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 89 SER OG : rot 90:sc= -0.11 USER MOD Set 1.2: A 98 ASN : amide:sc=-0.00756 X(o=-0.12,f=0.12) USER MOD Set 2.1: A 86 GLN : amide:sc= -9.49! C(o=-13!,f=-25!) USER MOD Set 2.2: A 87 HIS : no HD1:sc= -3.95! C(o=-13!,f=-16!) USER MOD Set 3.1: A 84 HIS : no HD1:sc= -0.656 K(o=-1.3,f=-2.9) USER MOD Set 3.2: A 88 THR OG1 : rot -84:sc= -0.615 USER MOD Set 4.1: A 47 SER OG : rot -119:sc= 0.315 USER MOD Set 4.2: A 56 HIS :FLIP no HD1:sc= 0.266 F(o=-1.2,f=0.58) USER MOD Set 5.1: A 17 ASN :FLIP amide:sc= -5.04! C(o=-17!,f=-12!) USER MOD Set 5.2: A 19 ASN : amide:sc= -7.01! C(o=-12!,f=-28!) USER MOD Single : A 5 HIS :FLIP no HD1:sc= -0.665 F(o=-1.7,f=-0.67) USER MOD Single : A 6 HIS : no HD1:sc= -0.0655 X(o=-0.065,f=-0.2) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 37:sc= -4.29! USER MOD Single : A 12 ASN : amide:sc=-0.00963 K(o=-0.0096,f=-0.79) USER MOD Single : A 15 SER OG : rot -67:sc= 0.821 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0619 K(o=-0.062,f=-1.9!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 170:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= -2.38 USER MOD Single : A 55 LYS NZ :NH3+ -136:sc= -10.9! (180deg=-16.4!) USER MOD Single : A 57 CYS SG : rot -130:sc= -0.0672 USER MOD Single : A 60 ASN :FLIP amide:sc= -0.0123 F(o=-0.87,f=-0.012) USER MOD Single : A 77 SER OG : rot -30:sc= 0.0343 USER MOD Single : A 79 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.117) USER MOD Single : A 85 TYR OH : rot 180:sc=-0.00316 USER MOD Single : A 92 GLN : amide:sc= -1.19! C(o=-1.2!,f=-1.2!) USER MOD Single : A 93 HIS : no HD1:sc= -0.0109 X(o=-0.011,f=-0.13) USER MOD Single : A 94 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 96 SER OG : rot 68:sc= 0.583 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 120:sc= -0.988 USER MOD ----------------------------------------------------------------- ATOM 30 N LEU A 3 91.504 -1.600 -15.072 1.00 0.00 N ATOM 31 CA LEU A 3 91.886 -1.488 -13.643 1.00 0.00 C ATOM 32 C LEU A 3 90.722 -1.999 -12.783 1.00 0.00 C ATOM 33 O LEU A 3 89.597 -1.573 -12.945 1.00 0.00 O ATOM 34 CB LEU A 3 92.171 -0.024 -13.303 1.00 0.00 C ATOM 35 CG LEU A 3 92.963 0.061 -11.995 1.00 0.00 C ATOM 36 CD1 LEU A 3 94.400 -0.420 -12.223 1.00 0.00 C ATOM 37 CD2 LEU A 3 93.009 1.513 -11.526 1.00 0.00 C ATOM 0 HA LEU A 3 92.781 -2.080 -13.448 1.00 0.00 H new ATOM 0 HB2 LEU A 3 92.734 0.443 -14.111 1.00 0.00 H new ATOM 0 HB3 LEU A 3 91.235 0.526 -13.208 1.00 0.00 H new ATOM 0 HG LEU A 3 92.478 -0.565 -11.246 1.00 0.00 H new ATOM 0 HD11 LEU A 3 94.957 -0.357 -11.288 1.00 0.00 H new ATOM 0 HD12 LEU A 3 94.387 -1.454 -12.569 1.00 0.00 H new ATOM 0 HD13 LEU A 3 94.879 0.208 -12.974 1.00 0.00 H new ATOM 0 HD21 LEU A 3 93.572 1.577 -10.595 1.00 0.00 H new ATOM 0 HD22 LEU A 3 93.494 2.126 -12.286 1.00 0.00 H new ATOM 0 HD23 LEU A 3 91.994 1.875 -11.362 1.00 0.00 H new ATOM 49 N PRO A 4 90.979 -2.902 -11.871 1.00 0.00 N ATOM 50 CA PRO A 4 89.923 -3.458 -10.978 1.00 0.00 C ATOM 51 C PRO A 4 89.063 -2.371 -10.335 1.00 0.00 C ATOM 52 O PRO A 4 87.974 -2.628 -9.866 1.00 0.00 O ATOM 53 CB PRO A 4 90.713 -4.193 -9.897 1.00 0.00 C ATOM 54 CG PRO A 4 91.998 -4.574 -10.542 1.00 0.00 C ATOM 55 CD PRO A 4 92.294 -3.501 -11.586 1.00 0.00 C ATOM 0 HA PRO A 4 89.229 -4.090 -11.532 1.00 0.00 H new ATOM 0 HB2 PRO A 4 90.882 -3.554 -9.030 1.00 0.00 H new ATOM 0 HB3 PRO A 4 90.174 -5.072 -9.545 1.00 0.00 H new ATOM 0 HG2 PRO A 4 92.800 -4.630 -9.806 1.00 0.00 H new ATOM 0 HG3 PRO A 4 91.922 -5.557 -11.007 1.00 0.00 H new ATOM 0 HD2 PRO A 4 92.996 -2.759 -11.206 1.00 0.00 H new ATOM 0 HD3 PRO A 4 92.739 -3.931 -12.484 1.00 0.00 H new ATOM 63 N HIS A 5 89.544 -1.163 -10.286 1.00 0.00 N ATOM 64 CA HIS A 5 88.739 -0.092 -9.645 1.00 0.00 C ATOM 65 C HIS A 5 87.487 0.188 -10.485 1.00 0.00 C ATOM 66 O HIS A 5 86.481 0.642 -9.979 1.00 0.00 O ATOM 67 CB HIS A 5 89.579 1.183 -9.509 1.00 0.00 C ATOM 68 CG HIS A 5 90.714 0.937 -8.551 1.00 0.00 C ATOM 69 ND1 HIS A 5 91.976 1.469 -8.464 1.00 0.00 N flip ATOM 70 CD2 HIS A 5 90.614 0.032 -7.508 1.00 0.00 C flip ATOM 71 CE1 HIS A 5 92.652 0.901 -7.389 1.00 0.00 C flip ATOM 72 NE2 HIS A 5 91.786 0.044 -6.846 1.00 0.00 N flip ATOM 0 H HIS A 5 90.449 -0.873 -10.657 1.00 0.00 H new ATOM 0 HA HIS A 5 88.434 -0.419 -8.651 1.00 0.00 H new ATOM 0 HB2 HIS A 5 89.969 1.480 -10.483 1.00 0.00 H new ATOM 0 HB3 HIS A 5 88.958 2.004 -9.150 1.00 0.00 H new ATOM 0 HD2 HIS A 5 89.752 -0.574 -7.269 1.00 0.00 H new ATOM 0 HE1 HIS A 5 93.661 1.109 -7.064 1.00 0.00 H new ATOM 0 HE2 HIS A 5 91.987 -0.532 -6.029 1.00 0.00 H new ATOM 80 N HIS A 6 87.541 -0.079 -11.767 1.00 0.00 N ATOM 81 CA HIS A 6 86.351 0.173 -12.640 1.00 0.00 C ATOM 82 C HIS A 6 85.170 -0.710 -12.219 1.00 0.00 C ATOM 83 O HIS A 6 84.033 -0.283 -12.242 1.00 0.00 O ATOM 84 CB HIS A 6 86.706 -0.112 -14.100 1.00 0.00 C ATOM 85 CG HIS A 6 87.613 0.973 -14.607 1.00 0.00 C ATOM 86 ND1 HIS A 6 87.247 2.309 -14.572 1.00 0.00 N ATOM 87 CD2 HIS A 6 88.868 0.942 -15.163 1.00 0.00 C ATOM 88 CE1 HIS A 6 88.262 3.021 -15.090 1.00 0.00 C ATOM 89 NE2 HIS A 6 89.275 2.237 -15.468 1.00 0.00 N ATOM 0 H HIS A 6 88.356 -0.460 -12.247 1.00 0.00 H new ATOM 0 HA HIS A 6 86.062 1.218 -12.531 1.00 0.00 H new ATOM 0 HB2 HIS A 6 87.196 -1.082 -14.185 1.00 0.00 H new ATOM 0 HB3 HIS A 6 85.800 -0.158 -14.705 1.00 0.00 H new ATOM 0 HD2 HIS A 6 89.450 0.049 -15.337 1.00 0.00 H new ATOM 0 HE1 HIS A 6 88.259 4.096 -15.189 1.00 0.00 H new ATOM 0 HE2 HIS A 6 90.158 2.526 -15.890 1.00 0.00 H new ATOM 97 N ASP A 7 85.419 -1.939 -11.858 1.00 0.00 N ATOM 98 CA ASP A 7 84.298 -2.835 -11.461 1.00 0.00 C ATOM 99 C ASP A 7 84.086 -2.787 -9.938 1.00 0.00 C ATOM 100 O ASP A 7 85.007 -2.961 -9.166 1.00 0.00 O ATOM 101 CB ASP A 7 84.623 -4.270 -11.884 1.00 0.00 C ATOM 102 CG ASP A 7 84.647 -4.371 -13.414 1.00 0.00 C ATOM 103 OD1 ASP A 7 83.694 -3.929 -14.032 1.00 0.00 O ATOM 104 OD2 ASP A 7 85.619 -4.890 -13.937 1.00 0.00 O ATOM 0 H ASP A 7 86.347 -2.360 -11.821 1.00 0.00 H new ATOM 0 HA ASP A 7 83.386 -2.499 -11.954 1.00 0.00 H new ATOM 0 HB2 ASP A 7 85.589 -4.569 -11.476 1.00 0.00 H new ATOM 0 HB3 ASP A 7 83.879 -4.955 -11.477 1.00 0.00 H new ATOM 109 N GLU A 8 82.870 -2.557 -9.505 1.00 0.00 N ATOM 110 CA GLU A 8 82.581 -2.497 -8.035 1.00 0.00 C ATOM 111 C GLU A 8 82.777 -3.871 -7.395 1.00 0.00 C ATOM 112 O GLU A 8 83.047 -3.985 -6.221 1.00 0.00 O ATOM 113 CB GLU A 8 81.135 -2.043 -7.809 1.00 0.00 C ATOM 114 CG GLU A 8 81.004 -0.558 -8.143 1.00 0.00 C ATOM 115 CD GLU A 8 79.523 -0.167 -8.166 1.00 0.00 C ATOM 116 OE1 GLU A 8 78.697 -1.061 -8.234 1.00 0.00 O ATOM 117 OE2 GLU A 8 79.242 1.019 -8.112 1.00 0.00 O ATOM 0 H GLU A 8 82.061 -2.407 -10.108 1.00 0.00 H new ATOM 0 HA GLU A 8 83.269 -1.787 -7.577 1.00 0.00 H new ATOM 0 HB2 GLU A 8 80.458 -2.627 -8.433 1.00 0.00 H new ATOM 0 HB3 GLU A 8 80.846 -2.220 -6.773 1.00 0.00 H new ATOM 0 HG2 GLU A 8 81.537 0.040 -7.404 1.00 0.00 H new ATOM 0 HG3 GLU A 8 