USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 392 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 GLN :FLIP amide:sc= -5.81! C(o=-6.6!,f=-5.7!) USER MOD Set 1.2: A 38 TYR OH : rot 180:sc= 0.0738 USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.0598 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00843 USER MOD Single : A 13 SER OG : rot 162:sc= 1 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -9.6! C(o=-9.6!,f=-9.1!) USER MOD Single : A 17 MET CE :methyl 161:sc= -9.84! (180deg=-11.3!) USER MOD Single : A 19 SER OG : rot 180:sc= 0.036 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0403 USER MOD Single : A 35 THR OG1 : rot 84:sc= 0.208 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -5.39! C(o=-5.4!,f=-5.7!) USER MOD Single : A 46 THR OG1 : rot -59:sc= 0.568 USER MOD Single : A 48 GLN : amide:sc= -0.568 K(o=-0.57,f=-2.7!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 66:sc= 1.03 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.051 -15.427 5.297 1.00 0.00 N ATOM 2 CA GLY A 1 26.481 -15.583 4.908 1.00 0.00 C ATOM 3 C GLY A 1 27.101 -14.281 4.438 1.00 0.00 C ATOM 4 O GLY A 1 26.510 -13.213 4.596 1.00 0.00 O ATOM 0 H1 GLY A 1 24.916 -15.772 6.269 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.785 -14.423 5.246 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.453 -15.977 4.648 1.00 0.00 H new ATOM 0 HA2 GLY A 1 27.046 -15.964 5.759 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.559 -16.326 4.114 1.00 0.00 H new ATOM 10 N SER A 2 28.293 -14.372 3.857 1.00 0.00 N ATOM 11 CA SER A 2 28.993 -13.192 3.358 1.00 0.00 C ATOM 12 C SER A 2 28.969 -13.154 1.834 1.00 0.00 C ATOM 13 O SER A 2 29.627 -13.957 1.172 1.00 0.00 O ATOM 14 CB SER A 2 30.439 -13.183 3.858 1.00 0.00 C ATOM 15 OG SER A 2 30.851 -14.481 4.248 1.00 0.00 O ATOM 0 H SER A 2 28.795 -15.249 3.720 1.00 0.00 H new ATOM 0 HA SER A 2 28.481 -12.307 3.735 1.00 0.00 H new ATOM 0 HB2 SER A 2 31.096 -12.810 3.073 1.00 0.00 H new ATOM 0 HB3 SER A 2 30.531 -12.500 4.702 1.00 0.00 H new ATOM 0 HG SER A 2 31.779 -14.449 4.562 1.00 0.00 H new ATOM 21 N PRO A 3 28.197 -12.220 1.256 1.00 0.00 N ATOM 22 CA PRO A 3 28.067 -12.069 -0.184 1.00 0.00 C ATOM 23 C PRO A 3 29.024 -11.026 -0.752 1.00 0.00 C ATOM 24 O PRO A 3 29.120 -9.915 -0.234 1.00 0.00 O ATOM 25 CB PRO A 3 26.622 -11.595 -0.320 1.00 0.00 C ATOM 26 CG PRO A 3 26.362 -10.793 0.921 1.00 0.00 C ATOM 27 CD PRO A 3 27.370 -11.230 1.963 1.00 0.00 C ATOM 0 HA PRO A 3 28.303 -12.984 -0.728 1.00 0.00 H new ATOM 0 HB2 PRO A 3 26.487 -10.990 -1.217 1.00 0.00 H new ATOM 0 HB3 PRO A 3 25.935 -12.438 -0.397 1.00 0.00 H new ATOM 0 HG2 PRO A 3 26.460 -9.727 0.716 1.00 0.00 H new ATOM 0 HG3 PRO A 3 25.345 -10.957 1.278 1.00 0.00 H new ATOM 0 HD2 PRO A 3 27.967 -10.391 2.319 1.00 0.00 H new ATOM 0 HD3 PRO A 3 26.881 -11.666 2.835 1.00 0.00 H new ATOM 35 N PRO A 4 29.743 -11.370 -1.831 1.00 0.00 N ATOM 36 CA PRO A 4 30.690 -10.453 -2.473 1.00 0.00 C ATOM 37 C PRO A 4 30.041 -9.113 -2.809 1.00 0.00 C ATOM 38 O PRO A 4 29.659 -8.874 -3.952 1.00 0.00 O ATOM 39 CB PRO A 4 31.096 -11.192 -3.750 1.00 0.00 C ATOM 40 CG PRO A 4 30.859 -12.632 -3.447 1.00 0.00 C ATOM 41 CD PRO A 4 29.682 -12.675 -2.512 1.00 0.00 C ATOM 0 HA PRO A 4 31.534 -10.212 -1.827 1.00 0.00 H new ATOM 0 HB2 PRO A 4 30.502 -10.864 -4.603 1.00 0.00 H new ATOM 0 HB3 PRO A 4 32.141 -11.007 -3.999 1.00 0.00 H new ATOM 0 HG2 PRO A 4 30.653 -13.193 -4.359 1.00 0.00 H new ATOM 0 HG3 PRO A 4 31.738 -13.083 -2.987 1.00 0.00 H new ATOM 0 HD2 PRO A 4 28.744 -12.804 -3.052 1.00 0.00 H new ATOM 0 HD3 PRO A 4 29.759 -13.502 -1.806 1.00 0.00 H new ATOM 49 N GLU A 5 29.934 -8.254 -1.794 1.00 0.00 N ATOM 50 CA GLU A 5 29.338 -6.923 -1.938 1.00 0.00 C ATOM 51 C GLU A 5 28.580 -6.525 -0.677 1.00 0.00 C ATOM 52 O GLU A 5 27.429 -6.918 -0.489 1.00 0.00 O ATOM 53 CB GLU A 5 28.382 -6.865 -3.134 1.00 0.00 C ATOM 54 CG GLU A 5 29.038 -6.389 -4.421 1.00 0.00 C ATOM 55 CD GLU A 5 28.266 -5.266 -5.084 1.00 0.00 C ATOM 56 OE1 GLU A 5 27.129 -5.515 -5.538 1.00 0.00 O ATOM 57 OE2 GLU A 5 28.798 -4.139 -5.153 1.00 0.00 O ATOM 0 H GLU A 5 30.258 -8.460 -0.849 1.00 0.00 H new ATOM 0 HA GLU A 5 30.158 -6.224 -2.104 1.00 0.00 H new ATOM 0 HB2 GLU A 5 27.959 -7.856 -3.298 1.00 0.00 H new ATOM 0 HB3 GLU A 5 27.553 -6.200 -2.892 1.00 0.00 H new ATOM 0 HG2 GLU A 5 30.052 -6.051 -4.205 1.00 0.00 H new ATOM 0 HG3 GLU A 5 29.122 -7.226 -5.114 1.00 0.00 H new ATOM 64 N ALA A 6 29.236 -5.743 0.178 1.00 0.00 N ATOM 65 CA ALA A 6 28.639 -5.271 1.426 1.00 0.00 C ATOM 66 C ALA A 6 29.018 -6.167 2.595 1.00 0.00 C ATOM 67 O ALA A 6 28.305 -6.236 3.596 1.00 0.00 O ATOM 68 CB ALA A 6 27.128 -5.165 1.306 1.00 0.00 C ATOM 0 H ALA A 6 30.192 -5.420 0.027 1.00 0.00 H new ATOM 0 HA ALA A 6 29.037 -4.275 1.620 1.00 0.00 H new ATOM 0 HB1 ALA A 6 26.712 -4.812 2.249 1.00 0.00 H new ATOM 0 HB2 ALA A 6 26.874 -4.463 0.512 1.00 0.00 H new ATOM 0 HB3 ALA A 6 26.712 -6.145 1.070 1.00 0.00 H new ATOM 74 N ASP A 7 30.159 -6.833 2.472 1.00 0.00 N ATOM 75 CA ASP A 7 30.649 -7.703 3.528 1.00 0.00 C ATOM 76 C ASP A 7 31.466 -6.879 4.507 1.00 0.00 C ATOM 77 O ASP A 7 32.042 -5.864 4.130 1.00 0.00 O ATOM 78 CB ASP A 7 31.502 -8.833 2.947 1.00 0.00 C ATOM 79 CG ASP A 7 31.101 -10.195 3.480 1.00 0.00 C ATOM 80 OD1 ASP A 7 29.935 -10.592 3.277 1.00 0.00 O ATOM 81 OD2 ASP A 7 31.954 -10.864 4.101 1.00 0.00 O ATOM 0 H ASP A 7 30.761 -6.786 1.650 1.00 0.00 H new ATOM 0 HA ASP A 7 29.801 -8.154 4.044 1.00 0.00 H new ATOM 0 HB2 ASP A 7 31.412 -8.830 1.861 1.00 0.00 H new ATOM 0 HB3 ASP A 7 32.551 -8.649 3.180 1.00 0.00 H new ATOM 86 N