USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 759 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: C 49 LYS NZ :NH3+ -179:sc= 1.12 (180deg=0) USER MOD Set 1.2: C 52 ASN : amide:sc= -2.56! C(o=-1.4!,f=-6.6!) USER MOD Set 2.1: B 23 ASN : amide:sc= -2.09! K(o=-5.9!,f=-2.2) USER MOD Set 2.2: B 26 GLN : amide:sc= -3.81! C(o=-5.9!,f=-2.7!) USER MOD Set 3.1: A 14 ASN : amide:sc= -0.977 K(o=-0.98,f=-2.9!) USER MOD Set 3.2: A 28 SER OG : rot -160:sc= 0 USER MOD Set 4.1: A 18 HIS : no HE2:sc= -0.806 K(o=-0.58,f=-2.4) USER MOD Set 4.2: A 20 SER OG : rot 180:sc= 0.229 USER MOD Set 4.3: A 21 ASN : amide:sc=-0.00352 X(o=-0.58,f=-0.58) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.146 K(o=-0.15,f=-1) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 21 ASN : amide:sc= -2.52 X(o=-2.5,f=-2.8!) USER MOD Single : B 32 HIS : no HD1:sc= 0 X(o=0,f=-0.06) USER MOD Single : B 33 SER OG : rot 85:sc= 1.26 USER MOD Single : B 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : B 41 SER OG : rot -91:sc= 1.25 USER MOD Single : B 43 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : B 49 LYS NZ :NH3+ 161:sc= 1.3 (180deg=1.12) USER MOD Single : B 50 LYS NZ :NH3+ -169:sc=-0.00596 (180deg=-0.122) USER MOD Single : B 52 ASN : amide:sc= -0.924 K(o=-0.92,f=-2.3) USER MOD Single : B 55 GLN : amide:sc= -1.02 K(o=-1,f=-0.014) USER MOD Single : C 18 TYR OH : rot -28:sc= -0.709 USER MOD Single : C 21 ASN : amide:sc= -0.0916 K(o=-0.092,f=-2.7!) USER MOD Single : C 23 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : C 26 GLN : amide:sc= -0.107 K(o=-0.11,f=-0.84) USER MOD Single : C 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : C 33 SER OG : rot 180:sc= 0 USER MOD Single : C 35 HIS : no HE2:sc= 0.912 K(o=0.91,f=-5.1!) USER MOD Single : C 39 SER OG : rot 180:sc= 0 USER MOD Single : C 40 GLN : amide:sc= -0.0275 K(o=-0.028,f=-1.1) USER MOD Single : C 41 SER OG : rot 180:sc= 0 USER MOD Single : C 43 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : C 50 LYS NZ :NH3+ 171:sc= -0.0105 (180deg=-0.126) USER MOD Single : C 55 GLN : amide:sc= -1.6! C(o=-1.6!,f=-6.5!) USER MOD ----------------------------------------------------------------- ATOM 42 N LEU A 12 -12.025 6.238 6.717 1.00 0.00 N ATOM 43 CA LEU A 12 -10.896 6.434 5.822 1.00 0.00 C ATOM 44 C LEU A 12 -9.833 5.385 6.066 1.00 0.00 C ATOM 45 O LEU A 12 -9.888 4.672 7.061 1.00 0.00 O ATOM 46 CB LEU A 12 -10.302 7.796 6.052 1.00 0.00 C ATOM 47 CG LEU A 12 -11.266 8.945 5.850 1.00 0.00 C ATOM 48 CD1 LEU A 12 -10.506 10.223 5.981 1.00 0.00 C ATOM 49 CD2 LEU A 12 -11.943 8.859 4.493 1.00 0.00 C ATOM 0 HA LEU A 12 -11.251 6.348 4.795 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.911 7.841 7.069 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.455 7.927 5.379 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.052 8.900 6.604 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.183 11.065 5.839 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.059 10.280 6.974 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.720 10.258 5.227 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.630 9.697 4.375 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.189 8.895 3.707 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.497 7.923 4.421 1.00 0.00 H new ATOM 61 N ALA A 13 -8.858 5.301 5.179 1.00 0.00 N ATOM 62 CA ALA A 13 -7.807 4.316 5.333 1.00 0.00 C ATOM 63 C ALA A 13 -6.431 4.934 5.178 1.00 0.00 C ATOM 64 O ALA A 13 -6.222 5.842 4.373 1.00 0.00 O ATOM 65 CB ALA A 13 -7.980 3.169 4.353 1.00 0.00 C ATOM 0 H ALA A 13 -8.773 5.896 4.355 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.888 3.922 6.346 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.176 2.446 4.493 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.940 2.683 4.528 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.948 3.554 3.334 1.00 0.00 H new ATOM 71 N ASN A 14 -5.509 4.437 5.976 1.00 0.00 N ATOM 72 CA ASN A 14 -4.115 4.819 5.897 1.00 0.00 C ATOM 73 C ASN A 14 -3.310 3.604 5.481 1.00 0.00 C ATOM 74 O ASN A 14 -3.716 2.473 5.747 1.00 0.00 O ATOM 75 CB ASN A 14 -3.615 5.346 7.247 1.00 0.00 C ATOM 76 CG ASN A 14 -4.282 6.646 7.654 1.00 0.00 C ATOM 77 OD1 ASN A 14 -3.809 7.731 7.319 1.00 0.00 O ATOM 78 ND2 ASN A 14 -5.382 6.550 8.384 1.00 0.00 N ATOM 0 H ASN A 14 -5.708 3.751 6.704 1.00 0.00 H new ATOM 0 HA ASN A 14 -3.998 5.618 5.165 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -3.796 4.594 8.015 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.537 5.497 7.196 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.867 7.394 8.688 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.744 5.632 8.642 1.00 0.00 H new ATOM 85 N PHE A 15 -2.185 3.818 4.828 1.00 0.00 N ATOM 86 CA PHE A 15 -1.374 2.704 4.380 1.00 0.00 C ATOM 87 C PHE A 15 -0.145 2.586 5.259 1.00 0.00 C ATOM 88 O PHE A 15 0.794 3.370 5.144 1.00 0.00 O ATOM 89 CB PHE A 15 -0.952 2.883 2.921 1.00 0.00 C ATOM 90 CG PHE A 15 -0.532 1.596 2.269 1.00 0.00 C ATOM 91 CD1 PHE A 15 -1.460 0.814 1.596 1.00 0.00 C ATOM 92 CD2 PHE A 15 0.782 1.161 2.337 1.00 0.00 C ATOM 93 CE1 PHE A 15 -1.083 -0.376 1.007 1.00 0.00 C ATOM 94 CE2 PHE A 15 1.164 -0.028 1.748 1.00 0.00 C ATOM 95 CZ PHE A 15 0.228 -0.797 1.082 1.00 0.00 C ATOM 0 H PHE A 15 -1.815 4.740 4.598 1.00 0.00 H new ATOM 0 HA PHE A 15 -1.968 1.793 4.453 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.780 3.315 2.359 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.128 3.595 2.872 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.488 1.140 1.532 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.516 1.759 2.857 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.815 -0.977 0.488 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.191 -0.356 1.807 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.524 -1.728 0.620 1.00 0.00 H new ATOM 105 N LEU A 16 -0.170 1.623 6.157 1.00 0.00 N ATOM 106 CA LEU A 16 0.944 1.405 7.051 1.00 0.00 C ATOM 107 C LEU A 16 1.703 0.169 6.624 1.00 0.00 C ATOM 108 O LEU A 16 1.220 -0.621 5.815 1.00 0.00 O ATOM 109 CB LEU A 16 0.478 1.267 8.507 1.00 0.00 C ATOM 110 CG LEU A 16 -0.033 -0.115 8.936 1.00 0.00 C ATOM 111 CD1 LEU A 16 -0.569 -0.051 10.352 1.00 0.00 C ATOM 112 CD2 LEU A 16 -1.103 -0.640 8.008 1.00 0.00 C ATOM 0 H LEU A 16 -0.951 0.979 6.286 1.00 0.00 H new ATOM 0 HA LEU A 16 1.601 2.273 6.997 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.308 1.541 9.158 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.316 1.993 8.681 1.00 0.00 H new ATOM 0 HG LEU A 16 0.811 -0.804 8.889 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.930 -1.036 10.649 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.226 0.263 11.028 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.389 0.665 10.399 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.434 -1.620 8.352 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.949 0.047 8.003 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.699 -0.726 6.999 1.00 0.00 H new ATOM 124 N VAL A 17 2.886 0.000 7.157 1.00 0.00 N ATOM 125 CA VAL A 17 3.670 -1.157 6.848 1.00 0.00 C ATOM 126 C VAL A 17 4.543 -1.560 8.022 1.00 0.00 C ATOM 127 O VAL A 17 5.247 -0.735 8.609 1.00 0.00 O ATOM 128 CB VAL A 17 4.523 -0.922 5.582 1.00 0.00 C ATOM 129 CG1 VAL A 17 5.185 0.437 5.593 1.00 0.00 C ATOM 130 CG2 VAL A 17 5.564 -2.006 5.433 1.00 0.00 C ATOM 0 H VAL A 17 3.324 0.653 7.807 1.00 0.00 H new ATOM 0 HA VAL A 17 2.984 -1.980 6.647 1.00 0.00 H new ATOM 0 HB VAL A 17 3.848 -0.956 4.727 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.775 0.562 4.685 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.421 1.213 5.639 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.837 0.517 6.463 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.154 -1.822 4.535 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.219 -2.004 6.305 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.071 -2.975 5.351 1.00 0.00 H new ATOM 140 N HIS A 18 4.455 -2.830 8.383 1.00 0.00 N ATOM 141 CA HIS A 18 5.349 -3.404 9.367 1.00 0.00 C ATOM 142 C HIS A 18 6.673 -3.664 8.663 1.00 0.00 C ATOM 143 O HIS A 18 6.774 -4.588 7.856 1.00 0.00 O ATOM 144 CB HIS A 18 4.765 -4.694 9.955 1.00 0.00 C ATOM 145 CG HIS A 18 5.552 -5.242 11.115 1.00 0.00 C ATOM 146 ND1 HIS A 18 6.558 -6.174 10.981 1.00 0.00 N ATOM 147 CD2 HIS A 18 5.471 -4.978 12.441 1.00 0.00 C ATOM 148 CE1 HIS A 18 7.059 -6.454 12.171 1.00 0.00 C ATOM 149 NE2 HIS A 18 6.418 -5.742 13.072 1.00 0.00 N ATOM 0 H HIS A 18 3.769 -3.483 8.005 1.00 0.00 H new ATOM 0 HA HIS A 18 5.491 -2.723 10.206 1.00 0.00 H new ATOM 0 HB2 HIS A 18 3.742 -4.504 10.279 1.00 0.00 H new ATOM 0 HB3 HIS A 18 4.716 -5.450 9.171 1.00 0.00 H new ATOM 0 HD1 HIS A 18 6.868 -6.584 10.100 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.785 -4.291 12.915 1.00 0.00 H new ATOM 0 HE1 HIS A 18 7.860 -7.150 12.370 1.00 0.00 H new ATOM 158 N SER A 19 7.659 -2.835 8.981 1.00 0.00 N ATOM 159 CA SER A 19 8.887 -2.665 8.193 1.00 0.00 C ATOM 160 C SER A 19 9.513 -3.964 7.660 1.00 0.00 C ATOM 161 O SER A 19 10.134 -3.947 6.596 1.00 0.00 O ATOM 162 CB SER A 19 9.918 -1.902 9.033 1.00 0.00 C ATOM 163 OG SER A 19 11.083 -1.594 8.284 1.00 0.00 O ATOM 0 H SER A 19 7.633 -2.245 9.813 1.00 0.00 H new ATOM 0 HA SER A 19 8.593 -2.107 7.304 1.00 0.00 H new ATOM 0 HB2 SER A 19 9.472 -0.980 9.407 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.192 -2.499 9.903 1.00 0.00 H new ATOM 0 HG SER A 19 11.717 -1.107 8.851 1.00 0.00 H new ATOM 169 N SER A 20 9.359 -5.075 8.364 1.00 0.00 N ATOM 170 CA SER A 20 10.098 -6.276 8.012 1.00 0.00 C ATOM 171 C SER A 20 9.563 -6.967 6.750 1.00 0.00 C ATOM 172 O SER A 20 10.321 -7.183 5.801 1.00 0.00 O ATOM 173 CB SER A 20 10.079 -7.246 9.194 1.00 0.00 C ATOM 174 OG SER A 20 8.759 -7.423 9.682 1.00 0.00 O ATOM 0 H SER A 20 8.740 -5.170 9.169 1.00 0.00 H new ATOM 0 HA SER A 20 11.120 -5.973 7.785 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.490 -8.208 8.887 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.718 -6.867 9.991 1.00 0.00 H new ATOM 0 HG SER A 20 8.770 -8.048 10.437 1.00 0.00 H new ATOM 180 N ASN A 21 8.273 -7.308 6.714 1.00 0.00 N ATOM 181 CA ASN A 21 7.752 -8.086 5.585 1.00 0.00 C ATOM 182 C ASN A 21 6.426 -7.570 5.027 1.00 0.00 C ATOM 183 O ASN A 21 6.176 -7.674 3.825 1.00 0.00 O ATOM 184 CB ASN A 21 7.570 -9.555 5.989 1.00 0.00 C ATOM 185 CG ASN A 21 8.877 -10.256 6.314 1.00 0.00 C ATOM 186 OD1 ASN A 21 9.330 -10.258 7.462 1.00 0.00 O ATOM 187 ND2 ASN A 21 9.484 -10.869 5.310 1.00 0.00 N ATOM 0 H ASN A 21 7.587 -7.067 7.429 1.00 0.00 H new ATOM 0 HA ASN A 21 8.497 -7.980 4.796 1.00 0.00 H new ATOM 0 HB2 ASN A 21 6.913 -9.607 6.857 1.00 0.00 H new ATOM 0 HB3 ASN A 21 7.072 -10.088 5.179 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.360 -11.367 5.471 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.076 -10.843 4.375 1.00 0.00 H new ATOM 194 N ASN A 22 5.576 -7.012 5.881 1.00 0.00 N ATOM 195 CA ASN A 22 4.169 -6.835 5.518 