81.461 -0.351 -9.111 1.00 0.00 H new ATOM 124 N LYS A 9 82.622 -4.911 -8.152 1.00 0.00 N ATOM 125 CA LYS A 9 82.775 -6.282 -7.591 1.00 0.00 C ATOM 126 C LYS A 9 84.182 -6.502 -7.036 1.00 0.00 C ATOM 127 O LYS A 9 84.374 -7.190 -6.053 1.00 0.00 O ATOM 128 CB LYS A 9 82.540 -7.283 -8.712 1.00 0.00 C ATOM 129 CG LYS A 9 83.741 -7.253 -9.670 1.00 0.00 C ATOM 130 CD LYS A 9 83.283 -7.571 -11.094 1.00 0.00 C ATOM 131 CE LYS A 9 84.434 -7.322 -12.075 1.00 0.00 C ATOM 132 NZ LYS A 9 85.065 -8.621 -12.439 1.00 0.00 N ATOM 0 H LYS A 9 82.394 -4.875 -9.145 1.00 0.00 H new ATOM 0 HA LYS A 9 82.058 -6.410 -6.780 1.00 0.00 H new ATOM 0 HB2 LYS A 9 82.411 -8.284 -8.301 1.00 0.00 H new ATOM 0 HB3 LYS A 9 81.624 -7.038 -9.249 1.00 0.00 H new ATOM 0 HG2 LYS A 9 84.214 -6.272 -9.642 1.00 0.00 H new ATOM 0 HG3 LYS A 9 84.490 -7.977 -9.350 1.00 0.00 H new ATOM 0 HD2 LYS A 9 82.956 -8.609 -11.158 1.00 0.00 H new ATOM 0 HD3 LYS A 9 82.427 -6.950 -11.358 1.00 0.00 H new ATOM 0 HE2 LYS A 9 84.062 -6.823 -12.970 1.00 0.00 H new ATOM 0 HE3 LYS A 9 85.173 -6.660 -11.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 85.846 -8.453 -13.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 85.433 -9.080 -11.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 84.357 -9.238 -12.885 1.00 0.00 H new ATOM 146 N THR A 10 85.168 -5.943 -7.668 1.00 0.00 N ATOM 147 CA THR A 10 86.562 -6.144 -7.196 1.00 0.00 C ATOM 148 C THR A 10 86.709 -5.617 -5.763 1.00 0.00 C ATOM 149 O THR A 10 87.464 -6.152 -4.972 1.00 0.00 O ATOM 150 CB THR A 10 87.508 -5.410 -8.148 1.00 0.00 C ATOM 151 OG1 THR A 10 86.926 -4.167 -8.526 1.00 0.00 O ATOM 152 CG2 THR A 10 87.738 -6.274 -9.394 1.00 0.00 C ATOM 0 H THR A 10 85.070 -5.353 -8.494 1.00 0.00 H new ATOM 0 HA THR A 10 86.810 -7.205 -7.189 1.00 0.00 H new ATOM 0 HB THR A 10 88.461 -5.225 -7.653 1.00 0.00 H new ATOM 0 HG1 THR A 10 86.445 -3.786 -7.762 1.00 0.00 H new ATOM 0 HG21 THR A 10 88.412 -5.756 -10.077 1.00 0.00 H new ATOM 0 HG22 THR A 10 88.180 -7.226 -9.100 1.00 0.00 H new ATOM 0 HG23 THR A 10 86.786 -6.455 -9.892 1.00 0.00 H new ATOM 160 N TRP A 11 85.995 -4.582 -5.420 1.00 0.00 N ATOM 161 CA TRP A 11 86.101 -4.035 -4.038 1.00 0.00 C ATOM 162 C TRP A 11 84.733 -4.019 -3.344 1.00 0.00 C ATOM 163 O TRP A 11 84.656 -3.959 -2.140 1.00 0.00 O ATOM 164 CB TRP A 11 86.633 -2.604 -4.105 1.00 0.00 C ATOM 165 CG TRP A 11 86.301 -2.019 -5.439 1.00 0.00 C ATOM 166 CD1 TRP A 11 86.857 -2.398 -6.609 1.00 0.00 C ATOM 167 CD2 TRP A 11 85.356 -0.960 -5.761 1.00 0.00 C ATOM 168 NE1 TRP A 11 86.314 -1.645 -7.631 1.00 0.00 N ATOM 169 CE2 TRP A 11 85.385 -0.738 -7.158 1.00 0.00 C ATOM 170 CE3 TRP A 11 84.486 -0.180 -4.982 1.00 0.00 C ATOM 171 CZ2 TRP A 11 84.578 0.233 -7.759 1.00 0.00 C ATOM 172 CZ3 TRP A 11 83.671 0.794 -5.581 1.00 0.00 C ATOM 173 CH2 TRP A 11 83.718 1.002 -6.967 1.00 0.00 C ATOM 0 H TRP A 11 85.344 -4.092 -6.034 1.00 0.00 H new ATOM 0 HA TRP A 11 86.777 -4.672 -3.468 1.00 0.00 H new ATOM 0 HB2 TRP A 11 86.192 -2.002 -3.311 1.00 0.00 H new ATOM 0 HB3 TRP A 11 87.712 -2.597 -3.949 1.00 0.00 H new ATOM 0 HD1 TRP A 11 87.606 -3.167 -6.727 1.00 0.00 H new ATOM 0 HE1 TRP A 11 86.567 -1.746 -8.614 1.00 0.00 H new ATOM 0 HE3 TRP A 11 84.443 -0.331 -3.913 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 84.618 0.388 -8.