USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 519 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 35 TYR OH : rot -115:sc= -0.602 USER MOD Set 1.2: A 39 ASN :FLIP amide:sc= 0.284 F(o=-0.99,f=-0.32) USER MOD Set 2.1: A 34 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 38 HIS : no HE2:sc= 1.08 K(o=1.1,f=-4.4!) USER MOD Single : A 5 THR OG1 : rot -60:sc= -0.34 USER MOD Single : A 6 CYS SG : rot 180:sc= 0.035 USER MOD Single : A 9 ASN : amide:sc= 1.03 K(o=1,f=-0.52) USER MOD Single : A -2 GLN : amide:sc= -1.6 K(o=-1.6,f=-4.7!) USER MOD Single : A -9 SER OG : rot 42:sc= 0.0439 USER MOD Single : A 11 GLN : amide:sc= -2.11! C(o=-2.1!,f=-3.1!) USER MOD Single : A 12 THR OG1 : rot 28:sc= -0.557 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -70:sc= -1.11 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.331! C(o=0.33!,f=-14!) USER MOD Single : A 23 ASN : amide:sc= -0.0797 K(o=-0.08,f=-0.77) USER MOD Single : A 29 ASN : amide:sc= -8.74! C(o=-8.7!,f=-11!) USER MOD Single : A 36 LYS NZ :NH3+ -139:sc= 1.27 (180deg=0.0436) USER MOD Single : A 41 ASN : amide:sc= -0.106 K(o=-0.11,f=-0.65) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -163:sc= -0.118 (180deg=-0.61) USER MOD Single : A 47 LYS NZ :NH3+ -170:sc= -0.0306 (180deg=-0.22) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -10 SER OG : rot 96:sc= 0.523 USER MOD Single : A -11 HIS : no HD1:sc= -0.338 X(o=-0.34,f=-0.0054) USER MOD Single : A -12 HIS : no HD1:sc= -0.189 X(o=-0.19,f=-0.5) USER MOD Single : A -13 HIS : no HD1:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A -14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -15 HIS : no HD1:sc= -0.657 X(o=-0.66,f=-0.32) USER MOD Single : A -16 HIS : no HD1:sc=-0.000554 X(o=-0.00055,f=0) USER MOD Single : A -18 MET CE :methyl -168:sc=-0.000126 (180deg=-0.171) USER MOD Single : A -18 MET N :NH3+ -164:sc= -0.0842 (180deg=-0.423) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -18 20.814 3.780 19.188 1.00 16.77 N ATOM 2 CA MET A -18 21.962 2.890 18.899 1.00 16.30 C ATOM 3 C MET A -18 22.544 3.213 17.526 1.00 15.80 C ATOM 4 O MET A -18 23.590 3.854 17.424 1.00 15.75 O ATOM 5 CB MET A -18 21.536 1.417 18.960 1.00 16.41 C ATOM 6 CG MET A -18 20.881 1.021 20.275 1.00 16.85 C ATOM 7 SD MET A -18 22.005 1.120 21.682 1.00 17.18 S ATOM 8 CE MET A -18 23.067 -0.289 21.371 1.00 17.45 C ATOM 0 H1 MET A -18 20.597 3.748 20.205 1.00 16.77 H new ATOM 0 H2 MET A -18 21.053 4.755 18.915 1.00 16.77 H new ATOM 0 H3 MET A -18 19.984 3.463 18.647 1.00 16.77 H new ATOM 0 HA MET A -18 22.727 3.058 19.657 1.00 16.30 H new ATOM 0 HB2 MET A -18 20.842 1.215 18.144 1.00 16.41 H new ATOM 0 HB3 MET A -18 22.411 0.788 18.797 1.00 16.41 H new ATOM 0 HG2 MET A -18 20.023 1.669 20.456 1.00 16.85 H new ATOM 0 HG3 MET A -18 20.500 0.003 20.192 1.00 16.85 H new ATOM 0 HE1 MET A -18 23.673 -0.490 22.254 1.00 17.45 H new ATOM 0 HE2 MET A -18 22.456 -1.163 21.145 1.00 17.45 H new ATOM 0 HE3 MET A -18 23.719 -0.073 20.525 1.00 17.45 H new ATOM 20 N ALA A -17 21.852 2.786 16.472 1.00 15.58 N ATOM 21 CA ALA A -17 22.281 3.063 15.105 1.00 15.28 C ATOM 22 C ALA A -17 21.096 2.976 14.149 1.00 14.65 C ATOM 23 O ALA A -17 21.170 2.340 13.094 1.00 14.54 O ATOM 24 CB ALA A -17 23.376 2.093 14.683 1.00 15.75 C ATOM 0 H ALA A -17 20.990 2.245 16.540 1.00 15.58 H new ATOM 0 HA ALA A -17 22.684 4.075 15.068 1.00 15.28 H new ATOM 0 HB1 ALA A -17 23.684 2.314 13.661 1.00 15.75 H new ATOM 0 HB2 ALA A -17 24.231 2.197 15.350 1.00 15.75 H new ATOM 0 HB3 ALA A -17 22.998 1.072 14.735 1.00 15.75 H new ATOM 30 N HIS A -16 19.999 3.609 14.531 1.00 14.40 N ATOM 31 CA HIS A -16 18.772 3.564 13.747 1.00 13.97 C ATOM 32 C HIS A -16 18.928 4.382 12.468 1.00 13.40 C ATOM 33 O HIS A -16 19.428 5.505 12.494 1.00 13.34 O ATOM 34 CB HIS A -16 17.597 4.083 14.581 1.00 14.30 C ATOM 35 CG HIS A -16 16.250 3.891 13.943 1.00 14.69 C ATOM 36 ND1 HIS A -16 15.406 2.849 14.267 1.00 15.06 N ATOM 37 CD2 HIS A -16 15.598 4.619 13.005 1.00 14.94 C ATOM 38 CE1 HIS A -16 14.296 2.947 13.558 1.00 15.50 C ATOM 39 NE2 HIS A -16 14.390 4.011 12.787 1.00 15.44 N ATOM 0 H HIS A -16 19.932 4.164 15.384 1.00 14.40 H new ATOM 0 HA HIS A -16 18.570 2.530 13.468 1.00 13.97 H new ATOM 0 HB2 HIS A -16 17.603 3.579 15.548 1.00 14.30 H new ATOM 0 HB3 HIS A -16 17.746 5.145 14.774 1.00 14.30 H new ATOM 0 HD2 HIS A -16 15.963 5.512 12.520 1.00 14.94 H new ATOM 0 HE1 HIS A -16 13.455 2.271 13.603 1.00 15.50 H new ATOM 0 HE2 HIS A -16 13.677 4.331 12.132 1.00 15.44 H new ATOM 48 N HIS A -15 18.501 3.806 11.354 1.00 13.18 N ATOM 49 CA HIS A -15 18.613 4.456 10.053 1.00 12.80 C ATOM 50 C HIS A -15 17.548 3.916 9.106 1.00 12.10 C ATOM 51 O HIS A -15 17.052 2.806 9.297 1.00 12.11 O ATOM 52 CB HIS A -15 20.019 4.253 9.462 1.00 13.32 C ATOM 53 CG HIS A -15 20.472 2.822 9.396 1.00 13.69 C ATOM 54 ND1 HIS A -15 21.495 2.321 10.171 1.00 14.05 N ATOM 55 CD2 HIS A -15 20.041 1.788 8.636 1.00 13.95 C ATOM 56 CE1 HIS A -15 21.673 1.043 9.891 1.00 14.50 C ATOM 57 NE2 HIS A -15 20.804 0.694 8.962 1.00 14.45 N ATOM 0 H HIS A -15 18.070 2.882 11.324 1.00 13.18 H new ATOM 0 HA HIS A -15 18.454 5.526 10.183 1.00 12.80 H new ATOM 0 HB2 HIS A -15 20.040 4.673 8.456 1.00 13.32 H new ATOM 0 HB3 HIS A -15 20.734 4.819 10.059 1.00 13.32 H new ATOM 0 HD2 HIS A -15 19.244 1.818 7.908 1.00 13.95 H new ATOM 0 HE1 HIS A -15 22.406 0.393 10.346 1.00 14.50 H new ATOM 0 HE2 HIS A -15 20.714 -0.236 8.553 1.00 14.45 H new ATOM 66 N HIS A -14 17.206 4.694 8.087 1.00 11.67 N ATOM 67 CA HIS A -14 16.144 4.318 7.159 1.00 11.15 C ATOM 68 C HIS A -14 16.678 3.453 6.026 1.00 10.45 C ATOM 69 O HIS A -14 16.816 3.914 4.892 1.00 10.24 O ATOM 70 CB HIS A -14 15.464 5.556 6.569 1.00 11.34 C ATOM 71 CG HIS A -14 14.716 6.379 7.569 1.00 11.78 C ATOM 72 ND1 HIS A -14 15.033 7.686 7.855 1.00 12.06 N ATOM 73 CD2 HIS A -14 13.652 6.077 8.343 1.00 12.20 C ATOM 74 CE1 HIS A -14 14.200 8.150 8.762 1.00 12.61 C ATOM 75 NE2 HIS A -14 13.348 7.193 9.079 1.00 12.71 N ATOM 0 H HIS A -14 17.648 5.590 7.881 1.00 11.67 H new ATOM 0 HA HIS A -14 15.413 3.744 7.728 1.00 11.15 H new ATOM 0 HB2 HIS A -14 16.220 6.181 6.094 1.00 11.34 H new ATOM 0 HB3 HIS A -14 14.774 5.240 5.786 1.00 11.34 H new ATOM 0 HD2 HIS A -14 13.135 5.129 8.376 1.00 12.20 H new ATOM 0 HE1 HIS A -14 14.212 9.147 9.177 1.00 12.61 H new ATOM 0 HE2 HIS A -14 12.591 7.271 9.758 1.00 12.71 H new ATOM 84 N HIS A -13 16.978 2.202 6.331 1.00 10.29 N ATOM 85 CA HIS A -13 17.414 1.268 5.308 1.00 9.83 C ATOM 86 C HIS A -13 16.208 0.533 4.746 1.00 9.17 C ATOM 87 O HIS A -13 15.683 -0.390 5.372 1.00 9.24 O ATOM 88 CB HIS A -13 18.435 0.268 5.867 1.00 10.33 C ATOM 89 CG HIS A -13 18.911 -0.739 4.860 1.00 10.72 C ATOM 90 ND1 HIS A -13 18.449 -2.037 4.819 1.00 11.23 N ATOM 91 CD2 HIS A -13 19.811 -0.633 3.854 1.00 10.91 C ATOM 92 CE1 HIS A -13 19.041 -2.682 3.833 1.00 11.69 C ATOM 93 NE2 HIS A -13 19.870 -1.853 3.231 1.00 11.52 N ATOM 0 H HIS A -13 16.928 1.812 7.272 1.00 10.29 H new ATOM 0 HA HIS A -13 17.902 1.829 4.511 1.00 9.83 H new ATOM 0 HB2 HIS A -13 19.294 0.817 6.252 1.00 10.33 H new ATOM 0 HB3 HIS A -13 17.989 -0.259 6.711 1.00 10.33 H new ATOM 0 HD2 HIS A -13 20.377 0.248 3.591 1.00 10.91 H new ATOM 0 HE1 HIS A -13 18.875 -3.715 3.564 1.00 11.69 H new ATOM 0 HE2 HIS A -13 20.460 -2.082 2.431 1.00 11.52 H new ATOM 102 N HIS A -12 15.765 0.949 3.571 1.00 8.78 N ATOM 103 CA HIS A -12 14.614 0.328 2.936 1.00 8.39 C ATOM 104 C HIS A -12 14.988 -1.026 2.346 1.00 7.80 C ATOM 105 O HIS A -12 15.303 -1.147 1.163 1.00 7.91 O ATOM 106 CB HIS A -12 13.977 1.243 1.873 1.00 8.72 C ATOM 107 CG HIS A -12 14.938 1.901 0.920 1.00 8.98 C ATOM 108 ND1 HIS A -12 15.509 3.134 1.160 1.00 9.31 N ATOM 109 CD2 HIS A -12 15.397 1.510 -0.294 1.00 9.28 C ATOM 110 CE1 HIS A -12 16.273 3.470 0.137 1.00 9.77 C ATOM 111 NE2 HIS A -12 16.224 2.503 -0.758 1.00 9.76 N ATOM 0 H HIS A -12 16.183 1.712 3.039 1.00 8.78 H new ATOM 0 HA HIS A -12 13.862 0.168 3.709 1.00 8.39 H new ATOM 0 HB2 HIS A -12 13.264 0.656 1.294 1.00 8.72 H new ATOM 0 HB3 HIS A -12 13.409 2.021 2.383 1.00 8.72 H new ATOM 0 HD2 HIS A -12 15.157 0.588 -0.802 1.00 9.28 H new ATOM 0 HE1 HIS A -12 16.842 4.383 0.048 1.00 9.77 H new ATOM 0 HE2 HIS A -12 16.720 2.494 -1.649 1.00 9.76 H new ATOM 120 N HIS A -11 14.967 -2.042 3.196 1.00 7.48 N ATOM 121 CA HIS A -11 15.248 -3.407 2.772 1.00 7.19 C ATOM 122 C HIS A -11 14.105 -3.939 1.913 1.00 6.46 C ATOM 123 O HIS A -11 14.282 -4.876 1.140 1.00 6.49 O ATOM 124 CB HIS A -11 15.490 -4.324 3.985 1.00 7.84 C ATOM 125 CG HIS A -11 14.324 -4.437 4.924 1.00 8.37 C ATOM 126 ND1 HIS A -11 13.500 -5.538 4.973 1.00 8.98 N ATOM 127 CD2 HIS A -11 13.851 -3.577 5.855 1.00 8.69 C ATOM 128 CE1 HIS A -11 12.571 -5.348 5.891 1.00 9.59 C ATOM 129 NE2 HIS A -11 12.760 -4.164 6.442 1.00 9.44 N ATOM 0 H HIS A -11 14.757 -1.946 4.190 1.00 7.48 H new ATOM 0 HA HIS A -11 16.159 -3.399 2.173 1.00 7.19 H new ATOM 0 HB2 HIS A -11 15.748 -5.320 3.625 1.00 7.84 H new ATOM 0 HB3 HIS A -11 16.352 -3.952 4.539 1.00 7.84 H new ATOM 0 HD2 HIS A -11 14.258 -2.605 6.092 1.00 8.69 H new ATOM 0 HE1 HIS A -11 11.787 -6.045 6.148 1.00 9.59 H new ATOM 0 HE2 HIS A -11 12.189 -3.754 7.181 1.00 9.44 H new ATOM 138 N SER A -10 12.936 -3.330 2.049 1.00 6.16 N ATOM 139 CA SER A -10 11.789 -3.696 1.239 1.00 5.80 C ATOM 140 C SER A -10 11.703 -2.788 0.016 1.00 5.14 C ATOM 141 O SER A -10 10.884 -1.868 -0.034 1.00 5.44 O ATOM 142 CB SER A -10 10.504 -3.607 2.068 1.00 6.45 C ATOM 143 OG SER A -10 10.365 -2.326 2.666 1.00 7.05 O ATOM 0 H SER A -10 12.759 -2.578 2.715 1.00 6.16 H new ATOM 0 HA SER A -10 11.908 -4.725 0.901 1.00 5.80 H new ATOM 0 HB2 SER A -10 9.643 -3.809 1.431 1.00 6.45 H new ATOM 0 HB3 SER A -10 10.514 -4.374 2.843 1.00 6.45 H new ATOM 0 HG SER A -10 9.798 -1.761 2.101 1.00 7.05 H new ATOM 149 N SER A -9 12.567 -3.039 -0.957 1.00 4.65 N ATOM 150 CA SER A -9 12.602 -2.243 -2.171 1.00 4.40 C ATOM 151 C SER A -9 11.266 -2.318 -2.904 1.00 3.47 C ATOM 152 O SER A -9 10.836 -3.393 -3.329 1.00 3.79 O ATOM 153 CB SER A -9 13.744 -2.716 -3.070 1.00 5.30 C ATOM 154 OG SER A -9 13.773 -4.133 -3.164 1.00 6.01 O ATOM 0 H SER A -9 13.255 -3.791 -0.927 1.00 4.65 H new ATOM 0 HA SER A -9 12.777 -1.201 -1.904 1.00 4.40 H new ATOM 0 HB2 SER A -9 13.629 -2.286 -4.065 1.00 5.30 H new ATOM 0 HB3 SER A -9 14.694 -2.356 -2.675 1.00 5.30 H new ATOM 0 HG SER A -9 12.858 -4.474 -3.252 1.00 6.01 H new ATOM 160 N GLY A -8 10.604 -1.174 -3.022 1.00 2.88 N ATOM 161 CA GLY A -8 9.306 -1.131 -3.660 1.00 2.53 C ATOM 162 C GLY A -8 8.204 -0.819 -2.671 1.00 2.03 C ATOM 163 O GLY A -8 7.126 -0.361 -3.053 1.00 2.46 O ATOM 0 H GLY A -8 10.946 -0.274 -2.686 1.00 2.88 H new ATOM 0 HA2 GLY A -8 9.313 -0.377 -4.447 1.00 2.53 H new ATOM 0 HA3 GLY A -8 9.104 -2.089 -4.139 1.00 2.53 H new ATOM 167 N LEU A -7 8.477 -1.070 -1.398 1.00 1.44 N ATOM 168 CA LEU A -7 7.525 -0.788 -0.332 1.00 1.02 C ATOM 169 C LEU A -7 8.138 0.248 0.609 1.00 1.01 C ATOM 170 O LEU A -7 8.785 -0.104 1.600 1.00 1.40 O ATOM 171 CB LEU A -7 7.153 -2.066 0.457 1.00 0.97 C ATOM 172 CG LEU A -7 6.639 -3.259 -0.362 1.00 1.54 C ATOM 173 CD1 LEU A -7 5.565 -2.828 -1.348 1.00 2.25 C ATOM 174 CD2 LEU A -7 7.776 -3.979 -1.074 1.00 2.06 C ATOM 0 H LEU A -7 9.358 -1.472 -1.076 1.00 1.44 H new ATOM 0 HA LEU A -7 6.607 -0.403 -0.776 1.00 1.02 H new ATOM 0 HB2 LEU A -7 8.032 -2.390 1.014 1.00 0.97 H new ATOM 0 HB3 LEU A -7 6.390 -1.803 1.190 1.00 0.97 H new ATOM 0 HG LEU A -7 6.189 -3.964 0.337 1.00 1.54 H new ATOM 0 HD11 LEU A -7 5.221 -3.694 -1.913 1.00 2.25 H new ATOM 0 HD12 LEU A -7 4.726 -2.393 -0.805 1.00 2.25 H new ATOM 0 HD13 LEU A -7 5.977 -2.088 -2.034 1.00 2.25 H new ATOM 0 HD21 LEU A -7 7.375 -4.818 -1.644 1.00 2.06 H new ATOM 0 HD22 LEU A -7 8.278 -3.287 -1.751 1.00 2.06 H new ATOM 0 HD23 LEU A -7 8.490 -4.349 -0.338 1.00 2.06 H new ATOM 186 N GLU A -6 7.938 1.526 0.290 1.00 1.01 N ATOM 187 CA GLU A -6 8.651 2.601 0.971 1.00 1.15 C ATOM 188 C GLU A -6 7.767 3.829 1.230 1.00 1.03 C ATOM 189 O GLU A -6 7.902 4.859 0.567 1.00 1.77 O ATOM 190 CB GLU A -6 9.863 3.002 0.132 1.00 1.65 C ATOM 191 CG GLU A -6 10.877 1.883 -0.038 1.00 2.27 C ATOM 192 CD GLU A -6 11.794 2.104 -1.214 1.00 2.92 C ATOM 193 OE1 GLU A -6 12.635 3.023 -1.153 1.00 3.35 O ATOM 194 OE2 GLU A -6 11.673 1.360 -2.211 1.00 3.44 O ATOM 0 H GLU A -6 7.290 1.840 -0.433 1.00 1.01 H new ATOM 0 HA GLU A -6 8.963 2.227 1.946 1.00 1.15 H new ATOM 0 HB2 GLU A -6 9.523 3.327 -0.851 1.00 1.65 H new ATOM 0 HB3 GLU A -6 10.352 3.857 0.599 1.00 1.65 H new ATOM 0 HG2 GLU A -6 11.472 1.796 0.871 1.00 2.27 H new ATOM 0 HG3 GLU A -6 10.351 0.937 -0.165 1.00 2.27 H new ATOM 201 N VAL A -5 6.865 3.708 2.196 1.00 0.68 N ATOM 202 CA VAL A -5 6.098 4.848 2.698 1.00 0.59 C ATOM 203 C VAL A -5 6.198 4.885 4.218 1.00 0.89 C ATOM 204 O VAL A -5 5.793 3.946 4.896 1.00 1.67 O ATOM 205 CB VAL A -5 4.607 4.800 2.262 1.00 0.46 C ATOM 206 CG1 VAL A -5 4.040 3.409 2.408 1.00 0.71 C ATOM 207 CG2 VAL A -5 3.762 5.772 3.055 1.00 0.85 C ATOM 0 H VAL A -5 6.643 2.824 2.653 1.00 0.68 H new ATOM 0 HA VAL A -5 6.524 5.754 2.267 1.00 0.59 H new ATOM 0 HB VAL A -5 4.578 5.089 1.211 1.00 0.46 H new ATOM 0 HG11 VAL A -5 2.996 3.407 2.095 1.00 0.71 H new ATOM 0 HG12 VAL A -5 4.607 2.718 1.784 1.00 0.71 H new ATOM 0 HG13 VAL A -5 4.107 3.096 3.450 1.00 0.71 H new ATOM 0 HG21 VAL A -5 2.726 5.710 2.722 1.00 0.85 H new ATOM 0 HG22 VAL A -5 3.818 5.522 4.115 1.00 0.85 H new ATOM 0 HG23 VAL A -5 4.132 6.786 2.901 1.00 0.85 H new ATOM 217 N LEU A -4 6.756 5.955 4.753 1.00 0.83 N ATOM 218 CA LEU A -4 7.002 6.031 6.186 1.00 1.12 C ATOM 219 C LEU A -4 6.171 7.134 6.829 1.00 1.15 C ATOM 220 O LEU A -4 6.640 7.848 7.716 1.00 1.67 O ATOM 221 CB LEU A -4 8.493 6.252 6.451 1.00 1.58 C ATOM 222 CG LEU A -4 9.420 5.160 5.907 1.00 2.31 C ATOM 223 CD1 LEU A -4 10.875 5.537 6.127 1.00 3.12 C ATOM 224 CD2 LEU A -4 9.117 3.819 6.560 1.00 2.85 C ATOM 0 H LEU A -4 7.046 6.778 4.225 1.00 0.83 H new ATOM 0 HA LEU A -4 6.701 5.085 6.637 1.00 1.12 H new ATOM 0 HB2 LEU A -4 8.786 7.206 6.014 1.00 1.58 H new ATOM 0 HB3 LEU A -4 8.646 6.334 7.527 1.00 1.58 H new ATOM 0 HG LEU A -4 9.243 5.068 4.835 1.00 2.31 H new ATOM 0 HD11 LEU A -4 11.518 4.750 5.734 1.00 3.12 H new ATOM 0 HD12 LEU A -4 11.090 6.473 5.611 1.00 3.12 H new ATOM 0 HD13 LEU A -4 11.062 5.660 7.194 1.00 3.12 H new ATOM 0 HD21 LEU A -4 9.787 3.059 6.158 1.00 2.85 H new ATOM 0 HD22 LEU A -4 9.262 3.898 7.637 1.00 2.85 H new ATOM 0 HD23 LEU A -4 8.084 3.538 6.353 1.00 2.85 H new ATOM 236 N PHE A -3 4.936 7.275 6.369 1.00 1.03 N ATOM 237 CA PHE A -3 4.013 8.234 6.960 1.00 1.19 C ATOM 238 C PHE A -3 2.916 7.481 7.699 1.00 1.23 C ATOM 239 O PHE A -3 2.801 6.267 7.561 1.00 2.17 O ATOM 240 CB PHE A -3 3.359 9.128 5.892 1.00 1.32 C ATOM 241 CG PHE A -3 4.220 9.430 4.696 1.00 1.09 C ATOM 