USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 484 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 22 SER OG : rot 180:sc= -0.719 USER MOD Set 1.2: A 24 GLN : amide:sc= 0 K(o=-0.72,f=-1.2) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 16 THR OG1 : rot -111:sc= -0.599 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.35 X(o=-0.35,f=-0.078) USER MOD Single : A 26 GLN :FLIP amide:sc= 0 F(o=-0.74,f=0) USER MOD Single : A 27 GLN : amide:sc= -2.33! C(o=-2.3!,f=-7.7!) USER MOD Single : A 28 GLN :FLIP amide:sc= -0.842 F(o=-5.6!,f=-0.84) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -67:sc= 1.19 USER MOD Single : A 36 ASN : amide:sc= -2.06! C(o=-2.1!,f=-7.4!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 MET CE :methyl -138:sc= -5.8! (180deg=-10.9!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.0573 X(o=-0.057,f=-0.12) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0991) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.12 X(o=0.12,f=0) USER MOD Single : A 55 GLN :FLIP amide:sc=-0.00155 F(o=-1.2,f=-0.0015) USER MOD Single : A 58 MET CE :methyl 161:sc= -0.0961 (180deg=-0.481) USER MOD Single : A 59 GLN : amide:sc= -0.552 K(o=-0.55,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -10.171 16.114 -6.577 1.00 0.00 N ATOM 2 CA PRO A 1 -9.173 15.029 -6.703 1.00 0.00 C ATOM 3 C PRO A 1 -7.785 15.457 -6.221 1.00 0.00 C ATOM 4 O PRO A 1 -7.102 14.698 -5.533 1.00 0.00 O ATOM 5 CB PRO A 1 -9.101 14.595 -8.162 1.00 0.00 C ATOM 6 CG PRO A 1 -9.992 15.557 -8.867 1.00 0.00 C ATOM 7 CD PRO A 1 -10.953 16.091 -7.828 1.00 0.00 C ATOM 0 H2 PRO A 1 -9.715 17.017 -6.448 1.00 0.00 H new ATOM 0 H3 PRO A 1 -10.773 15.965 -5.767 1.00 0.00 H new ATOM 0 HA PRO A 1 -9.491 14.201 -6.069 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -8.081 14.643 -8.543 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -9.442 13.568 -8.290 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -9.414 16.366 -9.313 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -10.530 15.065 -9.677 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -11.309 17.087 -8.092 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -11.832 15.453 -7.735 1.00 0.00 H new ATOM 17 N ASN A 2 -7.378 16.671 -6.574 1.00 0.00 N ATOM 18 CA ASN A 2 -6.009 17.128 -6.331 1.00 0.00 C ATOM 19 C ASN A 2 -5.806 17.649 -4.909 1.00 0.00 C ATOM 20 O ASN A 2 -4.673 17.861 -4.475 1.00 0.00 O ATOM 21 CB ASN A 2 -5.639 18.225 -7.332 1.00 0.00 C ATOM 22 CG ASN A 2 -5.605 17.730 -8.767 1.00 0.00 C ATOM 23 OD1 ASN A 2 -6.616 17.754 -9.469 1.00 0.00 O ATOM 24 ND2 ASN A 2 -4.439 17.290 -9.216 1.00 0.00 N ATOM 0 H ASN A 2 -7.976 17.360 -7.031 1.00 0.00 H new ATOM 0 HA ASN A 2 -5.358 16.263 -6.459 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -6.358 19.040 -7.251 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -4.663 18.634 -7.071 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -4.356 16.955 -10.176 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -3.624 17.287 -8.602 1.00 0.00 H new ATOM 31 N ARG A 3 -6.892 17.863 -4.185 1.00 0.00 N ATOM 32 CA ARG A 3 -6.804 18.428 -2.847 1.00 0.00 C ATOM 33 C ARG A 3 -7.223 17.413 -1.790 1.00 0.00 C ATOM 34 O ARG A 3 -8.308 16.834 -1.875 1.00 0.00 O ATOM 35 CB ARG A 3 -7.673 19.687 -2.755 1.00 0.00 C ATOM 36 CG ARG A 3 -7.664 20.350 -1.389 1.00 0.00 C ATOM 37 CD ARG A 3 -8.474 21.637 -1.397 1.00 0.00 C ATOM 38 NE ARG A 3 -7.876 22.658 -2.257 1.00 0.00 N ATOM 39 CZ ARG A 3 -8.485 23.209 -3.310 1.00 0.00 C ATOM 40 NH1 ARG A 3 -9.710 22.832 -3.656 1.00 0.00 N ATOM 41 NH2 ARG A 3 -7.860 24.145 -4.011 1.00 0.00 N ATOM 0 H ARG A 3 -7.840 17.656 -4.498 1.00 0.00 H new ATOM 0 HA ARG A 3 -5.765 18.696 -2.656 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -7.330 20.407 -3.498 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -8.699 19.426 -3.013 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -8.073 19.665 -0.647 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -6.637 20.565 -1.093 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -9.487 21.425 -1.738 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -8.553 22.021 -0.380 1.00 0.00 H new ATOM 0 HE ARG A 3 -6.930 22.970 -2.038 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -10.195 22.115 -3.116 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -10.166 23.259 -4.462 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -6.920 24.440 -3.745 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -8.319 24.570 -4.817 1.00 0.00 H new ATOM 55 N SER A 4 -6.337 17.198 -0.812 1.00 0.00 N ATOM 56 CA SER A 4 -6.615 16.367 0.362 1.00 0.00 C ATOM 57 C SER A 4 -6.593 14.870 0.034 1.00 0.00 C ATOM 58 O SER A 4 -6.782 14.452 -1.113 1.00 0.00 O ATOM 59 CB SER A 4 -7.961 16.763 0.986 1.00 0.00 C ATOM 60 OG SER A 4 -8.164 16.144 2.245 1.00 0.00 O ATOM 0 H SER A 4 -5.399 17.600 -0.814 1.00 0.00 H new ATOM 0 HA SER A 4 -5.818 16.547 1.084 1.00 0.00 H new ATOM 0 HB2 SER A 4 -8.002 17.846 1.103 1.00 0.00 H new ATOM 0 HB3 SER A 4 -8.770 16.485 0.310 1.00 0.00 H new ATOM 0 HG SER A 4 -9.030 16.422 2.610 1.00 0.00 H new ATOM 66 N ILE A 5 -6.327 14.076 1.063 1.00 0.00 N ATOM 67 CA ILE A 5 -6.356 12.625 0.962 1.00 0.00 C ATOM 68 C ILE A 5 -7.736 12.121 1.381 1.00 0.00 C ATOM 69 O ILE A 5 -8.269 12.546 2.408 1.00 0.00 O ATOM 70 CB ILE A 5 -5.256 11.983 1.857 1.00 0.00 C ATOM 71 CG1 ILE A 5 -5.330 10.452 1.826 1.00 0.00 C ATOM 72 CG2 ILE A 5 -5.355 12.490 3.292 1.00 0.00 C ATOM 73 CD1 ILE A 5 -4.882 9.841 0.515 1.00 0.00 C ATOM 0 H ILE A 5 -6.085 14.421 1.992 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.157 12.338 -0.071 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.290 12.282 1.450 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.713 10.052 2.631 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.356 10.144 2.027 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -4.575 12.026 3.896 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.228 13.573 3.305 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.332 12.234 3.702 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.964 8.756 0.573 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.514 10.210 -0.293 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -3.846 10.117 0.320 1.00 0.00 H new ATOM 85 N SER A 6 -8.327 11.247 0.579 1.00 0.00 N ATOM 86 CA SER A 6 -9.669 10.755 0.856 1.00 0.00 C ATOM 87 C SER A 6 -9.669 9.855 2.091 1.00 0.00 C ATOM 88 O SER A 6 -9.036 8.797 2.099 1.00 0.00 O ATOM 89 CB SER A 6 -10.220 9.992 -0.357 1.00 0.00 C ATOM 90 OG SER A 6 -11.587 9.655 -0.170 1.00 0.00 O ATOM 0 H SER A 6 -7.901 10.865 -0.265 1.00 0.00 H new ATOM 0 HA SER A 6 -10.314 11.612 1.053 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.112 10.602 -1.254 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.637 9.085 -0.516 1.00 0.00 H new ATOM 0 HG SER A 6 -11.915 9.171 -0.957 1.00 0.00 H new ATOM 96 N PRO A 7 -10.389 10.264 3.151 1.00 0.00 N ATOM 97 CA PRO A 7 -10.478 9.488 4.391 1.00 0.00 C ATOM 98 C PRO A 7 -11.324 8.227 4.217 1.00 0.00 C ATOM 99 O PRO A 7 -11.166 7.256 4.954 1.00 0.00 O ATOM 100 CB PRO A 7 -11.143 10.455 5.374 1.00 0.00 C ATOM 101 CG PRO A 7 -11.919 11.396 