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 83.005 1.386 -4.971 1.00 0.00 H new ATOM 0 HH2 TRP A 11 83.091 1.755 -7.422 1.00 0.00 H new ATOM 184 N ASN A 12 83.656 -4.054 -4.080 1.00 0.00 N ATOM 185 CA ASN A 12 82.313 -4.018 -3.421 1.00 0.00 C ATOM 186 C ASN A 12 81.816 -5.436 -3.157 1.00 0.00 C ATOM 187 O ASN A 12 81.626 -6.215 -4.068 1.00 0.00 O ATOM 188 CB ASN A 12 81.309 -3.293 -4.324 1.00 0.00 C ATOM 189 CG ASN A 12 79.998 -3.074 -3.562 1.00 0.00 C ATOM 190 OD1 ASN A 12 80.006 -2.789 -2.380 1.00 0.00 O ATOM 191 ND2 ASN A 12 78.861 -3.199 -4.194 1.00 0.00 N ATOM 0 H ASN A 12 83.643 -4.105 -5.099 1.00 0.00 H new ATOM 0 HA ASN A 12 82.405 -3.487 -2.474 1.00 0.00 H new ATOM 0 HB2 ASN A 12 81.719 -2.336 -4.645 1.00 0.00 H new ATOM 0 HB3 ASN A 12 81.125 -3.879 -5.224 1.00 0.00 H new ATOM 0 HD21 ASN A 12 77.982 -3.058 -3.696 1.00 0.00 H new ATOM 0 HD22 ASN A 12 78.852 -3.438 -5.186 1.00 0.00 H new ATOM 198 N VAL A 13 81.594 -5.771 -1.918 1.00 0.00 N ATOM 199 CA VAL A 13 81.099 -7.138 -1.600 1.00 0.00 C ATOM 200 C VAL A 13 79.583 -7.091 -1.389 1.00 0.00 C ATOM 201 O VAL A 13 78.942 -8.102 -1.201 1.00 0.00 O ATOM 202 CB VAL A 13 81.773 -7.636 -0.325 1.00 0.00 C ATOM 203 CG1 VAL A 13 81.225 -6.854 0.866 1.00 0.00 C ATOM 204 CG2 VAL A 13 81.482 -9.128 -0.137 1.00 0.00 C ATOM 0 H VAL A 13 81.733 -5.159 -1.114 1.00 0.00 H new ATOM 0 HA VAL A 13 81.333 -7.813 -2.423 1.00 0.00 H new ATOM 0 HB VAL A 13 82.851 -7.489 -0.398 1.00 0.00 H new ATOM 0 HG11 VAL A 13 81.702 -7.204 1.782 1.00 0.00 H new ATOM 0 HG12 VAL A 13 81.433 -5.793 0.731 1.00 0.00 H new ATOM 0 HG13 VAL A 13 80.148 -7.006 0.937 1.00 0.00 H new ATOM 0 HG21 VAL A 13 81.965 -9.481 0.774 1.00 0.00 H new ATOM 0 HG22 VAL A 13 80.406 -9.282 -0.061 1.00 0.00 H new ATOM 0 HG23 VAL A 13 81.868 -9.684 -0.991 1.00 0.00 H new ATOM 214 N GLY A 14 79.003 -5.920 -1.422 1.00 0.00 N ATOM 215 CA GLY A 14 77.529 -5.815 -1.225 1.00 0.00 C ATOM 216 C GLY A 14 77.185 -6.043 0.248 1.00 0.00 C ATOM 217 O GLY A 14 77.902 -5.618 1.132 1.00 0.00 O ATOM 0 H GLY A 14 79.485 -5.035 -1.576 1.00 0.00 H new ATOM 0 HA2 GLY A 14 77.180 -4.832 -1.541 1.00 0.00 H new ATOM 0 HA3 GLY A 14 77.017 -6.550 -1.846 1.00 0.00 H new ATOM 221 N SER A 15 76.096 -6.711 0.528 1.00 0.00 N ATOM 222 CA SER A 15 75.736 -6.954 1.955 1.00 0.00 C ATOM 223 C SER A 15 76.514 -8.164 2.468 1.00 0.00 C ATOM 224 O SER A 15 76.409 -9.251 1.934 1.00 0.00 O ATOM 225 CB SER A 15 74.233 -7.222 2.088 1.00 0.00 C ATOM 226 OG SER A 15 73.513 -6.044 1.750 1.00 0.00 O ATOM 0 H SER A 15 75.448 -7.094 -0.160 1.00 0.00 H new ATOM 0 HA SER A 15 75.989 -6.071 2.542 1.00 0.00 H new ATOM 0 HB2 SER A 15 73.939 -8.042 1.433 1.00 0.00 H new ATOM 0 HB3 SER A 15 73.995 -7.527 3.107 1.00 0.00 H new ATOM 0 HG SER A 15 73.690 -5.349 2.418 1.00 0.00 H new ATOM 232 N SER A 16 77.299 -7.985 3.495 1.00 0.00 N ATOM 233 CA SER A 16 78.091 -9.128 4.033 1.00 0.00 C ATOM 234 C SER A 16 78.129 -9.070 5.557 1.00 0.00 C ATOM 235 O SER A 16 78.133 -8.006 6.145 1.00 0.00 O ATOM 236 CB SER A 16 79.522 -9.038 3.511 1.00 0.00 C ATOM 237 OG SER A 16 80.287 -10.102 4.063 1.00 0.00 O ATOM 0 H SER A 16 77.426 -7.099 3.984 1.00 0.00 H new ATOM 0 HA SER A 16 77.625 -10.060 3.713 1.00 0.00 H new ATOM 0 HB2 SER A 16 79.529 -9.095 2.423 1.00 0.00 H new ATOM 0 HB3 SER A 16 79.962 -8.078 3.783 1.00 0.00 H new ATOM 0 HG SER A 16 81.207 -10.050 3.730 1.00 0.00 H new ATOM 243 N ASN A 17 78.184 -10.200 6.206 1.00 0.00 N ATOM 244 CA ASN A 17 78.252 -10.188 7.689 1.00 0.00 C ATOM 245 C ASN A 17 79.660 -9.759 8.114 1.00 0.00 C ATOM 246 O ASN A 17 80.650 -10.212 7.572 1.00 0.00 O ATOM 247 CB ASN A 17 77.934 -11.584 8.236 1.00 0.00 C ATOM 248 CG