PRO A 8 31.537 -7.300 5.774 1.00 0.00 N ATOM 87 CA PRO A 8 32.292 -6.590 6.790 1.00 0.00 C ATOM 88 C PRO A 8 33.499 -5.863 6.204 1.00 0.00 C ATOM 89 O PRO A 8 33.650 -4.655 6.369 1.00 0.00 O ATOM 90 CB PRO A 8 32.721 -7.724 7.715 1.00 0.00 C ATOM 91 CG PRO A 8 31.598 -8.713 7.648 1.00 0.00 C ATOM 92 CD PRO A 8 30.900 -8.508 6.319 1.00 0.00 C ATOM 0 HA PRO A 8 31.720 -5.806 7.285 1.00 0.00 H new ATOM 0 HB2 PRO A 8 33.661 -8.169 7.387 1.00 0.00 H new ATOM 0 HB3 PRO A 8 32.875 -7.368 8.734 1.00 0.00 H new ATOM 0 HG2 PRO A 8 31.977 -9.732 7.731 1.00 0.00 H new ATOM 0 HG3 PRO A 8 30.903 -8.563 8.475 1.00 0.00 H new ATOM 0 HD2 PRO A 8 31.036 -9.365 5.659 1.00 0.00 H new ATOM 0 HD3 PRO A 8 29.826 -8.371 6.447 1.00 0.00 H new ATOM 100 N ARG A 9 34.361 -6.613 5.531 1.00 0.00 N ATOM 101 CA ARG A 9 35.569 -6.054 4.930 1.00 0.00 C ATOM 102 C ARG A 9 35.275 -4.983 3.873 1.00 0.00 C ATOM 103 O ARG A 9 36.034 -4.027 3.736 1.00 0.00 O ATOM 104 CB ARG A 9 36.403 -7.173 4.304 1.00 0.00 C ATOM 105 CG ARG A 9 36.636 -8.348 5.236 1.00 0.00 C ATOM 106 CD ARG A 9 37.227 -9.534 4.494 1.00 0.00 C ATOM 107 NE ARG A 9 36.347 -10.005 3.430 1.00 0.00 N ATOM 108 CZ ARG A 9 36.381 -11.238 2.941 1.00 0.00 C ATOM 109 NH1 ARG A 9 37.240 -12.121 3.429 1.00 0.00 N ATOM 110 NH2 ARG A 9 35.552 -11.593 1.969 1.00 0.00 N ATOM 0 H ARG A 9 34.247 -7.616 5.386 1.00 0.00 H new ATOM 0 HA ARG A 9 36.123 -5.568 5.733 1.00 0.00 H new ATOM 0 HB2 ARG A 9 35.903 -7.528 3.403 1.00 0.00 H new ATOM 0 HB3 ARG A 9 37.367 -6.768 3.995 1.00 0.00 H new ATOM 0 HG2 ARG A 9 37.308 -8.049 6.041 1.00 0.00 H new ATOM 0 HG3 ARG A 9 35.693 -8.640 5.699 1.00 0.00 H new ATOM 0 HD2 ARG A 9 38.191 -9.253 4.070 1.00 0.00 H new ATOM 0 HD3 ARG A 9 37.413 -10.346 5.197 1.00 0.00 H new ATOM 0 HE ARG A 9 35.668 -9.351 3.041 1.00 0.00 H new ATOM 0 HH11 ARG A 9 37.875 -11.853 4.181 1.00 0.00 H new ATOM 0 HH12 ARG A 9 37.266 -13.069 3.053 1.00 0.00 H new ATOM 0 HH21 ARG A 9 34.886 -10.917 1.595 1.00 0.00 H new ATOM 0 HH22 ARG A 9 35.581 -12.542 1.595 1.00 0.00 H new ATOM 124 N LEU A 10 34.194 -5.145 3.111 1.00 0.00 N ATOM 125 CA LEU A 10 33.856 -4.183 2.065 1.00 0.00 C ATOM 126 C LEU A 10 32.844 -3.153 2.554 1.00 0.00 C ATOM 127 O LEU A 10 32.899 -1.982 2.184 1.00 0.00 O ATOM 128 CB LEU A 10 33.316 -4.908 0.832 1.00 0.00 C ATOM 129 CG LEU A 10 34.176 -6.074 0.340 1.00 0.00 C ATOM 130 CD1 LEU A 10 33.996 -6.277 -1.156 1.00 0.00 C ATOM 131 CD2 LEU A 10 35.643 -5.831 0.670 1.00 0.00 C ATOM 0 H LEU A 10 33.543 -5.926 3.197 1.00 0.00 H new ATOM 0 HA LEU A 10 34.769 -3.652 1.797 1.00 0.00 H new ATOM 0 HB2 LEU A 10 32.317 -5.282 1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 10 33.211 -4.187 0.022 1.00 0.00 H new ATOM 0 HG LEU A 10 33.851 -6.980 0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 10 34.616 -7.110 -1.487 1.00 0.00 H new ATOM 0 HD12 LEU A 10 32.950 -6.495 -1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 10 34.294 -5.371 -1.684 1.00 0.00 H new ATOM 0 HD21 LEU A 10 36.240 -6.670 0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 10 35.978 -4.914 0.184 1.00 0.00 H new ATOM 0 HD23 LEU A 10 35.762 -5.734 1.749 1.00 0.00 H new ATOM 143 N ILE A 11 31.950 -3.582 3.421 1.00 0.00 N ATOM 144 CA ILE A 11 30.965 -2.673 3.979 1.00 0.00 C ATOM 145 C ILE A 11 31.636 -1.780 5.007 1.00 0.00 C ATOM 146 O ILE A 11 31.161 -0.688 5.317 1.00 0.00 O ATOM 147 CB ILE A 11 29.790 -3.421 4.632 1.00 0.00 C ATOM 148 CG1 ILE A 11 28.664 -2.443 4.976 1.00 0.00 C ATOM 149 CG2 ILE A 11 30.264 -4.158 5.876 1.00 0.00 C ATOM 150 CD1 ILE A 11 27.587 -3.042 5.853 1.00 0.00 C ATOM 0 H ILE A 11 31.883 -4.544 3.753 1.00 0.00 H new ATOM 0 HA ILE A 11 30.559 -2.076 3.162 1.00 0.00 H new ATOM 0 HB ILE A 11 29.401 -4.154 3.925 1.00 0.00 H new ATOM 0 HG12 ILE A 11 29.090 -1.575 5.480 1.00 0.00 H new ATOM 0 HG13 ILE A 11 28.210 -2.085 4.052 1.00 0.00 H new ATOM 0 HG21 ILE A 11 29.424 -4.684 6.330 1.00 0.00 H new ATOM 0 HG22 ILE A 11 31.036 -4.877 5.601 1.00 0.00 H new ATOM 0 HG23 ILE A 11 30.672 -3.442 6.590 1.00 0.00 H new ATOM 0 HD11 ILE A 11 26.823 -2.291 6.055 1.00 0.00 H new ATOM 0 HD12 ILE A 11 27.134 -3.892 5.343 1.00 0.00 H new ATOM 0 HD13 ILE A 11 28.027 -3.375 6.793 1.00 0.00 H new ATOM 162 N GLU A 12 32.769 -2.257 5.504 1.00 0.00 N ATOM 163 CA GLU A 12 33.554 -1.509 6.473 1.00 0.00 C ATOM 164 C GLU A 12 34.676 -0.743 5.781 1.00 0.00 C ATOM 165 O GLU A 12 34.836 0.461 5.980 1.00 0.00 O ATOM 166 CB GLU A 12 34.136 -2.439 7.536 1.00 0.00 C ATOM 167 CG GLU A 12 34.590 -1.710 8.790 1.00 0.00 C ATOM 168 CD GLU A 12 33.427 -1.257 9.652 1.00 0.00 C ATOM 169 OE1 GLU A 12 32.407 -1.977 9.702 1.00 0.00 O ATOM 170 OE2 GLU A 12 33.536 -0.180 10.276 1.00 0.00 O ATOM 0 H GLU A 12 33.165 -3.162 5.250 1.00 0.00 H new ATOM 0 HA GLU A 12 32.890 -0.795 6.961 1.00 0.00 H new ATOM 0 HB2 GLU A 12 33.387 -3.183 7.808 1.00 0.00 H new ATOM 0 HB3 GLU A 12 34.982 -2.979 7.112 1.00 0.00 H new ATOM 0 HG2 GLU A 12 35.237 -2.365 9.373 1.00 0.00 H new ATOM 0 HG3 GLU A 12 35.187 -0.843 8.506 1.00 0.00 H new ATOM 177 N SER A 13 35.474 -1.463 4.994 1.00 0.00 N ATOM 178 CA SER A 13 36.610 -0.863 4.302 1.00 0.00 C ATOM 179 C SER A 13 36.301 -0.434 2.862 1.00 0.00 C ATOM 180 O SER A 13 36.771 0.612 2.420 1.00 0.00 O ATOM 181 CB SER A 13 37.791 -1.834 4.303 1.00 0.00 C ATOM 182 OG SER A 13 38.018 -2.362 5.598 1.00 0.00 O ATOM 0 H SER A 13 35.354 -2.461 4.821 1.00 0.00 H new ATOM 0 HA SER A 13 36.856 0.046 4.852 1.00 0.00 H new ATOM 0 HB2 SER A 13 37.597 -2.648 3.604 1.00 0.00 H new ATOM 0 HB3 SER A 13 38.687 -1.321 3.954 1.00 0.00 H new ATOM 0 HG SER A 13 38.559 -3.176 5.529 1.00 0.00 H new