1.00 0.00 C ATOM 196 C ASN A 22 3.745 -5.378 5.429 1.00 0.00 C ATOM 197 O ASN A 22 3.769 -4.649 6.421 1.00 0.00 O ATOM 198 CB ASN A 22 3.259 -7.543 6.528 1.00 0.00 C ATOM 199 CG ASN A 22 3.484 -9.042 6.594 1.00 0.00 C ATOM 200 OD1 ASN A 22 3.880 -9.673 5.613 1.00 0.00 O ATOM 201 ND2 ASN A 22 3.228 -9.625 7.756 1.00 0.00 N ATOM 0 H ASN A 22 5.826 -6.679 6.812 1.00 0.00 H new ATOM 0 HA ASN A 22 4.065 -7.274 4.526 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.423 -7.114 7.517 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.219 -7.350 6.266 1.00 0.00 H new ATOM 0 HD21 ASN A 22 3.358 -10.631 7.861 1.00 0.00 H new ATOM 0 HD22 ASN A 22 2.901 -9.068 8.545 1.00 0.00 H new ATOM 208 N PHE A 23 3.339 -4.968 4.235 1.00 0.00 N ATOM 209 CA PHE A 23 2.651 -3.713 4.045 1.00 0.00 C ATOM 210 C PHE A 23 1.155 -3.939 4.204 1.00 0.00 C ATOM 211 O PHE A 23 0.634 -4.974 3.784 1.00 0.00 O ATOM 212 CB PHE A 23 2.969 -3.128 2.663 1.00 0.00 C ATOM 213 CG PHE A 23 3.025 -4.142 1.541 1.00 0.00 C ATOM 214 CD1 PHE A 23 1.934 -4.346 0.699 1.00 0.00 C ATOM 215 CD2 PHE A 23 4.174 -4.892 1.326 1.00 0.00 C ATOM 216 CE1 PHE A 23 1.996 -5.272 -0.325 1.00 0.00 C ATOM 217 CE2 PHE A 23 4.235 -5.819 0.302 1.00 0.00 C ATOM 218 CZ PHE A 23 3.146 -6.010 -0.523 1.00 0.00 C ATOM 0 H PHE A 23 3.480 -5.500 3.376 1.00 0.00 H new ATOM 0 HA PHE A 23 2.988 -2.996 4.794 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.216 -2.379 2.419 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.927 -2.611 2.715 1.00 0.00 H new ATOM 0 HD1 PHE A 23 1.030 -3.774 0.848 1.00 0.00 H new ATOM 0 HD2 PHE A 23 5.031 -4.749 1.967 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.143 -5.419 -0.972 1.00 0.00 H new ATOM 0 HE2 PHE A 23 5.136 -6.394 0.148 1.00 0.00 H new ATOM 0 HZ PHE A 23 3.193 -6.735 -1.322 1.00 0.00 H new ATOM 228 N GLY A 24 0.465 -3.003 4.832 1.00 0.00 N ATOM 229 CA GLY A 24 -0.941 -3.206 5.090 1.00 0.00 C ATOM 230 C GLY A 24 -1.767 -1.948 4.979 1.00 0.00 C ATOM 231 O GLY A 24 -1.343 -0.954 4.395 1.00 0.00 O ATOM 0 H GLY A 24 0.847 -2.117 5.164 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.327 -3.946 4.389 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.061 -3.622 6.090 1.00 0.00 H new ATOM 235 N ALA A 25 -2.948 -2.000 5.567 1.00 0.00 N ATOM 236 CA ALA A 25 -3.883 -0.904 5.532 1.00 0.00 C ATOM 237 C ALA A 25 -4.520 -0.748 6.888 1.00 0.00 C ATOM 238 O ALA A 25 -4.352 -1.599 7.753 1.00 0.00 O ATOM 239 CB ALA A 25 -4.933 -1.136 4.453 1.00 0.00 C ATOM 0 H ALA A 25 -3.283 -2.813 6.085 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.355 0.017 5.286 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.632 -0.299 4.439 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.445 -1.217 3.482 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.475 -2.058 4.665 1.00 0.00 H new ATOM 245 N ILE A 26 -5.201 0.354 7.095 1.00 0.00 N ATOM 246 CA ILE A 26 -5.865 0.595 8.349 1.00 0.00 C ATOM 247 C ILE A 26 -6.952 1.651 8.198 1.00 0.00 C ATOM 248 O ILE A 26 -6.731 2.708 7.613 1.00 0.00 O ATOM 249 CB ILE A 26 -4.867 1.014 9.434 1.00 0.00 C ATOM 250 CG1 ILE A 26 -5.620 1.275 10.723 1.00 0.00 C ATOM 251 CG2 ILE A 26 -4.060 2.229 9.014 1.00 0.00 C ATOM 252 CD1 ILE A 26 -4.724 1.593 11.876 1.00 0.00 C ATOM 0 H ILE A 26 -5.309 1.099 6.407 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.332 -0.341 8.656 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.154 0.205 9.589 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -6.312 2.103 10.570 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.220 0.399 10.969 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.364 2.496 9.809 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.503 2.000 8.106 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.733 3.065 8.825 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.326 1.769 12.767 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -4.049 0.756 12.054 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.142 2.486 11.649 1.00 0.00 H new ATOM 264 N LEU A 27 -8.122 1.349 8.720 1.00 0.00 N ATOM 265 CA LEU A 27 -9.246 2.262 8.677 1.00 0.00 C ATOM 266 C LEU A 27 -9.232 3.186 9.873 1.00 0.00 C ATOM 267 O LEU A 27 -8.608 2.903 10.892 1.00 0.00 O ATOM 268 CB LEU A 27 -10.570 1.516 8.617 1.00 0.00 C ATOM 269 CG LEU A 27 -10.901 0.878 7.276 1.00 0.00 C ATOM 270 CD1 LEU A 27 -12.263 0.250 7.330 1.00 0.00 C ATOM 271 CD2 LEU A 27 -10.877 1.904 6.167 1.00 0.00 C ATOM 0 H LEU A 27 -8.321 0.464 9.186 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.147 2.855 7.768 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.563 0.736 9.379 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.370 2.209 8.877 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.147 0.118 7.071 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.493 -0.205 6.366 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.280 -0.516 8.106 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.007 1.013 7.557 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -11.117 1.421 5.220 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.612 2.681 6.375 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.884 2.350 6.106 1.00 0.00 H new ATOM 283 N SER A 28 -9.871 4.319 9.711 1.00 0.00 N ATOM 284 CA SER A 28 -9.892 5.340 10.735 1.00 0.00 C ATOM 285 C SER A 28 -11.254 6.018 10.787 1.00 0.00 C ATOM 286 O SER A 28 -11.712 6.599 9.799 1.00 0.00 O ATOM 287 CB SER A 28 -8.795 6.365 10.460 1.00 0.00 C ATOM 288 OG SER A 28 -7.517 5.742 10.433 1.00 0.00 O ATOM 0 H SER A 28 -10.391 4.561 8.868 1.00 0.00 H new ATOM 0 HA SER A 28 -9.709 4.874 11.703 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.984 6.859 9.507 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.812 7.137 11.229 1.00 0.00 H new ATOM 0 HG SER A 28 -6.821 6.417 10.575 1.00 0.00 H new ATOM 334 N GLU B 15 9.394 -1.553 12.939 1.00 0.00 N ATOM 335 CA GLU B 15 8.476 -0.456 13.176 1.00 0.00 C ATOM 336 C GLU B 15 7.338 -0.508 12.166 1.00 0.00 C ATOM 337 O GLU B 15 7.519 -0.958 11.032 1.00 0.00 O ATOM 338 CB GLU B 15 9.215 0.884 13.084 1.00 0.00 C ATOM 339 CG GLU B 15 9.739 1.193 11.692 1.00 0.00 C ATOM 340 CD GLU B 15 10.570 2.460 11.636 1.00 0.00 C ATOM 341 OE1 GLU B 15 9.992 3.561 11.550 1.00 0.00 O ATOM 342 OE2 GLU B 15 11.818 2.360 11.663 1.00 0.00 O ATOM 0 HA GLU B 15 8.060 -0.550 14.179 1.00 0.00 H new ATOM 0 HB2 GLU B 15 8.542 1.683 13.396 1.00 0.00 H new ATOM 0 HB3 GLU B 15 10.050 0.878 13.785 1.00 0.00 H new ATOM 0 HG2 GLU B 15 10.342 0.355 11.343 1.00 0.00 H new ATOM 0 HG3 GLU B 15 8.897 1.287 11.006 1.00 0.00 H new ATOM 349 N ILE B 16 6.160 -0.091 12.589 1.00 0.00 N ATOM 350 CA ILE B 16 5.019 -0.023 11.701 1.00 0.00 C ATOM 351 C ILE B 16 4.784 1.410 11.276 1.00 0.00 C ATOM 352 O ILE B 16 4.272 2.223 12.043 1.00 0.00 O ATOM 353 CB ILE B 16 3.752 -0.574 12.366 1.00 0.00 C ATOM 354 CG1 ILE B 16 4.011 -1.991 12.865 1.00 0.00 C ATOM 355 CG2 ILE B 16 2.589 -0.555 11.383 1.00 0.00 C ATOM 356 CD1 ILE B 16 2.876 -2.565 13.671 1.00 0.00 C ATOM 0 H ILE B 16 5.969 0.206 13.546 1.00 0.00 H new ATOM 0 HA ILE B 16 5.239 -0.639 10.829 1.00 0.00 H new ATOM 0 HB ILE B 16 3.489 0.056 13.216 1.00 0.00 H new ATOM 0 HG12 ILE B 16 4.202 -2.639 12.009 1.00 0.00 H new ATOM 0 HG13 ILE B 16 4.915 -1.993 13.474 1.00 0.00 H new ATOM 0 HG21 ILE B 16 1.696 -0.949 11.868 1.00 0.00 H new ATOM 0 HG22 ILE B 16 2.404 0.469 11.058 1.00 0.00 H new ATOM 0 HG23 ILE B 16 2.834 -1.171 10.518 1.00 0.00 H new ATOM 0 HD11 ILE B 16 3.132 -3.575 13.992 1.00 0.00 H new ATOM 0 HD12 ILE B 16 2.699 -1.940 14.546 1.00 0.00 H new ATOM 0 HD13 ILE B 16 1.975 -2.596 13.059 1.00 0.00 H new ATOM 368 N VAL B 17 5.168 1.720 10.058 1.00 0.00 N ATOM 369 CA VAL B 17 5.072 3.077 9.576 1.00 0.00 C ATOM 370 C VAL B 17 3.802 3.313 8.787 1.00 0.00 C ATOM 371 O VAL B 17 3.495 2.594 7.845 1.00 0.00 O ATOM 372 CB VAL B 17 6.292 3.483 8.736 1.00 0.00 C ATOM 373 CG1 VAL B 17 7.438 3.859 9.654 1.00 0.00 C ATOM 374 CG2 VAL B 17 6.720 2.378 7.796 1.00 0.00 C ATOM 0 H VAL B 17 5.548 1.053 9.386 1.00 0.00 H new ATOM 0 HA VAL B 17 5.046 3.707 10.465 1.00 0.00 H new ATOM 0 HB VAL B 17 6.011 4.341 8.126 1.00 0.00 H new ATOM 0 HG11 VAL B 17 8.303 4.147 9.057 1.00 0.00 H new ATOM 0 HG12 VAL B 17 7.139 4.695 10.286 1.00 0.00 H new ATOM 0 HG13 VAL B 17 7.697 3.006 10.280 1.00 0.00 H new ATOM 0 HG21 VAL B 17 7.586 2.705 7.220 1.00 0.00 H new ATOM 0 HG22 VAL B 17 6.982 1.491 8.373 1.00 0.00 H new ATOM 0 HG23 VAL B 17 5.901 2.141 7.117 1.00 0.00 H new ATOM 384 N TYR B 18 3.062 4.314 9.215 1.00 0.00 N ATOM 385 CA TYR B 18 1.855 4.745 8.532 1.00 0.00 C ATOM 386 C TYR B 18 2.209 5.831 7.527 1.00 0.00 C ATOM 387 O TYR B 18 2.727 6.881 7.908 1.00 0.00 O ATOM 388 CB TYR B 18 0.830 5.306 9.527 1.00 0.00 C ATOM 389 CG TYR B 18 0.396 4.351 10.622 1.00 0.00 C ATOM 390 CD1 TYR B 18 -0.866 3.769 10.604 1.00 0.00 C ATOM 391 CD2 TYR B 18 1.236 4.055 11.689 1.00 0.00 C ATOM 392 CE1 TYR B 18 -1.278 2.925 11.615 1.00 0.00 C ATOM 393 CE2 TYR B 18 0.833 3.205 12.700 1.00 0.00 C ATOM 394 CZ TYR B 18 -0.424 2.644 12.660 1.00 0.00 C ATOM 395 OH TYR B 18 -0.831 1.804 13.673 1.00 0.00 O ATOM 0 H TYR B 18 3.280 4.856 10.051 1.00 0.00 H new ATOM 0 HA TYR B 18 1.419 3.883 8.027 1.00 0.00 H new ATOM 0 HB2 TYR B 18 1.251 6.198 9.992 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -0.054 5.622 8.973 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -1.536 3.981 9.784 1.00 0.00 H new ATOM 0 HD2 TYR B 18 2.221 4.497 11.728 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -2.265 2.487 11.588 1.00 0.00 H new ATOM 0 HE2 TYR B 18 1.501 2.981 13.519 1.00 0.00 H new ATOM 0 HH TYR B 18 -0.110 1.711 14.330 1.00 0.00 H new ATOM 405 N LEU B 19 1.968 5.574 6.254 1.00 0.00 N ATOM 406 CA LEU B 19 2.203 6.570 5.225 1.00 0.00 C ATOM 407 C LEU B 19 0.868 7.131 4.734 1.00 0.00 C ATOM 408 O LEU B 19 0.275 6.615 3.790 1.00 0.00 O ATOM 409 CB LEU B 19 2.992 5.967 4.050 1.00 0.00 C ATOM 410 CG LEU B 19 4.327 5.329 4.367 1.00 0.00 C ATOM 411 CD1 LEU B 19 5.142 6.290 5.167 1.00 0.00 C ATOM 412 CD2 LEU B 19 4.166 3.989 5.074 1.00 0.00 C ATOM 0 H LEU B 19 1.610 4.684 5.908 1.00 0.00 H new ATOM 0 HA LEU B 19 2.796 7.378 5.652 1.00 0.00 H new ATOM 0 HB2 LEU B 19 2.364 5.215 3.572 1.00 0.00 H new ATOM 0 HB3 LEU B 19 3.160 6.755 3.316 1.00 0.00 H new ATOM 0 HG LEU B 19 4.848 5.110 3.435 1.00 0.00 H new ATOM 0 HD11 LEU B 19 6.107 5.841 5.402 1.00 0.00 H new ATOM 0 HD12 LEU B 19 5.297 7.203 4.592 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.618 6.529 6.093 1.00 0.00 H new ATOM 0 HD21 LEU B 19 5.149 3.567 5.282 1.00 0.00 H new ATOM 0 HD22 LEU B 19 3.628 4.134 6.011 1.00 0.00 H new ATOM 0 HD23 LEU B 19 3.606 3.306 4.436 1.00 0.00 H new ATOM 424 N PRO B 20 0.375 8.204 5.374 1.00 0.00 N ATOM 425 CA PRO B 20 -0.950 8.752 5.096 1.00 0.00 C ATOM 426 C PRO B 20 -0.972 9.784 3.970 1.00 0.00 C ATOM 427 O PRO B 20 -2.022 10.055 3.389 1.00 0.00 O ATOM 428 CB PRO B 20 -1.312 9.409 6.425 1.00 0.00 C ATOM 429 CG PRO B 20 -0.010 9.867 6.997 1.00 0.00 C ATOM 430 