ASN A 17 77.786 -11.516 9.759 1.00 0.00 C ATOM 249 OD1 ASN A 17 77.980 -10.379 10.374 1.00 0.00 O flip ATOM 250 ND2 ASN A 17 77.494 -12.509 10.395 1.00 0.00 N flip ATOM 0 H ASN A 17 78.185 -11.124 5.775 1.00 0.00 H new ATOM 0 HA ASN A 17 77.521 -9.486 8.090 1.00 0.00 H new ATOM 0 HB2 ASN A 17 77.015 -11.961 7.787 1.00 0.00 H new ATOM 0 HB3 ASN A 17 78.728 -12.281 7.968 1.00 0.00 H new ATOM 0 HD21 ASN A 17 77.343 -13.396 9.915 1.00 0.00 H new ATOM 0 HD22 ASN A 17 77.400 -12.456 11.409 1.00 0.00 H new ATOM 257 N ARG A 18 79.750 -8.868 9.063 1.00 0.00 N ATOM 258 CA ARG A 18 81.082 -8.384 9.525 1.00 0.00 C ATOM 259 C ARG A 18 81.908 -9.558 10.045 1.00 0.00 C ATOM 260 O ARG A 18 83.116 -9.577 9.908 1.00 0.00 O ATOM 261 CB ARG A 18 80.884 -7.324 10.613 1.00 0.00 C ATOM 262 CG ARG A 18 80.503 -5.999 9.947 1.00 0.00 C ATOM 263 CD ARG A 18 79.701 -5.130 10.919 1.00 0.00 C ATOM 264 NE ARG A 18 80.367 -5.111 12.257 1.00 0.00 N ATOM 265 CZ ARG A 18 79.980 -4.247 13.159 1.00 0.00 C ATOM 266 NH1 ARG A 18 79.054 -3.377 12.860 1.00 0.00 N ATOM 267 NH2 ARG A 18 80.517 -4.246 14.350 1.00 0.00 N ATOM 0 H ARG A 18 78.952 -8.451 9.542 1.00 0.00 H new ATOM 0 HA ARG A 18 81.623 -7.933 8.693 1.00 0.00 H new ATOM 0 HB2 ARG A 18 80.103 -7.636 11.306 1.00 0.00 H new ATOM 0 HB3 ARG A 18 81.798 -7.205 11.195 1.00 0.00 H new ATOM 0 HG2 ARG A 18 81.403 -5.470 9.632 1.00 0.00 H new ATOM 0 HG3 ARG A 18 79.915 -6.191 9.049 1.00 0.00 H new ATOM 0 HD2 ARG A 18 79.619 -4.115 10.530 1.00 0.00 H new ATOM 0 HD3 ARG A 18 78.687 -5.517 11.014 1.00 0.00 H new ATOM 0 HE ARG A 18 81.119 -5.768 12.465 1.00 0.00 H new ATOM 0 HH11 ARG A 18 78.638 -3.375 11.929 1.00 0.00 H new ATOM 0 HH12 ARG A 18 78.746 -2.700 13.558 1.00 0.00 H new ATOM 0 HH21 ARG A 18 81.244 -4.923 14.582 1.00 0.00 H new ATOM 0 HH22 ARG A 18 80.209 -3.569 15.048 1.00 0.00 H new ATOM 281 N ASN A 19 81.284 -10.543 10.632 1.00 0.00 N ATOM 282 CA ASN A 19 82.075 -11.702 11.124 1.00 0.00 C ATOM 283 C ASN A 19 82.803 -12.332 9.932 1.00 0.00 C ATOM 284 O ASN A 19 83.983 -12.620 9.992 1.00 0.00 O ATOM 285 CB ASN A 19 81.155 -12.743 11.762 1.00 0.00 C ATOM 286 CG ASN A 19 80.382 -13.468 10.663 1.00 0.00 C ATOM 287 OD1 ASN A 19 79.890 -12.850 9.744 1.00 0.00 O ATOM 288 ND2 ASN A 19 80.273 -14.767 10.709 1.00 0.00 N ATOM 0 H ASN A 19 80.278 -10.595 10.790 1.00 0.00 H new ATOM 0 HA ASN A 19 82.789 -11.363 11.874 1.00 0.00 H new ATOM 0 HB2 ASN A 19 81.740 -13.456 12.343 1.00 0.00 H new ATOM 0 HB3 ASN A 19 80.463 -12.261 12.453 1.00 0.00 H new ATOM 0 HD21 ASN A 19 79.773 -15.263 9.971 1.00 0.00 H new ATOM 0 HD22 ASN A 19 80.687 -15.286 11.483 1.00 0.00 H new ATOM 295 N LYS A 20 82.109 -12.537 8.838 1.00 0.00 N ATOM 296 CA LYS A 20 82.769 -13.135 7.640 1.00 0.00 C ATOM 297 C LYS A 20 83.839 -12.171 7.127 1.00 0.00 C ATOM 298 O LYS A 20 84.914 -12.568 6.728 1.00 0.00 O ATOM 299 CB LYS A 20 81.731 -13.378 6.541 1.00 0.00 C ATOM 300 CG LYS A 20 82.390 -14.112 5.374 1.00 0.00 C ATOM 301 CD LYS A 20 81.332 -14.422 4.317 1.00 0.00 C ATOM 302 CE LYS A 20 81.894 -14.157 2.920 1.00 0.00 C ATOM 303 NZ LYS A 20 80.867 -14.517 1.901 1.00 0.00 N ATOM 0 H LYS A 20 81.119 -12.317 8.725 1.00 0.00 H new ATOM 0 HA LYS A 20 83.227 -14.086 7.913 1.00 0.00 H new ATOM 0 HB2 LYS A 20 80.901 -13.966 6.933 1.00 0.00 H new ATOM 0 HB3 LYS A 20 81.316 -12.429 6.201 1.00 0.00 H new ATOM 0 HG2 LYS A 20 83.183 -13.500 4.944 1.00 0.00 H new ATOM 0 HG3 LYS A 20 82.854 -15.034 5.724 1.00 0.00 H new ATOM 0 HD2 LYS A 20 81.017 -15.462 4.400 1.00 0.00 H new ATOM 0 HD3 LYS A 20 80.448 -13.807 4.485 1.00 0.00 H new ATOM 0 HE2 LYS A 20 82.171 -13.108 2.820 1.00 0.00 H new ATOM 0 HE3 LYS A 20 82.800 -14.742 2.