4.575 9.615 -7.287 1.00 0.00 C ATOM 455 CG LYS A 32 5.185 9.334 -8.649 1.00 0.00 C ATOM 456 CD LYS A 32 4.465 10.095 -9.750 1.00 0.00 C ATOM 457 CE LYS A 32 5.336 10.237 -10.990 1.00 0.00 C ATOM 458 NZ LYS A 32 4.561 10.746 -12.155 1.00 0.00 N ATOM 0 H LYS A 32 6.880 10.174 -6.607 1.00 0.00 H new ATOM 0 HA LYS A 32 4.796 11.744 -7.486 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.894 8.842 -6.589 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.490 9.547 -7.363 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.239 9.613 -8.641 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.140 8.265 -8.855 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.542 9.576 -10.009 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.183 11.083 -9.387 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.162 10.916 -10.778 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.774 9.270 -11.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.189 10.829 -12.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.788 10.085 -12.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.164 11.680 -11.927 1.00 0.00 H new ATOM 472 N GLU A 33 3.497 12.520 -5.526 1.00 0.00 N ATOM 473 CA GLU A 33 2.623 12.957 -4.444 1.00 0.00 C ATOM 474 C GLU A 33 1.588 11.884 -4.116 1.00 0.00 C ATOM 475 O GLU A 33 0.885 11.393 -4.998 1.00 0.00 O ATOM 476 CB GLU A 33 1.920 14.261 -4.821 1.00 0.00 C ATOM 477 CG GLU A 33 2.772 15.499 -4.597 1.00 0.00 C ATOM 478 CD GLU A 33 1.940 16.753 -4.408 1.00 0.00 C ATOM 479 OE1 GLU A 33 1.236 17.147 -5.360 1.00 0.00 O ATOM 480 OE2 GLU A 33 1.994 17.340 -3.307 1.00 0.00 O ATOM 0 H GLU A 33 3.633 13.211 -6.263 1.00 0.00 H new ATOM 0 HA GLU A 33 3.238 13.128 -3.560 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.628 14.216 -5.870 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.003 14.351 -4.239 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.401 15.349 -3.719 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.439 15.635 -5.448 1.00 0.00 H new ATOM 487 N GLY A 34 1.501 11.524 -2.838 1.00 0.00 N ATOM 488 CA GLY A 34 0.550 10.512 -2.416 1.00 0.00 C ATOM 489 C GLY A 34 0.841 9.154 -3.022 1.00 0.00 C ATOM 490 O GLY A 34 -0.075 8.380 -3.295 1.00 0.00 O ATOM 0 H GLY A 34 2.072 11.915 -2.089 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.567 10.433 -1.329 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.456 10.824 -2.697 1.00 0.00 H new ATOM 494 N ALA A 35 2.121 8.865 -3.236 1.00 0.00 N ATOM 495 CA ALA A 35 2.530 7.590 -3.813 1.00 0.00 C ATOM 496 C ALA A 35 2.161 6.429 -2.897 1.00 0.00 C ATOM 497 O ALA A 35 1.910 6.619 -1.708 1.00 0.00 O ATOM 498 CB ALA A 35 4.026 7.593 -4.089 1.00 0.00 C ATOM 0 H ALA A 35 2.892 9.496 -3.018 1.00 0.00 H new ATOM 0 HA ALA A 35 1.998 7.457 -4.755 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.318 6.635 -4.520 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.265 8.394 -4.789 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.568 7.752 -3.157 1.00 0.00 H new ATOM 504 N PHE A 36 2.127 5.226 -3.461 1.00 0.00 N ATOM 505 CA PHE A 36 1.786 4.032 -2.695 1.00 0.00 C ATOM 506 C PHE A 36 2.519 2.809 -3.239 1.00 0.00 C ATOM 507 O PHE A 36 2.978 2.804 -4.381 1.00 0.00 O ATOM 508 CB PHE A 36 0.275 3.793 -2.729 1.00 0.00 C ATOM 509 CG PHE A 36 -0.173 2.955 -3.893 1.00 0.00 C ATOM 510 CD1 PHE A 36 -0.471 3.542 -5.112 1.00 0.00 C ATOM 511 CD2 PHE A 36 -0.295 1.580 -3.767 1.00 0.00 C ATOM 512 CE1 PHE A 36 -0.885 2.773 -6.184 1.00 0.00 C ATOM 513 CE2 PHE A 36 -0.708 0.807 -4.836 1.00 0.00 C ATOM 514 CZ PHE A 36 -1.001 1.403 -6.046 1.00 0.00 C ATOM 0 H PHE A 36 2.331 5.052 -4.445 1.00 0.00 H new ATOM 0 HA PHE A 36 2.098 4.191 -1.663 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.029 3.306 -1.802 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.236 4.755 -2.766 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.379 4.612 -5.226 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.065 1.108 -2.823 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.117 3.243 -7.128 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.801 -0.263 -4.724 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.320 0.800 -6.883 1.00 0.00 H new ATOM 524 N MET A 37 2.623 1.774 -2.412 1.00 0.00 N ATOM 525 CA MET A 37 3.299 0.544 -2.810 1.00 0.00 C ATOM 526 C MET A 37 2.869 -0.622 -1.927 1.00 0.00 C ATOM 527 O MET A 37 2.014 -0.472 -1.053 1.00 0.00 O ATOM 528 CB MET A 37 4.816 0.724 -2.734 1.00 0.00 C ATOM 529 CG MET A 37 5.346 0.832 -1.313 1.00 0.00 C ATOM 530 SD MET A 37 7.034 0.220 -1.153 1.00 0.00 S ATOM 531 CE MET A 37 7.857 1.155 -2.440 1.00 0.00 C ATOM 0 H MET A 37 2.248 1.762 -1.463 1.00 0.00 H new ATOM 0 HA MET A 37 3.018 0.320 -3.839 1.00 0.00 H new ATOM 0 HB2 MET A 37 5.299 -0.118 -3.230 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.095 1.621 -3.286 1.00 0.00 H new ATOM 0 HG2 MET A 37 5.310 1.874 -0.994 1.00 0.00 H new ATOM 0 HG3 MET A 37 4.695 0.270 -0.643 1.00 0.00 H new ATOM 0 HE1 MET A 37 8.930 1.169 -2.250 1.00 0.00 H new ATOM 0 HE2 MET A 37 7.666 0.689 -3.407 1.00 0.00 H new ATOM 0 HE3 MET A 37 7.476 2.176 -2.448 1.00 0.00 H new ATOM 541 N VAL A 38 3.466 -1.787 -2.161 1.00 0.00 N ATOM 542 CA VAL A 38 3.144 -2.980 -1.386 1.00 0.00 C ATOM 543 C VAL A 38 4.314 -3.958 -1.371 1.00 0.00 C ATOM 544 O VAL A 38 4.833 -4.335 -2.421 1.00 0.00 O ATOM 545 CB VAL A 38 1.900 -3.694 -1.945 1.00 0.00 C ATOM 546 CG1 VAL A 38 1.604 -4.956 -1.148 1.00 0.00 C ATOM 547 CG2 VAL A 38 0.701 -2.758 -1.941 1.00 0.00 C ATOM 0 H VAL A 38 4.175 -1.930 -2.881 1.00 0.00 H new ATOM 0 HA VAL A 38 2.937 -2.650 -0.368 1.00 0.00 H new ATOM 0 HB VAL A 38 2.102 -3.984 -2.976 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.721 -5.447 -1.558 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.456 -5.633 -1.208 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.422 -4.694 -0.106 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.169 -3.280 -2.339 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.495 -2.435 -0.921 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.917 -1.887 -2.560 1.00 0.00 H new ATOM 557 N ARG A 39 4.725 -4.363 -0.174 1.00 0.00 N ATOM 558 CA ARG A 39 5.834 -5.296 -0.022 1.00 0.00 C ATOM 559 C ARG A 39 5.326 -6.692 0.331 1.00 0.00 C ATOM 560 O ARG A 39 4.163 -6.866 0.690 1.00 0.00 O ATOM 561 CB ARG A 39 6.798 -4.804 1.059 1.00 0.00 C ATOM 562 CG ARG A 39 6.167 -4.701 2.437 1.00 0.00 C ATOM 563 CD ARG A 39 6.849 -3.638 3.284 1.00 0.00 C ATOM 564 NE ARG A 39 6.727 -3.915 4.712 1.00 0.00 N ATOM 565 CZ ARG A 39 7.005 -3.025 5.660 1.00 0.00 C ATOM 566 NH1 ARG A 39 7.416 -1.809 5.332 1.00 0.00 N ATOM 567 NH2 ARG A 39 6.870 -3.352 6.938 1.00 0.00 N ATOM 0 H ARG A 39 4.306 -4.059 0.705 1.00 0.00 H new ATOM 0 HA ARG A 39 6.363 -5.350 -0.973 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.651 -5.481 1.109 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.184 -3.826 0.772 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.108 -4.464 2.337 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.231 -5.666 2.941 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.904 -3.581 3.015 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.411 -2.664 3.065 1.00 0.00 H new ATOM 0 HE ARG A 39 6.411 -4.842 4.998 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.520 -1.553 4.350 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.628 -1.128 6.061 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.553 -4.287 7.194 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.083 -2.669 7.665 1.00 0.00 H new ATOM 581 N ASN A 40 6.207 -7.681 0.226 1.00 0.00 N ATOM 582 CA ASN A 40 5.849 -9.061 0.534 1.00 0.00 C ATOM 583 C ASN A 40 6.256 -9.424 1.959 1.00 0.00 C ATOM 584 O ASN A 40 7.408 -9.243 2.351 1.00 0.00 O ATOM 585 CB ASN A 40 6.515 -10.016 -0.458 1.00 0.00 C ATOM 586 CG ASN A 40 5.868 -11.388 -0.463 1.00 0.00 C ATOM 587 OD1 ASN A 40 5.016 -11.687 0.374 1.00 0.00 O ATOM 588 ND2 ASN A 40 6.273 -12.228 -1.408 1.00 0.00 N ATOM 0 H ASN A 40 7.175 -7.553 -0.070 1.00 0.00 H new ATOM 0 HA ASN A 40 4.767 -9.157 0.449 1.00 0.00 H new ATOM 0 HB2 ASN A 40 6.463 -9.589 -1.460 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.571 -10.116 -0.208 1.00 0.00 H new ATOM 0 HD21 ASN A 40 5.875 -13.166 -1.462 1.00 0.00 H new ATOM 0 HD22 ASN A 40 6.982 -11.936 -2.080 1.00 0.00 H new ATOM 595 N SER A 41 