CD PRO B 20 1.062 8.961 6.439 1.00 0.00 C ATOM 0 HA PRO B 20 -1.641 7.981 4.754 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -1.995 10.246 6.279 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -1.810 8.704 7.091 1.00 0.00 H new ATOM 0 HG2 PRO B 20 0.185 10.905 6.729 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -0.028 9.817 8.086 1.00 0.00 H new ATOM 0 HD2 PRO B 20 1.901 9.533 6.044 1.00 0.00 H new ATOM 0 HD3 PRO B 20 1.462 8.297 7.206 1.00 0.00 H new ATOM 438 N ASN B 21 0.182 10.357 3.654 1.00 0.00 N ATOM 439 CA ASN B 21 0.239 11.453 2.692 1.00 0.00 C ATOM 440 C ASN B 21 0.814 11.005 1.356 1.00 0.00 C ATOM 441 O ASN B 21 1.074 11.829 0.480 1.00 0.00 O ATOM 442 CB ASN B 21 1.067 12.615 3.244 1.00 0.00 C ATOM 443 CG ASN B 21 0.457 13.242 4.482 1.00 0.00 C ATOM 444 OD1 ASN B 21 0.721 12.809 5.605 1.00 0.00 O ATOM 445 ND2 ASN B 21 -0.352 14.271 4.288 1.00 0.00 N ATOM 0 H ASN B 21 1.084 10.085 4.045 1.00 0.00 H new ATOM 0 HA ASN B 21 -0.786 11.786 2.526 1.00 0.00 H new ATOM 0 HB2 ASN B 21 2.070 12.259 3.480 1.00 0.00 H new ATOM 0 HB3 ASN B 21 1.173 13.377 2.472 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -0.784 14.738 5.086 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -0.544 14.598 3.341 1.00 0.00 H new ATOM 452 N LEU B 22 1.009 9.705 1.194 1.00 0.00 N ATOM 453 CA LEU B 22 1.534 9.180 -0.058 1.00 0.00 C ATOM 454 C LEU B 22 0.509 9.312 -1.162 1.00 0.00 C ATOM 455 O LEU B 22 -0.696 9.220 -0.924 1.00 0.00 O ATOM 456 CB LEU B 22 1.936 7.712 0.069 1.00 0.00 C ATOM 457 CG LEU B 22 3.165 7.435 0.926 1.00 0.00 C ATOM 458 CD1 LEU B 22 3.538 5.966 0.855 1.00 0.00 C ATOM 459 CD2 LEU B 22 4.335 8.281 0.491 1.00 0.00 C ATOM 0 H LEU B 22 0.814 9.000 1.905 1.00 0.00 H new ATOM 0 HA LEU B 22 2.420 9.766 -0.302 1.00 0.00 H new ATOM 0 HB2 LEU B 22 1.094 7.158 0.484 1.00 0.00 H new ATOM 0 HB3 LEU B 22 2.116 7.316 -0.930 1.00 0.00 H new ATOM 0 HG LEU B 22 2.918 7.693 1.956 1.00 0.00 H new ATOM 0 HD11 LEU B 22 4.418 5.784 1.472 1.00 0.00 H new ATOM 0 HD12 LEU B 22 2.707 5.362 1.220 1.00 0.00 H new ATOM 0 HD13 LEU B 22 3.757 5.696 -0.178 1.00 0.00 H new ATOM 0 HD21 LEU B 22 5.197 8.061 1.121 1.00 0.00 H new ATOM 0 HD22 LEU B 22 4.579 8.059 -0.548 1.00 0.00 H new ATOM 0 HD23 LEU B 22 4.076 9.336 0.585 1.00 0.00 H new ATOM 471 N ASN B 23 0.999 9.536 -2.365 1.00 0.00 N ATOM 472 CA ASN B 23 0.133 9.605 -3.532 1.00 0.00 C ATOM 473 C ASN B 23 -0.373 8.212 -3.858 1.00 0.00 C ATOM 474 O ASN B 23 0.416 7.270 -3.952 1.00 0.00 O ATOM 475 CB ASN B 23 0.880 10.169 -4.746 1.00 0.00 C ATOM 476 CG ASN B 23 1.543 11.492 -4.469 1.00 0.00 C ATOM 477 OD1 ASN B 23 0.915 12.546 -4.506 1.00 0.00 O ATOM 478 ND2 ASN B 23 2.830 11.436 -4.235 1.00 0.00 N ATOM 0 H ASN B 23 1.990 9.674 -2.563 1.00 0.00 H new ATOM 0 HA ASN B 23 -0.700 10.270 -3.304 1.00 0.00 H new ATOM 0 HB2 ASN B 23 1.635 9.451 -5.066 1.00 0.00 H new ATOM 0 HB3 ASN B 23 0.180 10.286 -5.573 1.00 0.00 H new ATOM 0 HD21 ASN B 23 3.357 12.294 -4.073 1.00 0.00 H new ATOM 0 HD22 ASN B 23 3.306 10.534 -4.215 1.00 0.00 H new ATOM 485 N PRO B 24 -1.699 8.066 -4.020 1.00 0.00 N ATOM 486 CA PRO B 24 -2.328 6.797 -4.407 1.00 0.00 C ATOM 487 C PRO B 24 -1.633 6.156 -5.598 1.00 0.00 C ATOM 488 O PRO B 24 -1.486 4.937 -5.672 1.00 0.00 O ATOM 489 CB PRO B 24 -3.741 7.222 -4.793 1.00 0.00 C ATOM 490 CG PRO B 24 -4.014 8.409 -3.942 1.00 0.00 C ATOM 491 CD PRO B 24 -2.701 9.133 -3.820 1.00 0.00 C ATOM 0 HA PRO B 24 -2.286 6.054 -3.611 1.00 0.00 H new ATOM 0 HB2 PRO B 24 -3.806 7.469 -5.853 1.00 0.00 H new ATOM 0 HB3 PRO B 24 -4.461 6.425 -4.606 1.00 0.00 H new ATOM 0 HG2 PRO B 24 -4.773 9.048 -4.393 1.00 0.00 H new ATOM 0 HG3 PRO B 24 -4.389 8.111 -2.963 1.00 0.00 H new ATOM 0 HD2 PRO B 24 -2.605 9.919 -4.569 1.00 0.00 H new ATOM 0 HD3 PRO B 24 -2.593 9.607 -2.844 1.00 0.00 H new ATOM 499 N ASP B 25 -1.217 6.999 -6.528 1.00 0.00 N ATOM 500 CA ASP B 25 -0.461 6.559 -7.692 1.00 0.00 C ATOM 501 C ASP B 25 0.898 5.997 -7.301 1.00 0.00 C ATOM 502 O ASP B 25 1.294 4.935 -7.779 1.00 0.00 O ATOM 503 CB ASP B 25 -0.265 7.713 -8.675 1.00 0.00 C ATOM 504 CG ASP B 25 0.735 7.385 -9.767 1.00 0.00 C ATOM 505 OD1 ASP B 25 0.412 6.563 -10.647 1.00 0.00 O ATOM 506 OD2 ASP B 25 1.846 7.953 -9.749 1.00 0.00 O ATOM 0 H ASP B 25 -1.392 8.003 -6.499 1.00 0.00 H new ATOM 0 HA ASP B 25 -1.039 5.767 -8.168 1.00 0.00 H new ATOM 0 HB2 ASP B 25 -1.223 7.966 -9.129 1.00 0.00 H new ATOM 0 HB3 ASP B 25 0.073 8.595 -8.131 1.00 0.00 H new ATOM 511 N GLN B 26 1.611 6.692 -6.422 1.00 0.00 N ATOM 512 CA GLN B 26 2.987 6.316 -6.125 1.00 0.00 C ATOM 513 C GLN B 26 3.048 5.161 -5.127 1.00 0.00 C ATOM 514 O GLN B 26 4.107 4.561 -4.941 1.00 0.00 O ATOM 515 CB GLN B 26 3.812 7.512 -5.633 1.00 0.00 C ATOM 516 CG GLN B 26 3.673 7.818 -4.153 1.00 0.00 C ATOM 517 CD GLN B 26 4.629 8.890 -3.684 1.00 0.00 C ATOM 518 OE1 GLN B 26 4.338 9.613 -2.734 1.00 0.00 O ATOM 519 NE2 GLN B 26 5.763 9.016 -4.353 1.00 0.00 N ATOM 0 H GLN B 26 1.267 7.505 -5.911 1.00 0.00 H new ATOM 0 HA GLN B 26 3.432 5.974 -7.060 1.00 0.00 H new ATOM 0 HB2 GLN B 26 4.863 7.325 -5.853 1.00 0.00 H new ATOM 0 HB3 GLN B 26 3.519 8.395 -6.201 1.00 0.00 H new ATOM 0 HG2 GLN B 26 2.650 8.134 -3.947 1.00 0.00 H new ATOM 0 HG3 GLN B 26 3.847 6.907 -3.580 1.00 0.00 H new ATOM 0 HE21 GLN B 26 5.965 8.394 -5.136 1.00 0.00 H new ATOM 0 HE22 GLN B 26 6.436 9.735 -4.086 1.00 0.00 H new ATOM 528 N LEU B 27 1.924 4.846 -4.478 1.00 0.00 N ATOM 529 CA LEU B 27 1.836 3.621 -3.691 1.00 0.00 C ATOM 530 C LEU B 27 2.130 2.422 -4.576 1.00 0.00 C ATOM 531 O LEU B 27 2.826 1.496 -4.169 1.00 0.00 O ATOM 532 CB LEU B 27 0.459 3.458 -3.032 1.00 0.00 C ATOM 533 CG LEU B 27 0.195 4.365 -1.838 1.00 0.00 C ATOM 534 CD1 LEU B 27 -1.209 4.149 -1.313 1.00 0.00 C ATOM 535 CD2 LEU B 27 1.211 4.095 -0.753 1.00 0.00 C ATOM 0 H LEU B 27 1.077 5.414 -4.483 1.00 0.00 H new ATOM 0 HA LEU B 27 2.576 3.685 -2.893 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -0.309 3.642 -3.783 1.00 0.00 H new ATOM 0 HB3 LEU B 27 0.349 2.422 -2.711 1.00 0.00 H new ATOM 0 HG LEU B 27 0.287 5.404 -2.156 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -1.383 4.804 -0.460 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -1.930 4.376 -2.098 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -1.326 3.111 -1.003 1.00 0.00 H new ATOM 0 HD21 LEU B 27 1.016 4.747 0.098 1.00 0.00 H new ATOM 0 HD22 LEU B 27 1.138 3.054 -0.437 1.00 0.00 H new ATOM 0 HD23 LEU B 27 2.213 4.288 -1.136 1.00 0.00 H new ATOM 547 N CYS B 28 1.616 2.464 -5.800 1.00 0.00 N ATOM 548 CA CYS B 28 1.875 1.417 -6.778 1.00 0.00 C ATOM 549 C CYS B 28 3.377 1.270 -7.000 1.00 0.00 C ATOM 550 O CYS B 28 3.900 0.161 -7.058 1.00 0.00 O ATOM 551 CB CYS B 28 1.186 1.749 -8.102 1.00 0.00 C ATOM 552 SG CYS B 28 -0.556 2.259 -7.925 1.00 0.00 S ATOM 0 H CYS B 28 1.015 3.216 -6.138 1.00 0.00 H new ATOM 0 HA CYS B 28 1.476 0.477 -6.398 1.00 0.00 H new ATOM 0 HB2 CYS B 28 1.739 2.547 -8.597 1.00 0.00 H new ATOM 0 HB3 CYS B 28 1.234 0.876 -8.753 1.00 0.00 H new ATOM 557 N ALA B 29 4.063 2.407 -7.090 1.00 0.00 N ATOM 558 CA ALA B 29 5.506 2.432 -7.298 1.00 0.00 C ATOM 559 C ALA B 29 6.245 1.854 -6.095 1.00 0.00 C ATOM 560 O ALA B 29 7.094 0.975 -6.238 1.00 0.00 O ATOM 561 CB ALA B 29 5.970 3.858 -7.563 1.00 0.00 C ATOM 0 H ALA B 29 3.636 3.331 -7.021 1.00 0.00 H new ATOM 0 HA ALA B 29 5.736 1.813 -8.165 1.00 0.00 H new ATOM 0 HB1 ALA B 29 7.049 3.867 -7.717 1.00 0.00 H new ATOM 0 HB2 ALA B 29 5.473 4.243 -8.454 1.00 0.00 H new ATOM 0 HB3 ALA B 29 5.720 4.487 -6.708 1.00 0.00 H new ATOM 567 N PHE B 30 5.900 2.348 -4.913 1.00 0.00 N ATOM 568 CA PHE B 30 6.542 1.931 -3.677 1.00 0.00 C ATOM 569 C PHE B 30 6.330 0.439 -3.422 1.00 0.00 C ATOM 570 O PHE B 30 7.279 -0.291 -3.137 1.00 0.00 O ATOM 571 CB PHE B 30 6.002 2.788 -2.524 1.00 0.00 C ATOM 572 CG PHE B 30 5.985 2.109 -1.185 1.00 0.00 C ATOM 573 CD1 PHE B 30 4.780 1.746 -0.613 1.00 0.00 C ATOM 574 CD2 PHE B 30 7.157 1.836 -0.503 1.00 0.00 C ATOM 575 CE1 PHE B 30 4.740 1.119 0.617 1.00 0.00 C ATOM 576 CE2 PHE B 30 7.127 1.210 0.727 1.00 0.00 C ATOM 577 CZ PHE B 30 5.917 0.850 1.288 1.00 0.00 C ATOM 0 H PHE B 30 5.169 3.048 -4.786 1.00 0.00 H new ATOM 0 HA PHE B 30 7.619 2.082 -3.755 1.00 0.00 H new ATOM 0 HB2 PHE B 30 6.606 3.692 -2.449 1.00 0.00 H new ATOM 0 HB3 PHE B 30 4.987 3.102 -2.769 1.00 0.00 H new ATOM 0 HD1 PHE B 30 3.858 1.955 -1.135 1.00 0.00 H new ATOM 0 HD2 PHE B 30 8.105 2.116 -0.937 1.00 0.00 H new ATOM 0 HE1 PHE B 30 3.792 0.840 1.053 1.00 0.00 H new ATOM 0 HE2 PHE B 30 8.049 1.002 1.250 1.00 0.00 H new ATOM 0 HZ PHE B 30 5.891 0.359 2.250 1.00 0.00 H new ATOM 587 N ILE B 31 5.094 -0.012 -3.559 1.00 0.00 N ATOM 588 CA ILE B 31 4.758 -1.406 -3.319 1.00 0.00 C ATOM 589 C ILE B 31 5.394 -2.312 -4.368 1.00 0.00 C ATOM 590 O ILE B 31 5.840 -3.421 -4.068 1.00 0.00 O ATOM 591 CB ILE B 31 3.230 -1.602 -3.289 1.00 0.00 C ATOM 592 CG1 ILE B 31 2.636 -0.804 -2.125 1.00 0.00 C ATOM 593 CG2 ILE B 31 2.876 -3.077 -3.167 1.00 0.00 C ATOM 594 CD1 ILE B 31 1.135 -0.651 -2.190 1.00 0.00 C ATOM 0 H ILE B 31 4.303 0.570 -3.836 1.00 0.00 H new ATOM 0 HA ILE B 31 5.160 -1.684 -2.345 1.00 0.00 H new ATOM 0 HB ILE B 31 2.807 -1.236 -4.225 1.00 0.00 H new ATOM 0 HG12 ILE B 31 2.901 -1.295 -1.188 1.00 0.00 H new ATOM 0 HG13 ILE B 31 3.092 0.186 -2.106 1.00 0.00 H new ATOM 0 HG21 ILE B 31 1.792 -3.191 -3.148 1.00 0.00 H new ATOM 0 HG22 ILE B 31 3.283 -3.621 -4.020 1.00 0.00 H new ATOM 0 HG23 ILE B 31 3.299 -3.478 -2.246 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.791 -0.075 -1.331 1.00 0.00 H new ATOM 0 HD12 ILE B 31 0.862 -0.132 -3.109 1.00 0.00 H new ATOM 0 HD13 ILE B 31 0.668 -1.636 -2.177 1.00 0.00 H new ATOM 606 N HIS B 32 5.460 -1.818 -5.590 1.00 0.00 N ATOM 607 CA HIS B 32 6.106 -2.548 -6.673 1.00 0.00 C ATOM 608 C HIS B 32 7.591 -2.702 -6.373 1.00 0.00 C ATOM 609 O HIS B 32 8.185 -3.742 -6.647 1.00 0.00 O ATOM 610 CB HIS B 32 5.914 -1.823 -8.008 1.00 0.00 C ATOM 611 CG HIS B 32 6.364 -2.612 -9.200 1.00 0.00 C ATOM 612 ND1 HIS B 32 7.652 -2.574 -9.688 1.00 0.00 N ATOM 613 CD2 HIS B 32 5.684 -3.460 -10.006 1.00 0.00 C ATOM 614 CE1 HIS B 32 7.743 -3.364 -10.740 1.00 0.00 C ATOM 615 NE2 HIS B 32 6.565 -3.914 -10.956 1.00 0.00 N ATOM 0 H HIS B 32 5.075 -0.913 -5.861 1.00 0.00 H new ATOM 0 HA HIS B 32 5.647 -3.534 -6.750 1.00 0.00 H new ATOM 0 HB2 HIS B 32 4.859 -1.575 -8.127 1.00 0.00 H new ATOM 0 HB3 HIS B 32 6.462 -0.881 -7.980 1.00 0.00 H new ATOM 0 HD2 HIS B 32 4.642 -3.730 -9.918 1.00 0.00 H new ATOM 0 HE1 HIS B 32 8.634 -3.532 -11.327 1.00 0.00 H new ATOM 0 HE2 HIS B 32 6.344 -4.569 -11.706 1.00 0.00 H new ATOM 624 N SER B 33 8.174 -1.666 -5.784 1.00 0.00 N ATOM 625 CA SER B 33 9.586 -1.676 -5.437 1.00 0.00 C ATOM 626 C SER B 33 9.866 -2.678 -4.318 1.00 0.00 C ATOM 627 O SER B 33 10.918 -3.305 -4.296 1.00 0.00 O ATOM 628 CB SER B 33 10.037 -0.276 -5.025 1.00 0.00 C ATOM 629 OG SER B 33 9.747 0.673 -6.040 1.00 0.00 O ATOM 0 H SER B 33 7.687 -0.805 -5.536 1.00 0.00 H new ATOM 0 HA SER B 33 10.153 -1.984 -6.316 