USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 652 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 47 SER OG : rot -86:sc= 0.739 USER MOD Set 1.2: A 56 HIS :FLIP no HD1:sc= 0.657 F(o=-0.66,f=1.4) USER MOD Single : A 5 HIS : no HD1:sc= -0.0739 K(o=-0.074,f=-1.6!) USER MOD Single : A 6 HIS : no HD1:sc= -0.381 X(o=-0.38,f=0.088) USER MOD Single : A 9 LYS NZ :NH3+ -127:sc= 1.26 (180deg=-1.38) USER MOD Single : A 10 THR OG1 : rot 27:sc= -2.5! USER MOD Single : A 12 ASN : amide:sc= -0.451 K(o=-0.45,f=-1.1!) USER MOD Single : A 15 SER OG : rot -42:sc= 1.03 USER MOD Single : A 16 SER OG : rot 180:sc= -0.0432 USER MOD Single : A 17 ASN : amide:sc= -10! C(o=-10!,f=-26!) USER MOD Single : A 19 ASN :FLIP amide:sc= -0.0329 F(o=-0.73,f=-0.033) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 160:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot -150:sc= -3.3! USER MOD Single : A 55 LYS NZ :NH3+ -158:sc= -5.46! (180deg=-7.03!) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 ASN :FLIP amide:sc= -0.11 F(o=-2.8!,f=-0.11) USER MOD Single : A 77 SER OG : rot 32:sc= 0.0504 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS :FLIP no HE2:sc= -1.04 F(o=-2.4!,f=-1) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN :FLIP amide:sc= -0.293 F(o=-1.2!,f=-0.29) USER MOD Single : A 87 HIS : no HD1:sc= -0.0468 X(o=-0.047,f=-0.062) USER MOD Single : A 88 THR OG1 : rot 84:sc= 0.308 USER MOD Single : A 89 SER OG : rot 180:sc= -1.71! USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 94 ASN : amide:sc=-0.00864 X(o=-0.0086,f=-0.21) USER MOD Single : A 96 SER OG : rot -6:sc= 0.749 USER MOD Single : A 98 ASN : amide:sc= -1.54 K(o=-1.5,f=-6.8!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 30 N LEU A 3 92.909 -0.586 -14.847 1.00 0.00 N ATOM 31 CA LEU A 3 92.864 -0.609 -13.357 1.00 0.00 C ATOM 32 C LEU A 3 91.592 -1.351 -12.924 1.00 0.00 C ATOM 33 O LEU A 3 90.532 -1.126 -13.464 1.00 0.00 O ATOM 34 CB LEU A 3 92.831 0.832 -12.840 1.00 0.00 C ATOM 35 CG LEU A 3 94.115 1.557 -13.255 1.00 0.00 C ATOM 36 CD1 LEU A 3 93.960 3.056 -13.001 1.00 0.00 C ATOM 37 CD2 LEU A 3 95.294 1.027 -12.436 1.00 0.00 C ATOM 0 HA LEU A 3 93.740 -1.115 -12.951 1.00 0.00 H new ATOM 0 HB2 LEU A 3 91.962 1.353 -13.241 1.00 0.00 H new ATOM 0 HB3 LEU A 3 92.733 0.837 -11.754 1.00 0.00 H new ATOM 0 HG LEU A 3 94.299 1.381 -14.315 1.00 0.00 H new ATOM 0 HD11 LEU A 3 94.874 3.571 -13.296 1.00 0.00 H new ATOM 0 HD12 LEU A 3 93.123 3.439 -13.584 1.00 0.00 H new ATOM 0 HD13 LEU A 3 93.773 3.228 -11.941 1.00 0.00 H new ATOM 0 HD21 LEU A 3 96.206 1.545 -12.734 1.00 0.00 H new ATOM 0 HD22 LEU A 3 95.108 1.200 -11.376 1.00 0.00 H new ATOM 0 HD23 LEU A 3 95.409 -0.042 -12.614 1.00 0.00 H new ATOM 49 N PRO A 4 91.685 -2.237 -11.966 1.00 0.00 N ATOM 50 CA PRO A 4 90.507 -3.017 -11.503 1.00 0.00 C ATOM 51 C PRO A 4 89.528 -2.134 -10.736 1.00 0.00 C ATOM 52 O PRO A 4 88.458 -2.554 -10.345 1.00 0.00 O ATOM 53 CB PRO A 4 91.097 -4.097 -10.597 1.00 0.00 C ATOM 54 CG PRO A 4 92.425 -3.576 -10.151 1.00 0.00 C ATOM 55 CD PRO A 4 92.904 -2.578 -11.213 1.00 0.00 C ATOM 0 HA PRO A 4 89.939 -3.437 -12.333 1.00 0.00 H new ATOM 0 HB2 PRO A 4 90.446 -4.290 -9.744 1.00 0.00 H new ATOM 0 HB3 PRO A 4 91.207 -5.040 -11.133 1.00 0.00 H new ATOM 0 HG2 PRO A 4 92.341 -3.091 -9.178 1.00 0.00 H new ATOM 0 HG3 PRO A 4 93.140 -4.391 -10.040 1.00 0.00 H new ATOM 0 HD2 PRO A 4 93.350 -1.694 -10.756 1.00 0.00 H new ATOM 0 HD3 PRO A 4 93.662 -3.019 -11.861 1.00 0.00 H new ATOM 63 N HIS A 5 89.898 -0.903 -10.532 1.00 0.00 N ATOM 64 CA HIS A 5 89.010 0.030 -9.799 1.00 0.00 C ATOM 65 C HIS A 5 87.835 0.413 -10.699 1.00 0.00 C ATOM 66 O HIS A 5 86.788 0.806 -10.230 1.00 0.00 O ATOM 67 CB HIS A 5 89.803 1.277 -9.396 1.00 0.00 C ATOM 68 CG HIS A 5 90.920 0.866 -8.476 1.00 0.00 C ATOM 69 ND1 HIS A 5 90.814 0.951 -7.096 1.00 0.00 N ATOM 70 CD2 HIS A 5 92.164 0.333 -8.722 1.00 0.00 C ATOM 71 CE1 HIS A 5 91.959 0.475 -6.569 1.00 0.00 C ATOM 72 NE2 HIS A 5 92.816 0.087 -7.516 1.00 0.00 N ATOM 0 H HIS A 5 90.783 -0.503 -10.844 1.00 0.00 H new ATOM 0 HA HIS A 5 88.627 -0.448 -8.897 1.00 0.00 H new ATOM 0 HB2 HIS A 5 90.205 1.770 -10.281 1.00 0.00 H new ATOM 0 HB3 HIS A 5 89.150 1.995 -8.900 1.00 0.00 H new ATOM 0 HD2 HIS A 5 92.573 0.135 -9.702 1.00 0.00 H new ATOM 0 HE1 HIS A 5 92.159 0.415 -5.509 1.00 0.00 H new ATOM 0 HE2 HIS A 5 93.748 -0.305 -7.385 1.00 0.00 H new ATOM 80 N HIS A 6 87.989 0.293 -11.989 1.00 0.00 N ATOM 81 CA HIS A 6 86.863 0.644 -12.896 1.00 0.00 C ATOM 82 C HIS A 6 85.662 -0.259 -12.590 1.00 0.00 C ATOM 83 O HIS A 6 84.526 0.138 -12.743 1.00 0.00 O ATOM 84 CB HIS A 6 87.283 0.460 -14.357 1.00 0.00 C ATOM 85 CG HIS A 6 88.265 1.534 -14.738 1.00 0.00 C ATOM 86 ND1 HIS A 6 87.868 2.826 -15.058 1.00 0.00 N ATOM 87 CD2 HIS A 6 89.632 1.525 -14.864 1.00 0.00 C ATOM 88 CE1 HIS A 6 88.975 3.530 -15.357 1.00 0.00 C ATOM 89 NE2 HIS A 6 90.079 2.784 -15.254 1.00 0.00 N ATOM 0 H HIS A 6 88.839 -0.030 -12.450 1.00 0.00 H new ATOM 0 HA HIS A 6 86.589 1.687 -12.736 1.00 0.00 H new ATOM 0 HB2 HIS A 6 87.732 -0.523 -14.496 1.00 0.00 H new ATOM 0 HB3 HIS A 6 86.408 0.506 -15.006 1.00 0.00 H new ATOM 0 HD2 HIS A 6 90.266 0.669 -14.687 1.00 0.00 H new ATOM 0 HE1 HIS A 6 88.972 4.571 -15.645 1.00 0.00 H new ATOM 0 HE2 HIS A 6 91.042 3.075 -15.424 1.00 0.00 H new ATOM 97 N ASP A 7 85.902 -1.474 -12.169 1.00 0.00 N ATOM 98 CA ASP A 7 84.769 -2.394 -11.870 1.00 0.00 C ATOM 99 C ASP A 7 84.389 -2.299 -10.392 1.00 0.00 C ATOM 100 O ASP A 7 85.228 -2.355 -9.517 1.00 0.00 O ATOM 101 CB ASP A 7 85.175 -3.834 -12.179 1.00 0.00 C ATOM 102 CG ASP A 7 85.474 -3.980 -13.671 1.00 0.00 C ATOM 103 OD1 ASP A 7 85.061 -3.117 -14.428 1.00 0.00 O ATOM 104 OD2 ASP A 7 86.112 -4.956 -14.030 1.00 0.00 O ATOM 0 H ASP A 7 86.832 -1.866 -12.020 1.00 0.00 H new ATOM 0 HA ASP A 7 83.918 -2.106 -12.487 1.00 0.00 H new ATOM 0 HB2 ASP A 7 86.054 -4.107 -11.594 1.00 0.00 H new ATOM 0 HB3 ASP A 7 84.376 -4.517 -11.891 1.00 0.00 H new ATOM 109 N GLU A 8 83.124 -2.161 -10.112 1.00 0.00 N ATOM 110 CA GLU A 8 82.662 -2.071 -8.700 1.00 0.00 C ATOM 111 C GLU A 8 82.817 -3.429 -8.014 1.00 0.00 C ATOM 112 O GLU A 8 83.036 -3.524 -6.825 1.00 0.00 O ATOM 113 CB GLU A 8 81.191 -1.662 -8.690 1.00 0.00 C ATOM 114 CG GLU A 8 80.752 -1.424 -7.251 1.00 0.00 C ATOM 115 CD GLU A 8 79.433 -0.651 -7.238 1.00 0.00 C ATOM 116 OE1 GLU A 8 79.120 -0.035 -8.243 1.00 0.00 O ATOM 117 OE2 GLU A 8 78.761 -0.689 -6.222 1.00 0.00 O ATOM 0 H GLU A 8 82.382 -2.106 -10.810 1.00 0.00 H new ATOM 0 HA GLU A 8 83.260 -1.333 -8.165 1.00 0.00 H new ATOM 0 HB2 GLU A 8 81.048 -0.758 -9.282 1.00 0.00 H new ATOM 0 HB3 GLU A 8 80.580 -2.441 -9.146 1.00 0.00 H new ATOM 0 HG2 GLU A 8 80.632 -2.376 -6.735 1.00 0.00 H new ATOM 0 HG3 GLU A 8 81.518 -0.865 -6.714 1.00 0.00 H new ATOM 124 N LYS A 9 82.675 -4.477 -8.769 1.00 0.00 N ATOM 125 CA LYS A 9 82.772 -5.859 -8.212 1.00 0.00 C ATOM 126 C LYS A 9 84.161 -6.154 -7.614 1.00 0.00 C ATOM 127 O LYS A 9 84.292 -6.978 -6.730 1.00 0.00 O ATOM 128 CB LYS A 9 82.464 -6.833 -9.356 1.00 0.00 C ATOM 129 CG LYS A 9 82.699 -8.277 -8.914 1.00 0.00 C ATOM 130 CD LYS A 9 83.786 -8.893 -9.793 1.00 0.00 C ATOM 131 CE LYS A 9 85.129 -8.245 -9.455 1.00 0.00 C ATOM 132 NZ LYS A 9 86.228 -9.021 -10.091 1.00 0.00 N ATOM 0 H LYS A 9 82.492 -4.437 -9.772 1.00 0.00 H new ATOM 0 HA LYS A 9 82.060 -5.970 -7.394 1.00 0.00 H new ATOM 0 HB2 LYS A 9 81.430 -6.709 -9.677 1.00 0.00 H new ATOM 0 HB3 LYS A 9 83.094 -6.603 -10.215 1.00 0.00 H new ATOM 0 HG2 LYS A 9 83.000 -8.306 -7.867 1.00 0.00 H new ATOM 0 HG3 LYS A 9 81.776 -8.852 -8.997 1.00 0.00 H new ATOM 0 HD2 LYS A 9 83.836 -9.970 -9.630 1.00 0.00 H new ATOM 0 HD3 LYS A 9 83.549 -8.741 -10.846 1.00 0.00 H new ATOM 0 HE2 LYS A 9 85.146 -7.214 -9.808 1.00 0.00 H new ATOM 0 HE3 LYS A 9 85.269 -8.215 -8.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 86.935 -9.275 -9.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 85.840 -9.887 -10.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 86.678 -8.444 -10.830 1.00 0.00 H new ATOM 146 N THR A 10 85.196 -5.518 -8.083 1.00 0.00 N ATOM 147 CA THR A 10 86.561 -5.810 -7.531 1.00 0.00 C ATOM 148 C THR A 10 86.718 -5.321 -6.079 1.00 0.00 C ATOM 149 O THR A 10 87.496 -5.866 -5.320 1.00 0.00 O ATOM 150 CB THR A 10 87.603 -5.144 -8.425 1.00 0.00 C ATOM 151 OG1 THR A 10 87.239 -3.786 -8.634 1.00 0.00 O ATOM 152 CG2 THR A 10 87.674 -5.880 -9.765 1.00 0.00 C ATOM 0 H THR A 10 85.164 -4.813 -8.819 1.00 0.00 H new ATOM 0 HA THR A 10 86.703 -6.891 -7.519 1.00 0.00 H new ATOM 0 HB THR A 10 88.581 -5.186 -7.946 1.00 0.00 H new ATOM 0 HG1 THR A 10 86.707 -3.469 -7.875 1.00 0.00 H new ATOM 0 HG21 THR A 10 88.418 -5.404 -10.403 1.00 0.00 H new ATOM 0 HG22 THR A 10 87.954 -6.920 -9.595 1.00 0.00 H new ATOM 0 HG23 THR A 10 86.700 -5.842 -10.253 1.00 0.00 H new ATOM 160 N TRP A 11 85.998 -4.317 -5.670 1.00 0.00 N ATOM 161 CA TRP A 11 86.140 -3.845 -4.255 1.00 0.00 C ATOM 162 C TRP A 11 84.796 -3.963 -3.543 1.00 0.00 C ATOM 163 O TRP A 11 84.734 -4.141 -2.342 1.00 0.00 O ATOM 164 CB TRP A 11 86.607 -2.389 -4.233 1.00 0.00 C ATOM 165 CG TRP A 11 86.398 -1.793 -5.581 1.00 0.00 C ATOM 166 CD1 TRP A 11 87.078 -2.139 -6.694 1.00 0.00 C ATOM 167 CD2 TRP A 11 85.456 -0.762 -5.974 1.00 0.00 C ATOM 168 NE1 TRP A 11 86.604 -1.392 -7.756 1.00 0.00 N ATOM 169 CE2 TRP A 11 85.606 -0.516 -7.357 1.00 0.00 C ATOM 170 CE3 TRP A 11 84.500 -0.018 -5.263 1.00 0.00 C ATOM 171 CZ2 TRP A 11 84.821 0.433 -8.018 1.00 0.00 C ATOM 172 CZ3 TRP A 11 83.710 0.932 -5.918 1.00 0.00 C ATOM 173 CH2 TRP A 11 83.871 1.163 -7.293 1.00 0.00 C ATOM 0 H TRP A 11 85.325 -3.805 -6.240 1.00 0.00 H new ATOM 0 HA TRP A 11 86.879 -4.462 -3.744 1.00 0.00 H new ATOM 0 HB2 TRP A 11 86.052 -1.827 -3.482 1.00 0.00 H new ATOM 0 HB3 TRP A 11 87.660 -2.335 -3.957 1.00 0.00 H new ATOM 0 HD1 TRP A 11 87.864 -2.878 -6.746 1.00 0.00 H new ATOM 0 HE1 TRP A 11 86.946 -1.475 -8.714 1.00 0.00 H new ATOM 0 HE3 TRP A 11 84.374 -0.181 -4.