5.302 -9.938 2.728 1.00 0.00 N ATOM 596 CA SER A 41 5.559 -10.324 4.111 1.00 0.00 C ATOM 597 C SER A 41 5.598 -11.843 4.252 1.00 0.00 C ATOM 598 O SER A 41 5.424 -12.573 3.277 1.00 0.00 O ATOM 599 CB SER A 41 4.487 -9.742 5.033 1.00 0.00 C ATOM 600 OG SER A 41 4.462 -8.327 4.957 1.00 0.00 O ATOM 0 H SER A 41 4.344 -10.097 2.417 1.00 0.00 H new ATOM 0 HA SER A 41 6.531 -9.924 4.399 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.511 -10.141 4.758 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.680 -10.051 6.060 1.00 0.00 H new ATOM 0 HG SER A 41 3.767 -7.980 5.554 1.00 0.00 H new ATOM 657 N MET A 46 -0.165 -12.876 5.010 1.00 0.00 N ATOM 658 CA MET A 46 -0.019 -11.514 5.510 1.00 0.00 C ATOM 659 C MET A 46 0.631 -10.617 4.463 1.00 0.00 C ATOM 660 O MET A 46 1.259 -11.101 3.521 1.00 0.00 O ATOM 661 CB MET A 46 0.813 -11.507 6.795 1.00 0.00 C ATOM 662 CG MET A 46 0.081 -12.081 7.997 1.00 0.00 C ATOM 663 SD MET A 46 0.616 -11.344 9.553 1.00 0.00 S ATOM 664 CE MET A 46 -0.960 -11.091 10.367 1.00 0.00 C ATOM 0 HA MET A 46 -1.013 -11.124 5.728 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.726 -12.078 6.630 1.00 0.00 H new ATOM 0 HB3 MET A 46 1.113 -10.483 7.018 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.991 -11.923 7.874 1.00 0.00 H new ATOM 0 HG3 MET A 46 0.242 -13.158 8.035 1.00 0.00 H new ATOM 0 HE1 MET A 46 -0.796 -10.640 11.346 1.00 0.00 H new ATOM 0 HE2 MET A 46 -1.580 -10.430 9.762 1.00 0.00 H new ATOM 0 HE3 MET A 46 -1.464 -12.050 10.489 1.00 0.00 H new ATOM 674 N TYR A 47 0.477 -9.309 4.634 1.00 0.00 N ATOM 675 CA TYR A 47 1.048 -8.344 3.702 1.00 0.00 C ATOM 676 C TYR A 47 1.069 -6.945 4.310 1.00 0.00 C ATOM 677 O TYR A 47 0.283 -6.632 5.206 1.00 0.00 O ATOM 678 CB TYR A 47 0.251 -8.332 2.396 1.00 0.00 C ATOM 679 CG TYR A 47 0.730 -9.349 1.385 1.00 0.00 C ATOM 680 CD1 TYR A 47 1.790 -9.065 0.533 1.00 0.00 C ATOM 681 CD2 TYR A 47 0.122 -10.595 1.282 1.00 0.00 C ATOM 682 CE1 TYR A 47 2.231 -9.990 -0.393 1.00 0.00 C ATOM 683 CE2 TYR A 47 0.557 -11.527 0.360 1.00 0.00 C ATOM 684 CZ TYR A 47 1.612 -11.220 -0.474 1.00 0.00 C ATOM 685 OH TYR A 47 2.048 -12.146 -1.395 1.00 0.00 O ATOM 0 H TYR A 47 -0.038 -8.892 5.409 1.00 0.00 H new ATOM 0 HA TYR A 47 2.074 -8.644 3.492 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.799 -8.521 2.619 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.309 -7.337 1.954 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.278 -8.104 0.596 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.704 -10.838 1.934 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.055 -9.752 -1.049 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.074 -12.491 0.292 1.00 0.00 H new ATOM 0 HH TYR A 47 1.507 -12.960 -1.322 1.00 0.00 H new ATOM 695 N THR A 48 1.974 -6.105 3.817 1.00 0.00 N ATOM 696 CA THR A 48 2.099 -4.740 4.310 1.00 0.00 C ATOM 697 C THR A 48 2.014 -3.733 3.170 1.00 0.00 C ATOM 698 O THR A 48 2.727 -3.847 2.172 1.00 0.00 O ATOM 699 CB THR A 48 3.427 -4.534 5.064 1.00 0.00 C ATOM 700 OG1 THR A 48 3.518 -5.456 6.157 1.00 0.00 O ATOM 701 CG2 THR A 48 3.539 -3.109 5.585 1.00 0.00 C ATOM 0 H THR A 48 2.632 -6.347 3.076 1.00 0.00 H new ATOM 0 HA THR A 48 1.270 -4.576 4.998 1.00 0.00 H new ATOM 0 HB THR A 48 4.246 -4.714 4.368 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.365 -5.320 6.630 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.485 -2.988 6.114 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.499 -2.412 4.748 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.714 -2.905 6.267 1.00 0.00 H new ATOM 709 N VAL A 49 1.138 -2.745 3.323 1.00 0.00 N ATOM 710 CA VAL A 49 0.962 -1.716 2.305 1.00 0.00 C ATOM 711 C VAL A 49 1.499 -0.372 2.784 1.00 0.00 C ATOM 712 O VAL A 49 0.849 0.330 3.558 1.00 0.00 O ATOM 713 CB VAL A 49 -0.521 -1.555 1.920 1.00 0.00 C ATOM 714 CG1 VAL A 49 -0.688 -0.451 0.888 1.00 0.00 C ATOM 715 CG2 VAL A 49 -1.082 -2.870 1.402 1.00 0.00 C ATOM 0 H VAL A 49 0.539 -2.635 4.142 1.00 0.00 H new ATOM 0 HA VAL A 49 1.525 -2.038 1.429 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.081 -1.273 2.811 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.742 -0.352 0.628 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.326 0.491 1.301 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.116 -0.699 -0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.130 -2.738 1.135 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.520 -3.184 0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.998 -3.632 2.177 1.00 0.00 H new ATOM 725 N SER A 50 2.693 -0.018 2.316 1.00 0.00 N ATOM 726 CA SER A 50 3.321 1.242 2.699 1.00 0.00 C ATOM 727 C SER A 50 3.137 2.294 1.610 1.00 0.00 C ATOM 728 O SER A 50 3.417 2.045 0.437 1.00 0.00 O ATOM 729 CB SER A 50 4.811 1.030 2.973 1.00 0.00 C ATOM 730 OG SER A 50 5.009 0.108 4.031 1.00 0.00 O ATOM 0 H SER A 50 3.244 -0.585 1.672 1.00 0.00 H new ATOM 0 HA SER A 50 2.838 1.599 3.609 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.301 0.664 2.071 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.277 1.983 3.225 1.00 0.00 H new ATOM 0 HG SER A 50 5.969 -0.011 4.185 1.00 0.00 H new ATOM 736 N LEU A 51 2.664 3.470 2.006 1.00 0.00 N ATOM 737 CA LEU A 51 2.442 4.562 1.066 1.00 0.00 C ATOM 738 C LEU A 51 2.992 5.874 1.614 1.00 0.00 C ATOM 739 O LEU A 51 3.035 6.083 2.826 1.00 0.00 O ATOM 740 CB LEU A 51 0.949 4.708 0.766 1.00 0.00 C ATOM 741 CG LEU A 51 0.125 5.467 1.808 1.00 0.00 C ATOM 742 CD1 LEU A 51 0.096 6.953 1.484 1.00 0.00 C ATOM 743 CD2 LEU A 51 -1.287 4.907 1.883 1.00 0.00 C ATOM 0 H LEU A 51 2.427 3.692 2.973 1.00 0.00 H new ATOM 0 HA LEU A 51 2.971 4.326 0.143 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.840 5.214 -0.193 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.523 3.711 0.651 1.00 0.00 H new ATOM 0 HG LEU A 51 0.597 5.337 2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.494 7.478 2.235 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.113 7.345 1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.352 7.102 0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.858 5.459 2.629 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.770 5.006 0.911 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.247 3.854 2.163 1.00 0.00 H new ATOM 755 N PHE A 52 3.412 6.757 0.713 1.00 0.00 N ATOM 756 CA PHE A 52 3.957 8.051 1.106 1.00 0.00 C ATOM 757 C PHE A 52 2.935 9.162 0.887 1.00 0.00 C ATOM 758 O PHE A 52 2.175 9.140 -0.080 1.00 0.00 O ATOM 759 CB PHE A 52 5.232 8.351 0.314 1.00 0.00 C ATOM 760 CG PHE A 52 5.558 9.815 0.236 1.00 0.00 C ATOM 761 CD1 PHE A 52 6.265 10.436 1.253 1.00 0.00 C ATOM 762 CD2 PHE A 52 5.156 10.570 -0.854 1.00 0.00 C ATOM 763 CE1 PHE A 52 6.566 11.784 1.183 1.00 0.00 C ATOM 764 CE2 PHE A 52 5.455 11.918 -0.929 1.00 0.00 C ATOM 765 CZ PHE A 52 6.160 12.526 0.091 1.00 0.00 C ATOM 0 H PHE A 52 3.385 6.599 -0.294 1.00 0.00 H new ATOM 0 HA PHE A 52 4.198 8.009 2.168 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.068 7.825 0.774 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.124 7.957 -0.696 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.584 9.861 2.110 1.00 0.00 H new ATOM 0 HD2 PHE A 52 4.603 10.100 -1.654 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.118 12.256 1.982 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.137 12.495 -1.785 1.00 0.00 H new ATOM 0 HZ PHE A 52 6.393 13.579 0.035 1.00 0.00 H new ATOM 775 N SER A 53 2.924 10.134 1.795 1.00 0.00 N ATOM 776 CA SER A 53 1.993 11.252 1.705 1.00 0.00 C ATOM 777 C SER A 53 2.695 12.570 2.024 1.00 0.00 C ATOM 778 O SER A 53 3.507 12.647 2.945 1.00 0.00 O ATOM 779 CB SER A 53 0.818 11.043 2.661 1.00 0.00 C ATOM 780 OG SER A 53 -0.101 12.118 2.582 1.00 0.00 O ATOM 0 H SER A 53 3.549 10.169 2.600 1.00 0.00 H new ATOM 0 HA SER A 53 1.617 11.298 0.683 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.311 10.109 2.420 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.188 10.951 3.682 1.00 0.00 H new ATOM 0 HG SER A 53 -0.844 11.960 3.201 1.00 0.00 H new ATOM 786 N LYS A 54 2.374 13.605 1.254 1.00 0.00 N ATOM 787 CA LYS A 54 2.970 14.921 1.453 1.00 0.00 C ATOM 788 C LYS A 54 1.951 15.898 2.029 1.00 0.00 C ATOM 789 O LYS A 54 0.808 15.955 1.577 1.00 0.00 O ATOM 790 CB LYS A 54 3.519 15.459 0.131 1.00 0.00 C ATOM 791 CG LYS A 54 3.961 16.911 0.202 1.00 0.00 C ATOM 792 CD LYS A 54 5.401 17.033 0.673 1.00 0.00 C ATOM 793 CE LYS A 54 5.696 18.427 1.204 1.00 0.00 C ATOM 794 NZ LYS A 54 6.860 18.430 2.133 1.00 0.00 N ATOM 0 H LYS A 54 1.704 13.557 0.486 1.00 0.00 H new ATOM 0 HA LYS A 54 3.790 14.818 2.164 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.365 14.845 -0.178 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.754 15.358 -0.639 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.858 17.372 -0.780 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.307 17.459 0.881 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.594 16.297 1.453 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.076 16.806 -0.153 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.895 19.099 0.369 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.817 18.813 1.