1.00 0.00 H new ATOM 0 HB2 SER B 33 9.538 0.013 -4.100 1.00 0.00 H new ATOM 0 HB3 SER B 33 11.108 -0.280 -4.822 1.00 0.00 H new ATOM 0 HG SER B 33 8.824 0.987 -5.940 1.00 0.00 H new ATOM 635 N ILE B 34 8.917 -2.830 -3.398 1.00 0.00 N ATOM 636 CA ILE B 34 9.038 -3.818 -2.327 1.00 0.00 C ATOM 637 C ILE B 34 8.995 -5.227 -2.899 1.00 0.00 C ATOM 638 O ILE B 34 9.679 -6.134 -2.427 1.00 0.00 O ATOM 639 CB ILE B 34 7.895 -3.688 -1.293 1.00 0.00 C ATOM 640 CG1 ILE B 34 7.894 -2.293 -0.659 1.00 0.00 C ATOM 641 CG2 ILE B 34 8.019 -4.763 -0.216 1.00 0.00 C ATOM 642 CD1 ILE B 34 9.133 -1.992 0.159 1.00 0.00 C ATOM 0 H ILE B 34 8.056 -2.283 -3.372 1.00 0.00 H new ATOM 0 HA ILE B 34 9.992 -3.631 -1.833 1.00 0.00 H new ATOM 0 HB ILE B 34 6.948 -3.829 -1.814 1.00 0.00 H new ATOM 0 HG12 ILE B 34 7.800 -1.546 -1.447 1.00 0.00 H new ATOM 0 HG13 ILE B 34 7.016 -2.195 -0.021 1.00 0.00 H new ATOM 0 HG21 ILE B 34 7.206 -4.654 0.502 1.00 0.00 H new ATOM 0 HG22 ILE B 34 7.966 -5.749 -0.678 1.00 0.00 H new ATOM 0 HG23 ILE B 34 8.974 -4.654 0.298 1.00 0.00 H new ATOM 0 HD11 ILE B 34 9.059 -0.987 0.575 1.00 0.00 H new ATOM 0 HD12 ILE B 34 9.218 -2.715 0.970 1.00 0.00 H new ATOM 0 HD13 ILE B 34 10.015 -2.056 -0.479 1.00 0.00 H new ATOM 654 N HIS B 35 8.176 -5.397 -3.919 1.00 0.00 N ATOM 655 CA HIS B 35 7.968 -6.700 -4.517 1.00 0.00 C ATOM 656 C HIS B 35 9.124 -7.060 -5.444 1.00 0.00 C ATOM 657 O HIS B 35 9.562 -8.210 -5.482 1.00 0.00 O ATOM 658 CB HIS B 35 6.642 -6.708 -5.273 1.00 0.00 C ATOM 659 CG HIS B 35 6.187 -8.076 -5.684 1.00 0.00 C ATOM 660 ND1 HIS B 35 6.177 -8.506 -6.991 1.00 0.00 N ATOM 661 CD2 HIS B 35 5.703 -9.103 -4.949 1.00 0.00 C ATOM 662 CE1 HIS B 35 5.706 -9.736 -7.044 1.00 0.00 C ATOM 663 NE2 HIS B 35 5.412 -10.123 -5.819 1.00 0.00 N ATOM 0 H HIS B 35 7.642 -4.644 -4.352 1.00 0.00 H new ATOM 0 HA HIS B 35 7.930 -7.452 -3.728 1.00 0.00 H new ATOM 0 HB2 HIS B 35 5.875 -6.253 -4.646 1.00 0.00 H new ATOM 0 HB3 HIS B 35 6.738 -6.085 -6.162 1.00 0.00 H new ATOM 0 HD2 HIS B 35 5.570 -9.117 -3.877 1.00 0.00 H new ATOM 0 HE1 HIS B 35 5.582 -10.327 -7.940 1.00 0.00 H new ATOM 0 HE2 HIS B 35 5.030 -11.033 -5.560 1.00 0.00 H new ATOM 672 N ASP B 36 9.620 -6.069 -6.178 1.00 0.00 N ATOM 673 CA ASP B 36 10.725 -6.284 -7.103 1.00 0.00 C ATOM 674 C ASP B 36 12.056 -6.310 -6.356 1.00 0.00 C ATOM 675 O ASP B 36 12.910 -7.155 -6.629 1.00 0.00 O ATOM 676 CB ASP B 36 10.737 -5.201 -8.186 1.00 0.00 C ATOM 677 CG ASP B 36 11.778 -5.455 -9.262 1.00 0.00 C ATOM 678 OD1 ASP B 36 12.688 -4.621 -9.424 1.00 0.00 O ATOM 679 OD2 ASP B 36 11.681 -6.483 -9.968 1.00 0.00 O ATOM 0 H ASP B 36 9.274 -5.110 -6.150 1.00 0.00 H new ATOM 0 HA ASP B 36 10.585 -7.252 -7.585 1.00 0.00 H new ATOM 0 HB2 ASP B 36 9.751 -5.144 -8.647 1.00 0.00 H new ATOM 0 HB3 ASP B 36 10.929 -4.233 -7.723 1.00 0.00 H new ATOM 684 N ASP B 37 12.233 -5.392 -5.407 1.00 0.00 N ATOM 685 CA ASP B 37 13.416 -5.367 -4.574 1.00 0.00 C ATOM 686 C ASP B 37 13.057 -5.586 -3.106 1.00 0.00 C ATOM 687 O ASP B 37 13.020 -4.636 -2.319 1.00 0.00 O ATOM 688 CB ASP B 37 14.137 -4.034 -4.729 1.00 0.00 C ATOM 689 CG ASP B 37 15.140 -4.037 -5.865 1.00 0.00 C ATOM 690 OD1 ASP B 37 14.942 -3.286 -6.842 1.00 0.00 O ATOM 691 OD2 ASP B 37 16.126 -4.805 -5.794 1.00 0.00 O ATOM 0 H ASP B 37 11.561 -4.653 -5.201 1.00 0.00 H new ATOM 0 HA ASP B 37 14.072 -6.176 -4.896 1.00 0.00 H new ATOM 0 HB2 ASP B 37 13.403 -3.247 -4.901 1.00 0.00 H new ATOM 0 HB3 ASP B 37 14.650 -3.793 -3.798 1.00 0.00 H new ATOM 696 N PRO B 38 12.815 -6.844 -2.702 1.00 0.00 N ATOM 697 CA PRO B 38 12.403 -7.164 -1.334 1.00 0.00 C ATOM 698 C PRO B 38 13.564 -7.091 -0.354 1.00 0.00 C ATOM 699 O PRO B 38 13.372 -7.048 0.861 1.00 0.00 O ATOM 700 CB PRO B 38 11.892 -8.593 -1.458 1.00 0.00 C ATOM 701 CG PRO B 38 12.704 -9.179 -2.560 1.00 0.00 C ATOM 702 CD PRO B 38 12.931 -8.057 -3.539 1.00 0.00 C ATOM 0 HA PRO B 38 11.663 -6.463 -0.947 1.00 0.00 H new ATOM 0 HB2 PRO B 38 12.026 -9.146 -0.528 1.00 0.00 H new ATOM 0 HB3 PRO B 38 10.828 -8.616 -1.692 1.00 0.00 H new ATOM 0 HG2 PRO B 38 13.650 -9.569 -2.185 1.00 0.00 H new ATOM 0 HG3 PRO B 38 12.181 -10.011 -3.032 1.00 0.00 H new ATOM 0 HD2 PRO B 38 13.911 -8.127 -4.011 1.00 0.00 H new ATOM 0 HD3 PRO B 38 12.191 -8.066 -4.339 1.00 0.00 H new ATOM 710 N SER B 39 14.769 -7.085 -0.890 1.00 0.00 N ATOM 711 CA SER B 39 15.960 -6.964 -0.073 1.00 0.00 C ATOM 712 C SER B 39 16.256 -5.495 0.214 1.00 0.00 C ATOM 713 O SER B 39 16.766 -5.154 1.280 1.00 0.00 O ATOM 714 CB SER B 39 17.146 -7.633 -0.766 1.00 0.00 C ATOM 715 OG SER B 39 16.812 -8.956 -1.162 1.00 0.00 O ATOM 0 H SER B 39 14.949 -7.163 -1.891 1.00 0.00 H new ATOM 0 HA SER B 39 15.790 -7.470 0.877 1.00 0.00 H new ATOM 0 HB2 SER B 39 17.441 -7.050 -1.638 1.00 0.00 H new ATOM 0 HB3 SER B 39 18.003 -7.654 -0.093 1.00 0.00 H new ATOM 0 HG SER B 39 17.582 -9.369 -1.606 1.00 0.00 H new ATOM 721 N GLN B 40 15.915 -4.623 -0.732 1.00 0.00 N ATOM 722 CA GLN B 40 16.083 -3.192 -0.545 1.00 0.00 C ATOM 723 C GLN B 40 14.908 -2.601 0.220 1.00 0.00 C ATOM 724 O GLN B 40 14.929 -1.420 0.552 1.00 0.00 O ATOM 725 CB GLN B 40 16.198 -2.463 -1.882 1.00 0.00 C ATOM 726 CG GLN B 40 17.267 -2.995 -2.806 1.00 0.00 C ATOM 727 CD GLN B 40 17.600 -2.019 -3.922 1.00 0.00 C ATOM 728 OE1 GLN B 40 16.753 -1.234 -4.353 1.00 0.00 O ATOM 729 NE2 GLN B 40 18.836 -2.053 -4.393 1.00 0.00 N ATOM 0 H GLN B 40 15.521 -4.887 -1.635 1.00 0.00 H new ATOM 0 HA GLN B 40 17.003 -3.057 0.023 1.00 0.00 H new ATOM 0 HB2 GLN B 40 15.237 -2.517 -2.393 1.00 0.00 H new ATOM 0 HB3 GLN B 40 16.397 -1.409 -1.689 1.00 0.00 H new ATOM 0 HG2 GLN B 40 18.168 -3.208 -2.231 1.00 0.00 H new ATOM 0 HG3 GLN B 40 16.934 -3.939 -3.238 1.00 0.00 H new ATOM 0 HE21 GLN B 40 19.509 -2.717 -4.011 1.00 0.00 H new ATOM 0 HE22 GLN B 40 19.115 -1.415 -5.138 1.00 0.00 H new ATOM 738 N SER B 41 13.875 -3.419 0.458 1.00 0.00 N ATOM 739 CA SER B 41 12.617 -2.965 1.064 1.00 0.00 C ATOM 740 C SER B 41 12.842 -1.990 2.218 1.00 0.00 C ATOM 741 O SER B 41 12.115 -1.007 2.349 1.00 0.00 O ATOM 742 CB SER B 41 11.809 -4.168 1.551 1.00 0.00 C ATOM 743 OG SER B 41 12.572 -4.970 2.436 1.00 0.00 O ATOM 0 H SER B 41 13.888 -4.414 0.236 1.00 0.00 H new ATOM 0 HA SER B 41 12.062 -2.431 0.293 1.00 0.00 H new ATOM 0 HB2 SER B 41 10.906 -3.824 2.054 1.00 0.00 H new ATOM 0 HB3 SER B 41 11.490 -4.766 0.697 1.00 0.00 H new ATOM 0 HG SER B 41 13.038 -5.666 1.927 1.00 0.00 H new ATOM 749 N ALA B 42 13.863 -2.266 3.028 1.00 0.00 N ATOM 750 CA ALA B 42 14.240 -1.412 4.151 1.00 0.00 C ATOM 751 C ALA B 42 14.368 0.053 3.734 1.00 0.00 C ATOM 752 O ALA B 42 13.920 0.955 4.440 1.00 0.00 O ATOM 753 CB ALA B 42 15.554 -1.896 4.733 1.00 0.00 C ATOM 0 H ALA B 42 14.453 -3.091 2.923 1.00 0.00 H new ATOM 0 HA ALA B 42 13.451 -1.474 4.901 1.00 0.00 H new ATOM 0 HB1 ALA B 42 15.837 -1.260 5.571 1.00 0.00 H new ATOM 0 HB2 ALA B 42 15.442 -2.924 5.079 1.00 0.00 H new ATOM 0 HB3 ALA B 42 16.329 -1.853 3.967 1.00 0.00 H new ATOM 759 N ASN B 43 14.974 0.280 2.582 1.00 0.00 N ATOM 760 CA ASN B 43 15.145 1.630 2.064 1.00 0.00 C ATOM 761 C ASN B 43 13.891 2.079 1.325 1.00 0.00 C ATOM 762 O ASN B 43 13.508 3.241 1.395 1.00 0.00 O ATOM 763 CB ASN B 43 16.352 1.716 1.124 1.00 0.00 C ATOM 764 CG ASN B 43 16.629 3.142 0.670 1.00 0.00 C ATOM 765 OD1 ASN B 43 16.436 4.099 1.421 1.00 0.00 O ATOM 766 ND2 ASN B 43 17.075 3.297 -0.566 1.00 0.00 N ATOM 0 H ASN B 43 15.357 -0.453 1.985 1.00 0.00 H new ATOM 0 HA ASN B 43 15.320 2.289 2.914 1.00 0.00 H new ATOM 0 HB2 ASN B 43 17.233 1.320 1.630 1.00 0.00 H new ATOM 0 HB3 ASN B 43 16.176 1.087 0.252 1.00 0.00 H new ATOM 0 HD21 ASN B 43 17.270 4.232 -0.924 1.00 0.00 H new ATOM 0 HD22 ASN B 43 17.224 2.482 -1.161 1.00 0.00 H new ATOM 773 N LEU B 44 13.239 1.152 0.627 1.00 0.00 N ATOM 774 CA LEU B 44 12.042 1.490 -0.139 1.00 0.00 C ATOM 775 C LEU B 44 10.938 2.051 0.757 1.00 0.00 C ATOM 776 O LEU B 44 10.219 2.967 0.356 1.00 0.00 O ATOM 777 CB LEU B 44 11.505 0.291 -0.937 1.00 0.00 C ATOM 778 CG LEU B 44 12.197 -0.008 -2.280 1.00 0.00 C ATOM 779 CD1 LEU B 44 12.629 1.271 -2.977 1.00 0.00 C ATOM 780 CD2 LEU B 44 13.380 -0.937 -2.104 1.00 0.00 C ATOM 0 H LEU B 44 13.515 0.171 0.576 1.00 0.00 H new ATOM 0 HA LEU B 44 12.344 2.262 -0.847 1.00 0.00 H new ATOM 0 HB2 LEU B 44 11.580 -0.597 -0.310 1.00 0.00 H new ATOM 0 HB3 LEU B 44 10.445 0.457 -1.129 1.00 0.00 H new ATOM 0 HG LEU B 44 11.464 -0.511 -2.910 1.00 0.00 H new ATOM 0 HD11 LEU B 44 13.114 1.025 -3.922 1.00 0.00 H new ATOM 0 HD12 LEU B 44 11.755 1.894 -3.169 1.00 0.00 H new ATOM 0 HD13 LEU B 44 13.328 1.814 -2.341 1.00 0.00 H new ATOM 0 HD21 LEU B 44 13.842 -1.125 -3.073 1.00 0.00 H new ATOM 0 HD22 LEU B 44 14.109 -0.476 -1.437 1.00 0.00 H new ATOM 0 HD23 LEU B 44 13.041 -1.880 -1.675 1.00 0.00 H new ATOM 792 N LEU B 45 10.797 1.524 1.973 1.00 0.00 N ATOM 793 CA LEU B 45 9.779 2.053 2.878 1.00 0.00 C ATOM 794 C LEU B 45 10.344 3.221 3.676 1.00 0.00 C ATOM 795 O LEU B 45 9.598 4.041 4.212 1.00 0.00 O ATOM 796 CB LEU B 45 9.195 0.976 3.809 1.00 0.00 C ATOM 797 CG LEU B 45 9.897 0.775 5.154 1.00 0.00 C ATOM 798 CD1 LEU B 45 8.929 0.183 6.158 1.00 0.00 C ATOM 799 CD2 LEU B 45 11.098 -0.135 5.011 1.00 0.00 C ATOM 0 H LEU B 45 11.355 0.756 2.345 1.00 0.00 H new ATOM 0 HA LEU B 45 8.951 2.408 2.265 1.00 0.00 H new ATOM 0 HB2 LEU B 45 8.152 1.224 4.004 1.00 0.00 H new ATOM 0 HB3 LEU B 45 9.202 0.025 3.276 1.00 0.00 H new ATOM 0 HG LEU B 45 10.241 1.748 5.505 1.00 0.00 H new ATOM 0 HD11 LEU B 45 9.436 0.043 7.113 1.00 0.00 H new ATOM 0 HD12 LEU B 45 8.084 0.859 6.291 1.00 0.00 H new ATOM 0 HD13 LEU B 45 8.570 -0.779 5.793 1.00 0.00 H new ATOM 0 HD21 LEU B 45 11.577 -0.260 5.982 1.00 0.00 H new ATOM 0 HD22 LEU B 45 10.776 -1.107 4.638 1.00 0.00 H new ATOM 0 HD23 LEU B 45 11.807 0.306 4.310 1.00 0.00 H new ATOM 811 N ALA B 46 11.668 3.299 3.735 1.00 0.00 N ATOM 812 CA ALA B 46 12.346 4.457 4.301 1.00 0.00 C ATOM 813 C ALA B 46 11.985 5.693 3.499 1.00 0.00 C ATOM 814 O ALA B 46 11.727 6.768 4.045 1.00 0.00 O ATOM 815 CB ALA B 46 13.851 4.254 4.269 1.00 0.00 C ATOM 0 H ALA B 46 12.295 2.570 3.396 1.00 0.00 H new ATOM 0 HA ALA B 46 12.029 4.583 5.336 1.00 0.00 H new ATOM 0 HB1 ALA B 46 14.345 5.127 4.695 1.00 0.00 H new ATOM 0 HB2 ALA B 46 14.111 3.370 4.851 1.00 0.00 H new ATOM 0 HB3 ALA B 46 14.178 4.119 3.238 1.00 0.00 H new ATOM 821 N GLU B 47 11.973 5.510 2.189 1.00 0.00 N ATOM 822 CA GLU B 47 11.595 6.554 1.258 1.00 0.00 C ATOM 823 C GLU B 47 10.167 6.970 1.483 1.00 0.00 C ATOM 824 O GLU B 47 9.864 8.149 1.513 1.00 0.00 O ATOM 825 CB GLU B 47 11.751 6.052 -0.162 1.00 0.00 C ATOM 826 CG GLU B 47 13.148 5.571 -0.442 1.00 0.00 C ATOM 827 CD GLU B 47 13.328 5.137 -1.874 1.00 0.00 C ATOM 828 OE1 GLU B 47 12.487 4.371 -2.378 1.00 0.00 O ATOM 829 OE2 GLU B 47 14.308 5.581 -2.510 1.00 0.00 O ATOM 0 H GLU B 47 12.227 4.629 1.742 1.00 0.00 H new ATOM 0 HA GLU B 47 12.244 7.414 1.420 1.00 0.00 H new ATOM 0 HB2 GLU B 47 11.046 5.239 -0.338 1.00 0.00 H new ATOM 0 HB3 GLU B 47 11.497 6.851 -0.858 1.00 0.00 H new ATOM 