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 84.946 0.602 -9.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 82.972 1.491 -5.363 1.00 0.00 H new ATOM 0 HH2 TRP A 11 83.263 1.903 -7.792 1.00 0.00 H new ATOM 184 N ASN A 12 83.718 -3.865 -4.268 1.00 0.00 N ATOM 185 CA ASN A 12 82.382 -3.976 -3.620 1.00 0.00 C ATOM 186 C ASN A 12 82.050 -5.453 -3.380 1.00 0.00 C ATOM 187 O ASN A 12 82.067 -6.255 -4.292 1.00 0.00 O ATOM 188 CB ASN A 12 81.316 -3.362 -4.526 1.00 0.00 C ATOM 189 CG ASN A 12 79.983 -3.322 -3.778 1.00 0.00 C ATOM 190 OD1 ASN A 12 79.957 -3.239 -2.567 1.00 0.00 O ATOM 191 ND2 ASN A 12 78.869 -3.383 -4.452 1.00 0.00 N ATOM 0 H ASN A 12 83.703 -3.714 -5.277 1.00 0.00 H new ATOM 0 HA ASN A 12 82.401 -3.444 -2.669 1.00 0.00 H new ATOM 0 HB2 ASN A 12 81.610 -2.355 -4.823 1.00 0.00 H new ATOM 0 HB3 ASN A 12 81.217 -3.948 -5.440 1.00 0.00 H new ATOM 0 HD21 ASN A 12 77.975 -3.361 -3.962 1.00 0.00 H new ATOM 0 HD22 ASN A 12 78.892 -3.453 -5.469 1.00 0.00 H new ATOM 198 N VAL A 13 81.745 -5.818 -2.160 1.00 0.00 N ATOM 199 CA VAL A 13 81.410 -7.245 -1.873 1.00 0.00 C ATOM 200 C VAL A 13 79.890 -7.409 -1.800 1.00 0.00 C ATOM 201 O VAL A 13 79.383 -8.499 -1.633 1.00 0.00 O ATOM 202 CB VAL A 13 82.028 -7.667 -0.533 1.00 0.00 C ATOM 203 CG1 VAL A 13 81.702 -9.139 -0.259 1.00 0.00 C ATOM 204 CG2 VAL A 13 83.547 -7.487 -0.589 1.00 0.00 C ATOM 0 H VAL A 13 81.714 -5.193 -1.355 1.00 0.00 H new ATOM 0 HA VAL A 13 81.810 -7.872 -2.670 1.00 0.00 H new ATOM 0 HB VAL A 13 81.617 -7.047 0.264 1.00 0.00 H new ATOM 0 HG11 VAL A 13 82.141 -9.438 0.693 1.00 0.00 H new ATOM 0 HG12 VAL A 13 80.621 -9.270 -0.217 1.00 0.00 H new ATOM 0 HG13 VAL A 13 82.112 -9.757 -1.058 1.00 0.00 H new ATOM 0 HG21 VAL A 13 83.984 -7.787 0.363 1.00 0.00 H new ATOM 0 HG22 VAL A 13 83.957 -8.105 -1.388 1.00 0.00 H new ATOM 0 HG23 VAL A 13 83.782 -6.441 -0.783 1.00 0.00 H new ATOM 214 N GLY A 14 79.158 -6.335 -1.923 1.00 0.00 N ATOM 215 CA GLY A 14 77.672 -6.438 -1.856 1.00 0.00 C ATOM 216 C GLY A 14 77.233 -6.455 -0.392 1.00 0.00 C ATOM 217 O GLY A 14 77.862 -5.858 0.458 1.00 0.00 O ATOM 0 H GLY A 14 79.523 -5.393 -2.067 1.00 0.00 H new ATOM 0 HA2 GLY A 14 77.214 -5.596 -2.375 1.00 0.00 H new ATOM 0 HA3 GLY A 14 77.336 -7.345 -2.359 1.00 0.00 H new ATOM 221 N SER A 15 76.158 -7.127 -0.086 1.00 0.00 N ATOM 222 CA SER A 15 75.687 -7.163 1.328 1.00 0.00 C ATOM 223 C SER A 15 76.450 -8.240 2.107 1.00 0.00 C ATOM 224 O SER A 15 76.177 -9.415 1.993 1.00 0.00 O ATOM 225 CB SER A 15 74.192 -7.482 1.347 1.00 0.00 C ATOM 226 OG SER A 15 73.484 -6.441 0.689 1.00 0.00 O ATOM 0 H SER A 15 75.587 -7.651 -0.750 1.00 0.00 H new ATOM 0 HA SER A 15 75.866 -6.195 1.795 1.00 0.00 H new ATOM 0 HB2 SER A 15 74.005 -8.435 0.852 1.00 0.00 H new ATOM 0 HB3 SER A 15 73.842 -7.583 2.375 1.00 0.00 H new ATOM 0 HG SER A 15 73.853 -5.574 0.958 1.00 0.00 H new ATOM 232 N SER A 16 77.400 -7.836 2.907 1.00 0.00 N ATOM 233 CA SER A 16 78.179 -8.826 3.706 1.00 0.00 C ATOM 234 C SER A 16 78.094 -8.461 5.191 1.00 0.00 C ATOM 235 O SER A 16 78.048 -7.300 5.551 1.00 0.00 O ATOM 236 CB SER A 16 79.644 -8.797 3.273 1.00 0.00 C ATOM 237 OG SER A 16 80.360 -9.804 3.973 1.00 0.00 O ATOM 0 H SER A 16 77.671 -6.862 3.042 1.00 0.00 H new ATOM 0 HA SER A 16 77.767 -9.822 3.543 1.00 0.00 H new ATOM 0 HB2 SER A 16 79.721 -8.961 2.198 1.00 0.00 H new ATOM 0 HB3 SER A 16 80.077 -7.818 3.478 1.00 0.00 H new ATOM 0 HG SER A 16 81.300 -9.789 3.696 1.00 0.00 H new ATOM 243 N ASN A 17 78.087 -9.440 6.058 1.00 0.00 N ATOM 244 CA ASN A 17 78.029 -9.141 7.517 1.00 0.00 C ATOM 245 C ASN A 17 79.431 -8.755 7.997 1.00 0.00 C ATOM 246 O ASN A 17 80.421 -9.149 7.416 1.00 0.00 O ATOM 247 CB ASN A 17 77.546 -10.380 8.284 1.00 0.00 C ATOM 248 CG ASN A 17 78.553 -11.520 8.096 1.00 0.00 C ATOM 249 OD1 ASN A 17 79.661 -11.296 7.654 1.00 0.00 O ATOM 250 ND2 ASN A 17 78.215 -12.741 8.415 1.00 0.00 N ATOM 0 H ASN A 17 78.119 -10.431 5.818 1.00 0.00 H new ATOM 0 HA ASN A 17 77.334 -8.321 7.697 1.00 0.00 H new ATOM 0 HB2 ASN A 17 77.438 -10.146 9.343 1.00 0.00 H new ATOM 0 HB3 ASN A 17 76.564 -10.685 7.923 1.00 0.00 H new ATOM 0 HD21 ASN A 17 78.882 -13.503 8.292 1.00 0.00 H new ATOM 0 HD22 ASN A 17 77.285 -12.932 8.787 1.00 0.00 H new ATOM 257 N ARG A 18 79.526 -7.991 9.050 1.00 0.00 N ATOM 258 CA ARG A 18 80.871 -7.585 9.556 1.00 0.00 C ATOM 259 C ARG A 18 81.677 -8.830 9.926 1.00 0.00 C ATOM 260 O ARG A 18 82.876 -8.883 9.734 1.00 0.00 O ATOM 261 CB ARG A 18 80.690 -6.687 10.774 1.00 0.00 C ATOM 262 CG ARG A 18 80.157 -5.341 10.300 1.00 0.00 C ATOM 263 CD ARG A 18 80.104 -4.368 11.470 1.00 0.00 C ATOM 264 NE ARG A 18 79.124 -3.291 11.169 1.00 0.00 N ATOM 265 CZ ARG A 18 78.688 -2.531 12.131 1.00 0.00 C ATOM 266 NH1 ARG A 18 79.079 -2.754 13.356 1.00 0.00 N ATOM 267 NH2 ARG A 18 77.869 -1.553 11.867 1.00 0.00 N ATOM 0 H ARG A 18 78.734 -7.630 9.582 1.00 0.00 H new ATOM 0 HA ARG A 18 81.412 -7.038 8.784 1.00 0.00 H new ATOM 0 HB2 ARG A 18 79.997 -7.142 11.482 1.00 0.00 H new ATOM 0 HB3 ARG A 18 81.639 -6.558 11.295 1.00 0.00 H new ATOM 0 HG2 ARG A 18 80.797 -4.943 9.512 1.00 0.00 H new ATOM 0 HG3 ARG A 18 79.162 -5.464 9.871 1.00 0.00 H new ATOM 0 HD2 ARG A 18 79.817 -4.892 12.381 1.00 0.00 H new ATOM 0 HD3 ARG A 18 81.090 -3.939 11.646 1.00 0.00 H new ATOM 0 HE ARG A 18 78.795 -3.149 10.214 1.00 0.00 H new ATOM 0 HH11 ARG A 18 79.722 -3.520 13.554 1.00 0.00 H new ATOM 0 HH12 ARG A 18 78.741 -2.162 14.115 1.00 0.00 H new ATOM 0 HH21 ARG A 18 77.570 -1.383 10.907 1.00 0.00 H new ATOM 0 HH22 ARG A 18 77.527 -0.957 12.621 1.00 0.00 H new ATOM 281 N ASN A 19 81.027 -9.832 10.446 1.00 0.00 N ATOM 282 CA ASN A 19 81.750 -11.080 10.814 1.00 0.00 C ATOM 283 C ASN A 19 82.417 -11.677 9.567 1.00 0.00 C ATOM 284 O ASN A 19 83.553 -12.110 9.606 1.00 0.00 O ATOM 285 CB ASN A 19 80.748 -12.088 11.383 1.00 0.00 C ATOM 286 CG ASN A 19 80.304 -11.642 12.778 1.00 0.00 C ATOM 287 OD1 ASN A 19 81.192 -11.179 13.612 1.00 0.00 O flip ATOM 288 ND2 ASN A 19 79.137 -11.717 13.112 1.00 0.00 N flip ATOM 0 H ASN A 19 80.024 -9.841 10.632 1.00 0.00 H new ATOM 0 HA ASN A 19 82.514 -10.854 11.558 1.00 0.00 H new ATOM 0 HB2 ASN A 19 79.884 -12.168 10.724 1.00 0.00 H new ATOM 0 HB3 ASN A 19 81.202 -13.078 11.434 1.00 0.00 H new ATOM 0 HD21 ASN A 19 78.442 -12.079 12.459 1.00 0.00 H new ATOM 0 HD22 ASN A 19 78.853 -11.418 14.045 1.00 0.00 H new ATOM 295 N LYS A 20 81.729 -11.698 8.455 1.00 0.00 N ATOM 296 CA LYS A 20 82.340 -12.257 7.214 1.00 0.00 C ATOM 297 C LYS A 20 83.472 -11.337 6.750 1.00 0.00 C ATOM 298 O LYS A 20 84.496 -11.785 6.275 1.00 0.00 O ATOM 299 CB LYS A 20 81.289 -12.361 6.105 1.00 0.00 C ATOM 300 CG LYS A 20 81.916 -13.021 4.874 1.00 0.00 C ATOM 301 CD LYS A 20 80.834 -13.268 3.823 1.00 0.00 C ATOM 302 CE LYS A 20 81.401 -14.125 2.693 1.00 0.00 C ATOM 303 NZ LYS A 20 80.435 -14.158 1.560 1.00 0.00 N ATOM 0 H LYS A 20 80.774 -11.354 8.353 1.00 0.00 H new ATOM 0 HA LYS A 20 82.730 -13.252 7.428 1.00 0.00 H new ATOM 0 HB2 LYS A 20 80.436 -12.945 6.450 1.00 0.00 H new ATOM 0 HB3 LYS A 20 80.914 -11.370 5.849 1.00 0.00 H new ATOM 0 HG2 LYS A 20 82.698 -12.382 4.464 1.00 0.00 H new ATOM 0 HG3 LYS A 20 82.388 -13.963 5.154 1.00 0.00 H new ATOM 0 HD2 LYS A 20 79.979 -13.768 4.278 1.00 0.00 H new ATOM 0 HD3 LYS A 20 80.474 -12.318 3.427 1.00 0.00 H new ATOM 0 HE2 LYS A 20 82.356 -13.719 2.359 1.00 0.00 H new ATOM 0 HE3 LYS A 20 81.592 -15.137 3.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 80.822 -14.742 0.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 79.534 -14.564 1.