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.030 19.398 2.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.660 17.808 2.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.704 18.086 1.633 1.00 0.00 H new ATOM 904 N GLY A 61 7.774 15.104 4.311 1.00 0.00 N ATOM 905 CA GLY A 61 6.606 14.263 4.128 1.00 0.00 C ATOM 906 C GLY A 61 6.536 13.138 5.142 1.00 0.00 C ATOM 907 O GLY A 61 7.547 12.764 5.736 1.00 0.00 O ATOM 0 HA2 GLY A 61 5.707 14.874 4.205 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.620 13.842 3.123 1.00 0.00 H new ATOM 911 N THR A 62 5.337 12.599 5.344 1.00 0.00 N ATOM 912 CA THR A 62 5.139 11.512 6.295 1.00 0.00 C ATOM 913 C THR A 62 4.801 10.210 5.579 1.00 0.00 C ATOM 914 O THR A 62 4.059 10.204 4.597 1.00 0.00 O ATOM 915 CB THR A 62 4.016 11.842 7.296 1.00 0.00 C ATOM 916 OG1 THR A 62 4.240 13.131 7.879 1.00 0.00 O ATOM 917 CG2 THR A 62 3.944 10.790 8.394 1.00 0.00 C ATOM 0 H THR A 62 4.489 12.898 4.862 1.00 0.00 H new ATOM 0 HA THR A 62 6.076 11.391 6.838 1.00 0.00 H new ATOM 0 HB THR A 62 3.069 11.848 6.756 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.520 13.333 8.513 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.144 11.044 9.089 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.744 9.815 7.951 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.893 10.757 8.929 1.00 0.00 H new ATOM 925 N VAL A 63 5.349 9.106 6.079 1.00 0.00 N ATOM 926 CA VAL A 63 5.103 7.796 5.487 1.00 0.00 C ATOM 927 C VAL A 63 4.302 6.908 6.432 1.00 0.00 C ATOM 928 O VAL A 63 4.731 6.627 7.552 1.00 0.00 O ATOM 929 CB VAL A 63 6.423 7.087 5.128 1.00 0.00 C ATOM 930 CG1 VAL A 63 6.148 5.695 4.580 1.00 0.00 C ATOM 931 CG2 VAL A 63 7.218 7.915 4.130 1.00 0.00 C ATOM 0 H VAL A 63 5.965 9.093 6.892 1.00 0.00 H new ATOM 0 HA VAL A 63 4.529 7.962 4.576 1.00 0.00 H new ATOM 0 HB VAL A 63 7.019 6.984 6.035 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.091 5.209 4.332 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.623 5.105 5.331 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.533 5.772 3.684 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.147 7.399 3.888 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.631 8.052 3.222 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.446 8.888 4.565 1.00 0.00 H new ATOM 941 N LYS A 64 3.135 6.468 5.975 1.00 0.00 N ATOM 942 CA LYS A 64 2.272 5.610 6.778 1.00 0.00 C ATOM 943 C LYS A 64 2.474 4.142 6.414 1.00 0.00 C ATOM 944 O LYS A 64 2.663 3.802 5.245 1.00 0.00 O ATOM 945 CB LYS A 64 0.805 5.998 6.579 1.00 0.00 C ATOM 946 CG LYS A 64 0.408 7.265 7.317 1.00 0.00 C ATOM 947 CD LYS A 64 -0.771 7.953 6.647 1.00 0.00 C ATOM 948 CE LYS A 64 -0.780 9.447 6.932 1.00 0.00 C ATOM 949 NZ LYS A 64 -1.510 9.767 8.190 1.00 0.00 N ATOM 0 H LYS A 64 2.765 6.692 5.051 1.00 0.00 H new ATOM 0 HA LYS A 64 2.539 5.747 7.826 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.614 6.132 5.514 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.171 5.177 6.915 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.151 7.022 8.348 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.257 7.948 7.353 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.727 7.787 5.571 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.702 7.509 7.000 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.246 9.809 7.005 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.245 9.973 6.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.494 10.795 8.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.496 9.444 8.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.051 9.286 8.990 1.00 0.00 H new ATOM 963 N HIS A 65 2.432 3.276 7.421 1.00 0.00 N ATOM 964 CA HIS A 65 2.607 1.844 7.206 1.00 0.00 C ATOM 965 C HIS A 65 1.350 1.077 7.599 1.00 0.00 C ATOM 966 O HIS A 65 0.789 1.293 8.674 1.00 0.00 O ATOM 967 CB HIS A 65 3.804 1.330 8.007 1.00 0.00 C ATOM 968 CG HIS A 65 4.051 2.094 9.272 1.00 0.00 C ATOM 969 ND1 HIS A 65 5.262 2.681 9.572 1.00 0.00 N ATOM 970 CD2 HIS A 65 3.233 2.368 10.315 1.00 0.00 C ATOM 971 CE1 HIS A 65 5.179 3.280 10.747 1.00 0.00 C ATOM 972 NE2 HIS A 65 3.958 3.106 11.218 1.00 0.00 N ATOM 0 H HIS A 65 2.278 3.541 8.394 1.00 0.00 H new ATOM 0 HA HIS A 65 2.792 1.681 6.144 1.00 0.00 H new ATOM 0 HB2 HIS A 65 3.643 0.280 8.252 1.00 0.00 H new ATOM 0 HB3 HIS A 65 4.696 1.379 7.383 1.00 0.00 H new ATOM 0 HD2 HIS A 65 2.202 2.063 10.418 1.00 0.00 H new ATOM 0 HE1 HIS A 65 5.975 3.820 11.238 1.00 0.00 H new ATOM 0 HE2 HIS A 65 3.610 3.462 12.108 1.00 0.00 H new ATOM 981 N TYR A 66 0.911 0.181 6.722 1.00 0.00 N ATOM 982 CA TYR A 66 -0.284 -0.617 6.977 1.00 0.00 C ATOM 983 C TYR A 66 0.023 -2.106 6.870 1.00 0.00 C ATOM 984 O TYR A 66 0.932 -2.515 6.146 1.00 0.00 O ATOM 985 CB TYR A 66 -1.393 -0.241 5.993 1.00 0.00 C ATOM 986 CG TYR A 66 -1.826 1.204 6.092 1.00 0.00 C ATOM 987 CD1 TYR A 66 -2.639 1.636 7.133 1.00 0.00 C ATOM 988 CD2 TYR A 66 -1.424 2.138 5.145 1.00 0.00 C ATOM 989 CE1 TYR A 66 -3.038 2.956 7.228 1.00 0.00 C ATOM 990 CE2 TYR A 66 -1.818 3.459 5.232 1.00 0.00 C ATOM 991 CZ TYR A 66 -2.624 3.863 6.276 1.00 0.00 C ATOM 992 OH TYR A 66 -3.020 5.178 6.365 1.00 0.00 O ATOM 0 H TYR A 66 1.364 -0.011 5.829 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.621 -0.406 7.992 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.049 -0.440 4.978 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -2.256 -0.883 6.169 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -2.965 0.928 7.881 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.792 1.826 4.327 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.670 3.275 8.043 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.497 4.172 4.487 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.641 5.685 5.617 1.00 0.00 H new ATOM 1002 N HIS A 67 -0.742 -2.916 7.596 1.00 0.00 N ATOM 1003 CA HIS A 67 -0.554 -4.362 7.583 1.00 0.00 C ATOM 1004 C HIS A 67 -1.849 -5.075 7.205 1.00 0.00 C ATOM 1005 O HIS A 67 -2.776 -5.168 8.010 1.00 0.00 O ATOM 1006 CB HIS A 67 -0.070 -4.847 8.950 1.00 0.00 C ATOM 1007 CG HIS A 67 1.175 -4.163 9.423 1.00 0.00 C ATOM 1008 ND1 HIS A 67 2.362 -4.830 9.644 1.00 0.00 N ATOM 1009 CD2 HIS A 67 1.415 -2.864 9.714 1.00 0.00 C ATOM 1010 CE1 HIS A 67 3.277 -3.970 10.054 1.00 0.00 C ATOM 1011 NE2 HIS A 67 2.728 -2.770 10.105 1.00 0.00 N ATOM 0 H HIS A 67 -1.498 -2.595 8.201 1.00 0.00 H new ATOM 0 HA HIS A 67 0.202 -4.599 6.834 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.861 -4.690 9.683 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.111 -5.921 8.902 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.706 -2.052 9.651 1.00 0.00 H new ATOM 0 HE1 HIS A 67 4.300 -4.208 10.305 1.00 0.00 H new ATOM 0 HE2 HIS A 67 3.202 -1.913 10.389 1.00 0.00 H new ATOM 1020 N VAL A 68 -1.905 -5.576 5.976 1.00 0.00 N ATOM 1021 CA VAL A 68 -3.087 -6.280 5.491 1.00 0.00 C ATOM 1022 C VAL A 68 -3.753 -7.071 6.612 1.00 0.00 C ATOM 1023 O VAL A 68 -3.297 -8.155 6.978 1.00 0.00 O ATOM 1024 CB VAL A 68 -2.734 -7.241 4.340 1.00 0.00 C ATOM 1025 CG1 VAL A 68 -3.947 -8.072 3.947 1.00 0.00 C ATOM 1026 CG2 VAL A 68 -2.199 -6.467 3.145 1.00 0.00 C ATOM 0 H VAL A 68 -1.146 -5.508 5.298 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.779 -5.522 5.123 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.954 -7.920 4.683 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.679 -8.745 3.133 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.282 -8.656 4.805 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.751 -7.411 3.622 