USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 917 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: B 23 ASN : amide:sc= -3.42! C(o=-3.8!,f=-14!) USER MOD Set 1.2: B 55 GLN :FLIP amide:sc= -0.337 F(o=-6.2,f=-3.8) USER MOD Set 2.1: B 21 ASN : amide:sc= -1.2! C(o=-8.1!,f=-9.4!) USER MOD Set 2.2: B 52 ASN : amide:sc= -6.86! C(o=-8.1!,f=-16!) USER MOD Set 3.1: A 28 ASN : amide:sc= -5.9! C(o=-6.2!,f=-12!) USER MOD Set 3.2: B 10 SER OG : rot -170:sc= -0.299 USER MOD Set 4.1: A 40 GLN : amide:sc=-0.000749 K(o=-0.00075,f=-2.6) USER MOD Set 4.2: A 43 ASN : amide:sc= 0 X(o=-0.00075,f=-0.00075) USER MOD Set 5.1: A 35 LYS NZ :NH3+ 174:sc= -2.92 (180deg=-3.24!) USER MOD Set 5.2: B 3 ASN : amide:sc= -0.955 X(o=-3.9,f=-4.1!) USER MOD Set 6.1: A 23 ASN : amide:sc= -0.444 K(o=0.83,f=-5.6!) USER MOD Set 6.2: A 26 GLN : amide:sc= 0.95 K(o=0.83,f=-10!) USER MOD Set 6.3: A 55 GLN :FLIP amide:sc= 0.322 F(o=0.066,f=0.83) USER MOD Set 7.1: A 21 ASN : amide:sc= -0.792 K(o=-2.4,f=-5.1) USER MOD Set 7.2: A 52 ASN : amide:sc= -1.6! C(o=-2.4!,f=-5.1!) USER MOD Set 8.1: A 14 TYR OH : rot -73:sc= -0.747 USER MOD Set 8.2: A 18 HIS :FLIP no HE2:sc= -23.5! C(o=-27!,f=-24!) USER MOD Single : A 1 VAL N :NH3+ 152:sc= -0.562 (180deg=-0.949) USER MOD Single : A 3 ASN : amide:sc= -0.605 K(o=-0.61,f=-5.3!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -3.18! C(o=-3.2!,f=-8.6!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN :FLIP amide:sc= -1.67! C(o=-2.3!,f=-1.7!) USER MOD Single : A 10 GLN : amide:sc= -1.47 K(o=-1.5,f=-5.3!) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.655 K(o=-0.66,f=-2.2!) USER MOD Single : A 33 SER OG : rot 9:sc= -0.229 USER MOD Single : A 39 SER OG : rot -54:sc= 0.557 USER MOD Single : A 41 SER OG : rot -98:sc= 0.741 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -144:sc= 0.494 (180deg=-0.357) USER MOD Single : B 1 VAL N :NH3+ -157:sc= -0.0503 (180deg=-0.642) USER MOD Single : B 4 LYS NZ :NH3+ 178:sc= 0.0902 (180deg=0.0893) USER MOD Single : B 6 ASN : amide:sc= -2.9 K(o=-2.9,f=-5.3!) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 THR OG1 : rot -45:sc= 0.574 USER MOD Single : B 26 GLN : amide:sc= -3.68! C(o=-3.7!,f=-8.2!) USER MOD Single : B 27 LYS NZ :NH3+ -151:sc= 0.464 (180deg=0.135) USER MOD Single : B 28 LYS NZ :NH3+ -160:sc= 0.32 (180deg=0.124) USER MOD Single : B 33 SER OG : rot -25:sc= -2.08! USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc=-0.00356 X(o=-0.0036,f=0) USER MOD Single : B 41 SER OG : rot -89:sc= 0.1 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 154:sc= -0.756 (180deg=-1.75) USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= -0.0169 (180deg=-0.0169) USER MOD Single : B 58 LYS NZ :NH3+ 173:sc= -0.526 (180deg=-0.527) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -4.620 -14.689 8.635 1.00 0.00 N ATOM 2 CA VAL A 1 -3.292 -14.859 7.944 1.00 0.00 C ATOM 3 C VAL A 1 -2.789 -16.306 8.106 1.00 0.00 C ATOM 4 O VAL A 1 -2.691 -16.814 9.212 1.00 0.00 O ATOM 5 CB VAL A 1 -2.291 -13.856 8.590 1.00 0.00 C ATOM 6 CG1 VAL A 1 -2.623 -12.423 8.152 1.00 0.00 C ATOM 7 CG2 VAL A 1 -2.329 -13.935 10.128 1.00 0.00 C ATOM 0 H1 VAL A 1 -4.729 -13.700 8.939 1.00 0.00 H new ATOM 0 H2 VAL A 1 -5.387 -14.936 7.978 1.00 0.00 H new ATOM 0 H3 VAL A 1 -4.661 -15.313 9.466 1.00 0.00 H new ATOM 0 HA VAL A 1 -3.388 -14.660 6.877 1.00 0.00 H new ATOM 0 HB VAL A 1 -1.290 -14.126 8.252 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -1.917 -11.730 8.609 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -2.553 -12.349 7.067 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -3.635 -12.171 8.468 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -1.619 -13.222 10.547 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -3.333 -13.696 10.480 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -2.063 -14.943 10.447 1.00 0.00 H new ATOM 19 N ASP A 2 -2.468 -16.971 7.007 1.00 0.00 N ATOM 20 CA ASP A 2 -1.959 -18.389 7.094 1.00 0.00 C ATOM 21 C ASP A 2 -0.583 -18.433 7.799 1.00 0.00 C ATOM 22 O ASP A 2 -0.292 -19.357 8.536 1.00 0.00 O ATOM 23 CB ASP A 2 -1.873 -18.912 5.639 1.00 0.00 C ATOM 24 CG ASP A 2 -0.712 -18.256 4.868 1.00 0.00 C ATOM 25 OD1 ASP A 2 -0.869 -17.124 4.443 1.00 0.00 O ATOM 26 OD2 ASP A 2 0.312 -18.901 4.721 1.00 0.00 O ATOM 0 H ASP A 2 -2.536 -16.595 6.061 1.00 0.00 H new ATOM 0 HA ASP A 2 -2.624 -19.017 7.687 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -1.739 -19.994 5.648 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -2.812 -18.711 5.124 1.00 0.00 H new ATOM 31 N ASN A 3 0.251 -17.429 7.578 1.00 0.00 N ATOM 32 CA ASN A 3 1.603 -17.381 8.228 1.00 0.00 C ATOM 33 C ASN A 3 2.036 -15.917 8.465 1.00 0.00 C ATOM 34 O ASN A 3 1.297 -14.988 8.169 1.00 0.00 O ATOM 35 CB ASN A 3 2.557 -18.114 7.256 1.00 0.00 C ATOM 36 CG ASN A 3 2.812 -17.309 5.960 1.00 0.00 C ATOM 37 OD1 ASN A 3 2.030 -16.460 5.573 1.00 0.00 O ATOM 38 ND2 ASN A 3 3.889 -17.553 5.263 1.00 0.00 N ATOM 0 H ASN A 3 0.045 -16.637 6.969 1.00 0.00 H new ATOM 0 HA ASN A 3 1.607 -17.858 9.208 1.00 0.00 H new ATOM 0 HB2 ASN A 3 3.507 -18.302 7.756 1.00 0.00 H new ATOM 0 HB3 ASN A 3 2.134 -19.085 7.000 1.00 0.00 H new ATOM 0 HD21 ASN A 3 4.068 -17.034 4.403 1.00 0.00 H new ATOM 0 HD22 ASN A 3 4.551 -18.262 5.578 1.00 0.00 H new ATOM 45 N LYS A 4 3.226 -15.712 8.999 1.00 0.00 N ATOM 46 CA LYS A 4 3.723 -14.311 9.263 1.00 0.00 C ATOM 47 C LYS A 4 3.827 -13.489 7.965 1.00 0.00 C ATOM 48 O LYS A 4 3.474 -12.327 7.949 1.00 0.00 O ATOM 49 CB LYS A 4 5.110 -14.451 9.938 1.00 0.00 C ATOM 50 CG LYS A 4 6.107 -15.214 9.045 1.00 0.00 C ATOM 51 CD LYS A 4 7.404 -15.465 9.821 1.00 0.00 C ATOM 52 CE LYS A 4 8.431 -16.150 8.908 1.00 0.00 C ATOM 53 NZ LYS A 4 9.123 -17.159 9.765 1.00 0.00 N ATOM 0 H LYS A 4 3.875 -16.454 9.263 1.00 0.00 H new ATOM 0 HA LYS A 4 3.023 -13.776 9.905 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.507 -13.461 10.162 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.000 -14.973 10.889 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.673 -16.162 8.726 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.316 -14.639 8.143 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.805 -14.522 10.192 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.203 -16.090 10.691 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.943 -16.627 8.058 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.140 -15.427 8.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.837 -17.662 9.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.587 -16.678 10.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.427 -17.841 10.130 1.00 0.00 H new ATOM 67 N PHE A 5 4.311 -14.079 6.885 1.00 0.00 N ATOM 68 CA PHE A 5 4.454 -13.325 5.594 1.00 0.00 C ATOM 69 C PHE A 5 3.102 -12.840 5.044 1.00 0.00 C ATOM 70 O PHE A 5 3.068 -11.851 4.340 1.00 0.00 O ATOM 71 CB PHE A 5 5.127 -14.287 4.598 1.00 0.00 C ATOM 72 CG PHE A 5 6.543 -14.644 5.040 1.00 0.00 C ATOM 73 CD1 PHE A 5 7.295 -13.770 5.850 1.00 0.00 C ATOM 74 CD2 PHE A 5 7.105 -15.858 4.625 1.00 0.00 C ATOM 75 CE1 PHE A 5 8.591 -14.117 6.237 1.00 0.00 C ATOM 76 CE2 PHE A 5 8.404 -16.200 5.016 1.00 0.00 C ATOM 77 CZ PHE A 5 9.147 -15.330 5.820 1.00 0.00 C ATOM 0 H PHE A 5 4.612 -15.053 6.847 1.00 0.00 H new ATOM 0 HA PHE A 5 5.049 -12.426 5.755 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.532 -15.196 4.509 1.00 0.00 H new ATOM 0 HB3 PHE A 5 5.157 -13.828 3.610 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.869 -12.831 6.172 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.535 -16.531 4.002 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.165 -13.447 6.860 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.834 -17.138 4.696 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.150 -15.595 6.119 1.00 0.00 H new ATOM 87 N ASN A 6 2.000 -13.520 5.343 1.00 0.00 N ATOM 88 CA ASN A 6 0.662 -13.074 4.810 1.00 0.00 C ATOM 89 C ASN A 6 0.415 -11.591 5.153 1.00 0.00 C ATOM 90 O ASN A 6 0.297 -10.773 4.256 1.00 0.00 O ATOM 91 CB ASN A 6 -0.386 -13.976 5.477 1.00 0.00 C ATOM 92 CG ASN A 6 -1.739 -13.795 4.774 1.00 0.00 C ATOM 93 OD1 ASN A 6 -2.580 -13.051 5.235 1.00 0.00 O ATOM 94 ND2 ASN A 6 -1.988 -14.447 3.672 1.00 0.00 N ATOM 0 H ASN A 6 1.975 -14.355 5.928 1.00 0.00 H new ATOM 0 HA ASN A 6 0.614 -13.158 3.724 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -0.072 -15.018 5.422 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -0.477 -13.726 6.534 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -2.886 -14.330 3.202 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -1.285 -15.074 3.280 1.00 0.00 H new ATOM 101 N LYS A 7 0.380 -11.229 6.429 1.00 0.00 N ATOM 102 CA LYS A 7 0.184 -9.781 6.784 1.00 0.00 C ATOM 103 C LYS A 7 1.494 -8.995 6.667 1.00 0.00 C ATOM 104 O LYS A 7 1.446 -7.817 6.435 1.00 0.00 O ATOM 105 CB LYS A 7 -0.372 -9.709 8.200 1.00 0.00 C ATOM 106 CG LYS A 7 -0.302 -8.265 8.709 1.00 0.00 C ATOM 107 CD LYS A 7 -0.823 -8.225 10.125 1.00 0.00 C ATOM 108 CE LYS A 7 -0.587 -6.834 10.727 1.00 0.00 C ATOM 109 NZ LYS A 7 -0.893 -6.972 12.184 1.00 0.00 N ATOM 0 H LYS A 7 0.477 -11.865 7.221 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.518 -9.325 6.085 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.404 -10.060 8.214 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.197 -10.365 8.858 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.725 -7.901 8.674 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.894 -7.610 8.070 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.887 -8.461 10.137 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.322 -8.982 10.728 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.441 -6.508 10.571 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.231 -6.090 10.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.752 -6.056 12.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.881 -7.275 12.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.260 -7.681 12.606 1.00 0.00 H new ATOM 123 N GLU A 8 2.654 -9.612 6.806 1.00 0.00 N ATOM 124 CA GLU A 8 3.930 -8.823 6.646 1.00 0.00 C ATOM 125 C GLU A 8 3.922 -8.193 5.261 1.00 0.00 C ATOM 126 O GLU A 8 4.288 -7.053 5.106 1.00 0.00 O ATOM 127 CB GLU A 8 5.108 -9.784 6.781 1.00 0.00 C ATOM 128 CG GLU A 8 5.374 -10.091 8.258 1.00 0.00 C ATOM 129 CD GLU A 8 5.760 -8.806 9.012 1.00 0.00 C ATOM 130 OE1 GLU A 8 6.759 -8.200 8.651 1.00 0.00 O ATOM 131 OE2 GLU A 8 5.042 -8.448 9.931 1.00 0.00 O ATOM 0 H GLU A 8 2.772 -10.603 7.018 1.00 0.00 H new ATOM 0 HA GLU A 8 4.014 -8.043 7.402 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.897 -10.708 6.242 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.997 -9.347 6.327 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.486 -10.533 8.710 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.175 -10.826 8.345 1.00 0.00 H new ATOM 138 N GLN A 9 3.421 -8.912 4.267 1.00 0.00 N ATOM 139 CA GLN A 9 3.284 -8.324 2.905 1.00 0.00 C ATOM 140 C GLN A 9 2.228 -7.203 2.976 1.00 0.00 C ATOM 141 O GLN A 9 2.395 -6.162 2.403 1.00 0.00 O ATOM 142 CB GLN A 9 2.787 -9.437 1.982 1.00 0.00 C ATOM 143 CG GLN A 9 3.865 -10.488 1.728 1.00 0.00 C ATOM 144 CD GLN A 9 3.261 -11.599 0.862 1.00 0.00 C ATOM 145 OE1 GLN A 9 2.615 -12.582 1.432 1.00 0.00 O flip ATOM 146 NE2 GLN A 9 3.369 -11.567 -0.347 1.00 0.00 N flip ATOM 0 H GLN A 9 3.105 -9.878 4.353 1.00 0.00 H new ATOM 0 HA GLN A 9 4.227 -7.918 2.539 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.913 -9.913 2.425 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.468 -9.007 1.033 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.722 -10.039 1.226 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.227 -10.897 2.672 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.873 -10.801 -0.794 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.956 -12.306 -0.916 1.00 0.00 H new ATOM 155 N GLN A 10 1.160 -7.431 3.727 1.00 0.00 N ATOM 156 CA GLN A 10 0.069 -6.402 3.925 1.00 0.00 C ATOM 157 C GLN A 10 0.637 -5.159 4.626 1.00 0.00 C ATOM 158 O GLN A 10 0.414 -4.044 4.195 1.00 0.00 O ATOM 159 CB GLN A 10 -0.940 -7.100 4.849 1.00 0.00 C ATOM 160 CG GLN A 10 -2.338 -7.098 4.232 1.00 0.00 C ATOM 161 CD GLN A 10 -2.637 -8.455 3.562 1.00 0.00 C ATOM 162 OE1 GLN A 10 -2.066 -9.466 3.913 1.00 0.00 O ATOM 163 NE2 GLN A 10 -3.534 -8.529 2.622 1.00 0.00 N ATOM 0 H GLN A 10 0.997 -8.308 4.222 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.371 -6.072 2.984 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.621 -8.126 5.033 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.964 -6.595 5.815 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.081 -6.895 5.003 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.416 -6.298 3.496 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.023 -7.688 2.316 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.748 -9.428 2.191 1.00 0.00 H new ATOM 172 N ASN A 11 1.376 -5.366 5.699 1.00 0.00 N ATOM 173 CA ASN A 11 1.990 -4.234 6.457 1.00 0.00 C ATOM 174 C ASN A 11 3.101 -3.603 5.625 1.00 0.00 C ATOM 175 O ASN A 11 3.170 -2.407 5.512 1.00 0.00 O ATOM 176 CB ASN A 11 2.569 -4.853 7.738 1.00 0.00 C ATOM 177 CG ASN A 11 2.873 -3.742 8.747 1.00 0.00 C ATOM 178 OD1 ASN A 11 1.979 -3.233 9.393 1.00 0.00 O ATOM 179 ND2 ASN A 11 4.104 -3.330 8.905 1.00 0.00 N ATOM 0 H ASN A 11 1.579 -6.289 6.082 1.00 0.00 H new ATOM 0 HA ASN A 11 1.264 -3.454 6.686 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.860 -5.563 8.165 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.478 -5.409 7.508 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.311 -2.584 9.569 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.857 -3.755 8.364 1.00 0.00 H new ATOM 186 N ALA A 12 3.950 -4.414 5.021 1.00 0.00 N ATOM 187 CA ALA A 12 5.046 -3.867 4.160 1.00 0.00 C ATOM 188 C ALA A 12 4.425 -3.131 2.977 1.00 0.00 C ATOM 189 O ALA A 12 4.846 -2.053 2.643 1.00 0.00 O ATOM 190 CB ALA A 12 5.851 -5.069 3.669 1.00 0.00 C ATOM 0 H ALA A 12 3.926 -5.431 5.091 1.00 0.00 H new ATOM 0 HA ALA A 12 5.684 -3.170 4.703 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.667 -4.725 3.033 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.259 -5.607 4.524 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.202 -5.733 3.098 1.00 0.00 H new ATOM 196 N PHE A 13 3.388 -3.700 2.382 1.00 0.00 N ATOM 197 CA PHE A 13 2.678 -3.025 1.248 1.00 0.00 C ATOM 198 C PHE A 13 2.166 -1.681 1.745 1.00 0.00 C ATOM 199 O PHE A 13 2.522 -0.644 1.219 1.00 0.00 O ATOM 200 CB PHE A 13 1.490 -3.950 0.896 1.00 0.00 C ATOM 201 CG PHE A 13 0.528 -3.252 -0.034 1.00 0.00 C ATOM 202 CD1 PHE A 13 1.000 -2.658 -1.204 1.00 0.00 C ATOM 203 CD2 PHE A 13 -0.843 -3.243 0.251 1.00 0.00 C ATOM 204 CE1 PHE A 13 0.109 -2.054 -2.081 1.00 0.00 C ATOM 205 CE2 PHE A 13 -1.734 -2.649 -0.635 1.00 0.00 C ATOM 206 CZ PHE A 13 -1.260 -2.057 -1.796 1.00 0.00 C ATOM 0 H PHE A 13 3.007 -4.610 2.641 1.00 0.00 H new ATOM 0 HA PHE A 13 3.317 -2.857 0.381 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.859 -4.862 0.427 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.971 -4.247 1.808 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.057 -2.668 -1.428 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.208 -3.698 1.160 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.473 -1.583 -2.982 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.792 -2.648 -0.420 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.952 -1.595 -2.484 1.00 0.00 H new ATOM 216 N TYR A 14 1.359 -1.716 2.784 1.00 0.00 N ATOM 217 CA TYR A 14 0.806 -0.471 3.377 1.00 0.00 C ATOM 218 C TYR A 14 1.936 0.510 3.724 1.00 0.00 C ATOM 219 O TYR A 14 1.914 1.636 3.303 1.00 0.00 O ATOM 220 CB TYR A 14 0.115 -0.932 4.645 1.00 0.00 C ATOM 221 CG TYR A 14 -0.506 0.253 5.318 1.00 0.00 C ATOM 222 CD1 TYR A 14 -1.781 0.673 4.951 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.189 0.915 6.332 1.00 0.00 C ATOM 224 CE1 TYR A 14 -2.360 1.739 5.592 1.00 0.00 C ATOM 225 CE2 TYR A 14 -0.389 2.007 6.972 1.00 0.00 C ATOM 226 CZ TYR A 14 -1.668 2.423 6.608 1.00 0.00 C ATOM 227 OH TYR A 14 -2.255 3.499 7.247 1.00 0.00 O ATOM 0 H TYR A 14 1.061 -2.574 3.247 1.00 0.00 H new ATOM 0 HA TYR A 14 0.134 0.048 2.693 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.648 -1.674 4.410 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.832 -1.411 5.312 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.314 0.161 4.163 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.175 0.580 6.619 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.355 2.055 5.314 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.151 2.530 7.747 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.274 4.269 6.641 1.00 0.00 H new ATOM 237 N GLU A 15 2.926 0.071 4.475 1.00 0.00 N ATOM 238 CA GLU A 15 4.063 0.978 4.847 1.00 0.00 C ATOM 239 C GLU A 15 4.768 1.483 3.581 1.00 0.00 C ATOM 240 O GLU A 15 5.052 2.653 3.485 1.00 0.00 O ATOM 241 CB GLU A 15 5.003 0.147 5.726 1.00 0.00 C ATOM 242 CG GLU A 15 4.355 -0.142 7.099 1.00 0.00 C ATOM 243 CD GLU A 15 4.036 1.171 7.835 1.00 0.00 C ATOM 244 OE1 GLU A 15 4.951 1.950 8.055 1.00 0.00 O ATOM 245 OE2 GLU A 15 2.879 1.373 8.165 1.00 0.00 O ATOM 0 H GLU A 15 2.994 -0.877 4.845 1.00 0.00 H new ATOM 0 HA GLU A 15 3.722 1.862 5.386 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.241 -0.792 5.226 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.943 0.680 5.867 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.441 -0.719 6.961 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.028 -0.750 7.704 1.00 0.00 H new ATOM 252 N ILE A 16 4.988 0.632 2.580 1.00 0.00 N ATOM 253 CA ILE A 16 5.608 1.117 1.288 1.00 0.00 C ATOM 254 C ILE A 16 4.742 2.269 0.740 1.00 0.00 C ATOM 255 O ILE A 16 5.249 3.320 0.380 1.00 0.00 O ATOM 256 CB ILE A 16 5.630 -0.122 0.349 1.00 0.00 C ATOM 257 CG1 ILE A 16 6.975 -0.835 0.546 1.00 0.00 C ATOM 258 CG2 ILE A 16 5.465 0.268 -1.128 1.00 0.00 C ATOM 259 CD1 ILE A 16 6.780 -2.341 0.506 1.00 0.00 C ATOM 0 H ILE A 16 4.766 -0.363 2.606 1.00 0.00 H new ATOM 0 HA ILE A 16 6.619 1.508 1.399 1.00 0.00 H new ATOM 0 HB ILE A 16 4.793 -0.772 0.603 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.674 -0.530 -0.233 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.414 -0.543 1.500 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.487 -0.630 -1.746 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.513 0.780 -1.265 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.279 0.931 -1.422 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.741 -2.836 0.647 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.097 -2.641 1.301 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.362 -2.628 -0.459 1.00 0.00 H new ATOM 271 N LEU A 17 3.439 2.076 0.725 1.00 0.00 N ATOM 272 CA LEU A 17 2.495 3.156 0.256 1.00 0.00 C ATOM 273 C LEU A 17 2.463 4.348 1.250 1.00 0.00 C ATOM 274 O LEU A 17 2.317 5.482 0.846 1.00 0.00 O ATOM 275 CB LEU A 17 1.090 2.525 0.222 1.00 0.00 C ATOM 276 CG LEU A 17 0.998 1.383 -0.796 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.260 0.207 -0.202 1.00 0.00 C ATOM 278 CD2 LEU A 17 0.173 1.792 -1.982 1.00 0.00 C ATOM 0 H LEU A 17 2.984 1.212 1.019 1.00 0.00 H new ATOM 0 HA LEU A 17 2.816 3.530 -0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.838 2.148 1.213 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.355 3.291 -0.025 1.00 0.00 H new ATOM 0 HG LEU A 17 2.021 1.133 -1.076 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.203 -0.596 -0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.791 -0.147 0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.747 0.514 0.079 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.121 0.966 -2.691 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.833 2.051 -1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.631 2.656 -2.464 1.00 0.00 H new ATOM 290 N HIS A 18 2.546 4.082 2.545 1.00 0.00 N ATOM 291 CA HIS A 18 2.459 5.175 3.587 1.00 0.00 C ATOM 292 C HIS A 18 3.825 5.783 3.983 1.00 0.00 C ATOM 293 O HIS A 18 3.856 6.688 4.803 1.00 0.00 O ATOM 294 CB HIS A 18 1.802 4.508 4.815 1.00 0.00 C ATOM 295 CG HIS A 18 0.324 4.312 4.568 1.00 0.00 C ATOM 296 ND1 HIS A 18 -0.379 3.326 3.925 1.00 0.00 N flip ATOM 297 CD2 HIS A 18 -0.630 5.232 4.976 1.00 0.00 C flip ATOM 298 CE1 HIS A 18 -1.716 3.639 3.913 1.00 0.00 C flip ATOM 299 NE2 HIS A 18 -1.827 4.770 4.561 1.00 0.00 N flip ATOM 0 H HIS A 18 2.672 3.145 2.927 1.00 0.00 H new ATOM 0 HA HIS A 18 1.891 6.015 3.187 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.276 3.547 5.014 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.952 5.127 5.699 1.00 0.00 H new ATOM 0 HD1 HIS A 18 0.030 2.486 3.517 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.449 6.146 5.523 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.513 3.068 3.461 1.00 0.00 H new ATOM 307 N LEU A 19 4.946 5.329 3.432 1.00 0.00 N ATOM 308 CA LEU A 19 6.271 5.941 3.826 1.00 0.00 C ATOM 309 C LEU A 19 6.304 7.417 3.369 1.00 0.00 C ATOM 310 O LEU A 19 5.823 7.734 2.292 1.00 0.00 O ATOM 311 CB LEU A 19 7.373 5.121 3.128 1.00 0.00 C ATOM 312 CG LEU A 19 7.777 3.911 3.994 1.00 0.00 C ATOM 313 CD1 LEU A 19 8.677 2.986 3.173 1.00 0.00 C ATOM 314 CD2 LEU A 19 8.538 4.365 5.254 1.00 0.00 C ATOM 0 H LEU A 19 4.998 4.579 2.743 1.00 0.00 H new ATOM 0 HA LEU A 19 6.421 5.922 4.906 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.018 4.778 2.156 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.243 5.752 2.945 1.00 0.00 H new ATOM 0 HG LEU A 19 6.872 3.387 4.303 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.967 2.128 3.779 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.137 2.641 2.291 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.570 3.529 2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.812 3.493 5.848 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.440 4.902 4.961 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.901 5.022 5.847 1.00 0.00 H new ATOM 326 N PRO A 20 6.828 8.281 4.226 1.00 0.00 N ATOM 327 CA PRO A 20 6.864 9.746 3.924 1.00 0.00 C ATOM 328 C PRO A 20 7.815 10.119 2.767 1.00 0.00 C ATOM 329 O PRO A 20 7.700 11.208 2.226 1.00 0.00 O ATOM 330 CB PRO A 20 7.339 10.373 5.235 1.00 0.00 C ATOM 331 CG PRO A 20 8.095 9.289 5.926 1.00 0.00 C ATOM 332 CD PRO A 20 7.443 7.991 5.535 1.00 0.00 C ATOM 0 HA PRO A 20 5.889 10.100 3.589 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.972 11.241 5.051 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.497 10.714 5.838 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.144 9.300 5.630 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.067 9.426 7.007 1.00 0.00 H new ATOM 0 HD2 PRO A 20 8.172 7.184 5.464 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.697 7.683 6.267 1.00 0.00 H new ATOM 340 N ASN A 21 8.758 9.267 2.392 1.00 0.00 N ATOM 341 CA ASN A 21 9.700 9.646 1.285 1.00 0.00 C ATOM 342 C ASN A 21 9.686 8.622 0.128 1.00 0.00 C ATOM 343 O ASN A 21 10.530 8.689 -0.753 1.00 0.00 O ATOM 344 CB ASN A 21 11.081 9.715 1.948 1.00 0.00 C ATOM 345 CG ASN A 21 11.056 10.689 3.127 1.00 0.00 C ATOM 346 OD1 ASN A 21 10.864 10.294 4.259 1.00 0.00 O ATOM 347 ND2 ASN A 21 11.253 11.948 2.909 1.00 0.00 N ATOM 0 H ASN A 21 8.910 8.344 2.800 1.00 0.00 H new ATOM 0 HA ASN A 21 9.412 10.593 0.828 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.376 8.724 2.293 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.826 10.034 1.219 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.247 12.607 3.687 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.415 12.282 1.959 1.00 0.00 H new ATOM 354 N LEU A 22 8.729 7.702 0.090 1.00 0.00 N ATOM 355 CA LEU A 22 8.679 6.729 -1.051 1.00 0.00 C ATOM 356 C LEU A 22 7.861 7.321 -2.199 1.00 0.00 C ATOM 357 O LEU A 22 6.835 7.948 -1.991 1.00 0.00 O ATOM 358 CB LEU A 22 8.025 5.426 -0.535 1.00 0.00 C ATOM 359 CG LEU A 22 9.049 4.490 0.155 1.00 0.00 C ATOM 360 CD1 LEU A 22 8.609 3.037 -0.029 1.00 0.00 C ATOM 361 CD2 LEU A 22 10.445 4.632 -0.456 1.00 0.00 C ATOM 0 H LEU A 22 7.997 7.591 0.791 1.00 0.00 H new ATOM 0 HA LEU A 22 9.682 6.519 -1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.231 5.674 0.169 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.559 4.900 -1.369 1.00 0.00 H new ATOM 0 HG LEU A 22 9.089 4.767 1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.327 2.375 0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.625 2.895 0.419 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.560 2.803 -1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.135 3.960 0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.406 4.377 -1.515 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.789 5.660 -0.343 1.00 0.00 H new ATOM 373 N ASN A 23 8.319 7.105 -3.405 1.00 0.00 N ATOM 374 CA ASN A 23 7.599 7.634 -4.615 1.00 0.00 C ATOM 375 C ASN A 23 7.050 6.475 -5.448 1.00 0.00 C ATOM 376 O ASN A 23 7.051 5.341 -5.017 1.00 0.00 O ATOM 377 CB ASN A 23 8.629 8.464 -5.414 1.00 0.00 C ATOM 378 CG ASN A 23 9.926 7.671 -5.649 1.00 0.00 C ATOM 379 OD1 ASN A 23 9.984 6.829 -6.516 1.00 0.00 O ATOM 380 ND2 ASN A 23 10.972 7.906 -4.899 1.00 0.00 N ATOM 0 H ASN A 23 9.169 6.580 -3.611 1.00 0.00 H new ATOM 0 HA ASN A 23 6.747 8.254 -4.336 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.199 8.755 -6.373 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.855 9.383 -4.874 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.833 7.380 -5.046 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.926 8.615 -4.167 1.00 0.00 H new ATOM 387 N GLU A 24 6.573 6.760 -6.633 1.00 0.00 N ATOM 388 CA GLU A 24 6.005 5.676 -7.509 1.00 0.00 C ATOM 389 C GLU A 24 7.094 4.679 -7.926 1.00 0.00 C ATOM 390 O GLU A 24 6.862 3.494 -7.935 1.00 0.00 O ATOM 391 CB GLU A 24 5.428 6.389 -8.746 1.00 0.00 C ATOM 392 CG GLU A 24 4.050 6.994 -8.421 1.00 0.00 C ATOM 393 CD GLU A 24 4.206 8.351 -7.718 1.00 0.00 C ATOM 394 OE1 GLU A 24 4.675 9.282 -8.353 1.00 0.00 O ATOM 395 OE2 GLU A 24 3.855 8.433 -6.552 1.00 0.00 O ATOM 0 H GLU A 24 6.550 7.696 -7.037 1.00 0.00 H new ATOM 0 HA GLU A 24 5.242 5.105 -6.981 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.110 7.175 -9.072 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.337 5.683 -9.571 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.476 7.118 -9.339 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.488 6.311 -7.784 1.00 0.00 H new ATOM 402 N GLU A 25 8.285 5.133 -8.249 1.00 0.00 N ATOM 403 CA GLU A 25 9.369 4.166 -8.648 1.00 0.00 C ATOM 404 C GLU A 25 9.687 3.217 -7.476 1.00 0.00 C ATOM 405 O GLU A 25 9.760 2.011 -7.652 1.00 0.00 O ATOM 406 CB GLU A 25 10.587 5.034 -9.001 1.00 0.00 C ATOM 407 CG GLU A 25 11.706 4.157 -9.580 1.00 0.00 C ATOM 408 CD GLU A 25 12.964 5.005 -9.810 1.00 0.00 C ATOM 409 OE1 GLU A 25 13.580 5.402 -8.830 1.00 0.00 O ATOM 410 OE2 GLU A 25 13.295 5.237 -10.961 1.00 0.00 O ATOM 0 H GLU A 25 8.554 6.117 -8.255 1.00 0.00 H new ATOM 0 HA GLU A 25 9.073 3.540 -9.490 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.302 5.799 -9.724 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.944 5.553 -8.112 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.929 3.337 -8.897 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.381 3.710 -10.519 1.00 0.00 H new ATOM 417 N GLN A 26 9.858 3.758 -6.285 1.00 0.00 N ATOM 418 CA GLN A 26 10.178 2.904 -5.089 1.00 0.00 C ATOM 419 C GLN A 26 8.941 2.155 -4.564 1.00 0.00 C ATOM 420 O GLN A 26 8.970 0.946 -4.437 1.00 0.00 O ATOM 421 CB GLN A 26 10.718 3.883 -4.031 1.00 0.00 C ATOM 422 CG GLN A 26 12.253 3.922 -4.096 1.00 0.00 C ATOM 423 CD GLN A 26 12.717 4.471 -5.453 1.00 0.00 C ATOM 424 OE1 GLN A 26 12.614 5.650 -5.715 1.00 0.00 O ATOM 425 NE2 GLN A 26 13.222 3.653 -6.339 1.00 0.00 N ATOM 0 H GLN A 26 9.789 4.757 -6.091 1.00 0.00 H new ATOM 0 HA GLN A 26 10.900 2.127 -5.342 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.312 4.880 -4.203 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.394 3.574 -3.037 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.642 4.546 -3.292 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.655 2.920 -3.945 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.311 2.660 -6.124 