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 80.274 -13.191 1.213 1.00 0.00 H new ATOM 317 N ALA A 21 83.290 -10.050 6.887 1.00 0.00 N ATOM 318 CA ALA A 21 84.345 -9.090 6.460 1.00 0.00 C ATOM 319 C ALA A 21 85.590 -9.312 7.310 1.00 0.00 C ATOM 320 O ALA A 21 86.706 -9.119 6.865 1.00 0.00 O ATOM 321 CB ALA A 21 83.842 -7.658 6.643 1.00 0.00 C ATOM 0 H ALA A 21 82.451 -9.622 7.279 1.00 0.00 H new ATOM 0 HA ALA A 21 84.585 -9.249 5.409 1.00 0.00 H new ATOM 0 HB1 ALA A 21 84.616 -6.958 6.330 1.00 0.00 H new ATOM 0 HB2 ALA A 21 82.949 -7.506 6.037 1.00 0.00 H new ATOM 0 HB3 ALA A 21 83.602 -7.488 7.693 1.00 0.00 H new ATOM 327 N GLU A 22 85.411 -9.722 8.535 1.00 0.00 N ATOM 328 CA GLU A 22 86.585 -9.973 9.409 1.00 0.00 C ATOM 329 C GLU A 22 87.443 -11.038 8.751 1.00 0.00 C ATOM 330 O GLU A 22 88.631 -10.873 8.583 1.00 0.00 O ATOM 331 CB GLU A 22 86.113 -10.476 10.775 1.00 0.00 C ATOM 332 CG GLU A 22 87.317 -10.633 11.706 1.00 0.00 C ATOM 333 CD GLU A 22 86.900 -11.413 12.955 1.00 0.00 C ATOM 334 OE1 GLU A 22 85.708 -11.510 13.197 1.00 0.00 O ATOM 335 OE2 GLU A 22 87.780 -11.899 13.646 1.00 0.00 O ATOM 0 H GLU A 22 84.503 -9.893 8.966 1.00 0.00 H new ATOM 0 HA GLU A 22 87.154 -9.054 9.547 1.00 0.00 H new ATOM 0 HB2 GLU A 22 85.397 -9.775 11.205 1.00 0.00 H new ATOM 0 HB3 GLU A 22 85.598 -11.431 10.665 1.00 0.00 H new ATOM 0 HG2 GLU A 22 88.123 -11.156 11.190 1.00 0.00 H new ATOM 0 HG3 GLU A 22 87.702 -9.653 11.988 1.00 0.00 H new ATOM 342 N ASN A 23 86.840 -12.122 8.348 1.00 0.00 N ATOM 343 CA ASN A 23 87.614 -13.200 7.677 1.00 0.00 C ATOM 344 C ASN A 23 88.294 -12.609 6.447 1.00 0.00 C ATOM 345 O ASN A 23 89.428 -12.918 6.136 1.00 0.00 O ATOM 346 CB ASN A 23 86.660 -14.318 7.254 1.00 0.00 C ATOM 347 CG ASN A 23 86.147 -15.041 8.502 1.00 0.00 C ATOM 348 OD1 ASN A 23 84.956 -15.113 8.728 1.00 0.00 O ATOM 349 ND2 ASN A 23 87.002 -15.584 9.321 1.00 0.00 N ATOM 0 H ASN A 23 85.843 -12.307 8.455 1.00 0.00 H new ATOM 0 HA ASN A 23 88.363 -13.609 8.355 1.00 0.00 H new ATOM 0 HB2 ASN A 23 85.824 -13.905 6.689 1.00 0.00 H new ATOM 0 HB3 ASN A 23 87.173 -15.021 6.597 1.00 0.00 H new ATOM 0 HD21 ASN A 23 86.672 -16.071 10.154 1.00 0.00 H new ATOM 0 HD22 ASN A 23 88.002 -15.522 9.129 1.00 0.00 H new ATOM 356 N LEU A 24 87.613 -11.741 5.749 1.00 0.00 N ATOM 357 CA LEU A 24 88.224 -11.111 4.552 1.00 0.00 C ATOM 358 C LEU A 24 89.309 -10.129 5.008 1.00 0.00 C ATOM 359 O LEU A 24 90.254 -9.861 4.297 1.00 0.00 O ATOM 360 CB LEU A 24 87.149 -10.364 3.761 1.00 0.00 C ATOM 361 CG LEU A 24 86.210 -11.375 3.099 1.00 0.00 C ATOM 362 CD1 LEU A 24 85.080 -10.635 2.381 1.00 0.00 C ATOM 363 CD2 LEU A 24 86.992 -12.214 2.086 1.00 0.00 C ATOM 0 H LEU A 24 86.660 -11.443 5.959 1.00 0.00 H new ATOM 0 HA LEU A 24 88.666 -11.877 3.914 1.00 0.00 H new ATOM 0 HB2 LEU A 24 86.585 -9.707 4.423 1.00 0.00 H new ATOM 0 HB3 LEU A 24 87.613 -9.732 3.004 1.00 0.00 H new ATOM 0 HG LEU A 24 85.788 -12.027 3.864 1.00 0.00 H new ATOM 0 HD11 LEU A 24 84.413 -11.358 1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 24 84.520 -10.039 3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 24 85.501 -9.980 1.618 1.00 0.00 H new ATOM 0 HD21 LEU A 24 86.322 -12.934 1.615 1.00 0.00 H new ATOM 0 HD22 LEU A 24 87.417 -11.561 1.324 1.00 0.00 H new ATOM 0 HD23 LEU A 24 87.795 -12.746 2.597 1.00 0.00 H new ATOM 375 N LEU A 25 89.177 -9.592 6.192 1.00 0.00 N ATOM 376 CA LEU A 25 90.202 -8.629 6.692 1.00 0.00 C ATOM 377 C LEU A 25 91.203 -9.372 7.583 1.00 0.00 C ATOM 378 O LEU A 25 92.220 -8.832 7.973 1.00 0.00 O ATOM 379 CB LEU A 25 89.511 -7.535 7.512 1.00 0.00 C ATOM 380 CG LEU A 25 88.515 -6.780 6.627 1.00 0.00 C ATOM 381 CD1 LEU A 25 87.504 -6.047 7.506 1.00 0.00 C ATOM 382 CD2 LEU A 25 89.255 -5.750 5.774 1.00 0.00 C ATOM 0 H LEU A 25 88.406 -9.778 6.833 1.00 0.00 H new ATOM 0 HA LEU A 25 90.725 -8.180 5.848 1.00 0.00 H new ATOM 0 HB2 LEU A 25 88.994 -7.977 8.364 1.00 0.00 H new ATOM 0 HB3 LEU A 25 90.253 -6.844 7.913 1.00 0.00 H new ATOM 0 HG LEU A 25 88.004 -7.495 5.983 1.00 0.00 H new ATOM 0 HD11 LEU A 25 86.796 -5.510 6.875 1.00 0.00 H new ATOM 0 HD12 LEU A 25 86.967 -6.768 8.122 1.00 0.00 H new ATOM 0 HD13 LEU A 25 88.027 -5.339 8.149 1.00 0.00 H new ATOM 0 HD21 LEU A 25 88.541 -5.216 5.147 1.00 0.00 H new ATOM 0 HD22 LEU A 25 89.768 -5.041 6.424 1.00 0.00 H new ATOM 0 HD23 LEU A 25 89.984 -6.257 5.142 1.00 0.00 H new ATOM 394 N ARG A 26 90.918 -10.605 7.916 1.00 0.00 N ATOM 395 CA ARG A 26 91.842 -11.387 8.786 1.00 0.00 C ATOM 396 C ARG A 26 92.830 -12.171 7.920 1.00 0.00 C ATOM 397 O ARG A 26 92.444 -12.945 7.068 1.00 0.00 O ATOM 398 CB ARG A 26 91.018 -12.354 9.663 1.00 0.00 C ATOM 399 CG ARG A 26 91.597 -13.772 9.579 1.00 0.00 C ATOM 400 CD ARG A 26 90.936 -14.677 10.625 1.00 0.00 C ATOM 401 NE ARG A 26 91.972 -15.532 11.275 1.00 0.00 N ATOM 402 CZ ARG A 26 91.711 -16.132 12.407 1.00 0.00 C ATOM 403 NH1 ARG A 26 90.553 -15.968 12.986 1.00 0.00 N ATOM 404 NH2 ARG A 26 92.613 -16.896 12.961 1.00 0.00 N ATOM 0 H ARG A 26 90.080 -11.105 7.620 1.00 0.00 H new ATOM 0 HA ARG A 26 92.403 -10.708 9.428 1.00 0.00 H new ATOM 0 HB2 ARG A 26 91.024 -12.012 10.698 1.00 0.00 H new ATOM 0 HB3 ARG A 26 89.979 -12.358 9.334 1.00 0.00 H new ATOM 0 HG2 ARG A 26 91.436 -14.180 8.581 1.00 0.00 H new ATOM 0 HG3 ARG A 26 92.674 -13.743 9.742 1.00 0.00 H new ATOM 0 HD2 ARG A 26 90.427 -14.071 11.375 1.00 0.00 H new ATOM 0 HD3 ARG A 26 90.178 -15.302 10.153 1.00 0.00 H new ATOM 0 HE ARG A 26 92.885 -15.649 10.836 1.00 0.00 H new ATOM 0 HH11 ARG A 26 89.848 -15.370 12.555 1.00 0.00 H new ATOM 0 HH12 ARG A 26 90.353 -16.438 13.869 1.00 0.00 H new ATOM 0 HH21 ARG A 26 93.519 -17.024 12.511 1.00 0.00 H new ATOM 0 HH22 ARG A 26 92.411 -17.365 13.844 1.00 0.00 H new ATOM 418 N GLY A 27 94.101 -11.987 8.140 1.00 0.00 N ATOM 419 CA GLY A 27 95.106 -12.730 7.335 1.00 0.00 C ATOM 420 C GLY A 27 95.136 -12.153 5.928 1.00 0.00 C ATOM 421 O GLY A 27 95.553 -12.799 4.988 1.00 0.00 O ATOM 0 H GLY A 27 94.486 -11.355 8.842 1.00 0.00 H new ATOM 0 HA2 GLY A 27 96.091 -12.651 7.796 1.00 0.00 H new ATOM 0 HA3 GLY A 27 94.854 -13.790 7.302 1.00 0.00 H new ATOM 425 N LYS A 28 94.692 -10.939 5.778 1.00 0.00 N ATOM 426 CA LYS A 28 94.691 -10.316 4.431 1.00 0.00 C ATOM 427 C LYS A 28 95.839 -9.307 4.367 1.00 0.00 C ATOM 428 O LYS A 28 95.977 -8.448 5.216 1.00 0.00 O ATOM 429 CB LYS A 28 93.346 -9.623 4.195 1.00 0.00 C ATOM 430 CG LYS A 28 93.181 -9.279 2.711 1.00 0.00 C ATOM 431 CD LYS A 28 92.731 -10.528 1.945 1.00 0.00 C ATOM 432 CE LYS A 28 92.302 -10.148 0.526 1.00 0.00 C ATOM 433 NZ LYS A 28 91.938 -11.388 -0.215 1.00 0.00 N ATOM 0 H LYS A 28 94.330 -10.352 6.530 1.00 0.00 H new ATOM 0 HA LYS A 28 94.829 -11.070 3.656 1.00 0.00 H new ATOM 0 HB2 LYS A 28 92.532 -10.273 4.518 1.00 0.00 H new ATOM 0 HB3 LYS A 28 93.286 -8.715 4.795 1.00 0.00 H new ATOM 0 HG2 LYS A 28 92.448 -8.482 2.591 1.00 0.00 H new ATOM 0 HG3 LYS A 28 94.123 -8.910 2.305 1.00 0.00 H new ATOM 0 HD2 LYS A 28 93.544 -11.253 1.906 1.00 0.00 H new ATOM 0 HD3 LYS A 28 91.903 -11.006 2.468 1.00 0.00 H new ATOM 0 HE2 LYS A 28 91.453 -9.465 0.559 1.00 0.00 H new ATOM 0 HE3 LYS A 28 93.111 -9.627 0.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 91.645 -11.141 -1.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 92.761 -12.023 -0.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 91.154 -11.867 0.273 1.00 0.00 H new ATOM 447 N ARG A 29 96.680 -9.429 3.381 1.00 0.00 N ATOM 448 CA ARG A 29 97.847 -8.507 3.262 1.00 0.00 C ATOM 449 C ARG A 29 97.376 -7.052 3.189 1.00 0.00 C ATOM 450 O ARG A 29 96.351 -6.745 2.611 1.00 0.00 O ATOM 451 CB ARG A 29 98.635 -8.848 1.993 1.00 0.00 C ATOM 452 CG ARG A 29 99.196 -10.264 2.113 1.00 0.00 C ATOM 453 CD ARG A 29 99.599 -10.793 0.731 1.00 0.00 C ATOM 454 NE ARG A 29 100.691 -9.954 0.154 1.00 0.00 N ATOM 455 CZ ARG A 29 101.408 -10.416 -0.838 1.00 0.00 C ATOM 456 NH1 ARG A 29 101.149 -11.596 -1.329 1.00 0.00 N ATOM 457 NH2 ARG A 29 102.379 -9.701 -1.344 1.00 0.00 N ATOM 0 H ARG A 29 96.611 -10.132 2.646 1.00 0.00 H new ATOM 0 HA ARG A 29 98.482 -8.628 4.140 1.00 0.00 H new ATOM 0 HB2 ARG A 29 97.989 -8.773 1.119 1.00 0.00 H new ATOM 0 HB3 ARG A 29 99.446 -8.134 1.852 1.00 0.00 H new ATOM 0 HG2 ARG A 29 100.060 -10.265 2.777 1.00 0.00 H new ATOM 0 HG3 ARG A 29 98.450 -10.922 2.559 1.00 0.00 H new ATOM 0 HD2 ARG A 29 99.931 -11.828 0.813 1.00 0.00 H new ATOM 0 HD3 ARG A 29 98.736 -10.787 0.066 1.00 0.00 H new ATOM 0 HE ARG A 29 100.877 -9.025 0.532 1.00 0.00 H new ATOM 0 HH11 ARG A 29 100.390 -12.155 -0.940 1.00 0.00 H new ATOM 0 HH12 ARG A 29 101.706 -11.960 -2.102 1.00 0.00 H new ATOM 0 HH21 ARG A 29 102.582 -8.776 -0.965 1.00 0.00 H new ATOM 0 HH22 ARG A 29 102.933 -10.068 -2.117 1.00 0.00 H new ATOM 471 N ASP A 30 98.131 -6.157 3.768 1.00 0.00 N ATOM 472 CA ASP A 30 97.756 -4.711 3.735 1.00 0.00 C ATOM 473 C ASP A 30 97.543 -4.272 2.281 1.00 0.00 C ATOM 474 O ASP A 30 98.079 -4.863 1.363 1.00 0.00 O ATOM 475 CB ASP A 30 98.887 -3.887 4.347 1.00 0.00 C ATOM 476 CG ASP A 30 100.162 -4.103 3.533 1.00 0.00 C ATOM 477 OD1 ASP A 30 100.074 -4.730 2.491 1.00 0.00 O ATOM 478 OD2 ASP A 30 101.205 -3.636 3.962 1.00 0.00 O ATOM 0 H ASP A 30 98.997 -6.366 4.266 1.00 0.00 H new ATOM 0 HA ASP A 30 96.837 -4.558 4.301 1.00 0.00 H new ATOM 0 HB2 ASP A 30 98.620 -2.830 4.354 1.00 0.00 H new ATOM 0 HB3 ASP A 30 99.049 -4.182 5.384 1.00 0.00 H new ATOM 483 N GLY A 31 96.772 -3.239 2.062 1.00 0.00 N ATOM 484 CA GLY A 31 96.533 -2.763 0.668 1.00 0.00 C ATOM 485 C GLY A 31 95.163 -3.240 0.196 1.00 0.00 C ATOM 486 O GLY A 31 94.502 -2.588 -0.589 1.00 0.00 O ATOM 0 H GLY A 31 96.297 -2.704 2.789 1.00 0.00 H new ATOM 0 HA2 GLY A 31 96.584 -1.675 0.630 1.00 0.00 H new ATOM 0 HA3 GLY A 31 97.310 -3.142 0.005 1.00 0.00 H new ATOM 490 N THR A 32 94.730 -4.372 0.676 1.00 0.00 N ATOM 491 CA THR A 32 93.402 -4.899 0.266 1.00 0.00 C ATOM 492 C THR A 32 92.316 -4.216 1.096 1.00 0.00 C ATOM 493 O THR A 32 92.371 -4.207 2.311 1.00 0.00 O ATOM 494 CB THR A 32 93.357 -6.411 0.511 1.00 0.00 C ATOM 495 OG1 THR A 32 94.376 -7.047 -0.248 1.00 0.00 O ATOM 496 CG2 THR A 32 91.992 -6.957 0.093 1.00 0.00 C ATOM 0 H THR A 32 95.242 -4.956 1.337 1.00 0.00 H new ATOM 0 HA THR A 32 93.236 -4.699 -0.793 1.00 0.00 H new ATOM 0 HB THR A 32 93.517 -6.610 1.571 1.00 0.00 H new ATOM 0 HG1 THR A 32 94.564 -7.930 0.132 1.00 0.00 H new ATOM 0 HG21 THR A 32 91.961 -8.032 0.268 1.00 0.00 H new ATOM 0 HG22 THR A 32 91.211 -6.472 0.679 1.00 0.00 H new ATOM 0 HG23 THR A 32 