4.521 1.00 0.00 C ATOM 102 CD PRO A 7 -11.161 11.519 3.227 1.00 0.00 C ATOM 0 HA PRO A 7 -9.503 9.134 4.725 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -11.793 9.925 6.070 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -10.400 10.984 5.971 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -12.927 11.021 4.346 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -12.020 12.367 5.006 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.835 11.626 2.377 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.507 12.391 3.227 1.00 0.00 H new ATOM 110 N SER A 8 -12.213 8.247 3.227 1.00 0.00 N ATOM 111 CA SER A 8 -13.064 7.103 2.941 1.00 0.00 C ATOM 112 C SER A 8 -12.222 5.910 2.504 1.00 0.00 C ATOM 113 O SER A 8 -12.404 4.796 2.994 1.00 0.00 O ATOM 114 CB SER A 8 -14.075 7.469 1.855 1.00 0.00 C ATOM 115 OG SER A 8 -14.780 8.651 2.203 1.00 0.00 O ATOM 0 H SER A 8 -12.360 9.046 2.610 1.00 0.00 H new ATOM 0 HA SER A 8 -13.603 6.827 3.847 1.00 0.00 H new ATOM 0 HB2 SER A 8 -13.560 7.613 0.905 1.00 0.00 H new ATOM 0 HB3 SER A 8 -14.778 6.648 1.715 1.00 0.00 H new ATOM 0 HG SER A 8 -15.421 8.870 1.495 1.00 0.00 H new ATOM 121 N ALA A 9 -11.274 6.164 1.605 1.00 0.00 N ATOM 122 CA ALA A 9 -10.383 5.122 1.110 1.00 0.00 C ATOM 123 C ALA A 9 -9.524 4.559 2.238 1.00 0.00 C ATOM 124 O ALA A 9 -9.235 3.365 2.275 1.00 0.00 O ATOM 125 CB ALA A 9 -9.502 5.663 -0.007 1.00 0.00 C ATOM 0 H ALA A 9 -11.104 7.086 1.204 1.00 0.00 H new ATOM 0 HA ALA A 9 -10.995 4.313 0.712 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -8.843 4.873 -0.366 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -10.129 6.013 -0.827 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -8.903 6.492 0.371 1.00 0.00 H new ATOM 131 N LEU A 10 -9.131 5.427 3.162 1.00 0.00 N ATOM 132 CA LEU A 10 -8.326 5.020 4.308 1.00 0.00 C ATOM 133 C LEU A 10 -9.112 4.076 5.213 1.00 0.00 C ATOM 134 O LEU A 10 -8.570 3.097 5.734 1.00 0.00 O ATOM 135 CB LEU A 10 -7.871 6.250 5.099 1.00 0.00 C ATOM 136 CG LEU A 10 -7.030 7.259 4.312 1.00 0.00 C ATOM 137 CD1 LEU A 10 -6.706 8.465 5.180 1.00 0.00 C ATOM 138 CD2 LEU A 10 -5.750 6.607 3.802 1.00 0.00 C ATOM 0 H LEU A 10 -9.358 6.421 3.140 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.447 4.491 3.939 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.753 6.760 5.485 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.294 5.915 5.961 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.608 7.596 3.451 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.108 9.175 4.608 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.632 8.944 5.497 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.146 8.142 6.057 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.165 7.339 3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.166 6.243 4.647 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.002 5.772 3.149 1.00 0.00 H new ATOM 150 N GLN A 11 -10.390 4.377 5.391 1.00 0.00 N ATOM 151 CA GLN A 11 -11.268 3.545 6.198 1.00 0.00 C ATOM 152 C GLN A 11 -11.548 2.218 5.502 1.00 0.00 C ATOM 153 O GLN A 11 -11.508 1.160 6.128 1.00 0.00 O ATOM 154 CB GLN A 11 -12.580 4.269 6.495 1.00 0.00 C ATOM 155 CG GLN A 11 -12.424 5.453 7.433 1.00 0.00 C ATOM 156 CD GLN A 11 -13.737 6.162 7.694 1.00 0.00 C ATOM 157 OE1 GLN A 11 -14.803 5.547 7.657 1.00 0.00 O ATOM 158 NE2 GLN A 11 -13.671 7.452 7.971 1.00 0.00 N ATOM 0 H GLN A 11 -10.843 5.196 4.985 1.00 0.00 H new ATOM 0 HA GLN A 11 -10.761 3.342 7.142 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -13.015 4.614 5.557 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -13.285 3.561 6.931 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -12.005 5.110 8.379 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -11.712 6.159 7.006 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -12.767 7.924 7.991 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -14.524 7.976 8.164 1.00 0.00 H new ATOM 167 N ASP A 12 -11.822 2.278 4.204 1.00 0.00 N ATOM 168 CA ASP A 12 -12.060 1.067 3.421 1.00 0.00 C ATOM 169 C ASP A 12 -10.833 0.174 3.457 1.00 0.00 C ATOM 170 O ASP A 12 -10.941 -1.044 3.598 1.00 0.00 O ATOM 171 CB ASP A 12 -12.411 1.403 1.967 1.00 0.00 C ATOM 172 CG ASP A 12 -13.778 2.036 1.822 1.00 0.00 C ATOM 173 OD1 ASP A 12 -14.719 1.591 2.516 1.00 0.00 O ATOM 174 OD2 ASP A 12 -13.926 2.969 0.999 1.00 0.00 O ATOM 0 H ASP A 12 -11.885 3.146 3.672 1.00 0.00 H new ATOM 0 HA ASP A 12 -12.907 0.543 3.865 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.658 2.080 1.564 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -12.373 0.492 1.370 1.00 0.00 H new ATOM 179 N LEU A 13 -9.668 0.801 3.355 1.00 0.00 N ATOM 180 CA LEU A 13 -8.400 0.092 3.364 1.00 0.00 C ATOM 181 C LEU A 13 -8.210 -0.690 4.657 1.00 0.00 C ATOM 182 O LEU A 13 -7.856 -1.865 4.627 1.00 0.00 O ATOM 183 CB LEU A 13 -7.244 1.077 3.180 1.00 0.00 C ATOM 184 CG LEU A 13 -5.849 0.458 3.220 1.00 0.00 C ATOM 185 CD1 LEU A 13 -5.700 -0.588 2.130 1.00 0.00 C ATOM 186 CD2 LEU A 13 -4.787 1.536 3.077 1.00 0.00 C ATOM 0 H LEU A 13 -9.578 1.813 3.264 1.00 0.00 H new ATOM 0 HA LEU A 13 -8.409 -0.617 2.536 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.371 1.586 2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.309 1.838 3.958 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.715 -0.032 4.184 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.700 -1.019 2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.440 -1.374 2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.853 -0.123 1.156 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.798 1.079 3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.919 2.053 2.126 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.882 2.251 3.895 1.00 0.00 H new ATOM 198 N LEU A 14 -8.458 -0.043 5.788 1.00 0.00 N ATOM 199 CA LEU A 14 -8.250 -0.681 7.083 1.00 0.00 C ATOM 200 C LEU A 14 -9.180 -1.873 7.241 1.00 0.00 C ATOM 201 O LEU A 14 -8.808 -2.896 7.814 1.00 0.00 O ATOM 202 CB LEU A 14 -8.439 0.340 8.219 1.00 0.00 C ATOM 203 CG LEU A 14 -9.880 0.705 8.612 1.00 0.00 C ATOM 204 CD1 LEU A 14 -10.423 -0.255 9.663 1.00 0.00 C ATOM 205 CD2 LEU A 14 -9.937 2.137 9.125 1.00 0.00 C ATOM 0 H LEU A 14 -8.801 0.916 5.837 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.226 -1.051 7.136 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.936 -0.046 9.106 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.925 1.258 7.935 1.00 0.00 H new ATOM 0 HG LEU A 14 -10.506 0.621 7.724 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.443 0.028 9.921 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.417 -1.270 9.266 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.797 -0.210 10.554 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.962 2.384 9.400 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.293 2.236 9.999 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.597 2.817 8.344 1.00 0.00 H new ATOM 217 N ARG A 15 -10.381 -1.729 6.709 1.00 0.00 N ATOM 218 CA ARG A 15 -11.382 -2.790 6.767 1.00 0.00 C ATOM 219 C ARG A 15 -10.944 -4.017 5.978 1.00 0.00 C ATOM 220 O ARG A 15 -10.950 -5.133 6.493 1.00 0.00 O ATOM 221 CB ARG A 15 -12.709 -2.290 6.194 1.00 