ATOM 188 N LEU A 14 35.539 -1.229 2.113 1.00 0.00 N ATOM 189 CA LEU A 14 35.248 -0.864 0.726 1.00 0.00 C ATOM 190 C LEU A 14 34.380 0.381 0.670 1.00 0.00 C ATOM 191 O LEU A 14 34.802 1.421 0.163 1.00 0.00 O ATOM 192 CB LEU A 14 34.587 -2.015 -0.042 1.00 0.00 C ATOM 193 CG LEU A 14 34.540 -1.826 -1.560 1.00 0.00 C ATOM 194 CD1 LEU A 14 35.379 -2.885 -2.255 1.00 0.00 C ATOM 195 CD2 LEU A 14 33.103 -1.869 -2.058 1.00 0.00 C ATOM 0 H LEU A 14 35.122 -2.105 2.429 1.00 0.00 H new ATOM 0 HA LEU A 14 36.200 -0.650 0.240 1.00 0.00 H new ATOM 0 HB2 LEU A 14 35.124 -2.937 0.179 1.00 0.00 H new ATOM 0 HB3 LEU A 14 33.569 -2.143 0.326 1.00 0.00 H new ATOM 0 HG LEU A 14 34.957 -0.848 -1.799 1.00 0.00 H new ATOM 0 HD11 LEU A 14 35.334 -2.735 -3.334 1.00 0.00 H new ATOM 0 HD12 LEU A 14 36.414 -2.807 -1.921 1.00 0.00 H new ATOM 0 HD13 LEU A 14 34.992 -3.874 -2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 14 33.088 -1.733 -3.139 1.00 0.00 H new ATOM 0 HD22 LEU A 14 32.660 -2.833 -1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 14 32.530 -1.072 -1.584 1.00 0.00 H new ATOM 207 N SER A 15 33.173 0.281 1.202 1.00 0.00 N ATOM 208 CA SER A 15 32.265 1.418 1.214 1.00 0.00 C ATOM 209 C SER A 15 33.023 2.689 1.587 1.00 0.00 C ATOM 210 O SER A 15 33.030 3.665 0.838 1.00 0.00 O ATOM 211 CB SER A 15 31.120 1.181 2.198 1.00 0.00 C ATOM 212 OG SER A 15 29.934 0.807 1.519 1.00 0.00 O ATOM 0 H SER A 15 32.801 -0.568 1.628 1.00 0.00 H new ATOM 0 HA SER A 15 31.844 1.536 0.216 1.00 0.00 H new ATOM 0 HB2 SER A 15 31.400 0.400 2.905 1.00 0.00 H new ATOM 0 HB3 SER A 15 30.941 2.087 2.778 1.00 0.00 H new ATOM 0 HG SER A 15 29.217 0.659 2.170 1.00 0.00 H new ATOM 218 N GLN A 16 33.648 2.670 2.762 1.00 0.00 N ATOM 219 CA GLN A 16 34.397 3.819 3.261 1.00 0.00 C ATOM 220 C GLN A 16 35.216 4.485 2.155 1.00 0.00 C ATOM 221 O GLN A 16 35.563 5.659 2.257 1.00 0.00 O ATOM 222 CB GLN A 16 35.301 3.396 4.428 1.00 0.00 C ATOM 223 CG GLN A 16 36.777 3.286 4.075 1.00 0.00 C ATOM 224 CD GLN A 16 37.426 4.641 3.881 1.00 0.00 C ATOM 225 OE1 GLN A 16 37.401 5.486 4.776 1.00 0.00 O ATOM 226 NE2 GLN A 16 38.005 4.857 2.706 1.00 0.00 N ATOM 0 H GLN A 16 33.650 1.866 3.389 1.00 0.00 H new ATOM 0 HA GLN A 16 33.679 4.556 3.620 1.00 0.00 H new ATOM 0 HB2 GLN A 16 35.187 4.116 5.239 1.00 0.00 H new ATOM 0 HB3 GLN A 16 34.958 2.433 4.806 1.00 0.00 H new ATOM 0 HG2 GLN A 16 37.298 2.746 4.866 1.00 0.00 H new ATOM 0 HG3 GLN A 16 36.887 2.699 3.163 1.00 0.00 H new ATOM 0 HE21 GLN A 16 38.001 4.127 1.994 1.00 0.00 H new ATOM 0 HE22 GLN A 16 38.454 5.753 2.516 1.00 0.00 H new ATOM 235 N MET A 17 35.535 3.737 1.107 1.00 0.00 N ATOM 236 CA MET A 17 36.314 4.281 0.007 1.00 0.00 C ATOM 237 C MET A 17 35.427 4.650 -1.181 1.00 0.00 C ATOM 238 O MET A 17 35.728 5.584 -1.921 1.00 0.00 O ATOM 239 CB MET A 17 37.380 3.280 -0.435 1.00 0.00 C ATOM 240 CG MET A 17 38.176 3.742 -1.644 1.00 0.00 C ATOM 241 SD MET A 17 39.616 2.709 -1.970 1.00 0.00 S ATOM 242 CE MET A 17 40.075 3.294 -3.599 1.00 0.00 C ATOM 0 H MET A 17 35.268 2.759 0.997 1.00 0.00 H new ATOM 0 HA MET A 17 36.797 5.190 0.365 1.00 0.00 H new ATOM 0 HB2 MET A 17 38.064 3.099 0.394 1.00 0.00 H new ATOM 0 HB3 MET A 17 36.901 2.329 -0.666 1.00 0.00 H new ATOM 0 HG2 MET A 17 37.529 3.742 -2.521 1.00 0.00 H new ATOM 0 HG3 MET A 17 38.501 4.771 -1.488 1.00 0.00 H new ATOM 0 HE1 MET A 17 41.109 3.019 -3.806 1.00 0.00 H new ATOM 0 HE2 MET A 17 39.423 2.841 -4.345 1.00 0.00 H new ATOM 0 HE3 MET A 17 39.973 4.379 -3.638 1.00 0.00 H new ATOM 252 N LEU A 18 34.342 3.904 -1.376 1.00 0.00 N ATOM 253 CA LEU A 18 33.443 4.158 -2.501 1.00 0.00 C ATOM 254 C LEU A 18 32.570 5.396 -2.291 1.00 0.00 C ATOM 255 O LEU A 18 32.730 6.398 -2.988 1.00 0.00 O ATOM 256 CB LEU A 18 32.564 2.935 -2.760 1.00 0.00 C ATOM 257 CG LEU A 18 33.240 1.817 -3.554 1.00 0.00 C ATOM 258 CD1 LEU A 18 33.305 2.178 -5.030 1.00 0.00 C ATOM 259 CD2 LEU A 18 34.636 1.546 -3.010 1.00 0.00 C ATOM 0 H LEU A 18 34.065 3.126 -0.777 1.00 0.00 H new ATOM 0 HA LEU A 18 34.070 4.352 -3.371 1.00 0.00 H new ATOM 0 HB2 LEU A 18 32.234 2.533 -1.802 1.00 0.00 H new ATOM 0 HB3 LEU A 18 31.671 3.254 -3.297 1.00 0.00 H new ATOM 0 HG LEU A 18 32.646 0.909 -3.446 1.00 0.00 H new ATOM 0 HD11 LEU A 18 33.789 1.372 -5.581 1.00 0.00 H new ATOM 0 HD12 LEU A 18 32.295 2.324 -5.414 1.00 0.00 H new ATOM 0 HD13 LEU A 18 33.877 3.097 -5.155 1.00 0.00 H new ATOM 0 HD21 LEU A 18 35.103 0.747 -3.587 1.00 0.00 H new ATOM 0 HD22 LEU A 18 35.239 2.451 -3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 18 34.567 1.246 -1.964 1.00 0.00 H new ATOM 271 N SER A 19 31.632 5.318 -1.353 1.00 0.00 N ATOM 272 CA SER A 19 30.710 6.420 -1.073 1.00 0.00 C ATOM 273 C SER A 19 31.360 7.536 -0.255 1.00 0.00 C ATOM 274 O SER A 19 30.672 8.430 0.237 1.00 0.00 O ATOM 275 CB SER A 19 29.475 5.894 -0.340 1.00 0.00 C ATOM 276 OG SER A 19 29.837 4.983 0.685 1.00 0.00 O ATOM 0 H SER A 19 31.487 4.496 -0.767 1.00 0.00 H new ATOM 0 HA SER A 19 30.421 6.848 -2.033 1.00 0.00 H new ATOM 0 HB2 SER A 19 28.921 6.728 0.090 1.00 0.00 H new ATOM 0 HB3 SER A 19 28.810 5.402 -1.049 1.00 0.00 H new ATOM 0 HG SER A 19 29.029 4.663 1.139 1.00 0.00 H new ATOM 282 N MET A 20 32.679 7.495 -0.130 1.00 0.00 N ATOM 283 CA MET A 20 33.400 8.523 0.609 1.00 0.00 C ATOM 284 C MET A 20 34.194 9.409 -0.349 1.00 0.00 C ATOM 285 O MET A 20 34.853 10.360 0.069 1.00 0.00 O ATOM 286 CB MET A 20 34.325 7.888 1.647 1.00 0.00 C ATOM 287 CG MET A 20 34.362 8.636 2.972 1.00 0.00 C ATOM 288 SD MET A 20 34.928 10.339 2.800 1.00 0.00 S ATOM 289 CE MET A 20 33.587 11.224 3.589 1.00 0.00 C ATOM 0 H MET A 20 33.270 6.765 -0.528 1.00 0.00 H new ATOM 0 HA MET A 20 32.675 9.146 1.133 1.00 0.00 H new ATOM 0 HB2 MET A 20 34.004 6.862 1.828 1.00 0.00 H new ATOM 0 HB3 MET A 20 35.335 7.839 1.239 1.00 0.00 H new ATOM 0 HG2 MET A 20 33.365 8.632 3.414 1.00 0.00 H new ATOM 0 HG3 MET A 20 35.019 8.108 3.663 1.00 0.00 H new ATOM 0 HE1 MET A 20 33.792 12.294 3.562 1.00 0.00 H new ATOM 0 HE2 MET A 20 32.656 11.019 3.061 1.00 0.00 H new ATOM 0 HE3 MET A 20 33.496 10.898 4.625 1.00 0.00 H new ATOM 299 N GLY A 21 34.117 9.093 -1.641 1.00 0.00 N ATOM 300 CA GLY A 21 34.822 9.871 -2.642 1.00 0.00 C ATOM 301 C GLY A 21 36.295 9.528 -2.724 1.00 0.00 C ATOM 302 O GLY A 21 37.128 10.407 -2.945 1.00 0.00 O ATOM 0 H GLY A 21 33.577 8.310 -2.010 1.00 0.00 H new ATOM 0 HA2 GLY A 21 34.361 9.705 -3.615 1.00 0.00 H new ATOM 0 HA3 GLY A 21 34.713 10.931 -2.414 1.00 0.00 H new ATOM 306 N PHE A 22 36.625 8.250 -2.552 1.00 0.00 N ATOM 307 CA PHE A 22 38.008 7.811 -2.614 1.00 0.00 C ATOM 308 C PHE A 22 38.134 6.648 -3.577 1.00 0.00 C ATOM 309 O PHE A 22 37.450 5.637 -3.439 1.00 0.00 O ATOM 310 CB PHE A 22 38.503 7.396 -1.229 1.00 0.00 C ATOM 311 CG PHE A 22 38.249 8.429 -0.170 1.00 0.00 C ATOM 312 CD1 PHE A 22 38.389 9.779 -0.452 1.00 0.00 C ATOM 313 CD2 PHE A 22 37.870 8.049 1.107 1.00 0.00 C ATOM 314 CE1 PHE A 22 38.154 10.731 0.521 1.00 0.00 C ATOM 315 CE2 PHE A 22 37.634 8.998 2.084 1.00 0.00 C ATOM 316 CZ PHE A 22 37.777 10.339 1.791 1.00 0.00 C ATOM 0 H PHE A 22 35.952 7.506 -2.369 1.00 0.00 H new ATOM 0 HA PHE A 22 38.621 8.640 -2.967 1.00 0.00 H new ATOM 0 HB2 PHE A 22 38.016 6.464 -0.941 1.00 0.00 H new ATOM 0 HB3 PHE A 22 39.573 7.194 -1.279 1.00 0.00 H new ATOM 0 HD1 PHE A 22 38.685 10.090 -1.443 1.00 0.00 H new ATOM 0 HD2 PHE A 22 37.758 7.001 1.342 1.00 0.00 H new ATOM 0 HE1 PHE A 22 38.265 11.780 0.289 1.00 0.00 H new ATOM 0 HE2 PHE A 22 37.338 8.690 3.076 1.00 0.00 H new ATOM 0 HZ PHE A 22 37.594 11.081 2.554 1.00 0.00 H new ATOM 326 N SER A 23 39.002 6.790 -4.561 1.00 0.00 N ATOM 327 CA SER A 23 39.181 5.734 -5.536 1.00 0.00 C ATOM 328 C SER A 23 40.637 5.282 -5.597 1.00 0.00 C ATOM 329 O SER A 23 41.457 5.675 -4.767 1.00 0.00 O ATOM 330 CB SER A 23 38.720 6.202 -6.919 1.00 0.00 C ATOM 331 OG SER A 23 37.381 6.662 -6.881 1.00 0.00 O ATOM 0 H SER A 23 39.586 7.614 -4.705 1.00 0.00 H new ATOM 0 HA SER A 23 38.572 4.885 -5.225 1.00 0.00 H new ATOM 0 HB2 SER A 23 39.372 7.001 -7.272 1.00 0.00 H new ATOM 0 HB3 SER A 23 38.806 5.382 -7.631 1.00 0.00 H new ATOM 0 HG SER A 23 37.111 6.957 -7.776 1.00 0.00 H new ATOM 337 N ASP A 24 40.952 4.468 -6.598 1.00 0.00 N ATOM 338 CA ASP A 24 42.311 3.977 -6.782 1.00 0.00 C ATOM 339 C ASP A 24 43.179 5.070 -7.391 1.00 0.00 C ATOM 340 O ASP A 24 42.906 5.544 -8.493 1.00 0.00 O ATOM 341 CB ASP A 24 42.321 2.738 -7.680 1.00 0.00 C ATOM 342 CG ASP A 24 41.927 3.058 -9.108 1.00 0.00 C ATOM 343 OD1 ASP A 24 40.763 3.455 -9.329 1.00 0.00 O ATOM 344 OD2 ASP A 24 42.782 2.914 -10.007 1.00 0.00 O ATOM 0 H ASP A 24 40.285 4.135 -7.294 1.00 0.00 H new ATOM 0 HA ASP A 24 42.714 3.700 -5.808 1.00 0.00 H new ATOM 0 HB2 ASP A 24 43.316 2.294 -7.671 1.00 0.00 H new ATOM 0 HB3 ASP A 24 41.636 1.993 -7.275 1.00 0.00 H new ATOM 349 N GLU A 25 44.220 5.474 -6.673 1.00 0.00 N ATOM 350 CA GLU A 25 45.112 6.519 -7.163 1.00 0.00 C ATOM 351 C GLU A 25 46.251 5.928 -7.988 1.00 0.00 C ATOM 352 O GLU A 25 47.354 6.472 -8.022 1.00 0.00 O ATOM 353 CB GLU A 25 45.673 7.339 -5.999 1.00 0.00 C ATOM 354 CG GLU A 25 45.988 8.780 -6.370 1.00 0.00 C ATOM 355 CD GLU A 25 47.345 9.232 -5.868 1.00 0.00 C ATOM 356 OE1 GLU A 25 47.879 8.593 -4.938 1.00 0.00 O ATOM 357 OE2 GLU A 25 47.873 10.229 -6.405 1.00 0.00 O ATOM 0 H GLU A 25 44.466 5.098 -5.757 1.00 0.00 H new ATOM 0 HA GLU A 25 44.530 7.178 -7.808 1.00 0.00 H new ATOM 0 HB2 GLU A 25 44.954 7.332 -5.180 1.00 0.00 H new ATOM 0 HB3 GLU A 25 46.580 6.860 -5.631 1.00 0.00 H new ATOM 0 HG2 GLU A 25 45.952 8.887 -7.454 1.00 0.00 H new ATOM 0 HG3 GLU A 25 45.218 9.433 -5.959 1.00 0.00 H new ATOM 364 N GLY A 26 45.973 4.812 -8.656 1.00 0.00 N ATOM 365 CA GLY A 26 46.988 4.169 -9.479 1.00 0.00 C ATOM 366 C GLY A 26 46.734 2.688 -9.749 1.00 0.00 C ATOM 367 O GLY A 26 47.600 2.008 -10.301 1.00 0.00 O ATOM 0 H GLY A 26 45.068 4.342 -8.644 1.00 0.00 H new ATOM 0 HA2 GLY A 26 47.052 4.694 -10.432 1.00 0.00 H new ATOM 0 HA3 GLY A 26 47.956 4.276 -8.990 1.00 0.00 H new ATOM 371 N GLY A 27 45.559 2.178 -9.374 1.00 0.00 N ATOM 372 CA GLY A 27 45.259 0.778 -9.608 1.00 0.00 C ATOM 373 C GLY A 27 45.821 -0.116 -8.526 1.00 0.00 C ATOM 374 O GLY A 27 46.053 -1.306 -8.746 1.00 0.00 O ATOM 0 H GLY A 27 44.817 2.708 -8.916 1.00 0.00 H new ATOM 0 HA2 GLY A 27 44.179 0.644 -9.663 1.00 0.00 H new ATOM 0 HA3 GLY A 27 45.667 0.477 -10.573 1.00 0.00 H new ATOM 378 N TRP A 28 46.050 0.464 -7.356 1.00 0.00 N ATOM 379 CA TRP A 28 46.598 -0.268 -6.225 1.00 0.00 C ATOM 380 C TRP A 28 45.496 -0.805 -5.326 1.00 0.00 C ATOM 381 O TRP A 28 45.652 -1.860 -4.730 1.00 0.00 O ATOM 382 CB TRP A 28 47.496 0.648 -5.406 1.00 0.00 C ATOM 383 CG TRP A 28 46.858 1.973 -5.159 1.00 0.00 C ATOM 384 CD1 TRP A 28 47.120 3.133 -5.817 1.00 0.00 C ATOM 385 CD2 TRP A 28 45.831 2.272 -4.205 1.00 0.00 C ATOM 386 NE1 TRP A 28 46.322 4.135 -5.332 1.00 0.00 N ATOM 387 CE2 TRP A 28 45.525 3.635 -4.342 1.00 0.00 C ATOM 388 CE3 TRP A 28 45.144 1.521 -3.248 1.00 0.00 C ATOM 389 CZ2 TRP A 28 44.558 4.265 -3.562 1.00 0.00 C ATOM 390 CZ3 TRP A 28 44.187 2.146 -2.474 1.00 0.00 C ATOM 391 CH2 TRP A 28 43.901 3.506 -2.634 1.00 0.00 C ATOM 0 H TRP A 28 45.862 1.448 -7.166 1.00 0.00 H new ATOM 0 HA TRP A 28 47.170 -1.108 -6.618 1.00 0.00 H new ATOM 0 HB2 TRP A 28 47.727 0.173 -4.453 1.00 0.00 H new ATOM 0 HB3 TRP A 28 48.442 0.792 -5.928 1.00 0.00 H new ATOM 0 HD1 TRP A 28 47.849 3.248 -6.605 1.00 0.00 H new ATOM 0 HE1 TRP A 28 46.323 5.101 -5.658 1.00 0.00 H new ATOM 0 HE3 TRP A 28 45.358 0.471 -3.