91.829 -6.757 -0.966 1.00 0.00 H new ATOM 504 N PHE A 33 91.322 -3.649 0.461 1.00 0.00 N ATOM 505 CA PHE A 33 90.241 -2.985 1.248 1.00 0.00 C ATOM 506 C PHE A 33 88.887 -3.400 0.680 1.00 0.00 C ATOM 507 O PHE A 33 88.771 -3.757 -0.476 1.00 0.00 O ATOM 508 CB PHE A 33 90.398 -1.455 1.205 1.00 0.00 C ATOM 509 CG PHE A 33 89.600 -0.859 0.073 1.00 0.00 C ATOM 510 CD1 PHE A 33 89.865 -1.212 -1.255 1.00 0.00 C ATOM 511 CD2 PHE A 33 88.588 0.065 0.359 1.00 0.00 C ATOM 512 CE1 PHE A 33 89.115 -0.638 -2.287 1.00 0.00 C ATOM 513 CE2 PHE A 33 87.842 0.633 -0.678 1.00 0.00 C ATOM 514 CZ PHE A 33 88.105 0.282 -1.997 1.00 0.00 C ATOM 0 H PHE A 33 91.213 -3.617 -0.553 1.00 0.00 H new ATOM 0 HA PHE A 33 90.310 -3.297 2.290 1.00 0.00 H new ATOM 0 HB2 PHE A 33 90.069 -1.026 2.151 1.00 0.00 H new ATOM 0 HB3 PHE A 33 91.451 -1.198 1.087 1.00 0.00 H new ATOM 0 HD1 PHE A 33 90.645 -1.924 -1.482 1.00 0.00 H new ATOM 0 HD2 PHE A 33 88.383 0.340 1.383 1.00 0.00 H new ATOM 0 HE1 PHE A 33 89.318 -0.908 -3.313 1.00 0.00 H new ATOM 0 HE2 PHE A 33 87.061 1.345 -0.454 1.00 0.00 H new ATOM 0 HZ PHE A 33 87.528 0.721 -2.798 1.00 0.00 H new ATOM 524 N LEU A 34 87.868 -3.383 1.494 1.00 0.00 N ATOM 525 CA LEU A 34 86.524 -3.810 1.007 1.00 0.00 C ATOM 526 C LEU A 34 85.602 -2.602 0.846 1.00 0.00 C ATOM 527 O LEU A 34 85.906 -1.501 1.258 1.00 0.00 O ATOM 528 CB LEU A 34 85.864 -4.745 2.027 1.00 0.00 C ATOM 529 CG LEU A 34 86.896 -5.656 2.698 1.00 0.00 C ATOM 530 CD1 LEU A 34 86.191 -6.504 3.761 1.00 0.00 C ATOM 531 CD2 LEU A 34 87.529 -6.583 1.665 1.00 0.00 C ATOM 0 H LEU A 34 87.906 -3.093 2.471 1.00 0.00 H new ATOM 0 HA LEU A 34 86.667 -4.313 0.051 1.00 0.00 H new ATOM 0 HB2 LEU A 34 85.350 -4.154 2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 34 85.108 -5.353 1.530 1.00 0.00 H new ATOM 0 HG LEU A 34 87.674 -5.043 3.154 1.00 0.00 H new ATOM 0 HD11 LEU A 34 86.917 -7.157 4.246 1.00 0.00 H new ATOM 0 HD12 LEU A 34 85.737 -5.850 4.506 1.00 0.00 H new ATOM 0 HD13 LEU A 34 85.417 -7.109 3.289 1.00 0.00 H new ATOM 0 HD21 LEU A 34 88.261 -7.226 2.153 1.00 0.00 H new ATOM 0 HD22 LEU A 34 86.755 -7.198 1.205 1.00 0.00 H new ATOM 0 HD23 LEU A 34 88.024 -5.988 0.897 1.00 0.00 H new ATOM 543 N VAL A 35 84.452 -2.832 0.278 1.00 0.00 N ATOM 544 CA VAL A 35 83.452 -1.749 0.109 1.00 0.00 C ATOM 545 C VAL A 35 82.067 -2.386 0.221 1.00 0.00 C ATOM 546 O VAL A 35 81.652 -3.149 -0.630 1.00 0.00 O ATOM 547 CB VAL A 35 83.626 -1.072 -1.251 1.00 0.00 C ATOM 548 CG1 VAL A 35 82.484 -0.077 -1.483 1.00 0.00 C ATOM 549 CG2 VAL A 35 84.960 -0.328 -1.256 1.00 0.00 C ATOM 0 H VAL A 35 84.161 -3.741 -0.081 1.00 0.00 H new ATOM 0 HA VAL A 35 83.581 -0.983 0.873 1.00 0.00 H new ATOM 0 HB VAL A 35 83.611 -1.820 -2.043 1.00 0.00 H new ATOM 0 HG11 VAL A 35 82.611 0.403 -2.453 1.00 0.00 H new ATOM 0 HG12 VAL A 35 81.531 -0.606 -1.462 1.00 0.00 H new ATOM 0 HG13 VAL A 35 82.496 0.680 -0.699 1.00 0.00 H new ATOM 0 HG21 VAL A 35 85.100 0.161 -2.220 1.00 0.00 H new ATOM 0 HG22 VAL A 35 84.961 0.422 -0.465 1.00 0.00 H new ATOM 0 HG23 VAL A 35 85.772 -1.035 -1.087 1.00 0.00 H new ATOM 559 N ARG A 36 81.356 -2.109 1.281 1.00 0.00 N ATOM 560 CA ARG A 36 80.017 -2.734 1.455 1.00 0.00 C ATOM 561 C ARG A 36 79.074 -1.754 2.151 1.00 0.00 C ATOM 562 O ARG A 36 79.452 -0.650 2.485 1.00 0.00 O ATOM 563 CB ARG A 36 80.158 -4.004 2.302 1.00 0.00 C ATOM 564 CG ARG A 36 80.642 -3.649 3.714 1.00 0.00 C ATOM 565 CD ARG A 36 79.869 -4.485 4.733 1.00 0.00 C ATOM 566 NE ARG A 36 80.063 -3.920 6.096 1.00 0.00 N ATOM 567 CZ ARG A 36 79.289 -4.305 7.070 1.00 0.00 C ATOM 568 NH1 ARG A 36 78.383 -5.219 6.856 1.00 0.00 N ATOM 569 NH2 ARG A 36 79.428 -3.786 8.258 1.00 0.00 N ATOM 0 H ARG A 36 81.644 -1.479 2.030 1.00 0.00 H new ATOM 0 HA ARG A 36 79.606 -2.990 0.478 1.00 0.00 H new ATOM 0 HB2 ARG A 36 79.200 -4.521 2.357 1.00 0.00 H new ATOM 0 HB3 ARG A 36 80.863 -4.688 1.830 1.00 0.00 H new ATOM 0 HG2 ARG A 36 81.711 -3.841 3.804 1.00 0.00 H new ATOM 0 HG3 ARG A 36 80.491 -2.587 3.907 1.00 0.00 H new ATOM 0 HD2 ARG A 36 78.809 -4.495 4.480 1.00 0.00 H new ATOM 0 HD3 ARG A 36 80.213 -5.519 4.705 1.00 0.00 H new ATOM 0 HE ARG A 36 80.799 -3.234 6.267 1.00 0.00 H new ATOM 0 HH11 ARG A 36 78.282 -5.630 5.928 1.00 0.00 H new ATOM 0 HH12 ARG A 36 77.775 -5.523 7.617 1.00 0.00 H new ATOM 0 HH21 ARG A 36 80.143 -3.078 8.425 1.00 0.00 H new ATOM 0 HH22 ARG A 36 78.822 -4.088 9.021 1.00 0.00 H new ATOM 583 N GLU A 37 77.856 -2.152 2.394 1.00 0.00 N ATOM 584 CA GLU A 37 76.915 -1.249 3.085 1.00 0.00 C ATOM 585 C GLU A 37 77.010 -1.517 4.576 1.00 0.00 C ATOM 586 O GLU A 37 77.646 -2.461 5.001 1.00 0.00 O ATOM 587 CB GLU A 37 75.497 -1.561 2.618 1.00 0.00 C ATOM 588 CG GLU A 37 75.276 -3.071 2.689 1.00 0.00 C ATOM 589 CD GLU A 37 73.799 -3.381 2.450 1.00 0.00 C ATOM 590 OE1 GLU A 37 72.977 -2.799 3.137 1.00 0.00 O ATOM 591 OE2 GLU A 37 73.517 -4.189 1.583 1.00 0.00 O ATOM 0 H GLU A 37 77.478 -3.065 2.141 1.00 0.00 H new ATOM 0 HA GLU A 37 77.156 -0.208 2.867 1.00 0.00 H new ATOM 0 HB2 GLU A 37 74.771 -1.043 3.245 1.00 0.00 H new ATOM 0 HB3 GLU A 37 75.349 -1.205 1.598 1.00 0.00 H new ATOM 0 HG2 GLU A 37 75.890 -3.575 1.942 1.00 0.00 H new ATOM 0 HG3 GLU A 37 75.585 -3.449 3.663 1.00 0.00 H new ATOM 677 N TYR A 44 77.203 3.486 4.045 1.00 0.00 N ATOM 678 CA TYR A 44 78.244 2.738 3.291 1.00 0.00 C ATOM 679 C TYR A 44 79.573 2.833 4.031 1.00 0.00 C ATOM 680 O TYR A 44 79.855 3.814 4.686 1.00 0.00 O ATOM 681 CB TYR A 44 78.372 3.348 1.893 1.00 0.00 C ATOM 682 CG TYR A 44 77.127 3.040 1.104 1.00 0.00 C ATOM 683 CD1 TYR A 44 75.973 3.809 1.295 1.00 0.00 C ATOM 684 CD2 TYR A 44 77.122 1.982 0.190 1.00 0.00 C ATOM 685 CE1 TYR A 44 74.813 3.520 0.567 1.00 0.00 C ATOM 686 CE2 TYR A 44 75.961 1.692 -0.536 1.00 0.00 C ATOM 687 CZ TYR A 44 74.809 2.461 -0.347 1.00 0.00 C ATOM 688 OH TYR A 44 73.667 2.175 -1.062 1.00 0.00 O ATOM 0 HA TYR A 44 77.965 1.688 3.205 1.00 0.00 H new ATOM 0 HB2 TYR A 44 78.514 4.426 1.965 1.00 0.00 H new ATOM 0 HB3 TYR A 44 79.248 2.944 1.386 1.00 0.00 H new ATOM 0 HD1 TYR A 44 75.978 4.624 2.003 1.00 0.00 H new ATOM 0 HD2 TYR A 44 78.013 1.389 0.044 1.00 0.00 H new ATOM 0 HE1 TYR A 44 73.922 4.114 0.711 1.00 0.00 H new ATOM 0 HE2 TYR A 44 75.955 0.875 -1.242 1.00 0.00 H new ATOM 0 HH TYR A 44 73.834 1.411 -1.653 1.00 0.00 H new ATOM 698 N ALA A 45 80.394 1.825 3.943 1.00 0.00 N ATOM 699 CA ALA A 45 81.700 1.880 4.650 1.00 0.00 C ATOM 700 C ALA A 45 82.697 0.991 3.917 1.00 0.00 C ATOM 701 O ALA A 45 82.347 -0.050 3.398 1.00 0.00 O ATOM 702 CB ALA A 45 81.530 1.392 6.090 1.00 0.00 C ATOM 0 H ALA A 45 80.218 0.970 3.415 1.00 0.00 H new ATOM 0 HA ALA A 45 82.067 2.906 4.667 1.00 0.00 H new ATOM 0 HB1 ALA A 45 82.490 1.434 6.604 1.00 0.00 H new ATOM 0 HB2 ALA A 45 80.813 2.029 6.608 1.00 0.00 H new ATOM 0 HB3 ALA A 45 81.166 0.365 6.085 1.00 0.00 H new ATOM 708 N CYS A 46 83.937 1.381 3.874 1.00 0.00 N ATOM 709 CA CYS A 46 84.943 0.540 3.178 1.00 0.00 C ATOM 710 C CYS A 46 85.931 0.015 4.212 1.00 0.00 C ATOM 711 O CYS A 46 86.500 0.764 4.980 1.00 0.00 O ATOM 712 CB CYS A 46 85.681 1.362 2.114 1.00 0.00 C ATOM 713 SG CYS A 46 84.476 2.269 1.113 1.00 0.00 S ATOM 0 H CYS A 46 84.296 2.241 4.288 1.00 0.00 H new ATOM 0 HA CYS A 46 84.446 -0.292 2.679 1.00 0.00 H new ATOM 0 HB2 CYS A 46 86.372 2.058 2.590 1.00 0.00 H new ATOM 0 HB3 CYS A 46 86.277 0.705 1.480 1.00 0.00 H new ATOM 0 HG CYS A 46 84.945 2.432 -0.089 1.00 0.00 H new ATOM 719 N SER A 47 86.124 -1.268 4.248 1.00 0.00 N ATOM 720 CA SER A 47 87.066 -1.848 5.243 1.00 0.00 C ATOM 721 C SER A 47 88.472 -1.877 4.652 1.00 0.00 C ATOM 722 O SER A 47 88.676 -2.327 3.543 1.00 0.00 O ATOM 723 CB SER A 47 86.635 -3.273 5.582 1.00 0.00 C ATOM 724 OG SER A 47 85.321 -3.247 6.120 1.00 0.00 O ATOM 0 H SER A 47 85.671 -1.943 3.632 1.00 0.00 H new ATOM 0 HA SER A 47 87.059 -1.239 6.147 1.00 0.00 H new ATOM 0 HB2 SER A 47 86.663 -3.897 4.688 1.00 0.00 H new ATOM 0 HB3 SER A 47 87.326 -3.714 6.300 1.00 0.00 H new ATOM 0 HG SER A 47 85.366 -3.082 7.085 1.00 0.00 H new ATOM 730 N VAL A 48 89.444 -1.407 5.376 1.00 0.00 N ATOM 731 CA VAL A 48 90.829 -1.421 4.837 1.00 0.00 C ATOM 732 C VAL A 48 91.749 -2.142 5.818 1.00 0.00 C ATOM 733 O VAL A 48 91.621 -2.014 7.018 1.00 0.00 O ATOM 734 CB VAL A 48 91.305 0.028 4.611 1.00 0.00 C ATOM 735 CG1 VAL A 48 90.237 1.006 5.106 1.00 0.00 C ATOM 736 CG2 VAL A 48 92.609 0.288 5.375 1.00 0.00 C ATOM 0 H VAL A 48 89.342 -1.016 6.312 1.00 0.00 H new ATOM 0 HA VAL A 48 90.851 -1.950 3.884 1.00 0.00 H new ATOM 0 HB VAL A 48 91.477 0.173 3.544 1.00 0.00 H new ATOM 0 HG11 VAL A 48 90.577 2.029 4.944 1.00 0.00 H new ATOM 0 HG12 VAL A 48 89.310 0.841 4.557 1.00 0.00 H new ATOM 0 HG13 VAL A 48 90.062 0.846 6.170 1.00 0.00 H new ATOM 0 HG21 VAL A 48 92.932 1.315 5.205 1.00 0.00 H new ATOM 0 HG22 VAL A 48 92.444 0.131 6.441 1.00 0.00 H new ATOM 0 HG23 VAL A 48 93.380 -0.397 5.023 1.00 0.00 H new ATOM 746 N VAL A 49 92.682 -2.896 5.313 1.00 0.00 N ATOM 747 CA VAL A 49 93.615 -3.624 6.213 1.00 0.00 C ATOM 748 C VAL A 49 95.001 -2.998 6.136 1.00 0.00 C ATOM 749 O VAL A 49 95.562 -2.845 5.069 1.00 0.00 O ATOM 750 CB VAL A 49 93.723 -5.072 5.773 1.00 0.00 C ATOM 751 CG1 VAL A 49 94.518 -5.851 6.818 1.00 0.00 C ATOM 752 CG2 VAL A 49 92.327 -5.669 5.624 1.00 0.00 C ATOM 0 H VAL A 49 92.839 -3.040 4.315 1.00 0.00 H new ATOM 0 HA VAL A 49 93.234 -3.566 