242 CD1 PHE A -3 5.440 10.075 4.828 1.00 1.05 C ATOM 243 CD2 PHE A -3 3.792 9.069 3.429 1.00 1.27 C ATOM 244 CE1 PHE A -3 6.216 10.348 3.717 1.00 1.10 C ATOM 245 CE2 PHE A -3 4.562 9.339 2.317 1.00 1.30 C ATOM 246 CZ PHE A -3 5.775 9.977 2.459 1.00 1.15 C ATOM 0 H PHE A -3 4.551 6.740 5.591 1.00 1.03 H new ATOM 0 HA PHE A -3 4.581 8.868 7.641 1.00 1.19 H new ATOM 0 HB2 PHE A -3 2.444 8.646 5.548 1.00 1.32 H new ATOM 0 HB3 PHE A -3 3.068 10.070 6.358 1.00 1.32 H new ATOM 0 HD1 PHE A -3 5.787 10.367 5.808 1.00 1.05 H new ATOM 0 HD2 PHE A -3 2.842 8.569 3.310 1.00 1.27 H new ATOM 0 HE1 PHE A -3 7.165 10.850 3.831 1.00 1.10 H new ATOM 0 HE2 PHE A -3 4.215 9.051 1.336 1.00 1.30 H new ATOM 0 HZ PHE A -3 6.381 10.187 1.590 1.00 1.15 H new ATOM 256 N GLN A -2 2.121 8.204 8.471 1.00 0.89 N ATOM 257 CA GLN A -2 0.915 7.664 9.101 1.00 0.86 C ATOM 258 C GLN A -2 1.220 6.620 10.192 1.00 1.00 C ATOM 259 O GLN A -2 1.238 6.953 11.378 1.00 1.69 O ATOM 260 CB GLN A -2 -0.038 7.087 8.038 1.00 1.18 C ATOM 261 CG GLN A -2 -1.412 6.727 8.586 1.00 1.89 C ATOM 262 CD GLN A -2 -1.529 5.269 8.990 1.00 2.22 C ATOM 263 OE1 GLN A -2 -0.937 4.392 8.363 1.00 2.74 O ATOM 264 NE2 GLN A -2 -2.273 5.005 10.050 1.00 2.71 N ATOM 0 H GLN A -2 2.290 9.187 8.683 1.00 0.89 H new ATOM 0 HA GLN A -2 0.424 8.497 9.604 1.00 0.86 H new ATOM 0 HB2 GLN A -2 -0.155 7.813 7.234 1.00 1.18 H new ATOM 0 HB3 GLN A -2 0.415 6.197 7.600 1.00 1.18 H new ATOM 0 HG2 GLN A -2 -1.628 7.356 9.450 1.00 1.89 H new ATOM 0 HG3 GLN A -2 -2.167 6.951 7.832 1.00 1.89 H new ATOM 0 HE21 GLN A -2 -2.747 5.762 10.542 1.00 2.71 H new ATOM 0 HE22 GLN A -2 -2.373 4.044 10.376 1.00 2.71 H new ATOM 273 N GLY A -1 1.460 5.372 9.798 1.00 0.85 N ATOM 274 CA GLY A -1 1.584 4.298 10.770 1.00 1.20 C ATOM 275 C GLY A -1 2.429 3.141 10.267 1.00 0.93 C ATOM 276 O GLY A -1 3.062 3.250 9.219 1.00 1.43 O ATOM 0 H GLY A -1 1.571 5.085 8.825 1.00 0.85 H new ATOM 0 HA2 GLY A -1 2.025 4.692 11.685 1.00 1.20 H new ATOM 0 HA3 GLY A -1 0.590 3.931 11.027 1.00 1.20 H new ATOM 280 N PRO A 0 2.457 2.016 11.003 1.00 0.95 N ATOM 281 CA PRO A 0 3.305 0.875 10.686 1.00 1.19 C ATOM 282 C PRO A 0 2.624 -0.210 9.833 1.00 1.08 C ATOM 283 O PRO A 0 2.556 -0.093 8.608 1.00 1.62 O ATOM 284 CB PRO A 0 3.661 0.336 12.074 1.00 1.86 C ATOM 285 CG PRO A 0 2.556 0.793 12.991 1.00 2.08 C ATOM 286 CD PRO A 0 1.688 1.767 12.222 1.00 1.60 C ATOM 0 HA PRO A 0 4.157 1.169 10.073 1.00 1.19 H new ATOM 0 HB2 PRO A 0 3.735 -0.751 12.063 1.00 1.86 H new ATOM 0 HB3 PRO A 0 4.627 0.718 12.405 1.00 1.86 H new ATOM 0 HG2 PRO A 0 1.966 -0.058 13.331 1.00 2.08 H new ATOM 0 HG3 PRO A 0 2.970 1.270 13.880 1.00 2.08 H new ATOM 0 HD2 PRO A 0 0.708 1.344 12.000 1.00 1.60 H new ATOM 0 HD3 PRO A 0 1.518 2.685 12.785 1.00 1.60 H new ATOM 294 N ARG A 1 2.110 -1.261 10.481 1.00 1.01 N ATOM 295 CA ARG A 1 1.605 -2.430 9.765 1.00 1.19 C ATOM 296 C ARG A 1 0.553 -3.190 10.579 1.00 0.86 C ATOM 297 O ARG A 1 0.121 -2.726 11.632 1.00 1.02 O ATOM 298 CB ARG A 1 2.770 -3.359 9.395 1.00 1.95 C ATOM 299 CG ARG A 1 3.810 -3.560 10.497 1.00 2.38 C ATOM 300 CD ARG A 1 3.267 -4.350 11.678 1.00 3.12 C ATOM 301 NE ARG A 1 4.273 -4.525 12.722 1.00 3.69 N ATOM 302 CZ ARG A 1 3.994 -4.756 14.004 1.00 4.54 C ATOM 303 NH1 ARG A 1 2.732 -4.860 14.412 1.00 4.90 N ATOM 304 NH2 ARG A 1 4.980 -4.887 14.881 1.00 5.35 N ATOM 0 H ARG A 1 2.034 -1.323 11.496 1.00 1.01 H new ATOM 0 HA ARG A 1 1.118 -2.079 8.855 1.00 1.19 H new ATOM 0 HB2 ARG A 1 2.365 -4.332 9.116 1.00 1.95 H new ATOM 0 HB3 ARG A 1 3.270 -2.957 8.513 1.00 1.95 H new ATOM 0 HG2 ARG A 1 4.675 -4.079 10.084 1.00 2.38 H new ATOM 0 HG3 ARG A 1 4.158 -2.587 10.845 1.00 2.38 H new ATOM 0 HD2 ARG A 1 2.400 -3.835 12.092 1.00 3.12 H new ATOM 0 HD3 ARG A 1 2.925 -5.327 11.336 1.00 3.12 H new ATOM 0 HE ARG A 1 5.255 -4.466 12.452 1.00 3.69 H new ATOM 0 HH11 ARG A 1 1.970 -4.763 13.741 1.00 4.90 H new ATOM 0 HH12 ARG A 1 2.527 -5.037 15.395 1.00 4.90 H new ATOM 0 HH21 ARG A 1 5.950 -4.811 14.573 1.00 5.35 H new ATOM 0 HH22 ARG A 1 4.769 -5.064 15.863 1.00 5.35 H new ATOM 318 N ARG A 2 0.158 -4.368 10.084 1.00 0.78 N ATOM 319 CA ARG A 2 -0.884 -5.169 10.731 1.00 0.56 C ATOM 320 C ARG A 2 -0.672 -6.670 10.454 1.00 0.65 C ATOM 321 O ARG A 2 -1.530 -7.495 10.763 1.00 1.49 O ATOM 322 CB ARG A 2 -2.280 -4.715 10.256 1.00 0.50 C ATOM 323 CG ARG A 2 -3.424 -5.265 11.077 1.00 0.88 C ATOM 324 CD ARG A 2 -4.736 -4.591 10.713 1.00 1.32 C ATOM 325 NE ARG A 2 -5.888 -5.248 11.331 1.00 1.72 N ATOM 326 CZ ARG A 2 -7.064 -4.656 11.530 1.00 2.37 C ATOM 327 NH1 ARG A 2 -7.239 -3.389 11.182 1.00 2.94 N ATOM 328 NH2 ARG A 2 -8.062 -5.332 12.081 1.00 2.90 N ATOM 0 H ARG A 2 0.544 -4.787 9.238 1.00 0.78 H new ATOM 0 HA ARG A 2 -0.819 -5.015 11.808 1.00 0.56 H new ATOM 0 HB2 ARG A 2 -2.322 -3.626 10.278 1.00 0.50 H new ATOM 0 HB3 ARG A 2 -2.414 -5.018 9.218 1.00 0.50 H new ATOM 0 HG2 ARG A 2 -3.507 -6.340 10.915 1.00 0.88 H new ATOM 0 HG3 ARG A 2 -3.218 -5.117 12.137 1.00 0.88 H new ATOM 0 HD2 ARG A 2 -4.705 -3.547 11.026 1.00 1.32 H new ATOM 0 HD3 ARG A 2 -4.856 -4.596 9.630 1.00 1.32 H new ATOM 0 HE ARG A 2 -5.784 -6.218 11.627 1.00 1.72 H new ATOM 0 HH11 ARG A 2 -6.472 -2.865 10.761 1.00 2.94 H new ATOM 0 HH12 ARG A 2 -8.141 -2.938 11.335 1.00 2.94 H new ATOM 0 HH21 ARG A 2 -7.929 -6.306 12.353 1.00 2.90 H new ATOM 0 HH22 ARG A 2 -8.963 -4.878 12.233 1.00 2.90 H new ATOM 342 N ALA A 3 0.482 -7.004 9.868 1.00 0.64 N ATOM 343 CA ALA A 3 0.897 -8.404 9.647 1.00 0.58 C ATOM 344 C ALA A 3 0.037 -9.151 8.614 1.00 0.60 C ATOM 345 O ALA A 3 0.239 -9.004 7.406 1.00 1.09 O ATOM 346 CB ALA A 3 0.936 -9.167 10.967 1.00 0.69 C ATOM 0 H ALA A 3 1.157 -6.318 9.532 1.00 0.64 H new ATOM 0 HA ALA A 3 1.900 -8.357 9.224 1.00 0.58 H new ATOM 0 HB1 ALA A 3 1.244 -10.196 10.783 1.00 0.69 H new ATOM 0 HB2 ALA A 3 1.647 -8.690 11.642 1.00 0.69 H new ATOM 0 HB3 ALA A 3 -0.055 -9.160 11.421 1.00 0.69 H new ATOM 352 N GLY A 4 -0.917 -9.947 9.087 1.00 0.44 N ATOM 353 CA GLY A 4 -1.679 -10.823 8.207 1.00 0.52 C ATOM 354 C GLY A 4 -3.082 -10.301 7.929 1.00 0.39 C ATOM 355 O GLY A 4 -4.060 -10.881 8.398 1.00 0.54 O ATOM 0 H GLY A 4 -1.179 -10.003 10.071 1.00 0.44 H new ATOM 0 HA2 GLY A 4 -1.145 -10.937 7.264 1.00 0.52 H new ATOM 0 HA3 GLY A 4 -1.747 -11.813 8.657 1.00 0.52 H new ATOM 359 N THR A 5 -3.199 -9.205 7.185 1.00 0.26 N ATOM 360 CA THR A 5 -4.497 -8.602 6.932 1.00 0.18 C ATOM 361 C THR A 5 -4.801 -8.563 5.434 1.00 0.14 C ATOM 362 O THR A 5 -4.079 -9.166 4.645 1.00 0.15 O ATOM 363 CB THR A 5 -4.506 -7.178 7.516 1.00 0.25 C ATOM 364 OG1 THR A 5 -3.691 -7.158 8.691 1.00 0.38 O ATOM 365 CG2 THR A 5 -5.916 -6.725 7.891 1.00 0.34 C ATOM 0 H THR A 5 -2.413 -8.721 6.750 1.00 0.26 H new ATOM 0 HA THR A 5 -5.270 -9.204 7.410 1.00 0.18 H new ATOM 0 HB THR A 5 -4.122 -6.498 6.755 1.00 0.25 H new ATOM 0 HG1 THR A 5 -4.051 -7.788 9.350 1.00 0.38 H new ATOM 0 HG21 THR A 5 -5.877 -5.715 8.299 1.00 0.34 H new ATOM 0 HG22 THR A 5 -6.549 -6.734 7.004 1.00 0.34 H new ATOM 0 HG23 THR A 5 -6.329 -7.403 8.638 1.00 0.34 H new ATOM 373 N CYS A 6 -5.893 -7.900 5.061 1.00 0.15 N ATOM 374 CA CYS A 6 -6.231 -7.661 3.662 1.00 0.14 C ATOM 375 C CYS A 6 -6.421 -6.176 3.397 1.00 0.13 C ATOM 376 O CYS A 6 -6.806 -5.420 4.291 1.00 0.15 O ATOM 377 CB CYS A 6 -7.496 -8.428 3.299 1.00 0.17 C ATOM 378 SG CYS A 6 -8.707 -8.522 4.638 1.00 0.86 S ATOM 0 H CYS A 6 -6.568 -7.514 5.721 1.00 0.15 H new ATOM 0 HA CYS