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 44.335 5.315 -3.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 43.649 1.575 -1.732 1.00 0.00 H new ATOM 0 HH2 TRP A 28 43.147 3.965 -2.012 1.00 0.00 H new ATOM 402 N LEU A 29 44.394 -0.064 -5.210 1.00 0.00 N ATOM 403 CA LEU A 29 43.288 -0.480 -4.349 1.00 0.00 C ATOM 404 C LEU A 29 43.133 -1.994 -4.374 1.00 0.00 C ATOM 405 O LEU A 29 43.451 -2.675 -3.399 1.00 0.00 O ATOM 406 CB LEU A 29 41.985 0.203 -4.779 1.00 0.00 C ATOM 407 CG LEU A 29 40.708 -0.389 -4.177 1.00 0.00 C ATOM 408 CD1 LEU A 29 40.581 -0.016 -2.705 1.00 0.00 C ATOM 409 CD2 LEU A 29 39.489 0.084 -4.955 1.00 0.00 C ATOM 0 H LEU A 29 44.244 0.820 -5.697 1.00 0.00 H new ATOM 0 HA LEU A 29 43.513 -0.175 -3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 29 42.040 1.257 -4.508 1.00 0.00 H new ATOM 0 HB3 LEU A 29 41.911 0.156 -5.865 1.00 0.00 H new ATOM 0 HG LEU A 29 40.766 -1.475 -4.248 1.00 0.00 H new ATOM 0 HD11 LEU A 29 39.666 -0.447 -2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 29 41.440 -0.402 -2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 29 40.546 1.069 -2.606 1.00 0.00 H new ATOM 0 HD21 LEU A 29 38.588 -0.345 -4.516 1.00 0.00 H new ATOM 0 HD22 LEU A 29 39.431 1.172 -4.914 1.00 0.00 H new ATOM 0 HD23 LEU A 29 39.574 -0.236 -5.994 1.00 0.00 H new ATOM 421 N THR A 30 42.655 -2.523 -5.494 1.00 0.00 N ATOM 422 CA THR A 30 42.479 -3.961 -5.633 1.00 0.00 C ATOM 423 C THR A 30 43.647 -4.701 -4.986 1.00 0.00 C ATOM 424 O THR A 30 43.496 -5.820 -4.501 1.00 0.00 O ATOM 425 CB THR A 30 42.368 -4.342 -7.109 1.00 0.00 C ATOM 426 OG1 THR A 30 41.552 -3.417 -7.805 1.00 0.00 O ATOM 427 CG2 THR A 30 41.788 -5.722 -7.331 1.00 0.00 C ATOM 0 H THR A 30 42.384 -1.980 -6.314 1.00 0.00 H new ATOM 0 HA THR A 30 41.557 -4.249 -5.127 1.00 0.00 H new ATOM 0 HB THR A 30 43.390 -4.331 -7.487 1.00 0.00 H new ATOM 0 HG1 THR A 30 41.494 -3.677 -8.748 1.00 0.00 H new ATOM 0 HG21 THR A 30 41.737 -5.928 -8.400 1.00 0.00 H new ATOM 0 HG22 THR A 30 42.422 -6.465 -6.848 1.00 0.00 H new ATOM 0 HG23 THR A 30 40.786 -5.768 -6.905 1.00 0.00 H new ATOM 435 N ARG A 31 44.815 -4.065 -4.986 1.00 0.00 N ATOM 436 CA ARG A 31 46.016 -4.651 -4.400 1.00 0.00 C ATOM 437 C ARG A 31 46.166 -4.237 -2.933 1.00 0.00 C ATOM 438 O ARG A 31 46.261 -5.086 -2.046 1.00 0.00 O ATOM 439 CB ARG A 31 47.250 -4.232 -5.219 1.00 0.00 C ATOM 440 CG ARG A 31 48.222 -3.312 -4.488 1.00 0.00 C ATOM 441 CD ARG A 31 49.490 -3.090 -5.297 1.00 0.00 C ATOM 442 NE ARG A 31 50.664 -2.921 -4.443 1.00 0.00 N ATOM 443 CZ ARG A 31 51.758 -2.264 -4.817 1.00 0.00 C ATOM 444 NH1 ARG A 31 51.825 -1.714 -6.022 1.00 0.00 N ATOM 445 NH2 ARG A 31 52.788 -2.156 -3.986 1.00 0.00 N ATOM 0 H ARG A 31 44.955 -3.138 -5.388 1.00 0.00 H new ATOM 0 HA ARG A 31 45.928 -5.737 -4.428 1.00 0.00 H new ATOM 0 HB2 ARG A 31 47.785 -5.130 -5.528 1.00 0.00 H new ATOM 0 HB3 ARG A 31 46.913 -3.733 -6.127 1.00 0.00 H new ATOM 0 HG2 ARG A 31 47.741 -2.354 -4.292 1.00 0.00 H new ATOM 0 HG3 ARG A 31 48.477 -3.744 -3.520 1.00 0.00 H new ATOM 0 HD2 ARG A 31 49.647 -3.937 -5.965 1.00 0.00 H new ATOM 0 HD3 ARG A 31 49.369 -2.207 -5.925 1.00 0.00 H new ATOM 0 HE ARG A 31 50.643 -3.330 -3.509 1.00 0.00 H new ATOM 0 HH11 ARG A 31 51.036 -1.794 -6.664 1.00 0.00 H new ATOM 0 HH12 ARG A 31 52.665 -1.210 -6.307 1.00 0.00 H new ATOM 0 HH21 ARG A 31 52.741 -2.578 -3.058 1.00 0.00 H new ATOM 0 HH22 ARG A 31 53.626 -1.652 -4.275 1.00 0.00 H new ATOM 459 N LEU A 32 46.186 -2.929 -2.688 1.00 0.00 N ATOM 460 CA LEU A 32 46.322 -2.402 -1.337 1.00 0.00 C ATOM 461 C LEU A 32 45.389 -3.129 -0.369 1.00 0.00 C ATOM 462 O LEU A 32 45.842 -3.803 0.555 1.00 0.00 O ATOM 463 CB LEU A 32 46.020 -0.901 -1.348 1.00 0.00 C ATOM 464 CG LEU A 32 46.353 -0.148 -0.062 1.00 0.00 C ATOM 465 CD1 LEU A 32 45.386 -0.525 1.047 1.00 0.00 C ATOM 466 CD2 LEU A 32 47.789 -0.421 0.353 1.00 0.00 C ATOM 0 H LEU A 32 46.109 -2.214 -3.412 1.00 0.00 H new ATOM 0 HA LEU A 32 47.344 -2.564 -0.995 1.00 0.00 H new ATOM 0 HB2 LEU A 32 46.573 -0.444 -2.168 1.00 0.00 H new ATOM 0 HB3 LEU A 32 44.960 -0.764 -1.563 1.00 0.00 H new ATOM 0 HG LEU A 32 46.248 0.921 -0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 32 45.641 0.023 1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 32 44.370 -0.273 0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 32 45.452 -1.596 1.239 1.00 0.00 H new ATOM 0 HD21 LEU A 32 48.012 0.122 1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 32 47.922 -1.490 0.522 1.00 0.00 H new ATOM 0 HD23 LEU A 32 48.465 -0.092 -0.436 1.00 0.00 H new ATOM 478 N LEU A 33 44.085 -2.980 -0.585 1.00 0.00 N ATOM 479 CA LEU A 33 43.080 -3.615 0.267 1.00 0.00 C ATOM 480 C LEU A 33 43.265 -5.132 0.327 1.00 0.00 C ATOM 481 O LEU A 33 43.588 -5.694 1.373 1.00 0.00 O ATOM 482 CB LEU A 33 41.678 -3.297 -0.257 1.00 0.00 C ATOM 483 CG LEU A 33 40.869 -2.312 0.589 1.00 0.00 C ATOM 484 CD1 LEU A 33 41.532 -0.943 0.594 1.00 0.00 C ATOM 485 CD2 LEU A 33 39.442 -2.217 0.070 1.00 0.00 C ATOM 0 H LEU A 33 43.697 -2.423 -1.346 1.00 0.00 H new ATOM 0 HA LEU A 33 43.203 -3.217 1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 33 41.768 -2.894 -1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 33 41.118 -4.229 -0.335 1.00 0.00 H new ATOM 0 HG LEU A 33 40.838 -2.679 1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 