7.232 1.00 0.00 H new ATOM 0 HB VAL A 49 94.233 -5.130 4.812 1.00 0.00 H new ATOM 0 HG11 VAL A 49 94.601 -6.893 6.510 1.00 0.00 H new ATOM 0 HG12 VAL A 49 95.515 -5.420 6.912 1.00 0.00 H new ATOM 0 HG13 VAL A 49 94.007 -5.796 7.779 1.00 0.00 H new ATOM 0 HG21 VAL A 49 92.408 -6.709 5.308 1.00 0.00 H new ATOM 0 HG22 VAL A 49 91.806 -5.620 6.580 1.00 0.00 H new ATOM 0 HG23 VAL A 49 91.768 -5.105 4.877 1.00 0.00 H new ATOM 762 N VAL A 50 95.569 -2.644 7.249 1.00 0.00 N ATOM 763 CA VAL A 50 96.924 -2.042 7.211 1.00 0.00 C ATOM 764 C VAL A 50 97.932 -2.993 7.836 1.00 0.00 C ATOM 765 O VAL A 50 97.586 -3.899 8.569 1.00 0.00 O ATOM 766 CB VAL A 50 96.925 -0.716 7.970 1.00 0.00 C ATOM 767 CG1 VAL A 50 96.933 -0.983 9.473 1.00 0.00 C ATOM 768 CG2 VAL A 50 98.169 0.090 7.594 1.00 0.00 C ATOM 0 H VAL A 50 95.158 -2.744 8.177 1.00 0.00 H new ATOM 0 HA VAL A 50 97.202 -1.860 6.173 1.00 0.00 H new ATOM 0 HB VAL A 50 96.030 -0.152 7.705 1.00 0.00 H new ATOM 0 HG11 VAL A 50 96.934 -0.035 10.011 1.00 0.00 H new ATOM 0 HG12 VAL A 50 96.046 -1.554 9.746 1.00 0.00 H new ATOM 0 HG13 VAL A 50 97.825 -1.551 9.737 1.00 0.00 H new ATOM 0 HG21 VAL A 50 98.168 1.035 8.136 1.00 0.00 H new ATOM 0 HG22 VAL A 50 99.063 -0.477 7.855 1.00 0.00 H new ATOM 0 HG23 VAL A 50 98.165 0.287 6.522 1.00 0.00 H new ATOM 778 N ASP A 51 99.181 -2.780 7.546 1.00 0.00 N ATOM 779 CA ASP A 51 100.246 -3.649 8.102 1.00 0.00 C ATOM 780 C ASP A 51 100.296 -3.469 9.617 1.00 0.00 C ATOM 781 O ASP A 51 101.300 -3.075 10.178 1.00 0.00 O ATOM 782 CB ASP A 51 101.588 -3.238 7.490 1.00 0.00 C ATOM 783 CG ASP A 51 102.688 -4.149 8.028 1.00 0.00 C ATOM 784 OD1 ASP A 51 102.375 -5.012 8.831 1.00 0.00 O ATOM 785 OD2 ASP A 51 103.827 -3.969 7.630 1.00 0.00 O ATOM 0 H ASP A 51 99.513 -2.030 6.939 1.00 0.00 H new ATOM 0 HA ASP A 51 100.041 -4.694 7.868 1.00 0.00 H new ATOM 0 HB2 ASP A 51 101.542 -3.307 6.403 1.00 0.00 H new ATOM 0 HB3 ASP A 51 101.809 -2.199 7.734 1.00 0.00 H new ATOM 790 N GLY A 52 99.214 -3.764 10.286 1.00 0.00 N ATOM 791 CA GLY A 52 99.203 -3.619 11.766 1.00 0.00 C ATOM 792 C GLY A 52 97.780 -3.758 12.325 1.00 0.00 C ATOM 793 O GLY A 52 97.590 -4.289 13.401 1.00 0.00 O ATOM 0 H GLY A 52 98.343 -4.097 9.873 1.00 0.00 H new ATOM 0 HA2 GLY A 52 99.848 -4.375 12.213 1.00 0.00 H new ATOM 0 HA3 GLY A 52 99.612 -2.647 12.042 1.00 0.00 H new ATOM 797 N GLU A 53 96.775 -3.277 11.637 1.00 0.00 N ATOM 798 CA GLU A 53 95.395 -3.397 12.202 1.00 0.00 C ATOM 799 C GLU A 53 94.315 -3.345 11.119 1.00 0.00 C ATOM 800 O GLU A 53 94.388 -2.587 10.176 1.00 0.00 O ATOM 801 CB GLU A 53 95.152 -2.237 13.164 1.00 0.00 C ATOM 802 CG GLU A 53 93.744 -2.359 13.742 1.00 0.00 C ATOM 803 CD GLU A 53 93.480 -1.192 14.697 1.00 0.00 C ATOM 804 OE1 GLU A 53 94.440 -0.567 15.117 1.00 0.00 O ATOM 805 OE2 GLU A 53 92.321 -0.945 14.994 1.00 0.00 O ATOM 0 H GLU A 53 96.845 -2.817 10.730 1.00 0.00 H new ATOM 0 HA GLU A 53 95.331 -4.362 12.705 1.00 0.00 H new ATOM 0 HB2 GLU A 53 95.891 -2.251 13.965 1.00 0.00 H new ATOM 0 HB3 GLU A 53 95.264 -1.286 12.643 1.00 0.00 H new ATOM 0 HG2 GLU A 53 93.008 -2.358 12.938 1.00 0.00 H new ATOM 0 HG3 GLU A 53 93.637 -3.306 14.271 1.00 0.00 H new ATOM 812 N VAL A 54 93.275 -4.112 11.290 1.00 0.00 N ATOM 813 CA VAL A 54 92.155 -4.078 10.329 1.00 0.00 C ATOM 814 C VAL A 54 91.313 -2.854 10.675 1.00 0.00 C ATOM 815 O VAL A 54 91.045 -2.594 11.829 1.00 0.00 O ATOM 816 CB VAL A 54 91.335 -5.347 10.503 1.00 0.00 C ATOM 817 CG1 VAL A 54 92.207 -6.554 10.168 1.00 0.00 C ATOM 818 CG2 VAL A 54 90.857 -5.445 11.952 1.00 0.00 C ATOM 0 H VAL A 54 93.159 -4.765 12.065 1.00 0.00 H new ATOM 0 HA VAL A 54 92.501 -4.021 9.297 1.00 0.00 H new ATOM 0 HB VAL A 54 90.471 -5.325 9.839 1.00 0.00 H new ATOM 0 HG11 VAL A 54 91.626 -7.468 10.290 1.00 0.00 H new ATOM 0 HG12 VAL A 54 92.552 -6.479 9.137 1.00 0.00 H new ATOM 0 HG13 VAL A 54 93.067 -6.579 10.837 1.00 0.00 H new ATOM 0 HG21 VAL A 54 90.269 -6.354 12.080 1.00 0.00 H new ATOM 0 HG22 VAL A 54 91.719 -5.474 12.618 1.00 0.00 H new ATOM 0 HG23 VAL A 54 90.242 -4.578 12.192 1.00 0.00 H new ATOM 828 N LYS A 55 90.922 -2.078 9.710 1.00 0.00 N ATOM 829 CA LYS A 55 90.137 -0.859 10.042 1.00 0.00 C ATOM 830 C LYS A 55 88.816 -0.819 9.290 1.00 0.00 C ATOM 831 O LYS A 55 88.626 -1.474 8.286 1.00 0.00 O ATOM 832 CB LYS A 55 90.948 0.374 9.668 1.00 0.00 C ATOM 833 CG LYS A 55 92.252 0.383 10.462 1.00 0.00 C ATOM 834 CD LYS A 55 93.427 0.187 9.506 1.00 0.00 C ATOM 835 CE LYS A 55 93.772 1.526 8.859 1.00 0.00 C ATOM 836 NZ LYS A 55 92.579 2.048 8.131 1.00 0.00 N ATOM 0 H LYS A 55 91.107 -2.229 8.718 1.00 0.00 H new ATOM 0 HA LYS A 55 89.924 -0.877 11.111 1.00 0.00 H new ATOM 0 HB2 LYS A 55 91.160 0.373 8.599 1.00 0.00 H new ATOM 0 HB3 LYS A 55 90.375 1.277 9.878 1.00 0.00 H new ATOM 0 HG2 LYS A 55 92.358 1.326 10.998 1.00 0.00 H new ATOM 0 HG3 LYS A 55 92.241 -0.410 11.210 1.00 0.00 H new ATOM 0 HD2 LYS A 55 94.290 -0.204 10.046 1.00 0.00 H new ATOM 0 HD3 LYS A 55 93.171 -0.546 8.741 1.00 0.00 H new ATOM 0 HE2 LYS A 55 94.088 2.239 9.620 1.00 0.00 H new ATOM 0 HE3 LYS A 55 94.608 1.405 8.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 92.885 2.728 7.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 92.077 1.259 7.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 91.942 2.522 8.803 1.00 0.00 H new ATOM 850 N HIS A 56 87.906 -0.023 9.779 1.00 0.00 N ATOM 851 CA HIS A 56 86.587 0.108 9.117 1.00 0.00 C ATOM 852 C HIS A 56 86.359 1.568 8.726 1.00 0.00 C ATOM 853 O HIS A 56 85.984 2.391 9.540 1.00 0.00 O ATOM 854 CB HIS A 56 85.485 -0.341 10.076 1.00 0.00 C ATOM 855 CG HIS A 56 85.415 -1.842 10.093 1.00 0.00 C ATOM 856 ND1 HIS A 56 85.069 -2.747 9.124 1.00 0.00 N flip ATOM 857 CD2 HIS A 56 85.721 -2.591 11.219 1.00 0.00 C flip ATOM 858 CE1 HIS A 56 85.153 -4.038 9.633 1.00 0.00 C flip ATOM 859 NE2 HIS A 56 85.550 -3.890 10.898 1.00 0.00 N flip ATOM 0 H HIS A 56 88.025 0.546 10.617 1.00 0.00 H new ATOM 0 HA HIS A 56 86.565 -0.517 8.224 1.00 0.00 H new ATOM 0 HB2 HIS A 56 85.686 0.036 11.079 1.00 0.00 H new ATOM 0 HB3 HIS A 56 84.526 0.075 9.765 1.00 0.00 H new ATOM 0 HD2 HIS A 56 86.038 -2.205 12.177 1.00 0.00 H new ATOM 0 HE1 HIS A 56 84.942 -4.962 9.115 1.00 0.00 H new ATOM 0 HE2 HIS A 56 85.705 -4.664 11.544 1.00 0.00 H new ATOM 867 N CYS A 57 86.563 1.891 7.480 1.00 0.00 N ATOM 868 CA CYS A 57 86.335 3.288 7.034 1.00 0.00 C ATOM 869 C CYS A 57 84.861 3.449 6.692 1.00 0.00 C ATOM 870 O CYS A 57 84.285 2.655 5.976 1.00 0.00 O ATOM 871 CB CYS A 57 87.190 3.593 5.808 1.00 0.00 C ATOM 872 SG CYS A 57 86.943 5.320 5.331 1.00 0.00 S ATOM 0 H CYS A 57 86.877 1.247 6.754 1.00 0.00 H new ATOM 0 HA CYS A 57 86.613 3.981 7.828 1.00 0.00 H new ATOM 0 HB2 CYS A 57 88.242 3.410 6.028 1.00 0.00 H new ATOM 0 HB3 CYS A 57 86.917 2.933 4.985 1.00 0.00 H new ATOM 0 HG CYS A 57 87.670 5.590 4.288 1.00 0.00 H new ATOM 878 N VAL A 58 84.238 4.454 7.226 1.00 0.00 N ATOM 879 CA VAL A 58 82.792 4.661 6.971 1.00 0.00 C ATOM 880 C VAL A 58 82.569 5.656 5.824 1.00 0.00 C ATOM 881 O VAL A 58 83.191 6.696 5.754 1.00 0.00 O ATOM 882 CB VAL A 58 82.148 5.205 8.250 1.00 0.00 C ATOM 883 CG1 VAL A 58 80.860 5.953 7.912 1.00 0.00 C ATOM 884 CG2 VAL A 58 81.816 4.044 9.192 1.00 0.00 C ATOM 0 H VAL A 58 84.672 5.148 7.834 1.00 0.00 H new ATOM 0 HA VAL A 58 82.341 3.710 6.685 1.00 0.00 H new ATOM 0 HB VAL A 58 82.848 5.887 8.733 1.00 0.00 H new ATOM 0 HG11 VAL A 58 80.410 6.336 8.828 1.00 0.00 H new ATOM 0 HG12 VAL A 58 81.087 6.784 7.244 1.00 0.00 H new ATOM 0 HG13 VAL A 58 80.163 5.274 7.422 1.00 0.00 H new ATOM 0 HG21 VAL A 58 81.358 4.433 10.101 1.00 0.00 H new ATOM 0 HG22 VAL A 58 81.123 3.363 8.699 1.00 0.00 H new ATOM 0 HG23 VAL A 58 82.731 3.509 9.447 1.00 0.00 H new ATOM 894 N ILE A 59 81.662 5.338 4.941 1.00 0.00 N ATOM 895 CA ILE A 59 81.351 6.253 3.811 1.00 0.00 C ATOM 896 C ILE A 59 79.990 6.900 4.096 1.00 0.00 C ATOM 897 O ILE A 59 79.023 6.223 4.386 1.00 0.00 O ATOM 898 CB ILE A 59 81.289 5.453 2.504 1.00 0.00 C ATOM 899 CG1 ILE A 59 82.637 4.764 2.243 1.00 0.00 C ATOM 900 CG2 ILE A 59 80.955 6.395 1.344 1.00 0.00 C ATOM 901 CD1 ILE A 59 83.750 5.807 2.131 1.00 0.00 C ATOM 0 H ILE A 59 81.119 4.475 4.956 1.00 0.00 H new ATOM 0 HA ILE A 59 82.120 7.019 3.711 1.00 0.00 H new ATOM 0 HB ILE A 59 80.514 4.691 2.587 1.00 0.00 H new ATOM 0 HG12 ILE A 59 82.861 4.068 3.052 1.00 0.00 H new ATOM 0 HG13 ILE A 59 82.583 4.179 1.325 1.00 0.00 H new ATOM 0 HG21 ILE A 59 80.911 5.827 0.415 1.00 0.00 H new ATOM 0 HG22 ILE A 59 79.990 6.868 1.526 1.00 0.00 H new ATOM 0 HG23 ILE A 59 81.726 7.161 1.264 1.00 0.00 H new ATOM 0 HD11 ILE A 59 84.700 5.306 1.946 1.00 0.00 H new ATOM 0 HD12 ILE A 59 83.531 6.486 1.307 1.00 0.00 H new ATOM 0 HD13 ILE A 59 83.813 6.373 3.060 1.00 0.00 H new ATOM 913 N ASN A 60 79.906 8.201 4.038 1.00 0.00 N ATOM 914 CA ASN A 60 78.607 8.873 4.332 1.00 0.00 C ATOM 915 C ASN A 60 78.091 9.596 3.092 1.00 0.00 C ATOM 916 O ASN A 60 78.695 10.537 2.610 1.00 0.00 O ATOM 917 CB ASN A 60 78.807 9.889 5.456 1.00 0.00 C ATOM 918 CG ASN A 60 79.051 9.151 6.774 1.00 0.00 C ATOM 919 OD1 ASN A 60 78.762 7.882 6.863 1.00 0.00 O flip ATOM 920 ND2 ASN A 60 79.512 9.736 7.732 1.00 0.00 N flip ATOM 0 H ASN A 60 80.676 8.826 3.801 1.00 0.00 H new ATOM 0 HA ASN A 60 77.880 8.119 4.633 1.00 0.00 H new ATOM 0 HB2 ASN A 60 79.653 10.537 5.228 1.00 0.00 H new ATOM 0 HB3 