A 6 -5.408 -8.013 3.041 1.00 0.14 H new ATOM 0 HB2 CYS A 6 -7.961 -7.954 2.435 1.00 0.17 H new ATOM 0 HB3 CYS A 6 -7.222 -9.439 2.999 1.00 0.17 H new ATOM 0 HG CYS A 6 -9.748 -9.189 4.236 1.00 0.86 H new ATOM 384 N CYS A 7 -6.146 -5.758 2.165 1.00 0.12 N ATOM 385 CA CYS A 7 -6.162 -4.340 1.839 1.00 0.11 C ATOM 386 C CYS A 7 -7.590 -3.842 1.592 1.00 0.10 C ATOM 387 O CYS A 7 -8.307 -4.405 0.767 1.00 0.10 O ATOM 388 CB CYS A 7 -5.246 -4.055 0.641 1.00 0.14 C ATOM 389 SG CYS A 7 -5.052 -2.309 0.266 1.00 0.21 S ATOM 0 H CYS A 7 -5.912 -6.374 1.386 1.00 0.12 H new ATOM 0 HA CYS A 7 -5.776 -3.787 2.695 1.00 0.11 H new ATOM 0 HB2 CYS A 7 -4.264 -4.485 0.838 1.00 0.14 H new ATOM 0 HB3 CYS A 7 -5.646 -4.562 -0.237 1.00 0.14 H new ATOM 394 N ALA A 8 -7.981 -2.783 2.329 1.00 0.13 N ATOM 395 CA ALA A 8 -9.300 -2.125 2.225 1.00 0.17 C ATOM 396 C ALA A 8 -9.573 -1.526 0.848 1.00 0.21 C ATOM 397 O ALA A 8 -10.379 -0.604 0.708 1.00 0.31 O ATOM 398 CB ALA A 8 -9.413 -1.017 3.264 1.00 0.18 C ATOM 0 H ALA A 8 -7.376 -2.352 3.028 1.00 0.13 H new ATOM 0 HA ALA A 8 -10.040 -2.906 2.398 1.00 0.17 H new ATOM 0 HB1 ALA A 8 -10.388 -0.538 3.180 1.00 0.18 H new ATOM 0 HB2 ALA A 8 -9.302 -1.441 4.262 1.00 0.18 H new ATOM 0 HB3 ALA A 8 -8.630 -0.278 3.095 1.00 0.18 H new ATOM 404 N ASN A 9 -8.914 -2.049 -0.156 1.00 0.18 N ATOM 405 CA ASN A 9 -9.028 -1.523 -1.498 1.00 0.23 C ATOM 406 C ASN A 9 -8.707 -2.587 -2.537 1.00 0.24 C ATOM 407 O ASN A 9 -9.493 -2.811 -3.452 1.00 0.32 O ATOM 408 CB ASN A 9 -8.101 -0.324 -1.685 1.00 0.26 C ATOM 409 CG ASN A 9 -8.200 0.258 -3.082 1.00 0.38 C ATOM 410 OD1 ASN A 9 -9.294 0.444 -3.613 1.00 0.53 O ATOM 411 ND2 ASN A 9 -7.059 0.497 -3.710 1.00 0.57 N ATOM 0 H ASN A 9 -8.286 -2.848 -0.069 1.00 0.18 H new ATOM 0 HA ASN A 9 -10.060 -1.203 -1.639 1.00 0.23 H new ATOM 0 HB2 ASN A 9 -8.350 0.445 -0.953 1.00 0.26 H new ATOM 0 HB3 ASN A 9 -7.072 -0.627 -1.491 1.00 0.26 H new ATOM 0 HD21 ASN A 9 -7.068 0.848 -4.668 1.00 0.57 H new ATOM 0 HD22 ASN A 9 -6.171 0.330 -3.236 1.00 0.57 H new ATOM 418 N CYS A 10 -7.565 -3.264 -2.396 1.00 0.21 N ATOM 419 CA CYS A 10 -7.122 -4.160 -3.460 1.00 0.28 C ATOM 420 C CYS A 10 -6.994 -5.614 -2.966 1.00 0.22 C ATOM 421 O CYS A 10 -6.500 -6.486 -3.683 1.00 0.31 O ATOM 422 CB CYS A 10 -5.805 -3.641 -4.055 1.00 0.52 C ATOM 423 SG CYS A 10 -4.357 -3.910 -3.013 1.00 0.76 S ATOM 0 H CYS A 10 -6.950 -3.212 -1.584 1.00 0.21 H new ATOM 0 HA CYS A 10 -7.878 -4.170 -4.245 1.00 0.28 H new ATOM 0 HB2 CYS A 10 -5.640 -4.126 -5.017 1.00 0.52 H new ATOM 0 HB3 CYS A 10 -5.904 -2.573 -4.249 1.00 0.52 H new ATOM 428 N GLN A 11 -7.472 -5.845 -1.736 1.00 0.18 N ATOM 429 CA GLN A 11 -7.509 -7.165 -1.067 1.00 0.21 C ATOM 430 C GLN A 11 -6.198 -7.970 -1.148 1.00 0.26 C ATOM 431 O GLN A 11 -6.197 -9.165 -0.850 1.00 0.34 O ATOM 432 CB GLN A 11 -8.660 -8.043 -1.593 1.00 0.24 C ATOM 433 CG GLN A 11 -9.105 -9.090 -0.585 1.00 0.74 C ATOM 434 CD GLN A 11 -10.093 -10.083 -1.157 1.00 1.26 C ATOM 435 OE1 GLN A 11 -10.883 -9.756 -2.040 1.00 1.77 O ATOM 436 NE2 GLN A 11 -10.042 -11.309 -0.669 1.00 1.90 N ATOM 0 H GLN A 11 -7.857 -5.099 -1.156 1.00 0.18 H new ATOM 0 HA GLN A 11 -7.669 -6.916 -0.018 1.00 0.21 H new ATOM 0 HB2 GLN A 11 -9.508 -7.408 -1.850 1.00 0.24 H new ATOM 0 HB3 GLN A 11 -8.343 -8.539 -2.511 1.00 0.24 H new ATOM 0 HG2 GLN A 11 -8.230 -9.627 -0.218 1.00 0.74 H new ATOM 0 HG3 GLN A 11 -9.556 -8.591 0.273 1.00 0.74 H new ATOM 0 HE21 GLN A 11 -9.371 -11.539 0.064 1.00 1.90 H new ATOM 0 HE22 GLN A 11 -10.674 -12.026 -1.025 1.00 1.90 H new ATOM 445 N THR A 12 -5.091 -7.361 -1.550 1.00 0.25 N ATOM 446 CA THR A 12 -3.817 -8.037 -1.451 1.00 0.26 C ATOM 447 C THR A 12 -3.532 -8.337 0.008 1.00 0.21 C ATOM 448 O THR A 12 -3.942 -7.592 0.905 1.00 0.19 O ATOM 449 CB THR A 12 -2.642 -7.225 -2.047 1.00 0.28 C ATOM 450 OG1 THR A 12 -1.498 -8.073 -2.200 1.00 0.33 O ATOM 451 CG2 THR A 12 -2.265 -6.051 -1.149 1.00 0.24 C ATOM 0 H THR A 12 -5.054 -6.419 -1.939 1.00 0.25 H new ATOM 0 HA THR A 12 -3.893 -8.953 -2.037 1.00 0.26 H new ATOM 0 HB THR A 12 -2.962 -6.838 -3.014 1.00 0.28 H new ATOM 0 HG1 THR A 12 -1.792 -8.999 -2.331 1.00 0.33 H new ATOM 0 HG21 THR A 12 -1.437 -5.502 -1.597 1.00 0.24 H new ATOM 0 HG22 THR A 12 -3.123 -5.388 -1.038 1.00 0.24 H new ATOM 0 HG23 THR A 12 -1.966 -6.424 -0.169 1.00 0.24 H new ATOM 459 N THR A 13 -2.876 -9.443 0.235 1.00 0.22 N ATOM 460 CA THR A 13 -2.501 -9.849 1.574 1.00 0.23 C ATOM 461 C THR A 13 -0.999 -10.040 1.657 1.00 0.26 C ATOM 462 O THR A 13 -0.442 -10.344 2.714 1.00 0.42 O ATOM 463 CB THR A 13 -3.236 -11.133 1.988 1.00 0.28 C ATOM 464 OG1 THR A 13 -3.146 -12.113 0.945 1.00 0.33 O ATOM 465 CG2 THR A 13 -4.695 -10.830 2.280 1.00 0.28 C ATOM 0 H THR A 13 -2.584 -10.091 -0.497 1.00 0.22 H new ATOM 0 HA THR A 13 -2.794 -9.061 2.268 1.00 0.23 H new ATOM 0 HB THR A 13 -2.766 -11.527 2.889 1.00 0.28 H new ATOM 0 HG1 THR A 13 -3.616 -12.928 1.220 1.00 0.33 H new ATOM 0 HG21 THR A 13 -5.206 -11.748 2.572 1.00 0.28 H new ATOM 0 HG22 THR A 13 -4.761 -10.104 3.090 1.00 0.28 H new ATOM 0 HG23 THR A 13 -5.167 -10.421 1.387 1.00 0.28 H new ATOM 473 N THR A 14 -0.348 -9.819 0.529 1.00 0.22 N ATOM 474 CA THR A 14 1.101 -9.886 0.457 1.00 0.26 C ATOM 475 C THR A 14 1.672 -8.488 0.684 1.00 0.23 C ATOM 476 O THR A 14 2.185 -7.824 -0.220 1.00 0.36 O ATOM 477 CB THR A 14 1.640 -10.525 -0.867 1.00 0.38 C ATOM 478 OG1 THR A 14 3.060 -10.695 -0.779 1.00 1.26 O ATOM 479 CG2 THR A 14 1.324 -9.706 -2.123 1.00 1.04 C ATOM 0 H THR A 14 -0.803 -9.590 -0.355 1.00 0.22 H new ATOM 0 HA THR A 14 1.441 -10.559 1.244 1.00 0.26 H new ATOM 0 HB THR A 14 1.128 -11.482 -0.968 1.00 0.38 H new ATOM 0 HG1 THR A 14 3.393 -11.096 -1.609 1.00 1.26 H new ATOM 0 HG21 THR A 14 1.729 -10.212 -2.999 1.00 1.04 H new ATOM 0 HG22 THR A 14 0.244 -9.605 -2.229 1.00 1.04 H new ATOM 0 HG23 THR A 14 1.774 -8.717 -2.035 1.00 1.04 H new ATOM 487 N THR A 15 1.557 -8.033 1.914 1.00 0.17 N ATOM 488 CA THR A 15 1.982 -6.685 2.257 1.00 0.17 C ATOM 489 C THR A 15 2.582 -6.638 3.662 1.00 0.20 C ATOM 490 O THR A 15 2.021 -7.187 4.607 1.00 0.26 O ATOM 491 CB THR A 15 0.841 -5.644 2.122 1.00 0.20 C ATOM 492 OG1 THR A 15 0.209 -5.785 0.846 1.00 0.40 O ATOM 493 CG2 THR A 15 1.413 -4.247 2.242 1.00 0.29 C ATOM 0 H THR A 15 1.175 -8.571 2.692 1.00 0.17 H new ATOM 0 HA THR A 15 2.752 -6.413 1.535 1.00 0.17 H new ATOM 0 HB THR A 15 0.109 -5.810 2.912 1.00 0.20 H new ATOM 0 HG1 THR A 15 0.821 -5.483 0.143 1.00 0.40 H new ATOM 0 HG21 THR A 15 0.610 -3.516 2.147 1.00 0.29 H new ATOM 0 HG22 THR A 15 1.894 -4.133 3.213 1.00 0.29 H new ATOM 0 HG23 THR A 15 2.147 -4.085 1.452 1.00 0.29 H new ATOM 501 N THR A 16 3.742 -6.003 3.776 1.00 0.25 N ATOM 502 CA THR A 16 4.455 -5.901 5.040 1.00 0.31 C ATOM 503 C THR A 16 4.218 -4.537 5.697 1.00 0.25 C ATOM 504 O THR A 16 4.657 -4.280 6.820 1.00 0.30 O ATOM 505 CB THR A 16 5.966 -6.098 4.807 1.00 0.43 C ATOM 506 OG1 THR A 16 6.176 -7.221 3.934 1.00 0.51 O ATOM 507 CG2 THR A 16 6.705 -6.344 6.116 1.00 0.54 C ATOM 0 H THR A 16 4.213 -5.546 2.995 1.00 0.25 H new ATOM 0 HA THR A 16 4.078 -6.679 5.704 1.00 0.31 H new ATOM 0 HB THR A 16 6.357 -5.186 4.356 1.00 0.43 H new ATOM 0 HG1 THR A 16 7.137 -7.344 3.785 1.00 0.51 H new ATOM 0 HG21 THR A 16 7.768 -6.479 5.914 1.00 0.54 H new ATOM 0 HG22 THR A 16 6.567 -5.489 6.778 1.00 0.54 H new ATOM 0 HG23 THR A 16 6.310 -7.241 6.594 1.00 0.54 H new ATOM 515 N LEU A 17 3.515 -3.662 4.993 1.00 