0.00 C ATOM 222 CG ARG A 15 -13.374 -1.200 7.018 1.00 0.00 C ATOM 223 CD ARG A 15 -13.791 -1.696 8.392 1.00 0.00 C ATOM 224 NE ARG A 15 -14.413 -0.627 9.176 1.00 0.00 N ATOM 225 CZ ARG A 15 -15.053 -0.815 10.328 1.00 0.00 C ATOM 226 NH1 ARG A 15 -15.192 -2.032 10.829 1.00 0.00 N ATOM 227 NH2 ARG A 15 -15.567 0.224 10.973 1.00 0.00 N ATOM 0 H ARG A 15 -10.692 -0.885 6.229 1.00 0.00 H new ATOM 0 HA ARG A 15 -11.501 -3.069 7.814 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -12.537 -1.913 5.186 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -13.395 -3.133 6.107 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -12.688 -0.361 7.129 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -14.250 -0.828 6.486 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -14.490 -2.526 8.285 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -12.920 -2.080 8.923 1.00 0.00 H new ATOM 0 HE ARG A 15 -14.352 0.325 8.815 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -14.807 -2.835 10.332 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -15.684 -2.167 11.712 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -15.471 1.163 10.586 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -16.058 0.084 11.856 1.00 0.00 H new ATOM 241 N THR A 16 -10.555 -3.802 4.733 1.00 0.00 N ATOM 242 CA THR A 16 -10.197 -4.896 3.845 1.00 0.00 C ATOM 243 C THR A 16 -8.844 -5.519 4.197 1.00 0.00 C ATOM 244 O THR A 16 -8.674 -6.735 4.115 1.00 0.00 O ATOM 245 CB THR A 16 -10.224 -4.456 2.366 1.00 0.00 C ATOM 246 OG1 THR A 16 -9.821 -5.530 1.519 1.00 0.00 O ATOM 247 CG2 THR A 16 -9.328 -3.260 2.125 1.00 0.00 C ATOM 0 H THR A 16 -10.479 -2.876 4.312 1.00 0.00 H new ATOM 0 HA THR A 16 -10.955 -5.666 3.989 1.00 0.00 H new ATOM 0 HB THR A 16 -11.249 -4.171 2.130 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.950 -5.323 1.120 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.372 -2.978 1.073 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.664 -2.424 2.739 1.00 0.00 H new ATOM 0 HG23 THR A 16 -8.302 -3.515 2.389 1.00 0.00 H new ATOM 255 N LEU A 17 -7.889 -4.684 4.583 1.00 0.00 N ATOM 256 CA LEU A 17 -6.520 -5.133 4.809 1.00 0.00 C ATOM 257 C LEU A 17 -6.420 -6.031 6.042 1.00 0.00 C ATOM 258 O LEU A 17 -5.638 -6.983 6.064 1.00 0.00 O ATOM 259 CB LEU A 17 -5.599 -3.908 4.935 1.00 0.00 C ATOM 260 CG LEU A 17 -4.092 -4.194 5.029 1.00 0.00 C ATOM 261 CD1 LEU A 17 -3.299 -3.030 4.459 1.00 0.00 C ATOM 262 CD2 LEU A 17 -3.669 -4.441 6.471 1.00 0.00 C ATOM 0 H LEU A 17 -8.037 -3.688 4.747 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.201 -5.734 3.957 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.771 -3.261 4.075 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.896 -3.347 5.821 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.886 -5.093 4.448 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.233 -3.246 4.532 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.569 -2.883 3.413 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.525 -2.125 5.023 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.598 -4.641 6.507 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.894 -3.560 7.072 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.212 -5.299 6.867 1.00 0.00 H new ATOM 274 N LYS A 18 -7.221 -5.740 7.057 1.00 0.00 N ATOM 275 CA LYS A 18 -7.152 -6.485 8.309 1.00 0.00 C ATOM 276 C LYS A 18 -7.833 -7.849 8.195 1.00 0.00 C ATOM 277 O LYS A 18 -7.550 -8.753 8.979 1.00 0.00 O ATOM 278 CB LYS A 18 -7.769 -5.686 9.457 1.00 0.00 C ATOM 279 CG LYS A 18 -6.995 -4.428 9.815 1.00 0.00 C ATOM 280 CD LYS A 18 -7.607 -3.732 11.014 1.00 0.00 C ATOM 281 CE LYS A 18 -6.852 -2.462 11.368 1.00 0.00 C ATOM 282 NZ LYS A 18 -7.371 -1.843 12.615 1.00 0.00 N ATOM 0 H LYS A 18 -7.922 -4.999 7.041 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.096 -6.651 8.523 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.789 -5.410 9.188 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.834 -6.325 10.338 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.958 -4.685 10.030 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.985 -3.749 8.963 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.649 -3.490 10.803 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.604 -4.408 11.869 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.793 -2.690 11.488 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.933 -1.750 10.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.831 -0.979 12.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.375 -1.603 12.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.270 -2.514 13.403 1.00 0.00 H new ATOM 296 N SER A 19 -8.729 -7.996 7.228 1.00 0.00 N ATOM 297 CA SER A 19 -9.408 -9.267 7.012 1.00 0.00 C ATOM 298 C SER A 19 -8.799 -10.017 5.823 1.00 0.00 C ATOM 299 O SER A 19 -9.101 -9.720 4.671 1.00 0.00 O ATOM 300 CB SER A 19 -10.904 -9.031 6.784 1.00 0.00 C ATOM 301 OG SER A 19 -11.490 -8.371 7.897 1.00 0.00 O ATOM 0 H SER A 19 -9.002 -7.254 6.583 1.00 0.00 H new ATOM 0 HA SER A 19 -9.278 -9.882 7.902 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.049 -8.433 5.884 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.405 -9.984 6.617 1.00 0.00 H new ATOM 0 HG SER A 19 -12.445 -8.230 7.728 1.00 0.00 H new ATOM 307 N PRO A 20 -7.938 -11.012 6.092 1.00 0.00 N ATOM 308 CA PRO A 20 -7.253 -11.774 5.050 1.00 0.00 C ATOM 309 C PRO A 20 -8.033 -13.010 4.606 1.00 0.00 C ATOM 310 O PRO A 20 -7.530 -13.833 3.839 1.00 0.00 O ATOM 311 CB PRO A 20 -5.964 -12.182 5.752 1.00 0.00 C ATOM 312 CG PRO A 20 -6.357 -12.376 7.181 1.00 0.00 C ATOM 313 CD PRO A 20 -7.541 -11.469 7.437 1.00 0.00 C ATOM 0 HA PRO A 20 -7.115 -11.198 4.135 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -5.554 -13.098 5.326 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -5.198 -11.413 5.653 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -6.619 -13.417 7.372 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -5.530 -12.129 7.846 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.352 -12.002 7.933 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.270 -10.631 8.080 1.00 0.00 H new ATOM 321 N SER A 21 -9.265 -13.124 5.075 1.00 0.00 N ATOM 322 CA SER A 21 -10.084 -14.297 4.808 1.00 0.00 C ATOM 323 C SER A 21 -10.953 -14.104 3.569 1.00 0.00 C ATOM 324 O SER A 21 -12.040 -14.674 3.467 1.00 0.00 O ATOM 325 CB SER A 21 -10.961 -14.592 6.023 1.00 0.00 C ATOM 326 OG SER A 21 -10.168 -14.707 7.191 1.00 0.00 O ATOM 0 H SER A 21 -9.723 -12.414 5.646 1.00 0.00 H new ATOM 0 HA SER A 21 -9.421 -15.141 4.618 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.695 -13.796 6.151 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.517 -15.515 5.862 1.00 0.00 H new ATOM 0 HG SER A 21 -10.745 -14.894 7.961 1.00 0.00 H new ATOM 332 N SER A 22 -10.470 -13.314 2.625 1.00 0.00 N ATOM 333 CA SER A 22 -11.237 -13.004 1.431 1.00 0.00 C ATOM 334 C SER A 22 -10.328 -12.348 0.392 1.00 0.00 C ATOM 335 O SER A 22 -9.360 -11.674 0.751 1.00 0.00 O ATOM 336 CB SER A 22 -12.399 -12.070 1.803 1.00 0.00 C ATOM 337 OG SER A 22 -13.352 -11.965 0.754 1.00 0.00 O ATOM 0 H SER A 22 -9.550 -12.876 2.663 1.00 0.00 H new ATOM 0 HA SER