ASN A 60 77.929 10.529 5.542 1.00 0.00 H new ATOM 0 HD21 ASN A 60 79.738 10.728 7.663 1.00 0.00 H new ATOM 0 HD22 ASN A 60 79.673 9.236 8.606 1.00 0.00 H new ATOM 1167 N SER A 77 81.648 10.799 -7.297 1.00 0.00 N ATOM 1168 CA SER A 77 81.380 9.341 -7.401 1.00 0.00 C ATOM 1169 C SER A 77 82.255 8.536 -6.439 1.00 0.00 C ATOM 1170 O SER A 77 83.332 8.945 -6.055 1.00 0.00 O ATOM 1171 CB SER A 77 81.670 8.901 -8.833 1.00 0.00 C ATOM 1172 OG SER A 77 80.730 9.511 -9.707 1.00 0.00 O ATOM 0 HA SER A 77 80.339 9.157 -7.136 1.00 0.00 H new ATOM 0 HB2 SER A 77 82.684 9.184 -9.115 1.00 0.00 H new ATOM 0 HB3 SER A 77 81.608 7.816 -8.913 1.00 0.00 H new ATOM 0 HG SER A 77 80.475 10.388 -9.352 1.00 0.00 H new ATOM 1178 N LEU A 78 81.794 7.374 -6.075 1.00 0.00 N ATOM 1179 CA LEU A 78 82.571 6.495 -5.167 1.00 0.00 C ATOM 1180 C LEU A 78 83.849 6.049 -5.871 1.00 0.00 C ATOM 1181 O LEU A 78 84.872 5.832 -5.253 1.00 0.00 O ATOM 1182 CB LEU A 78 81.717 5.276 -4.827 1.00 0.00 C ATOM 1183 CG LEU A 78 80.593 5.705 -3.894 1.00 0.00 C ATOM 1184 CD1 LEU A 78 79.641 4.531 -3.668 1.00 0.00 C ATOM 1185 CD2 LEU A 78 81.198 6.142 -2.558 1.00 0.00 C ATOM 0 H LEU A 78 80.897 6.992 -6.374 1.00 0.00 H new ATOM 0 HA LEU A 78 82.834 7.030 -4.254 1.00 0.00 H new ATOM 0 HB2 LEU A 78 81.305 4.839 -5.737 1.00 0.00 H new ATOM 0 HB3 LEU A 78 82.328 4.508 -4.353 1.00 0.00 H new ATOM 0 HG LEU A 78 80.040 6.533 -4.336 1.00 0.00 H new ATOM 0 HD11 LEU A 78 78.836 4.838 -3.000 1.00 0.00 H new ATOM 0 HD12 LEU A 78 79.220 4.215 -4.622 1.00 0.00 H new ATOM 0 HD13 LEU A 78 80.187 3.701 -3.220 1.00 0.00 H new ATOM 0 HD21 LEU A 78 80.401 6.452 -1.882 1.00 0.00 H new ATOM 0 HD22 LEU A 78 81.745 5.309 -2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 78 81.879 6.977 -2.723 1.00 0.00 H new ATOM 1197 N LYS A 79 83.795 5.908 -7.168 1.00 0.00 N ATOM 1198 CA LYS A 79 85.005 5.477 -7.912 1.00 0.00 C ATOM 1199 C LYS A 79 86.116 6.509 -7.695 1.00 0.00 C ATOM 1200 O LYS A 79 87.264 6.163 -7.506 1.00 0.00 O ATOM 1201 CB LYS A 79 84.681 5.389 -9.402 1.00 0.00 C ATOM 1202 CG LYS A 79 83.726 4.224 -9.662 1.00 0.00 C ATOM 1203 CD LYS A 79 83.320 4.229 -11.139 1.00 0.00 C ATOM 1204 CE LYS A 79 84.456 3.664 -11.996 1.00 0.00 C ATOM 1205 NZ LYS A 79 84.011 3.614 -13.415 1.00 0.00 N ATOM 0 H LYS A 79 82.967 6.073 -7.740 1.00 0.00 H new ATOM 0 HA LYS A 79 85.330 4.500 -7.554 1.00 0.00 H new ATOM 0 HB2 LYS A 79 84.230 6.322 -9.740 1.00 0.00 H new ATOM 0 HB3 LYS A 79 85.598 5.253 -9.975 1.00 0.00 H new ATOM 0 HG2 LYS A 79 84.207 3.280 -9.407 1.00 0.00 H new ATOM 0 HG3 LYS A 79 82.843 4.313 -9.029 1.00 0.00 H new ATOM 0 HD2 LYS A 79 82.417 3.634 -11.279 1.00 0.00 H new ATOM 0 HD3 LYS A 79 83.084 5.245 -11.457 1.00 0.00 H new ATOM 0 HE2 LYS A 79 85.345 4.287 -11.902 1.00 0.00 H new ATOM 0 HE3 LYS A 79 84.728 2.666 -11.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 84.777 3.231 -14.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 83.173 3.003 -13.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 83.771 4.573 -13.738 1.00 0.00 H new ATOM 1219 N GLU A 80 85.786 7.774 -7.718 1.00 0.00 N ATOM 1220 CA GLU A 80 86.831 8.815 -7.513 1.00 0.00 C ATOM 1221 C GLU A 80 87.424 8.661 -6.115 1.00 0.00 C ATOM 1222 O GLU A 80 88.623 8.731 -5.926 1.00 0.00 O ATOM 1223 CB GLU A 80 86.208 10.206 -7.648 1.00 0.00 C ATOM 1224 CG GLU A 80 85.808 10.431 -9.103 1.00 0.00 C ATOM 1225 CD GLU A 80 85.005 11.728 -9.228 1.00 0.00 C ATOM 1226 OE1 GLU A 80 84.740 12.341 -8.207 1.00 0.00 O ATOM 1227 OE2 GLU A 80 84.665 12.084 -10.344 1.00 0.00 O ATOM 0 H GLU A 80 84.842 8.128 -7.869 1.00 0.00 H new ATOM 0 HA GLU A 80 87.613 8.696 -8.263 1.00 0.00 H new ATOM 0 HB2 GLU A 80 85.336 10.293 -7.000 1.00 0.00 H new ATOM 0 HB3 GLU A 80 86.918 10.969 -7.330 1.00 0.00 H new ATOM 0 HG2 GLU A 80 86.698 10.482 -9.730 1.00 0.00 H new ATOM 0 HG3 GLU A 80 85.214 9.590 -9.460 1.00 0.00 H new ATOM 1234 N LEU A 81 86.592 8.453 -5.130 1.00 0.00 N ATOM 1235 CA LEU A 81 87.109 8.294 -3.742 1.00 0.00 C ATOM 1236 C LEU A 81 88.035 7.078 -3.667 1.00 0.00 C ATOM 1237 O LEU A 81 89.085 7.125 -3.059 1.00 0.00 O ATOM 1238 CB LEU A 81 85.939 8.103 -2.768 1.00 0.00 C ATOM 1239 CG LEU A 81 86.476 8.033 -1.328 1.00 0.00 C ATOM 1240 CD1 LEU A 81 85.337 8.273 -0.332 1.00 0.00 C ATOM 1241 CD2 LEU A 81 87.089 6.653 -1.068 1.00 0.00 C ATOM 0 H LEU A 81 85.579 8.387 -5.227 1.00 0.00 H new ATOM 0 HA LEU A 81 87.666 9.190 -3.468 1.00 0.00 H new ATOM 0 HB2 LEU A 81 85.233 8.928 -2.864 1.00 0.00 H new ATOM 0 HB3 LEU A 81 85.396 7.189 -3.010 1.00 0.00 H new ATOM 0 HG LEU A 81 87.238 8.802 -1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 81 85.726 8.222 0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 81 84.904 9.258 -0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 81 84.570 7.510 -0.466 1.00 0.00 H new ATOM 0 HD21 LEU A 81 87.468 6.610 -0.047 1.00 0.00 H new ATOM 0 HD22 LEU A 81 86.328 5.885 -1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 81 87.908 6.481 -1.766 1.00 0.00 H new ATOM 1253 N VAL A 82 87.652 5.987 -4.274 1.00 0.00 N ATOM 1254 CA VAL A 82 88.514 4.770 -4.226 1.00 0.00 C ATOM 1255 C VAL A 82 89.760 4.993 -5.086 1.00 0.00 C ATOM 1256 O VAL A 82 90.846 4.562 -4.744 1.00 0.00 O ATOM 1257 CB VAL A 82 87.727 3.565 -4.744 1.00 0.00 C ATOM 1258 CG1 VAL A 82 88.613 2.320 -4.719 1.00 0.00 C ATOM 1259 CG2 VAL A 82 86.511 3.336 -3.843 1.00 0.00 C ATOM 0 H VAL A 82 86.783 5.885 -4.799 1.00 0.00 H new ATOM 0 HA VAL A 82 88.820 4.579 -3.198 1.00 0.00 H new ATOM 0 HB VAL A 82 87.402 3.756 -5.767 1.00 0.00 H new ATOM 0 HG11 VAL A 82 88.048 1.464 -5.089 1.00 0.00 H new ATOM 0 HG12 VAL A 82 89.485 2.481 -5.353 1.00 0.00 H new ATOM 0 HG13 VAL A 82 88.939 2.126 -3.697 1.00 0.00 H new ATOM 0 HG21 VAL A 82 85.945 2.478 -4.207 1.00 0.00 H new ATOM 0 HG22 VAL A 82 86.845 3.145 -2.823 1.00 0.00 H new ATOM 0 HG23 VAL A 82 85.876 4.222 -3.857 1.00 0.00 H new ATOM 1269 N LEU A 83 89.617 5.664 -6.197 1.00 0.00 N ATOM 1270 CA LEU A 83 90.795 5.917 -7.069 1.00 0.00 C ATOM 1271 C LEU A 83 91.766 6.870 -6.360 1.00 0.00 C ATOM 1272 O LEU A 83 92.964 6.689 -6.391 1.00 0.00 O ATOM 1273 CB LEU A 83 90.337 6.563 -8.382 1.00 0.00 C ATOM 1274 CG LEU A 83 89.579 5.546 -9.235 1.00 0.00 C ATOM 1275 CD1 LEU A 83 88.990 6.268 -10.449 1.00 0.00 C ATOM 1276 CD2 LEU A 83 90.540 4.448 -9.703 1.00 0.00 C ATOM 0 H LEU A 83 88.735 6.047 -6.537 1.00 0.00 H new ATOM 0 HA LEU A 83 91.292 4.970 -7.278 1.00 0.00 H new ATOM 0 HB2 LEU A 83 89.697 7.420 -8.170 1.00 0.00 H new ATOM 0 HB3 LEU A 83 91.200 6.938 -8.932 1.00 0.00 H new ATOM 0 HG LEU A 83 88.780 5.091 -8.650 1.00 0.00 H new ATOM 0 HD11 LEU A 83 88.446 5.555 -11.068 1.00 0.00 H new ATOM 0 HD12 LEU A 83 88.309 7.050 -10.112 1.00 0.00 H new ATOM 0 HD13 LEU A 83 89.795 6.714 -11.033 1.00 0.00 H new ATOM 0 HD21 LEU A 83 89.997 3.724 -10.311 1.00 0.00 H new ATOM 0 HD22 LEU A 83 91.340 4.893 -10.296 1.00 0.00 H new ATOM 0 HD23 LEU A 83 90.968 3.945 -8.836 1.00 0.00 H new ATOM 1288 N HIS A 84 91.255 7.897 -5.734 1.00 0.00 N ATOM 1289 CA HIS A 84 92.151 8.873 -5.041 1.00 0.00 C ATOM 1290 C HIS A 84 92.807 8.235 -3.810 1.00 0.00 C ATOM 1291 O HIS A 84 93.951 8.497 -3.501 1.00 0.00 O ATOM 1292 CB HIS A 84 91.324 10.082 -4.591 1.00 0.00 C ATOM 1293 CG HIS A 84 90.826 10.828 -5.797 1.00 0.00 C ATOM 1294 ND1 HIS A 84 89.561 11.171 -6.206 1.00 0.00 N flip ATOM 1295 CD2 HIS A 84 91.683 11.312 -6.773 1.00 0.00 C flip ATOM 1296 CE1 HIS A 84 89.628 11.850 -7.418 1.00 0.00 C flip ATOM 1297 NE2 HIS A 84 90.929 11.907 -7.715 1.00 0.00 N flip ATOM 0 H HIS A 84 90.258 8.103 -5.672 1.00 0.00 H new ATOM 0 HA HIS A 84 92.932 9.180 -5.736 1.00 0.00 H new ATOM 0 HB2 HIS A 84 90.483 9.753 -3.981 1.00 0.00 H new ATOM 0 HB3 HIS A 84 91.931 10.740 -3.969 1.00 0.00 H new ATOM 0 HD1 HIS A 84 88.702 10.960 -5.698 1.00 0.00 H new ATOM 0 HD2 HIS A 84 92.760 11.227 -6.777 1.00 0.00 H new ATOM 0 HE1 HIS A 84 88.805 12.246 -7.995 1.00 0.00 H new ATOM 1305 N TYR A 85 92.081 7.424 -3.096 1.00 0.00 N ATOM 1306 CA TYR A 85 92.634 6.790 -1.864 1.00 0.00 C ATOM 1307 C TYR A 85 93.665 5.703 -2.194 1.00 0.00 C ATOM 1308 O TYR A 85 94.439 5.303 -1.344 1.00 0.00 O ATOM 1309 CB TYR A 85 91.489 6.184 -1.070 1.00 0.00 C ATOM 1310 CG TYR A 85 90.790 7.263 -0.279 1.00 0.00 C ATOM 1311 CD1 TYR A 85 90.341 8.425 -0.920 1.00 0.00 C ATOM 1312 CD2 TYR A 85 90.584 7.096 1.095 1.00 0.00 C ATOM 1313 CE1 TYR A 85 89.689 9.420 -0.186 1.00 0.00 C ATOM 1314 CE2 TYR A 85 89.932 8.094 1.829 1.00 0.00 C ATOM 1315 CZ TYR A 85 89.485 9.255 1.186 1.00 0.00 C ATOM 1316 OH TYR A 85 88.841 10.235 1.905 1.00 0.00 O ATOM 0 H TYR A 85 91.118 7.169 -3.314 1.00 0.00 H new ATOM 0 HA TYR A 85 93.143 7.558 -1.281 1.00 0.00 H new ATOM 0 HB2 TYR A 85 90.783 5.699 -1.744 1.00 0.00 H new ATOM 0 HB3 TYR A 85 91.868 5.414 -0.397 1.00 0.00 H new ATOM 0 HD1 TYR A 85 90.499 8.552 -1.981 1.00 0.00 H new ATOM 0 HD2 TYR A 85 90.927 6.199 1.588 1.00 0.00 H new ATOM 0 HE1 TYR A 85 89.343 10.316 -0.680 1.00 0.00 H new ATOM 0 HE2 TYR A 85 89.774 7.969 2.890 1.00 0.00 H new ATOM 0 HH TYR A 85 88.779 9.964 2.845 1.00 0.00 H new ATOM 1326 N GLN A 86 93.697 5.206 -3.398 1.00 0.00 N ATOM 1327 CA GLN A 86 94.710 4.159 -3.704 1.00 0.00 C ATOM 1328 C GLN A 86 96.059 4.841 -3.891 1.00 0.00 C ATOM 1329 O GLN A 86 97.102 4.247 -3.716 1.00 0.00 O ATOM 1330 CB GLN A 86 94.342 3.393 -4.980 1.00 0.00 C ATOM 1331 