0.21 N ATOM 516 CA LEU A 17 3.288 -2.290 5.491 1.00 0.21 C ATOM 517 C LEU A 17 1.804 -1.927 5.427 1.00 0.18 C ATOM 518 O LEU A 17 1.349 -1.289 4.476 1.00 0.29 O ATOM 519 CB LEU A 17 4.125 -1.286 4.677 1.00 0.35 C ATOM 520 CG LEU A 17 4.374 0.067 5.341 1.00 0.45 C ATOM 521 CD1 LEU A 17 5.054 -0.112 6.690 1.00 0.79 C ATOM 522 CD2 LEU A 17 5.229 0.936 4.434 1.00 0.76 C ATOM 0 H LEU A 17 3.092 -3.862 4.086 1.00 0.21 H new ATOM 0 HA LEU A 17 3.602 -2.245 6.534 1.00 0.21 H new ATOM 0 HB2 LEU A 17 5.089 -1.743 4.454 1.00 0.35 H new ATOM 0 HB3 LEU A 17 3.625 -1.115 3.723 1.00 0.35 H new ATOM 0 HG LEU A 17 3.414 0.556 5.505 1.00 0.45 H new ATOM 0 HD11 LEU A 17 5.222 0.864 7.145 1.00 0.79 H new ATOM 0 HD12 LEU A 17 4.418 -0.712 7.341 1.00 0.79 H new ATOM 0 HD13 LEU A 17 6.010 -0.617 6.551 1.00 0.79 H new ATOM 0 HD21 LEU A 17 5.404 1.900 4.912 1.00 0.76 H new ATOM 0 HD22 LEU A 17 6.184 0.443 4.252 1.00 0.76 H new ATOM 0 HD23 LEU A 17 4.714 1.090 3.486 1.00 0.76 H new ATOM 534 N TRP A 18 1.051 -2.359 6.436 1.00 0.13 N ATOM 535 CA TRP A 18 -0.375 -2.093 6.503 1.00 0.11 C ATOM 536 C TRP A 18 -0.674 -0.723 7.117 1.00 0.12 C ATOM 537 O TRP A 18 -0.698 -0.557 8.338 1.00 0.18 O ATOM 538 CB TRP A 18 -1.102 -3.192 7.278 1.00 0.11 C ATOM 539 CG TRP A 18 -0.986 -4.543 6.646 1.00 0.10 C ATOM 540 CD1 TRP A 18 -0.112 -5.528 6.978 1.00 0.12 C ATOM 541 CD2 TRP A 18 -1.782 -5.065 5.569 1.00 0.08 C ATOM 542 NE1 TRP A 18 -0.315 -6.616 6.193 1.00 0.12 N ATOM 543 CE2 TRP A 18 -1.328 -6.365 5.319 1.00 0.09 C ATOM 544 CE3 TRP A 18 -2.831 -4.564 4.793 1.00 0.09 C ATOM 545 CZ2 TRP A 18 -1.879 -7.178 4.341 1.00 0.09 C ATOM 546 CZ3 TRP A 18 -3.390 -5.368 3.821 1.00 0.09 C ATOM 547 CH2 TRP A 18 -2.922 -6.658 3.598 1.00 0.08 C ATOM 0 H TRP A 18 1.413 -2.899 7.222 1.00 0.13 H new ATOM 0 HA TRP A 18 -0.745 -2.085 5.478 1.00 0.11 H new ATOM 0 HB2 TRP A 18 -0.701 -3.238 8.291 1.00 0.11 H new ATOM 0 HB3 TRP A 18 -2.156 -2.929 7.364 1.00 0.11 H new ATOM 0 HD1 TRP A 18 0.636 -5.456 7.754 1.00 0.12 H new ATOM 0 HE1 TRP A 18 0.211 -7.488 6.249 1.00 0.12 H new ATOM 0 HE3 TRP A 18 -3.199 -3.561 4.952 1.00 0.09 H new ATOM 0 HZ2 TRP A 18 -1.508 -8.177 4.167 1.00 0.09 H new ATOM 0 HZ3 TRP A 18 -4.205 -4.989 3.223 1.00 0.09 H new ATOM 0 HH2 TRP A 18 -3.381 -7.264 2.831 1.00 0.08 H new ATOM 558 N ARG A 19 -0.914 0.243 6.244 1.00 0.12 N ATOM 559 CA ARG A 19 -1.278 1.616 6.635 1.00 0.13 C ATOM 560 C ARG A 19 -2.798 1.726 6.793 1.00 0.13 C ATOM 561 O ARG A 19 -3.517 0.776 6.503 1.00 0.15 O ATOM 562 CB ARG A 19 -0.768 2.587 5.554 1.00 0.19 C ATOM 563 CG ARG A 19 -0.033 1.883 4.416 1.00 0.28 C ATOM 564 CD ARG A 19 1.119 2.716 3.879 1.00 0.29 C ATOM 565 NE ARG A 19 2.195 2.816 4.862 1.00 0.61 N ATOM 566 CZ ARG A 19 2.402 3.866 5.647 1.00 1.00 C ATOM 567 NH1 ARG A 19 1.603 4.924 5.577 1.00 2.03 N ATOM 568 NH2 ARG A 19 3.415 3.862 6.502 1.00 1.09 N ATOM 0 H ARG A 19 -0.864 0.106 5.235 1.00 0.12 H new ATOM 0 HA ARG A 19 -0.820 1.870 7.591 1.00 0.13 H new ATOM 0 HB2 ARG A 19 -1.612 3.142 5.145 1.00 0.19 H new ATOM 0 HB3 ARG A 19 -0.100 3.316 6.014 1.00 0.19 H new ATOM 0 HG2 ARG A 19 0.347 0.924 4.769 1.00 0.28 H new ATOM 0 HG3 ARG A 19 -0.734 1.671 3.609 1.00 0.28 H new ATOM 0 HD2 ARG A 19 1.500 2.267 2.962 1.00 0.29 H new ATOM 0 HD3 ARG A 19 0.762 3.713 3.622 1.00 0.29 H new ATOM 0 HE ARG A 19 2.831 2.024 4.951 1.00 0.61 H new ATOM 0 HH11 ARG A 19 0.825 4.933 4.917 1.00 2.03 H new ATOM 0 HH12 ARG A 19 1.767 5.728 6.183 1.00 2.03 H new ATOM 0 HH21 ARG A 19 4.034 3.053 6.556 1.00 1.09 H new ATOM 0 HH22 ARG A 19 3.576 4.668 7.106 1.00 1.09 H new ATOM 582 N ARG A 20 -3.283 2.858 7.297 1.00 0.15 N ATOM 583 CA ARG A 20 -4.717 3.078 7.427 1.00 0.17 C ATOM 584 C ARG A 20 -5.243 4.025 6.357 1.00 0.19 C ATOM 585 O ARG A 20 -4.516 4.889 5.856 1.00 0.25 O ATOM 586 CB ARG A 20 -5.052 3.662 8.799 1.00 0.28 C ATOM 587 CG ARG A 20 -4.922 2.689 9.948 1.00 1.13 C ATOM 588 CD ARG A 20 -5.170 1.250 9.526 1.00 1.98 C ATOM 589 NE ARG A 20 -5.209 0.357 10.680 1.00 2.63 N ATOM 590 CZ ARG A 20 -4.203 -0.431 11.052 1.00 3.24 C ATOM 591 NH1 ARG A 20 -3.081 -0.476 10.340 1.00 3.59 N ATOM 592 NH2 ARG A 20 -4.321 -1.177 12.142 1.00 3.90 N ATOM 0 H ARG A 20 -2.705 3.633 7.620 1.00 0.15 H new ATOM 0 HA ARG A 20 -5.195 2.106 7.307 1.00 0.17 H new ATOM 0 HB2 ARG A 20 -4.398 4.514 8.986 1.00 0.28 H new ATOM 0 HB3 ARG A 20 -6.073 4.043 8.777 1.00 0.28 H new ATOM 0 HG2 ARG A 20 -3.924 2.771 10.377 1.00 1.13 H new ATOM 0 HG3 ARG A 20 -5.629 2.961 10.731 1.00 1.13 H new ATOM 0 HD2 ARG A 20 -6.112 1.186 8.982 1.00 1.98 H new ATOM 0 HD3 ARG A 20 -4.385 0.929 8.842 1.00 1.98 H new ATOM 0 HE ARG A 20 -6.063 0.336 11.238 1.00 2.63 H new ATOM 0 HH11 ARG A 20 -2.986 0.096 9.501 1.00 3.59 H new ATOM 0 HH12 ARG A 20 -2.315 -1.083 10.633 1.00 3.59 H new ATOM 0 HH21 ARG A 20 -5.180 -1.145 12.691 1.00 3.90 H new ATOM 0 HH22 ARG A 20 -3.553 -1.783 12.431 1.00 3.90 H new ATOM 606 N ASN A 21 -6.511 3.842 6.005 1.00 0.18 N ATOM 607 CA ASN A 21 -7.218 4.799 5.157 1.00 0.18 C ATOM 608 C ASN A 21 -8.055 5.740 6.045 1.00 0.17 C ATOM 609 O ASN A 21 -7.924 5.670 7.268 1.00 0.17 O ATOM 610 CB ASN A 21 -8.119 4.101 4.110 1.00 0.19 C ATOM 611 CG ASN A 21 -9.398 3.481 4.682 1.00 0.17 C ATOM 612 OD1 ASN A 21 -9.754 3.676 5.843 1.00 0.18 O ATOM 613 ND2 ASN A 21 -10.115 2.739 3.856 1.00 0.20 N ATOM 0 H ASN A 21 -7.072 3.040 6.293 1.00 0.18 H new ATOM 0 HA ASN A 21 -6.476 5.372 4.601 1.00 0.18 H new ATOM 0 HB2 ASN A 21 -8.393 4.827 3.344 1.00 0.19 H new ATOM 0 HB3 ASN A 21 -7.541 3.320 3.616 1.00 0.19 H new ATOM 0 HD21 ASN A 21 -10.985 2.313 4.177 1.00 0.20 H new ATOM 0 HD22 ASN A 21 -9.799 2.592 2.897 1.00 0.20 H new ATOM 620 N ALA A 22 -8.964 6.547 5.463 1.00 0.19 N ATOM 621 CA ALA A 22 -9.721 7.560 6.219 1.00 0.24 C ATOM 622 C ALA A 22 -10.515 6.981 7.399 1.00 0.26 C ATOM 623 O ALA A 22 -10.850 7.695 8.347 1.00 0.36 O ATOM 624 CB ALA A 22 -10.678 8.280 5.289 1.00 0.29 C ATOM 0 H ALA A 22 -9.191 6.515 4.469 1.00 0.19 H new ATOM 0 HA ALA A 22 -8.983 8.246 6.635 1.00 0.24 H new ATOM 0 HB1 ALA A 22 -11.237 9.029 5.850 1.00 0.29 H new ATOM 0 HB2 ALA A 22 -10.114 8.768 4.494 1.00 0.29 H new ATOM 0 HB3 ALA A 22 -11.372 7.561 4.853 1.00 0.29 H new ATOM 630 N ASN A 23 -10.801 5.692 7.351 1.00 0.25 N ATOM 631 CA ASN A 23 -11.652 5.060 8.340 1.00 0.33 C ATOM 632 C ASN A 23 -10.772 4.408 9.379 1.00 0.24 C ATOM 633 O ASN A 23 -11.235 3.870 10.385 1.00 0.35 O ATOM 634 CB ASN A 23 -12.530 4.006 7.669 1.00 0.51 C ATOM 635 CG ASN A 23 -13.572 3.415 8.602 1.00 0.85 C ATOM 636 OD1 ASN A 23 -14.095 4.104 9.478 1.00 1.16 O ATOM 637 ND2 ASN A 23 -13.874 2.133 8.440 1.00 1.61 N ATOM 0 H ASN A 23 -10.452 5.059 6.631 1.00 0.25 H new ATOM 0 HA ASN A 23 -12.296 5.803 8.809 1.00 0.33 H new ATOM 0 HB2 ASN A 23 -13.032 4.453 6.811 1.00 0.51 H new ATOM 0 HB3 ASN A 23 -11.897 3.205 7.287 1.00 0.51 H new ATOM 0 HD21 ASN A 23 -14.559 1.689 9.052 1.00 1.61 H new ATOM 0 HD22 ASN A 23 -13.421 1.592 7.704 1.00 1.61 H new ATOM 644 N GLY A 24 -9.480 4.489 9.126 1.00 0.17 N ATOM 645 CA GLY A 24 -8.543 3.732 9.892 1.00 0.20 C ATOM 646 C GLY A 24 -8.531 2.306 9.414 1.00 0.18 C ATOM 647 O GLY A 24 -8.225 1.385 10.166 1.00 0.22 O ATOM 0 H GLY A 24 -9.069 5.072 8.397 1.00 0.17 H new ATOM 0 HA2 GLY A 24 -7.547 4.165 9.798 1.00 0.20 H new ATOM 0 HA3 GLY A 24 -8.808 3.769 10.949 1.00 0.20 H new ATOM 651 N ASP A 25 -8.878 2.123 8.146 1.00 0.15 N ATOM 652 CA ASP A 25 -8.978 0.784 7.591 1.00 