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.527 4.008 -7.245 1.00 0.00 H new ATOM 434 N ARG A 27 7.871 2.859 -4.242 1.00 0.00 N ATOM 435 CA ARG A 27 6.636 2.187 -3.694 1.00 0.00 C ATOM 436 C ARG A 27 6.044 1.146 -4.671 1.00 0.00 C ATOM 437 O ARG A 27 5.721 0.041 -4.274 1.00 0.00 O ATOM 438 CB ARG A 27 5.601 3.309 -3.497 1.00 0.00 C ATOM 439 CG ARG A 27 4.265 2.737 -3.011 1.00 0.00 C ATOM 440 CD ARG A 27 3.177 3.811 -3.109 1.00 0.00 C ATOM 441 NE ARG A 27 2.968 4.025 -4.577 1.00 0.00 N ATOM 442 CZ ARG A 27 3.012 5.234 -5.095 1.00 0.00 C ATOM 443 NH1 ARG A 27 3.986 6.059 -4.779 1.00 0.00 N ATOM 444 NH2 ARG A 27 2.080 5.616 -5.932 1.00 0.00 N ATOM 0 H ARG A 27 7.800 3.872 -4.335 1.00 0.00 H new ATOM 0 HA ARG A 27 6.887 1.657 -2.775 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.976 4.033 -2.774 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.453 3.843 -4.436 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.989 1.870 -3.612 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.359 2.394 -1.981 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.257 3.485 -2.624 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.488 4.733 -2.617 1.00 0.00 H new ATOM 0 HE ARG A 27 2.789 3.224 -5.182 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.714 5.763 -4.128 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.014 6.995 -5.184 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.324 4.977 -6.180 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.110 6.552 -6.336 1.00 0.00 H new ATOM 458 N ASN A 28 5.869 1.508 -5.934 1.00 0.00 N ATOM 459 CA ASN A 28 5.256 0.550 -6.928 1.00 0.00 C ATOM 460 C ASN A 28 6.188 -0.645 -7.138 1.00 0.00 C ATOM 461 O ASN A 28 5.737 -1.776 -7.174 1.00 0.00 O ATOM 462 CB ASN A 28 5.069 1.317 -8.250 1.00 0.00 C ATOM 463 CG ASN A 28 4.267 2.623 -8.067 1.00 0.00 C ATOM 464 OD1 ASN A 28 3.764 2.918 -7.001 1.00 0.00 O ATOM 465 ND2 ASN A 28 4.130 3.430 -9.085 1.00 0.00 N ATOM 0 H ASN A 28 6.123 2.419 -6.315 1.00 0.00 H new ATOM 0 HA ASN A 28 4.299 0.174 -6.566 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.046 1.551 -8.672 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.556 0.677 -8.968 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.605 4.298 -8.981 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.548 3.192 -9.984 1.00 0.00 H new ATOM 472 N ALA A 29 7.491 -0.401 -7.233 1.00 0.00 N ATOM 473 CA ALA A 29 8.468 -1.535 -7.389 1.00 0.00 C ATOM 474 C ALA A 29 8.372 -2.465 -6.186 1.00 0.00 C ATOM 475 O ALA A 29 8.465 -3.671 -6.316 1.00 0.00 O ATOM 476 CB ALA A 29 9.834 -0.891 -7.386 1.00 0.00 C ATOM 0 H ALA A 29 7.910 0.529 -7.209 1.00 0.00 H new ATOM 0 HA ALA A 29 8.274 -2.111 -8.294 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.599 -1.660 -7.496 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.906 -0.186 -8.214 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.985 -0.362 -6.445 1.00 0.00 H new ATOM 482 N PHE A 30 8.180 -1.896 -5.014 1.00 0.00 N ATOM 483 CA PHE A 30 8.058 -2.718 -3.781 1.00 0.00 C ATOM 484 C PHE A 30 6.842 -3.594 -3.856 1.00 0.00 C ATOM 485 O PHE A 30 6.922 -4.751 -3.559 1.00 0.00 O ATOM 486 CB PHE A 30 7.944 -1.734 -2.630 1.00 0.00 C ATOM 487 CG PHE A 30 9.322 -1.262 -2.247 1.00 0.00 C ATOM 488 CD1 PHE A 30 10.423 -2.122 -2.379 1.00 0.00 C ATOM 489 CD2 PHE A 30 9.499 0.018 -1.738 1.00 0.00 C ATOM 490 CE1 PHE A 30 11.680 -1.703 -2.009 1.00 0.00 C ATOM 491 CE2 PHE A 30 10.766 0.436 -1.358 1.00 0.00 C ATOM 492 CZ PHE A 30 11.857 -0.436 -1.494 1.00 0.00 C ATOM 0 H PHE A 30 8.103 -0.890 -4.867 1.00 0.00 H new ATOM 0 HA PHE A 30 8.916 -3.377 -3.651 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.323 -0.886 -2.920 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.458 -2.208 -1.777 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.283 -3.118 -2.773 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.655 0.684 -1.639 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.526 -2.365 -2.122 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.912 1.429 -0.959 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.843 -0.113 -1.193 1.00 0.00 H new ATOM 502 N ILE A 31 5.736 -3.065 -4.297 1.00 0.00 N ATOM 503 CA ILE A 31 4.519 -3.908 -4.450 1.00 0.00 C ATOM 504 C ILE A 31 4.802 -4.991 -5.506 1.00 0.00 C ATOM 505 O ILE A 31 4.299 -6.075 -5.391 1.00 0.00 O ATOM 506 CB ILE A 31 3.411 -2.933 -4.844 1.00 0.00 C ATOM 507 CG1 ILE A 31 3.159 -2.005 -3.651 1.00 0.00 C ATOM 508 CG2 ILE A 31 2.131 -3.693 -5.173 1.00 0.00 C ATOM 509 CD1 ILE A 31 2.605 -0.669 -4.115 1.00 0.00 C ATOM 0 H ILE A 31 5.622 -2.086 -4.558 1.00 0.00 H new ATOM 0 HA ILE A 31 4.223 -4.445 -3.549 1.00 0.00 H new ATOM 0 HB ILE A 31 3.710 -2.363 -5.724 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.458 -2.475 -2.961 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.088 -1.848 -3.104 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.350 -2.986 -5.452 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.316 -4.375 -6.002 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.811 -4.262 -4.300 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.434 -0.026 -3.251 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.319 -0.192 -4.786 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.664 -0.828 -4.641 1.00 0.00 H new ATOM 521 N GLN A 32 5.656 -4.729 -6.495 1.00 0.00 N ATOM 522 CA GLN A 32 6.000 -5.801 -7.498 1.00 0.00 C ATOM 523 C GLN A 32 6.859 -6.897 -6.820 1.00 0.00 C ATOM 524 O GLN A 32 6.586 -8.073 -6.960 1.00 0.00 O ATOM 525 CB GLN A 32 6.774 -5.090 -8.621 1.00 0.00 C ATOM 526 CG GLN A 32 5.816 -4.186 -9.408 1.00 0.00 C ATOM 527 CD GLN A 32 6.596 -3.373 -10.446 1.00 0.00 C ATOM 528 OE1 GLN A 32 6.981 -2.251 -10.188 1.00 0.00 O ATOM 529 NE2 GLN A 32 6.845 -3.892 -11.619 1.00 0.00 N ATOM 0 H GLN A 32 6.118 -3.832 -6.643 1.00 0.00 H new ATOM 0 HA GLN A 32 5.115 -6.298 -7.896 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.586 -4.498 -8.199 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.227 -5.825 -9.287 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.057 -4.791 -9.904 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.294 -3.515 -8.726 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.523 -4.835 -11.838 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.362 -3.355 -12.315 1.00 0.00 H new ATOM 538 N SER A 33 7.868 -6.504 -6.053 1.00 0.00 N ATOM 539 CA SER A 33 8.736 -7.500 -5.312 1.00 0.00 C ATOM 540 C SER A 33 7.980 -8.114 -4.108 1.00 0.00 C ATOM 541 O SER A 33 8.210 -9.246 -3.735 1.00 0.00 O ATOM 542 CB SER A 33 9.959 -6.700 -4.840 1.00 0.00 C ATOM 543 OG SER A 33 9.536 -5.530 -4.148 1.00 0.00 O ATOM 0 H SER A 33 8.128 -5.528 -5.909 1.00 0.00 H new ATOM 0 HA SER A 33 9.020 -8.337 -5.950 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.577 -7.316 -4.187 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.576 -6.424 -5.695 1.00 0.00 H new ATOM 0 HG SER A 33 8.567 -5.566 -4.006 1.00 0.00 H new ATOM 549 N LEU A 34 7.093 -7.352 -3.510 1.00 0.00 N ATOM 550 CA LEU A 34 6.296 -7.811 -2.322 1.00 0.00 C ATOM 551 C LEU A 34 5.127 -8.722 -2.749 1.00 0.00 C ATOM 552 O LEU A 34 4.883 -9.741 -2.126 1.00 0.00 O ATOM 553 CB LEU A 34 5.792 -6.484 -1.717 1.00 0.00 C ATOM 554 CG LEU A 34 5.015 -6.696 -0.421 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.967 -6.974 0.722 1.00 0.00 C ATOM 556 CD2 LEU A 34 4.236 -5.428 -0.102 1.00 0.00 C ATOM 0 H LEU A 34 6.881 -6.399 -3.806 1.00 0.00 H new ATOM 0 HA LEU A 34 6.873 -8.410 -1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.642 -5.829 -1.525 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.155 -5.976 -2.441 1.00 0.00 H new ATOM 0 HG LEU A 34 4.341 -7.544 -0.545 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.399 -7.123 1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.546 -7.871 0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.643 -6.128 0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.676 -5.568 0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.929 -4.595 0.016 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.544 -5.212 -0.916 1.00 0.00 H new ATOM 568 N LYS A 35 4.406 -8.354 -3.796 1.00 0.00 N ATOM 569 CA LYS A 35 3.240 -9.183 -4.272 1.00 0.00 C ATOM 570 C LYS A 35 3.706 -10.548 -4.809 1.00 0.00 C ATOM 571 O LYS A 35 2.999 -11.531 -4.681 1.00 0.00 O ATOM 572 CB LYS A 35 2.529 -8.347 -5.361 1.00 0.00 C ATOM 573 CG LYS A 35 1.465 -7.457 -4.716 1.00 0.00 C ATOM 574 CD LYS A 35 0.254 -7.281 -5.630 1.00 0.00 C ATOM 575 CE LYS A 35 -0.075 -8.588 -6.304 1.00 0.00 C ATOM 576 NZ LYS A 35 -1.552 -8.735 -6.223 1.00 0.00 N ATOM 0 H LYS A 35 4.578 -7.510 -4.342 1.00 0.00 H new ATOM 0 HA LYS A 35 2.556 -9.409 -3.454 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.255 -7.734 -5.894 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.068 -9.007 -6.096 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.147 -7.895 -3.770 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.895 -6.482 -4.487 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.602 -6.935 -5.051 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.461 -6.517 -6.380 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.260 -8.586 -7.341 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.427 -9.419 -5.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.848 -9.573 -6.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.836 -8.846 -5.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.007 -7.889 -6.620 1.00 0.00 H new ATOM 590 N ASP A 36 4.886 -10.619 -5.395 1.00 0.00 N ATOM 591 CA ASP A 36 5.394 -11.929 -5.924 1.00 0.00 C ATOM 592 C ASP A 36 6.331 -12.639 -4.912 1.00 0.00 C ATOM 593 O ASP A 36 6.479 -13.847 -4.971 1.00 0.00 O ATOM 594 CB ASP A 36 6.124 -11.577 -7.230 1.00 0.00 C ATOM 595 CG ASP A 36 5.098 -11.136 -8.289 1.00 0.00 C ATOM 596 OD1 ASP A 36 4.441 -12.001 -8.849 1.00 0.00 O ATOM 597 OD2 ASP A 36 4.975 -9.941 -8.511 1.00 0.00 O ATOM 0 H ASP A 36 5.515 -9.827 -5.528 1.00 0.00 H new ATOM 0 HA ASP A 36 4.581 -12.635 -6.094 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.845 -10.779 -7.052 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.685 -12.440 -7.589 1.00 0.00 H new ATOM 602 N ASP A 37 6.951 -11.915 -3.983 1.00 0.00 N ATOM 603 CA ASP A 37 7.857 -12.572 -2.973 1.00 0.00 C ATOM 604 C ASP A 37 7.368 -12.290 -1.530 1.00 0.00 C ATOM 605 O ASP A 37 7.632 -11.229 -0.986 1.00 0.00 O ATOM 606 CB ASP A 37 9.252 -11.969 -3.205 1.00 0.00 C ATOM 607 CG ASP A 37 10.326 -12.937 -2.690 1.00 0.00 C ATOM 608 OD1 ASP A 37 10.412 -13.118 -1.483 1.00 0.00 O ATOM 609 OD2 ASP A 37 11.043 -13.483 -3.510 1.00 0.00 O ATOM 0 H ASP A 37 6.864 -10.903 -3.887 1.00 0.00 H new ATOM 0 HA ASP A 37 7.867 -13.656 -3.091 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.403 -11.775 -4.267 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.335 -11.011 -2.691 1.00 0.00 H new ATOM 614 N PRO A 38 6.661 -13.256 -0.961 1.00 0.00 N ATOM 615 CA PRO A 38 6.124 -13.114 0.430 1.00 0.00 C ATOM 616 C PRO A 38 7.234 -13.116 1.507 1.00 0.00 C ATOM 617 O PRO A 38 7.134 -12.404 2.489 1.00 0.00 O ATOM 618 CB PRO A 38 5.224 -14.343 0.583 1.00 0.00 C ATOM 619 CG PRO A 38 5.775 -15.341 -0.373 1.00 0.00 C ATOM 620 CD PRO A 38 6.285 -14.557 -1.544 1.00 0.00 C ATOM 0 HA PRO A 38 5.608 -12.164 0.570 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.243 -14.722 1.605 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.186 -14.104 0.351 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.576 -15.920 0.087 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.007 -16.049 -0.683 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.139 -15.047 -2.012 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.521 -14.445 -2.313 1.00 0.00 H new ATOM 628 N SER A 39 8.269 -13.922 1.341 1.00 0.00 N ATOM 629 CA SER A 39 9.372 -13.990 2.372 1.00 0.00 C ATOM 630 C SER A 39 10.160 -12.674 2.466 1.00 0.00 C ATOM 631 O SER A 39 10.548 -12.274 3.550 1.00 0.00 O ATOM 632 CB SER A 39 10.293 -15.132 1.923 1.00 0.00 C ATOM 633 OG SER A 39 9.565 -16.357 1.918 1.00 0.00 O ATOM 0 H SER A 39 8.397 -14.535 0.536 1.00 0.00 H new ATOM 0 HA SER A 39 8.956 -14.161 3.365 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.686 -14.926 0.927 1.00 0.00 H new ATOM 0 HB3 SER A 39 11.149 -15.208 2.594 1.00 0.00 H new ATOM 0 HG SER A 39 9.150 -16.494 2.795 1.00 0.00 H new ATOM 639 N GLN A 40 10.392 -11.996 1.356 1.00 0.00 N ATOM 640 CA GLN A 40 11.151 -10.701 1.410 1.00 0.00 C ATOM 641 C GLN A 40 10.230 -9.520 1.773 1.00 0.00 C ATOM 642 O GLN A 40 10.677 -8.399 1.775 1.00 0.00 O ATOM 643 CB GLN A 40 11.726 -10.501 -0.006 1.00 0.00 C ATOM 644 CG GLN A 40 13.004 -9.654 0.061 1.00 0.00 C ATOM 645 CD GLN A 40 14.196 -10.540 0.438 1.00 0.00 C ATOM 646 OE1 GLN A 40 14.645 -10.521 1.565 1.00 0.00 O ATOM 647 NE2 GLN A 40 14.733 -11.321 -0.463 1.00 0.00 N ATOM 0 H GLN A 40 10.090 -12.283 0.425 1.00 0.00 H new ATOM 0 HA GLN A 40 11.927 -10.737 2.175 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.944 -11.468 -0.459 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.988 -10.011 -0.641 1.00 0.00 H new ATOM 0 HG2 GLN A 40 13.185 -9.176 -0.902 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.885 -8.857 0.795 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.358 -11.339 -1.411 1.00 0.00 H new ATOM 0 HE22 GLN A 40 15.527 -11.912 -0.217 1.00 0.00 H new ATOM 656 N SER A 41 8.952 -9.746 2.053 1.00 0.00 N ATOM 657 CA SER A 41 8.023 -8.601 2.369 1.00 0.00 C ATOM 658 C SER A 41 8.522 -7.730 3.531 1.00 0.00 C ATOM 659 O SER A 41 8.537 -6.519 3.402 1.00 0.00 O ATOM 660 CB SER A 41 6.668 -9.240 2.703 1.00 0.00 C ATOM 661 OG SER A 41 6.759 -9.998 3.908 1.00 0.00 O ATOM 0 H SER A 41 8.520 -10.670 2.075 1.00 0.00 H new ATOM 0 HA SER A 41 7.958 -7.924 1.517 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.910 -8.464 2.810 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.351 -9.885 1.883 1.00 0.00 H new ATOM 0 HG SER A 41 6.883 -10.945 3.690 1.00 0.00 H new ATOM 667 N ALA A 42 8.950 -8.304 4.643 1.00 0.00 N ATOM 668 CA ALA A 42 9.474 -7.435 5.756 1.00 0.00 C ATOM 669 C ALA A 42 10.712 -6.689 