CG GLN A 86 94.221 4.358 -6.158 1.00 0.00 C ATOM 1332 CD GLN A 86 94.925 3.766 -7.384 1.00 0.00 C ATOM 1333 OE1 GLN A 86 96.017 3.072 -7.221 1.00 0.00 O flip ATOM 1334 NE2 GLN A 86 94.476 3.939 -8.500 1.00 0.00 N flip ATOM 0 H GLN A 86 93.082 5.471 -4.167 1.00 0.00 H new ATOM 0 HA GLN A 86 94.748 3.444 -2.882 1.00 0.00 H new ATOM 0 HB2 GLN A 86 95.102 2.641 -5.193 1.00 0.00 H new ATOM 0 HB3 GLN A 86 93.400 2.863 -4.836 1.00 0.00 H new ATOM 0 HG2 GLN A 86 93.171 4.542 -6.383 1.00 0.00 H new ATOM 0 HG3 GLN A 86 94.665 5.319 -5.900 1.00 0.00 H new ATOM 0 HE21 GLN A 86 93.622 4.482 -8.628 1.00 0.00 H new ATOM 0 HE22 GLN A 86 94.953 3.541 -9.309 1.00 0.00 H new ATOM 1343 N HIS A 87 96.040 6.093 -4.249 1.00 0.00 N ATOM 1344 CA HIS A 87 97.313 6.830 -4.457 1.00 0.00 C ATOM 1345 C HIS A 87 97.666 7.612 -3.190 1.00 0.00 C ATOM 1346 O HIS A 87 98.780 8.062 -3.016 1.00 0.00 O ATOM 1347 CB HIS A 87 97.142 7.795 -5.631 1.00 0.00 C ATOM 1348 CG HIS A 87 98.457 8.453 -5.946 1.00 0.00 C ATOM 1349 ND1 HIS A 87 99.514 7.751 -6.504 1.00 0.00 N ATOM 1350 CD2 HIS A 87 98.898 9.744 -5.800 1.00 0.00 C ATOM 1351 CE1 HIS A 87 100.530 8.619 -6.675 1.00 0.00 C ATOM 1352 NE2 HIS A 87 100.208 9.847 -6.263 1.00 0.00 N ATOM 0 H HIS A 87 95.193 6.639 -4.407 1.00 0.00 H new ATOM 0 HA HIS A 87 98.117 6.127 -4.675 1.00 0.00 H new ATOM 0 HB2 HIS A 87 96.776 7.257 -6.505 1.00 0.00 H new ATOM 0 HB3 HIS A 87 96.396 8.551 -5.386 1.00 0.00 H new ATOM 0 HD2 HIS A 87 98.318 10.557 -5.389 1.00 0.00 H new ATOM 0 HE1 HIS A 87 101.489 8.353 -7.095 1.00 0.00 H new ATOM 0 HE2 HIS A 87 100.795 10.681 -6.283 1.00 0.00 H new ATOM 1360 N THR A 88 96.727 7.777 -2.300 1.00 0.00 N ATOM 1361 CA THR A 88 97.014 8.529 -1.046 1.00 0.00 C ATOM 1362 C THR A 88 97.193 7.537 0.098 1.00 0.00 C ATOM 1363 O THR A 88 96.507 6.539 0.189 1.00 0.00 O ATOM 1364 CB THR A 88 95.864 9.496 -0.752 1.00 0.00 C ATOM 1365 OG1 THR A 88 95.701 10.365 -1.864 1.00 0.00 O ATOM 1366 CG2 THR A 88 96.181 10.324 0.496 1.00 0.00 C ATOM 0 H THR A 88 95.774 7.424 -2.387 1.00 0.00 H new ATOM 0 HA THR A 88 97.930 9.109 -1.158 1.00 0.00 H new ATOM 0 HB THR A 88 94.948 8.931 -0.579 1.00 0.00 H new ATOM 0 HG1 THR A 88 95.141 9.929 -2.540 1.00 0.00 H new ATOM 0 HG21 THR A 88 95.357 11.009 0.697 1.00 0.00 H new ATOM 0 HG22 THR A 88 96.317 9.659 1.349 1.00 0.00 H new ATOM 0 HG23 THR A 88 97.095 10.894 0.332 1.00 0.00 H new ATOM 1374 N SER A 89 98.137 7.791 0.953 1.00 0.00 N ATOM 1375 CA SER A 89 98.395 6.852 2.072 1.00 0.00 C ATOM 1376 C SER A 89 97.533 7.205 3.282 1.00 0.00 C ATOM 1377 O SER A 89 97.410 8.351 3.663 1.00 0.00 O ATOM 1378 CB SER A 89 99.866 6.942 2.456 1.00 0.00 C ATOM 1379 OG SER A 89 100.075 8.102 3.249 1.00 0.00 O ATOM 0 H SER A 89 98.743 8.611 0.925 1.00 0.00 H new ATOM 0 HA SER A 89 98.146 5.840 1.754 1.00 0.00 H new ATOM 0 HB2 SER A 89 100.164 6.051 3.009 1.00 0.00 H new ATOM 0 HB3 SER A 89 100.486 6.984 1.560 1.00 0.00 H new ATOM 0 HG SER A 89 101.021 8.161 3.499 1.00 0.00 H new ATOM 1385 N LEU A 90 96.945 6.217 3.890 1.00 0.00 N ATOM 1386 CA LEU A 90 96.092 6.467 5.086 1.00 0.00 C ATOM 1387 C LEU A 90 96.965 6.896 6.277 1.00 0.00 C ATOM 1388 O LEU A 90 96.465 7.318 7.299 1.00 0.00 O ATOM 1389 CB LEU A 90 95.326 5.191 5.443 1.00 0.00 C ATOM 1390 CG LEU A 90 94.228 4.934 4.405 1.00 0.00 C ATOM 1391 CD1 LEU A 90 93.664 3.534 4.617 1.00 0.00 C ATOM 1392 CD2 LEU A 90 93.100 5.950 4.585 1.00 0.00 C ATOM 0 H LEU A 90 97.018 5.239 3.609 1.00 0.00 H new ATOM 0 HA LEU A 90 95.385 7.265 4.859 1.00 0.00 H new ATOM 0 HB2 LEU A 90 96.010 4.343 5.479 1.00 0.00 H new ATOM 0 HB3 LEU A 90 94.885 5.287 6.435 1.00 0.00 H new ATOM 0 HG LEU A 90 94.648 5.027 3.403 1.00 0.00 H new ATOM 0 HD11 LEU A 90 92.882 3.342 3.883 1.00 0.00 H new ATOM 0 HD12 LEU A 90 94.460 2.799 4.499 1.00 0.00 H new ATOM 0 HD13 LEU A 90 93.246 3.458 5.621 1.00 0.00 H new ATOM 0 HD21 LEU A 90 92.321 5.764 3.845 1.00 0.00 H new ATOM 0 HD22 LEU A 90 92.680 5.854 5.586 1.00 0.00 H new ATOM 0 HD23 LEU A 90 93.493 6.958 4.452 1.00 0.00 H new ATOM 1404 N VAL A 91 98.265 6.783 6.159 1.00 0.00 N ATOM 1405 CA VAL A 91 99.162 7.177 7.289 1.00 0.00 C ATOM 1406 C VAL A 91 98.567 8.361 8.043 1.00 0.00 C ATOM 1407 O VAL A 91 98.632 8.412 9.254 1.00 0.00 O ATOM 1408 CB VAL A 91 100.534 7.590 6.741 1.00 0.00 C ATOM 1409 CG1 VAL A 91 100.415 8.939 6.029 1.00 0.00 C ATOM 1410 CG2 VAL A 91 101.534 7.710 7.897 1.00 0.00 C ATOM 0 H VAL A 91 98.744 6.435 5.328 1.00 0.00 H new ATOM 0 HA VAL A 91 99.266 6.326 7.962 1.00 0.00 H new ATOM 0 HB VAL A 91 100.883 6.836 6.036 1.00 0.00 H new ATOM 0 HG11 VAL A 91 101.390 9.232 5.640 1.00 0.00 H new ATOM 0 HG12 VAL A 91 99.706 8.854 5.205 1.00 0.00 H new ATOM 0 HG13 VAL A 91 100.064 9.693 6.734 1.00 0.00 H new ATOM 0 HG21 VAL A 91 102.508 8.003 7.506 1.00 0.00 H new ATOM 0 HG22 VAL A 91 101.185 8.463 8.604 1.00 0.00 H new ATOM 0 HG23 VAL A 91 101.621 6.749 8.404 1.00 0.00 H new ATOM 1420 N GLN A 92 98.006 9.315 7.340 1.00 0.00 N ATOM 1421 CA GLN A 92 97.439 10.521 8.024 1.00 0.00 C ATOM 1422 C GLN A 92 96.099 10.203 8.696 1.00 0.00 C ATOM 1423 O GLN A 92 95.553 11.030 9.398 1.00 0.00 O ATOM 1424 CB GLN A 92 97.207 11.639 6.999 1.00 0.00 C ATOM 1425 CG GLN A 92 98.541 12.094 6.404 1.00 0.00 C ATOM 1426 CD GLN A 92 98.287 13.168 5.344 1.00 0.00 C ATOM 1427 OE1 GLN A 92 97.260 13.820 5.350 1.00 0.00 O ATOM 1428 NE2 GLN A 92 99.191 13.387 4.429 1.00 0.00 N ATOM 0 H GLN A 92 97.916 9.311 6.324 1.00 0.00 H new ATOM 0 HA GLN A 92 98.155 10.835 8.783 1.00 0.00 H new ATOM 0 HB2 GLN A 92 96.549 11.285 6.206 1.00 0.00 H new ATOM 0 HB3 GLN A 92 96.707 12.482 7.476 1.00 0.00 H new ATOM 0 HG2 GLN A 92 99.186 12.488 7.189 1.00 0.00 H new ATOM 0 HG3 GLN A 92 99.062 11.246 5.960 1.00 0.00 H new ATOM 0 HE21 GLN A 92 100.053 12.841 4.422 1.00 0.00 H new ATOM 0 HE22 GLN A 92 99.036 14.104 3.720 1.00 0.00 H new ATOM 1437 N HIS A 93 95.564 9.030 8.513 1.00 0.00 N ATOM 1438 CA HIS A 93 94.264 8.719 9.178 1.00 0.00 C ATOM 1439 C HIS A 93 94.449 8.854 10.682 1.00 0.00 C ATOM 1440 O HIS A 93 93.631 9.415 11.383 1.00 0.00 O ATOM 1441 CB HIS A 93 93.846 7.284 8.869 1.00 0.00 C ATOM 1442 CG HIS A 93 92.523 7.008 9.538 1.00 0.00 C ATOM 1443 ND1 HIS A 93 92.417 6.253 10.699 1.00 0.00 N ATOM 1444 CD2 HIS A 93 91.244 7.404 9.234 1.00 0.00 C ATOM 1445 CE1 HIS A 93 91.116 6.224 11.048 1.00 0.00 C ATOM 1446 NE2 HIS A 93 90.359 6.908 10.187 1.00 0.00 N ATOM 0 H HIS A 93 95.960 8.283 7.943 1.00 0.00 H new ATOM 0 HA HIS A 93 93.498 9.404 8.815 1.00 0.00 H new ATOM 0 HB2 HIS A 93 93.762 7.139 7.792 1.00 0.00 H new ATOM 0 HB3 HIS A 93 94.603 6.585 9.226 1.00 0.00 H new ATOM 0 HD2 HIS A 93 90.966 8.009 8.384 1.00 0.00 H new ATOM 0 HE1 HIS A 93 90.733 5.711 11.917 1.00 0.00 H new ATOM 0 HE2 HIS A 93 89.348 7.039 10.220 1.00 0.00 H new ATOM 1454 N ASN A 94 95.536 8.340 11.169 1.00 0.00 N ATOM 1455 CA ASN A 94 95.835 8.421 12.618 1.00 0.00 C ATOM 1456 C ASN A 94 97.356 8.486 12.766 1.00 0.00 C ATOM 1457 O ASN A 94 97.910 8.198 13.807 1.00 0.00 O ATOM 1458 CB ASN A 94 95.290 7.179 13.325 1.00 0.00 C ATOM 1459 CG ASN A 94 95.049 7.509 14.795 1.00 0.00 C ATOM 1460 OD1 ASN A 94 94.278 8.392 15.109 1.00 0.00 O ATOM 1461 ND2 ASN A 94 95.685 6.840 15.715 1.00 0.00 N ATOM 0 H ASN A 94 96.243 7.858 10.614 1.00 0.00 H new ATOM 0 HA ASN A 94 95.370 9.300 13.065 1.00 0.00 H new ATOM 0 HB2 ASN A 94 94.361 6.855 12.855 1.00 0.00 H new ATOM 0 HB3 ASN A 94 95.997 6.354 13.235 1.00 0.00 H new ATOM 0 HD21 ASN A 94 95.535 7.058 16.700 1.00 0.00 H new ATOM 0 HD22 ASN A 94 96.333 6.098 15.450 1.00 0.00 H new ATOM 1468 N ASP A 95 98.026 8.860 11.705 1.00 0.00 N ATOM 1469 CA ASP A 95 99.514 8.950 11.728 1.00 0.00 C ATOM 1470 C ASP A 95 100.114 7.557 11.938 1.00 0.00 C ATOM 1471 O ASP A 95 101.097 7.390 12.632 1.00 0.00 O ATOM 1472 CB ASP A 95 99.957 9.884 12.859 1.00 0.00 C ATOM 1473 CG ASP A 95 101.441 10.222 12.692 1.00 0.00 C ATOM 1474 OD1 ASP A 95 102.097 9.549 11.913 1.00 0.00 O ATOM 1475 OD2 ASP A 95 101.893 11.152 13.341 1.00 0.00 O ATOM 0 H ASP A 95 97.598 9.109 10.814 1.00 0.00 H new ATOM 0 HA ASP A 95 99.865 9.349 10.776 1.00 0.00 H new ATOM 0 HB2 ASP A 95 99.362 10.797 12.845 1.00 0.00 H new ATOM 0 HB3 ASP A 95 99.788 9.408 13.825 1.00 0.00 H new ATOM 1480 N SER A 96 99.534 6.554 11.330 1.00 0.00 N ATOM 1481 CA SER A 96 100.074 5.173 11.481 1.00 0.00 C ATOM 1482 C SER A 96 99.419 4.247 10.463 1.00 0.00 C ATOM 1483 O SER A 96 99.682 3.059 10.432 1.00 0.00 O ATOM 1484 CB SER A 96 99.774 4.654 12.886 1.00 0.00 C ATOM 1485 OG SER A 96 100.530 5.395 13.834 1.00 0.00 O ATOM 0 H SER A 96 98.709 6.634 10.735 1.00 0.00 H new ATOM 0 HA SER A 96 101.151 5.196 11.317 1.00 0.00 H new ATOM 0 HB2 SER A 96 98.709 4.747 13.100 1.00 0.00 H new ATOM 0 HB3 SER A 96 100.021 3.595 12.955 1.00 0.00 H new ATOM 0 HG SER A 96 101.144 5.997 13.364 1.00 0.00 H new ATOM 1491 N LEU A 97 98.568 4.768 9.632 1.00 0.00 N ATOM 1492 CA LEU A 97 97.907 3.890 8.632 1.00 0.00 C ATOM 1493 C LEU A 97 98.599 4.092 7.293 1.00 0.00 C ATOM 1494 O LEU A 97 98.019 4.586 6.350 1.00 0.00 O ATOM 1495 CB LEU A 97 96.428 4.268 8.528 1.00 0.00 C ATOM 1496 CG LEU A 97 95.817 4.303 9.931 1.00 0.00 C ATOM 1497 CD1 LEU A 97 96.200 3.033 10.701 1.00 0.00 C ATOM 1498 CD2 LEU A 97 96.346 5.533 10.674 1.00 0.00 C ATOM 0 H LEU A 97 98.302 5.752 9.600 1.00 0.00 H new ATOM 0 HA LEU A 97 97.979 2.844 8.929 1.00 0.00 H new ATOM 