0.16 C ATOM 653 C ASP A 25 -7.648 0.390 6.985 1.00 0.16 C ATOM 654 O ASP A 25 -6.961 1.202 6.372 1.00 0.26 O ATOM 655 CB ASP A 25 -10.080 0.655 6.537 1.00 0.20 C ATOM 656 CG ASP A 25 -10.900 -0.612 6.693 1.00 0.63 C ATOM 657 OD1 ASP A 25 -10.547 -1.647 6.089 1.00 1.27 O ATOM 658 OD2 ASP A 25 -11.909 -0.576 7.424 1.00 0.71 O ATOM 0 H ASP A 25 -9.092 2.876 7.492 1.00 0.15 H new ATOM 0 HA ASP A 25 -9.241 0.115 8.410 1.00 0.16 H new ATOM 0 HB2 ASP A 25 -10.741 1.520 6.601 1.00 0.20 H new ATOM 0 HB3 ASP A 25 -9.630 0.671 5.544 1.00 0.20 H new ATOM 663 N PRO A 26 -7.277 -0.859 7.186 1.00 0.11 N ATOM 664 CA PRO A 26 -6.002 -1.412 6.739 1.00 0.10 C ATOM 665 C PRO A 26 -5.838 -1.380 5.218 1.00 0.08 C ATOM 666 O PRO A 26 -6.708 -1.836 4.479 1.00 0.11 O ATOM 667 CB PRO A 26 -6.030 -2.864 7.246 1.00 0.14 C ATOM 668 CG PRO A 26 -7.460 -3.149 7.577 1.00 0.21 C ATOM 669 CD PRO A 26 -8.101 -1.824 7.894 1.00 0.21 C ATOM 0 HA PRO A 26 -5.164 -0.830 7.122 1.00 0.10 H new ATOM 0 HB2 PRO A 26 -5.660 -3.552 6.486 1.00 0.14 H new ATOM 0 HB3 PRO A 26 -5.393 -2.985 8.123 1.00 0.14 H new ATOM 0 HG2 PRO A 26 -7.963 -3.632 6.739 1.00 0.21 H new ATOM 0 HG3 PRO A 26 -7.533 -3.828 8.427 1.00 0.21 H new ATOM 0 HD2 PRO A 26 -9.136 -1.790 7.555 1.00 0.21 H new ATOM 0 HD3 PRO A 26 -8.110 -1.631 8.967 1.00 0.21 H new ATOM 677 N VAL A 27 -4.704 -0.870 4.764 1.00 0.07 N ATOM 678 CA VAL A 27 -4.401 -0.798 3.328 1.00 0.08 C ATOM 679 C VAL A 27 -2.959 -1.195 3.117 1.00 0.10 C ATOM 680 O VAL A 27 -2.118 -1.005 3.995 1.00 0.11 O ATOM 681 CB VAL A 27 -4.649 0.591 2.646 1.00 0.10 C ATOM 682 CG1 VAL A 27 -6.071 0.726 2.141 1.00 0.12 C ATOM 683 CG2 VAL A 27 -4.357 1.766 3.552 1.00 0.12 C ATOM 0 H VAL A 27 -3.970 -0.496 5.366 1.00 0.07 H new ATOM 0 HA VAL A 27 -5.103 -1.481 2.850 1.00 0.08 H new ATOM 0 HB VAL A 27 -3.949 0.615 1.811 1.00 0.10 H new ATOM 0 HG11 VAL A 27 -6.201 1.703 1.675 1.00 0.12 H new ATOM 0 HG12 VAL A 27 -6.272 -0.055 1.408 1.00 0.12 H new ATOM 0 HG13 VAL A 27 -6.765 0.627 2.976 1.00 0.12 H new ATOM 0 HG21 VAL A 27 -4.550 2.695 3.016 1.00 0.12 H new ATOM 0 HG22 VAL A 27 -4.998 1.715 4.432 1.00 0.12 H new ATOM 0 HG23 VAL A 27 -3.312 1.736 3.862 1.00 0.12 H new ATOM 693 N CYS A 28 -2.680 -1.755 1.959 1.00 0.12 N ATOM 694 CA CYS A 28 -1.358 -2.234 1.643 1.00 0.15 C ATOM 695 C CYS A 28 -0.454 -1.018 1.384 1.00 0.13 C ATOM 696 O CYS A 28 -0.969 0.106 1.323 1.00 0.15 O ATOM 697 CB CYS A 28 -1.495 -3.121 0.410 1.00 0.19 C ATOM 698 SG CYS A 28 -1.627 -2.184 -1.114 1.00 0.22 S ATOM 0 H CYS A 28 -3.364 -1.889 1.214 1.00 0.12 H new ATOM 0 HA CYS A 28 -0.911 -2.812 2.452 1.00 0.15 H new ATOM 0 HB2 CYS A 28 -0.633 -3.785 0.349 1.00 0.19 H new ATOM 0 HB3 CYS A 28 -2.376 -3.753 0.519 1.00 0.19 H new ATOM 703 N ASN A 29 0.866 -1.216 1.228 1.00 0.13 N ATOM 704 CA ASN A 29 1.786 -0.107 1.023 1.00 0.17 C ATOM 705 C ASN A 29 1.256 0.890 -0.003 1.00 0.15 C ATOM 706 O ASN A 29 1.154 2.064 0.300 1.00 0.16 O ATOM 707 CB ASN A 29 3.180 -0.620 0.620 1.00 0.27 C ATOM 708 CG ASN A 29 4.235 0.471 0.634 1.00 0.70 C ATOM 709 OD1 ASN A 29 5.308 0.280 1.183 1.00 1.52 O ATOM 710 ND2 ASN A 29 3.950 1.624 0.046 1.00 0.40 N ATOM 0 H ASN A 29 1.310 -2.134 1.241 1.00 0.13 H new ATOM 0 HA ASN A 29 1.874 0.421 1.972 1.00 0.17 H new ATOM 0 HB2 ASN A 29 3.479 -1.417 1.300 1.00 0.27 H new ATOM 0 HB3 ASN A 29 3.127 -1.055 -0.378 1.00 0.27 H new ATOM 0 HD21 ASN A 29 4.636 2.379 0.045 1.00 0.40 H new ATOM 0 HD22 ASN A 29 3.045 1.756 -0.406 1.00 0.40 H new ATOM 717 N ALA A 30 0.907 0.431 -1.194 1.00 0.17 N ATOM 718 CA ALA A 30 0.499 1.334 -2.262 1.00 0.18 C ATOM 719 C ALA A 30 -0.748 2.141 -1.929 1.00 0.20 C ATOM 720 O ALA A 30 -0.754 3.354 -2.098 1.00 0.19 O ATOM 721 CB ALA A 30 0.277 0.596 -3.557 1.00 0.21 C ATOM 0 H ALA A 30 0.897 -0.557 -1.447 1.00 0.17 H new ATOM 0 HA ALA A 30 1.328 2.033 -2.374 1.00 0.18 H new ATOM 0 HB1 ALA A 30 -0.026 1.302 -4.331 1.00 0.21 H new ATOM 0 HB2 ALA A 30 1.201 0.103 -3.858 1.00 0.21 H new ATOM 0 HB3 ALA A 30 -0.505 -0.151 -3.421 1.00 0.21 H new ATOM 727 N CYS A 31 -1.803 1.481 -1.468 1.00 0.26 N ATOM 728 CA CYS A 31 -3.073 2.172 -1.246 1.00 0.30 C ATOM 729 C CYS A 31 -2.988 3.110 -0.041 1.00 0.32 C ATOM 730 O CYS A 31 -3.690 4.119 0.016 1.00 0.41 O ATOM 731 CB CYS A 31 -4.234 1.179 -1.128 1.00 0.34 C ATOM 732 SG CYS A 31 -4.353 -0.018 -2.504 1.00 0.39 S ATOM 0 H CYS A 31 -1.810 0.486 -1.243 1.00 0.26 H new ATOM 0 HA CYS A 31 -3.276 2.793 -2.119 1.00 0.30 H new ATOM 0 HB2 CYS A 31 -4.131 0.629 -0.193 1.00 0.34 H new ATOM 0 HB3 CYS A 31 -5.168 1.738 -1.068 1.00 0.34 H new ATOM 737 N GLY A 32 -2.113 2.792 0.904 1.00 0.28 N ATOM 738 CA GLY A 32 -1.831 3.725 1.992 1.00 0.29 C ATOM 739 C GLY A 32 -0.822 4.787 1.599 1.00 0.30 C ATOM 740 O GLY A 32 -0.945 5.932 2.012 1.00 0.46 O ATOM 0 H GLY A 32 -1.595 1.914 0.942 1.00 0.28 H new ATOM 0 HA2 GLY A 32 -2.758 4.207 2.303 1.00 0.29 H new ATOM 0 HA3 GLY A 32 -1.455 3.172 2.853 1.00 0.29 H new ATOM 744 N LEU A 33 0.180 4.411 0.812 1.00 0.19 N ATOM 745 CA LEU A 33 1.176 5.371 0.334 1.00 0.16 C ATOM 746 C LEU A 33 0.472 6.403 -0.506 1.00 0.14 C ATOM 747 O LEU A 33 0.670 7.603 -0.333 1.00 0.15 O ATOM 748 CB LEU A 33 2.278 4.688 -0.499 1.00 0.16 C ATOM 749 CG LEU A 33 3.445 5.565 -0.943 1.00 0.19 C ATOM 750 CD1 LEU A 33 4.731 4.754 -1.018 1.00 0.48 C ATOM 751 CD2 LEU A 33 3.154 6.124 -2.310 1.00 0.54 C ATOM 0 H LEU A 33 0.326 3.454 0.491 1.00 0.19 H new ATOM 0 HA LEU A 33 1.659 5.832 1.195 1.00 0.16 H new ATOM 0 HB2 LEU A 33 2.679 3.858 0.083 1.00 0.16 H new ATOM 0 HB3 LEU A 33 1.816 4.260 -1.389 1.00 0.16 H new ATOM 0 HG LEU A 33 3.569 6.368 -0.216 1.00 0.19 H new ATOM 0 HD11 LEU A 33 5.550 5.399 -1.336 1.00 0.48 H new ATOM 0 HD12 LEU A 33 4.957 4.339 -0.036 1.00 0.48 H new ATOM 0 HD13 LEU A 33 4.608 3.943 -1.735 1.00 0.48 H new ATOM 0 HD21 LEU A 33 3.985 6.751 -2.631 1.00 0.54 H new ATOM 0 HD22 LEU A 33 3.023 5.305 -3.018 1.00 0.54 H new ATOM 0 HD23 LEU A 33 2.243 6.721 -2.273 1.00 0.54 H new ATOM 763 N TYR A 34 -0.398 5.924 -1.383 1.00 0.14 N ATOM 764 CA TYR A 34 -0.996 6.773 -2.363 1.00 0.16 C ATOM 765 C TYR A 34 -1.974 7.751 -1.743 1.00 0.13 C ATOM 766 O TYR A 34 -1.924 8.950 -2.020 1.00 0.15 O ATOM 767 CB TYR A 34 -1.696 5.931 -3.419 1.00 0.24 C ATOM 768 CG TYR A 34 -2.269 6.716 -4.557 1.00 0.25 C ATOM 769 CD1 TYR A 34 -3.544 7.260 -4.495 1.00 0.26 C ATOM 770 CD2 TYR A 34 -1.531 6.884 -5.709 1.00 0.30 C ATOM 771 CE1 TYR A 34 -4.062 7.959 -5.568 1.00 0.32 C ATOM 772 CE2 TYR A 34 -2.035 7.579 -6.778 1.00 0.35 C ATOM 773 CZ TYR A 34 -3.302 8.115 -6.706 1.00 0.36 C ATOM 774 OH TYR A 34 -3.805 8.819 -7.768 1.00 0.44 O ATOM 0 H TYR A 34 -0.696 4.949 -1.424 1.00 0.14 H new ATOM 0 HA TYR A 34 -0.201 7.356 -2.828 1.00 0.16 H new ATOM 0 HB2 TYR A 34 -0.987 5.205 -3.816 1.00 0.24 H new ATOM 0 HB3 TYR A 34 -2.498 5.366 -2.943 1.00 0.24 H new ATOM 0 HD1 TYR A 34 -4.136 7.136 -3.600 1.00 0.26 H new ATOM 0 HD2 TYR A 34 -0.539 6.461 -5.771 1.00 0.30 H new ATOM 0 HE1 TYR A 34 -5.055 8.380 -5.515 1.00 0.32 H new ATOM 0 HE2 TYR A 34 -1.442 7.706 -7.672 1.00 0.35 H new ATOM 0 HH TYR A 34 -3.144 8.837 -8.491 1.00 0.44 H new ATOM 784 N TYR A 35 -2.880 7.234 -0.926 1.00 0.14 N ATOM 785 CA TYR A 35 -3.851 8.079 -0.237 1.00 0.17 C ATOM 786 C TYR A 35 -3.153 9.153 0.583 1.00 0.16 C ATOM 787 O TYR A 35 -3.696 10.233 0.798 1.00 0.20 O ATOM 788 CB TYR A 35 -4.747 7.233 0.668 1.00 0.24 C ATOM 789 CG TYR A 35 -5.915 7.978 1.255 1.00 0.30 C ATOM 790 