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 81.245 -14.338 0.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 80.624 -15.524 1.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 80.014 -13.940 2.049 1.00 0.00 H new ATOM 317 N ALA A 21 83.551 -10.900 7.142 1.00 0.00 N ATOM 318 CA ALA A 21 84.545 -9.900 6.663 1.00 0.00 C ATOM 319 C ALA A 21 85.813 -10.003 7.520 1.00 0.00 C ATOM 320 O ALA A 21 86.918 -9.873 7.026 1.00 0.00 O ATOM 321 CB ALA A 21 83.944 -8.500 6.791 1.00 0.00 C ATOM 0 H ALA A 21 82.667 -10.509 7.467 1.00 0.00 H new ATOM 0 HA ALA A 21 84.798 -10.091 5.620 1.00 0.00 H new ATOM 0 HB1 ALA A 21 84.665 -7.761 6.442 1.00 0.00 H new ATOM 0 HB2 ALA A 21 83.039 -8.436 6.187 1.00 0.00 H new ATOM 0 HB3 ALA A 21 83.699 -8.303 7.835 1.00 0.00 H new ATOM 327 N GLU A 22 85.670 -10.256 8.797 1.00 0.00 N ATOM 328 CA GLU A 22 86.875 -10.387 9.665 1.00 0.00 C ATOM 329 C GLU A 22 87.749 -11.490 9.080 1.00 0.00 C ATOM 330 O GLU A 22 88.955 -11.369 9.013 1.00 0.00 O ATOM 331 CB GLU A 22 86.459 -10.760 11.095 1.00 0.00 C ATOM 332 CG GLU A 22 85.760 -9.570 11.758 1.00 0.00 C ATOM 333 CD GLU A 22 85.210 -9.999 13.118 1.00 0.00 C ATOM 334 OE1 GLU A 22 85.350 -11.165 13.452 1.00 0.00 O ATOM 335 OE2 GLU A 22 84.660 -9.154 13.806 1.00 0.00 O ATOM 0 H GLU A 22 84.775 -10.377 9.272 1.00 0.00 H new ATOM 0 HA GLU A 22 87.418 -9.443 9.702 1.00 0.00 H new ATOM 0 HB2 GLU A 22 85.792 -11.622 11.076 1.00 0.00 H new ATOM 0 HB3 GLU A 22 87.336 -11.048 11.675 1.00 0.00 H new ATOM 0 HG2 GLU A 22 86.461 -8.744 11.881 1.00 0.00 H new ATOM 0 HG3 GLU A 22 84.951 -9.209 11.123 1.00 0.00 H new ATOM 342 N ASN A 23 87.144 -12.554 8.626 1.00 0.00 N ATOM 343 CA ASN A 23 87.938 -13.651 8.008 1.00 0.00 C ATOM 344 C ASN A 23 88.681 -13.083 6.801 1.00 0.00 C ATOM 345 O ASN A 23 89.853 -13.323 6.597 1.00 0.00 O ATOM 346 CB ASN A 23 86.997 -14.762 7.531 1.00 0.00 C ATOM 347 CG ASN A 23 86.463 -15.538 8.735 1.00 0.00 C ATOM 348 OD1 ASN A 23 87.063 -15.532 9.790 1.00 0.00 O ATOM 349 ND2 ASN A 23 85.346 -16.208 8.623 1.00 0.00 N ATOM 0 H ASN A 23 86.136 -12.710 8.657 1.00 0.00 H new ATOM 0 HA ASN A 23 88.639 -14.058 8.736 1.00 0.00 H new ATOM 0 HB2 ASN A 23 86.169 -14.333 6.967 1.00 0.00 H new ATOM 0 HB3 ASN A 23 87.527 -15.436 6.858 1.00 0.00 H new ATOM 0 HD21 ASN A 23 84.979 -16.725 9.422 1.00 0.00 H new ATOM 0 HD22 ASN A 23 84.841 -16.213 7.737 1.00 0.00 H new ATOM 356 N LEU A 24 87.996 -12.311 6.005 1.00 0.00 N ATOM 357 CA LEU A 24 88.633 -11.702 4.810 1.00 0.00 C ATOM 358 C LEU A 24 89.699 -10.706 5.260 1.00 0.00 C ATOM 359 O LEU A 24 90.700 -10.514 4.601 1.00 0.00 O ATOM 360 CB LEU A 24 87.557 -10.985 4.000 1.00 0.00 C ATOM 361 CG LEU A 24 86.631 -12.034 3.383 1.00 0.00 C ATOM 362 CD1 LEU A 24 85.443 -11.348 2.706 1.00 0.00 C ATOM 363 CD2 LEU A 24 87.406 -12.853 2.348 1.00 0.00 C ATOM 0 H LEU A 24 87.012 -12.075 6.135 1.00 0.00 H new ATOM 0 HA LEU A 24 89.103 -12.470 4.196 1.00 0.00 H new ATOM 0 HB2 LEU A 24 86.990 -10.309 4.640 1.00 0.00 H new ATOM 0 HB3 LEU A 24 88.014 -10.377 3.219 1.00 0.00 H new ATOM 0 HG LEU A 24 86.262 -12.693 4.169 1.00 0.00 H new ATOM 0 HD11 LEU A 24 84.788 -12.102 2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 24 84.888 -10.769 3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 24 85.805 -10.683 