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.955 -7.162 2.341 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.956 -5.763 2.799 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.302 -5.921 3.437 1.00 0.00 H new ATOM 1036 N HIS A 69 -4.836 -6.521 7.153 1.00 0.00 N ATOM 1037 CA HIS A 69 -5.567 -7.176 8.232 1.00 0.00 C ATOM 1038 C HIS A 69 -6.229 -8.459 7.739 1.00 0.00 C ATOM 1039 O HIS A 69 -6.764 -8.508 6.631 1.00 0.00 O ATOM 1040 CB HIS A 69 -6.624 -6.231 8.807 1.00 0.00 C ATOM 1041 CG HIS A 69 -6.045 -5.080 9.571 1.00 0.00 C ATOM 1042 ND1 HIS A 69 -5.058 -5.228 10.523 1.00 0.00 N ATOM 1043 CD2 HIS A 69 -6.319 -3.756 9.519 1.00 0.00 C ATOM 1044 CE1 HIS A 69 -4.751 -4.046 11.024 1.00 0.00 C ATOM 1045 NE2 HIS A 69 -5.502 -3.135 10.431 1.00 0.00 N ATOM 0 H HIS A 69 -5.226 -5.625 6.862 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.855 -7.434 9.016 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.236 -5.845 7.992 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -7.286 -6.796 9.463 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -7.045 -3.277 8.879 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -4.012 -3.856 11.788 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.479 -2.133 10.620 1.00 0.00 H new ATOM 1054 N THR A 70 -6.189 -9.496 8.570 1.00 0.00 N ATOM 1055 CA THR A 70 -6.783 -10.781 8.219 1.00 0.00 C ATOM 1056 C THR A 70 -7.963 -11.107 9.126 1.00 0.00 C ATOM 1057 O THR A 70 -7.834 -11.111 10.350 1.00 0.00 O ATOM 1058 CB THR A 70 -5.750 -11.920 8.307 1.00 0.00 C ATOM 1059 OG1 THR A 70 -4.518 -11.513 7.702 1.00 0.00 O ATOM 1060 CG2 THR A 70 -6.269 -13.175 7.619 1.00 0.00 C ATOM 0 H THR A 70 -5.751 -9.471 9.491 1.00 0.00 H new ATOM 0 HA THR A 70 -7.133 -10.698 7.190 1.00 0.00 H new ATOM 0 HB THR A 70 -5.579 -12.145 9.360 1.00 0.00 H new ATOM 0 HG1 THR A 70 -3.866 -12.242 7.764 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.523 -13.966 7.694 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.191 -13.499 8.101 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.465 -12.959 6.569 1.00 0.00 H new ATOM 1068 N ASN A 71 -9.113 -11.382 8.518 1.00 0.00 N ATOM 1069 CA ASN A 71 -10.316 -11.711 9.274 1.00 0.00 C ATOM 1070 C ASN A 71 -10.340 -13.190 9.643 1.00 0.00 C ATOM 1071 O ASN A 71 -9.390 -13.923 9.372 1.00 0.00 O ATOM 1072 CB ASN A 71 -11.565 -11.356 8.463 1.00 0.00 C ATOM 1073 CG ASN A 71 -12.766 -11.075 9.345 1.00 0.00 C ATOM 1074 OD1 ASN A 71 -12.696 -11.201 10.567 1.00 0.00 O ATOM 1075 ND2 ASN A 71 -13.877 -10.692 8.726 1.00 0.00 N ATOM 0 H ASN A 71 -9.237 -11.384 7.506 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.308 -11.126 10.194 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -11.358 -10.481 7.846 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -11.800 -12.176 7.785 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -14.718 -10.489 9.266 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -13.889 -10.601 7.710 1.00 0.00 H new ATOM 1082 N ALA A 72 -11.434 -13.623 10.262 1.00 0.00 N ATOM 1083 CA ALA A 72 -11.583 -15.016 10.666 1.00 0.00 C ATOM 1084 C ALA A 72 -11.491 -15.949 9.463 1.00 0.00 C ATOM 1085 O ALA A 72 -10.864 -17.005 9.532 1.00 0.00 O ATOM 1086 CB ALA A 72 -12.905 -15.216 11.391 1.00 0.00 C ATOM 0 H ALA A 72 -12.230 -13.029 10.495 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.767 -15.261 11.346 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.003 -16.260 11.687 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -12.933 -14.583 12.278 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -13.728 -14.948 10.728 1.00 0.00 H new ATOM 1092 N GLU A 73 -12.120 -15.551 8.362 1.00 0.00 N ATOM 1093 CA GLU A 73 -12.110 -16.354 7.145 1.00 0.00 C ATOM 1094 C GLU A 73 -10.916 -15.993 6.265 1.00 0.00 C ATOM 1095 O GLU A 73 -10.978 -16.105 5.041 1.00 0.00 O ATOM 1096 CB GLU A 73 -13.411 -16.155 6.364 1.00 0.00 C ATOM 1097 CG GLU A 73 -14.633 -16.727 7.064 1.00 0.00 C ATOM 1098 CD GLU A 73 -14.872 -18.185 6.722 1.00 0.00 C ATOM 1099 OE1 GLU A 73 -15.432 -18.455 5.638 1.00 0.00 O ATOM 1100 OE2 GLU A 73 -14.501 -19.055 7.537 1.00 0.00 O ATOM 0 H GLU A 73 -12.643 -14.678 8.288 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.025 -17.402 7.433 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -13.565 -15.089 6.195 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.312 -16.622 5.384 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -14.510 -16.626 8.142 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -15.512 -16.144 6.788 1.00 0.00 H new ATOM 1107 N ASN A 74 -9.832 -15.559 6.898 1.00 0.00 N ATOM 1108 CA ASN A 74 -8.624 -15.180 6.174 1.00 0.00 C ATOM 1109 C ASN A 74 -8.924 -14.091 5.147 1.00 0.00 C ATOM 1110 O ASN A 74 -8.388 -14.102 4.040 1.00 0.00 O ATOM 1111 CB ASN A 74 -8.018 -16.399 5.478 1.00 0.00 C ATOM 1112 CG ASN A 74 -6.828 -16.038 4.609 1.00 0.00 C ATOM 1113 OD1 ASN A 74 -6.123 -15.065 4.877 1.00 0.00 O ATOM 1114 ND2 ASN A 74 -6.602 -16.821 3.561 1.00 0.00 N ATOM 0 H ASN A 74 -9.765 -15.461 7.911 1.00 0.00 H new ATOM 0 HA ASN A 74 -7.907 -14.788 6.895 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.709 -17.126 6.229 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.780 -16.879 4.864 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -5.817 -16.627 2.939 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.213 -17.617 3.378 1.00 0.00 H new ATOM 1121 N LYS A 75 -9.785 -13.151 5.524 1.00 0.00 N ATOM 1122 CA LYS A 75 -10.156 -12.054 4.639 1.00 0.00 C ATOM 1123 C LYS A 75 -9.146 -10.915 4.732 1.00 0.00 C ATOM 1124 O LYS A 75 -8.906 -10.370 5.811 1.00 0.00 O ATOM 1125 CB LYS A 75 -11.554 -11.540 4.989 1.00 0.00 C ATOM 1126 CG LYS A 75 -12.615 -12.628 5.006 1.00 0.00 C ATOM 1127 CD LYS A 75 -14.009 -12.050 4.829 1.00 0.00 C ATOM 1128 CE LYS A 75 -15.063 -12.924 5.491 1.00 0.00 C ATOM 1129 NZ LYS A 75 -15.575 -13.971 4.563 1.00 0.00 N ATOM 0 H LYS A 75 -10.239 -13.128 6.437 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.160 -12.430 3.616 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.521 -11.060 5.967 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.842 -10.775 4.268 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -12.414 -13.346 4.211 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.563 -13.173 5.948 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.045 -11.048 5.256 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -14.231 -11.952 3.766 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.639 -13.398 6.376 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -15.891 -12.302 5.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -16.291 -14.546 5.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -16.003 -13.518 3.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.789 -14.581 4.260 1.00 0.00 H new ATOM 1143 N LEU A 76 -8.559 -10.557 3.596 1.00 0.00 N ATOM 1144 CA LEU A 76 -7.576 -9.480 3.549 1.00 0.00 C ATOM 1145 C LEU A 76 -8.248 -8.140 3.266 1.00 0.00 C ATOM 1146 O LEU A 76 -8.932 -7.979 2.254 1.00 0.00 O ATOM 1147 CB LEU A 76 -6.523 -9.771 2.479 1.00 0.00 C ATOM 1148 CG LEU A 76 -6.000 -11.207 2.423 1.00 0.00 C ATOM 1149 CD1 LEU A 76 -5.383 -11.499 1.064 1.00 0.00 C ATOM 1150 CD2 LEU A 76 -4.989 -11.449 3.534 1.00 0.00 C ATOM 0 H LEU A 76 -8.746 -10.996 2.695 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.090 -9.423 4.523 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.945 -9.521 1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.676 -9.104 2.640 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.840 -11.886 2.569 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.017 -12.525 1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.136 -11.367 0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.554 -10.814 0.886 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.627 -12.476 3.479 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.151 -10.762 3.419 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.464 -11.283 4.501 1.00 0.00 H new ATOM 1162 N TYR A 77 -8.048 -7.183 4.164 1.00 0.00 N ATOM 1163 CA TYR A 77 -8.635 -5.858 4.011 1.00 0.00 C ATOM 1164 C TYR A 77 -7.872 -4.824 4.836 1.00 0.00 C ATOM 1165 O TYR A 77 -7.090 -5.175 5.721 1.00 0.00 O ATOM 1166 CB TYR A 77 -10.106 -5.876 4.432 1.00 0.00 C ATOM 1167 CG TYR A 77 -10.311 -6.158 5.902 1.00 0.00 C ATOM 1168 CD1 TYR A 