CD1 TYR A 35 -7.190 7.791 0.769 1.00 0.35 C ATOM 791 CD2 TYR A 35 -5.739 8.864 2.300 1.00 0.50 C ATOM 792 CE1 TYR A 35 -8.262 8.457 1.301 1.00 0.42 C ATOM 793 CE2 TYR A 35 -6.797 9.540 2.840 1.00 0.57 C ATOM 794 CZ TYR A 35 -8.064 9.336 2.342 1.00 0.45 C ATOM 795 OH TYR A 35 -9.134 10.004 2.888 1.00 0.57 O ATOM 0 H TYR A 35 -2.965 6.238 -0.723 1.00 0.14 H new ATOM 0 HA TYR A 35 -4.467 8.567 -0.992 1.00 0.17 H new ATOM 0 HB2 TYR A 35 -5.123 6.384 0.097 1.00 0.24 H new ATOM 0 HB3 TYR A 35 -4.144 6.828 1.481 1.00 0.24 H new ATOM 0 HD1 TYR A 35 -7.348 7.104 -0.049 1.00 0.35 H new ATOM 0 HD2 TYR A 35 -4.748 9.025 2.697 1.00 0.50 H new ATOM 0 HE1 TYR A 35 -9.254 8.294 0.907 1.00 0.42 H new ATOM 0 HE2 TYR A 35 -6.640 10.232 3.654 1.00 0.57 H new ATOM 0 HH TYR A 35 -9.039 10.965 2.721 1.00 0.57 H new ATOM 805 N LYS A 36 -1.940 8.882 1.012 1.00 0.15 N ATOM 806 CA LYS A 36 -1.235 9.827 1.846 1.00 0.21 C ATOM 807 C LYS A 36 -0.764 10.992 1.022 1.00 0.22 C ATOM 808 O LYS A 36 -0.646 12.115 1.506 1.00 0.32 O ATOM 809 CB LYS A 36 -0.068 9.156 2.531 1.00 0.28 C ATOM 810 CG LYS A 36 -0.443 8.590 3.893 1.00 0.38 C ATOM 811 CD LYS A 36 -1.835 7.964 3.920 1.00 0.50 C ATOM 812 CE LYS A 36 -2.317 7.740 5.345 1.00 0.84 C ATOM 813 NZ LYS A 36 -3.786 7.512 5.411 1.00 1.23 N ATOM 0 H LYS A 36 -1.427 8.026 0.800 1.00 0.15 H new ATOM 0 HA LYS A 36 -1.917 10.196 2.613 1.00 0.21 H new ATOM 0 HB2 LYS A 36 0.309 8.353 1.898 1.00 0.28 H new ATOM 0 HB3 LYS A 36 0.743 9.875 2.650 1.00 0.28 H new ATOM 0 HG2 LYS A 36 0.292 7.839 4.182 1.00 0.38 H new ATOM 0 HG3 LYS A 36 -0.395 9.386 4.636 1.00 0.38 H new ATOM 0 HD2 LYS A 36 -2.537 8.612 3.395 1.00 0.50 H new ATOM 0 HD3 LYS A 36 -1.818 7.014 3.387 1.00 0.50 H new ATOM 0 HE2 LYS A 36 -1.798 6.882 5.772 1.00 0.84 H new ATOM 0 HE3 LYS A 36 -2.057 8.605 5.955 1.00 0.84 H new ATOM 0 HZ1 LYS A 36 -4.180 8.020 6.229 1.00 1.23 H new ATOM 0 HZ2 LYS A 36 -4.231 7.862 4.539 1.00 1.23 H new ATOM 0 HZ3 LYS A 36 -3.975 6.494 5.512 1.00 1.23 H new ATOM 827 N LEU A 37 -0.496 10.702 -0.226 1.00 0.20 N ATOM 828 CA LEU A 37 -0.082 11.718 -1.159 1.00 0.24 C ATOM 829 C LEU A 37 -1.294 12.485 -1.683 1.00 0.25 C ATOM 830 O LEU A 37 -1.267 13.707 -1.816 1.00 0.31 O ATOM 831 CB LEU A 37 0.643 11.087 -2.354 1.00 0.29 C ATOM 832 CG LEU A 37 1.503 9.873 -2.035 1.00 0.49 C ATOM 833 CD1 LEU A 37 1.860 9.129 -3.306 1.00 1.19 C ATOM 834 CD2 LEU A 37 2.766 10.271 -1.300 1.00 0.67 C ATOM 0 H LEU A 37 -0.558 9.764 -0.621 1.00 0.20 H new ATOM 0 HA LEU A 37 0.590 12.397 -0.635 1.00 0.24 H new ATOM 0 HB2 LEU A 37 -0.101 10.798 -3.096 1.00 0.29 H new ATOM 0 HB3 LEU A 37 1.275 11.846 -2.815 1.00 0.29 H new ATOM 0 HG LEU A 37 0.922 9.217 -1.387 1.00 0.49 H new ATOM 0 HD11 LEU A 37 2.475 8.263 -3.060 1.00 1.19 H new ATOM 0 HD12 LEU A 37 0.948 8.797 -3.802 1.00 1.19 H new ATOM 0 HD13 LEU A 37 2.414 9.791 -3.972 1.00 1.19 H new ATOM 0 HD21 LEU A 37 3.359 9.381 -1.087 1.00 0.67 H new ATOM 0 HD22 LEU A 37 3.347 10.954 -1.919 1.00 0.67 H new ATOM 0 HD23 LEU A 37 2.502 10.764 -0.364 1.00 0.67 H new ATOM 846 N HIS A 38 -2.358 11.744 -1.991 1.00 0.23 N ATOM 847 CA HIS A 38 -3.425 12.265 -2.842 1.00 0.28 C ATOM 848 C HIS A 38 -4.815 12.267 -2.193 1.00 0.30 C ATOM 849 O HIS A 38 -5.783 12.690 -2.829 1.00 0.37 O ATOM 850 CB HIS A 38 -3.451 11.460 -4.139 1.00 0.29 C ATOM 851 CG HIS A 38 -2.228 11.668 -4.985 1.00 0.35 C ATOM 852 ND1 HIS A 38 -1.848 10.813 -5.993 1.00 1.00 N ATOM 853 CD2 HIS A 38 -1.268 12.623 -4.927 1.00 1.02 C ATOM 854 CE1 HIS A 38 -0.703 11.226 -6.507 1.00 0.77 C ATOM 855 NE2 HIS A 38 -0.331 12.324 -5.880 1.00 0.69 N ATOM 0 H HIS A 38 -2.503 10.788 -1.666 1.00 0.23 H new ATOM 0 HA HIS A 38 -3.196 13.314 -3.028 1.00 0.28 H new ATOM 0 HB2 HIS A 38 -3.545 10.401 -3.900 1.00 0.29 H new ATOM 0 HB3 HIS A 38 -4.335 11.737 -4.714 1.00 0.29 H new ATOM 0 HD1 HIS A 38 -2.368 9.990 -6.296 1.00 1.00 H new ATOM 0 HD2 HIS A 38 -1.246 13.466 -4.252 1.00 1.02 H new ATOM 0 HE1 HIS A 38 -0.162 10.744 -7.308 1.00 0.77 H new ATOM 864 N ASN A 39 -4.916 11.790 -0.949 1.00 0.26 N ATOM 865 CA ASN A 39 -6.188 11.801 -0.193 1.00 0.30 C ATOM 866 C ASN A 39 -7.244 10.918 -0.843 1.00 0.32 C ATOM 867 O ASN A 39 -8.443 11.110 -0.636 1.00 0.40 O ATOM 868 CB ASN A 39 -6.711 13.220 -0.102 1.00 0.39 C ATOM 869 CG ASN A 39 -7.381 13.549 1.225 1.00 1.01 C ATOM 870 OD1 ASN A 39 -7.946 12.555 1.895 1.00 1.57 O flip ATOM 871 ND2 ASN A 39 -7.382 14.700 1.652 1.00 1.87 N flip ATOM 0 H ASN A 39 -4.132 11.388 -0.435 1.00 0.26 H new ATOM 0 HA ASN A 39 -5.985 11.405 0.802 1.00 0.30 H new ATOM 0 HB2 ASN A 39 -5.884 13.912 -0.261 1.00 0.39 H new ATOM 0 HB3 ASN A 39 -7.425 13.386 -0.909 1.00 0.39 H new ATOM 0 HD21 ASN A 39 -6.939 15.444 1.113 1.00 1.87 H new ATOM 0 HD22 ASN A 39 -7.826 14.912 2.545 1.00 1.87 H new ATOM 878 N VAL A 40 -6.798 9.925 -1.585 1.00 0.30 N ATOM 879 CA VAL A 40 -7.702 9.039 -2.309 1.00 0.38 C ATOM 880 C VAL A 40 -7.075 7.670 -2.480 1.00 0.37 C ATOM 881 O VAL A 40 -5.862 7.519 -2.335 1.00 0.30 O ATOM 882 CB VAL A 40 -8.105 9.571 -3.706 1.00 0.45 C ATOM 883 CG1 VAL A 40 -9.252 10.549 -3.607 1.00 0.59 C ATOM 884 CG2 VAL A 40 -6.940 10.233 -4.417 1.00 0.42 C ATOM 0 H VAL A 40 -5.809 9.706 -1.706 1.00 0.30 H new ATOM 0 HA VAL A 40 -8.606 8.983 -1.703 1.00 0.38 H new ATOM 0 HB VAL A 40 -8.419 8.706 -4.289 1.00 0.45 H new ATOM 0 HG11 VAL A 40 -9.513 10.906 -4.603 1.00 0.59 H new ATOM 0 HG12 VAL A 40 -10.115 10.054 -3.161 1.00 0.59 H new ATOM 0 HG13 VAL A 40 -8.957 11.394 -2.985 1.00 0.59 H new ATOM 0 HG21 VAL A 40 -7.266 10.592 -5.393 1.00 0.42 H new ATOM 0 HG22 VAL A 40 -6.581 11.073 -3.823 1.00 0.42 H new ATOM 0 HG23 VAL A 40 -6.135 9.510 -4.547 1.00 0.42 H new ATOM 894 N ASN A 41 -7.895 6.680 -2.793 1.00 0.50 N ATOM 895 CA ASN A 41 -7.405 5.327 -2.994 1.00 0.55 C ATOM 896 C ASN A 41 -6.584 5.267 -4.260 1.00 0.44 C ATOM 897 O ASN A 41 -6.645 6.177 -5.088 1.00 0.43 O ATOM 898 CB ASN A 41 -8.550 4.316 -3.060 1.00 0.78 C ATOM 899 CG ASN A 41 -9.007 3.867 -1.687 1.00 1.16 C ATOM 900 OD1 ASN A 41 -8.489 2.897 -1.133 1.00 1.73 O ATOM 901 ND2 ASN A 41 -9.980 4.566 -1.132 1.00 1.16 N ATOM 0 H ASN A 41 -8.902 6.788 -2.913 1.00 0.50 H new ATOM 0 HA ASN A 41 -6.782 5.062 -2.140 1.00 0.55 H new ATOM 0 HB2 ASN A 41 -9.391 4.759 -3.593 1.00 0.78 H new ATOM 0 HB3 ASN A 41 -8.231 3.447 -3.635 1.00 0.78 H new ATOM 0 HD21 ASN A 41 -10.330 4.309 -0.209 1.00 1.16 H new ATOM 0 HD22 ASN A 41 -10.381 5.363 -1.626 1.00 1.16 H new ATOM 908 N ARG A 42 -5.819 4.206 -4.415 1.00 0.46 N ATOM 909 CA ARG A 42 -4.890 4.119 -5.521 1.00 0.39 C ATOM 910 C ARG A 42 -5.519 3.387 -6.694 1.00 0.45 C ATOM 911 O ARG A 42 -5.738 2.178 -6.608 1.00 0.51 O ATOM 912 CB ARG A 42 -3.599 3.417 -5.094 1.00 0.48 C ATOM 913 CG ARG A 42 -2.524 3.452 -6.169 1.00 1.13 C ATOM 914 CD ARG A 42 -1.211 2.886 -5.666 1.00 1.57 C ATOM 915 NE ARG A 42 -0.118 3.119 -6.608 1.00 2.08 N ATOM 916 CZ ARG A 42 1.062 3.647 -6.272 1.00 2.71 C ATOM 917 NH1 ARG A 42 1.312 4.006 -5.016 1.00 3.32 N ATOM 918 NH2 ARG A 42 1.995 3.813 -7.196 1.00 3.14 N ATOM 0 H ARG A 42 -5.822 3.397 -3.793 1.00 0.46 H new ATOM 0 HA ARG A 42 -4.645 5.134 -5.834 1.00 0.39 H new ATOM 0 HB2 ARG A 42 -3.217 3.889 -4.189 1.00 0.48 H new ATOM 0 HB3 ARG A 42 -3.821 2.380 -4.843 1.00 0.48 H new ATOM 0 HG2 ARG A 42 -2.858 2.882 -7.036 1.00 1.13 H new ATOM 0 HG3 ARG A 42 -2.374 4.479 -6.501 1.00 1.13 H new ATOM 0 HD2 ARG A 42 -0.965 3.339 -4.706 1.00 1.57 H new ATOM 0 HD3 