A 22 -11.645 -13.920 1.004 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.889 -12.441 2.703 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.008 -11.080 2.038 1.00 0.00 H new ATOM 0 HG SER A 22 -14.076 -11.364 1.029 1.00 0.00 H new ATOM 343 N PRO A 23 -10.630 -12.566 -0.909 1.00 0.00 N ATOM 344 CA PRO A 23 -9.909 -11.958 -2.046 1.00 0.00 C ATOM 345 C PRO A 23 -9.706 -10.451 -1.909 1.00 0.00 C ATOM 346 O PRO A 23 -8.849 -9.873 -2.580 1.00 0.00 O ATOM 347 CB PRO A 23 -10.813 -12.261 -3.237 1.00 0.00 C ATOM 348 CG PRO A 23 -11.495 -13.528 -2.869 1.00 0.00 C ATOM 349 CD PRO A 23 -11.704 -13.468 -1.381 1.00 0.00 C ATOM 0 HA PRO A 23 -8.899 -12.360 -2.130 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -11.530 -11.458 -3.406 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.237 -12.372 -4.155 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.446 -13.626 -3.393 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.889 -14.391 -3.144 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.691 -13.079 -1.131 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.626 -14.455 -0.926 1.00 0.00 H new ATOM 357 N GLN A 24 -10.510 -9.820 -1.058 1.00 0.00 N ATOM 358 CA GLN A 24 -10.429 -8.381 -0.841 1.00 0.00 C ATOM 359 C GLN A 24 -9.043 -7.988 -0.333 1.00 0.00 C ATOM 360 O GLN A 24 -8.547 -6.908 -0.646 1.00 0.00 O ATOM 361 CB GLN A 24 -11.483 -7.940 0.182 1.00 0.00 C ATOM 362 CG GLN A 24 -12.913 -8.245 -0.226 1.00 0.00 C ATOM 363 CD GLN A 24 -13.913 -7.920 0.870 1.00 0.00 C ATOM 364 OE1 GLN A 24 -14.227 -8.765 1.707 1.00 0.00 O ATOM 365 NE2 GLN A 24 -14.427 -6.700 0.872 1.00 0.00 N ATOM 0 H GLN A 24 -11.229 -10.287 -0.505 1.00 0.00 H new ATOM 0 HA GLN A 24 -10.613 -7.885 -1.794 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -11.276 -8.430 1.134 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -11.385 -6.867 0.348 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -13.162 -7.674 -1.121 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -12.996 -9.300 -0.487 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -14.143 -6.026 0.162 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -15.107 -6.434 1.584 1.00 0.00 H new ATOM 374 N GLN A 25 -8.407 -8.875 0.423 1.00 0.00 N ATOM 375 CA GLN A 25 -7.111 -8.572 1.013 1.00 0.00 C ATOM 376 C GLN A 25 -6.107 -8.201 -0.081 1.00 0.00 C ATOM 377 O GLN A 25 -5.512 -7.128 -0.043 1.00 0.00 O ATOM 378 CB GLN A 25 -6.613 -9.762 1.843 1.00 0.00 C ATOM 379 CG GLN A 25 -5.605 -9.397 2.931 1.00 0.00 C ATOM 380 CD GLN A 25 -4.186 -9.214 2.420 1.00 0.00 C ATOM 381 OE1 GLN A 25 -3.411 -10.167 2.362 1.00 0.00 O ATOM 382 NE2 GLN A 25 -3.825 -7.992 2.067 1.00 0.00 N ATOM 0 H GLN A 25 -8.766 -9.805 0.640 1.00 0.00 H new ATOM 0 HA GLN A 25 -7.215 -7.717 1.681 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -7.470 -10.249 2.308 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.157 -10.491 1.173 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.927 -8.476 3.417 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.609 -10.177 3.692 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.494 -7.225 2.128 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.877 -7.817 1.734 1.00 0.00 H new ATOM 391 N GLN A 26 -5.925 -9.077 -1.060 1.00 0.00 N ATOM 392 CA GLN A 26 -5.020 -8.779 -2.162 1.00 0.00 C ATOM 393 C GLN A 26 -5.645 -7.795 -3.160 1.00 0.00 C ATOM 394 O GLN A 26 -5.042 -6.778 -3.499 1.00 0.00 O ATOM 395 CB GLN A 26 -4.594 -10.067 -2.883 1.00 0.00 C ATOM 396 CG GLN A 26 -5.756 -10.903 -3.407 1.00 0.00 C ATOM 397 CD GLN A 26 -5.312 -12.106 -4.217 1.00 0.00 C ATOM 398 OE1 GLN A 26 -4.148 -12.647 -3.895 1.00 0.00 O flip ATOM 399 NE2 GLN A 26 -6.013 -12.545 -5.126 1.00 0.00 N flip ATOM 0 H GLN A 26 -6.384 -9.986 -1.115 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.136 -8.306 -1.735 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.944 -9.805 -3.718 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.003 -10.675 -2.198 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -6.359 -11.243 -2.565 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -6.397 -10.274 -4.025 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.904 -12.099 -5.343 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.703 -13.355 -5.663 1.00 0.00 H new ATOM 408 N GLN A 27 -6.860 -8.093 -3.609 1.00 0.00 N ATOM 409 CA GLN A 27 -7.484 -7.348 -4.699 1.00 0.00 C ATOM 410 C GLN A 27 -7.900 -5.934 -4.301 1.00 0.00 C ATOM 411 O GLN A 27 -7.553 -4.967 -4.979 1.00 0.00 O ATOM 412 CB GLN A 27 -8.682 -8.115 -5.261 1.00 0.00 C ATOM 413 CG GLN A 27 -8.313 -9.469 -5.862 1.00 0.00 C ATOM 414 CD GLN A 27 -7.322 -9.374 -7.015 1.00 0.00 C ATOM 415 OE1 GLN A 27 -6.471 -8.486 -7.067 1.00 0.00 O ATOM 416 NE2 GLN A 27 -7.420 -10.302 -7.953 1.00 0.00 N ATOM 0 H GLN A 27 -7.434 -8.848 -3.234 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.724 -7.245 -5.473 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.411 -8.267 -4.465 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.166 -7.507 -6.026 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.890 -10.101 -5.081 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.220 -9.961 -6.213 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.136 -11.025 -7.882 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.780 -10.294 -8.747 1.00 0.00 H new ATOM 425 N GLN A 28 -8.648 -5.814 -3.211 1.00 0.00 N ATOM 426 CA GLN A 28 -9.224 -4.531 -2.823 1.00 0.00 C ATOM 427 C GLN A 28 -8.140 -3.549 -2.401 1.00 0.00 C ATOM 428 O GLN A 28 -8.162 -2.390 -2.810 1.00 0.00 O ATOM 429 CB GLN A 28 -10.251 -4.712 -1.702 1.00 0.00 C ATOM 430 CG GLN A 28 -10.852 -3.414 -1.174 1.00 0.00 C ATOM 431 CD GLN A 28 -11.834 -2.749 -2.126 1.00 0.00 C ATOM 432 OE1 GLN A 28 -11.627 -2.901 -3.423 1.00 0.00 O flip ATOM 433 NE2 GLN A 28 -12.779 -2.096 -1.690 1.00 0.00 N flip ATOM 0 H GLN A 28 -8.870 -6.586 -2.582 1.00 0.00 H new ATOM 0 HA GLN A 28 -9.734 -4.118 -3.693 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -11.058 -5.349 -2.066 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -9.777 -5.240 -0.875 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -11.359 -3.619 -0.231 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -10.044 -2.715 -0.956 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -12.910 -1.998 -0.683 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -13.432 -1.652 -2.335 1.00 0.00 H new ATOM 442 N VAL A 29 -7.192 -4.015 -1.597 1.00 0.00 N ATOM 443 CA VAL A 29 -6.077 -3.174 -1.176 1.00 0.00 C ATOM 444 C VAL A 29 -5.295 -2.685 -2.390 1.00 0.00 C ATOM 445 O VAL A 29 -4.971 -1.501 -2.494 1.00 0.00 O ATOM 446 CB VAL A 29 -5.128 -3.915 -0.206 1.00 0.00 C ATOM 447 CG1 VAL A 29 -3.920 -3.053 0.130 1.00 0.00 C ATOM 448 CG2 VAL A 29 -5.873 -4.310 1.061 1.00 0.00 C ATOM 0 H VAL A 29 -7.172 -4.965 -1.225 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.498 -2.320 -0.645 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.772 -4.821 -0.697 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.266 -3.594 0.814 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.375 -2.818 -0.784 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.253 -2.128 0.602 