77 -10.170 -7.444 6.410 1.00 0.00 C ATOM 1169 CD2 TYR A 77 -10.649 -5.139 6.785 1.00 0.00 C ATOM 1170 CE1 TYR A 77 -10.358 -7.706 7.753 1.00 0.00 C ATOM 1171 CE2 TYR A 77 -10.837 -5.392 8.129 1.00 0.00 C ATOM 1172 CZ TYR A 77 -10.691 -6.677 8.609 1.00 0.00 C ATOM 1173 OH TYR A 77 -10.878 -6.934 9.948 1.00 0.00 O ATOM 0 H TYR A 77 -7.484 -7.300 5.006 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.568 -5.579 2.959 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.557 -4.914 4.189 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.633 -6.631 3.849 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.909 -8.252 5.743 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -10.767 -4.132 6.413 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.245 -8.711 8.131 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -11.097 -4.588 8.801 1.00 0.00 H new ATOM 0 HH TYR A 77 -11.106 -6.102 10.412 1.00 0.00 H new ATOM 1183 N LEU A 78 -8.106 -3.551 4.540 1.00 0.00 N ATOM 1184 CA LEU A 78 -7.443 -2.465 5.254 1.00 0.00 C ATOM 1185 C LEU A 78 -8.455 -1.611 6.010 1.00 0.00 C ATOM 1186 O LEU A 78 -8.084 -0.753 6.810 1.00 0.00 O ATOM 1187 CB LEU A 78 -6.653 -1.594 4.277 1.00 0.00 C ATOM 1188 CG LEU A 78 -5.396 -2.227 3.677 1.00 0.00 C ATOM 1189 CD1 LEU A 78 -4.940 -1.452 2.451 1.00 0.00 C ATOM 1190 CD2 LEU A 78 -4.285 -2.290 4.714 1.00 0.00 C ATOM 0 H LEU A 78 -8.750 -3.245 3.811 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.756 -2.905 5.977 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.316 -1.306 3.461 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.364 -0.677 4.791 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.637 -3.244 3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.045 -1.917 2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.731 -1.459 1.701 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.717 -0.423 2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.398 -2.743 4.270 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.046 -1.282 5.053 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.613 -2.890 5.563 1.00 0.00 H new ATOM 1202 N ALA A 79 -9.737 -1.855 5.752 1.00 0.00 N ATOM 1203 CA ALA A 79 -10.803 -1.111 6.412 1.00 0.00 C ATOM 1204 C ALA A 79 -11.982 -2.020 6.744 1.00 0.00 C ATOM 1205 O ALA A 79 -12.472 -2.753 5.886 1.00 0.00 O ATOM 1206 CB ALA A 79 -11.258 0.047 5.536 1.00 0.00 C ATOM 0 H ALA A 79 -10.061 -2.561 5.091 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.410 -0.713 7.347 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.054 0.594 6.041 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.418 0.716 5.352 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.629 -0.339 4.586 1.00 0.00 H new ATOM 1212 N GLU A 80 -12.430 -1.967 7.994 1.00 0.00 N ATOM 1213 CA GLU A 80 -13.550 -2.788 8.439 1.00 0.00 C ATOM 1214 C GLU A 80 -14.668 -2.792 7.399 1.00 0.00 C ATOM 1215 O GLU A 80 -15.487 -3.708 7.358 1.00 0.00 O ATOM 1216 CB GLU A 80 -14.085 -2.276 9.778 1.00 0.00 C ATOM 1217 CG GLU A 80 -13.086 -2.387 10.916 1.00 0.00 C ATOM 1218 CD GLU A 80 -13.755 -2.535 12.268 1.00 0.00 C ATOM 1219 OE1 GLU A 80 -14.538 -3.492 12.441 1.00 0.00 O ATOM 1220 OE2 GLU A 80 -13.495 -1.694 13.154 1.00 0.00 O ATOM 0 H GLU A 80 -12.035 -1.365 8.716 1.00 0.00 H new ATOM 0 HA GLU A 80 -13.192 -3.810 8.566 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -14.381 -1.233 9.666 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -14.983 -2.836 10.039 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.436 -3.244 10.741 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -12.451 -1.501 10.924 1.00 0.00 H new ATOM 1227 N ASN A 81 -14.693 -1.759 6.562 1.00 0.00 N ATOM 1228 CA ASN A 81 -15.710 -1.642 5.524 1.00 0.00 C ATOM 1229 C ASN A 81 -15.153 -2.065 4.167 1.00 0.00 C ATOM 1230 O ASN A 81 -15.433 -1.435 3.147 1.00 0.00 O ATOM 1231 CB ASN A 81 -16.230 -0.205 5.450 1.00 0.00 C ATOM 1232 CG ASN A 81 -17.582 -0.114 4.767 1.00 0.00 C ATOM 1233 OD1 ASN A 81 -17.715 0.500 3.708 1.00 0.00 O ATOM 1234 ND2 ASN A 81 -18.593 -0.726 5.373 1.00 0.00 N ATOM 0 H ASN A 81 -14.021 -0.992 6.583 1.00 0.00 H new ATOM 0 HA ASN A 81 -16.535 -2.306 5.781 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -16.307 0.203 6.458 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -15.511 0.411 4.910 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -19.526 -0.699 4.962 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -18.436 -1.223 6.250 1.00 0.00 H new ATOM 1241 N TYR A 82 -14.365 -3.133 4.165 1.00 0.00 N ATOM 1242 CA TYR A 82 -13.767 -3.639 2.935 1.00 0.00 C ATOM 1243 C TYR A 82 -13.307 -5.084 3.107 1.00 0.00 C ATOM 1244 O TYR A 82 -12.856 -5.479 4.182 1.00 0.00 O ATOM 1245 CB TYR A 82 -12.586 -2.761 2.518 1.00 0.00 C ATOM 1246 CG TYR A 82 -12.994 -1.510 1.774 1.00 0.00 C ATOM 1247 CD1 TYR A 82 -13.145 -1.518 0.393 1.00 0.00 C ATOM 1248 CD2 TYR A 82 -13.227 -0.320 2.451 1.00 0.00 C ATOM 1249 CE1 TYR A 82 -13.518 -0.378 -0.292 1.00 0.00 C ATOM 1250 CE2 TYR A 82 -13.601 0.825 1.775 1.00 0.00 C ATOM 1251 CZ TYR A 82 -13.745 0.791 0.403 1.00 0.00 C ATOM 1252 OH TYR A 82 -14.116 1.930 -0.274 1.00 0.00 O ATOM 0 H TYR A 82 -14.125 -3.666 5.001 1.00 0.00 H new ATOM 0 HA TYR A 82 -14.526 -3.609 2.153 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -12.023 -2.477 3.407 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -11.914 -3.345 1.889 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -12.968 -2.432 -0.155 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.114 -0.289 3.525 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -13.631 -0.402 -1.366 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -13.780 1.742 2.317 1.00 0.00 H new ATOM 0 HH TYR A 82 -14.279 1.712 -1.216 1.00 0.00 H new ATOM 1262 N CYS A 83 -13.423 -5.865 2.039 1.00 0.00 N ATOM 1263 CA CYS A 83 -13.019 -7.267 2.070 1.00 0.00 C ATOM 1264 C CYS A 83 -12.633 -7.753 0.677 1.00 0.00 C ATOM 1265 O CYS A 83 -13.207 -7.320 -0.323 1.00 0.00 O ATOM 1266 CB CYS A 83 -14.148 -8.132 2.631 1.00 0.00 C ATOM 1267 SG CYS A 83 -14.054 -9.872 2.146 1.00 0.00 S ATOM 0 H CYS A 83 -13.793 -5.552 1.141 1.00 0.00 H new ATOM 0 HA CYS A 83 -12.148 -7.354 2.719 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -14.134 -8.068 3.719 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -15.103 -7.724 2.299 1.00 0.00 H new ATOM 0 HG CYS A 83 -15.152 -10.478 2.488 1.00 0.00 H new ATOM 1273 N PHE A 84 -11.657 -8.652 0.619 1.00 0.00 N ATOM 1274 CA PHE A 84 -11.192 -9.195 -0.653 1.00 0.00 C ATOM 1275 C PHE A 84 -10.451 -10.512 -0.443 1.00 0.00 C ATOM 1276 O PHE A 84 -10.004 -10.817 0.662 1.00 0.00 O ATOM 1277 CB PHE A 84 -10.280 -8.190 -1.358 1.00 0.00 C ATOM 1278 CG PHE A 84 -10.958 -6.889 -1.683 1.00 0.00 C ATOM 1279 CD1 PHE A 84 -11.868 -6.809 -2.724 1.00 0.00 C ATOM 1280 CD2 PHE A 84 -10.684 -5.747 -0.946 1.00 0.00 C ATOM 1281 CE1 PHE A 84 -12.493 -5.613 -3.025 1.00 0.00 C ATOM 1282 CE2 PHE A 84 -11.306 -4.550 -1.242 1.00 0.00 C ATOM 1283 CZ PHE A 84 -12.212 -4.482 -2.283 1.00 0.00 C ATOM 0 H PHE A 84 -11.172 -9.020 1.437 1.00 0.00 H new ATOM 0 HA PHE A 84 -12.064 -9.385 -1.279 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -9.415 -7.991 -0.726 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -9.906 -8.636 -2.280 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -12.092 -7.690 -3.307 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -9.976 -5.794 -0.131 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -13.200 -5.563 -3.840 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -11.084 -3.668 -0.660 1.00 0.00 H new ATOM 0 HZ PHE A 84 -12.699 -3.547 -2.516 1.00 0.00 H new ATOM 1293 N ASP A 85 -10.326 -11.289 -1.513 1.00 0.00 N ATOM 1294 CA ASP A 85 -9.639 -12.575 -1.449 1.00 0.00 C ATOM 1295 C ASP A 85 -8.361 -12.550 -2.280 1.00 0.00 C ATOM 1296 O ASP A 85 -7.882 -13.590 -2.733 1.00 0.00 O ATOM 1297 CB ASP A 85 -10.559 -13.694 -1.938 1.00 0.00 C ATOM 1298 CG ASP A 85 -9.931 -15.066 -1.790 1.00 0.00 C ATOM 1299 OD1 ASP A 85 -9.599 -15.446 -0.647 1.00 0.00 O ATOM 1300 OD2 ASP A 85 -9.774 -15.760 -2.816 1.00 0.00 O ATOM 0 H ASP A 85 -10.691 -11.051 -2.435 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.371 -12.765 -0.410 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.493 -13.663 -1.378 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.809 -13.523 -2.985 1.00 0.00 H new ATOM 1305 N SER A 86 -7.812 -11.355 -2.478 1.00 0.00 N ATOM 1306 CA SER A 86 -6.591 -11.194 -3.259 1.00 0.00 C ATOM 1307 C SER A 86 -5.968 -9.823 -3.016 1.00 0.00 C ATOM 1308 O SER A 86 -6.669 -8.851 -2.732 1.00 0.00 O ATOM 1309 CB SER A 86 -6.887 -11.376 -4.749 1.00 0.00 C ATOM 1310 OG SER A 86 -6.752 -12.733 -5.134 1.00 0.00 O ATOM 0 H SER A 86 -8.194 -10.484 -2.108 1.00 0.00 H new ATOM 0 HA SER A 86 -5.881 -11.958 -2.941 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.898 -11.032 -4.967 1.00 0.00 H new ATOM 0 HB3 SER A 86 -6.207 -10.759 -5.336 1.00 0.00 H new ATOM 0 HG SER A 86 -7.110 -13.311 -4.428 1.00 0.00 H new ATOM 1316 N ILE A 87 -4.646 -9.753 -3.130 1.00 0.00 N ATOM 1317 CA ILE A 87 -3.927 -8.502 -2.924 1.00 0.00 C ATOM 1318 C ILE A 87 -4.336 -7.456 -3.956 1.00 0.00 C ATOM 1319 O ILE A 87 -4.794 -6.364 -3.622 1.00 0.00 O ATOM 1320 CB ILE A 87 -2.403 -8.709 -2.995 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -1.843 -9.025 -1.607 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -1.728 -7.477 -3.577 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -1.890 -7.852 -0.655 1.00 0.00 C ATOM 0 H ILE A 87 -4.051 -10.548 -3.364 1.00 0.00 H new ATOM 0 HA ILE A 87 -4.190 -8.148 -1.927 1.00 0.00 H new ATOM 0 HB ILE A 87 -2.197 -9.556 -3.650 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.406 -9.854 -1.177 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.810 -9.359 -1.708 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.651 -7.639 -3.621 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.109 -7.294 -4.582 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.940 -6.614 -2.946 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.477 -8.149 0.309 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.304 -7.029 -1.063 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.923 -7.531 -0.524 1.00 0.00 H new ATOM 1335 N PRO A 88 -4.169 -7.798 -5.242 1.00 0.00 N ATOM 1336 CA PRO A 88 -4.517 -6.905 -6.350 1.00 0.00 C ATOM 1337 C PRO A 88 -6.024 -6.717 -6.494 1.00 0.00 C ATOM 1338 O PRO A 88 -6.485 -5.839 -7.222 1.00 0.00 O ATOM 1339 CB PRO A 88 -3.949 -7.622 -7.577 1.00 0.00 C ATOM 1340 CG PRO A 88 -3.910 -9.061 -7.190 1.00 0.00 C ATOM 1341 CD PRO A 88 -3.629 -9.085 -5.713 1.00 0.00 C ATOM 0 HA PRO A 88 -4.118 -5.901 -6.203 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.577 -7.465 -8.454 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -2.955 -7.252 -7.827 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -4.857 -9.551 -7.415 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.136 -9.593 -7.743 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -4.117 -9.928 -5.225 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.562 -9.172 -5.508 1.00 0.00 H new ATOM 1349 N LYS A 89 -6.788 -7.549 -5.793 1.00 0.00 N ATOM 1350 CA LYS A 89 -8.243 -7.475 -5.840 1.00 0.00 C ATOM 1351 C LYS A 89 -8.765 -6.400 -4.892 1.00 0.00 C ATOM 1352 O LYS A 89 -9.889 -5.919 -5.040 1.00 0.00 O ATOM 1353 CB LYS A 89 -8.855 -8.830 -5.477 1.00 0.00 C ATOM 1354 CG LYS A 89 -10.373 -8.847 -5.538 1.00 0.00 C ATOM 1355 CD LYS A 89 -10.906 -10.255 -5.746 1.00 0.00 C ATOM 1356 CE LYS A 89 -10.941 -10.626 -7.222 1.00 0.00 C ATOM 1357 NZ LYS A 89 -9.669 -11.263 -7.663 1.00 0.00 N ATOM 0 H LYS A 89 -6.423 -8.282 -5.185 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.535 -7.211 -6.856 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.464 -9.589 -6.154 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -8.537 -9.105 -4.472 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.780 -8.435 -4.614 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.713 -8.204 -6.350 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.280 -10.966 -5.206 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.909 -10.331 -5.327 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -11.772 -11.308 -7.406 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -11.125 -9.732 -7.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.865 -11.930 -8.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.011 -10.530 -7.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.242 -11.775 -6.865 1.00 0.00 H new ATOM 1371 N LEU A 90 -7.940 -6.025 -3.919 1.00 0.00 N ATOM 1372 CA LEU A 90 -8.317 -5.005 -2.947 1.00 0.00 C ATOM 1373 C LEU A 90 -7.879 -3.621 -3.413 1.00 0.00 C ATOM 1374 O LEU A 90 -8.617 -2.645 -3.271 1.00 0.00 O ATOM 1375 CB LEU A 90 -7.697 -5.317 -1.585 1.00 0.00 C ATOM 1376 CG LEU A 90 -7.678 -4.167 -0.577 1.00 0.00 C ATOM 1377 CD1 LEU A 90 -7.600 -4.704 0.845 1.00 0.00 C ATOM 1378 CD2 LEU A 90 -6.514 -3.230 -0.860 1.00 0.00 C ATOM 0 H LEU A 90 -7.006 -6.412 -3.783 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.403 -5.010 -2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.241 -6.152 -1.143 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.672 -5.652 -1.743 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.605 -3.603 -0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.587 -3.871 1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.467 -5.334 1.044 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.690 -5.292 0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.516 -2.418 -0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.577 -3.781 -0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.614 -2.819 -1.864 1.00 0.00 H new ATOM 1390 N ILE A 91 -6.676 -3.544 -3.972 1.00 0.00 N ATOM 1391 CA ILE A 91 -6.141 -2.279 -4.462 1.00 0.00 C ATOM 1392 C ILE A 91 -7.045 -1.679 -5.533 1.00 0.00 C ATOM 1393 O ILE A 91 -7.275 -0.469 -5.560 1.00 0.00 O ATOM 1394 CB ILE A 91 -4.724 -2.454 -5.041 1.00 0.00 C ATOM 1395 CG1 ILE A 91 -3.750 -2.880 -3.941 1.00 0.00 C ATOM 1396 CG2 ILE A 91 -4.259 -1.164 -5.699 1.00 0.00 C ATOM 1397 CD1 ILE A 91 -3.814 -2.008 -2.706 1.00 0.00 C ATOM 0 H ILE A 91 -6.053 -4.342 -4.097 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.095 -1.603 -3.608 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.750 -3.236 -5.799 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -3.962 -3.911 -3.659 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.735 -2.860 -4.338 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.256 -1.303 -6.103 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.943 -0.900 -6.506 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -4.244 -0.363 -4.960 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.097 -2.368 -1.969 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.573 -0.979 -2.974 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -4.818 -2.047 -2.285 1.00 0.00 H new ATOM 1409 N HIS A 92 -7.557 -2.532 -6.415 1.00 0.00 N ATOM 1410 CA HIS A 92 -8.439 -2.085 -7.487 1.00 0.00 C ATOM 1411 C HIS A 92 -9.498 -1.125 -6.955 1.00 0.00 C ATOM 1412 O HIS A 92 -9.883 -0.172 -7.634 1.00 0.00 O ATOM 1413 CB HIS A 92 -9.111 -3.285 -8.156 1.00 0.00 C ATOM 1414 CG HIS A 92 -9.897 -2.927 -9.379 1.00 0.00 C ATOM 1415 ND1 HIS A 92 -11.236 -2.598 -9.344 1.00 0.00 N ATOM 1416 CD2 HIS A 92 -9.525 -2.843 -10.678 1.00 0.00 C ATOM 1417 CE1 HIS A 92 -11.654 -2.330 -10.568 1.00 0.00 C ATOM 1418 NE2 HIS A 92 -10.635 -2.471 -11.396 1.00 0.00 N ATOM 0 H HIS A 92 -7.376 -3.536 -6.408 1.00 0.00 H new ATOM 0 HA HIS A 92 -7.835 -1.558 -8.225 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -8.347 -4.015 -8.426 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -9.773 -3.767 -7.437 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -8.539 -3.033 -11.076 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -12.658 -2.044 -10.845 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -10.667 -2.327 -12.405 1.00 0.00 H new ATOM 1427 N TYR A 93 -9.965 -1.382 -5.739 1.00 0.00 N ATOM 1428 CA TYR A 93 -10.983 -0.541 -5.117 1.00 0.00 C ATOM 1429 C TYR A 93 -10.361 0.720 -4.526 1.00 0.00 C ATOM 1430 O TYR A 93 -10.588 1.826 -5.015 1.00 0.00 O ATOM 1431 CB TYR A 93 -11.721 -1.320 -4.027 1.00 0.00 C ATOM 1432 CG TYR A 93 -13.109 -0.794 -3.742 1.00 0.00 C ATOM 1433 CD1 TYR A 93 -13.324 0.556 -3.488 1.00 0.00 C ATOM 1434 CD2 TYR A 93 -14.207 -1.645 -3.726 1.00 0.00 C ATOM 1435 CE1 TYR A 93 -14.590 1.041 -3.225 1.00 0.00 C ATOM 1436 CE2 TYR A 93 -15.477 -1.169 -3.466 1.00 0.00 C ATOM 1437 CZ TYR A 93 -15.663 0.174 -3.216 1.00 0.00 C ATOM 1438 OH TYR A 93 -16.927 0.654 -2.957 1.00 0.00 