1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 24 86.746 -13.601 1.908 1.00 0.00 H new ATOM 0 HD22 LEU A 24 87.778 -12.192 1.565 1.00 0.00 H new ATOM 0 HD23 LEU A 24 88.246 -13.350 2.833 1.00 0.00 H new ATOM 375 N LEU A 25 89.496 -10.069 6.385 1.00 0.00 N ATOM 376 CA LEU A 25 90.507 -9.084 6.869 1.00 0.00 C ATOM 377 C LEU A 25 91.511 -9.787 7.775 1.00 0.00 C ATOM 378 O LEU A 25 92.471 -9.202 8.234 1.00 0.00 O ATOM 379 CB LEU A 25 89.808 -7.991 7.666 1.00 0.00 C ATOM 380 CG LEU A 25 88.867 -7.209 6.746 1.00 0.00 C ATOM 381 CD1 LEU A 25 87.687 -6.673 7.557 1.00 0.00 C ATOM 382 CD2 LEU A 25 89.618 -6.038 6.108 1.00 0.00 C ATOM 0 H LEU A 25 88.680 -10.188 6.985 1.00 0.00 H new ATOM 0 HA LEU A 25 91.023 -8.649 6.013 1.00 0.00 H new ATOM 0 HB2 LEU A 25 89.246 -8.430 8.490 1.00 0.00 H new ATOM 0 HB3 LEU A 25 90.545 -7.319 8.106 1.00 0.00 H new ATOM 0 HG LEU A 25 88.501 -7.872 5.962 1.00 0.00 H new ATOM 0 HD11 LEU A 25 87.018 -6.116 6.901 1.00 0.00 H new ATOM 0 HD12 LEU A 25 87.146 -7.506 8.006 1.00 0.00 H new ATOM 0 HD13 LEU A 25 88.055 -6.014 8.343 1.00 0.00 H new ATOM 0 HD21 LEU A 25 88.943 -5.486 5.454 1.00 0.00 H new ATOM 0 HD22 LEU A 25 89.990 -5.375 6.889 1.00 0.00 H new ATOM 0 HD23 LEU A 25 90.457 -6.418 5.525 1.00 0.00 H new ATOM 394 N ARG A 26 91.291 -11.039 8.037 1.00 0.00 N ATOM 395 CA ARG A 26 92.210 -11.792 8.906 1.00 0.00 C ATOM 396 C ARG A 26 93.276 -12.454 8.028 1.00 0.00 C ATOM 397 O ARG A 26 92.969 -13.165 7.091 1.00 0.00 O ATOM 398 CB ARG A 26 91.374 -12.823 9.686 1.00 0.00 C ATOM 399 CG ARG A 26 92.097 -14.158 9.767 1.00 0.00 C ATOM 400 CD ARG A 26 93.373 -14.003 10.593 1.00 0.00 C ATOM 401 NE ARG A 26 94.219 -15.214 10.422 1.00 0.00 N ATOM 402 CZ ARG A 26 95.458 -15.195 10.825 1.00 0.00 C ATOM 403 NH1 ARG A 26 95.931 -14.124 11.400 1.00 0.00 N ATOM 404 NH2 ARG A 26 96.221 -16.240 10.656 1.00 0.00 N ATOM 0 H ARG A 26 90.501 -11.575 7.678 1.00 0.00 H new ATOM 0 HA ARG A 26 92.723 -11.149 9.621 1.00 0.00 H new ATOM 0 HB2 ARG A 26 91.176 -12.451 10.691 1.00 0.00 H new ATOM 0 HB3 ARG A 26 90.408 -12.957 9.199 1.00 0.00 H new ATOM 0 HG2 ARG A 26 91.448 -14.907 10.220 1.00 0.00 H new ATOM 0 HG3 ARG A 26 92.341 -14.512 8.765 1.00 0.00 H new ATOM 0 HD2 ARG A 26 93.920 -13.115 10.275 1.00 0.00 H new ATOM 0 HD3 ARG A 26 93.124 -13.865 11.645 1.00 0.00 H new ATOM 0 HE ARG A 26 93.832 -16.054 9.992 1.00 0.00 H new ATOM 0 HH11 ARG A 26 95.332 -13.309 11.532 1.00 0.00 H new ATOM 0 HH12 ARG A 26 96.900 -14.102 11.718 1.00 0.00 H new ATOM 0 HH21 ARG A 26 95.848 -17.076 10.207 1.00 0.00 H new ATOM 0 HH22 ARG A 26 97.190 -16.220 10.973 1.00 0.00 H new ATOM 418 N GLY A 27 94.527 -12.215 8.317 1.00 0.00 N ATOM 419 CA GLY A 27 95.614 -12.819 7.497 1.00 0.00 C ATOM 420 C GLY A 27 95.645 -12.158 6.118 1.00 0.00 C ATOM 421 O GLY A 27 96.101 -12.740 5.152 1.00 0.00 O ATOM 0 H GLY A 27 94.843 -11.626 9.088 1.00 0.00 H new ATOM 0 HA2 GLY A 27 96.575 -12.689 7.996 1.00 0.00 H new ATOM 0 HA3 GLY A 27 95.452 -13.892 7.393 1.00 0.00 H new ATOM 425 N LYS A 28 95.166 -10.947 6.013 1.00 0.00 N ATOM 426 CA LYS A 28 95.179 -10.257 4.692 1.00 0.00 C ATOM 427 C LYS A 28 96.265 -9.171 4.715 1.00 0.00 C ATOM 428 O LYS A 28 96.465 -8.498 5.708 1.00 0.00 O ATOM 429 CB LYS A 28 93.797 -9.635 4.425 1.00 0.00 C ATOM 430 CG LYS A 28 93.626 -9.325 2.926 1.00 0.00 C ATOM 431 CD LYS A 28 93.268 -10.607 2.164 1.00 0.00 C ATOM 432 CE LYS A 28 93.130 -10.296 0.674 1.00 0.00 C ATOM 433 NZ LYS A 28 92.965 -11.568 -0.074 1.00 0.00 N ATOM 0 H LYS A 