5.262 1.00 0.00 C ATOM 670 O ALA A 42 10.819 -5.492 5.427 1.00 0.00 O ATOM 671 CB ALA A 42 9.897 -8.361 6.863 1.00 0.00 C ATOM 0 H ALA A 42 8.959 -9.308 4.823 1.00 0.00 H new ATOM 0 HA ALA A 42 8.720 -6.721 6.087 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.286 -7.777 7.697 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.039 -8.944 7.197 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.673 -9.034 6.498 1.00 0.00 H new ATOM 677 N ASN A 43 11.622 -7.407 4.616 1.00 0.00 N ATOM 678 CA ASN A 43 12.846 -6.770 4.037 1.00 0.00 C ATOM 679 C ASN A 43 12.427 -5.675 3.075 1.00 0.00 C ATOM 680 O ASN A 43 13.058 -4.660 3.006 1.00 0.00 O ATOM 681 CB ASN A 43 13.555 -7.856 3.237 1.00 0.00 C ATOM 682 CG ASN A 43 14.683 -8.471 4.067 1.00 0.00 C ATOM 683 OD1 ASN A 43 14.603 -9.616 4.463 1.00 0.00 O ATOM 684 ND2 ASN A 43 15.738 -7.756 4.352 1.00 0.00 N ATOM 0 H ASN A 43 11.558 -8.414 4.470 1.00 0.00 H new ATOM 0 HA ASN A 43 13.481 -6.350 4.817 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.843 -8.629 2.948 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.959 -7.435 2.316 1.00 0.00 H new ATOM 0 HD21 ASN A 43 16.493 -8.160 4.906 1.00 0.00 H new ATOM 0 HD22 ASN A 43 15.807 -6.794 4.020 1.00 0.00 H new ATOM 691 N LEU A 44 11.347 -5.896 2.344 1.00 0.00 N ATOM 692 CA LEU A 44 10.839 -4.873 1.382 1.00 0.00 C ATOM 693 C LEU A 44 10.387 -3.657 2.120 1.00 0.00 C ATOM 694 O LEU A 44 10.694 -2.556 1.719 1.00 0.00 O ATOM 695 CB LEU A 44 9.691 -5.517 0.644 1.00 0.00 C ATOM 696 CG LEU A 44 10.286 -6.434 -0.392 1.00 0.00 C ATOM 697 CD1 LEU A 44 9.165 -7.207 -1.052 1.00 0.00 C ATOM 698 CD2 LEU A 44 11.063 -5.578 -1.395 1.00 0.00 C ATOM 0 H LEU A 44 10.797 -6.754 2.381 1.00 0.00 H new ATOM 0 HA LEU A 44 11.615 -4.554 0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.056 -6.075 1.332 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.063 -4.760 0.173 1.00 0.00 H new ATOM 0 HG LEU A 44 10.974 -7.154 0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.579 -7.877 -1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.634 -7.791 -0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.473 -6.511 -1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.504 -6.221 -2.157 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.386 -4.867 -1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.853 -5.036 -0.875 1.00 0.00 H new ATOM 710 N LEU A 45 9.710 -3.831 3.227 1.00 0.00 N ATOM 711 CA LEU A 45 9.340 -2.630 4.003 1.00 0.00 C ATOM 712 C LEU A 45 10.625 -2.043 4.588 1.00 0.00 C ATOM 713 O LEU A 45 10.825 -0.865 4.534 1.00 0.00 O ATOM 714 CB LEU A 45 8.383 -3.067 5.086 1.00 0.00 C ATOM 715 CG LEU A 45 8.196 -1.927 6.084 1.00 0.00 C ATOM 716 CD1 LEU A 45 7.891 -0.608 5.340 1.00 0.00 C ATOM 717 CD2 LEU A 45 7.055 -2.295 7.019 1.00 0.00 C ATOM 0 H LEU A 45 9.409 -4.727 3.611 1.00 0.00 H new ATOM 0 HA LEU A 45 8.855 -1.867 3.393 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.424 -3.344 4.649 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.769 -3.951 5.594 1.00 0.00 H new ATOM 0 HG LEU A 45 9.109 -1.778 6.660 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.760 0.196 6.064 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.720 -0.366 4.674 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.978 -0.723 4.756 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.904 -1.493 7.742 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.143 -2.439 6.440 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.300 -3.217 7.546 1.00 0.00 H new ATOM 729 N ALA A 46 11.508 -2.870 5.114 1.00 0.00 N ATOM 730 CA ALA A 46 12.813 -2.347 5.658 1.00 0.00 C ATOM 731 C ALA A 46 13.570 -1.581 4.576 1.00 0.00 C ATOM 732 O ALA A 46 14.044 -0.504 4.825 1.00 0.00 O ATOM 733 CB ALA A 46 13.631 -3.572 6.010 1.00 0.00 C ATOM 0 H ALA A 46 11.383 -3.879 5.190 1.00 0.00 H new ATOM 0 HA ALA A 46 12.640 -1.684 6.506 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.595 -3.262 6.413 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.099 -4.163 6.756 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.788 -4.174 5.115 1.00 0.00 H new ATOM 739 N GLU A 47 13.666 -2.130 3.371 1.00 0.00 N ATOM 740 CA GLU A 47 14.369 -1.407 2.269 1.00 0.00 C ATOM 741 C GLU A 47 13.520 -0.206 1.854 1.00 0.00 C ATOM 742 O GLU A 47 14.060 0.841 1.574 1.00 0.00 O ATOM 743 CB GLU A 47 14.639 -2.401 1.119 1.00 0.00 C ATOM 744 CG GLU A 47 13.382 -3.007 0.556 1.00 0.00 C ATOM 745 CD GLU A 47 13.772 -4.199 -0.327 1.00 0.00 C ATOM 746 OE1 GLU A 47 13.879 -5.295 0.205 1.00 0.00 O ATOM 747 OE2 GLU A 47 13.975 -4.002 -1.512 1.00 0.00 O ATOM 0 H GLU A 47 13.286 -3.042 3.117 1.00 0.00 H new ATOM 0 HA GLU A 47 15.337 -1.018 2.586 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.177 -1.888 0.322 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.289 -3.198 1.480 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.724 -3.331 1.362 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.832 -2.267 -0.026 1.00 0.00 H new ATOM 754 N ALA A 48 12.196 -0.318 1.876 1.00 0.00 N ATOM 755 CA ALA A 48 11.350 0.863 1.572 1.00 0.00 C ATOM 756 C ALA A 48 11.532 1.926 2.666 1.00 0.00 C ATOM 757 O ALA A 48 11.602 3.103 2.380 1.00 0.00 O ATOM 758 CB ALA A 48 9.938 0.316 1.601 1.00 0.00 C ATOM 0 H ALA A 48 11.686 -1.175 2.091 1.00 0.00 H new ATOM 0 HA ALA A 48 11.598 1.335 0.621 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.232 1.119 1.386 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.836 -0.467 0.850 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.728 -0.097 2.588 1.00 0.00 H new ATOM 764 N LYS A 49 11.661 1.496 3.913 1.00 0.00 N ATOM 765 CA LYS A 49 11.898 2.440 5.047 1.00 0.00 C ATOM 766 C LYS A 49 13.331 2.960 4.929 1.00 0.00 C ATOM 767 O LYS A 49 13.605 4.130 5.103 1.00 0.00 O ATOM 768 CB LYS A 49 11.681 1.594 6.302 1.00 0.00 C ATOM 769 CG LYS A 49 10.263 1.859 6.803 1.00 0.00 C ATOM 770 CD LYS A 49 9.702 0.595 7.427 1.00 0.00 C ATOM 771 CE LYS A 49 10.199 0.488 8.860 1.00 0.00 C ATOM 772 NZ LYS A 49 9.488 -0.689 9.445 1.00 0.00 N ATOM 0 H LYS A 49 11.610 0.514 4.185 1.00 0.00 H new ATOM 0 HA LYS A 49 11.242 3.310 5.063 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.816 0.536 6.078 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.412 1.853 7.068 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.270 2.667 7.535 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.629 2.182 5.978 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.612 0.617 7.407 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.014 -0.278 6.854 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.280 0.348 8.891 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.979 1.397 9.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.786 -0.819 10.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.461 -0.526 9.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.721 -1.542 8.898 1.00 0.00 H new ATOM 786 N LYS A 50 14.218 2.072 4.534 1.00 0.00 N ATOM 787 CA LYS A 50 15.645 2.426 4.269 1.00 0.00 C ATOM 788 C LYS A 50 15.658 3.488 3.152 1.00 0.00 C ATOM 789 O LYS A 50 16.425 4.431 3.194 1.00 0.00 O ATOM 790 CB LYS A 50 16.253 1.080 3.815 1.00 0.00 C ATOM 791 CG LYS A 50 17.511 1.243 2.956 1.00 0.00 C ATOM 792 CD LYS A 50 17.599 0.050 1.987 1.00 0.00 C ATOM 793 CE LYS A 50 18.039 -1.210 2.751 1.00 0.00 C ATOM 794 NZ LYS A 50 18.266 -2.252 1.704 1.00 0.00 N ATOM 0 H LYS A 50 14.000 1.087 4.381 1.00 0.00 H new ATOM 0 HA LYS A 50 16.198 2.845 5.110 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.497 0.484 4.695 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.505 0.523 3.250 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.472 2.180 2.401 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.398 1.284 3.588 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.631 -0.119 1.515 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.309 0.269 1.189 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.948 -1.025 3.324 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.274 -1.526 3.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.569 -3.138 2.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.383 -2.415 1.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.005 -1.929 1.047 1.00 0.00 H new ATOM 808 N LEU A 51 14.768 3.341 2.180 1.00 0.00 N ATOM 809 CA LEU A 51 14.657 4.335 1.069 1.00 0.00 C ATOM 810 C LEU A 51 13.999 5.613 1.584 1.00 0.00 C ATOM 811 O LEU A 51 14.397 6.696 1.228 1.00 0.00 O ATOM 812 CB LEU A 51 13.753 3.670 0.017 1.00 0.00 C ATOM 813 CG LEU A 51 14.569 3.063 -1.132 1.00 0.00 C ATOM 814 CD1 LEU A 51 15.925 2.543 -0.643 1.00 0.00 C ATOM 815 CD2 LEU A 51 13.789 1.896 -1.722 1.00 0.00 C ATOM 0 H LEU A 51 14.112 2.562 2.119 1.00 0.00 H new ATOM 0 HA LEU A 51 15.631 4.603 0.660 1.00 0.00 H new ATOM 0 HB2 LEU A 51 13.156 2.890 0.491 1.00 0.00 H new ATOM 0 HB3 LEU A 51 13.056 4.407 -0.382 1.00 0.00 H new ATOM 0 HG LEU A 51 14.743 3.840 -1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.477 2.120 -1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.496 3.365 -0.211 1.00 0.00 H new ATOM 0 HD13 LEU A 51 15.768 1.774 0.113 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.358 1.455 -2.540 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.620 1.144 -0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.830 2.252 -2.098 1.00 0.00 H new ATOM 827 N ASN A 52 12.999 5.482 2.430 1.00 0.00 N ATOM 828 CA ASN A 52 12.303 6.681 2.989 1.00 0.00 C ATOM 829 C ASN A 52 13.311 7.548 3.774 1.00 0.00 C ATOM 830 O ASN A 52 13.291 8.753 3.669 1.00 0.00 O ATOM 831 CB ASN A 52 11.138 6.121 3.862 1.00 0.00 C ATOM 832 CG ASN A 52 11.293 6.463 5.356 1.00 0.00 C ATOM 833 OD1 ASN A 52 11.541 5.595 6.167 1.00 0.00 O ATOM 834 ND2 ASN A 52 11.141 7.692 5.754 1.00 0.00 N ATOM 0 H ASN A 52 12.636 4.587 2.757 1.00 0.00 H new ATOM 0 HA ASN A 52 11.894 7.341 2.224 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.192 6.523 3.498 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.090 5.038 3.745 1.00 0.00 H new ATOM 0 HD21 ASN A 52 11.230 7.922 6.744 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.932 8.425 5.076 1.00 0.00 H new ATOM 841 N ASP A 53 14.197 6.938 4.536 1.00 0.00 N ATOM 842 CA ASP A 53 15.215 7.734 5.308 1.00 0.00 C ATOM 843 C ASP A 53 16.383 8.174 4.404 1.00 0.00 C ATOM 844 O ASP A 53 16.870 9.284 4.524 1.00 0.00 O ATOM 845 CB ASP A 53 15.720 6.808 6.421 1.00 0.00 C ATOM 846 CG ASP A 53 14.567 6.402 7.362 1.00 0.00 C ATOM 847 OD1 ASP A 53 13.814 7.273 7.779 1.00 0.00 O ATOM 848 OD2 ASP A 53 14.460 5.223 7.654 1.00 0.00 O ATOM 0 H ASP A 53 14.259 5.927 4.656 1.00 0.00 H new ATOM 0 HA ASP A 53 14.773 8.646 5.710 1.00 0.00 H new ATOM 0 HB2 ASP A 53 16.169 5.916 5.983 1.00 0.00 H new ATOM 0 HB3 ASP A 53 16.501 7.310 6.992 1.00 0.00 H new ATOM 853 N ALA A 54 16.832 7.312 3.502 1.00 0.00 N ATOM 854 CA ALA A 54 17.968 7.682 2.582 1.00 0.00 C ATOM 855 C ALA A 54 17.504 8.759 1.587 1.00 0.00 C ATOM 856 O ALA A 54 18.132 9.795 1.454 1.00 0.00 O ATOM 857 CB ALA A 54 18.341 6.389 1.849 1.00 0.00 C ATOM 0 H ALA A 54 16.459 6.372 3.367 1.00 0.00 H new ATOM 0 HA ALA A 54 18.821 8.091 3.124 1.00 0.00 H new ATOM 0 HB1 ALA A 54 19.163 6.585 1.161 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.646 5.635 2.574 1.00 0.00 H new ATOM 0 HB3 ALA A 54 17.479 6.026 1.290 1.00 0.00 H new ATOM 863 N GLN A 55 16.386 8.527 0.924 1.00 0.00 N ATOM 864 CA GLN A 55 15.824 9.540 -0.039 1.00 0.00 C ATOM 865 C GLN A 55 15.352 10.798 0.724 1.00 0.00 C ATOM 866 O GLN A 55 15.292 11.875 0.156 1.00 0.00 O ATOM 867 CB GLN A 55 14.633 8.870 -0.736 1.00 0.00 C ATOM 868 CG GLN A 55 15.109 7.671 -1.578 1.00 0.00 C ATOM 869 CD GLN A 55 13.915 7.072 -2.328 1.00 0.00 C ATOM 870 OE1 GLN A 55 12.870 6.676 -1.656 1.00 0.00 O flip ATOM 871 NE2 GLN A 55 13.932 6.971 -3.536 1.00 0.00 N flip ATOM 0 H GLN A 55 15.836 7.672 1.010 1.00 0.00 H new ATOM 0 HA GLN A 55 16.578 9.854 -0.761 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.909 8.536 0.007 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.124 9.592 -1.375 1.00 0.00 H new ATOM 0 HG2 GLN A 55 15.874 7.990 -2.285 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.564 6.918 -0.934 1.00 0.00 H new ATOM 0 HE21 GLN A 55 14.749 7.281 -4.062 1.00 0.00 H new ATOM 0 HE22 GLN A 55 13.129 6.576 -4.026 1.00 0.00 H new ATOM 880 N ALA A 56 15.010 10.658 2.005 1.00 0.00 N ATOM 881 CA ALA A 56 14.528 11.831 2.820 1.00 0.00 C ATOM 882 C ALA A 56 15.551 12.974 2.847 1.00 0.00 C ATOM 883 O ALA A 56 16.742 12.750 2.699 1.00 0.00 O ATOM 884 CB ALA A 56 14.336 11.322 4.251 1.00 0.00 C ATOM 0 H ALA A 56 15.048 9.775 2.514 1.00 0.00 H new ATOM 0 HA ALA A 56 13.610 12.221 2.381 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.986 12.138 4.883 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.600 10.518 4.256 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.285 10.947 4.634 1.00 0.00 H new ATOM 890 N PRO A 57 15.033 14.173 3.055 1.00 0.00 N ATOM 891 CA PRO A 57 15.892 15.385 3.126 1.00 0.00 C ATOM 892 C PRO A 57 16.621 15.450 4.491 1.00 0.00 C ATOM 893 O PRO A 57 16.310 16.269 5.342 1.00 0.00 O ATOM 894 CB PRO A 57 14.891 16.529 2.978 1.00 0.00 C ATOM 895 CG PRO A 57 13.602 15.978 3.491 1.00 0.00 C ATOM 896 CD PRO A 57 13.607 14.503 3.222 1.00 0.00 C ATOM 0 HA PRO A 57 16.676 15.410 2.369 1.00 0.00 H new ATOM 0 HB2 PRO A 57 15.203 17.403 3.549 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.801 16.843 1.938 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.499 16.173 4.558 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.756 16.456 2.996 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.163 13.946 4.047 1.00 0.00 H new ATOM 0 HD3 PRO A 57 13.034 14.259 2.327 1.00 0.00 H new ATOM 904 N LYS A 58 17.583 14.581 4.691 1.00 0.00 N ATOM 905 CA LYS A 58 18.350 14.553 5.986 1.00 0.00 C ATOM 906 C LYS A 58 19.780 15.081 5.775 1.00 0.00 C ATOM 907 O LYS A 58 20.172 15.970 6.515 1.00 0.00 O ATOM 908 CB LYS A 58 18.372 13.077 6.421 1.00 0.00 C ATOM 909 CG LYS A 58 16.949 12.608 6.752 1.00 0.00 C ATOM 910 CD LYS A 58 16.995 11.181 7.308 1.00 0.00 C ATOM 911 CE LYS A 58 15.567 10.657 7.507 1.00 0.00 C ATOM 912 NZ LYS A 58 15.674 9.577 8.536 1.00 0.00 N ATOM 913 OXT LYS A 58 20.461 14.595 4.879 1.00 0.00 O ATOM 0 H LYS A 58 17.875 13.882 4.008 1.00 0.00 H new ATOM 0 HA LYS A 58 17.890 15.187 6.744 1.00 0.00 H new ATOM 0 HB2 LYS A 58 18.791 12.461 5.626 1.00 0.00 H new ATOM 0 HB3 LYS A 58 19.016 12.955 7.292 1.00 0.00 H new ATOM 0 HG2 LYS A 58 16.494 13.279 7.481 1.00 0.00 H new ATOM 0 HG3 LYS A 58 16.327 12.641 5.857 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.539 10.531 6.623 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.533 11.167 8.256 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.901 11.452 7.841 1.00 0.00 H new ATOM 0 HE3 LYS A 58 15.158 10.270 6.