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.193 -4.831 1.735 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.256 -3.415 1.552 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.704 -4.967 0.805 1.00 0.00 H new ATOM 458 N LEU A 30 -5.028 -3.598 -3.319 1.00 0.00 N ATOM 459 CA LEU A 30 -4.326 -3.255 -4.549 1.00 0.00 C ATOM 460 C LEU A 30 -5.047 -2.127 -5.279 1.00 0.00 C ATOM 461 O LEU A 30 -4.430 -1.156 -5.723 1.00 0.00 O ATOM 462 CB LEU A 30 -4.222 -4.481 -5.461 1.00 0.00 C ATOM 463 CG LEU A 30 -3.438 -4.270 -6.762 1.00 0.00 C ATOM 464 CD1 LEU A 30 -1.977 -3.976 -6.463 1.00 0.00 C ATOM 465 CD2 LEU A 30 -3.568 -5.489 -7.665 1.00 0.00 C ATOM 0 H LEU A 30 -5.288 -4.581 -3.242 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.322 -2.920 -4.288 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.753 -5.290 -4.901 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.230 -4.811 -5.714 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.859 -3.410 -7.284 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.437 -3.829 -7.398 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.904 -3.073 -5.856 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.541 -4.814 -5.920 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.006 -5.323 -8.584 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.173 -6.366 -7.152 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.618 -5.652 -7.907 1.00 0.00 H new ATOM 477 N ASN A 31 -6.360 -2.265 -5.388 1.00 0.00 N ATOM 478 CA ASN A 31 -7.183 -1.293 -6.091 1.00 0.00 C ATOM 479 C ASN A 31 -7.252 0.049 -5.360 1.00 0.00 C ATOM 480 O ASN A 31 -7.148 1.105 -5.989 1.00 0.00 O ATOM 481 CB ASN A 31 -8.592 -1.851 -6.303 1.00 0.00 C ATOM 482 CG ASN A 31 -9.535 -0.847 -6.944 1.00 0.00 C ATOM 483 OD1 ASN A 31 -10.244 -0.113 -6.253 1.00 0.00 O ATOM 484 ND2 ASN A 31 -9.546 -0.802 -8.266 1.00 0.00 N ATOM 0 H ASN A 31 -6.882 -3.048 -4.995 1.00 0.00 H new ATOM 0 HA ASN A 31 -6.713 -1.110 -7.057 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.535 -2.740 -6.931 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -9.001 -2.165 -5.343 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -10.157 -0.143 -8.749 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -8.944 -1.427 -8.803 1.00 0.00 H new ATOM 491 N ILE A 32 -7.434 0.013 -4.037 1.00 0.00 N ATOM 492 CA ILE A 32 -7.584 1.239 -3.263 1.00 0.00 C ATOM 493 C ILE A 32 -6.326 2.082 -3.345 1.00 0.00 C ATOM 494 O ILE A 32 -6.390 3.273 -3.656 1.00 0.00 O ATOM 495 CB ILE A 32 -7.899 0.969 -1.774 1.00 0.00 C ATOM 496 CG1 ILE A 32 -9.242 0.247 -1.637 1.00 0.00 C ATOM 497 CG2 ILE A 32 -7.918 2.285 -0.997 1.00 0.00 C ATOM 498 CD1 ILE A 32 -9.597 -0.120 -0.214 1.00 0.00 C ATOM 0 H ILE A 32 -7.480 -0.845 -3.488 1.00 0.00 H new ATOM 0 HA ILE A 32 -8.428 1.772 -3.701 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.120 0.329 -1.359 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -10.028 0.882 -2.045 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.219 -0.660 -2.241 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.141 2.085 0.051 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -6.944 2.768 -1.075 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.683 2.941 -1.412 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.561 -0.628 -0.199 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -8.832 -0.782 0.193 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -9.654 0.784 0.392 1.00 0.00 H new ATOM 510 N LEU A 33 -5.186 1.454 -3.089 1.00 0.00 N ATOM 511 CA LEU A 33 -3.918 2.155 -3.073 1.00 0.00 C ATOM 512 C LEU A 33 -3.651 2.883 -4.390 1.00 0.00 C ATOM 513 O LEU A 33 -2.993 3.900 -4.404 1.00 0.00 O ATOM 514 CB LEU A 33 -2.765 1.215 -2.738 1.00 0.00 C ATOM 515 CG LEU A 33 -2.462 0.977 -1.240 1.00 0.00 C ATOM 516 CD1 LEU A 33 -2.012 2.248 -0.540 1.00 0.00 C ATOM 517 CD2 LEU A 33 -3.652 0.386 -0.518 1.00 0.00 C ATOM 0 H LEU A 33 -5.118 0.456 -2.889 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.985 2.907 -2.286 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.971 0.249 -3.199 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.862 1.606 -3.208 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.641 0.260 -1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.810 2.034 0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.105 2.623 -1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.797 3.001 -0.612 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.401 0.233 0.532 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.499 1.068 -0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.915 -0.570 -0.971 1.00 0.00 H new ATOM 529 N LYS A 34 -4.143 2.364 -5.496 1.00 0.00 N ATOM 530 CA LYS A 34 -3.882 2.986 -6.788 1.00 0.00 C ATOM 531 C LYS A 34 -4.629 4.324 -6.964 1.00 0.00 C ATOM 532 O LYS A 34 -4.164 5.208 -7.683 1.00 0.00 O ATOM 533 CB LYS A 34 -4.257 2.019 -7.914 1.00 0.00 C ATOM 534 CG LYS A 34 -3.865 2.507 -9.298 1.00 0.00 C ATOM 535 CD LYS A 34 -4.304 1.532 -10.378 1.00 0.00 C ATOM 536 CE LYS A 34 -3.916 2.027 -11.759 1.00 0.00 C ATOM 537 NZ LYS A 34 -4.386 1.114 -12.835 1.00 0.00 N ATOM 0 H LYS A 34 -4.720 1.523 -5.533 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.816 3.210 -6.831 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.778 1.058 -7.729 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.333 1.849 -7.890 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.316 3.482 -9.482 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.784 2.641 -9.345 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.850 0.558 -10.198 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.384 1.394 -10.329 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.336 3.020 -11.918 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.832 2.126 -11.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.099 1.491 -13.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.966 0.172 -12.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.423 1.039 -12.798 1.00 0.00 H new ATOM 551 N SER A 35 -5.760 4.486 -6.285 1.00 0.00 N ATOM 552 CA SER A 35 -6.680 5.590 -6.585 1.00 0.00 C ATOM 553 C SER A 35 -6.262 6.936 -5.966 1.00 0.00 C ATOM 554 O SER A 35 -6.586 7.996 -6.507 1.00 0.00 O ATOM 555 CB SER A 35 -8.090 5.224 -6.115 1.00 0.00 C ATOM 556 OG SER A 35 -8.132 5.025 -4.711 1.00 0.00 O ATOM 0 H SER A 35 -6.065 3.874 -5.528 1.00 0.00 H new ATOM 0 HA SER A 35 -6.653 5.728 -7.666 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.785 6.017 -6.393 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.421 4.318 -6.623 1.00 0.00 H new ATOM 0 HG SER A 35 -7.609 4.230 -4.478 1.00 0.00 H new ATOM 562 N ASN A 36 -5.537 6.900 -4.858 1.00 0.00 N ATOM 563 CA ASN A 36 -5.267 8.116 -4.062 1.00 0.00 C ATOM 564 C ASN A 36 -4.198 7.813 -3.007 1.00 0.00 C ATOM 565 O ASN A 36 -3.267 8.588 -2.809 1.00 0.00 O ATOM 566 CB ASN A 36 -6.557 8.619 -3.396 1.00 0.00 C ATOM 567 CG ASN A 36 -6.408 9.986 -2.744 1.00 0.00 C ATOM 568 OD1 ASN A 36 -7.064 10.283 -1.746 1.00 0.00 O ATOM 569 ND2 ASN A 36 -5.554 10.834 -3.305 1.00 0.00 N ATOM 0 H ASN A 36 -5.120 6.049 -4.480 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.899 8.901 -4.723 