ARG A 42 -1.320 1.815 -5.494 1.00 1.57 H new ATOM 0 HE ARG A 42 -0.266 2.862 -7.584 1.00 2.08 H new ATOM 0 HH11 ARG A 42 0.599 3.879 -4.298 1.00 3.32 H new ATOM 0 HH12 ARG A 42 2.217 4.408 -4.771 1.00 3.32 H new ATOM 0 HH21 ARG A 42 1.812 3.538 -8.161 1.00 3.14 H new ATOM 0 HH22 ARG A 42 2.897 4.216 -6.943 1.00 3.14 H new ATOM 932 N PRO A 43 -5.850 4.105 -7.792 1.00 0.53 N ATOM 933 CA PRO A 43 -6.310 3.471 -9.026 1.00 0.67 C ATOM 934 C PRO A 43 -5.316 2.426 -9.480 1.00 0.66 C ATOM 935 O PRO A 43 -4.158 2.733 -9.768 1.00 0.68 O ATOM 936 CB PRO A 43 -6.385 4.630 -10.016 1.00 0.80 C ATOM 937 CG PRO A 43 -6.648 5.806 -9.153 1.00 0.73 C ATOM 938 CD PRO A 43 -5.824 5.576 -7.921 1.00 0.55 C ATOM 0 HA PRO A 43 -7.263 2.953 -8.918 1.00 0.67 H new ATOM 0 HB2 PRO A 43 -5.456 4.742 -10.574 1.00 0.80 H new ATOM 0 HB3 PRO A 43 -7.180 4.483 -10.747 1.00 0.80 H new ATOM 0 HG2 PRO A 43 -6.363 6.733 -9.651 1.00 0.73 H new ATOM 0 HG3 PRO A 43 -7.707 5.888 -8.910 1.00 0.73 H new ATOM 0 HD2 PRO A 43 -4.809 5.956 -8.035 1.00 0.55 H new ATOM 0 HD3 PRO A 43 -6.253 6.068 -7.048 1.00 0.55 H new ATOM 946 N LEU A 44 -5.773 1.197 -9.538 1.00 0.72 N ATOM 947 CA LEU A 44 -4.882 0.070 -9.699 1.00 0.73 C ATOM 948 C LEU A 44 -5.609 -1.105 -10.338 1.00 1.12 C ATOM 949 O LEU A 44 -5.404 -1.417 -11.512 1.00 1.52 O ATOM 950 CB LEU A 44 -4.329 -0.313 -8.320 1.00 0.81 C ATOM 951 CG LEU A 44 -2.821 -0.574 -8.231 1.00 0.88 C ATOM 952 CD1 LEU A 44 -2.026 0.507 -8.951 1.00 1.80 C ATOM 953 CD2 LEU A 44 -2.405 -0.636 -6.768 1.00 0.84 C ATOM 0 H LEU A 44 -6.761 0.951 -9.476 1.00 0.72 H new ATOM 0 HA LEU A 44 -4.060 0.341 -10.361 1.00 0.73 H new ATOM 0 HB2 LEU A 44 -4.578 0.485 -7.620 1.00 0.81 H new ATOM 0 HB3 LEU A 44 -4.850 -1.209 -7.981 1.00 0.81 H new ATOM 0 HG LEU A 44 -2.608 -1.525 -8.719 1.00 0.88 H new ATOM 0 HD11 LEU A 44 -0.961 0.291 -8.868 1.00 1.80 H new ATOM 0 HD12 LEU A 44 -2.311 0.529 -10.003 1.00 1.80 H new ATOM 0 HD13 LEU A 44 -2.236 1.476 -8.498 1.00 1.80 H new ATOM 0 HD21 LEU A 44 -1.333 -0.822 -6.702 1.00 0.84 H new ATOM 0 HD22 LEU A 44 -2.640 0.311 -6.283 1.00 0.84 H new ATOM 0 HD23 LEU A 44 -2.944 -1.442 -6.270 1.00 0.84 H new ATOM 965 N THR A 45 -6.465 -1.733 -9.561 1.00 1.43 N ATOM 966 CA THR A 45 -7.244 -2.869 -10.023 1.00 1.89 C ATOM 967 C THR A 45 -8.717 -2.666 -9.646 1.00 2.49 C ATOM 968 O THR A 45 -9.146 -1.524 -9.455 1.00 3.12 O ATOM 969 CB THR A 45 -6.704 -4.179 -9.412 1.00 2.47 C ATOM 970 OG1 THR A 45 -6.355 -3.973 -8.034 1.00 2.85 O ATOM 971 CG2 THR A 45 -5.487 -4.679 -10.178 1.00 3.21 C ATOM 0 H THR A 45 -6.643 -1.473 -8.591 1.00 1.43 H new ATOM 0 HA THR A 45 -7.160 -2.943 -11.107 1.00 1.89 H new ATOM 0 HB THR A 45 -7.489 -4.932 -9.480 1.00 2.47 H new ATOM 0 HG1 THR A 45 -6.015 -4.810 -7.654 1.00 2.85 H new ATOM 0 HG21 THR A 45 -5.127 -5.603 -9.726 1.00 3.21 H new ATOM 0 HG22 THR A 45 -5.762 -4.866 -11.216 1.00 3.21 H new ATOM 0 HG23 THR A 45 -4.699 -3.926 -10.141 1.00 3.21 H new ATOM 979 N MET A 46 -9.502 -3.742 -9.543 1.00 3.01 N ATOM 980 CA MET A 46 -10.888 -3.601 -9.099 1.00 4.06 C ATOM 981 C MET A 46 -10.928 -3.497 -7.581 1.00 4.82 C ATOM 982 O MET A 46 -10.802 -2.410 -7.016 1.00 5.29 O ATOM 983 CB MET A 46 -11.770 -4.768 -9.584 1.00 4.43 C ATOM 984 CG MET A 46 -13.258 -4.524 -9.376 1.00 5.26 C ATOM 985 SD MET A 46 -14.265 -5.946 -9.839 1.00 5.98 S ATOM 986 CE MET A 46 -13.866 -6.086 -11.581 1.00 6.47 C ATOM 0 H MET A 46 -9.210 -4.696 -9.755 1.00 3.01 H new ATOM 0 HA MET A 46 -11.293 -2.690 -9.539 1.00 4.06 H new ATOM 0 HB2 MET A 46 -11.582 -4.941 -10.644 1.00 4.43 H new ATOM 0 HB3 MET A 46 -11.481 -5.677 -9.056 1.00 4.43 H new ATOM 0 HG2 MET A 46 -13.440 -4.280 -8.329 1.00 5.26 H new ATOM 0 HG3 MET A 46 -13.566 -3.659 -9.963 1.00 5.26 H new ATOM 0 HE1 MET A 46 -14.614 -6.705 -12.077 1.00 6.47 H new ATOM 0 HE2 MET A 46 -13.858 -5.094 -12.033 1.00 6.47 H new ATOM 0 HE3 MET A 46 -12.883 -6.544 -11.694 1.00 6.47 H new ATOM 996 N LYS A 47 -11.096 -4.634 -6.933 1.00 5.35 N ATOM 997 CA LYS A 47 -11.002 -4.732 -5.484 1.00 6.39 C ATOM 998 C LYS A 47 -10.298 -6.029 -5.126 1.00 6.45 C ATOM 999 O LYS A 47 -9.612 -6.125 -4.116 1.00 7.14 O ATOM 1000 CB LYS A 47 -12.383 -4.665 -4.820 1.00 7.52 C ATOM 1001 CG LYS A 47 -13.107 -3.351 -5.060 1.00 8.31 C ATOM 1002 CD LYS A 47 -14.394 -3.261 -4.265 1.00 9.24 C ATOM 1003 CE LYS A 47 -15.153 -1.981 -4.581 1.00 10.03 C ATOM 1004 NZ LYS A 47 -14.330 -0.763 -4.343 1.00 10.60 N ATOM 0 H LYS A 47 -11.302 -5.519 -7.395 1.00 5.35 H new ATOM 0 HA LYS A 47 -10.429 -3.883 -5.110 1.00 6.39 H new ATOM 0 HB2 LYS A 47 -12.998 -5.483 -5.195 1.00 7.52 H new ATOM 0 HB3 LYS A 47 -12.269 -4.817 -3.747 1.00 7.52 H new ATOM 0 HG2 LYS A 47 -12.454 -2.522 -4.788 1.00 8.31 H new ATOM 0 HG3 LYS A 47 -13.329 -3.247 -6.122 1.00 8.31 H new ATOM 0 HD2 LYS A 47 -15.022 -4.123 -4.488 1.00 9.24 H new ATOM 0 HD3 LYS A 47 -14.169 -3.298 -3.199 1.00 9.24 H new ATOM 0 HE2 LYS A 47 -15.477 -2.001 -5.622 1.00 10.03 H new ATOM 0 HE3 LYS A 47 -16.053 -1.934 -3.968 1.00 10.03 H new ATOM 0 HZ1 LYS A 47 -14.933 0.082 -4.407 1.00 10.60 H new ATOM 0 HZ2 LYS A 47 -13.903 -0.812 -3.396 1.00 10.60 H new ATOM 0 HZ3 LYS A 47 -13.578 -0.706 -5.060 1.00 10.60 H new ATOM 1018 N LYS A 48 -10.491 -7.034 -5.967 1.00 6.06 N ATOM 1019 CA LYS A 48 -9.708 -8.253 -5.896 1.00 6.40 C ATOM 1020 C LYS A 48 -9.092 -8.526 -7.264 1.00 6.04 C ATOM 1021 O LYS A 48 -9.525 -9.426 -7.985 1.00 6.58 O ATOM 1022 CB LYS A 48 -10.576 -9.433 -5.437 1.00 7.59 C ATOM 1023 CG LYS A 48 -9.822 -10.752 -5.306 1.00 8.29 C ATOM 1024 CD LYS A 48 -8.685 -10.661 -4.300 1.00 9.18 C ATOM 1025 CE LYS A 48 -7.979 -11.998 -4.138 1.00 9.92 C ATOM 1026 NZ LYS A 48 -6.874 -11.933 -3.148 1.00 10.22 N ATOM 0 H LYS A 48 -11.189 -7.026 -6.711 1.00 6.06 H new ATOM 0 HA LYS A 48 -8.912 -8.131 -5.161 1.00 6.40 H new ATOM 0 HB2 LYS A 48 -11.024 -9.187 -4.474 1.00 7.59 H new ATOM 0 HB3 LYS A 48 -11.394 -9.564 -6.145 1.00 7.59 H new ATOM 0 HG2 LYS A 48 -10.514 -11.537 -5.001 1.00 8.29 H new ATOM 0 HG3 LYS A 48 -9.423 -11.040 -6.279 1.00 8.29 H new ATOM 0 HD2 LYS A 48 -7.969 -9.907 -4.626 1.00 9.18 H new ATOM 0 HD3 LYS A 48 -9.075 -10.335 -3.336 1.00 9.18 H new ATOM 0 HE2 LYS A 48 -8.701 -12.752 -3.825 1.00 9.92 H new ATOM 0 HE3 LYS A 48 -7.582 -12.317 -5.102 1.00 9.92 H new ATOM 0 HZ1 LYS A 48 -6.422 -12.866 -3.071 1.00 10.22 H new ATOM 0 HZ2 LYS A 48 -6.171 -11.232 -3.458 1.00 10.22 H new ATOM 0 HZ3 LYS A 48 -7.254 -11.655 -2.221 1.00 10.22 H new ATOM 1040 N GLU A 49 -8.103 -7.706 -7.621 1.00 5.38 N ATOM 1041 CA GLU A 49 -7.405 -7.819 -8.899 1.00 5.42 C ATOM 1042 C GLU A 49 -8.359 -7.559 -10.064 1.00 5.55 C ATOM 1043 O GLU A 49 -8.794 -8.532 -10.722 1.00 5.89 O ATOM 1044 CB GLU A 49 -6.744 -9.195 -9.035 1.00 5.41 C ATOM 1045 CG GLU A 49 -5.653 -9.448 -8.007 1.00 5.86 C ATOM 1046 CD GLU A 49 -5.166 -10.881 -8.019 1.00 6.53 C ATOM 1047 OE1 GLU A 49 -5.390 -11.596 -7.018 1.00 7.00 O ATOM 1048 OE2 GLU A 49 -4.575 -11.305 -9.033 1.00 6.85 O ATOM 1049 OXT GLU A 49 -8.678 -6.376 -10.310 1.00 5.74 O ATOM 0 H GLU A 49 -7.764 -6.946 -7.032 1.00 5.38 H new ATOM 0 HA GLU A 49 -6.623 -7.061 -8.927 1.00 5.42 H new ATOM 0 HB2 GLU A 49 -7.508 -9.967 -8.940 1.00 5.41 H new ATOM 0 HB3 GLU A 49 -6.319 -9.288 -10.034 1.00 5.41 H new ATOM 0 HG2 GLU A 49 -4.813 -8.781 -8.201 1.00 5.86 H new ATOM 0 HG3 GLU A 49 -6.030 -9.204 -7.014 1.00 5.86 H new TER 1056 GLU A 49 HETATM 1057 ZN ZN A 101 -3.844 -2.101 -1.668 1.00 0.29 ZN