0 HG2 GLU B 47 13.856 6.368 -0.214 1.00 0.00 H new ATOM 0 HG3 GLU B 47 13.382 4.737 0.220 1.00 0.00 H new ATOM 836 N ALA B 48 9.301 5.985 1.647 1.00 0.00 N ATOM 837 CA ALA B 48 7.884 6.236 1.883 1.00 0.00 C ATOM 838 C ALA B 48 7.682 7.193 3.060 1.00 0.00 C ATOM 839 O ALA B 48 6.821 8.072 3.015 1.00 0.00 O ATOM 840 CB ALA B 48 7.149 4.925 2.113 1.00 0.00 C ATOM 0 H ALA B 48 9.553 4.997 1.621 1.00 0.00 H new ATOM 0 HA ALA B 48 7.468 6.714 0.996 1.00 0.00 H new ATOM 0 HB1 ALA B 48 6.092 5.126 2.288 1.00 0.00 H new ATOM 0 HB2 ALA B 48 7.257 4.289 1.235 1.00 0.00 H new ATOM 0 HB3 ALA B 48 7.571 4.419 2.982 1.00 0.00 H new ATOM 846 N LYS B 49 8.511 7.033 4.092 1.00 0.00 N ATOM 847 CA LYS B 49 8.464 7.896 5.274 1.00 0.00 C ATOM 848 C LYS B 49 8.859 9.331 4.922 1.00 0.00 C ATOM 849 O LYS B 49 8.357 10.291 5.505 1.00 0.00 O ATOM 850 CB LYS B 49 9.400 7.360 6.359 1.00 0.00 C ATOM 851 CG LYS B 49 9.072 5.954 6.821 1.00 0.00 C ATOM 852 CD LYS B 49 10.072 5.460 7.856 1.00 0.00 C ATOM 853 CE LYS B 49 10.008 6.287 9.130 1.00 0.00 C ATOM 854 NZ LYS B 49 10.876 5.738 10.203 1.00 0.00 N ATOM 0 H LYS B 49 9.228 6.309 4.133 1.00 0.00 H new ATOM 0 HA LYS B 49 7.440 7.898 5.647 1.00 0.00 H new ATOM 0 HB2 LYS B 49 10.423 7.378 5.982 1.00 0.00 H new ATOM 0 HB3 LYS B 49 9.365 8.030 7.218 1.00 0.00 H new ATOM 0 HG2 LYS B 49 8.068 5.934 7.245 1.00 0.00 H new ATOM 0 HG3 LYS B 49 9.070 5.280 5.965 1.00 0.00 H new ATOM 0 HD2 LYS B 49 9.870 4.415 8.089 1.00 0.00 H new ATOM 0 HD3 LYS B 49 11.079 5.505 7.441 1.00 0.00 H new ATOM 0 HE2 LYS B 49 10.309 7.311 8.911 1.00 0.00 H new ATOM 0 HE3 LYS B 49 8.978 6.326 9.484 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 11.057 6.475 10.914 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 10.401 4.930 10.654 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 11.779 5.424 9.793 1.00 0.00 H new ATOM 868 N LYS B 50 9.772 9.463 3.973 1.00 0.00 N ATOM 869 CA LYS B 50 10.207 10.769 3.495 1.00 0.00 C ATOM 870 C LYS B 50 9.189 11.319 2.502 1.00 0.00 C ATOM 871 O LYS B 50 8.907 12.516 2.467 1.00 0.00 O ATOM 872 CB LYS B 50 11.580 10.639 2.829 1.00 0.00 C ATOM 873 CG LYS B 50 12.106 11.932 2.228 1.00 0.00 C ATOM 874 CD LYS B 50 13.396 11.703 1.456 1.00 0.00 C ATOM 875 CE LYS B 50 14.514 11.205 2.359 1.00 0.00 C ATOM 876 NZ LYS B 50 14.899 12.214 3.380 1.00 0.00 N ATOM 0 H LYS B 50 10.230 8.676 3.514 1.00 0.00 H new ATOM 0 HA LYS B 50 10.284 11.458 4.336 1.00 0.00 H new ATOM 0 HB2 LYS B 50 12.296 10.277 3.566 1.00 0.00 H new ATOM 0 HB3 LYS B 50 11.521 9.885 2.045 1.00 0.00 H new ATOM 0 HG2 LYS B 50 11.354 12.358 1.564 1.00 0.00 H new ATOM 0 HG3 LYS B 50 12.280 12.659 3.021 1.00 0.00 H new ATOM 0 HD2 LYS B 50 13.220 10.978 0.662 1.00 0.00 H new ATOM 0 HD3 LYS B 50 13.703 12.633 0.977 1.00 0.00 H new ATOM 0 HE2 LYS B 50 14.196 10.289 2.857 1.00 0.00 H new ATOM 0 HE3 LYS B 50 15.384 10.953 1.753 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 15.778 11.915 3.849 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 15.048 13.135 2.920 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 14.141 12.299 4.087 1.00 0.00 H new ATOM 890 N LEU B 51 8.635 10.414 1.714 1.00 0.00 N ATOM 891 CA LEU B 51 7.666 10.734 0.689 1.00 0.00 C ATOM 892 C LEU B 51 6.416 11.372 1.287 1.00 0.00 C ATOM 893 O LEU B 51 5.995 12.441 0.856 1.00 0.00 O ATOM 894 CB LEU B 51 7.295 9.453 -0.048 1.00 0.00 C ATOM 895 CG LEU B 51 7.948 9.225 -1.410 1.00 0.00 C ATOM 896 CD1 LEU B 51 9.468 9.299 -1.321 1.00 0.00 C ATOM 897 CD2 LEU B 51 7.515 7.878 -1.965 1.00 0.00 C ATOM 0 H LEU B 51 8.852 9.419 1.772 1.00 0.00 H new ATOM 0 HA LEU B 51 8.106 11.454 -0.001 1.00 0.00 H new ATOM 0 HB2 LEU B 51 7.545 8.608 0.594 1.00 0.00 H new ATOM 0 HB3 LEU B 51 6.214 9.441 -0.184 1.00 0.00 H new ATOM 0 HG LEU B 51 7.620 10.017 -2.083 1.00 0.00 H new ATOM 0 HD11 LEU B 51 9.899 9.132 -2.308 1.00 0.00 H new ATOM 0 HD12 LEU B 51 9.764 10.283 -0.958 1.00 0.00 H new ATOM 0 HD13 LEU B 51 9.830 8.535 -0.633 1.00 0.00 H new ATOM 0 HD21 LEU B 51 7.982 7.718 -2.937 1.00 0.00 H new ATOM 0 HD22 LEU B 51 7.821 7.087 -1.280 1.00 0.00 H new ATOM 0 HD23 LEU B 51 6.431 7.862 -2.077 1.00 0.00 H new ATOM 909 N ASN B 52 5.829 10.719 2.287 1.00 0.00 N ATOM 910 CA ASN B 52 4.605 11.227 2.903 1.00 0.00 C ATOM 911 C ASN B 52 4.881 12.520 3.663 1.00 0.00 C ATOM 912 O ASN B 52 3.978 13.315 3.891 1.00 0.00 O ATOM 913 CB ASN B 52 3.981 10.191 3.849 1.00 0.00 C ATOM 914 CG ASN B 52 4.661 10.133 5.206 1.00 0.00 C ATOM 915 OD1 ASN B 52 5.627 9.404 5.395 1.00 0.00 O ATOM 916 ND2 ASN B 52 4.153 10.896 6.163 1.00 0.00 N ATOM 0 H ASN B 52 6.176 9.846 2.685 1.00 0.00 H new ATOM 0 HA ASN B 52 3.896 11.429 2.100 1.00 0.00 H new ATOM 0 HB2 ASN B 52 2.926 10.425 3.988 1.00 0.00 H new ATOM 0 HB3 ASN B 52 4.030 9.207 3.383 1.00 0.00 H new ATOM 0 HD21 ASN B 52 4.568 10.889 7.095 1.00 0.00 H new ATOM 0 HD22 ASN B 52 3.347 11.490 5.968 1.00 0.00 H new ATOM 923 N ASP B 53 6.130 12.719 4.057 1.00 0.00 N ATOM 924 CA ASP B 53 6.522 13.934 4.761 1.00 0.00 C ATOM 925 C ASP B 53 6.710 15.074 3.768 1.00 0.00 C ATOM 926 O ASP B 53 6.475 16.242 4.080 1.00 0.00 O ATOM 927 CB ASP B 53 7.808 13.696 5.555 1.00 0.00 C ATOM 928 CG ASP B 53 8.242 14.915 6.341 1.00 0.00 C ATOM 929 OD1 ASP B 53 9.199 15.595 5.916 1.00 0.00 O ATOM 930 OD2 ASP B 53 7.630 15.196 7.395 1.00 0.00 O ATOM 0 H ASP B 53 6.890 12.056 3.902 1.00 0.00 H new ATOM 0 HA ASP B 53 5.732 14.207 5.461 1.00 0.00 H new ATOM 0 HB2 ASP B 53 7.658 12.861 6.240 1.00 0.00 H new ATOM 0 HB3 ASP B 53 8.605 13.407 4.870 1.00 0.00 H new ATOM 935 N ALA B 54 7.124 14.717 2.562 1.00 0.00 N ATOM 936 CA ALA B 54 7.282 15.678 1.486 1.00 0.00 C ATOM 937 C ALA B 54 5.929 16.022 0.870 1.00 0.00 C ATOM 938 O ALA B 54 5.658 17.175 0.542 1.00 0.00 O ATOM 939 CB ALA B 54 8.226 15.124 0.431 1.00 0.00 C ATOM 0 H ALA B 54 7.358 13.758 2.304 1.00 0.00 H new ATOM 0 HA ALA B 54 7.710 16.594 1.893 1.00 0.00 H new ATOM 0 HB1 ALA B 54 8.340 15.851 -0.373 1.00 0.00 H new ATOM 0 HB2 ALA B 54 9.199 14.926 0.881 1.00 0.00 H new ATOM 0 HB3 ALA B 54 7.817 14.197 0.028 1.00 0.00 H new ATOM 945 N GLN B 55 5.079 15.011 0.736 1.00 0.00 N ATOM 946 CA GLN B 55 3.751 15.185 0.157 1.00 0.00 C ATOM 947 C GLN B 55 2.710 15.458 1.246 1.00 0.00 C ATOM 948 O GLN B 55 1.512 15.246 1.043 1.00 0.00 O ATOM 949 CB GLN B 55 3.351 13.935 -0.636 1.00 0.00 C ATOM 950 CG GLN B 55 4.318 13.576 -1.759 1.00 0.00 C ATOM 951 CD GLN B 55 4.318 14.577 -2.903 1.00 0.00 C ATOM 952 OE1 GLN B 55 5.338 14.785 -3.558 1.00 0.00 O ATOM 953 NE2 GLN B 55 3.172 15.184 -3.168 1.00 0.00 N ATOM 0 H GLN B 55 5.288 14.055 1.023 1.00 0.00 H new ATOM 0 HA GLN B 55 3.786 16.043 -0.514 1.00 0.00 H new ATOM 0 HB2 GLN B 55 3.277 13.091 0.050 1.00 0.00 H new ATOM 0 HB3 GLN B 55 2.359 14.089 -1.060 1.00 0.00 H new ATOM 0 HG2 GLN B 55 5.326 13.503 -1.350 1.00 0.00 H new ATOM 0 HG3 GLN B 55 4.060 12.591 -2.149 1.00 0.00 H new ATOM 0 HE21 GLN B 55 2.347 14.985 -2.602 1.00 0.00 H new ATOM 0 HE22 GLN B 55 3.114 15.850 -3.938 1.00 0.00 H new ATOM 962 N ALA B 56 3.175 15.914 2.403 1.00 0.00 N ATOM 963 CA ALA B 56 2.300 16.213 3.519 1.00 0.00 C ATOM 964 C ALA B 56 1.581 17.538 3.299 1.00 0.00 C ATOM 965 O ALA B 56 2.191 18.599 3.550 1.00 0.00 O ATOM 966 CB ALA B 56 3.115 16.252 4.795 1.00 0.00 C ATOM 0 H ALA B 56 4.163 16.084 2.589 1.00 0.00 H new ATOM 0 HA ALA B 56 1.542 15.434 3.600 1.00 0.00 H new ATOM 0 HB1 ALA B 56 2.461 16.477 5.638 1.00 0.00 H new ATOM 0 HB2 ALA B 56 3.591 15.284 4.953 1.00 0.00 H new ATOM 0 HB3 ALA B 56 3.881 17.024 4.714 1.00 0.00 H new ATOM 973 N GLY C 13 -13.926 0.580 11.125 1.00 0.00 N ATOM 974 CA GLY C 13 -13.417 1.969 11.051 1.00 0.00 C ATOM 975 C GLY C 13 -12.344 2.241 12.084 1.00 0.00 C ATOM 976 O GLY C 13 -12.497 3.120 12.929 1.00 0.00 O ATOM 0 HA2 GLY C 13 -13.015 2.154 10.055 1.00 0.00 H new ATOM 0 HA3 GLY C 13 -14.243 2.665 11.196 1.00 0.00 H new ATOM 980 N GLY C 14 -11.255 1.487 12.025 1.00 0.00 N ATOM 981 CA GLY C 14 -10.172 1.680 12.976 1.00 0.00 C ATOM 982 C GLY C 14 -9.277 0.465 13.093 1.00 0.00 C ATOM 983 O GLY C 14 -8.241 0.510 13.757 1.00 0.00 O ATOM 0 H GLY C 14 -11.100 0.748 11.340 1.00 0.00 H new ATOM 0 HA2 GLY C 14 -9.574 2.539 12.671 1.00 0.00 H new ATOM 0 HA3 GLY C 14 -10.590 1.914 13.955 1.00 0.00 H new ATOM 987 N GLU C 15 -9.675 -0.620 12.448 1.00 0.00 N ATOM 988 CA GLU C 15 -8.901 -1.847 12.477 1.00 0.00 C ATOM 989 C GLU C 15 -7.718 -1.771 11.531 1.00 0.00 C ATOM 990 O GLU C 15 -7.734 -1.032 10.543 1.00 0.00 O ATOM 991 CB GLU C 15 -9.757 -3.065 12.115 1.00 0.00 C ATOM 992 CG GLU C 15 -10.517 -2.957 10.803 1.00 0.00 C ATOM 993 CD GLU C 15 -11.785 -2.125 10.888 1.00 0.00 C ATOM 994 OE1 GLU C 15 -12.874 -2.713 11.063 1.00 0.00 O ATOM 995 OE2 GLU C 15 -11.706 -0.883 10.779 1.00 0.00 O ATOM 0 H GLU C 15 -10.532 -0.674 11.897 1.00 0.00 H new ATOM 0 HA GLU C 15 -8.539 -1.964 13.498 1.00 0.00 H new ATOM 0 HB2 GLU C 15 -9.111 -3.942 12.071 1.00 0.00 H new ATOM 0 HB3 GLU C 15 -10.474 -3.237 12.918 1.00 0.00 H new ATOM 0 HG2 GLU C 15 -9.860 -2.523 10.050 1.00 0.00 H new ATOM 0 HG3 GLU C 15 -10.775 -3.959 10.461 1.00 0.00 H new ATOM 1002 N ILE C 16 -6.703 -2.553 11.846 1.00 0.00 N ATOM 1003 CA ILE C 16 -5.510 -2.633 11.018 1.00 0.00 C ATOM 1004 C ILE C 16 -5.606 -3.859 10.130 1.00 0.00 C ATOM 1005 O ILE C 16 -5.885 -4.957 10.611 1.00 0.00 O ATOM 1006 CB ILE C 16 -4.217 -2.713 11.849 1.00 0.00 C ATOM 1007 CG1 ILE C 16 -4.230 -1.655 12.953 1.00 0.00 C ATOM 1008 CG2 ILE C 16 -3.008 -2.531 10.943 1.00 0.00 C ATOM 1009 CD1 ILE C 16 -2.887 -1.443 13.616 1.00 0.00 C ATOM 0 H ILE C 16 -6.679 -3.147 12.675 1.00 0.00 H new ATOM 0 HA ILE C 16 -5.461 -1.720 10.424 1.00 0.00 H new ATOM 0 HB ILE C 16 -4.155 -3.695 12.319 1.00 0.00 H new ATOM 0 HG12 ILE C 16 -4.569 -0.709 12.532 1.00 0.00 H new ATOM 0 HG13 ILE C 16 -4.957 -1.945 13.712 1.00 0.00 H new ATOM 0 HG21 ILE C 16 -2.096 -2.589 11.537 1.00 0.00 H new ATOM 0 HG22 ILE C 16 -2.999 -3.316 10.187 1.00 0.00 H new ATOM 0 HG23 ILE C 16 -3.062 -1.558 10.455 1.00 0.00 H new ATOM 0 HD11 ILE C 16 -2.979 -0.678 14.387 1.00 0.00 H new ATOM 0 HD12 ILE C 16 -2.553 -2.377 14.069 1.00 0.00 H new ATOM 0 HD13 ILE C 16 -2.160 -1.121 12.870 1.00 0.00 H new ATOM 1021 N VAL C 17 -5.380 -3.680 8.840 1.00 0.00 N ATOM 1022 CA VAL C 17 -5.666 -4.724 7.882 1.00 0.00 C ATOM 1023 C VAL C 17 -4.488 -4.918 6.915 1.00 0.00 C ATOM 1024 O VAL C 17 -4.357 -4.196 5.935 1.00 0.00 O ATOM 1025 CB VAL C 17 -6.966 -4.366 7.120 1.00 0.00 C ATOM 1026 CG1 VAL C 17 -7.307 -5.389 6.072 1.00 0.00 C ATOM 1027 CG2 VAL C 17 -8.132 -4.197 8.072 1.00 0.00 C ATOM 0 H VAL C 17 -5.001 -2.823 8.437 1.00 0.00 H new ATOM 0 HA VAL C 17 -5.809 -5.669 8.406 1.00 0.00 H new ATOM 0 HB VAL C 17 -6.779 -3.417 6.617 1.00 0.00 H new ATOM 0 HG11 VAL C 17 -8.226 -5.097 5.563 1.00 0.00 H new ATOM 0 HG12 VAL C 17 -6.495 -5.452 5.347 1.00 0.00 H new ATOM 0 HG13 VAL C 17 -7.448 -6.361 6.545 1.00 0.00 H new ATOM 0 HG21 VAL C 17 -9.030 -3.946 7.507 1.00 0.00 H new ATOM 0 HG22 VAL C 17 -8.294 -5.127 8.617 1.00 0.00 H new ATOM 0 HG23 VAL C 17 -7.912 -3.396 8.778 1.00 0.00 H new ATOM 1037 N TYR C 18 -3.625 -5.892 7.211 1.00 0.00 N ATOM 1038 CA TYR C 18 -2.421 -6.140 6.407 1.00 0.00 C ATOM 1039 C TYR C 18 -2.716 -7.038 5.212 1.00 0.00 C ATOM 1040 O TYR C 18 -3.295 -8.113 5.365 1.00 0.00 O ATOM 1041 CB TYR C 18 -1.323 -6.786 7.255 1.00 0.00 C ATOM 1042 CG TYR C 18 -0.778 -5.895 8.343 1.00 0.00 C ATOM 1043 CD1 TYR C 18 0.126 -4.885 8.047 1.00 0.00 C ATOM 1044 CD2 TYR C 18 -1.157 -6.073 9.665 1.00 0.00 C ATOM 1045 CE1 TYR C 18 0.637 -4.075 9.040 1.00 0.00 C ATOM 1046 CE2 TYR C 18 -0.653 -5.267 10.663 1.00 0.00 C ATOM 1047 CZ TYR C 18 0.243 -4.271 10.345 1.00 0.00 C ATOM 1048 OH TYR C 18 0.753 -3.473 11.340 1.00 0.00 O ATOM 0 H TYR C 18 -3.736 -6.525 8.003 1.00 0.00 H new ATOM 0 HA TYR C 18 -2.081 -5.171 6.042 1.00 0.00 H new ATOM 0 HB2 TYR C 18 -1.717 -7.695 7.709 1.00 0.00 H new ATOM 0 HB3 TYR C 18 -0.504 -7.086 6.602 1.00 0.00 H new ATOM 0 HD1 TYR C 18 0.434 -4.731 7.024 1.00 0.00 H new ATOM 0 HD2 TYR C 18 -1.858 -6.855 9.916 1.00 0.00 H new ATOM 0 HE1 TYR C 18 1.341 -3.293 8.796 1.00 0.00 H new ATOM 0 HE2 TYR C 18 -0.959 -5.416 11.688 1.00 0.00 H new ATOM 0 HH TYR C 18 1.644 -3.158 11.082 1.00 0.00 H new ATOM 1058 N LEU C 19 -2.306 -6.599 4.022 1.00 0.00 N ATOM 1059 CA LEU C 19 -2.541 -7.360 2.796 1.00 0.00 C ATOM 1060 C LEU C 19 -1.285 -7.424 1.931 1.00 0.00 C ATOM 1061 O LEU C 19 -1.224 -6.812 0.868 1.00 0.00 O ATOM 1062 CB LEU C 19 -3.693 -6.754 1.979 1.00 0.00 C ATOM 1063 CG LEU C 19 -5.097 -7.059 2.487 1.00 0.00 C ATOM 1064 CD1 LEU C 19 -5.393 -6.313 3.755 1.00 0.00 C ATOM 1065 CD2 LEU C 19 -6.116 -6.701 1.443 1.00 0.00 C ATOM 0 H LEU C 19 -1.809 -5.719 3.881 1.00 0.00 H new ATOM 0 HA LEU C 19 -2.812 -8.372 3.097 1.00 0.00 H new ATOM 0 HB2 LEU C 19 -3.564 -5.672 1.951 1.00 0.00 H new ATOM 0 HB3 LEU C 19 -3.613 -7.111 0.952 1.00 0.00 H new ATOM 0 HG LEU C 19 -5.149 -8.127 2.696 1.00 0.00 H new ATOM 0 HD11 LEU C 19 -6.402 -6.552 4.091 1.00 0.00 H new ATOM 0 HD12 LEU C 19 -4.676 -6.603 4.523 1.00 0.00 H new ATOM 0 HD13 LEU C 19 -5.316 -5.241 3.573 1.00 0.00 H new ATOM 0 HD21 LEU C 19 -7.115 -6.924 1.818 1.00 0.00 H new ATOM 0 HD22 LEU C 19 -6.043 -5.638 1.213 1.00 0.00 H new ATOM 0 HD23 LEU C 19 -5.930 -7.281 0.539 1.00 0.00 H new ATOM 1077 N PRO C 20 -0.270 -8.188 2.361 1.00 0.00 N ATOM 1078 CA PRO C 20 0.981 -8.316 1.618 1.00 0.00 C ATOM 1079 C PRO C 20 0.902 -9.373 0.518 1.00 0.00 C ATOM 1080 O PRO C 20 1.851 -9.567 -0.241 1.00 0.00 O ATOM 1081 CB PRO C 20 1.967 -8.737 2.700 1.00 0.00 C ATOM 1082 CG PRO C 20 1.152 -9.542 3.655 1.00 0.00 C ATOM 1083 CD PRO C 20 -0.249 -8.978 3.606 1.00 0.00 C ATOM 0 HA PRO C 20 1.253 -7.398 1.098 1.00 0.00 H new ATOM 0 HB2 PRO C 20 2.786 -9.324 2.284 1.00 0.00 H new ATOM 0 HB3 PRO C 20 2.412 -7.871 3.190 1.00 0.00 H new ATOM 0 HG2 PRO C 20 1.156 -10.596 3.376 1.00 0.00 H new ATOM 0 HG3 PRO C 20 1.561 -9.478 4.663 1.00 0.00 H new ATOM 0 HD2 PRO C 20 -0.998 -9.770 3.589 1.00 0.00 H new ATOM 0 HD3 PRO C 20 -0.460 -8.357 4.477 1.00 0.00 H new ATOM 1091 N ASN C 21 -0.237 -10.054 0.435 1.00 0.00 N ATOM 1092 CA ASN C 21 -0.427 -11.089 -0.573 1.00 0.00 C ATOM 1093 C ASN C 21 -1.031 -10.480 -1.824 1.00 0.00 C ATOM 1094 O ASN C 21 -1.121 -11.128 -2.866 1.00 0.00 O ATOM 1095 CB ASN C 21 -1.328 -12.222 -0.062 1.00 0.00 C ATOM 1096 CG ASN C 21 -0.734 -12.987 1.110 1.00 0.00 C ATOM 1097 OD1 ASN C 21 -0.016 -12.431 1.939 1.00 0.00 O ATOM 1098 ND2 ASN C 21 -1.033 -14.273 1.187 1.00 0.00 N ATOM 0 H ASN C 21 -1.037 -9.908 1.050 1.00 0.00 H new ATOM 0 HA ASN C 21 0.550 -11.516 -0.801 1.00 0.00 H new ATOM 0 HB2 ASN C 21 -2.289 -11.804 0.237 1.00 0.00 H new ATOM 0 HB3 ASN C 21 -1.522 -12.917 -0.879 1.00 0.00 H new ATOM 0 HD21 ASN C 21 -0.665 -14.837 1.953 1.00 0.00 H new ATOM 0 HD22 ASN C 21 -1.632 -14.700 0.481 1.00 0.00 H new ATOM 1105 N LEU C 22 -1.465 -9.235 -1.700 1.00 0.00 N ATOM 1106 CA LEU C 22 -1.964 -8.485 -2.833 1.00 0.00 C ATOM 1107 C LEU C 22 -0.843 -8.188 -3.808 1.00 0.00 C ATOM 1108 O LEU C 22 0.260 -7.812 -3.412 1.00 0.00 O ATOM 1109 CB LEU C 22 -2.595 -7.173 -2.378 1.00 0.00 C ATOM 1110 CG LEU C 22 -3.969 -7.281 -1.728 1.00 0.00 C ATOM 1111 CD1 LEU C 22 -4.484 -5.898 -1.382 1.00 0.00 C ATOM 1112 CD2 LEU C 22 -4.941 -7.990 -2.646 1.00 0.00 C ATOM 0 H LEU C 22 -1.480 -8.723 -0.818 1.00 0.00 H new ATOM 0 HA LEU C 22 -2.722 -9.093 -3.327 1.00 0.00 H new ATOM 0 HB2 LEU C 22 -1.918 -6.693 -1.671 1.00 0.00 H new ATOM 0 HB3 LEU C 22 -2.675 -6.513 -3.242 1.00 0.00 H new ATOM 0 HG LEU C 22 -3.878 -7.866 -0.813 1.00 0.00 H new ATOM 0 HD11 LEU C 22 -5.467 -5.981 -0.918 1.00 0.00 H new ATOM 0 HD12 LEU C 22 -3.795 -5.416 -0.689 1.00 0.00 H new ATOM 0 HD13 LEU C 22 -4.562 -5.301 -2.291 1.00 0.00 H new ATOM 0 HD21 LEU C 22 -5.916 -8.056 -2.163 1.00 0.00 H new ATOM 0 HD22 LEU C 22 -5.035 -7.432 -3.577 1.00 0.00 H new ATOM 0 HD23 LEU C 22 -4.573 -8.993 -2.860 1.00 0.00 H new ATOM 1124 N ASN C 23 -1.127 -8.374 -5.080 1.00 0.00 N ATOM 1125 CA ASN C 23 -0.171 -8.050 -6.120 1.00 0.00 C ATOM 1126 C ASN C 23 -0.186 -6.549 -6.347 1.00 0.00 C ATOM 1127 O ASN C 23 -1.258 -5.947 -6.286 1.00 0.00 O ATOM 1128 CB ASN C 23 -0.523 -8.768 -7.426 1.00 0.00 C ATOM 1129 CG ASN C 23 -0.757 -10.256 -7.243 1.00 0.00 C ATOM 1130 OD1 ASN C 23 -0.171 -10.891 -6.367 1.00 0.00 O ATOM 1131 ND2 ASN C 23 -1.625 -10.820 -8.067 1.00 0.00 N ATOM 0 H ASN C 23 -2.013 -8.748 -5.420 1.00 0.00 H new ATOM 0 HA ASN C 23 0.820 -8.377 -5.806 1.00 0.00 H new ATOM 0 HB2 ASN C 23 -1.418 -8.315 -7.853 1.00 0.00 H new ATOM 0 HB3 ASN C 23 0.283 -8.619 -8.144 1.00 0.00 H new ATOM 0 HD21 ASN C 23 -1.829 -11.816 -7.989 1.00 0.00 H new ATOM 0 HD22 ASN C 23 -2.090 -10.258 -8.780 1.00 0.00 H new ATOM 1138 N PRO C 24 0.978 -5.913 -6.569 1.00 0.00 N ATOM 1139 CA PRO C 24 1.060 -4.466 -6.811 1.00 0.00 C ATOM 1140 C PRO C 24 -0.040 -3.966 -7.745 1.00 0.00 C ATOM 1141 O PRO C 24 -0.726 -2.986 -7.449 1.00 0.00 O ATOM 1142 CB PRO C 24 2.434 -4.315 -7.452 1.00 0.00 C ATOM 1143 CG PRO C 24 3.247 -5.376 -6.797 1.00 0.00 C ATOM 1144 CD PRO C 24 2.313 -6.542 -6.584 1.00 0.00 C ATOM 0 HA PRO C 24 0.928 -3.881 -5.901 1.00 0.00 H new ATOM 0 HB2 PRO C 24 2.389 -4.454 -8.532 1.00 0.00 H new ATOM 0 HB3 PRO C 24 2.852 -3.324 -7.275 1.00 0.00 H new ATOM 0 HG2 PRO C 24 4.092 -5.662 -7.423 1.00 0.00 H new ATOM 0 HG3 PRO C 24 3.656 -5.025 -5.849 1.00 0.00 H new ATOM 0 HD2 PRO C 24 2.401 -7.278 -7.383 1.00 0.00 H new ATOM 0 HD3 PRO C 24 2.524 -7.060 -5.648 1.00 0.00 H new ATOM 1152 N ASP C 25 -0.215 -4.671 -8.856 1.00 0.00 N ATOM 1153 CA ASP C 25 -1.261 -4.358 -9.825 1.00 0.00 C ATOM 1154 C ASP C 25 -2.638 -4.380 -9.167 1.00 0.00 C ATOM 1155 O ASP C 25 -3.408 -3.424 -9.276 1.00 0.00 O ATOM 1156 CB ASP C 25 -1.239 -5.373 -10.970 1.00 0.00 C ATOM 1157 CG ASP C 25 0.126 -5.509 -11.610 1.00 0.00 C ATOM 1158 OD1 ASP C 25 0.959 -6.277 -11.083 1.00 0.00 O ATOM 1159 OD2 ASP C 25 0.371 -4.866 -12.648 1.00 0.00 O ATOM 0 H ASP C 25 0.361 -5.473 -9.111 1.00 0.00 H new ATOM 0 HA ASP C 25 -1.069 -3.358 -10.214 1.00 0.00 H new ATOM 0 HB2 ASP C 25 -1.557 -6.345 -10.593 1.00 0.00 H new ATOM 0 HB3 ASP C 25 -1.962 -5.073 -11.728 1.00 0.00 H new ATOM 1164 N GLN C 26 -2.927 -5.473 -8.463 1.00 0.00 N ATOM 1165 CA GLN C 26 -4.233 -5.679 -7.843 1.00 0.00 C ATOM 1166 C GLN C 26 -4.537 -4.609 -6.798 1.00 0.00 C ATOM 1167 O GLN C 26 -5.578 -3.954 -6.857 1.00 0.00 O ATOM 1168 CB GLN C 26 -4.313 -7.068 -7.197 1.00 0.00 C ATOM 1169 CG GLN C 26 -4.238 -8.219 -8.190 1.00 0.00 C ATOM 1170 CD GLN C 26 -5.345 -8.170 -9.227 1.00 0.00 C ATOM 1171 OE1 GLN C 26 -6.443 -7.682 -8.959 1.00 0.00 O ATOM 1172 NE2 GLN C 26 -5.064 -8.674 -10.418 1.00 0.00 N ATOM 0 H GLN C 26 -2.267 -6.235 -8.307 1.00 0.00 H new ATOM 0 HA GLN C 26 -4.979 -5.605 -8.634 1.00 0.00 H new ATOM 0 HB2 GLN C 26 -3.501 -7.170 -6.477 1.00 0.00 H new ATOM 0 HB3 GLN C 26 -5.246 -7.144 -6.638 1.00 0.00 H new ATOM 0 HG2 GLN C 26 -3.272 -8.196 -8.694 1.00 0.00 H new ATOM 0 HG3 GLN C 26 -4.293 -9.164 -7.650 1.00 0.00 H new ATOM 0 HE21 GLN C 26 -4.141 -9.069 -10.600 1.00 0.00 H new ATOM 0 HE22 GLN C 26 -5.770 -8.667 -11.154 1.00 0.00 H new ATOM 1181 N LEU C 27 -3.625 -4.417 -5.850 1.00 0.00 N ATOM 1182 CA LEU C 27 -3.861 -3.473 -4.760 1.00 0.00 C ATOM 1183 C LEU C 27 -3.868 -2.032 -5.260 1.00 0.00 C ATOM 1184 O LEU C 27 -4.469 -1.158 -4.638 1.00 0.00 O ATOM 1185 CB LEU C 27 -2.844 -3.668 -3.620 1.00 0.00 C ATOM 1186 CG LEU C 27 -1.364 -3.738 -4.016 1.00 0.00 C ATOM 1187 CD1 LEU C 27 -0.811 -2.354 -4.307 1.00 0.00 C ATOM 1188 CD2 LEU C 27 -0.555 -4.430 -2.923 1.00 0.00 C ATOM 0 H LEU C 27 -2.725 -4.896 -5.813 1.00 0.00 H new ATOM 0 HA LEU C 27 -4.852 -3.682 -4.356 1.00 0.00 H new ATOM 0 HB2 LEU C 27 -2.967 -2.849 -2.911 1.00 0.00 H new ATOM 0 HB3 LEU C 27 -3.098 -4.587 -3.092 1.00 0.00 H new ATOM 0 HG LEU C 27 -1.282 -4.326 -4.930 1.00 0.00 H new ATOM 0 HD11 LEU C 27 0.240 -2.433 -4.585 1.00 0.00 H new ATOM 0 HD12 LEU C 27 -1.370 -1.904 -5.127 1.00 0.00 H new ATOM 0 HD13 LEU C 27 -0.905 -1.730 -3.418 1.00 0.00 H new ATOM 0 HD21 LEU C 27 0.493 -4.472 -3.218 1.00 0.00 H new ATOM 0 HD22 LEU C 27 -0.648 -3.870 -1.992 1.00 0.00 H new ATOM 0 HD23 LEU C 27 -0.932 -5.442 -2.777 1.00 0.00 H new ATOM 1200 N CYS C 28 -3.225 -1.798 -6.397 1.00 0.00 N ATOM 1201 CA CYS C 28 -3.184 -0.469 -6.995 1.00 0.00 C ATOM 1202 C CYS C 28 -4.592 0.007 -7.336 1.00 0.00 C ATOM 1203 O CYS C 28 -4.923 1.183 -7.159 1.00 0.00 O ATOM 1204 CB CYS C 28 -2.317 -0.476 -8.257 1.00 0.00 C ATOM 1205 SG CYS C 28 -2.097 1.167 -9.017 1.00 0.00 S ATOM 0 H CYS C 28 -2.724 -2.513 -6.925 1.00 0.00 H new ATOM 0 HA CYS C 28 -2.746 0.217 -6.270 1.00 0.00 H new ATOM 0 HB2 CYS C 28 -1.337 -0.884 -8.010 1.00 0.00 H new ATOM 0 HB3 CYS C 28 -2.766 -1.146 -8.990 1.00 0.00 H new ATOM 1210 N ALA C 29 -5.423 -0.921 -7.799 1.00 0.00 N ATOM 1211 CA ALA C 29 -6.792 -0.604 -8.177 1.00 0.00 C ATOM 1212 C ALA C 29 -7.618 -0.228 -6.954 1.00 0.00 C ATOM 1213 O ALA C 29 -8.400 0.721 -6.990 1.00 0.00 O ATOM 1214 CB ALA C 29 -7.421 -1.781 -8.908 1.00 0.00 C ATOM 0 H ALA C 29 -5.169 -1.901 -7.921 1.00 0.00 H new ATOM 0 HA ALA C 29 -6.775 0.254 -8.849 1.00 0.00 H new ATOM 0 HB1 ALA C 29 -8.445 -1.532 -9.186 1.00 0.00 H new ATOM 0 HB2 ALA C 29 -6.845 -2.001 -9.807 1.00 0.00 H new ATOM 0 HB3 ALA C 29 -7.424 -2.655 -8.256 1.00 0.00 H new ATOM 1220 N PHE C 30 -7.421 -0.959 -5.863 1.00 0.00 N ATOM 1221 CA PHE C 30 -8.161 -0.703 -4.634 1.00 0.00 C ATOM 1222 C PHE C 30 -7.710 0.603 -4.002 1.00 0.00 C ATOM 1223 O PHE C 30 -8.529 1.366 -3.495 1.00 0.00 O ATOM 1224 CB PHE C 30 -7.993 -1.856 -3.647 1.00 0.00 C ATOM 1225 CG PHE C 30 -8.488 -3.165 -4.185 1.00 0.00 C ATOM 1226 CD1 PHE C 30 -7.662 -4.273 -4.209 1.00 0.00 C ATOM 1227 CD2 PHE C 30 -9.776 -3.281 -4.681 1.00 0.00 C ATOM 1228 CE1 PHE C 30 -8.110 -5.474 -4.715 1.00 0.00 C ATOM 1229 CE2 PHE C 30 -10.230 -4.481 -5.188 1.00 0.00 C ATOM 1230 CZ PHE C 30 -9.396 -5.580 -5.206 1.00 0.00 C ATOM 0 H PHE C 30 -6.757 -1.731 -5.805 1.00 0.00 H new ATOM 0 HA PHE C 30 -9.218 -0.621 -4.887 1.00 0.00 H new ATOM 0 HB2 PHE C 30 -6.939 -1.952 -3.385 1.00 0.00 H new ATOM 0 HB3 PHE C 30 -8.530 -1.621 -2.728 1.00 0.00 H new ATOM 0 HD1 PHE C 30 -6.655 -4.197 -3.827 1.00 0.00 H new ATOM 0 HD2 PHE C 30 -10.432 -2.423 -4.671 1.00 0.00 H new ATOM 0 HE1 PHE C 30 -7.455 -6.333 -4.727 1.00 0.00 H new ATOM 0 HE2 PHE C 30 -11.237 -4.560 -5.570 1.00 0.00 H new ATOM 0 HZ PHE C 30 -9.748 -6.521 -5.603 1.00 0.00 H new ATOM 1240 N ILE C 31 -6.409 0.862 -4.047 1.00 0.00 N ATOM 1241 CA ILE C 31 -5.865 2.126 -3.569 1.00 0.00 C ATOM 1242 C ILE C 31 -6.527 3.292 -4.294 1.00 0.00 C ATOM 1243 O ILE C 31 -6.979 4.257 -3.670 1.00 0.00 O ATOM 1244 CB ILE C 31 -4.336 2.194 -3.773 1.00 0.00 C ATOM 1245 CG1 ILE C 31 -3.629 1.220 -2.826 1.00 0.00 C ATOM 1246 CG2 ILE C 31 -3.829 3.614 -3.564 1.00 0.00 C ATOM 1247 CD1 ILE C 31 -2.126 1.181 -3.004 1.00 0.00 C ATOM 0 H ILE C 31 -5.711 0.213 -4.410 1.00 0.00 H new ATOM 0 HA ILE C 31 -6.073 2.193 -2.501 1.00 0.00 H new ATOM 0 HB ILE C 31 -4.110 1.902 -4.799 1.00 0.00 H new ATOM 0 HG12 ILE C 31 -3.857 1.498 -1.797 1.00 0.00 H new ATOM 0 HG13 ILE C 31 -4.031 0.219 -2.983 1.00 0.00 H new ATOM 0 HG21 ILE C 31 -2.749 3.640 -3.712 1.00 0.00 H new ATOM 0 HG22 ILE C 31 -4.310 4.281 -4.279 1.00 0.00 H new ATOM 0 HG23 ILE C 31 -4.064 3.939 -2.550 1.00 0.00 H new ATOM 0 HD11 ILE C 31 -1.695 0.470 -2.300 1.00 0.00 H new ATOM 0 HD12 ILE C 31 -1.888 0.873 -4.022 1.00 0.00 H new ATOM 0 HD13 ILE C 31 -1.712 2.172 -2.818 1.00 0.00 H new ATOM 1259 N HIS C 32 -6.598 3.182 -5.613 1.00 0.00 N ATOM 1260 CA HIS C 32 -7.232 4.204 -6.433 1.00 0.00 C ATOM 1261 C HIS C 32 -8.725 4.294 -6.114 1.00 0.00 C ATOM 1262 O HIS C 32 -9.313 5.375 -6.136 1.00 0.00 O ATOM 1263 CB HIS C 32 -7.027 3.888 -7.919 1.00 0.00 C ATOM 1264 CG HIS C 32 -7.449 4.998 -8.831 1.00 0.00 C ATOM 1265 ND1 HIS C 32 -8.673 5.034 -9.462 1.00 0.00 N ATOM 1266 CD2 HIS C 32 -6.799 6.122 -9.210 1.00 0.00 C ATOM 1267 CE1 HIS C 32 -8.758 6.131 -10.187 1.00 0.00 C ATOM 1268 NE2 HIS C 32 -7.635 6.807 -10.051 1.00 0.00 N ATOM 0 H HIS C 32 -6.223 2.393 -6.139 1.00 0.00 H new ATOM 0 HA HIS C 32 -6.771 5.166 -6.209 1.00 0.00 H new ATOM 0 HB2 HIS C 32 -5.974 3.666 -8.093 1.00 0.00 H new ATOM 0 HB3 HIS C 32 -7.588 2.988 -8.171 1.00 0.00 H new ATOM 0 HD2 HIS C 32 -5.807 6.423 -8.906 1.00 0.00 H new ATOM 0 HE1 HIS C 32 -9.604 6.426 -10.790 1.00 0.00 H new ATOM 0 HE2 HIS C 32 -7.422 7.698 -10.500 1.00 0.00 H new ATOM 1277 N SER C 33 -9.323 3.152 -5.805 1.00 0.00 N ATOM 1278 CA SER C 33 -10.742 3.081 -5.497 1.00 0.00 C ATOM 1279 C SER C 33 -11.044 3.798 -4.178 1.00 0.00 C ATOM 1280 O SER C 33 -12.042 4.512 -4.070 1.00 0.00 O ATOM 1281 CB SER C 33 -11.188 1.615 -5.439 1.00 0.00 C ATOM 1282 OG SER C 33 -12.594 1.492 -5.566 1.00 0.00 O ATOM 0 H SER C 33 -8.841 2.254 -5.761 1.00 0.00 H new ATOM 0 HA SER C 33 -11.302 3.584 -6.285 1.00 0.00 H new ATOM 0 HB2 SER C 33 -10.700 1.054 -6.236 1.00 0.00 H new ATOM 0 HB3 SER C 33 -10.867 1.174 -4.495 1.00 0.00 H new ATOM 0 HG SER C 33 -12.844 0.545 -5.527 1.00 0.00 H new ATOM 1288 N ILE C 34 -10.169 3.617 -3.184 1.00 0.00 N ATOM 1289 CA ILE C 34 -10.296 4.320 -1.906 1.00 0.00 C ATOM 1290 C ILE C 34 -10.215 5.825 -2.134 1.00 0.00 C ATOM 1291 O ILE C 34 -10.917 6.608 -1.500 1.00 0.00 O ATOM 1292 CB ILE C 34 -9.184 3.906 -0.910 1.00 0.00 C ATOM 1293 CG1 ILE C 34 -9.220 2.396 -0.647 1.00 0.00 C ATOM 1294 CG2 ILE C 34 -9.319 4.675 0.401 1.00 0.00 C ATOM 1295 CD1 ILE C 34 -10.509 1.919 -0.020 1.00 0.00 C ATOM 0 H ILE C 34 -9.366 2.990 -3.241 1.00 0.00 H new ATOM 0 HA ILE C 34 -11.262 4.050 -1.479 1.00 0.00 H new ATOM 0 HB ILE C 34 -8.222 4.154 -1.359 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -9.067 1.868 -1.589 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -8.389 2.130 0.006 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -8.528 4.369 1.086 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -9.236 5.744 0.206 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -10.290 4.462 0.849 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -10.461 0.841 0.136 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -10.654 2.418 0.938 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -11.343 2.153 -0.681 1.00 0.00 H new ATOM 1307 N HIS C 35 -9.349 6.208 -3.058 1.00 0.00 N ATOM 1308 CA HIS C 35 -9.178 7.605 -3.431 1.00 0.00 C ATOM 1309 C HIS C 35 -10.480 8.187 -3.980 1.00 0.00 C ATOM 1310 O HIS C 35 -10.908 9.268 -3.578 1.00 0.00 O ATOM 1311 CB HIS C 35 -8.066 7.730 -4.481 1.00 0.00 C ATOM 1312 CG HIS C 35 -7.932 9.099 -5.074 1.00 0.00 C ATOM 1313 ND1 HIS C 35 -8.579 9.481 -6.229 1.00 0.00 N ATOM 1314 CD2 HIS C 35 -7.220 10.176 -4.671 1.00 0.00 C ATOM 1315 CE1 HIS C 35 -8.272 10.732 -6.508 1.00 0.00 C ATOM 1316 NE2 HIS C 35 -7.451 11.176 -5.580 1.00 0.00 N ATOM 0 H HIS C 35 -8.746 5.563 -3.569 1.00 0.00 H new ATOM 0 HA HIS C 35 -8.901 8.168 -2.540 1.00 0.00 H new ATOM 0 HB2 HIS C 35 -7.117 7.450 -4.024 1.00 0.00 H new ATOM 0 HB3 HIS C 35 -8.257 7.016 -5.282 1.00 0.00 H new ATOM 0 HD1 HIS C 35 -9.199 8.888 -6.782 1.00 0.00 H new ATOM 0 HD2 HIS C 35 -6.588 10.237 -3.797 1.00 0.00 H new ATOM 0 HE1 HIS C 35 -8.633 11.297 -7.355 1.00 0.00 H new ATOM 1325 N ASP C 36 -11.103 7.460 -4.892 1.00 0.00 N ATOM 1326 CA ASP C 36 -12.274 7.960 -5.600 1.00 0.00 C ATOM 1327 C ASP C 36 -13.561 7.747 -4.813 1.00 0.00 C ATOM 1328 O ASP C 36 -14.576 8.384 -5.097 1.00 0.00 O ATOM 1329 CB ASP C 36 -12.375 7.314 -6.979 1.00 0.00 C ATOM 1330 CG ASP C 36 -11.472 7.987 -7.995 1.00 0.00 C ATOM 1331 OD1 ASP C 36 -10.244 8.041 -7.772 1.00 0.00 O ATOM 1332 OD2 ASP C 36 -11.987 8.467 -9.027 1.00 0.00 O ATOM 0 H ASP C 36 -10.818 6.518 -5.162 1.00 0.00 H new ATOM 0 HA ASP C 36 -12.147 9.036 -5.718 1.00 0.00 H new ATOM 0 HB2 ASP C 36 -12.112 6.259 -6.904 1.00 0.00 H new ATOM 0 HB3 ASP C 36 -13.407 7.361 -7.326 1.00 0.00 H new ATOM 1337 N ASP C 37 -13.524 6.873 -3.821 1.00 0.00 N ATOM 1338 CA ASP C 37 -14.686 6.653 -2.968 1.00 0.00 C ATOM 1339 C ASP C 37 -14.252 6.168 -1.591 1.00 0.00 C ATOM 1340 O ASP C 37 -14.308 4.975 -1.293 1.00 0.00 O ATOM 1341 CB ASP C 37 -15.666 5.646 -3.582 1.00 0.00 C ATOM 1342 CG ASP C 37 -17.071 5.828 -3.033 1.00 0.00 C ATOM 1343 OD1 ASP C 37 -17.961 6.265 -3.798 1.00 0.00 O ATOM 1344 OD2 ASP C 37 -17.290 5.567 -1.832 1.00 0.00 O ATOM 0 H ASP C 37 -12.709 6.306 -3.585 1.00 0.00 H new ATOM 0 HA ASP C 37 -15.200 7.610 -2.874 1.00 0.00 H new ATOM 0 HB2 ASP C 37 -15.680 5.765 -4.665 1.00 0.00 H new ATOM 0 HB3 ASP C 37 -15.323 4.632 -3.377 1.00 0.00 H new ATOM 1349 N PRO C 38 -13.804 7.095 -0.734 1.00 0.00 N ATOM 1350 CA PRO C 38 -13.427 6.787 0.651 1.00 0.00 C ATOM 1351 C PRO C 38 -14.640 6.450 1.519 1.00 0.00 C ATOM 1352 O PRO C 38 -14.520 6.243 2.728 1.00 0.00 O ATOM 1353 CB PRO C 38 -12.765 8.080 1.131 1.00 0.00 C ATOM 1354 CG PRO C 38 -13.383 9.143 0.295 1.00 0.00 C ATOM 1355 CD PRO C 38 -13.594 8.518 -1.054 1.00 0.00 C ATOM 0 HA PRO C 38 -12.780 5.912 0.716 1.00 0.00 H new ATOM 0 HB2 PRO C 38 -12.949 8.251 2.192 1.00 0.00 H new ATOM 0 HB3 PRO C 38 -11.684 8.047 0.997 1.00 0.00 H new ATOM 0 HG2 PRO C 38 -14.327 9.481 0.723 1.00 0.00 H new ATOM 0 HG3 PRO C 38 -12.734 10.016 0.226 1.00 0.00 H new ATOM 0 HD2 PRO C 38 -14.455 8.947 -1.567 1.00 0.00 H new ATOM 0 HD3 PRO C 38 -12.731 8.662 -1.704 1.00 0.00 H new ATOM 1363 N SER C 39 -15.806 6.407 0.895 1.00 0.00 N ATOM 1364 CA SER C 39 -17.024 6.011 1.572 1.00 0.00 C ATOM 1365 C SER C 39 -17.158 4.489 1.531 1.00 0.00 C ATOM 1366 O SER C 39 -17.503 3.852 2.528 1.00 0.00 O ATOM 1367 CB SER C 39 -18.223 6.682 0.904 1.00 0.00 C ATOM 1368 OG SER C 39 -18.010 8.080 0.763 1.00 0.00 O ATOM 0 H SER C 39 -15.932 6.645 -0.089 1.00 0.00 H new ATOM 0 HA SER C 39 -16.989 6.328 2.614 1.00 0.00 H new ATOM 0 HB2 SER C 39 -18.395 6.236 -0.076 1.00 0.00 H new ATOM 0 HB3 SER C 39 -19.120 6.505 1.497 1.00 0.00 H new ATOM 0 HG SER C 39 -18.790 8.488 0.332 1.00 0.00 H new ATOM 1374 N GLN C 40 -16.851 3.908 0.373 1.00 0.00 N ATOM 1375 CA GLN C 40 -16.808 2.461 0.217 1.00 0.00 C ATOM 1376 C GLN C 40 -15.521 1.887 0.793 1.00 0.00 C ATOM 1377 O GLN C 40 -15.304 0.685 0.731 1.00 0.00 O ATOM 1378 CB GLN C 40 -16.888 2.103 -1.259 1.00 0.00 C ATOM 1379 CG GLN C 40 -18.118 2.646 -1.944 1.00 0.00 C ATOM 1380 CD GLN C 40 -19.377 1.897 -1.567 1.00 0.00 C ATOM 1381 OE1 GLN C 40 -19.336 0.709 -1.239 1.00 0.00 O ATOM 1382 NE2 GLN C 40 -20.506 2.578 -1.626 1.00 0.00 N ATOM 0 H GLN C 40 -16.627 4.426 -0.477 1.00 0.00 H new ATOM 0 HA GLN C 40 -17.656 2.037 0.756 1.00 0.00 H new ATOM 0 HB2 GLN C 40 -16.001 2.484 -1.766 1.00 0.00 H new ATOM 0 HB3 GLN C 40 -16.873 1.018 -1.363 1.00 0.00 H new ATOM 0 HG2 GLN C 40 -18.236 3.699 -1.688 1.00 0.00 H new ATOM 0 HG3 GLN C 40 -17.980 2.595 -3.024 1.00 0.00 H new ATOM 0 HE21 GLN C 40 -20.496 3.560 -1.902 1.00 0.00 H new ATOM 0 HE22 GLN C 40 -21.389 2.122 -1.395 1.00 0.00 H new ATOM 1391 N SER C 41 -14.682 2.769 1.333 1.00 0.00 N ATOM 1392 CA SER C 41 -13.353 2.423 1.846 1.00 0.00 C ATOM 1393 C SER C 41 -13.308 1.042 2.517 1.00 0.00 C ATOM 1394 O SER C 41 -12.608 0.149 2.050 1.00 0.00 O ATOM 1395 CB SER C 41 -12.891 3.504 2.826 1.00 0.00 C ATOM 1396 OG SER C 41 -11.587 3.252 3.310 1.00 0.00 O ATOM 0 H SER C 41 -14.907 3.759 1.429 1.00 0.00 H new ATOM 0 HA SER C 41 -12.677 2.372 0.992 1.00 0.00 H new ATOM 0 HB2 SER C 41 -12.914 4.476 2.333 1.00 0.00 H new ATOM 0 HB3 SER C 41 -13.586 3.556 3.664 1.00 0.00 H new ATOM 0 HG SER C 41 -11.325 3.963 3.931 1.00 0.00 H new ATOM 1402 N ALA C 42 -14.059 0.873 3.601 1.00 0.00 N ATOM 1403 CA ALA C 42 -14.118 -0.396 4.323 1.00 0.00 C ATOM 1404 C ALA C 42 -14.480 -1.579 3.428 1.00 0.00 C ATOM 1405 O ALA C 42 -13.915 -2.662 3.555 1.00 0.00 O ATOM 1406 CB ALA C 42 -15.120 -0.284 5.449 1.00 0.00 C ATOM 0 H ALA C 42 -14.642 1.607 4.003 1.00 0.00 H new ATOM 0 HA ALA C 42 -13.119 -0.591 4.713 1.00 0.00 H new ATOM 0 HB1 ALA C 42 -15.167 -1.229 5.990 1.00 0.00 H new ATOM 0 HB2 ALA C 42 -14.814 0.510 6.131 1.00 0.00 H new ATOM 0 HB3 ALA C 42 -16.103 -0.051 5.039 1.00 0.00 H new ATOM 1412 N ASN C 43 -15.431 -1.378 2.537 1.00 0.00 N ATOM 1413 CA ASN C 43 -15.860 -2.436 1.631 1.00 0.00 C ATOM 1414 C ASN C 43 -14.809 -2.694 0.555 1.00 0.00 C ATOM 1415 O ASN C 43 -14.598 -3.833 0.144 1.00 0.00 O ATOM 1416 CB ASN C 43 -17.203 -2.081 1.004 1.00 0.00 C ATOM 1417 CG ASN C 43 -17.664 -3.099 -0.025 1.00 0.00 C ATOM 1418 OD1 ASN C 43 -17.393 -2.959 -1.218 1.00 0.00 O ATOM 1419 ND2 ASN C 43 -18.357 -4.131 0.428 1.00 0.00 N ATOM 0 H ASN C 43 -15.924 -0.493 2.418 1.00 0.00 H new ATOM 0 HA ASN C 43 -15.978 -3.354 2.206 1.00 0.00 H new ATOM 0 HB2 ASN C 43 -17.955 -2.000 1.789 1.00 0.00 H new ATOM 0 HB3 ASN C 43 -17.130 -1.102 0.531 1.00 0.00 H new ATOM 0 HD21 ASN C 43 -18.687 -4.847 -0.219 1.00 0.00 H new ATOM 0 HD22 ASN C 43 -18.561 -4.211 1.424 1.00 0.00 H new ATOM 1426 N LEU C 44 -14.132 -1.636 0.122 1.00 0.00 N ATOM 1427 CA LEU C 44 -13.027 -1.765 -0.820 1.00 0.00 C ATOM 1428 C LEU C 44 -11.855 -2.444 -0.127 1.00 0.00 C ATOM 1429 O LEU C 44 -11.025 -3.098 -0.762 1.00 0.00 O ATOM 1430 CB LEU C 44 -12.608 -0.385 -1.344 1.00 