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.349 8.666 -4.144 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.873 7.898 -2.642 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.425 11.765 -2.909 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.026 10.554 -4.132 1.00 0.00 H new ATOM 576 N PRO A 37 -4.345 6.661 -2.324 1.00 0.00 N ATOM 577 CA PRO A 37 -3.262 5.919 -1.644 1.00 0.00 C ATOM 578 C PRO A 37 -1.999 5.716 -2.490 1.00 0.00 C ATOM 579 O PRO A 37 -1.080 5.026 -2.055 1.00 0.00 O ATOM 580 CB PRO A 37 -3.926 4.615 -1.247 1.00 0.00 C ATOM 581 CG PRO A 37 -5.331 4.990 -1.000 1.00 0.00 C ATOM 582 CD PRO A 37 -5.650 5.992 -2.066 1.00 0.00 C ATOM 0 HA PRO A 37 -2.868 6.476 -0.793 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.845 3.869 -2.038 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.465 4.187 -0.357 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.989 4.123 -1.062 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.458 5.416 -0.005 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.038 5.511 -2.964 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.406 6.703 -1.733 1.00 0.00 H new ATOM 590 N GLN A 38 -2.022 6.246 -3.724 1.00 0.00 N ATOM 591 CA GLN A 38 -1.022 6.032 -4.786 1.00 0.00 C ATOM 592 C GLN A 38 0.425 6.116 -4.295 1.00 0.00 C ATOM 593 O GLN A 38 1.351 5.813 -5.040 1.00 0.00 O ATOM 594 CB GLN A 38 -1.232 7.056 -5.901 1.00 0.00 C ATOM 595 CG GLN A 38 -1.339 8.489 -5.401 1.00 0.00 C ATOM 596 CD GLN A 38 -1.504 9.489 -6.525 1.00 0.00 C ATOM 597 OE1 GLN A 38 -2.620 9.780 -6.957 1.00 0.00 O ATOM 598 NE2 GLN A 38 -0.396 10.035 -6.996 1.00 0.00 N ATOM 0 H GLN A 38 -2.775 6.866 -4.024 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.174 5.016 -5.150 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.404 6.987 -6.606 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.140 6.803 -6.449 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.187 8.570 -4.721 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.446 8.737 -4.828 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.509 9.766 -6.610 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.446 10.725 -7.745 1.00 0.00 H new ATOM 607 N LEU A 39 0.631 6.598 -3.090 1.00 0.00 N ATOM 608 CA LEU A 39 1.918 6.416 -2.429 1.00 0.00 C ATOM 609 C LEU A 39 2.341 4.929 -2.538 1.00 0.00 C ATOM 610 O LEU A 39 3.524 4.633 -2.709 1.00 0.00 O ATOM 611 CB LEU A 39 1.788 6.829 -0.950 1.00 0.00 C ATOM 612 CG LEU A 39 3.095 7.049 -0.170 1.00 0.00 C ATOM 613 CD1 LEU A 39 3.733 5.729 0.233 1.00 0.00 C ATOM 614 CD2 LEU A 39 4.067 7.889 -0.983 1.00 0.00 C ATOM 0 H LEU A 39 -0.062 7.114 -2.548 1.00 0.00 H new ATOM 0 HA LEU A 39 2.677 7.036 -2.906 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.207 7.750 -0.905 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.210 6.063 -0.434 1.00 0.00 H new ATOM 0 HG LEU A 39 2.849 7.589 0.744 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.654 5.923 0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.044 5.170 0.866 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.959 5.146 -0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.986 8.034 -0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.295 7.378 -1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.617 8.858 -1.200 1.00 0.00 H new ATOM 626 N MET A 40 1.376 3.994 -2.487 1.00 0.00 N ATOM 627 CA MET A 40 1.684 2.578 -2.734 1.00 0.00 C ATOM 628 C MET A 40 1.977 2.339 -4.203 1.00 0.00 C ATOM 629 O MET A 40 2.722 1.427 -4.542 1.00 0.00 O ATOM 630 CB MET A 40 0.574 1.611 -2.318 1.00 0.00 C ATOM 631 CG MET A 40 0.959 0.149 -2.567 1.00 0.00 C ATOM 632 SD MET A 40 -0.363 -1.051 -2.308 1.00 0.00 S ATOM 633 CE MET A 40 -1.064 -1.158 -3.959 1.00 0.00 C ATOM 0 H MET A 40 0.396 4.189 -2.281 1.00 0.00 H new ATOM 0 HA MET A 40 2.556 2.374 -2.113 1.00 0.00 H new ATOM 0 HB2 MET A 40 0.349 1.751 -1.261 1.00 0.00 H new ATOM 0 HB3 MET A 40 -0.336 1.845 -2.871 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.318 0.054 -3.592 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.793 -0.107 -1.913 1.00 0.00 H new ATOM 0 HE1 MET A 40 -2.152 -1.177 -3.892 1.00 0.00 H new ATOM 0 HE2 MET A 40 -0.752 -0.293 -4.544 1.00 0.00 H new ATOM 0 HE3 MET A 40 -0.714 -2.069 -4.444 1.00 0.00 H new ATOM 643 N ALA A 41 1.369 3.122 -5.078 1.00 0.00 N ATOM 644 CA ALA A 41 1.667 2.985 -6.507 1.00 0.00 C ATOM 645 C ALA A 41 3.177 3.116 -6.734 1.00 0.00 C ATOM 646 O ALA A 41 3.760 2.406 -7.559 1.00 0.00 O ATOM 647 CB ALA A 41 0.900 4.002 -7.343 1.00 0.00 C ATOM 0 H ALA A 41 0.685 3.841 -4.842 1.00 0.00 H new ATOM 0 HA ALA A 41 1.342 1.997 -6.831 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.148 3.868 -8.396 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.171 3.856 -7.201 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.174 5.010 -7.031 1.00 0.00 H new ATOM 653 N ALA A 42 3.801 4.025 -5.987 1.00 0.00 N ATOM 654 CA ALA A 42 5.258 4.133 -5.951 1.00 0.00 C ATOM 655 C ALA A 42 5.871 2.941 -5.209 1.00 0.00 C ATOM 656 O ALA A 42 6.862 2.364 -5.648 1.00 0.00 O ATOM 657 CB ALA A 42 5.675 5.438 -5.294 1.00 0.00 C ATOM 0 H ALA A 42 3.317 4.701 -5.396 1.00 0.00 H new ATOM 0 HA ALA A 42 5.628 4.125 -6.976 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.763 5.504 -5.274 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.271 6.276 -5.861 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.291 5.471 -4.274 1.00 0.00 H new ATOM 663 N PHE A 43 5.256 2.590 -4.077 1.00 0.00 N ATOM 664 CA PHE A 43 5.670 1.449 -3.248 1.00 0.00 C ATOM 665 C PHE A 43 5.831 0.172 -4.084 1.00 0.00 C ATOM 666 O PHE A 43 6.813 -0.553 -3.932 1.00 0.00 O ATOM 667 CB PHE A 43 4.633 1.250 -2.125 1.00 0.00 C ATOM 668 CG PHE A 43 4.769 -0.013 -1.311 1.00 0.00 C ATOM 669 CD1 PHE A 43 6.008 -0.477 -0.899 1.00 0.00 C ATOM 670 CD2 PHE A 43 3.634 -0.726 -0.940 1.00 0.00 C ATOM 671 CE1 PHE A 43 6.114 -1.627 -0.138 1.00 0.00 C ATOM 672 CE2 PHE A 43 3.733 -1.875 -0.183 1.00 0.00 C ATOM 673 CZ PHE A 43 4.976 -2.327 0.219 1.00 0.00 C ATOM 0 H PHE A 43 4.450 3.092 -3.705 1.00 0.00 H new ATOM 0 HA PHE A 43 6.646 1.661 -2.811 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.693 2.102 -1.448 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.638 1.266 -2.570 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.900 0.065 -1.175 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.661 -0.375 -1.249 1.00 0.00 H new ATOM 0 HE1 PHE A 43 7.085 -1.978 0.177 1.00 0.00 H new ATOM 0 HE2 PHE A 43 2.843 -2.419 0.095 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.058 -3.226 0.811 1.00 0.00 H new ATOM 683 N ILE A 44 4.876 -0.082 -4.973 1.00 0.00 N ATOM 684 CA ILE A 44 4.921 -1.256 -5.844 1.00 0.00 C ATOM 685 C ILE A 44 6.150 -1.221 -6.748 1.00 0.00 C ATOM 686 O ILE A 44 6.797 -2.242 -6.971 1.00 0.00 O ATOM 687 CB ILE A 44 3.653 -1.356 -6.726 1.00 0.00 C ATOM 688 CG1 ILE A 44 2.400 -1.471 -5.858 1.00 0.00 C ATOM 689 CG2 ILE A 44 3.747 -2.543 -7.678 1.00 0.00 C ATOM 690 CD1 ILE A 44 1.114 -1.524 -6.658 1.00 0.00 C ATOM 0 H ILE A 44 4.058 0.511 -5.111 1.00 0.00 H new ATOM 0 HA ILE A 44 4.972 -2.129 -5.194 1.00 0.00 H new ATOM 0 HB ILE A 44 3.582 -0.444 -7.319 