33 40.943 -0.255 1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 33 42.536 -1.026 1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 33 41.594 -0.565 -0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 33 38.878 -1.513 0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 33 39.453 -1.872 -0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 33 38.971 -3.199 0.120 1.00 0.00 H new ATOM 497 N GLN A 34 43.042 -5.783 -0.809 1.00 0.00 N ATOM 498 CA GLN A 34 43.160 -7.235 -0.922 1.00 0.00 C ATOM 499 C GLN A 34 44.257 -7.802 -0.021 1.00 0.00 C ATOM 500 O GLN A 34 44.126 -8.910 0.501 1.00 0.00 O ATOM 501 CB GLN A 34 43.436 -7.605 -2.373 1.00 0.00 C ATOM 502 CG GLN A 34 42.185 -7.655 -3.237 1.00 0.00 C ATOM 503 CD GLN A 34 41.018 -8.328 -2.542 1.00 0.00 C ATOM 504 OE1 GLN A 34 40.075 -7.525 -2.061 1.00 0.00 O flip ATOM 505 NE2 GLN A 34 40.963 -9.552 -2.439 1.00 0.00 N flip ATOM 0 H GLN A 34 42.774 -5.321 -1.678 1.00 0.00 H new ATOM 0 HA GLN A 34 42.218 -7.672 -0.592 1.00 0.00 H new ATOM 0 HB2 GLN A 34 44.132 -6.882 -2.798 1.00 0.00 H new ATOM 0 HB3 GLN A 34 43.928 -8.577 -2.404 1.00 0.00 H new ATOM 0 HG2 GLN A 34 41.900 -6.640 -3.515 1.00 0.00 H new ATOM 0 HG3 GLN A 34 42.408 -8.188 -4.161 1.00 0.00 H new ATOM 0 HE21 GLN A 34 41.710 -10.130 -2.824 1.00 0.00 H new ATOM 0 HE22 GLN A 34 40.170 -9.989 -1.969 1.00 0.00 H new ATOM 514 N THR A 35 45.330 -7.043 0.168 1.00 0.00 N ATOM 515 CA THR A 35 46.428 -7.493 1.021 1.00 0.00 C ATOM 516 C THR A 35 46.022 -7.385 2.484 1.00 0.00 C ATOM 517 O THR A 35 45.912 -8.385 3.193 1.00 0.00 O ATOM 518 CB THR A 35 47.681 -6.655 0.763 1.00 0.00 C ATOM 519 OG1 THR A 35 48.211 -6.929 -0.521 1.00 0.00 O ATOM 520 CG2 THR A 35 48.780 -6.892 1.774 1.00 0.00 C ATOM 0 H THR A 35 45.465 -6.123 -0.252 1.00 0.00 H new ATOM 0 HA THR A 35 46.651 -8.534 0.787 1.00 0.00 H new ATOM 0 HB THR A 35 47.356 -5.618 0.843 1.00 0.00 H new ATOM 0 HG1 THR A 35 47.744 -6.386 -1.190 1.00 0.00 H new ATOM 0 HG21 THR A 35 49.639 -6.266 1.531 1.00 0.00 H new ATOM 0 HG22 THR A 35 48.418 -6.641 2.771 1.00 0.00 H new ATOM 0 HG23 THR A 35 49.077 -7.941 1.750 1.00 0.00 H new ATOM 528 N LYS A 36 45.791 -6.154 2.916 1.00 0.00 N ATOM 529 CA LYS A 36 45.382 -5.863 4.290 1.00 0.00 C ATOM 530 C LYS A 36 43.939 -6.314 4.561 1.00 0.00 C ATOM 531 O LYS A 36 43.184 -5.609 5.229 1.00 0.00 O ATOM 532 CB LYS A 36 45.525 -4.366 4.571 1.00 0.00 C ATOM 533 CG LYS A 36 46.965 -3.877 4.545 1.00 0.00 C ATOM 534 CD LYS A 36 47.170 -2.798 3.493 1.00 0.00 C ATOM 535 CE LYS A 36 48.520 -2.117 3.654 1.00 0.00 C ATOM 536 NZ LYS A 36 49.556 -2.720 2.770 1.00 0.00 N ATOM 0 H LYS A 36 45.881 -5.326 2.327 1.00 0.00 H new ATOM 0 HA LYS A 36 46.036 -6.424 4.958 1.00 0.00 H new ATOM 0 HB2 LYS A 36 44.948 -3.809 3.833 1.00 0.00 H new ATOM 0 HB3 LYS A 36 45.092 -4.145 5.547 1.00 0.00 H new ATOM 0 HG2 LYS A 36 47.235 -3.486 5.526 1.00 0.00 H new ATOM 0 HG3 LYS A 36 47.631 -4.715 4.342 1.00 0.00 H new ATOM 0 HD2 LYS A 36 47.099 -3.239 2.499 1.00 0.00 H new ATOM 0 HD3 LYS A 36 46.375 -2.056 3.570 1.00 0.00 H new ATOM 0 HE2 LYS A 36 48.421 -1.056 3.425 1.00 0.00 H new ATOM 0 HE3 LYS A 36 48.842 -2.190 4.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 50.461 -2.228 2.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 49.670 -3.727 3.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 49.262 -2.627 1.777 1.00 0.00 H new ATOM 550 N ASN A 37 43.556 -7.482 4.037 1.00 0.00 N ATOM 551 CA ASN A 37 42.207 -8.000 4.225 1.00 0.00 C ATOM 552 C ASN A 37 41.180 -6.925 3.902 1.00 0.00 C ATOM 553 O ASN A 37 40.207 -6.738 4.631 1.00 0.00 O ATOM 554 CB ASN A 37 42.017 -8.502 5.659 1.00 0.00 C ATOM 555 CG ASN A 37 41.847 -7.371 6.656 1.00 0.00 C ATOM 556 OD1 ASN A 37 40.735 -6.898 6.892 1.00 0.00 O ATOM 557 ND2 ASN A 37 42.951 -6.935 7.249 1.00 0.00 N ATOM 0 H ASN A 37 44.164 -8.083 3.480 1.00 0.00 H new ATOM 0 HA ASN A 37 42.062 -8.839 3.545 1.00 0.00 H new ATOM 0 HB2 ASN A 37 41.143 -9.152 5.700 1.00 0.00 H new ATOM 0 HB3 ASN A 37 42.877 -9.107 5.945 1.00 0.00 H new ATOM 0 HD21 ASN A 37 42.899 -6.178 7.931 1.00 0.00 H new ATOM 0 HD22 ASN A 37 43.852 -7.357 7.023 1.00 0.00 H new ATOM 564 N TYR A 38 41.418 -6.211 2.809 1.00 0.00 N ATOM 565 CA TYR A 38 40.528 -5.139 2.394 1.00 0.00 C ATOM 566 C TYR A 38 40.413 -4.113 3.511 1.00 0.00 C ATOM 567 O TYR A 38 39.341 -3.916 4.081 1.00 0.00 O ATOM 568 CB TYR A 38 39.143 -5.686 2.040 1.00 0.00 C ATOM 569 CG TYR A 38 39.161 -7.082 1.451 1.00 0.00 C ATOM 570 CD1 TYR A 38 40.295 -7.585 0.824 1.00 0.00 C ATOM 571 CD2 TYR A 38 38.036 -7.894 1.521 1.00 0.00 C ATOM 572 CE1 TYR A 38 40.305 -8.858 0.284 1.00 0.00 C ATOM 573 CE2 TYR A 38 38.039 -9.166 0.983 1.00 0.00 C ATOM 574 CZ TYR A 38 39.175 -9.644 0.365 1.00 0.00 C ATOM 575 OH TYR A 38 39.182 -10.910 -0.175 1.00 0.00 O ATOM 0 H TYR A 38 42.220 -6.356 2.196 1.00 0.00 H new ATOM 0 HA TYR A 38 40.943 -4.665 1.505 1.00 0.00 H new ATOM 0 HB2 TYR A 38 38.525 -5.690 2.938 1.00 0.00 H new ATOM 0 HB3 TYR A 38 38.668 -5.010 1.330 1.00 0.00 H new ATOM 0 HD1 TYR A 38 41.182 -6.972 0.758 1.00 0.00 H new ATOM 0 HD2 TYR A 38 37.144 -7.524 2.004 1.00 0.00 H new ATOM 0 HE1 TYR A 38 41.194 -9.235 -0.199 1.00 0.00 H new ATOM 0 HE2 TYR A 38 37.155 -9.784 1.046 1.00 0.00 H new ATOM 0 HH TYR A 38 38.309 -11.331 -0.032 1.00 0.00 H new ATOM 585 N ASP A 39 41.532 -3.474 3.832 1.00 0.00 N ATOM 586 CA ASP A 39 41.558 -2.482 4.901 1.00 0.00 C ATOM 587 C ASP A 39 41.944 -1.108 4.382 1.00 0.00 C ATOM 588 O ASP A 39 43.000 -0.936 3.773 1.00 0.00 O ATOM 589 CB ASP A 39 42.528 -2.914 5.999 1.00 0.00 C ATOM 590 CG ASP A 39 41.852 -3.745 7.073 1.00 0.00 