0 HB2 LEU A 97 96.322 5.241 8.048 1.00 0.00 H new ATOM 0 HB3 LEU A 97 95.899 3.546 7.906 1.00 0.00 H new ATOM 0 HG LEU A 97 94.731 4.355 9.854 1.00 0.00 H new ATOM 0 HD11 LEU A 97 95.761 3.066 11.698 1.00 0.00 H new ATOM 0 HD12 LEU A 97 95.826 2.158 10.169 1.00 0.00 H new ATOM 0 HD13 LEU A 97 97.285 2.971 10.784 1.00 0.00 H new ATOM 0 HD21 LEU A 97 95.916 5.566 11.675 1.00 0.00 H new ATOM 0 HD22 LEU A 97 97.432 5.475 10.747 1.00 0.00 H new ATOM 0 HD23 LEU A 97 96.067 6.435 10.129 1.00 0.00 H new ATOM 1510 N ASN A 98 99.849 3.736 7.207 1.00 0.00 N ATOM 1511 CA ASN A 98 100.586 3.944 5.934 1.00 0.00 C ATOM 1512 C ASN A 98 100.240 2.857 4.928 1.00 0.00 C ATOM 1513 O ASN A 98 101.041 2.003 4.604 1.00 0.00 O ATOM 1514 CB ASN A 98 102.086 3.950 6.217 1.00 0.00 C ATOM 1515 CG ASN A 98 102.501 2.615 6.836 1.00 0.00 C ATOM 1516 OD1 ASN A 98 101.676 1.751 7.053 1.00 0.00 O ATOM 1517 ND2 ASN A 98 103.754 2.411 7.139 1.00 0.00 N ATOM 0 H ASN A 98 100.390 3.312 7.961 1.00 0.00 H new ATOM 0 HA ASN A 98 100.294 4.903 5.505 1.00 0.00 H new ATOM 0 HB2 ASN A 98 102.639 4.121 5.293 1.00 0.00 H new ATOM 0 HB3 ASN A 98 102.335 4.768 6.893 1.00 0.00 H new ATOM 0 HD21 ASN A 98 104.040 1.526 7.558 1.00 0.00 H new ATOM 0 HD22 ASN A 98 104.447 3.137 6.957 1.00 0.00 H new ATOM 1524 N VAL A 99 99.045 2.905 4.419 1.00 0.00 N ATOM 1525 CA VAL A 99 98.617 1.905 3.417 1.00 0.00 C ATOM 1526 C VAL A 99 97.629 2.559 2.466 1.00 0.00 C ATOM 1527 O VAL A 99 97.009 3.556 2.780 1.00 0.00 O ATOM 1528 CB VAL A 99 97.942 0.735 4.122 1.00 0.00 C ATOM 1529 CG1 VAL A 99 96.788 1.267 4.969 1.00 0.00 C ATOM 1530 CG2 VAL A 99 97.394 -0.244 3.081 1.00 0.00 C ATOM 0 H VAL A 99 98.341 3.603 4.659 1.00 0.00 H new ATOM 0 HA VAL A 99 99.482 1.540 2.863 1.00 0.00 H new ATOM 0 HB VAL A 99 98.665 0.221 4.756 1.00 0.00 H new ATOM 0 HG11 VAL A 99 96.298 0.437 5.478 1.00 0.00 H new ATOM 0 HG12 VAL A 99 97.173 1.970 5.708 1.00 0.00 H new ATOM 0 HG13 VAL A 99 96.069 1.774 4.326 1.00 0.00 H new ATOM 0 HG21 VAL A 99 96.911 -1.080 3.587 1.00 0.00 H new ATOM 0 HG22 VAL A 99 96.667 0.266 2.449 1.00 0.00 H new ATOM 0 HG23 VAL A 99 98.213 -0.616 2.465 1.00 0.00 H new ATOM 1540 N THR A 100 97.482 2.001 1.310 1.00 0.00 N ATOM 1541 CA THR A 100 96.535 2.569 0.325 1.00 0.00 C ATOM 1542 C THR A 100 95.524 1.493 -0.040 1.00 0.00 C ATOM 1543 O THR A 100 95.823 0.317 -0.010 1.00 0.00 O ATOM 1544 CB THR A 100 97.314 3.002 -0.917 1.00 0.00 C ATOM 1545 OG1 THR A 100 97.874 1.854 -1.542 1.00 0.00 O ATOM 1546 CG2 THR A 100 98.428 3.961 -0.493 1.00 0.00 C ATOM 0 H THR A 100 97.981 1.167 1.000 1.00 0.00 H new ATOM 0 HA THR A 100 96.016 3.434 0.739 1.00 0.00 H new ATOM 0 HB THR A 100 96.651 3.504 -1.621 1.00 0.00 H new ATOM 0 HG1 THR A 100 98.373 2.127 -2.340 1.00 0.00 H new ATOM 0 HG21 THR A 100 98.991 4.276 -1.372 1.00 0.00 H new ATOM 0 HG22 THR A 100 97.991 4.835 -0.009 1.00 0.00 H new ATOM 0 HG23 THR A 100 99.097 3.456 0.204 1.00 0.00 H new ATOM 1554 N LEU A 101 94.336 1.880 -0.387 1.00 0.00 N ATOM 1555 CA LEU A 101 93.325 0.858 -0.756 1.00 0.00 C ATOM 1556 C LEU A 101 93.457 0.574 -2.254 1.00 0.00 C ATOM 1557 O LEU A 101 92.491 0.551 -2.989 1.00 0.00 O ATOM 1558 CB LEU A 101 91.915 1.363 -0.415 1.00 0.00 C ATOM 1559 CG LEU A 101 91.715 2.809 -0.867 1.00 0.00 C ATOM 1560 CD1 LEU A 101 91.551 2.855 -2.385 1.00 0.00 C ATOM 1561 CD2 LEU A 101 90.442 3.353 -0.213 1.00 0.00 C ATOM 0 H LEU A 101 94.021 2.849 -0.432 1.00 0.00 H new ATOM 0 HA LEU A 101 93.491 -0.061 -0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 101 91.173 0.725 -0.894 1.00 0.00 H new ATOM 0 HB3 LEU A 101 91.751 1.291 0.660 1.00 0.00 H new ATOM 0 HG LEU A 101 92.578 3.408 -0.578 1.00 0.00 H new ATOM 0 HD11 LEU A 101 91.409 3.887 -2.704 1.00 0.00 H new ATOM 0 HD12 LEU A 101 92.444 2.448 -2.860 1.00 0.00 H new ATOM 0 HD13 LEU A 101 90.683 2.262 -2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 101 90.285 4.385 -0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 101 89.589 2.747 -0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 101 90.545 3.314 0.871 1.00 0.00 H new ATOM 1573 N ALA A 102 94.667 0.373 -2.704 1.00 0.00 N ATOM 1574 CA ALA A 102 94.915 0.113 -4.151 1.00 0.00 C ATOM 1575 C ALA A 102 94.674 -1.358 -4.503 1.00 0.00 C ATOM 1576 O ALA A 102 94.755 -1.739 -5.655 1.00 0.00 O ATOM 1577 CB ALA A 102 96.363 0.473 -4.481 1.00 0.00 C ATOM 0 H ALA A 102 95.505 0.378 -2.122 1.00 0.00 H new ATOM 0 HA ALA A 102 94.224 0.723 -4.732 1.00 0.00 H new ATOM 0 HB1 ALA A 102 96.553 0.286 -5.538 1.00 0.00 H new ATOM 0 HB2 ALA A 102 96.535 1.527 -4.263 1.00 0.00 H new ATOM 0 HB3 ALA A 102 97.036 -0.137 -3.878 1.00 0.00 H new ATOM 1583 N TYR A 103 94.394 -2.196 -3.545 1.00 0.00 N ATOM 1584 CA TYR A 103 94.179 -3.628 -3.887 1.00 0.00 C ATOM 1585 C TYR A 103 92.714 -4.015 -3.638 1.00 0.00 C ATOM 1586 O TYR A 103 92.221 -3.920 -2.534 1.00 0.00 O ATOM 1587 CB TYR A 103 95.092 -4.492 -3.020 1.00 0.00 C ATOM 1588 CG TYR A 103 96.530 -4.295 -3.441 1.00 0.00 C ATOM 1589 CD1 TYR A 103 97.294 -3.274 -2.863 1.00 0.00 C ATOM 1590 CD2 TYR A 103 97.100 -5.142 -4.396 1.00 0.00 C ATOM 1591 CE1 TYR A 103 98.628 -3.098 -3.242 1.00 0.00 C ATOM 1592 CE2 TYR A 103 98.434 -4.965 -4.781 1.00 0.00 C ATOM 1593 CZ TYR A 103 99.202 -3.945 -4.199 1.00 0.00 C ATOM 1594 OH TYR A 103 100.523 -3.773 -4.565 1.00 0.00 O ATOM 0 H TYR A 103 94.306 -1.957 -2.557 1.00 0.00 H new ATOM 0 HA TYR A 103 94.411 -3.787 -4.940 1.00 0.00 H new ATOM 0 HB2 TYR A 103 94.971 -4.226 -1.970 1.00 0.00 H new ATOM 0 HB3 TYR A 103 94.815 -5.542 -3.117 1.00 0.00 H new ATOM 0 HD1 TYR A 103 96.852 -2.622 -2.124 1.00 0.00 H new ATOM 0 HD2 TYR A 103 96.511 -5.933 -4.837 1.00 0.00 H new ATOM 0 HE1 TYR A 103 99.216 -2.309 -2.797 1.00 0.00 H new ATOM 0 HE2 TYR A 103 98.872 -5.613 -5.526 1.00 0.00 H new ATOM 0 HH TYR A 103 100.766 -4.443 -5.238 1.00 0.00 H new ATOM 1604 N PRO A 104 92.024 -4.457 -4.662 1.00 0.00 N ATOM 1605 CA PRO A 104 90.600 -4.876 -4.551 1.00 0.00 C ATOM 1606 C PRO A 104 90.451 -6.213 -3.831 1.00 0.00 C ATOM 1607 O PRO A 104 91.289 -7.087 -3.936 1.00 0.00 O ATOM 1608 CB PRO A 104 90.129 -5.019 -5.994 1.00 0.00 C ATOM 1609 CG PRO A 104 91.357 -5.178 -6.822 1.00 0.00 C ATOM 1610 CD PRO A 104 92.531 -4.605 -6.032 1.00 0.00 C ATOM 0 HA PRO A 104 90.023 -4.153 -3.975 1.00 0.00 H new ATOM 0 HB2 PRO A 104 89.471 -5.881 -6.105 1.00 0.00 H new ATOM 0 HB3 PRO A 104 89.561 -4.143 -6.306 1.00 0.00 H new ATOM 0 HG2 PRO A 104 91.529 -6.229 -7.052 1.00 0.00 H new ATOM 0 HG3 PRO A 104 91.246 -4.657 -7.773 1.00 0.00 H new ATOM 0 HD2 PRO A 104 93.393 -5.271 -6.065 1.00 0.00 H new ATOM 0 HD3 PRO A 104 92.853 -3.647 -6.440 1.00 0.00 H new ATOM 1618 N VAL A 105 89.391 -6.373 -3.102 1.00 0.00 N ATOM 1619 CA VAL A 105 89.174 -7.645 -2.369 1.00 0.00 C ATOM 1620 C VAL A 105 88.599 -8.720 -3.306 1.00 0.00 C ATOM 1621 O VAL A 105 88.751 -9.904 -3.071 1.00 0.00 O ATOM 1622 CB VAL A 105 88.208 -7.380 -1.217 1.00 0.00 C ATOM 1623 CG1 VAL A 105 86.806 -7.057 -1.749 1.00 0.00 C ATOM 1624 CG2 VAL A 105 88.134 -8.611 -0.316 1.00 0.00 C ATOM 0 H VAL A 105 88.659 -5.673 -2.980 1.00 0.00 H new ATOM 0 HA VAL A 105 90.125 -8.012 -1.983 1.00 0.00 H new ATOM 0 HB VAL A 105 88.574 -6.525 -0.648 1.00 0.00 H new ATOM 0 HG11 VAL A 105 86.133 -6.871 -0.912 1.00 0.00 H new ATOM 0 HG12 VAL A 105 86.852 -6.170 -2.381 1.00 0.00 H new ATOM 0 HG13 VAL A 105 86.435 -7.900 -2.333 1.00 0.00 H new ATOM 0 HG21 VAL A 105 87.444 -8.420 0.506 1.00 0.00 H new ATOM 0 HG22 VAL A 105 87.781 -9.465 -0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 105 89.124 -8.828 0.085 1.00 0.00 H new ATOM 1634 N TYR A 106 87.925 -8.317 -4.354 1.00 0.00 N ATOM 1635 CA TYR A 106 87.328 -9.317 -5.287 1.00 0.00 C ATOM 1636 C TYR A 106 88.020 -9.263 -6.645 1.00 0.00 C ATOM 1637 O TYR A 106 87.383 -9.245 -7.677 1.00 0.00 O ATOM 1638 CB TYR A 106 85.831 -9.041 -5.458 1.00 0.00 C ATOM 1639 CG TYR A 106 85.043 -9.937 -4.528 1.00 0.00 C ATOM 1640 CD1 TYR A 106 85.372 -10.006 -3.170 1.00 0.00 C ATOM 1641 CD2 TYR A 106 83.983 -10.701 -5.031 1.00 0.00 C ATOM 1642 CE1 TYR A 106 84.641 -10.837 -2.315 1.00 0.00 C ATOM 1643 CE2 TYR A 106 83.251 -11.532 -4.176 1.00 0.00 C ATOM 1644 CZ TYR A 106 83.580 -11.600 -2.817 1.00 0.00 C ATOM 1645 OH TYR A 106 82.859 -12.417 -1.973 1.00 0.00 O ATOM 0 H TYR A 106 87.763 -7.341 -4.602 1.00 0.00 H new ATOM 0 HA TYR A 106 87.467 -10.312 -4.864 1.00 0.00 H new ATOM 0 HB2 TYR A 106 85.616 -7.995 -5.241 1.00 0.00 H new ATOM 0 HB3 TYR A 106 85.533 -9.220 -6.491 1.00 0.00 H new ATOM 0 HD1 TYR A 106 86.190 -9.418 -2.782 1.00 0.00 H new ATOM 0 HD2 TYR A 106 83.730 -10.649 -6.080 1.00 0.00 H new ATOM 0 HE1 TYR A 106 84.895 -10.890 -1.267 1.00 0.00 H new ATOM 0 HE2 TYR A 106 82.433 -12.121 -4.564 1.00 0.00 H new ATOM 0 HH TYR A 106 82.158 -12.875 -2.481 1.00 0.00 H new ATOM 1655 N ALA A 107 89.322 -9.257 -6.662 1.00 0.00 N ATOM 1656 CA ALA A 107 90.033 -9.231 -7.966 1.00 0.00 C ATOM 1657 C ALA A 107 90.056 -10.658 -8.529 1.00 0.00 C ATOM 1658 O ALA A 107 90.907 -11.455 -8.188 1.00 0.00 O ATOM 1659 CB ALA A 107 91.469 -8.730 -7.767 1.00 0.00 C ATOM 0 H ALA A 107 89.920 -9.269 -5.836 1.00 0.00 H new ATOM 0 HA ALA A 107 89.523 -8.561 -8.658 1.00 0.00 H new ATOM 0 HB1 ALA A 107 91.985 -8.713 -8.727 1.00 0.00 H new ATOM 0 HB2 ALA A 107 91.449 -7.724 -7.349 1.00 0.00 H new ATOM 0 HB3 ALA A 107 91.995 -9.396 -7.084 1.00 0.00 H new