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.474 -2.369 -5.244 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.360 -0.621 -5.177 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.845 -2.593 -8.287 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.616 -2.423 -8.325 1.00 0.00 H new ATOM 0 HG23 ILE A 44 3.848 -3.463 -7.103 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.266 -1.605 -5.978 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.017 -0.615 -7.252 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.133 -2.390 -7.320 1.00 0.00 H new ATOM 702 N LYS A 45 6.469 -0.040 -7.258 1.00 0.00 N ATOM 703 CA LYS A 45 7.593 0.123 -8.173 1.00 0.00 C ATOM 704 C LYS A 45 8.925 -0.026 -7.442 1.00 0.00 C ATOM 705 O LYS A 45 9.925 -0.435 -8.031 1.00 0.00 O ATOM 706 CB LYS A 45 7.515 1.488 -8.856 1.00 0.00 C ATOM 707 CG LYS A 45 6.230 1.700 -9.637 1.00 0.00 C ATOM 708 CD LYS A 45 6.137 3.114 -10.183 1.00 0.00 C ATOM 709 CE LYS A 45 4.835 3.333 -10.933 1.00 0.00 C ATOM 710 NZ LYS A 45 4.681 4.743 -11.374 1.00 0.00 N ATOM 0 H LYS A 45 5.964 0.823 -7.054 1.00 0.00 H new ATOM 0 HA LYS A 45 7.535 -0.661 -8.928 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.606 2.269 -8.101 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.364 1.597 -9.531 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.182 0.987 -10.460 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.374 1.501 -8.992 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.211 3.828 -9.363 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.979 3.305 -10.849 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.801 2.675 -11.801 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.997 3.059 -10.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.780 4.851 -11.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.688 5.369 -10.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.467 4.997 -12.006 1.00 0.00 H new ATOM 724 N GLN A 46 8.935 0.324 -6.163 1.00 0.00 N ATOM 725 CA GLN A 46 10.145 0.225 -5.356 1.00 0.00 C ATOM 726 C GLN A 46 10.334 -1.196 -4.825 1.00 0.00 C ATOM 727 O GLN A 46 11.444 -1.726 -4.822 1.00 0.00 O ATOM 728 CB GLN A 46 10.086 1.221 -4.191 1.00 0.00 C ATOM 729 CG GLN A 46 11.374 1.306 -3.380 1.00 0.00 C ATOM 730 CD GLN A 46 12.541 1.851 -4.181 1.00 0.00 C ATOM 731 OE1 GLN A 46 13.274 1.105 -4.829 1.00 0.00 O ATOM 732 NE2 GLN A 46 12.737 3.160 -4.127 1.00 0.00 N ATOM 0 H GLN A 46 8.120 0.679 -5.662 1.00 0.00 H new ATOM 0 HA GLN A 46 10.998 0.468 -5.990 1.00 0.00 H new ATOM 0 HB2 GLN A 46 9.851 2.210 -4.584 1.00 0.00 H new ATOM 0 HB3 GLN A 46 9.269 0.939 -3.527 1.00 0.00 H new ATOM 0 HG2 GLN A 46 11.208 1.942 -2.510 1.00 0.00 H new ATOM 0 HG3 GLN A 46 11.628 0.314 -3.006 1.00 0.00 H new ATOM 0 HE21 GLN A 46 12.108 3.748 -3.579 1.00 0.00 H new ATOM 0 HE22 GLN A 46 13.516 3.580 -4.633 1.00 0.00 H new ATOM 741 N ARG A 47 9.225 -1.793 -4.377 1.00 0.00 N ATOM 742 CA ARG A 47 9.207 -3.154 -3.822 1.00 0.00 C ATOM 743 C ARG A 47 10.021 -3.243 -2.538 1.00 0.00 C ATOM 744 O ARG A 47 10.374 -4.340 -2.096 1.00 0.00 O ATOM 745 CB ARG A 47 9.728 -4.181 -4.832 1.00 0.00 C ATOM 746 CG ARG A 47 8.898 -4.271 -6.100 1.00 0.00 C ATOM 747 CD ARG A 47 9.347 -5.423 -6.982 1.00 0.00 C ATOM 748 NE ARG A 47 9.120 -6.720 -6.343 1.00 0.00 N ATOM 749 CZ ARG A 47 9.108 -7.879 -6.998 1.00 0.00 C ATOM 750 NH1 ARG A 47 9.303 -7.908 -8.312 1.00 0.00 N ATOM 751 NH2 ARG A 47 8.910 -9.010 -6.336 1.00 0.00 N ATOM 0 H ARG A 47 8.309 -1.345 -4.388 1.00 0.00 H new ATOM 0 HA ARG A 47 8.166 -3.385 -3.595 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.754 -3.926 -5.098 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.756 -5.162 -4.357 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.847 -4.400 -5.839 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.977 -3.336 -6.654 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.809 -5.386 -7.929 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.407 -5.312 -7.212 1.00 0.00 H new ATOM 0 HE ARG A 47 8.962 -6.737 -5.336 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.463 -7.040 -8.823 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.293 -8.798 -8.810 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.767 -8.992 -5.326 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.900 -9.899 -6.836 1.00 0.00 H new ATOM 765 N THR A 48 10.276 -2.084 -1.932 1.00 0.00 N ATOM 766 CA THR A 48 11.141 -1.983 -0.763 1.00 0.00 C ATOM 767 C THR A 48 12.602 -2.242 -1.145 1.00 0.00 C ATOM 768 O THR A 48 12.958 -3.323 -1.621 1.00 0.00 O ATOM 769 CB THR A 48 10.693 -2.938 0.363 1.00 0.00 C ATOM 770 OG1 THR A 48 9.347 -2.620 0.750 1.00 0.00 O ATOM 771 CG2 THR A 48 11.608 -2.828 1.575 1.00 0.00 C ATOM 0 H THR A 48 9.888 -1.192 -2.239 1.00 0.00 H new ATOM 0 HA THR A 48 11.058 -0.965 -0.381 1.00 0.00 H new ATOM 0 HB THR A 48 10.744 -3.960 -0.013 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.060 -3.227 1.464 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.267 -3.513 2.352 1.00 0.00 H new ATOM 0 HG22 THR A 48 12.627 -3.085 1.286 1.00 0.00 H new ATOM 0 HG23 THR A 48 11.586 -1.807 1.956 1.00 0.00 H new ATOM 779 N ALA A 49 13.438 -1.225 -0.943 1.00 0.00 N ATOM 780 CA ALA A 49 14.842 -1.268 -1.344 1.00 0.00 C ATOM 781 C ALA A 49 15.646 -2.265 -0.514 1.00 0.00 C ATOM 782 O ALA A 49 16.317 -1.896 0.450 1.00 0.00 O ATOM 783 CB ALA A 49 15.453 0.122 -1.240 1.00 0.00 C ATOM 0 H ALA A 49 13.161 -0.350 -0.498 1.00 0.00 H new ATOM 0 HA ALA A 49 14.880 -1.606 -2.380 1.00 0.00 H new ATOM 0 HB1 ALA A 49 16.500 0.083 -1.540 1.00 0.00 H new ATOM 0 HB2 ALA A 49 14.913 0.807 -1.894 1.00 0.00 H new ATOM 0 HB3 ALA A 49 15.384 0.474 -0.211 1.00 0.00 H new ATOM 789 N LYS A 50 15.567 -3.530 -0.895 1.00 0.00 N ATOM 790 CA LYS A 50 16.318 -4.581 -0.227 1.00 0.00 C ATOM 791 C LYS A 50 17.644 -4.832 -0.934 1.00 0.00 C ATOM 792 O LYS A 50 18.626 -5.240 -0.312 1.00 0.00 O ATOM 793 CB LYS A 50 15.502 -5.875 -0.191 1.00 0.00 C ATOM 794 CG LYS A 50 14.199 -5.756 0.583 1.00 0.00 C ATOM 795 CD LYS A 50 13.388 -7.042 0.517 1.00 0.00 C ATOM 796 CE LYS A 50 14.129 -8.216 1.140 1.00 0.00 C ATOM 797 NZ LYS A 50 14.407 -8.008 2.587 1.00 0.00 N ATOM 0 H LYS A 50 14.987 -3.855 -1.668 1.00 0.00 H new ATOM 0 HA LYS A 50 16.521 -4.255 0.793 1.00 0.00 H new ATOM 0 HB2 LYS A 50 15.280 -6.182 -1.213 1.00 0.00 H new ATOM 0 HB3 LYS A 50 16.108 -6.664 0.255 1.00 0.00 H new ATOM 0 HG2 LYS A 50 14.414 -5.514 1.624 1.00 0.00 H new ATOM 0 HG3 LYS A 50 13.610 -4.933 0.180 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.438 -6.898 1.032 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.155 -7.271 -0.523 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.539 -9.123 1.013 1.00 0.00 H new ATOM 0 HE3 LYS A 50 15.069 -8.371 0.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.773 -8.889 3.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 15.113 -7.253 2.