C ATOM 591 OD1 ASP A 39 40.606 -3.706 7.155 1.00 0.00 O ATOM 592 OD2 ASP A 39 42.568 -4.432 7.830 1.00 0.00 O ATOM 0 H ASP A 39 42.429 -3.624 3.370 1.00 0.00 H new ATOM 0 HA ASP A 39 40.551 -2.415 5.312 1.00 0.00 H new ATOM 0 HB2 ASP A 39 43.341 -3.489 5.556 1.00 0.00 H new ATOM 0 HB3 ASP A 39 42.974 -2.030 6.454 1.00 0.00 H new ATOM 597 N ILE A 40 41.083 -0.126 4.634 1.00 0.00 N ATOM 598 CA ILE A 40 41.339 1.229 4.200 1.00 0.00 C ATOM 599 C ILE A 40 42.346 1.862 5.120 1.00 0.00 C ATOM 600 O ILE A 40 42.967 2.871 4.787 1.00 0.00 O ATOM 601 CB ILE A 40 40.061 2.088 4.189 1.00 0.00 C ATOM 602 CG1 ILE A 40 39.570 2.343 5.617 1.00 0.00 C ATOM 603 CG2 ILE A 40 38.984 1.416 3.358 1.00 0.00 C ATOM 604 CD1 ILE A 40 38.771 1.197 6.203 1.00 0.00 C ATOM 0 H ILE A 40 40.204 -0.251 5.137 1.00 0.00 H new ATOM 0 HA ILE A 40 41.719 1.182 3.180 1.00 0.00 H new ATOM 0 HB ILE A 40 40.293 3.052 3.736 1.00 0.00 H new ATOM 0 HG12 ILE A 40 40.430 2.539 6.257 1.00 0.00 H new ATOM 0 HG13 ILE A 40 38.956 3.243 5.625 1.00 0.00 H new ATOM 0 HG21 ILE A 40 38.086 2.034 3.358 1.00 0.00 H new ATOM 0 HG22 ILE A 40 39.338 1.292 2.335 1.00 0.00 H new ATOM 0 HG23 ILE A 40 38.753 0.439 3.783 1.00 0.00 H new ATOM 0 HD11 ILE A 40 38.458 1.452 7.216 1.00 0.00 H new ATOM 0 HD12 ILE A 40 37.891 1.014 5.586 1.00 0.00 H new ATOM 0 HD13 ILE A 40 39.388 0.299 6.229 1.00 0.00 H new ATOM 616 N GLY A 41 42.502 1.250 6.289 1.00 0.00 N ATOM 617 CA GLY A 41 43.436 1.749 7.254 1.00 0.00 C ATOM 618 C GLY A 41 44.666 2.306 6.585 1.00 0.00 C ATOM 619 O GLY A 41 45.170 3.370 6.943 1.00 0.00 O ATOM 0 H GLY A 41 41.992 0.415 6.577 1.00 0.00 H new ATOM 0 HA2 GLY A 41 42.962 2.526 7.855 1.00 0.00 H new ATOM 0 HA3 GLY A 41 43.721 0.948 7.936 1.00 0.00 H new ATOM 623 N ALA A 42 45.117 1.580 5.578 1.00 0.00 N ATOM 624 CA ALA A 42 46.269 1.977 4.790 1.00 0.00 C ATOM 625 C ALA A 42 45.819 2.604 3.485 1.00 0.00 C ATOM 626 O ALA A 42 46.446 3.533 2.979 1.00 0.00 O ATOM 627 CB ALA A 42 47.181 0.789 4.532 1.00 0.00 C ATOM 0 H ALA A 42 44.695 0.699 5.284 1.00 0.00 H new ATOM 0 HA ALA A 42 46.836 2.718 5.353 1.00 0.00 H new ATOM 0 HB1 ALA A 42 48.038 1.110 3.940 1.00 0.00 H new ATOM 0 HB2 ALA A 42 47.528 0.384 5.482 1.00 0.00 H new ATOM 0 HB3 ALA A 42 46.632 0.020 3.989 1.00 0.00 H new ATOM 633 N ALA A 43 44.713 2.102 2.955 1.00 0.00 N ATOM 634 CA ALA A 43 44.175 2.643 1.715 1.00 0.00 C ATOM 635 C ALA A 43 43.999 4.141 1.871 1.00 0.00 C ATOM 636 O ALA A 43 44.413 4.926 1.018 1.00 0.00 O ATOM 637 CB ALA A 43 42.850 1.981 1.356 1.00 0.00 C ATOM 0 H ALA A 43 44.177 1.333 3.357 1.00 0.00 H new ATOM 0 HA ALA A 43 44.871 2.437 0.902 1.00 0.00 H new ATOM 0 HB1 ALA A 43 42.472 2.405 0.426 1.00 0.00 H new ATOM 0 HB2 ALA A 43 43.001 0.909 1.231 1.00 0.00 H new ATOM 0 HB3 ALA A 43 42.128 2.155 2.154 1.00 0.00 H new ATOM 643 N LEU A 44 43.417 4.523 3.002 1.00 0.00 N ATOM 644 CA LEU A 44 43.209 5.924 3.324 1.00 0.00 C ATOM 645 C LEU A 44 44.488 6.703 3.062 1.00 0.00 C ATOM 646 O LEU A 44 44.555 7.529 2.152 1.00 0.00 O ATOM 647 CB LEU A 44 42.798 6.077 4.789 1.00 0.00 C ATOM 648 CG LEU A 44 41.325 6.411 5.018 1.00 0.00 C ATOM 649 CD1 LEU A 44 40.445 5.235 4.622 1.00 0.00 C ATOM 650 CD2 LEU A 44 41.089 6.795 6.472 1.00 0.00 C ATOM 0 H LEU A 44 43.080 3.875 3.714 1.00 0.00 H new ATOM 0 HA LEU A 44 42.410 6.317 2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 44 43.030 5.150 5.314 1.00 0.00 H new ATOM 0 HB3 LEU A 44 43.407 6.860 5.241 1.00 0.00 H new ATOM 0 HG LEU A 44 41.059 7.262 4.391 1.00 0.00 H new ATOM 0 HD11 LEU A 44 39.399 5.490 4.792 1.00 0.00 H new ATOM 0 HD12 LEU A 44 40.596 5.006 3.567 1.00 0.00 H new ATOM 0 HD13 LEU A 44 40.708 4.365 5.223 1.00 0.00 H new ATOM 0 HD21 LEU A 44 40.035 7.030 6.620 1.00 0.00 H new ATOM 0 HD22 LEU A 44 41.369 5.963 7.118 1.00 0.00 H new ATOM 0 HD23 LEU A 44 41.694 7.667 6.721 1.00 0.00 H new ATOM 662 N ASP A 45 45.502 6.430 3.873 1.00 0.00 N ATOM 663 CA ASP A 45 46.786 7.100 3.742 1.00 0.00 C ATOM 664 C ASP A 45 47.184 7.249 2.274 1.00 0.00 C ATOM 665 O ASP A 45 47.909 8.175 1.916 1.00 0.00 O ATOM 666 CB ASP A 45 47.863 6.315 4.496 1.00 0.00 C ATOM 667 CG ASP A 45 49.265 6.795 4.178 1.00 0.00 C ATOM 668 OD1 ASP A 45 49.628 6.818 2.983 1.00 0.00 O ATOM 669 OD2 ASP A 45 50.003 7.145 5.125 1.00 0.00 O ATOM 0 H ASP A 45 45.458 5.747 4.630 1.00 0.00 H new ATOM 0 HA ASP A 45 46.694 8.097 4.172 1.00 0.00 H new ATOM 0 HB2 ASP A 45 47.687 6.403 5.568 1.00 0.00 H new ATOM 0 HB3 ASP A 45 47.779 5.258 4.245 1.00 0.00 H new ATOM 674 N THR A 46 46.728 6.322 1.431 1.00 0.00 N ATOM 675 CA THR A 46 47.069 6.350 0.008 1.00 0.00 C ATOM 676 C THR A 46 45.996 7.015 -0.861 1.00 0.00 C ATOM 677 O THR A 46 46.323 7.770 -1.776 1.00 0.00 O ATOM 678 CB THR A 46 47.329 4.931 -0.500 1.00 0.00 C ATOM 679 OG1 THR A 46 46.115 4.297 -0.861 1.00 0.00 O ATOM 680 CG2 THR A 46 48.026 4.049 0.512 1.00 0.00 C ATOM 0 H THR A 46 46.125 5.547 1.706 1.00 0.00 H new ATOM 0 HA THR A 46 47.971 6.956 -0.078 1.00 0.00 H new ATOM 0 HB THR A 46 47.984 5.050 -1.363 1.00 0.00 H new ATOM 0 HG1 THR A 46 45.521 4.261 -0.083 1.00 0.00 H new ATOM 0 HG21 THR A 46 48.179 3.057 0.086 1.00 0.00 H new ATOM 0 HG22 THR A 46 48.991 4.485 0.772 1.00 0.00 H new ATOM 0 HG23 THR A 46 47.411 3.968 1.408 1.00 0.00 H new ATOM 688 N ILE A 47 44.725 6.704 -0.615 1.00 0.00 N ATOM 689 CA ILE A 47 43.650 7.263 -1.445 1.00 0.00 C ATOM 690 C ILE A 47 43.593 8.784 -1.367 1.00 0.00 C ATOM 691 O ILE A 47 43.358 9.444 -2.378 1.00 0.00 O ATOM 692 CB ILE A 47 42.243 6.709 -1.101 1.00 0.00 C ATOM 693 CG1 ILE A 47 42.236 5.964 0.234 1.00 0.00 C ATOM 694 CG2 ILE A 47 41.747 5.802 -2.218 1.00 