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.001 8.816 8.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 16.641 9.194 8.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 15.455 9.968 9.474 1.00 0.00 H new TER 927 LYS A 58 ATOM 928 N VAL B 1 -3.576 -18.728 -12.739 1.00 0.00 N ATOM 929 CA VAL B 1 -3.641 -17.324 -12.201 1.00 0.00 C ATOM 930 C VAL B 1 -2.428 -17.052 -11.286 1.00 0.00 C ATOM 931 O VAL B 1 -1.975 -17.926 -10.566 1.00 0.00 O ATOM 932 CB VAL B 1 -4.966 -17.232 -11.405 1.00 0.00 C ATOM 933 CG1 VAL B 1 -5.060 -15.877 -10.688 1.00 0.00 C ATOM 934 CG2 VAL B 1 -6.162 -17.367 -12.360 1.00 0.00 C ATOM 0 H1 VAL B 1 -4.130 -18.789 -13.617 1.00 0.00 H new ATOM 0 H2 VAL B 1 -2.586 -18.979 -12.936 1.00 0.00 H new ATOM 0 H3 VAL B 1 -3.967 -19.388 -12.036 1.00 0.00 H new ATOM 0 HA VAL B 1 -3.613 -16.582 -12.999 1.00 0.00 H new ATOM 0 HB VAL B 1 -4.984 -18.038 -10.671 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -5.996 -15.824 -10.132 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -4.222 -15.771 -9.999 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -5.029 -15.073 -11.424 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -7.090 -17.301 -11.792 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -6.131 -16.566 -13.098 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -6.115 -18.330 -12.868 1.00 0.00 H new ATOM 946 N ASP B 2 -1.916 -15.837 -11.318 1.00 0.00 N ATOM 947 CA ASP B 2 -0.735 -15.466 -10.459 1.00 0.00 C ATOM 948 C ASP B 2 -1.043 -14.217 -9.611 1.00 0.00 C ATOM 949 O ASP B 2 -2.094 -13.609 -9.746 1.00 0.00 O ATOM 950 CB ASP B 2 0.433 -15.195 -11.439 1.00 0.00 C ATOM 951 CG ASP B 2 0.027 -14.203 -12.550 1.00 0.00 C ATOM 952 OD1 ASP B 2 -0.306 -13.071 -12.235 1.00 0.00 O ATOM 953 OD2 ASP B 2 0.072 -14.594 -13.704 1.00 0.00 O ATOM 0 H ASP B 2 -2.268 -15.082 -11.906 1.00 0.00 H new ATOM 0 HA ASP B 2 -0.488 -16.262 -9.757 1.00 0.00 H new ATOM 0 HB2 ASP B 2 1.285 -14.796 -10.888 1.00 0.00 H new ATOM 0 HB3 ASP B 2 0.756 -16.134 -11.889 1.00 0.00 H new ATOM 958 N ASN B 3 -0.123 -13.827 -8.749 1.00 0.00 N ATOM 959 CA ASN B 3 -0.341 -12.608 -7.899 1.00 0.00 C ATOM 960 C ASN B 3 0.526 -11.448 -8.430 1.00 0.00 C ATOM 961 O ASN B 3 1.356 -10.893 -7.723 1.00 0.00 O ATOM 962 CB ASN B 3 0.064 -13.033 -6.476 1.00 0.00 C ATOM 963 CG ASN B 3 -0.540 -12.066 -5.449 1.00 0.00 C ATOM 964 OD1 ASN B 3 0.175 -11.382 -4.748 1.00 0.00 O ATOM 965 ND2 ASN B 3 -1.841 -11.977 -5.325 1.00 0.00 N ATOM 0 H ASN B 3 0.767 -14.302 -8.600 1.00 0.00 H new ATOM 0 HA ASN B 3 -1.371 -12.252 -7.914 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -0.280 -14.048 -6.279 1.00 0.00 H new ATOM 0 HB3 ASN B 3 1.150 -13.042 -6.385 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -2.246 -11.336 -4.643 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -2.449 -12.549 -5.911 1.00 0.00 H new ATOM 972 N LYS B 4 0.319 -11.075 -9.680 1.00 0.00 N ATOM 973 CA LYS B 4 1.099 -9.943 -10.296 1.00 0.00 C ATOM 974 C LYS B 4 0.240 -8.657 -10.377 1.00 0.00 C ATOM 975 O LYS B 4 0.552 -7.750 -11.131 1.00 0.00 O ATOM 976 CB LYS B 4 1.486 -10.434 -11.699 1.00 0.00 C ATOM 977 CG LYS B 4 2.435 -11.634 -11.588 1.00 0.00 C ATOM 978 CD LYS B 4 2.838 -12.103 -12.987 1.00 0.00 C ATOM 979 CE LYS B 4 3.617 -13.422 -12.881 1.00 0.00 C ATOM 980 NZ LYS B 4 3.279 -14.190 -14.119 1.00 0.00 N ATOM 0 H LYS B 4 -0.362 -11.510 -10.303 1.00 0.00 H new ATOM 0 HA LYS B 4 1.975 -9.686 -9.701 1.00 0.00 H new ATOM 0 HB2 LYS B 4 0.592 -10.716 -12.255 1.00 0.00 H new ATOM 0 HB3 LYS B 4 1.966 -9.629 -12.256 1.00 0.00 H new ATOM 0 HG2 LYS B 4 3.321 -11.357 -11.017 1.00 0.00 H new ATOM 0 HG3 LYS B 4 1.948 -12.446 -11.048 1.00 0.00 H new ATOM 0 HD2 LYS B 4 1.951 -12.241 -13.605 1.00 0.00 H new ATOM 0 HD3 LYS B 4 3.451 -11.344 -13.474 1.00 0.00 H new ATOM 0 HE2 LYS B 4 4.689 -13.239 -12.814 1.00 0.00 H new ATOM 0 HE3 LYS B 4 3.331 -13.975 -11.986 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 3.805 -15.087 -14.125 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 2.258 -14.387 -14.137 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 3.539 -13.630 -14.956 1.00 0.00 H new ATOM 994 N PHE B 5 -0.826 -8.568 -9.592 1.00 0.00 N ATOM 995 CA PHE B 5 -1.706 -7.352 -9.591 1.00 0.00 C ATOM 996 C PHE B 5 -1.087 -6.298 -8.643 1.00 0.00 C ATOM 997 O PHE B 5 -1.675 -5.906 -7.648 1.00 0.00 O ATOM 998 CB PHE B 5 -3.060 -7.873 -9.068 1.00 0.00 C ATOM 999 CG PHE B 5 -3.659 -8.854 -10.056 1.00 0.00 C ATOM 1000 CD1 PHE B 5 -4.371 -8.390 -11.167 1.00 0.00 C ATOM 1001 CD2 PHE B 5 -3.494 -10.233 -9.860 1.00 0.00 C ATOM 1002 CE1 PHE B 5 -4.912 -9.295 -12.079 1.00 0.00 C ATOM 1003 CE2 PHE B 5 -4.038 -11.140 -10.773 1.00 0.00 C ATOM 1004 CZ PHE B 5 -4.747 -10.671 -11.884 1.00 0.00 C ATOM 0 H PHE B 5 -1.120 -9.301 -8.946 1.00 0.00 H new ATOM 0 HA PHE B 5 -1.817 -6.875 -10.565 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -2.923 -8.357 -8.101 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -3.744 -7.039 -8.913 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -4.502 -7.329 -11.319 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -2.946 -10.594 -9.002 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -5.459 -8.934 -12.937 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -3.911 -12.202 -10.621 1.00 0.00 H new ATOM 0 HZ PHE B 5 -5.167 -11.371 -12.591 1.00 0.00 H new ATOM 1014 N ASN B 6 0.123 -5.869 -8.956 1.00 0.00 N ATOM 1015 CA ASN B 6 0.859 -4.866 -8.099 1.00 0.00 C ATOM 1016 C ASN B 6 0.883 -3.460 -8.716 1.00 0.00 C ATOM 1017 O ASN B 6 0.992 -2.477 -8.003 1.00 0.00 O ATOM 1018 CB ASN B 6 2.299 -5.415 -7.909 1.00 0.00 C ATOM 1019 CG ASN B 6 2.876 -5.993 -9.216 1.00 0.00 C ATOM 1020 OD1 ASN B 6 2.928 -5.319 -10.227 1.00 0.00 O ATOM 1021 ND2 ASN B 6 3.305 -7.227 -9.238 1.00 0.00 N ATOM 0 H ASN B 6 0.639 -6.176 -9.781 1.00 0.00 H new ATOM 0 HA ASN B 6 0.345 -4.751 -7.145 1.00 0.00 H new ATOM 0 HB2 ASN B 6 2.947 -4.616 -7.550 1.00 0.00 H new ATOM 0 HB3 ASN B 6 2.293 -6.190 -7.142 1.00 0.00 H new ATOM 0 HD21 ASN B 6 3.681 -7.621 -10.100 1.00 0.00 H new ATOM 0 HD22 ASN B 6 3.264 -7.796 -8.393 1.00 0.00 H new ATOM 1028 N LYS B 7 0.748 -3.350 -10.018 1.00 0.00 N ATOM 1029 CA LYS B 7 0.723 -1.995 -10.679 1.00 0.00 C ATOM 1030 C LYS B 7 -0.516 -1.238 -10.211 1.00 0.00 C ATOM 1031 O LYS B 7 -0.493 -0.038 -10.011 1.00 0.00 O ATOM 1032 CB LYS B 7 0.650 -2.277 -12.181 1.00 0.00 C ATOM 1033 CG LYS B 7 0.837 -0.975 -12.969 1.00 0.00 C ATOM 1034 CD LYS B 7 0.712 -1.261 -14.470 1.00 0.00 C ATOM 1035 CE LYS B 7 1.048 0.008 -15.270 1.00 0.00 C ATOM 1036 NZ LYS B 7 2.513 -0.072 -15.562 1.00 0.00 N ATOM 0 H LYS B 7 0.654 -4.140 -10.656 1.00 0.00 H new ATOM 0 HA LYS B 7 1.595 -1.388 -10.434 1.00 0.00 H new ATOM 0 HB2 LYS B 7 1.420 -2.996 -12.462 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -0.312 -2.727 -12.429 1.00 0.00 H new ATOM 0 HG2 LYS B 7 0.089 -0.243 -12.664 1.00 0.00 H new ATOM 0 HG3 LYS B 7 1.814 -0.543 -12.751 1.00 0.00 H new ATOM 0 HD2 LYS B 7 1.386 -2.070 -14.753 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -0.300 -1.592 -14.704 1.00 0.00 H new ATOM 0 HE2 LYS B 7 0.467 0.055 -16.191 1.00 0.00 H new ATOM 0 HE3 LYS B 7 0.811 0.905 -14.698 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 2.805 0.765 -16.106 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 3.044 -0.107 -14.668 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 2.710 -0.930 -16.115 1.00 0.00 H new ATOM 1050 N GLU B 8 -1.585 -1.959 -10.024 1.00 0.00 N ATOM 1051 CA GLU B 8 -2.849 -1.348 -9.544 1.00 0.00 C ATOM 1052 C GLU B 8 -2.738 -0.943 -8.070 1.00 0.00 C ATOM 1053 O GLU B 8 -3.359 0.014 -7.671 1.00 0.00 O ATOM 1054 CB GLU B 8 -3.933 -2.401 -9.788 1.00 0.00 C ATOM 1055 CG GLU B 8 -3.673 -3.674 -8.980 1.00 0.00 C ATOM 1056 CD GLU B 8 -4.267 -4.852 -9.749 1.00 0.00 C ATOM 1057 OE1 GLU B 8 -3.663 -5.249 -10.732 1.00 0.00 O ATOM 1058 OE2 GLU B 8 -5.319 -5.328 -9.357 1.00 0.00 O ATOM 0 H GLU B 8 -1.634 -2.965 -10.187 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.088 -0.425 -10.073 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -4.907 -1.991 -9.519 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -3.972 -2.645 -10.850 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -2.603 -3.818 -8.830 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -4.126 -3.597 -7.992 1.00 0.00 H new ATOM 1065 N LEU B 9 -1.914 -1.607 -7.277 1.00 0.00 N ATOM 1066 CA LEU B 9 -1.754 -1.164 -5.849 1.00 0.00 C ATOM 1067 C LEU B 9 -0.945 0.128 -5.815 1.00 0.00 C ATOM 1068 O LEU B 9 -1.054 0.907 -4.889 1.00 0.00 O ATOM 1069 CB LEU B 9 -0.992 -2.216 -5.048 1.00 0.00 C ATOM 1070 CG LEU B 9 -1.544 -3.626 -5.253 1.00 0.00 C ATOM 1071 CD1 LEU B 9 -0.556 -4.629 -4.628 1.00 0.00 C ATOM 1072 CD2 LEU B 9 -2.910 -3.720 -4.555 1.00 0.00 C ATOM 0 H LEU B 9 -1.359 -2.417 -7.552 1.00 0.00 H new ATOM 0 HA LEU B 9 -2.744 -1.018 -5.417 1.00 0.00 H new ATOM 0 HB2 LEU B 9 0.059 -2.196 -5.337 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.036 -1.963 -3.989 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.665 -3.850 -6.313 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -0.932 -5.643 -4.764 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.415 -4.534 -5.114 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.451 -4.421 -3.563 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.320 -4.721 -4.691 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.789 -3.519 -3.491 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -3.591 -2.987 -4.988 1.00 0.00 H new ATOM 1084 N SER B 10 -0.141 0.368 -6.830 1.00 0.00 N ATOM 1085 CA SER B 10 0.655 1.619 -6.880 1.00 0.00 C ATOM 1086 C SER B 10 -0.335 2.806 -6.930 1.00 0.00 C ATOM 1087 O SER B 10 -0.250 3.740 -6.147 1.00 0.00 O ATOM 1088 CB SER B 10 1.476 1.487 -8.179 1.00 0.00 C ATOM 1089 OG SER B 10 1.421 2.691 -8.944 1.00 0.00 O ATOM 0 H SER B 10 -0.009 -0.258 -7.624 1.00 0.00 H new ATOM 0 HA SER B 10 1.310 1.783 -6.025 1.00 0.00 H new ATOM 0 HB2 SER B 10 2.513 1.253 -7.936 1.00 0.00 H new ATOM 0 HB3 SER B 10 1.093 0.657 -8.773 1.00 0.00 H new ATOM 0 HG SER B 10 1.812 2.535 -9.829 1.00 0.00 H new ATOM 1095 N VAL B 11 -1.289 2.734 -7.844 1.00 0.00 N ATOM 1096 CA VAL B 11 -2.317 3.820 -8.004 1.00 0.00 C ATOM 1097 C VAL B 11 -3.453 3.653 -6.977 1.00 0.00 C ATOM 1098 O VAL B 11 -3.732 4.555 -6.208 1.00 0.00 O ATOM 1099 CB VAL B 11 -2.849 3.656 -9.450 1.00 0.00 C ATOM 1100 CG1 VAL B 11 -3.703 4.868 -9.831 1.00 0.00 C ATOM 1101 CG2 VAL B 11 -1.680 3.525 -10.442 1.00 0.00 C ATOM 0 H VAL B 11 -1.396 1.955 -8.493 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.896 4.811 -7.834 1.00 0.00 H new ATOM 0 HB VAL B 11 -3.456 2.752 -9.494 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -4.074 4.746 -10.849 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -4.546 4.949 -9.145 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -3.098 5.773 -9.771 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -2.072 3.411 -11.453 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -1.059 4.419 -10.393 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -1.080 2.652 -10.184 1.00 0.00 H new ATOM 1111 N ALA B 12 -4.100 2.501 -6.971 1.00 0.00 N ATOM 1112 CA ALA B 12 -5.228 2.240 -6.006 1.00 0.00 C ATOM 1113 C ALA B 12 -4.748 2.288 -4.559 1.00 0.00 C ATOM 1114 O ALA B 12 -5.393 2.860 -3.709 1.00 0.00 O ATOM 1115 CB ALA B 12 -5.739 0.822 -6.333 1.00 0.00 C ATOM 0 H ALA B 12 -3.892 1.725 -7.599 1.00 0.00 H new ATOM 0 HA ALA B 12 -6.004 2.998 -6.108 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -6.562 0.569 -5.665 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -6.086 0.790 -7.366 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -4.930 0.104 -6.200 1.00 0.00 H new ATOM 1121 N GLY B 13 -3.623 1.688 -4.293 1.00 0.00 N ATOM 1122 CA GLY B 13 -3.064 1.644 -2.916 1.00 0.00 C ATOM 1123 C GLY B 13 -2.677 3.030 -2.428 1.00 0.00 C ATOM 1124 O GLY B 13 -3.155 3.469 -1.402 1.00 0.00 O ATOM 0 H GLY B 13 -3.053 1.213 -4.993 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -3.799 1.210 -2.238 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -2.190 0.993 -2.898 1.00 0.00 H new ATOM 1128 N ARG B 14 -1.776 3.693 -3.121 1.00 0.00 N ATOM 1129 CA ARG B 14 -1.312 5.041 -2.641 1.00 0.00 C ATOM 1130 C ARG B 14 -2.468 6.060 -2.522 1.00 0.00 C ATOM 1131 O ARG B 14 -2.511 6.821 -1.570 1.00 0.00 O ATOM 1132 CB ARG B 14 -0.251 5.531 -3.630 1.00 0.00 C ATOM 1133 CG ARG B 14 0.961 6.065 -2.859 1.00 0.00 C ATOM 1134 CD ARG B 14 0.553 7.171 -1.887 1.00 0.00 C ATOM 1135 NE ARG B 14 1.757 7.362 -1.039 1.00 0.00 N ATOM 1136 CZ ARG B 14 2.429 8.484 -1.079 1.00 0.00 C ATOM 1137 NH1 ARG B 14 3.507 8.571 -1.820 1.00 0.00 N ATOM 1138 NH2 ARG B 14 2.022 9.513 -0.375 1.00 0.00 N ATOM 0 H ARG B 14 -1.346 3.366 -3.986 1.00 0.00 H new ATOM 0 HA ARG B 14 -0.901 4.947 -1.636 1.00 0.00 H new ATOM 0 HB2 ARG B 14 0.053 4.716 -4.287 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -0.665 6.314 -4.265 1.00 0.00 H new ATOM 0 HG2 ARG B 14 1.434 5.251 -2.310 1.00 0.00 H new ATOM 0 HG3 ARG B 14 1.702 6.449 -3.561 1.00 0.00 H new ATOM 0 HD2 ARG B 14 0.286 8.087 -2.413 1.00 0.00 H new ATOM 0 HD3 ARG B 14 -0.313 6.881 -1.292 1.00 0.00 H new ATOM 0 HE ARG B 14 2.063 6.612 -0.420 1.00 0.00 H new ATOM 0 HH11 ARG B 14 3.819 7.766 -2.363 1.00 0.00 H new ATOM 0 HH12 ARG B 14 4.034 9.444 -1.854 1.00 0.00 H new ATOM 0 HH21 ARG B 14 1.184 