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 13.529 -7.736 3.074 1.00 0.00 H new ATOM 811 N TYR A 51 17.671 -4.586 -2.234 1.00 0.00 N ATOM 812 CA TYR A 51 18.855 -4.856 -3.037 1.00 0.00 C ATOM 813 C TYR A 51 19.026 -3.812 -4.134 1.00 0.00 C ATOM 814 O TYR A 51 18.076 -3.107 -4.489 1.00 0.00 O ATOM 815 CB TYR A 51 18.784 -6.263 -3.649 1.00 0.00 C ATOM 816 CG TYR A 51 17.460 -6.588 -4.307 1.00 0.00 C ATOM 817 CD1 TYR A 51 17.122 -6.057 -5.548 1.00 0.00 C ATOM 818 CD2 TYR A 51 16.546 -7.431 -3.688 1.00 0.00 C ATOM 819 CE1 TYR A 51 15.915 -6.355 -6.147 1.00 0.00 C ATOM 820 CE2 TYR A 51 15.336 -7.734 -4.281 1.00 0.00 C ATOM 821 CZ TYR A 51 15.024 -7.193 -5.511 1.00 0.00 C ATOM 822 OH TYR A 51 13.820 -7.490 -6.106 1.00 0.00 O ATOM 0 H TYR A 51 16.886 -4.199 -2.757 1.00 0.00 H new ATOM 0 HA TYR A 51 19.722 -4.803 -2.379 1.00 0.00 H new ATOM 0 HB2 TYR A 51 19.579 -6.366 -4.388 1.00 0.00 H new ATOM 0 HB3 TYR A 51 18.978 -6.997 -2.867 1.00 0.00 H new ATOM 0 HD1 TYR A 51 17.816 -5.400 -6.051 1.00 0.00 H new ATOM 0 HD2 TYR A 51 16.786 -7.857 -2.725 1.00 0.00 H new ATOM 0 HE1 TYR A 51 15.669 -5.933 -7.110 1.00 0.00 H new ATOM 0 HE2 TYR A 51 14.638 -8.391 -3.784 1.00 0.00 H new ATOM 0 HH TYR A 51 13.310 -8.094 -5.528 1.00 0.00 H new ATOM 832 N VAL A 52 20.247 -3.742 -4.665 1.00 0.00 N ATOM 833 CA VAL A 52 20.613 -2.819 -5.739 1.00 0.00 C ATOM 834 C VAL A 52 20.562 -1.358 -5.278 1.00 0.00 C ATOM 835 O VAL A 52 21.590 -0.765 -4.945 1.00 0.00 O ATOM 836 CB VAL A 52 19.729 -3.012 -6.994 1.00 0.00 C ATOM 837 CG1 VAL A 52 20.167 -2.076 -8.106 1.00 0.00 C ATOM 838 CG2 VAL A 52 19.780 -4.459 -7.465 1.00 0.00 C ATOM 0 H VAL A 52 21.019 -4.333 -4.357 1.00 0.00 H new ATOM 0 HA VAL A 52 21.642 -3.057 -6.008 1.00 0.00 H new ATOM 0 HB VAL A 52 18.700 -2.771 -6.728 1.00 0.00 H new ATOM 0 HG11 VAL A 52 19.533 -2.227 -8.980 1.00 0.00 H new ATOM 0 HG12 VAL A 52 20.079 -1.043 -7.768 1.00 0.00 H new ATOM 0 HG13 VAL A 52 21.204 -2.284 -8.370 1.00 0.00 H new ATOM 0 HG21 VAL A 52 19.152 -4.576 -8.348 1.00 0.00 H new ATOM 0 HG22 VAL A 52 20.808 -4.725 -7.712 1.00 0.00 H new ATOM 0 HG23 VAL A 52 19.416 -5.113 -6.672 1.00 0.00 H new ATOM 848 N ALA A 53 19.368 -0.787 -5.234 1.00 0.00 N ATOM 849 CA ALA A 53 19.203 0.605 -4.852 1.00 0.00 C ATOM 850 C ALA A 53 18.994 0.722 -3.353 1.00 0.00 C ATOM 851 O ALA A 53 17.978 1.241 -2.892 1.00 0.00 O ATOM 852 CB ALA A 53 18.041 1.231 -5.606 1.00 0.00 C ATOM 0 H ALA A 53 18.497 -1.269 -5.459 1.00 0.00 H new ATOM 0 HA ALA A 53 20.112 1.146 -5.115 1.00 0.00 H new ATOM 0 HB1 ALA A 53 17.933 2.274 -5.307 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.232 1.179 -6.678 1.00 0.00 H new ATOM 0 HB3 ALA A 53 17.123 0.690 -5.375 1.00 0.00 H new ATOM 858 N ASN A 54 19.969 0.231 -2.601 1.00 0.00 N ATOM 859 CA ASN A 54 19.900 0.240 -1.146 1.00 0.00 C ATOM 860 C ASN A 54 19.884 1.665 -0.618 1.00 0.00 C ATOM 861 O ASN A 54 19.258 1.951 0.403 1.00 0.00 O ATOM 862 CB ASN A 54 21.072 -0.537 -0.543 1.00 0.00 C ATOM 863 CG ASN A 54 21.036 -2.008 -0.905 1.00 0.00 C ATOM 864 OD1 ASN A 54 21.605 -2.425 -1.914 1.00 0.00 O ATOM 865 ND2 ASN A 54 20.368 -2.805 -0.086 1.00 0.00 N ATOM 0 H ASN A 54 20.823 -0.181 -2.977 1.00 0.00 H new ATOM 0 HA ASN A 54 18.973 -0.249 -0.849 1.00 0.00 H new ATOM 0 HB2 ASN A 54 22.010 -0.103 -0.890 1.00 0.00 H new ATOM 0 HB3 ASN A 54 21.055 -0.432 0.542 1.00 0.00 H new ATOM 0 HD21 ASN A 54 20.311 -3.805 -0.281 1.00 0.00 H new ATOM 0 HD22 ASN A 54 19.910 -2.420 0.740 1.00 0.00 H new ATOM 872 N GLN A 55 20.574 2.555 -1.317 1.00 0.00 N ATOM 873 CA GLN A 55 20.535 3.969 -0.982 1.00 0.00 C ATOM 874 C GLN A 55 19.307 4.621 -1.614 1.00 0.00 C ATOM 875 O GLN A 55 19.103 4.546 -2.825 1.00 0.00 O ATOM 876 CB GLN A 55 21.820 4.676 -1.425 1.00 0.00 C ATOM 877 CG GLN A 55 22.170 4.495 -2.893 1.00 0.00 C ATOM 878 CD GLN A 55 23.450 5.215 -3.277 1.00 0.00 C ATOM 879 OE1 GLN A 55 24.367 5.353 -2.329 1.00 0.00 O flip ATOM 880 NE2 GLN A 55 23.615 5.645 -4.419 1.00 0.00 N flip ATOM 0 H GLN A 55 21.165 2.323 -2.116 1.00 0.00 H new ATOM 0 HA GLN A 55 20.464 4.067 0.101 1.00 0.00 H new ATOM 0 HB2 GLN A 55 21.722 5.742 -1.217 1.00 0.00 H new ATOM 0 HB3 GLN A 55 22.648 4.308 -0.820 1.00 0.00 H new ATOM 0 HG2 GLN A 55 22.275 3.432 -3.110 1.00 0.00 H new ATOM 0 HG3 GLN A 55 21.350 4.866 -3.507 1.00 0.00 H new ATOM 0 HE21 GLN A 55 22.886 5.520 -5.121 1.00 0.00 H new ATOM 0 HE22 GLN A 55 24.481 6.127 -4.663 1.00 0.00 H new ATOM 889 N PRO A 56 18.465 5.258 -0.790 1.00 0.00 N ATOM 890 CA PRO A 56 17.193 5.836 -1.231 1.00 0.00 C ATOM 891 C PRO A 56 17.354 7.169 -1.964 1.00 0.00 C ATOM 892 O PRO A 56 16.363 7.833 -2.279 1.00 0.00 O ATOM 893 CB PRO A 56 16.411 6.038 0.080 1.00 0.00 C ATOM 894 CG PRO A 56 17.256 5.443 1.162 1.00 0.00 C ATOM 895 CD PRO A 56 18.664 5.455 0.646 1.00 0.00 C ATOM 0 HA PRO A 56 16.695 5.186 -1.951 1.00 0.00 H new ATOM 0 HB2 PRO A 56 16.228 7.096 0.266 1.00 0.00 H new ATOM 0 HB3 PRO A 56 15.438 5.550 0.033 1.00 0.00 H new ATOM 0 HG2 PRO A 56 17.174 6.021 2.083 1.00 0.00 H new ATOM 0 HG3 PRO A 56 16.935 4.427 1.393 1.00 0.00 H new ATOM 0 HD2 PRO A 56 19.169 6.396 0.862 1.00 0.00 H new ATOM 0 HD3 PRO A 56 19.267 4.661 1.087 1.00 0.00 H new ATOM 903 N GLY A 57 18.589 7.561 -2.239 1.00 0.00 N ATOM 904 CA GLY A 57 18.826 8.802 -2.944 1.00 0.00 C ATOM 905 C GLY A 57 20.271 9.236 -2.867 1.00 0.00 C ATOM 906 O GLY A 57 21.152 8.433 -2.546 1.00 0.00 O ATOM 0 H GLY A 57 19.430 7.042 -1.987 1.00 0.00 H new ATOM 0 HA2 GLY A 57 18.539 8.685 -3.989 1.00 0.00 H new ATOM 0 HA3 GLY A 57 18.191 9.583 -2.525 1.00 0.00 H new ATOM 910 N MET A 58 20.513 10.504 -3.154 1.00 0.00 N ATOM 911 CA MET A 58 21.856 11.055 -3.111 1.00 0.00 C ATOM 912 C MET A 58 22.236 11.399 -1.676 1.00 0.00 C ATOM 913 O MET A 58 21.417 11.931 -0.926 1.00 0.00 O ATOM 914 CB MET A 58 21.946 12.301 -3.996 1.00 0.00 C ATOM 915 CG MET A 58 23.330 12.929 -4.034 1.00 0.00 C ATOM 916 SD MET A 58 24.579 11.829 -4.731 1.00 0.00 S ATOM 917 CE MET A 58 23.981 11.660 -6.414 1.00 0.00 C ATOM 0 H MET A 58 19.792 11.174 -3.421 1.00 0.00 H new ATOM 0 HA MET A 58 22.554 10.308 -3.489 1.00 0.00 H new ATOM 0 HB2 MET A 58 21.650 12.036 -5.011 1.00 0.00 H new ATOM 0 HB3 MET A 58 21.231 13.042 -3.638 1.00 0.00 H new ATOM 0 HG2 MET A 58 23.292 13.846 -4.622 1.00 0.00 H new ATOM 0 HG3 MET A 58 23.624 13.210 -3.023 1.00 0.00 H new ATOM 0 HE1 MET A 58 24.789 11.305 -7.053 1.00 0.00 H new ATOM 0 HE2 MET A 58 23.159 10.945 -6.438 1.00 0.00 H new ATOM 0 HE3 MET A 58 23.631 12.627 -6.775 1.00 0.00 H new ATOM 927 N GLN A 59 23.477 11.078 -1.312 1.00 0.00 N ATOM 928 CA GLN A 59 24.011 11.347 0.024 1.00 0.00 C ATOM 929 C GLN A 59 23.247 10.548 1.072 1.00 0.00 C ATOM 930 O GLN A 59 23.562 9.352 1.242 1.00 0.00 O ATOM 931 CB GLN A 59 23.952 12.845 0.349 1.00 0.00 C ATOM 932 CG GLN A 59 24.599 13.731 -0.705 1.00 0.00 C ATOM 933 CD GLN A 59 26.115 13.648 -0.722 1.00 0.00 C ATOM 934 OE1 GLN A 59 26.707 12.630 -0.368 1.00 0.00 O ATOM 935 NE2 GLN A 59 26.751 14.723 -1.160 1.00 0.00 N ATOM 936 OXT GLN A 59 22.332 11.105 1.717 1.00 0.00 O ATOM 0 H GLN A 59 24.143 10.623 -1.937 1.00 0.00 H new ATOM 0 HA GLN A 59 25.056 11.037 0.039 1.00 0.00 H new ATOM 0 HB2 GLN A 59 22.909 13.140 0.467 1.00 0.00 H new ATOM 0 HB3 GLN A 59 24.443 13.019 1.307 1.00 0.00 H new ATOM 0 HG2 GLN A 59 24.217 13.451 -1.687 1.00 0.00 H new ATOM 0 HG3 GLN A 59 24.302 14.765 -0.530 1.00 0.00 H new ATOM 0 HE21 GLN A 59 26.222 15.548 -1.444 1.00 0.00 H new ATOM 0 HE22 GLN A 59 27.770 14.727 -1.213 1.00 0.00 H new TER 945 GLN A 59