O ATOM 0 H TYR A 93 -9.656 -2.165 -5.164 1.00 0.00 H new ATOM 0 HA TYR A 93 -11.695 -0.245 -5.888 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -11.792 -2.366 -4.325 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.134 -1.289 -3.109 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -12.486 1.237 -3.497 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -14.065 -2.698 -3.920 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -14.739 2.092 -3.028 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -16.319 -1.845 -3.459 1.00 0.00 H new ATOM 0 HH TYR A 93 -17.570 -0.085 -2.989 1.00 0.00 H new ATOM 1448 N HIS A 94 -9.575 0.543 -3.468 1.00 0.00 N ATOM 1449 CA HIS A 94 -8.918 1.665 -2.809 1.00 0.00 C ATOM 1450 C HIS A 94 -8.348 2.641 -3.835 1.00 0.00 C ATOM 1451 O HIS A 94 -8.649 3.834 -3.804 1.00 0.00 O ATOM 1452 CB HIS A 94 -7.802 1.164 -1.891 1.00 0.00 C ATOM 1453 CG HIS A 94 -8.301 0.383 -0.715 1.00 0.00 C ATOM 1454 ND1 HIS A 94 -8.132 0.798 0.590 1.00 0.00 N ATOM 1455 CD2 HIS A 94 -8.968 -0.792 -0.650 1.00 0.00 C ATOM 1456 CE1 HIS A 94 -8.672 -0.089 1.405 1.00 0.00 C ATOM 1457 NE2 HIS A 94 -9.187 -1.064 0.679 1.00 0.00 N ATOM 0 H HIS A 94 -9.378 -0.366 -3.050 1.00 0.00 H new ATOM 0 HA HIS A 94 -9.663 2.188 -2.210 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -7.120 0.540 -2.469 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -7.227 2.018 -1.532 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -9.272 -1.403 -1.487 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -8.690 -0.027 2.483 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -9.669 -1.885 1.045 1.00 0.00 H new ATOM 1466 N GLN A 95 -7.523 2.125 -4.740 1.00 0.00 N ATOM 1467 CA GLN A 95 -6.910 2.951 -5.774 1.00 0.00 C ATOM 1468 C GLN A 95 -7.937 3.892 -6.398 1.00 0.00 C ATOM 1469 O GLN A 95 -7.841 5.112 -6.259 1.00 0.00 O ATOM 1470 CB GLN A 95 -6.284 2.071 -6.857 1.00 0.00 C ATOM 1471 CG GLN A 95 -5.094 2.713 -7.551 1.00 0.00 C ATOM 1472 CD GLN A 95 -4.763 2.051 -8.874 1.00 0.00 C ATOM 1473 OE1 GLN A 95 -4.607 0.832 -8.949 1.00 0.00 O ATOM 1474 NE2 GLN A 95 -4.654 2.854 -9.926 1.00 0.00 N ATOM 0 H GLN A 95 -7.264 1.139 -4.778 1.00 0.00 H new ATOM 0 HA GLN A 95 -6.129 3.551 -5.308 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -5.968 1.129 -6.410 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -7.043 1.832 -7.602 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.303 3.769 -7.720 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.225 2.661 -6.896 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -4.792 3.859 -9.817 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -4.433 2.466 -10.843 1.00 0.00 H new ATOM 1483 N HIS A 96 -8.918 3.317 -7.086 1.00 0.00 N ATOM 1484 CA HIS A 96 -9.963 4.105 -7.731 1.00 0.00 C ATOM 1485 C HIS A 96 -10.309 5.334 -6.897 1.00 0.00 C ATOM 1486 O HIS A 96 -10.284 6.459 -7.392 1.00 0.00 O ATOM 1487 CB HIS A 96 -11.214 3.251 -7.948 1.00 0.00 C ATOM 1488 CG HIS A 96 -11.163 2.421 -9.193 1.00 0.00 C ATOM 1489 ND1 HIS A 96 -12.293 1.968 -9.841 1.00 0.00 N ATOM 1490 CD2 HIS A 96 -10.110 1.962 -9.909 1.00 0.00 C ATOM 1491 CE1 HIS A 96 -11.937 1.266 -10.902 1.00 0.00 C ATOM 1492 NE2 HIS A 96 -10.618 1.248 -10.967 1.00 0.00 N ATOM 0 H HIS A 96 -9.012 2.309 -7.211 1.00 0.00 H new ATOM 0 HA HIS A 96 -9.588 4.439 -8.699 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -11.349 2.594 -7.089 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -12.086 3.903 -7.991 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -9.065 2.126 -9.689 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -12.610 0.788 -11.598 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -10.066 0.780 -11.686 1.00 0.00 H new ATOM 1501 N ASN A 97 -10.634 5.110 -5.628 1.00 0.00 N ATOM 1502 CA ASN A 97 -10.988 6.200 -4.725 1.00 0.00 C ATOM 1503 C ASN A 97 -10.646 5.843 -3.281 1.00 0.00 C ATOM 1504 O ASN A 97 -10.796 4.696 -2.863 1.00 0.00 O ATOM 1505 CB ASN A 97 -12.478 6.524 -4.843 1.00 0.00 C ATOM 1506 CG ASN A 97 -13.355 5.445 -4.238 1.00 0.00 C ATOM 1507 OD1 ASN A 97 -13.809 5.565 -3.100 1.00 0.00 O ATOM 1508 ND2 ASN A 97 -13.596 4.383 -4.998 1.00 0.00 N ATOM 0 H ASN A 97 -10.660 4.184 -5.201 1.00 0.00 H new ATOM 0 HA ASN A 97 -10.409 7.078 -5.010 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -12.681 7.473 -4.347 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.737 6.652 -5.894 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -14.179 3.624 -4.644 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -13.199 4.326 -5.936 1.00 0.00 H new ATOM 1515 N SER A 98 -10.186 6.835 -2.526 1.00 0.00 N ATOM 1516 CA SER A 98 -9.820 6.625 -1.129 1.00 0.00 C ATOM 1517 C SER A 98 -10.864 5.771 -0.417 1.00 0.00 C ATOM 1518 O SER A 98 -12.064 6.021 -0.523 1.00 0.00 O ATOM 1519 CB SER A 98 -9.669 7.969 -0.413 1.00 0.00 C ATOM 1520 OG SER A 98 -9.039 7.807 0.847 1.00 0.00 O ATOM 0 H SER A 98 -10.058 7.791 -2.857 1.00 0.00 H new ATOM 0 HA SER A 98 -8.866 6.098 -1.103 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.084 8.650 -1.031 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.650 8.425 -0.277 1.00 0.00 H new ATOM 0 HG SER A 98 -8.459 7.017 0.824 1.00 0.00 H new ATOM 1526 N ALA A 99 -10.396 4.761 0.309 1.00 0.00 N ATOM 1527 CA ALA A 99 -11.287 3.870 1.042 1.00 0.00 C ATOM 1528 C ALA A 99 -11.328 4.230 2.523 1.00 0.00 C ATOM 1529 O ALA A 99 -10.555 3.704 3.321 1.00 0.00 O ATOM 1530 CB ALA A 99 -10.852 2.423 0.860 1.00 0.00 C ATOM 0 H ALA A 99 -9.405 4.539 0.405 1.00 0.00 H new ATOM 0 HA ALA A 99 -12.293 3.990 0.639 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -11.526 1.768 1.413 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.882 2.164 -0.198 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -9.836 2.298 1.235 1.00 0.00 H new ATOM 1536 N GLY A 100 -12.236 5.132 2.882 1.00 0.00 N ATOM 1537 CA GLY A 100 -12.361 5.549 4.267 1.00 0.00 C ATOM 1538 C GLY A 100 -11.222 6.448 4.707 1.00 0.00 C ATOM 1539 O GLY A 100 -11.165 7.616 4.326 1.00 0.00 O ATOM 0 H GLY A 100 -12.887 5.582 2.239 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -13.307 6.074 4.401 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -12.392 4.667 4.907 1.00 0.00 H new ATOM 1543 N MET A 101 -10.317 5.903 5.512 1.00 0.00 N ATOM 1544 CA MET A 101 -9.175 6.665 6.004 1.00 0.00 C ATOM 1545 C MET A 101 -7.967 6.486 5.091 1.00 0.00 C ATOM 1546 O MET A 101 -7.249 7.442 4.802 1.00 0.00 O ATOM 1547 CB MET A 101 -8.821 6.232 7.428 1.00 0.00 C ATOM 1548 CG MET A 101 -7.862 7.178 8.131 1.00 0.00 C ATOM 1549 SD MET A 101 -8.715 8.484 9.036 1.00 0.00 S ATOM 1550 CE MET A 101 -9.232 7.596 10.504 1.00 0.00 C ATOM 0 H MET A 101 -10.352 4.937 5.838 1.00 0.00 H new ATOM 0 HA MET A 101 -9.450 7.720 6.010 1.00 0.00 H new ATOM 0 HB2 MET A 101 -9.737 6.155 8.014 1.00 0.00 H new ATOM 0 HB3 MET A 101 -8.378 5.236 7.397 1.00 0.00 H new ATOM 0 HG2 MET A 101 -7.238 6.610 8.821 1.00 0.00 H new ATOM 0 HG3 MET A 101 -7.195 7.627 7.395 1.00 0.00 H new ATOM 0 HE1 MET A 101 -10.209 7.959 10.823 1.00 0.00 H new ATOM 0 HE2 MET A 101 -9.295 6.531 10.282 1.00 0.00 H new ATOM 0 HE3 MET A 101 -8.507 7.758 11.301 1.00 0.00 H new ATOM 1560 N ILE A 102 -7.749 5.254 4.641 1.00 0.00 N ATOM 1561 CA ILE A 102 -6.628 4.951 3.759 1.00 0.00 C ATOM 1562 C ILE A 102 -6.399 6.074 2.754 1.00 0.00 C ATOM 1563 O ILE A 102 -7.267 6.377 1.935 1.00 0.00 O ATOM 1564 CB ILE A 102 -6.853 3.633 2.996 1.00 0.00 C ATOM 1565 CG1 ILE A 102 -7.163 2.498 3.974 1.00 0.00 C ATOM 1566 CG2 ILE A 102 -5.633 3.293 2.152 1.00 0.00 C ATOM 1567 CD1 ILE A 102 -6.116 2.325 5.052 1.00 0.00 C ATOM 0 H ILE A 102 -8.333 4.451 4.872 1.00 0.00 H new ATOM 0 HA ILE A 102 -5.747 4.849 4.393 1.00 0.00 H new ATOM 0 HB ILE A 102 -7.707 3.758 2.331 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -8.128 2.688 4.444 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -7.257 1.566 3.417 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -5.808 2.358 1.619 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -5.454 4.093 1.433 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -4.762 3.184 2.798 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -6.402 1.503 5.708 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -5.153 2.104 4.592 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -6.038 3.243 5.634 1.00 0.00 H new ATOM 1579 N THR A 