9.437 0.201 1.00 0.00 H new ATOM 0 HH22 ARG B 14 2.544 10.389 -0.404 1.00 0.00 H new ATOM 1152 N GLU B 15 -3.418 6.075 -3.445 1.00 0.00 N ATOM 1153 CA GLU B 15 -4.575 7.042 -3.307 1.00 0.00 C ATOM 1154 C GLU B 15 -5.371 6.679 -2.040 1.00 0.00 C ATOM 1155 O GLU B 15 -5.725 7.537 -1.254 1.00 0.00 O ATOM 1156 CB GLU B 15 -5.433 6.873 -4.562 1.00 0.00 C ATOM 1157 CG GLU B 15 -4.739 7.528 -5.761 1.00 0.00 C ATOM 1158 CD GLU B 15 -5.641 7.424 -6.994 1.00 0.00 C ATOM 1159 OE1 GLU B 15 -6.552 8.228 -7.110 1.00 0.00 O ATOM 1160 OE2 GLU B 15 -5.407 6.540 -7.798 1.00 0.00 O ATOM 0 H GLU B 15 -3.444 5.475 -4.269 1.00 0.00 H new ATOM 0 HA GLU B 15 -4.245 8.077 -3.214 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -5.598 5.814 -4.760 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -6.413 7.325 -4.407 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -4.523 8.574 -5.543 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -3.784 7.039 -5.954 1.00 0.00 H new ATOM 1167 N ILE B 16 -5.574 5.388 -1.819 1.00 0.00 N ATOM 1168 CA ILE B 16 -6.260 4.885 -0.581 1.00 0.00 C ATOM 1169 C ILE B 16 -5.399 5.233 0.668 1.00 0.00 C ATOM 1170 O ILE B 16 -5.917 5.393 1.759 1.00 0.00 O ATOM 1171 CB ILE B 16 -6.386 3.352 -0.810 1.00 0.00 C ATOM 1172 CG1 ILE B 16 -7.537 3.082 -1.789 1.00 0.00 C ATOM 1173 CG2 ILE B 16 -6.663 2.618 0.496 1.00 0.00 C ATOM 1174 CD1 ILE B 16 -7.495 1.631 -2.289 1.00 0.00 C ATOM 0 H ILE B 16 -5.284 4.652 -2.463 1.00 0.00 H new ATOM 0 HA ILE B 16 -7.237 5.334 -0.403 1.00 0.00 H new ATOM 0 HB ILE B 16 -5.442 2.988 -1.217 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -8.491 3.275 -1.299 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -7.469 3.766 -2.635 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -6.746 1.549 0.302 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -5.846 2.798 1.195 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -7.596 2.982 0.927 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -8.319 1.461 -2.982 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -6.549 1.449 -2.799 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -7.587 0.951 -1.442 1.00 0.00 H new ATOM 1186 N VAL B 17 -4.092 5.358 0.495 1.00 0.00 N ATOM 1187 CA VAL B 17 -3.163 5.711 1.626 1.00 0.00 C ATOM 1188 C VAL B 17 -3.248 7.203 2.003 1.00 0.00 C ATOM 1189 O VAL B 17 -3.129 7.544 3.167 1.00 0.00 O ATOM 1190 CB VAL B 17 -1.741 5.386 1.093 1.00 0.00 C ATOM 1191 CG1 VAL B 17 -0.647 6.093 1.906 1.00 0.00 C ATOM 1192 CG2 VAL B 17 -1.500 3.890 1.156 1.00 0.00 C ATOM 0 H VAL B 17 -3.625 5.227 -0.402 1.00 0.00 H new ATOM 0 HA VAL B 17 -3.421 5.155 2.527 1.00 0.00 H new ATOM 0 HB VAL B 17 -1.691 5.742 0.064 1.00 0.00 H new ATOM 0 HG11 VAL B 17 0.331 5.838 1.499 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -0.793 7.172 1.851 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -0.702 5.772 2.946 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -0.501 3.666 0.781 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -1.584 3.551 2.189 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -2.241 3.376 0.544 1.00 0.00 H new ATOM 1202 N THR B 18 -3.371 8.097 1.032 1.00 0.00 N ATOM 1203 CA THR B 18 -3.357 9.560 1.367 1.00 0.00 C ATOM 1204 C THR B 18 -4.518 10.381 0.752 1.00 0.00 C ATOM 1205 O THR B 18 -4.343 11.560 0.482 1.00 0.00 O ATOM 1206 CB THR B 18 -1.973 10.039 0.859 1.00 0.00 C ATOM 1207 OG1 THR B 18 -1.722 11.362 1.318 1.00 0.00 O ATOM 1208 CG2 THR B 18 -1.906 10.007 -0.677 1.00 0.00 C ATOM 0 H THR B 18 -3.478 7.876 0.042 1.00 0.00 H new ATOM 0 HA THR B 18 -3.508 9.713 2.436 1.00 0.00 H new ATOM 0 HB THR B 18 -1.214 9.362 1.252 1.00 0.00 H new ATOM 0 HG1 THR B 18 -2.521 11.913 1.182 1.00 0.00 H new ATOM 0 HG21 THR B 18 -0.924 10.348 -1.006 1.00 0.00 H new ATOM 0 HG22 THR B 18 -2.072 8.988 -1.027 1.00 0.00 H new ATOM 0 HG23 THR B 18 -2.674 10.662 -1.088 1.00 0.00 H new ATOM 1216 N LEU B 19 -5.708 9.815 0.562 1.00 0.00 N ATOM 1217 CA LEU B 19 -6.847 10.659 0.012 1.00 0.00 C ATOM 1218 C LEU B 19 -7.121 11.874 0.963 1.00 0.00 C ATOM 1219 O LEU B 19 -6.663 11.886 2.095 1.00 0.00 O ATOM 1220 CB LEU B 19 -8.068 9.738 -0.168 1.00 0.00 C ATOM 1221 CG LEU B 19 -8.310 8.856 1.055 1.00 0.00 C ATOM 1222 CD1 LEU B 19 -9.773 8.957 1.429 1.00 0.00 C ATOM 1223 CD2 LEU B 19 -7.964 7.399 0.716 1.00 0.00 C ATOM 0 H LEU B 19 -5.935 8.840 0.756 1.00 0.00 H new ATOM 0 HA LEU B 19 -6.598 11.089 -0.958 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -8.954 10.344 -0.358 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -7.920 9.108 -1.045 1.00 0.00 H new ATOM 0 HG LEU B 19 -7.685 9.183 1.886 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -9.969 8.334 2.302 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -10.019 9.993 1.660 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -10.386 8.616 0.595 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -8.137 6.771 1.590 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -8.593 7.058 -0.106 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -6.916 7.332 0.424 1.00 0.00 H new ATOM 1235 N PRO B 20 -7.767 12.901 0.425 1.00 0.00 N ATOM 1236 CA PRO B 20 -7.981 14.201 1.168 1.00 0.00 C ATOM 1237 C PRO B 20 -8.748 14.153 2.513 1.00 0.00 C ATOM 1238 O PRO B 20 -8.519 15.016 3.344 1.00 0.00 O ATOM 1239 CB PRO B 20 -8.737 15.061 0.149 1.00 0.00 C ATOM 1240 CG PRO B 20 -9.376 14.079 -0.771 1.00 0.00 C ATOM 1241 CD PRO B 20 -8.387 12.961 -0.911 1.00 0.00 C ATOM 0 HA PRO B 20 -7.013 14.578 1.497 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -9.482 15.690 0.636 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -8.060 15.726 -0.388 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -10.321 13.719 -0.365 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -9.596 14.532 -1.738 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -8.874 12.022 -1.173 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -7.652 13.167 -1.689 1.00 0.00 H new ATOM 1249 N ASN B 21 -9.660 13.228 2.748 1.00 0.00 N ATOM 1250 CA ASN B 21 -10.424 13.259 4.063 1.00 0.00 C ATOM 1251 C ASN B 21 -10.324 11.945 4.853 1.00 0.00 C ATOM 1252 O ASN B 21 -11.274 11.559 5.524 1.00 0.00 O ATOM 1253 CB ASN B 21 -11.882 13.465 3.666 1.00 0.00 C ATOM 1254 CG ASN B 21 -12.132 14.835 3.026 1.00 0.00 C ATOM 1255 OD1 ASN B 21 -11.353 15.759 3.163 1.00 0.00 O ATOM 1256 ND2 ASN B 21 -13.221 15.002 2.335 1.00 0.00 N ATOM 0 H ASN B 21 -9.908 12.471 2.111 1.00 0.00 H new ATOM 0 HA ASN B 21 -10.015 14.038 4.706 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -12.178 12.683 2.967 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -12.513 13.360 4.549 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -13.421 15.907 1.909 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -13.875 14.228 2.219 1.00 0.00 H new ATOM 1263 N LEU B 22 -9.225 11.242 4.781 1.00 0.00 N ATOM 1264 CA LEU B 22 -9.142 9.946 5.521 1.00 0.00 C ATOM 1265 C LEU B 22 -8.087 9.953 6.623 1.00 0.00 C ATOM 1266 O LEU B 22 -7.136 10.717 6.605 1.00 0.00 O ATOM 1267 CB LEU B 22 -8.765 8.924 4.472 1.00 0.00 C ATOM 1268 CG LEU B 22 -9.391 7.575 4.799 1.00 0.00 C ATOM 1269 CD1 LEU B 22 -10.870 7.555 4.389 1.00 0.00 C ATOM 1270 CD2 LEU B 22 -8.633 6.493 4.041 1.00 0.00 C ATOM 0 H LEU B 22 -8.393 11.502 4.251 1.00 0.00 H new ATOM 0 HA LEU B 22 -10.088 9.737 6.020 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -9.100 9.260 3.491 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -7.680 8.827 4.422 1.00 0.00 H new ATOM 0 HG LEU B 22 -9.331 7.397 5.873 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -11.301 6.583 4.630 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -11.408 8.335 4.929 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -10.953 7.733 3.317 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -9.069 5.519 4.264 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -8.700 6.684 2.970 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -7.586 6.500 4.346 1.00 0.00 H new ATOM 1282 N ASN B 23 -8.252 9.048 7.558 1.00 0.00 N ATOM 1283 CA ASN B 23 -7.260 8.898 8.685 1.00 0.00 C ATOM 1284 C ASN B 23 -6.612 7.488 8.650 1.00 0.00 C ATOM 1285 O ASN B 23 -7.065 6.607 7.936 1.00 0.00 O ATOM 1286 CB ASN B 23 -8.028 9.192 9.999 1.00 0.00 C ATOM 1287 CG ASN B 23 -9.125 8.155 10.289 1.00 0.00 C ATOM 1288 OD1 ASN B 23 -9.527 7.412 9.426 1.00 0.00 O ATOM 1289 ND2 ASN B 23 -9.634 8.082 11.489 1.00 0.00 N ATOM 0 H ASN B 23 -9.037 8.398 7.594 1.00 0.00 H new ATOM 0 HA ASN B 23 -6.429 9.598 8.597 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -7.323 9.212 10.830 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -8.477 10.183 9.938 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -10.366 7.401 11.692 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -9.300 8.706 12.223 1.00 0.00 H new ATOM 1296 N ASP B 24 -5.517 7.304 9.372 1.00 0.00 N ATOM 1297 CA ASP B 24 -4.742 5.997 9.362 1.00 0.00 C ATOM 1298 C ASP B 24 -5.572 4.680 9.476 1.00 0.00 C ATOM 1299 O ASP B 24 -5.219 3.733 8.792 1.00 0.00 O ATOM 1300 CB ASP B 24 -3.664 6.102 10.473 1.00 0.00 C ATOM 1301 CG ASP B 24 -4.277 6.220 11.875 1.00 0.00 C ATOM 1302 OD1 ASP B 24 -4.669 7.319 12.240 1.00 0.00 O ATOM 1303 OD2 ASP B 24 -4.327 5.213 12.562 1.00 0.00 O ATOM 0 H ASP B 24 -5.118 8.018 9.981 1.00 0.00 H new ATOM 0 HA ASP B 24 -4.308 5.892 8.368 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -3.020 5.224 10.434 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -3.032 6.969 10.282 1.00 0.00 H new ATOM 1308 N PRO B 25 -6.620 4.604 10.303 1.00 0.00 N ATOM 1309 CA PRO B 25 -7.391 3.318 10.406 1.00 0.00 C ATOM 1310 C PRO B 25 -8.153 2.981 9.104 1.00 0.00 C ATOM 1311 O PRO B 25 -8.248 1.822 8.736 1.00 0.00 O ATOM 1312 CB PRO B 25 -8.362 3.568 11.558 1.00 0.00 C ATOM 1313 CG PRO B 25 -8.517 5.049 11.608 1.00 0.00 C ATOM 1314 CD PRO B 25 -7.195 5.632 11.193 1.00 0.00 C ATOM 0 HA PRO B 25 -6.735 2.464 10.573 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -9.319 3.075 11.383 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -7.970 3.179 12.498 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -9.313 5.378 10.940 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -8.787 5.377 12.612 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -7.322 6.583 10.676 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -6.553 5.820 12.054 1.00 0.00 H new ATOM 1322 N GLN B 26 -8.701 3.973 8.410 1.00 0.00 N ATOM 1323 CA GLN B 26 -9.464 3.685 7.142 1.00 0.00 C ATOM 1324 C GLN B 26 -8.504 3.220 6.041 1.00 0.00 C ATOM 1325 O GLN B 26 -8.676 2.146 5.495 1.00 0.00 O ATOM 1326 CB GLN B 26 -10.140 5.004 6.734 1.00 0.00 C ATOM 1327 CG GLN B 26 -10.953 5.594 7.896 1.00 0.00 C ATOM 1328 CD GLN B 26 -12.292 4.883 8.070 1.00 0.00 C ATOM 1329 OE1 GLN B 26 -12.396 3.679 7.953 1.00 0.00 O ATOM 1330 NE2 GLN B 26 -13.325 5.602 8.378 1.00 0.00 N ATOM 0 H GLN B 26 -8.650 4.958 8.669 1.00 0.00 H new ATOM 0 HA GLN B 26 -10.199 2.894 7.293 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -9.383 5.721 6.416 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -10.794 4.831 5.880 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -10.378 5.516 8.818 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -11.126 6.655 7.717 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -13.232 6.613 8.475 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -14.231 5.157 8.523 1.00 0.00 H new ATOM 1339 N LYS B 27 -7.490 4.023 5.719 1.00 0.00 N ATOM 1340 CA LYS B 27 -6.491 3.634 4.646 1.00 0.00 C ATOM 1341 C LYS B 27 -5.939 2.237 4.913 1.00 0.00 C ATOM 1342 O LYS B 27 -5.809 1.441 4.002 1.00 0.00 O ATOM 1343 CB LYS B 27 -5.349 4.672 4.636 1.00 0.00 C ATOM 1344 CG LYS B 27 -4.916 5.130 6.043 1.00 0.00 C ATOM 1345 CD LYS B 27 -4.348 6.555 5.965 1.00 0.00 C ATOM 1346 CE LYS B 27 -5.421 7.542 5.464 1.00 0.00 C ATOM 1347 NZ LYS B 27 -4.901 8.900 5.809 1.00 0.00 N ATOM 0 H LYS B 27 -7.315 4.929 6.155 1.00 0.00 H new ATOM 0 HA LYS B 27 -6.983 3.619 3.673 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -4.488 4.247 4.121 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -5.666 5.542 4.062 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -5.767 5.103 6.724 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -4.165 4.449 6.444 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -3.992 6.865 6.948 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -3.489 6.573 5.295 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -5.576 7.442 4.390 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -6.382 7.355 5.944 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -5.699 9.547 5.967 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -4.325 8.842 6.673 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -4.316 9.257 5.027 1.00 0.00 H new ATOM 1361 N LYS B 28 -5.657 1.927 6.159 1.00 0.00 N ATOM 1362 CA LYS B 28 -5.155 0.560 6.512 1.00 0.00 C ATOM 1363 C LYS B 28 -6.196 -0.504 6.106 1.00 0.00 C ATOM 1364 O LYS B 28 -5.856 -1.544 5.570 1.00 0.00 O ATOM 1365 CB LYS B 28 -5.062 0.543 8.051 1.00 0.00 C ATOM 1366 CG LYS B 28 -3.659 0.885 8.522 1.00 0.00 C ATOM 1367 CD LYS B 28 -2.937 -0.406 8.914 1.00 0.00 C ATOM 1368 CE LYS B 28 -1.440 -0.275 8.631 1.00 0.00 C ATOM 1369 NZ LYS B 28 -0.774 -1.357 9.417 1.00 0.00 N ATOM 0 H LYS B 28 -5.754 2.566 6.948 1.00 0.00 H new ATOM 0 HA LYS B 28 -4.209 0.349 6.014 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.772 1.257 8.468 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -5.343 -0.442 8.424 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -3.111 1.398 7.732 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -3.703 1.565 9.373 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -3.099 -0.616 9.971 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -3.349 -1.247 8.356 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -1.234 -0.383 7.566 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -1.071 0.707 8.929 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 0.232 -1.125 9.543 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -1.230 -1.440 10.348 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -0.860 -2.260 8.907 1.00 0.00 H new ATOM 1383 N ALA B 29 -7.463 -0.239 6.407 1.00 0.00 N ATOM 1384 CA ALA B 29 -8.572 -1.209 6.107 1.00 0.00 C ATOM 1385 C ALA B 29 -8.663 -1.549 4.613 1.00 0.00 C ATOM 1386 O ALA B 29 -8.687 -2.719 4.267 1.00 0.00 O ATOM 1387 CB ALA B 29 -9.862 -0.521 6.577 1.00 0.00 C ATOM 0 H ALA B 29 -7.771 0.624 6.855 1.00 0.00 H new ATOM 0 HA ALA B 29 -8.396 -2.157 6.616 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -10.713 -1.175 6.387 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -9.795 -0.313 7.645 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -9.995 0.414 6.033 1.00 0.00 H new ATOM 1393 N PHE B 30 -8.700 -0.567 3.718 1.00 0.00 N ATOM 1394 CA PHE B 30 -8.780 -0.942 2.258 1.00 0.00 C ATOM 1395 C PHE B 30 -7.402 -1.359 1.725 1.00 0.00 C ATOM 1396 O PHE B 30 -7.344 -2.173 0.843 1.00 0.00 O ATOM 1397 CB PHE B 30 -9.350 0.191 1.358 1.00 0.00 C ATOM 1398 CG PHE B 30 -9.824 1.432 2.066 1.00 0.00 C ATOM 1399 CD1 PHE B 30 -8.898 2.366 2.489 1.00 0.00 C ATOM 1400 CD2 PHE B 30 -11.192 1.686 2.207 1.00 0.00 C ATOM 1401 CE1 PHE B 30 -9.325 3.563 3.057 1.00 0.00 C ATOM 1402 CE2 PHE B 30 -11.621 2.875 2.790 1.00 0.00 C ATOM 1403 CZ PHE B 30 -10.686 3.818 3.213 1.00 0.00 C ATOM 0 H PHE B 30 -8.679 0.431 3.925 1.00 0.00 H new ATOM 0 HA PHE B 30 -9.474 -1.781 2.209 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -8.580 0.479 0.642 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -10.183 -0.215 0.784 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -7.842 2.167 2.379 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -11.915 0.960 1.864 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -8.600 4.296 3.378 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -12.677 3.066 2.914 1.00 0.00 H new ATOM 0 HZ PHE B 30 -11.015 4.744 3.661 1.00 0.00 H new ATOM 1413 N ILE B 31 -6.290 -0.828 2.225 1.00 0.00 N ATOM 1414 CA ILE B 31 -4.956 -1.280 1.672 1.00 0.00 C ATOM 1415 C ILE B 31 -4.728 -2.760 1.984 1.00 0.00 C ATOM 1416 O ILE B 31 -4.357 -3.523 1.115 1.00 0.00 O ATOM 1417 CB ILE B 31 -3.853 -0.423 2.303 1.00 0.00 C ATOM 1418 CG1 ILE B 31 -3.801 0.911 1.530 1.00 0.00 C ATOM 1419 CG2 ILE B 31 -2.485 -1.165 2.203 1.00 0.00 C ATOM 1420 CD1 ILE B 31 -2.377 1.263 1.174 1.00 0.00 C ATOM 0 H ILE B 31 -6.250 -0.127 2.965 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.942 -1.159 0.589 1.00 0.00 H new ATOM 0 HB ILE B 31 -4.059 -0.239 3.357 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -4.400 0.836 0.623 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -4.237 1.706 2.135 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -1.705 -0.551 2.653 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -2.548 -2.117 2.731 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -2.245 -1.346 1.155 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -2.361 2.207 0.629 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.787 1.360 2.086 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.953 0.477 0.550 1.00 0.00 H new ATOM 1432 N PHE B 32 -4.939 -3.160 3.220 1.00 0.00 N ATOM 1433 CA PHE B 32 -4.734 -4.595 3.586 1.00 0.00 C ATOM 1434 C PHE B 32 -5.697 -5.471 2.749 1.00 0.00 C ATOM 1435 O PHE B 32 -5.303 -6.513 2.260 1.00 0.00 O ATOM 1436 CB PHE B 32 -4.956 -4.673 5.114 1.00 0.00 C ATOM 1437 CG PHE B 32 -3.634 -4.361 5.829 1.00 0.00 C ATOM 1438 CD1 PHE B 32 -2.992 -3.086 5.679 1.00 0.00 C ATOM 1439 CD2 PHE B 32 -3.007 -5.355 6.634 1.00 0.00 C ATOM 1440 CE1 PHE B 32 -1.777 -2.857 6.306 1.00 0.00 C ATOM 1441 CE2 PHE B 32 -1.799 -5.082 7.248 1.00 0.00 C ATOM 1442 CZ PHE B 32 -1.190 -3.854 7.081 1.00 0.00 C ATOM 0 H PHE B 32 -5.242 -2.556 3.984 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.737 -4.974 3.362 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -5.725 -3.964 5.419 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -5.309 -5.666 5.393 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -3.452 -2.312 5.083 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -3.474 -6.320 6.764 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -1.284 -1.903 6.193 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.328 -5.835 7.863 1.00 0.00 H new ATOM 0 HZ PHE B 32 -0.241 -3.663 7.560 1.00 0.00 H new ATOM 1452 N SER B 33 -6.923 -5.016 2.495 1.00 0.00 N ATOM 1453 CA SER B 33 -7.848 -5.801 1.598 1.00 0.00 C ATOM 1454 C SER B 33 -7.399 -5.630 0.115 1.00 0.00 C ATOM 1455 O SER B 33 -7.539 -6.538 -0.677 1.00 0.00 O ATOM 1456 CB SER B 33 -9.265 -5.251 1.835 1.00 0.00 C ATOM 1457 OG SER B 33 -9.370 -3.926 1.345 1.00 0.00 O ATOM 0 H SER B 33 -7.311 -4.149 2.867 1.00 0.00 H new ATOM 0 HA SER B 33 -7.826 -6.869 1.817 1.00 0.00 H new ATOM 0 HB2 SER B 33 -9.997 -5.888 1.338 1.00 0.00 H new ATOM 0 HB3 SER B 33 -9.496 -5.271 2.900 1.00 0.00 H new ATOM 0 HG SER B 33 -8.484 -3.508 1.340 1.00 0.00 H new ATOM 1463 N LEU B 34 -6.820 -4.480 -0.234 1.00 0.00 N ATOM 1464 CA LEU B 34 -6.294 -4.233 -1.634 1.00 0.00 C ATOM 1465 C LEU B 34 -5.149 -5.217 -1.903 1.00 0.00 C ATOM 1466 O LEU B 34 -5.046 -5.783 -2.970 1.00 0.00 O ATOM 1467 CB LEU B 34 -5.757 -2.777 -1.622 1.00 0.00 C ATOM 1468 CG LEU B 34 -5.253 -2.341 -3.000 1.00 0.00 C ATOM 1469 CD1 LEU B 34 -6.424 -1.841 -3.852 1.00 0.00 C ATOM 1470 CD2 LEU B 34 -4.220 -1.207 -2.841 1.00 0.00 C ATOM 0 H LEU B 34 -6.691 -3.695 0.405 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.053 -4.369 -2.404 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.547 -2.102 -1.295 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -4.947 -2.695 -0.897 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.787 -3.195 -3.492 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -6.056 -1.533 -4.831 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -7.153 -2.642 -3.974 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.897 -0.992 -3.358 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.863 -0.899 -3.824 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.686 -0.358 -2.342 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.379 -1.562 -2.245 1.00 0.00 H new ATOM 1482 N TRP B 35 -4.304 -5.422 -0.913 1.00 0.00 N ATOM 1483 CA TRP B 35 -3.165 -6.375 -1.048 1.00 0.00 C ATOM 1484 C TRP B 35 -3.670 -7.823 -1.222 1.00 0.00 C ATOM 1485 O TRP B 35 -3.174 -8.559 -2.057 1.00 0.00 O ATOM 1486 CB TRP B 35 -2.385 -6.256 0.262 1.00 0.00 C ATOM 1487 CG TRP B 35 -1.154 -7.072 0.126 1.00 0.00 C ATOM 1488 CD1 TRP B 35 -0.913 -8.246 0.743 1.00 0.00 C ATOM 1489 CD2 TRP B 35 -0.017 -6.810 -0.722 1.00 0.00 C ATOM 1490 NE1 TRP B 35 0.312 -8.713 0.329 1.00 0.00 N ATOM 1491 CE2 TRP B 35 0.908 -7.855 -0.570 1.00 0.00 C ATOM 1492 CE3 TRP B 35 0.294 -5.764 -1.594 1.00 0.00 C ATOM 1493 CZ2 TRP B 35 2.107 -7.858 -1.265 1.00 0.00 C ATOM 1494 CZ3 TRP B 35 1.494 -5.766 -2.293 1.00 0.00 C ATOM 1495 CH2 TRP B 35 2.397 -6.807 -2.127 1.00 0.00 C ATOM 0 H TRP B 35 -4.363 -4.958 -0.006 1.00 0.00 H new ATOM 0 HA TRP B 35 -2.556 -6.143 -1.922 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -2.134 -5.215 0.465 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -2.987 -6.608 1.100 1.00 0.00 H new ATOM 0 HD1 TRP B 35 -1.571 -8.737 1.444 1.00 0.00 H new ATOM 0 HE1 TRP B 35 0.729 -9.588 0.648 1.00 0.00 H new ATOM 0 HE3 TRP B 35 -0.403 -4.949 -1.725 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 2.809 -8.669 -1.138 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 1.725 -4.955 -2.968 1.00 0.00 H new ATOM 0 HH2 TRP B 35 3.330 -6.800 -2.671 1.00 0.00 H new ATOM 1506 N ASP B 36 -4.648 -8.224 -0.424 1.00 0.00 N ATOM 1507 CA ASP B 36 -5.194 -9.617 -0.509 1.00 0.00 C ATOM 1508 C ASP B 36 -6.051 -9.787 -1.763 1.00 0.00 C ATOM 1509 O ASP B 36 -5.958 -10.794 -2.445 1.00 0.00 O ATOM 1510 CB ASP B 36 -6.054 -9.800 0.754 1.00 0.00 C ATOM 1511 CG ASP B 36 -5.968 -11.253 1.228 1.00 0.00 C ATOM 1512 OD1 ASP B 36 -6.756 -12.058 0.760 1.00 0.00 O ATOM 1513 OD2 ASP B 36 -5.113 -11.535 2.053 1.00 0.00 O ATOM 0 H ASP B 36 -5.088 -7.636 0.284 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.395 -10.356 -0.569 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -5.710 -9.129 1.541 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -7.090 -9.537 0.542 1.00 0.00 H new ATOM 1518 N ASP B 37 -6.891 -8.813 -2.063 1.00 0.00 N ATOM 1519 CA ASP B 37 -7.766 -8.911 -3.257 1.00 0.00 C ATOM 1520 C ASP B 37 -7.757 -7.592 -4.057 1.00 0.00 C ATOM 1521 O ASP B 37 -8.726 -6.844 -4.027 1.00 0.00 O ATOM 1522 CB ASP B 37 -9.168 -9.228 -2.704 1.00 0.00 C ATOM 1523 CG ASP B 37 -9.201 -10.654 -2.136 1.00 0.00 C ATOM 1524 OD1 ASP B 37 -9.332 -11.581 -2.916 1.00 0.00 O ATOM 1525 OD2 ASP B 37 -9.090 -10.790 -0.928 1.00 0.00 O ATOM 0 H ASP B 37 -6.999 -7.956 -1.521 1.00 0.00 H new ATOM 0 HA ASP B 37 -7.428 -9.680 -3.951 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -9.431 -8.512 -1.925 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -9.911 -9.126 -3.495 1.00 0.00 H new ATOM 1530 N PRO B 38 -6.670 -7.355 -4.781 1.00 0.00 N ATOM 1531 CA PRO B 38 -6.564 -6.130 -5.629 1.00 0.00 C ATOM 1532 C PRO B 38 -7.510 -6.191 -6.846 1.00 0.00 C ATOM 1533 O PRO B 38 -7.615 -5.226 -7.574 1.00 0.00 O ATOM 1534 CB PRO B 38 -5.117 -6.117 -6.076 1.00 0.00 C ATOM 1535 CG PRO B 38 -4.682 -7.541 -6.004 1.00 0.00 C ATOM 1536 CD PRO B 38 -5.448 -8.173 -4.874 1.00 0.00 C ATOM 0 HA PRO B 38 -6.851 -5.231 -5.084 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -5.019 -5.725 -7.088 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -4.509 -5.485 -5.429 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -4.885 -8.055 -6.944 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -3.608 -7.609 -5.829 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -5.680 -9.217 -5.082 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -4.880 -8.152 -3.944 1.00 0.00 H new ATOM 1544 N SER B 39 -8.226 -7.292 -7.054 1.00 0.00 N ATOM 1545 CA SER B 39 -9.205 -7.363 -8.199 1.00 0.00 C ATOM 1546 C SER B 39 -10.216 -6.213 -8.038 1.00 0.00 C ATOM 1547 O SER B 39 -10.640 -5.602 -9.002 1.00 0.00 O ATOM 1548 CB SER B 39 -9.908 -8.716 -8.054 1.00 0.00 C ATOM 1549 OG SER B 39 -10.153 -9.263 -9.344 1.00 0.00 O ATOM 0 H SER B 39 -8.171 -8.135 -6.482 1.00 0.00 H new ATOM 0 HA SER B 39 -8.730 -7.272 -9.176 1.00 0.00 H new ATOM 0 HB2 SER B 39 -9.291 -9.398 -7.469 1.00 0.00 H new ATOM 0 HB3 SER B 39 -10.847 -8.594 -7.514 1.00 0.00 H new ATOM 0 HG SER B 39 -10.601 -10.130 -9.252 1.00 0.00 H new ATOM 1555 N GLN B 40 -10.549 -5.898 -6.795 1.00 0.00 N ATOM 1556 CA GLN B 40 -11.483 -4.764 -6.491 1.00 0.00 C ATOM 1557 C GLN B 40 -10.679 -3.460 -6.269 1.00 0.00 C ATOM 1558 O GLN B 40 -11.163 -2.565 -5.620 1.00 0.00 O ATOM 1559 CB GLN B 40 -12.198 -5.124 -5.171 1.00 0.00 C ATOM 1560 CG GLN B 40 -12.614 -6.596 -5.135 1.00 0.00 C ATOM 1561 CD GLN B 40 -13.823 -6.777 -4.211 1.00 0.00 C ATOM 1562 OE1 GLN B 40 -14.792 -7.408 -4.582 1.00 0.00 O ATOM 1563 NE2 GLN B 40 -13.811 -6.252 -3.014 1.00 0.00 N ATOM 0 H GLN B 40 -10.204 -6.391 -5.971 1.00 0.00 H new ATOM 0 HA GLN B 40 -12.184 -4.613 -7.312 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -11.538 -4.912 -4.330 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -13.079 -4.494 -5.051 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -12.860 -6.937 -6.140 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.783 -7.209 -4.785 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -12.999 -5.721 -2.698 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -14.613 -6.373 -2.396 1.00 0.00 H new ATOM 1572 N SER B 41 -9.449 -3.353 -6.775 1.00 0.00 N ATOM 1573 CA SER B 41 -8.623 -2.107 -6.549 1.00 0.00 C ATOM 1574 C SER B 41 -9.359 -0.842 -7.017 1.00 0.00 C ATOM 1575 O SER B 41 -9.283 0.186 -6.369 1.00 0.00 O ATOM 1576 CB SER B 41 -7.330 -2.297 -7.336 1.00 0.00 C ATOM 1577 OG SER B 41 -7.613 -2.487 -8.719 1.00 0.00 O ATOM 0 H SER B 41 -8.990 -4.075 -7.331 1.00 0.00 H new ATOM 0 HA SER B 41 -8.428 -1.970 -5.485 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.687 -1.427 -7.206 1.00 0.00 H new ATOM 0 HB3 SER B 41 -6.784 -3.157 -6.949 1.00 0.00 H new ATOM 0 HG SER B 41 -7.741 -3.442 -8.899 1.00 0.00 H new ATOM 1583 N ALA B 42 -10.107 -0.925 -8.109 1.00 0.00 N ATOM 1584 CA ALA B 42 -10.897 0.264 -8.588 1.00 0.00 C ATOM 1585 C ALA B 42 -11.948 0.600 -7.521 1.00 0.00 C ATOM 1586 O ALA B 42 -12.082 1.735 -7.098 1.00 0.00 O ATOM 1587 CB ALA B 42 -11.587 -0.199 -9.875 1.00 0.00 C ATOM 0 H ALA B 42 -10.201 -1.763 -8.683 1.00 0.00 H new ATOM 0 HA ALA B 42 -10.280 1.146 -8.763 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -12.183 0.618 -10.282 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -10.834 -0.498 -10.604 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -12.236 -1.047 -9.655 1.00 0.00 H new ATOM 1593 N ASN B 43 -12.660 -0.415 -7.069 1.00 0.00 N ATOM 1594 CA ASN B 43 -13.687 -0.245 -6.000 1.00 0.00 C ATOM 1595 C ASN B 43 -13.025 0.120 -4.655 1.00 0.00 C ATOM 1596 O ASN B 43 -13.616 0.812 -3.857 1.00 0.00 O ATOM 1597 CB ASN B 43 -14.391 -1.605 -5.910 1.00 0.00 C ATOM 1598 CG ASN B 43 -15.384 -1.753 -7.069 1.00 0.00 C ATOM 1599 OD1 ASN B 43 -16.433 -1.140 -7.067 1.00 0.00 O ATOM 1600 ND2 ASN B 43 -15.095 -2.543 -8.068 1.00 0.00 N ATOM 0 H ASN B 43 -12.564 -1.372 -7.409 1.00 0.00 H new ATOM 0 HA ASN B 43 -14.383 0.563 -6.226 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -13.655 -2.409 -5.944 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -14.914 -1.692 -4.958 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -15.749 -2.644 -8.844 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -14.215 -3.059 -8.072 1.00 0.00 H new ATOM 1607 N LEU B 44 -11.801 -0.335 -4.410 1.00 0.00 N ATOM 1608 CA LEU B 44 -11.081 -0.011 -3.127 1.00 0.00 C ATOM 1609 C LEU B 44 -10.676 1.455 -3.114 1.00 0.00 C ATOM 1610 O LEU B 44 -10.899 2.168 -2.157 1.00 0.00 O ATOM 1611 CB LEU B 44 -9.847 -0.914 -3.137 1.00 0.00 C ATOM 1612 CG LEU B 44 -10.149 -2.168 -2.332 1.00 0.00 C ATOM 1613 CD1 LEU B 44 -9.448 -3.377 -2.966 1.00 0.00 C ATOM 1614 CD2 LEU B 44 -9.652 -1.936 -0.904 1.00 0.00 C ATOM 0 H LEU B 44 -11.271 -0.922 -5.055 1.00 0.00 H new ATOM 0 HA LEU B 44 -11.699 -0.175 -2.245 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.581 -1.178 -4.161 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -8.992 -0.389 -2.711 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.219 -2.374 -2.322 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.669 -4.272 -2.384 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.805 -3.511 -3.987 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.371 -3.208 -2.978 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -9.855 -2.820 -0.300 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.579 -1.745 -0.919 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -10.168 -1.077 -0.474 1.00 0.00 H new ATOM 1626 N LEU B 45 -10.121 1.898 -4.208 1.00 0.00 N ATOM 1627 CA LEU B 45 -9.725 3.326 -4.371 1.00 0.00 C ATOM 1628 C LEU B 45 -10.976 4.189 -4.207 1.00 0.00 C ATOM 1629 O LEU B 45 -10.971 5.160 -3.476 1.00 0.00 O ATOM 1630 CB LEU B 45 -9.162 3.423 -5.805 1.00 0.00 C ATOM 1631 CG LEU B 45 -8.941 4.882 -6.213 1.00 0.00 C ATOM 1632 CD1 LEU B 45 -8.240 5.641 -5.088 1.00 0.00 C ATOM 1633 CD2 LEU B 45 -8.080 4.919 -7.475 1.00 0.00 C ATOM 0 H LEU B 45 -9.920 1.313 -5.019 1.00 0.00 H new ATOM 0 HA LEU B 45 -8.989 3.664 -3.642 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -8.220 2.878 -5.867 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -9.851 2.948 -6.503 1.00 0.00 H new ATOM 0 HG LEU B 45 -9.903 5.355 -6.407 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -8.088 6.678 -5.388 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -8.856 5.610 -4.189 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -7.275 5.177 -4.882 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -7.917 5.954 -7.774 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -7.120 4.444 -7.274 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -8.588 4.385 -8.278 1.00 0.00 H new ATOM 1645 N ALA B 46 -12.058 3.797 -4.847 1.00 0.00 N ATOM 1646 CA ALA B 46 -13.337 4.549 -4.703 1.00 0.00 C ATOM 1647 C ALA B 46 -13.813 4.444 -3.245 1.00 0.00 C ATOM 1648 O ALA B 46 -14.218 5.424 -2.657 1.00 0.00 O ATOM 1649 CB ALA B 46 -14.316 3.848 -5.638 1.00 0.00 C ATOM 0 H ALA B 46 -12.103 2.985 -5.463 1.00 0.00 H new ATOM 0 HA ALA B 46 -13.241 5.607 -4.947 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -15.285 4.345 -5.589 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -13.938 3.891 -6.659 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -14.426 2.807 -5.335 1.00 0.00 H new ATOM 1655 N GLU B 47 -13.712 3.255 -2.656 1.00 0.00 N ATOM 1656 CA GLU B 47 -14.092 3.046 -1.218 1.00 0.00 C ATOM 1657 C GLU B 47 -13.285 4.015 -0.335 1.00 0.00 C ATOM 1658 O GLU B 47 -13.774 4.508 0.661 1.00 0.00 O ATOM 1659 CB GLU B 47 -13.703 1.588 -0.902 1.00 0.00 C ATOM 1660 CG GLU B 47 -14.234 1.177 0.483 1.00 0.00 C ATOM 1661 CD GLU B 47 -13.752 -0.242 0.875 1.00 0.00 C ATOM 1662 OE1 GLU B 47 -12.847 -0.774 0.236 1.00 0.00 O ATOM 1663 OE2 GLU B 47 -14.286 -0.766 1.836 1.00 0.00 O ATOM 0 H GLU B 47 -13.376 2.415 -3.127 1.00 0.00 H new ATOM 0 HA GLU B 47 -15.151 3.228 -1.034 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -14.108 0.924 -1.665 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -12.619 1.481 -0.929 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -13.899 1.896 1.231 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -15.324 1.205 0.479 1.00 0.00 H new ATOM 1670 N ALA B 48 -12.056 4.299 -0.731 1.00 0.00 N ATOM 1671 CA ALA B 48 -11.185 5.250 0.026 1.00 0.00 C ATOM 1672 C ALA B 48 -11.786 6.664 -0.049 1.00 0.00 C ATOM 1673 O ALA B 48 -12.061 7.268 0.971 1.00 0.00 O ATOM 1674 CB ALA B 48 -9.809 5.185 -0.671 1.00 0.00 C ATOM 0 H ALA B 48 -11.620 3.900 -1.563 1.00 0.00 H new ATOM 0 HA ALA B 48 -11.099 4.997 1.083 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.115 5.859 -0.169 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -9.425 4.166 -0.623 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -9.915 5.484 -1.714 1.00 0.00 H new ATOM 1680 N LYS B 49 -12.025 7.176 -1.251 1.00 0.00 N ATOM 1681 CA LYS B 49 -12.641 8.546 -1.407 1.00 0.00 C ATOM 1682 C LYS B 49 -14.046 8.585 -0.778 1.00 0.00 C ATOM 1683 O LYS B 49 -14.382 9.508 -0.063 1.00 0.00 O ATOM 1684 CB LYS B 49 -12.737 8.797 -2.920 1.00 0.00 C ATOM 1685 CG LYS B 49 -11.351 9.140 -3.492 1.00 0.00 C ATOM 1686 CD LYS B 49 -10.769 7.917 -4.212 1.00 0.00 C ATOM 1687 CE LYS B 49 -9.920 8.347 -5.418 1.00 0.00 C ATOM 1688 NZ LYS B 49 -8.641 8.889 -4.852 1.00 0.00 N ATOM 0 H LYS B 49 -11.818 6.700 -2.129 1.00 0.00 H new ATOM 0 HA LYS B 49 -12.041 9.306 -0.907 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -13.135 7.913 -3.418 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -13.432 9.614 -3.117 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -11.431 9.978 -4.185 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.683 9.453 -2.689 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -10.158 7.338 -3.519 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -11.578 7.266 -4.544 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -9.727 7.503 -6.080 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -10.437 9.103 -6.009 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -7.880 8.787 -5.554 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -8.764 9.895 -4.618 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -8.391 8.361 -3.991 1.00 0.00 H new ATOM 1702 N LYS B 50 -14.856 7.574 -1.035 1.00 0.00 N ATOM 1703 CA LYS B 50 -16.245 7.516 -0.445 1.00 0.00 C ATOM 1704 C LYS B 50 -16.171 7.492 1.090 1.00 0.00 C ATOM 1705 O LYS B 50 -16.933 8.168 1.758 1.00 0.00 O ATOM 1706 CB LYS B 50 -16.866 6.220 -0.982 1.00 0.00 C ATOM 1707 CG LYS B 50 -17.119 6.351 -2.489 1.00 0.00 C ATOM 1708 CD LYS B 50 -17.666 5.029 -3.032 1.00 0.00 C ATOM 1709 CE LYS B 50 -17.767 5.102 -4.563 1.00 0.00 C ATOM 1710 NZ LYS B 50 -17.818 3.681 -5.026 1.00 0.00 N ATOM 0 H LYS B 50 -14.614 6.782 -1.631 1.00 0.00 H new ATOM 0 HA LYS B 50 -16.841 8.387 -0.718 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -16.200 5.379 -0.787 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -17.802 6.012 -0.463 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -17.828 7.156 -2.681 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -16.194 6.612 -3.002 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -17.013 4.206 -2.740 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -18.647 4.826 -2.602 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -18.658 5.648 -4.872 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -16.910 5.623 -4.989 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -17.887 3.656 -6.063 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -16.954 3.187 -4.725 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -18.648 3.211 -4.612 1.00 0.00 H new ATOM 1724 N LEU B 51 -15.233 6.742 1.648 1.00 0.00 N ATOM 1725 CA LEU B 51 -15.073 6.701 3.141 1.00 0.00 C ATOM 1726 C LEU B 51 -14.572 8.073 3.642 1.00 0.00 C ATOM 1727 O LEU B 51 -15.018 8.551 4.673 1.00 0.00 O ATOM 1728 CB LEU B 51 -14.075 5.555 3.417 1.00 0.00 C ATOM 1729 CG LEU B 51 -13.944 5.271 4.932 1.00 0.00 C ATOM 1730 CD1 LEU B 51 -15.306 5.384 5.638 1.00 0.00 C ATOM 1731 CD2 LEU B 51 -13.411 3.845 5.128 1.00 0.00 C ATOM 0 H LEU B 51 -14.575 6.160 1.130 1.00 0.00 H new ATOM 0 HA LEU B 51 -16.007 6.513 3.671 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -14.405 4.652 2.904 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -13.098 5.815 3.009 1.00 0.00 H new ATOM 0 HG LEU B 51 -13.263 6.006 5.361 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -15.183 5.179 6.701 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -15.702 6.391 5.506 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -16.000 4.662 5.208 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -13.315 3.636 6.193 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -14.103 3.133 4.679 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -12.435 3.752 4.651 1.00 0.00 H new ATOM 1743 N ASN B 52 -13.701 8.735 2.885 1.00 0.00 N ATOM 1744 CA ASN B 52 -13.228 10.111 3.268 1.00 0.00 C ATOM 1745 C ASN B 52 -14.432 11.059 3.312 1.00 0.00 C ATOM 1746 O ASN B 52 -14.490 11.951 4.134 1.00 0.00 O ATOM 1747 CB ASN B 52 -12.179 10.499 2.179 1.00 0.00 C ATOM 1748 CG ASN B 52 -12.639 11.525 1.090 1.00 0.00 C ATOM 1749 OD1 ASN B 52 -13.516 12.340 1.269 1.00 0.00 O ATOM 1750 ND2 ASN B 52 -12.021 11.550 -0.048 1.00 0.00 N ATOM 0 H ASN B 52 -13.302 8.373 2.019 1.00 0.00 H new ATOM 0 HA ASN B 52 -12.770 10.162 4.256 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -11.302 10.907 2.682 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -11.861 9.587 1.674 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -12.280 12.240 -0.754 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -11.276 10.880 -0.238 1.00 0.00 H new ATOM 1757 N ASP B 53 -15.383 10.863 2.408 1.00 0.00 N ATOM 1758 CA ASP B 53 -16.587 11.739 2.350 1.00 0.00 C ATOM 1759 C ASP B 53 -17.417 11.609 3.642 1.00 0.00 C ATOM 1760 O ASP B 53 -18.031 12.566 4.083 1.00 0.00 O ATOM 1761 CB ASP B 53 -17.399 11.248 1.145 1.00 0.00 C ATOM 1762 CG ASP B 53 -18.447 12.298 0.763 1.00 0.00 C ATOM 1763 OD1 ASP B 53 -18.110 13.202 0.015 1.00 0.00 O ATOM 1764 OD2 ASP B 53 -19.571 12.179 1.220 1.00 0.00 O ATOM 0 H ASP B 53 -15.363 10.122 1.707 1.00 0.00 H new ATOM 0 HA ASP B 53 -16.312 12.789 2.253 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -16.736 11.059 0.301 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -17.888 10.304 1.385 1.00 0.00 H new ATOM 1769 N ALA B 54 -17.431 10.429 4.245 1.00 0.00 N ATOM 1770 CA ALA B 54 -18.211 10.219 5.511 1.00 0.00 C ATOM 1771 C ALA B 54 -17.577 11.013 6.666 1.00 0.00 C ATOM 1772 O ALA B 54 -18.272 11.580 7.491 1.00 0.00 O ATOM 1773 CB ALA B 54 -18.131 8.710 5.773 1.00 0.00 C ATOM 0 H ALA B 54 -16.933 9.605 3.909 1.00 0.00 H new ATOM 0 HA ALA B 54 -19.242 10.563 5.429 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -18.678 8.469 6.685 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -18.570 8.171 4.933 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -17.088 8.415 5.887 1.00 0.00 H new ATOM 1779 N GLN B 55 -16.261 11.068 6.706 1.00 0.00 N ATOM 1780 CA GLN B 55 -15.540 11.831 7.774 1.00 0.00 C ATOM 1781 C GLN B 55 -15.511 13.335 7.432 1.00 0.00 C ATOM 1782 O GLN B 55 -15.550 14.174 8.316 1.00 0.00 O ATOM 1783 CB GLN B 55 -14.125 11.236 7.773 1.00 0.00 C ATOM 1784 CG GLN B 55 -14.160 9.826 8.378 1.00 0.00 C ATOM 1785 CD GLN B 55 -12.801 9.159 8.178 1.00 0.00 C ATOM 1786 OE1 GLN B 55 -12.305 9.082 6.979 1.00 0.00 O flip ATOM 1787 NE2 GLN B 55 -12.187 8.704 9.123 1.00 0.00 N flip ATOM 0 H GLN B 55 -15.650 10.608 6.031 1.00 0.00 H new ATOM 0 HA GLN B 55 -16.019 11.750 8.750 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -13.737 11.197 6.755 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -13.451 11.872 8.347 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -14.399 9.879 9.440 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -14.942 9.233 7.904 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -12.578 8.766 10.063 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -11.280 8.260 8.976 1.00 0.00 H new ATOM 1796 N ALA B 56 -15.423 13.666 6.154 1.00 0.00 N ATOM 1797 CA ALA B 56 -15.368 15.099 5.720 1.00 0.00 C ATOM 1798 C ALA B 56 -15.932 15.261 4.294 1.00 0.00 C ATOM 1799 O ALA B 56 -15.845 14.345 3.506 1.00 0.00 O ATOM 1800 CB ALA B 56 -13.879 15.418 5.728 1.00 0.00 C ATOM 0 H ALA B 56 -15.387 12.991 5.390 1.00 0.00 H new ATOM 0 HA ALA B 56 -15.955 15.754 6.363 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -13.727 16.453 5.422 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -13.481 15.274 6.733 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -13.361 14.755 5.035 1.00 0.00 H new ATOM 1806 N PRO B 57 -16.471 16.431 3.992 1.00 0.00 N ATOM 1807 CA PRO B 57 -17.029 16.684 2.631 1.00 0.00 C ATOM 1808 C PRO B 57 -15.890 16.839 1.606 1.00 0.00 C ATOM 1809 O PRO B 57 -14.852 17.414 1.906 1.00 0.00 O ATOM 1810 CB PRO B 57 -17.798 17.991 2.792 1.00 0.00 C ATOM 1811 CG PRO B 57 -17.148 18.680 3.946 1.00 0.00 C ATOM 1812 CD PRO B 57 -16.610 17.609 4.862 1.00 0.00 C ATOM 0 HA PRO B 57 -17.657 15.871 2.268 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -17.741 18.597 1.887 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -18.855 17.806 2.986 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -16.344 19.331 3.602 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -17.866 19.310 4.471 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -15.653 17.899 5.296 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -17.290 17.414 5.691 1.00 0.00 H new ATOM 1820 N LYS B 58 -16.082 16.339 0.406 1.00 0.00 N ATOM 1821 CA LYS B 58 -15.015 16.456 -0.654 1.00 0.00 C ATOM 1822 C LYS B 58 -14.958 17.891 -1.209 1.00 0.00 C ATOM 1823 O LYS B 58 -13.877 18.453 -1.219 1.00 0.00 O ATOM 1824 CB LYS B 58 -15.399 15.461 -1.763 1.00 0.00 C ATOM 1825 CG LYS B 58 -15.190 14.019 -1.282 1.00 0.00 C ATOM 1826 CD LYS B 58 -15.497 13.053 -2.431 1.00 0.00 C ATOM 1827 CE LYS B 58 -15.505 11.607 -1.913 1.00 0.00 C ATOM 1828 NZ LYS B 58 -16.880 11.090 -2.183 1.00 0.00 N ATOM 1829 OXT LYS B 58 -15.994 18.404 -1.610 1.00 0.00 O ATOM 0 H LYS B 58 -16.930 15.854 0.111 1.00 0.00 H new ATOM 0 HA LYS B 58 -14.028 16.233 -0.248 1.00 0.00 H new ATOM 0 HB2 LYS B 58 -16.441 15.609 -2.049 1.00 0.00 H new ATOM 0 HB3 LYS B 58 -14.796 15.646 -2.652 1.00 0.00 H new ATOM 0 HG2 LYS B 58 -14.164 13.882 -0.941 1.00 0.00 H new ATOM 0 HG3 LYS B 58 -15.839 13.809 -0.432 1.00 0.00 H new ATOM 0 HD2 LYS B 58 -16.464 13.295 -2.872 1.00 0.00 H new ATOM 0 HD3 LYS B 58 -14.751 13.162 -3.218 1.00 0.00 H new ATOM 0 HE2 LYS B 58 -14.753 11.004 -2.422 1.00 0.00 H new ATOM 0 HE3 LYS B 58 -15.275 11.571 -0.848 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 -16.918 10.074 -1.963 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 -17.565 11.599 -1.589 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 -17.115 11.236 -3.185 1.00 0.00 H new TER 1843 LYS B 58