0.00 C ATOM 1431 CG LEU C 44 -13.380 0.164 -2.559 1.00 0.00 C ATOM 1432 CD1 LEU C 44 -14.760 -0.460 -2.692 1.00 0.00 C ATOM 1433 CD2 LEU C 44 -13.507 1.677 -2.455 1.00 0.00 C ATOM 0 H LEU C 44 -14.330 -0.678 0.409 1.00 0.00 H new ATOM 0 HA LEU C 44 -13.346 -2.370 -1.669 1.00 0.00 H new ATOM 0 HB2 LEU C 44 -12.706 0.331 -0.528 1.00 0.00 H new ATOM 0 HB3 LEU C 44 -11.551 -0.428 -1.605 1.00 0.00 H new ATOM 0 HG LEU C 44 -12.812 -0.100 -3.451 1.00 0.00 H new ATOM 0 HD11 LEU C 44 -15.266 -0.042 -3.562 1.00 0.00 H new ATOM 0 HD12 LEU C 44 -14.661 -1.539 -2.813 1.00 0.00 H new ATOM 0 HD13 LEU C 44 -15.343 -0.247 -1.796 1.00 0.00 H new ATOM 0 HD21 LEU C 44 -14.054 2.056 -3.318 1.00 0.00 H new ATOM 0 HD22 LEU C 44 -14.044 1.935 -1.543 1.00 0.00 H new ATOM 0 HD23 LEU C 44 -12.513 2.125 -2.430 1.00 0.00 H new ATOM 1445 N LEU C 45 -11.821 -2.310 1.196 1.00 0.00 N ATOM 1446 CA LEU C 45 -10.825 -2.928 2.012 1.00 0.00 C ATOM 1447 C LEU C 45 -11.169 -4.414 2.112 1.00 0.00 C ATOM 1448 O LEU C 45 -10.306 -5.280 1.983 1.00 0.00 O ATOM 1449 CB LEU C 45 -10.836 -2.210 3.384 1.00 0.00 C ATOM 1450 CG LEU C 45 -10.001 -2.827 4.482 1.00 0.00 C ATOM 1451 CD1 LEU C 45 -10.785 -3.967 5.081 1.00 0.00 C ATOM 1452 CD2 LEU C 45 -8.677 -3.278 3.920 1.00 0.00 C ATOM 0 H LEU C 45 -12.500 -1.759 1.721 1.00 0.00 H new ATOM 0 HA LEU C 45 -9.819 -2.846 1.601 1.00 0.00 H new ATOM 0 HB2 LEU C 45 -10.496 -1.185 3.234 1.00 0.00 H new ATOM 0 HB3 LEU C 45 -11.868 -2.156 3.731 1.00 0.00 H new ATOM 0 HG LEU C 45 -9.784 -2.103 5.267 1.00 0.00 H new ATOM 0 HD11 LEU C 45 -10.203 -4.430 5.878 1.00 0.00 H new ATOM 0 HD12 LEU C 45 -11.722 -3.589 5.489 1.00 0.00 H new ATOM 0 HD13 LEU C 45 -10.998 -4.707 4.310 1.00 0.00 H new ATOM 0 HD21 LEU C 45 -8.077 -3.722 4.714 1.00 0.00 H new ATOM 0 HD22 LEU C 45 -8.847 -4.017 3.137 1.00 0.00 H new ATOM 0 HD23 LEU C 45 -8.148 -2.421 3.502 1.00 0.00 H new ATOM 1464 N ALA C 46 -12.455 -4.685 2.320 1.00 0.00 N ATOM 1465 CA ALA C 46 -12.972 -6.048 2.377 1.00 0.00 C ATOM 1466 C ALA C 46 -12.771 -6.759 1.044 1.00 0.00 C ATOM 1467 O ALA C 46 -12.477 -7.955 1.000 1.00 0.00 O ATOM 1468 CB ALA C 46 -14.448 -6.026 2.750 1.00 0.00 C ATOM 0 H ALA C 46 -13.166 -3.966 2.454 1.00 0.00 H new ATOM 0 HA ALA C 46 -12.421 -6.598 3.140 1.00 0.00 H new ATOM 0 HB1 ALA C 46 -14.828 -7.047 2.791 1.00 0.00 H new ATOM 0 HB2 ALA C 46 -14.570 -5.554 3.725 1.00 0.00 H new ATOM 0 HB3 ALA C 46 -15.004 -5.461 2.002 1.00 0.00 H new ATOM 1474 N GLU C 47 -12.941 -6.014 -0.039 1.00 0.00 N ATOM 1475 CA GLU C 47 -12.721 -6.530 -1.382 1.00 0.00 C ATOM 1476 C GLU C 47 -11.262 -6.941 -1.555 1.00 0.00 C ATOM 1477 O GLU C 47 -10.960 -8.039 -2.028 1.00 0.00 O ATOM 1478 CB GLU C 47 -13.095 -5.464 -2.409 1.00 0.00 C ATOM 1479 CG GLU C 47 -12.972 -5.926 -3.848 1.00 0.00 C ATOM 1480 CD GLU C 47 -13.912 -7.071 -4.175 1.00 0.00 C ATOM 1481 OE1 GLU C 47 -15.120 -6.817 -4.374 1.00 0.00 O ATOM 1482 OE2 GLU C 47 -13.452 -8.231 -4.249 1.00 0.00 O ATOM 0 H GLU C 47 -13.235 -5.038 -0.012 1.00 0.00 H new ATOM 0 HA GLU C 47 -13.349 -7.408 -1.535 1.00 0.00 H new ATOM 0 HB2 GLU C 47 -14.121 -5.143 -2.227 1.00 0.00 H new ATOM 0 HB3 GLU C 47 -12.457 -4.592 -2.262 1.00 0.00 H new ATOM 0 HG2 GLU C 47 -13.180 -5.088 -4.514 1.00 0.00 H new ATOM 0 HG3 GLU C 47 -11.945 -6.238 -4.039 1.00 0.00 H new ATOM 1489 N ALA C 48 -10.361 -6.045 -1.177 1.00 0.00 N ATOM 1490 CA ALA C 48 -8.939 -6.348 -1.180 1.00 0.00 C ATOM 1491 C ALA C 48 -8.641 -7.545 -0.282 1.00 0.00 C ATOM 1492 O ALA C 48 -7.891 -8.442 -0.665 1.00 0.00 O ATOM 1493 CB ALA C 48 -8.132 -5.139 -0.735 1.00 0.00 C ATOM 0 H ALA C 48 -10.591 -5.102 -0.864 1.00 0.00 H new ATOM 0 HA ALA C 48 -8.648 -6.601 -2.200 1.00 0.00 H new ATOM 0 HB1 ALA C 48 -7.071 -5.387 -0.744 1.00 0.00 H new ATOM 0 HB2 ALA C 48 -8.317 -4.308 -1.416 1.00 0.00 H new ATOM 0 HB3 ALA C 48 -8.429 -4.854 0.274 1.00 0.00 H new ATOM 1499 N LYS C 49 -9.218 -7.547 0.920 1.00 0.00 N ATOM 1500 CA LYS C 49 -9.038 -8.641 1.867 1.00 0.00 C ATOM 1501 C LYS C 49 -9.497 -9.972 1.278 1.00 0.00 C ATOM 1502 O LYS C 49 -8.922 -11.018 1.575 1.00 0.00 O ATOM 1503 CB LYS C 49 -9.785 -8.345 3.168 1.00 0.00 C ATOM 1504 CG LYS C 49 -8.870 -8.178 4.364 1.00 0.00 C ATOM 1505 CD LYS C 49 -8.114 -9.462 4.674 1.00 0.00 C ATOM 1506 CE LYS C 49 -7.240 -9.320 5.910 1.00 0.00 C ATOM 1507 NZ LYS C 49 -6.476 -10.564 6.192 1.00 0.00 N ATOM 0 H LYS C 49 -9.818 -6.796 1.260 1.00 0.00 H new ATOM 0 HA LYS C 49 -7.973 -8.725 2.082 1.00 0.00 H new ATOM 0 HB2 LYS C 49 -10.374 -7.437 3.041 1.00 0.00 H new ATOM 0 HB3 LYS C 49 -10.487 -9.155 3.367 1.00 0.00 H new ATOM 0 HG2 LYS C 49 -8.160 -7.374 4.170 1.00 0.00 H new ATOM 0 HG3 LYS C 49 -9.457 -7.882 5.233 1.00 0.00 H new ATOM 0 HD2 LYS C 49 -8.825 -10.275 4.823 1.00 0.00 H new ATOM 0 HD3 LYS C 49 -7.494 -9.734 3.820 1.00 0.00 H new ATOM 0 HE2 LYS C 49 -6.546 -8.491 5.771 1.00 0.00 H new ATOM 0 HE3 LYS C 49 -7.863 -9.074 6.770 1.00 0.00 H new ATOM 0 HZ1 LYS C 49 -5.905 -10.434 7.051 1.00 0.00 H new ATOM 0 HZ2 LYS C 49 -7.138 -11.354 6.333 1.00 0.00 H new ATOM 0 HZ3 LYS C 49 -5.850 -10.776 5.389 1.00 0.00 H new ATOM 1521 N LYS C 50 -10.522 -9.928 0.440 1.00 0.00 N ATOM 1522 CA LYS C 50 -10.978 -11.111 -0.278 1.00 0.00 C ATOM 1523 C LYS C 50 -9.846 -11.652 -1.150 1.00 0.00 C ATOM 1524 O LYS C 50 -9.572 -12.852 -1.165 1.00 0.00 O ATOM 1525 CB LYS C 50 -12.196 -10.764 -1.139 1.00 0.00 C ATOM 1526 CG LYS C 50 -12.774 -11.940 -1.906 1.00 0.00 C ATOM 1527 CD LYS C 50 -13.384 -12.977 -0.978 1.00 0.00 C ATOM 1528 CE LYS C 50 -14.054 -14.095 -1.763 1.00 0.00 C ATOM 1529 NZ LYS C 50 -13.091 -14.826 -2.630 1.00 0.00 N ATOM 0 H LYS C 50 -11.056 -9.083 0.239 1.00 0.00 H new ATOM 0 HA LYS C 50 -11.268 -11.878 0.440 1.00 0.00 H new ATOM 0 HB2 LYS C 50 -12.972 -10.346 -0.498 1.00 0.00 H new ATOM 0 HB3 LYS C 50 -11.915 -9.985 -1.848 1.00 0.00 H new ATOM 0 HG2 LYS C 50 -13.534 -11.582 -2.600 1.00 0.00 H new ATOM 0 HG3 LYS C 50 -11.990 -12.404 -2.504 1.00 0.00 H new ATOM 0 HD2 LYS C 50 -12.608 -13.395 -0.336 1.00 0.00 H new ATOM 0 HD3 LYS C 50 -14.115 -12.499 -0.326 1.00 0.00 H new ATOM 0 HE2 LYS C 50 -14.520 -14.795 -1.070 1.00 0.00 H new ATOM 0 HE3 LYS C 50 -14.851 -13.678 -2.379 1.00 0.00 H new ATOM 0 HZ1 LYS C 50 -13.552 -15.669 -3.028 1.00 0.00 H new ATOM 0 HZ2 LYS C 50 -12.779 -14.205 -3.404 1.00 0.00 H new ATOM 0 HZ3 LYS C 50 -12.267 -15.116 -2.066 1.00 0.00 H new ATOM 1543 N LEU C 51 -9.179 -10.742 -1.853 1.00 0.00 N ATOM 1544 CA LEU C 51 -8.041 -11.080 -2.697 1.00 0.00 C ATOM 1545 C LEU C 51 -6.871 -11.571 -1.839 1.00 0.00 C ATOM 1546 O LEU C 51 -6.218 -12.559 -2.168 1.00 0.00 O ATOM 1547 CB LEU C 51 -7.637 -9.838 -3.483 1.00 0.00 C ATOM 1548 CG LEU C 51 -7.372 -10.027 -4.974 1.00 0.00 C ATOM 1549 CD1 LEU C 51 -7.480 -8.684 -5.666 1.00 0.00 C ATOM 1550 CD2 LEU C 51 -5.995 -10.633 -5.216 1.00 0.00 C ATOM 0 H LEU C 51 -9.413 -9.749 -1.853 1.00 0.00 H new ATOM 0 HA LEU C 51 -8.314 -11.880 -3.385 1.00 0.00 H new ATOM 0 HB2 LEU C 51 -8.424 -9.092 -3.369 1.00 0.00 H new ATOM 0 HB3 LEU C 51 -6.737 -9.424 -3.027 1.00 0.00 H new ATOM 0 HG LEU C 51 -8.113 -10.716 -5.380 1.00 0.00 H new ATOM 0 HD11 LEU C 51 -7.292 -8.808 -6.733 1.00 0.00 H new ATOM 0 HD12 LEU C 51 -8.481 -8.278 -5.519 1.00 0.00 H new ATOM 0 HD13 LEU C 51 -6.745 -7.998 -5.246 1.00 0.00 H new ATOM 0 HD21 LEU C 51 -5.835 -10.756 -6.287 1.00 0.00 H new ATOM 0 HD22 LEU C 51 -5.230 -9.972 -4.808 1.00 0.00 H new ATOM 0 HD23 LEU C 51 -5.934 -11.605 -4.726 1.00 0.00 H new ATOM 1562 N ASN C 52 -6.607 -10.851 -0.750 1.00 0.00 N ATOM 1563 CA ASN C 52 -5.627 -11.267 0.254 1.00 0.00 C ATOM 1564 C ASN C 52 -5.863 -12.711 0.697 1.00 0.00 C ATOM 1565 O ASN C 52 -4.938 -13.518 0.698 1.00 0.00 O ATOM 1566 CB ASN C 52 -5.700 -10.331 1.466 1.00 0.00 C ATOM 1567 CG ASN C 52 -4.775 -10.725 2.611 1.00 0.00 C ATOM 1568 OD1 ASN C 52 -5.084 -10.485 3.776 1.00 0.00 O ATOM 1569 ND2 ASN C 52 -3.638 -11.320 2.293 1.00 0.00 N ATOM 0 H ASN C 52 -7.065 -9.964 -0.538 1.00 0.00 H new ATOM 0 HA ASN C 52 -4.635 -11.210 -0.195 1.00 0.00 H new ATOM 0 HB2 ASN C 52 -5.454 -9.319 1.146 1.00 0.00 H new ATOM 0 HB3 ASN C 52 -6.726 -10.308 1.833 1.00 0.00 H new ATOM 0 HD21 ASN C 52 -2.984 -11.596 3.026 1.00 0.00 H new ATOM 0 HD22 ASN C 52 -3.415 -11.503 1.315 1.00 0.00 H new ATOM 1576 N ASP C 53 -7.107 -13.032 1.044 1.00 0.00 N ATOM 1577 CA ASP C 53 -7.459 -14.371 1.515 1.00 0.00 C ATOM 1578 C ASP C 53 -7.308 -15.387 0.398 1.00 0.00 C ATOM 1579 O ASP C 53 -6.946 -16.540 0.628 1.00 0.00 O ATOM 1580 CB ASP C 53 -8.897 -14.391 2.047 1.00 0.00 C ATOM 1581 CG ASP C 53 -9.402 -15.798 2.323 1.00 0.00 C ATOM 1582 OD1 ASP C 53 -10.036 -16.392 1.427 1.00 0.00 O ATOM 1583 OD2 ASP C 53 -9.172 -16.317 3.434 1.00 0.00 O ATOM 0 H ASP C 53 -7.891 -12.381 1.008 1.00 0.00 H new ATOM 0 HA ASP C 53 -6.779 -14.636 2.324 1.00 0.00 H new ATOM 0 HB2 ASP C 53 -8.949 -13.805 2.964 1.00 0.00 H new ATOM 0 HB3 ASP C 53 -9.554 -13.909 1.323 1.00 0.00 H new ATOM 1588 N ALA C 54 -7.582 -14.937 -0.810 1.00 0.00 N ATOM 1589 CA ALA C 54 -7.480 -15.769 -1.994 1.00 0.00 C ATOM 1590 C ALA C 54 -6.035 -16.165 -2.250 1.00 0.00 C ATOM 1591 O ALA C 54 -5.734 -17.326 -2.527 1.00 0.00 O ATOM 1592 CB ALA C 54 -8.032 -15.007 -3.175 1.00 0.00 C ATOM 0 H ALA C 54 -7.883 -13.981 -1.000 1.00 0.00 H new ATOM 0 HA ALA C 54 -8.055 -16.683 -1.844 1.00 0.00 H new ATOM 0 HB1 ALA C 54 -7.960 -15.623 -4.071 1.00 0.00 H new ATOM 0 HB2 ALA C 54 -9.076 -14.756 -2.990 1.00 0.00 H new ATOM 0 HB3 ALA C 54 -7.458 -14.091 -3.318 1.00 0.00 H new ATOM 1598 N GLN C 55 -5.143 -15.193 -2.130 1.00 0.00 N ATOM 1599 CA GLN C 55 -3.723 -15.420 -2.351 1.00 0.00 C ATOM 1600 C GLN C 55 -3.056 -15.927 -1.079 1.00 0.00 C ATOM 1601 O GLN C 55 -1.830 -16.028 -1.001 1.00 0.00 O ATOM 1602 CB GLN C 55 -3.050 -14.131 -2.828 1.00 0.00 C ATOM 1603 CG GLN C 55 -3.578 -13.630 -4.165 1.00 0.00 C ATOM 1604 CD GLN C 55 -3.235 -14.553 -5.321 1.00 0.00 C ATOM 1605 OE1 GLN C 55 -3.088 -15.765 -5.151 1.00 0.00 O ATOM 1606 NE2 GLN C 55 -3.118 -13.989 -6.509 1.00 0.00 N ATOM 0 H GLN C 55 -5.380 -14.233 -1.879 1.00 0.00 H new ATOM 0 HA GLN C 55 -3.611 -16.181 -3.123 1.00 0.00 H new ATOM 0 HB2 GLN C 55 -3.194 -13.355 -2.076 1.00 0.00 H new ATOM 0 HB3 GLN C 55 -1.976 -14.300 -2.910 1.00 0.00 H new ATOM 0 HG2 GLN C 55 -4.661 -13.520 -4.104 1.00 0.00 H new ATOM 0 HG3 GLN C 55 -3.168 -12.640 -4.364 1.00 0.00 H new ATOM 0 HE21 GLN C 55 -3.247 -12.982 -6.611 1.00 0.00 H new ATOM 0 HE22 GLN C 55 -2.899 -14.560 -7.325 1.00 0.00 H new ATOM 1615 N ALA C 56 -3.869 -16.219 -0.077 1.00 0.00 N ATOM 1616 CA ALA C 56 -3.383 -16.780 1.165 1.00 0.00 C ATOM 1617 C ALA C 56 -3.592 -18.291 1.174 1.00 0.00 C ATOM 1618 O ALA C 56 -4.586 -18.757 1.776 1.00 0.00 O ATOM 1619 CB ALA C 56 -4.102 -16.127 2.329 1.00 0.00 C ATOM 0 H ALA C 56 -4.878 -16.073 -0.105 1.00 0.00 H new ATOM 0 HA ALA C 56 -2.315 -16.586 1.261 1.00 0.00 H new ATOM 0 HB1 ALA C 56 -3.737 -16.549 3.265 1.00 0.00 H new ATOM 0 HB2 ALA C 56 -3.914 -15.053 2.317 1.00 0.00 H new ATOM 0 HB3 ALA C 56 -5.173 -16.308 2.243 1.00 0.00 H new