103 -5.223 6.690 2.822 1.00 0.00 N ATOM 1580 CA THR A 103 -4.878 7.780 1.918 1.00 0.00 C ATOM 1581 C THR A 103 -5.176 7.409 0.469 1.00 0.00 C ATOM 1582 O THR A 103 -4.935 6.278 0.046 1.00 0.00 O ATOM 1583 CB THR A 103 -3.391 8.165 2.042 1.00 0.00 C ATOM 1584 OG1 THR A 103 -3.124 8.669 3.355 1.00 0.00 O ATOM 1585 CG2 THR A 103 -3.014 9.211 1.004 1.00 0.00 C ATOM 0 H THR A 103 -4.493 6.452 3.494 1.00 0.00 H new ATOM 0 HA THR A 103 -5.492 8.634 2.205 1.00 0.00 H new ATOM 0 HB THR A 103 -2.791 7.272 1.868 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.177 8.910 3.427 1.00 0.00 H new ATOM 0 HG21 THR A 103 -1.960 9.467 1.111 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.191 8.812 0.005 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.621 10.104 1.151 1.00 0.00 H new ATOM 1593 N ARG A 104 -5.701 8.368 -0.286 1.00 0.00 N ATOM 1594 CA ARG A 104 -6.032 8.141 -1.688 1.00 0.00 C ATOM 1595 C ARG A 104 -4.783 7.793 -2.492 1.00 0.00 C ATOM 1596 O ARG A 104 -3.928 8.647 -2.733 1.00 0.00 O ATOM 1597 CB ARG A 104 -6.706 9.379 -2.282 1.00 0.00 C ATOM 1598 CG ARG A 104 -7.388 9.121 -3.616 1.00 0.00 C ATOM 1599 CD ARG A 104 -8.454 10.165 -3.907 1.00 0.00 C ATOM 1600 NE ARG A 104 -8.663 10.347 -5.341 1.00 0.00 N ATOM 1601 CZ ARG A 104 -9.645 11.081 -5.853 1.00 0.00 C ATOM 1602 NH1 ARG A 104 -10.503 11.698 -5.051 1.00 0.00 N ATOM 1603 NH2 ARG A 104 -9.770 11.200 -7.168 1.00 0.00 N ATOM 0 H ARG A 104 -5.906 9.309 0.049 1.00 0.00 H new ATOM 0 HA ARG A 104 -6.723 7.300 -1.741 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -7.444 9.756 -1.573 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -5.959 10.162 -2.411 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -6.645 9.126 -4.413 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -7.841 8.129 -3.609 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -9.392 9.866 -3.439 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -8.163 11.115 -3.459 1.00 0.00 H new ATOM 0 HE ARG A 104 -8.020 9.885 -5.984 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -10.409 11.609 -4.039 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -11.256 12.261 -5.446 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -9.112 10.728 -7.788 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -10.524 11.764 -7.560 1.00 0.00 H new ATOM 1617 N LEU A 105 -4.683 6.535 -2.904 1.00 0.00 N ATOM 1618 CA LEU A 105 -3.538 6.073 -3.681 1.00 0.00 C ATOM 1619 C LEU A 105 -3.357 6.917 -4.939 1.00 0.00 C ATOM 1620 O LEU A 105 -3.989 6.664 -5.964 1.00 0.00 O ATOM 1621 CB LEU A 105 -3.714 4.601 -4.062 1.00 0.00 C ATOM 1622 CG LEU A 105 -4.139 3.663 -2.932 1.00 0.00 C ATOM 1623 CD1 LEU A 105 -4.027 2.211 -3.374 1.00 0.00 C ATOM 1624 CD2 LEU A 105 -3.298 3.910 -1.688 1.00 0.00 C ATOM 0 H LEU A 105 -5.381 5.816 -2.713 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.646 6.178 -3.063 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.456 4.538 -4.858 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.773 4.238 -4.474 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.181 3.868 -2.688 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.333 1.557 -2.557 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.673 2.042 -4.236 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.994 1.992 -3.646 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.615 3.233 -0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.247 3.733 -1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.429 4.941 -1.359 1.00 0.00 H new ATOM 1636 N ARG A 106 -2.488 7.918 -4.853 1.00 0.00 N ATOM 1637 CA ARG A 106 -2.223 8.799 -5.984 1.00 0.00 C ATOM 1638 C ARG A 106 -1.558 8.035 -7.125 1.00 0.00 C ATOM 1639 O ARG A 106 -2.134 7.882 -8.203 1.00 0.00 O ATOM 1640 CB ARG A 106 -1.333 9.966 -5.552 1.00 0.00 C ATOM 1641 CG ARG A 106 -1.991 10.893 -4.542 1.00 0.00 C ATOM 1642 CD ARG A 106 -3.325 11.414 -5.052 1.00 0.00 C ATOM 1643 NE ARG A 106 -3.630 12.742 -4.527 1.00 0.00 N ATOM 1644 CZ ARG A 106 -2.922 13.828 -4.818 1.00 0.00 C ATOM 1645 NH1 ARG A 106 -1.874 13.742 -5.625 1.00 0.00 N ATOM 1646 NH2 ARG A 106 -3.262 15.002 -4.301 1.00 0.00 N ATOM 0 H ARG A 106 -1.955 8.139 -4.012 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.177 9.190 -6.338 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -0.412 9.570 -5.123 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -1.052 10.543 -6.433 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -2.142 10.361 -3.603 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.328 11.732 -4.331 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -3.308 11.450 -6.141 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -4.117 10.721 -4.768 1.00 0.00 H new ATOM 0 HE ARG A 106 -4.430 12.841 -3.903 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -1.610 12.841 -6.024 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -1.332 14.577 -5.847 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -4.068 15.071 -3.679 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -2.718 15.835 -4.525 1.00 0.00 H new ATOM 1660 N HIS A 107 -0.343 7.555 -6.881 1.00 0.00 N ATOM 1661 CA HIS A 107 0.400 6.806 -7.888 1.00 0.00 C ATOM 1662 C HIS A 107 1.176 5.659 -7.248 1.00 0.00 C ATOM 1663 O HIS A 107 1.648 5.752 -6.114 1.00 0.00 O ATOM 1664 CB HIS A 107 1.360 7.731 -8.637 1.00 0.00 C ATOM 1665 CG HIS A 107 0.698 8.535 -9.714 1.00 0.00 C ATOM 1666 ND1 HIS A 107 0.792 8.219 -11.053 1.00 0.00 N ATOM 1667 CD2 HIS A 107 -0.072 9.645 -9.643 1.00 0.00 C ATOM 1668 CE1 HIS A 107 0.109 9.103 -11.760 1.00 0.00 C ATOM 1669 NE2 HIS A 107 -0.424 9.979 -10.928 1.00 0.00 N ATOM 0 H HIS A 107 0.148 7.671 -5.995 1.00 0.00 H new ATOM 0 HA HIS A 107 -0.316 6.388 -8.596 1.00 0.00 H new ATOM 0 HB2 HIS A 107 1.828 8.410 -7.924 1.00 0.00 H new ATOM 0 HB3 HIS A 107 2.157 7.133 -9.079 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -0.357 10.171 -8.744 1.00 0.00 H new ATOM 0 HE1 HIS A 107 0.005 9.108 -12.835 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -1.003 10.775 -11.196 1.00 0.00 H new ATOM 1678 N PRO A 108 1.314 4.550 -7.990 1.00 0.00 N ATOM 1679 CA PRO A 108 2.032 3.363 -7.516 1.00 0.00 C ATOM 1680 C PRO A 108 3.535 3.598 -7.412 1.00 0.00 C ATOM 1681 O PRO A 108 4.075 4.513 -8.035 1.00 0.00 O ATOM 1682 CB PRO A 108 1.727 2.312 -8.585 1.00 0.00 C ATOM 1683 CG PRO A 108 1.435 3.099 -9.817 1.00 0.00 C ATOM 1684 CD PRO A 108 0.779 4.369 -9.350 1.00 0.00 C ATOM 0 HA PRO A 108 1.720 3.072 -6.513 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.574 1.642 -8.735 1.00 0.00 H new ATOM 0 HB3 PRO A 108 0.877 1.692 -8.300 1.00 0.00 H new ATOM 0 HG2 PRO A 108 2.350 3.313 -10.370 1.00 0.00 H new ATOM 0 HG3 PRO A 108 0.779 2.545 -10.488 1.00 0.00 H new ATOM 0 HD2 PRO A 108 1.029 5.211 -9.995 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -0.308 4.282 -9.346 1.00 0.00 H new ATOM 1692 N VAL A 109 4.207 2.766 -6.622 1.00 0.00 N ATOM 1693 CA VAL A 109 5.648 2.883 -6.438 1.00 0.00 C ATOM 1694 C VAL A 109 6.281 1.521 -6.178 1.00 0.00 C ATOM 1695 O VAL A 109 5.806 0.754 -5.339 1.00 0.00 O ATOM 1696 CB VAL A 109 5.991 3.828 -5.272 1.00 0.00 C ATOM 1697 CG1 VAL A 109 7.486 3.809 -4.990 1.00 0.00 C ATOM 1698 CG2 VAL A 109 5.516 5.241 -5.573 1.00 0.00 C ATOM 0 H VAL A 109 3.776 2.004 -6.099 1.00 0.00 H new ATOM 0 HA VAL A 109 6.052 3.298 -7.362 1.00 0.00 H new ATOM 0 HB VAL A 109 5.472 3.477 -4.380 1.00 0.00 H new ATOM 0 HG11 VAL A 109 7.709 4.483 -4.163 1.00 0.00 H new ATOM 0 HG12 VAL A 109 7.794 2.797 -4.727 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.028 4.133 -5.878 1.00 0.00 H new ATOM 0 HG21 VAL A 109 5.767 5.895 -4.738 1.00 0.00 H new ATOM 0 HG22 VAL A 109 6.004 5.604 -6.477 1.00 0.00 H new ATOM 0 HG23 VAL A 109 4.436 5.238 -5.720 1.00 0.00 H new ATOM 1708 N SER A 110 7.356 1.226 -6.901 1.00 0.00 N ATOM 1709 CA SER A 110 8.053 -0.047 -6.751 1.00 0.00 C ATOM 1710 C SER A 110 9.203 0.078 -5.757 1.00 0.00 C ATOM 1711 O SER A 110 9.965 1.043 -5.792 1.00 0.00 O ATOM 1712 CB SER A 110 8.583 -0.525 -8.103 1.00 0.00 C ATOM 1713 OG SER A 110 9.566 0.361 -8.609 1.00 0.00 O ATOM 0 H SER A 110 7.764 1.851 -7.597 1.00 0.00 H new ATOM 0 HA SER A 110 7.342 -0.779 -6.368 1.00 0.00 H new ATOM 0 HB2 SER A 110 9.008 -1.523 -7.998 1.00 0.00 H new ATOM 0 HB3 SER A 110 7.759 -0.603 -8.813 1.00 0.00 H new ATOM 0 HG SER A 110 9.890 0.031 -9.473 1.00 0.00 H new