0.00 C ATOM 695 CD1 ILE A 47 40.873 5.907 0.891 1.00 0.00 C ATOM 0 H ILE A 47 44.415 6.084 0.133 1.00 0.00 H new ATOM 0 HA ILE A 47 43.907 6.949 -2.457 1.00 0.00 H new ATOM 0 HB ILE A 47 41.568 7.559 -1.004 1.00 0.00 H new ATOM 0 HG12 ILE A 47 42.596 4.947 0.075 1.00 0.00 H new ATOM 0 HG13 ILE A 47 42.937 6.448 0.914 1.00 0.00 H new ATOM 0 HG21 ILE A 47 40.758 5.420 -1.964 1.00 0.00 H new ATOM 0 HG22 ILE A 47 41.690 6.368 -3.148 1.00 0.00 H new ATOM 0 HG23 ILE A 47 42.437 4.968 -2.343 1.00 0.00 H new ATOM 0 HD11 ILE A 47 40.946 5.364 1.833 1.00 0.00 H new ATOM 0 HD12 ILE A 47 40.519 6.920 1.083 1.00 0.00 H new ATOM 0 HD13 ILE A 47 40.172 5.396 0.231 1.00 0.00 H new ATOM 707 N GLN A 48 43.807 9.350 -0.187 1.00 0.00 N ATOM 708 CA GLN A 48 43.764 10.802 -0.051 1.00 0.00 C ATOM 709 C GLN A 48 44.236 11.267 1.319 1.00 0.00 C ATOM 710 O GLN A 48 43.810 12.317 1.802 1.00 0.00 O ATOM 711 CB GLN A 48 42.343 11.310 -0.308 1.00 0.00 C ATOM 712 CG GLN A 48 42.115 11.776 -1.737 1.00 0.00 C ATOM 713 CD GLN A 48 40.891 11.143 -2.370 1.00 0.00 C ATOM 714 OE1 GLN A 48 39.792 11.694 -2.313 1.00 0.00 O ATOM 715 NE2 GLN A 48 41.075 9.975 -2.976 1.00 0.00 N ATOM 0 H GLN A 48 44.008 8.841 0.673 1.00 0.00 H new ATOM 0 HA GLN A 48 44.447 11.217 -0.792 1.00 0.00 H new ATOM 0 HB2 GLN A 48 41.634 10.515 -0.076 1.00 0.00 H new ATOM 0 HB3 GLN A 48 42.132 12.135 0.373 1.00 0.00 H new ATOM 0 HG2 GLN A 48 42.005 12.860 -1.748 1.00 0.00 H new ATOM 0 HG3 GLN A 48 42.993 11.538 -2.337 1.00 0.00 H new ATOM 0 HE21 GLN A 48 42.004 9.553 -3.000 1.00 0.00 H new ATOM 0 HE22 GLN A 48 40.288 9.500 -3.417 1.00 0.00 H new ATOM 724 N TYR A 49 45.119 10.500 1.949 1.00 0.00 N ATOM 725 CA TYR A 49 45.634 10.868 3.260 1.00 0.00 C ATOM 726 C TYR A 49 47.144 10.654 3.325 1.00 0.00 C ATOM 727 O TYR A 49 47.715 10.522 4.407 1.00 0.00 O ATOM 728 CB TYR A 49 44.936 10.052 4.352 1.00 0.00 C ATOM 729 CG TYR A 49 43.495 10.455 4.579 1.00 0.00 C ATOM 730 CD1 TYR A 49 43.178 11.618 5.270 1.00 0.00 C ATOM 731 CD2 TYR A 49 42.452 9.672 4.099 1.00 0.00 C ATOM 732 CE1 TYR A 49 41.863 11.989 5.478 1.00 0.00 C ATOM 733 CE2 TYR A 49 41.135 10.036 4.303 1.00 0.00 C ATOM 734 CZ TYR A 49 40.845 11.195 4.992 1.00 0.00 C ATOM 735 OH TYR A 49 39.533 11.561 5.195 1.00 0.00 O ATOM 0 H TYR A 49 45.490 9.626 1.576 1.00 0.00 H new ATOM 0 HA TYR A 49 45.429 11.926 3.426 1.00 0.00 H new ATOM 0 HB2 TYR A 49 44.972 8.996 4.084 1.00 0.00 H new ATOM 0 HB3 TYR A 49 45.487 10.163 5.286 1.00 0.00 H new ATOM 0 HD1 TYR A 49 43.972 12.243 5.651 1.00 0.00 H new ATOM 0 HD2 TYR A 49 42.675 8.764 3.558 1.00 0.00 H new ATOM 0 HE1 TYR A 49 41.634 12.896 6.018 1.00 0.00 H new ATOM 0 HE2 TYR A 49 40.336 9.416 3.925 1.00 0.00 H new ATOM 0 HH TYR A 49 38.941 10.894 4.789 1.00 0.00 H new ATOM 745 N SER A 50 47.784 10.620 2.159 1.00 0.00 N ATOM 746 CA SER A 50 49.230 10.422 2.082 1.00 0.00 C ATOM 747 C SER A 50 49.973 11.751 2.162 1.00 0.00 C ATOM 748 O SER A 50 51.131 11.846 1.756 1.00 0.00 O ATOM 749 CB SER A 50 49.604 9.706 0.781 1.00 0.00 C ATOM 750 OG SER A 50 50.213 10.601 -0.134 1.00 0.00 O ATOM 0 H SER A 50 47.325 10.727 1.254 1.00 0.00 H new ATOM 0 HA SER A 50 49.524 9.806 2.932 1.00 0.00 H new ATOM 0 HB2 SER A 50 50.285 8.883 0.998 1.00 0.00 H new ATOM 0 HB3 SER A 50 48.711 9.272 0.331 1.00 0.00 H new ATOM 0 HG SER A 50 51.076 10.898 0.224 1.00 0.00 H new ATOM 756 N LYS A 51 49.287 12.768 2.677 1.00 0.00 N ATOM 757 CA LYS A 51 49.854 14.111 2.812 1.00 0.00 C ATOM 758 C LYS A 51 49.463 14.991 1.630 1.00 0.00 C ATOM 759 O LYS A 51 49.857 16.154 1.542 1.00 0.00 O ATOM 760 CB LYS A 51 51.377 14.049 2.952 1.00 0.00 C ATOM 761 CG LYS A 51 51.995 15.320 3.511 1.00 0.00 C ATOM 762 CD LYS A 51 53.283 15.022 4.260 1.00 0.00 C ATOM 763 CE LYS A 51 53.840 16.269 4.927 1.00 0.00 C ATOM 764 NZ LYS A 51 55.151 16.669 4.347 1.00 0.00 N ATOM 0 H LYS A 51 48.327 12.687 3.012 1.00 0.00 H new ATOM 0 HA LYS A 51 49.444 14.556 3.719 1.00 0.00 H new ATOM 0 HB2 LYS A 51 51.639 13.213 3.601 1.00 0.00 H new ATOM 0 HB3 LYS A 51 51.814 13.843 1.975 1.00 0.00 H new ATOM 0 HG2 LYS A 51 52.197 16.017 2.698 1.00 0.00 H new ATOM 0 HG3 LYS A 51 51.287 15.808 4.180 1.00 0.00 H new ATOM 0 HD2 LYS A 51 53.098 14.257 5.014 1.00 0.00 H new ATOM 0 HD3 LYS A 51 54.022 14.617 3.569 1.00 0.00 H new ATOM 0 HE2 LYS A 51 53.129 17.088 4.817 1.00 0.00 H new ATOM 0 HE3 LYS A 51 53.956 16.088 5.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 55.497 17.523 4.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 55.837 15.898 4.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 55.036 16.866 3.332 1.00 0.00 H new ATOM 778 N HIS A 52 48.684 14.420 0.725 1.00 0.00 N ATOM 779 CA HIS A 52 48.226 15.137 -0.461 1.00 0.00 C ATOM 780 C HIS A 52 49.285 15.103 -1.558 1.00 0.00 C ATOM 781 O HIS A 52 48.962 14.647 -2.676 1.00 0.00 O ATOM 782 CB HIS A 52 47.891 16.588 -0.105 1.00 0.00 C ATOM 783 CG HIS A 52 46.862 17.201 -1.002 1.00 0.00 C ATOM 784 ND1 HIS A 52 47.134 18.200 -1.908 1.00 0.00 N ATOM 785 CD2 HIS A 52 45.536 16.938 -1.118 1.00 0.00 C ATOM 786 CE1 HIS A 52 45.991 18.508 -2.535 1.00 0.00 C ATOM 787 NE2 HIS A 52 44.991 17.770 -2.092 1.00 0.00 N ATOM 788 OXT HIS A 52 50.428 15.531 -1.292 1.00 0.00 O ATOM 0 H HIS A 52 48.353 13.457 0.787 1.00 0.00 H new ATOM 0 HA HIS A 52 47.328 14.643 -0.832 1.00 0.00 H new ATOM 0 HB2 HIS A 52 47.534 16.628 0.924 1.00 0.00 H new ATOM 0 HB3 HIS A 52 48.802 17.184 -0.150 1.00 0.00 H new ATOM 0 HD2 HIS A 52 44.991 16.201 -0.546 1.00 0.00 H new ATOM 0 HE1 HIS A 52 45.900 19.262 -3.303 1.00 0.00 H new ATOM 0 HE2 HIS A 52 44.019 17.802 -2.400 1.00 0.00 H new TER 796 HIS A 52