28 94.768 -10.408 6.782 1.00 0.00 H new ATOM 0 HA LYS A 28 95.398 -10.967 3.895 1.00 0.00 H new ATOM 0 HB2 LYS A 28 93.014 -10.319 4.753 1.00 0.00 H new ATOM 0 HB3 LYS A 28 93.685 -8.720 5.007 1.00 0.00 H new ATOM 0 HG2 LYS A 28 92.844 -8.579 2.787 1.00 0.00 H new ATOM 0 HG3 LYS A 28 94.547 -8.900 2.527 1.00 0.00 H new ATOM 0 HD2 LYS A 28 94.039 -11.361 2.318 1.00 0.00 H new ATOM 0 HD3 LYS A 28 92.336 -11.022 2.547 1.00 0.00 H new ATOM 0 HE2 LYS A 28 92.272 -9.645 0.503 1.00 0.00 H new ATOM 0 HE3 LYS A 28 94.011 -9.762 0.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 92.870 -11.364 -1.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 93.797 -12.173 0.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 92.112 -12.060 0.261 1.00 0.00 H new ATOM 447 N ARG A 29 96.983 -9.019 3.637 1.00 0.00 N ATOM 448 CA ARG A 29 98.082 -8.003 3.590 1.00 0.00 C ATOM 449 C ARG A 29 97.509 -6.579 3.548 1.00 0.00 C ATOM 450 O ARG A 29 96.447 -6.331 3.013 1.00 0.00 O ATOM 451 CB ARG A 29 98.946 -8.232 2.346 1.00 0.00 C ATOM 452 CG ARG A 29 99.642 -9.594 2.436 1.00 0.00 C ATOM 453 CD ARG A 29 100.764 -9.657 1.397 1.00 0.00 C ATOM 454 NE ARG A 29 101.499 -10.948 1.529 1.00 0.00 N ATOM 455 CZ ARG A 29 102.301 -11.344 0.575 1.00 0.00 C ATOM 456 NH1 ARG A 29 102.430 -10.620 -0.504 1.00 0.00 N ATOM 457 NH2 ARG A 29 102.958 -12.469 0.693 1.00 0.00 N ATOM 0 H ARG A 29 96.858 -9.556 2.779 1.00 0.00 H new ATOM 0 HA ARG A 29 98.687 -8.114 4.490 1.00 0.00 H new ATOM 0 HB2 ARG A 29 98.327 -8.189 1.450 1.00 0.00 H new ATOM 0 HB3 ARG A 29 99.689 -7.439 2.258 1.00 0.00 H new ATOM 0 HG2 ARG A 29 100.048 -9.743 3.437 1.00 0.00 H new ATOM 0 HG3 ARG A 29 98.924 -10.395 2.262 1.00 0.00 H new ATOM 0 HD2 ARG A 29 100.349 -9.565 0.393 1.00 0.00 H new ATOM 0 HD3 ARG A 29 101.450 -8.821 1.537 1.00 0.00 H new ATOM 0 HE ARG A 29 101.376 -11.522 2.363 1.00 0.00 H new ATOM 0 HH11 ARG A 29 101.906 -9.750 -0.600 1.00 0.00 H new ATOM 0 HH12 ARG A 29 103.054 -10.925 -1.251 1.00 0.00 H new ATOM 0 HH21 ARG A 29 102.845 -13.040 1.531 1.00 0.00 H new ATOM 0 HH22 ARG A 29 103.583 -12.775 -0.053 1.00 0.00 H new ATOM 471 N ASP A 30 98.231 -5.645 4.110 1.00 0.00 N ATOM 472 CA ASP A 30 97.783 -4.222 4.127 1.00 0.00 C ATOM 473 C ASP A 30 97.584 -3.718 2.699 1.00 0.00 C ATOM 474 O ASP A 30 98.306 -4.081 1.791 1.00 0.00 O ATOM 475 CB ASP A 30 98.861 -3.386 4.809 1.00 0.00 C ATOM 476 CG ASP A 30 98.353 -1.959 4.998 1.00 0.00 C ATOM 477 OD1 ASP A 30 97.237 -1.692 4.590 1.00 0.00 O ATOM 478 OD2 ASP A 30 99.089 -1.160 5.550 1.00 0.00 O ATOM 0 H ASP A 30 99.128 -5.812 4.566 1.00 0.00 H new ATOM 0 HA ASP A 30 96.838 -4.140 4.665 1.00 0.00 H new ATOM 0 HB2 ASP A 30 99.119 -3.823 5.774 1.00 0.00 H new ATOM 0 HB3 ASP A 30 99.770 -3.383 4.207 1.00 0.00 H new ATOM 483 N GLY A 31 96.603 -2.884 2.494 1.00 0.00 N ATOM 484 CA GLY A 31 96.349 -2.355 1.128 1.00 0.00 C ATOM 485 C GLY A 31 95.128 -3.049 0.537 1.00 0.00 C ATOM 486 O GLY A 31 94.456 -2.514 -0.321 1.00 0.00 O ATOM 0 H GLY A 31 95.966 -2.546 3.216 1.00 0.00 H new ATOM 0 HA2 GLY A 31 96.186 -1.278 1.167 1.00 0.00 H new ATOM 0 HA3 GLY A 31 97.219 -2.522 0.493 1.00 0.00 H new ATOM 490 N THR A 32 94.821 -4.230 0.989 1.00 0.00 N ATOM 491 CA THR A 32 93.630 -4.925 0.436 1.00 0.00 C ATOM 492 C THR A 32 92.378 -4.398 1.128 1.00 0.00 C ATOM 493 O THR A 32 92.284 -4.419 2.340 1.00 0.00 O ATOM 494 CB THR A 32 93.741 -6.428 0.676 1.00 0.00 C ATOM 495 OG1 THR A 32 94.928 -6.917 0.068 1.00 0.00 O ATOM 496 CG2 THR A 32 92.523 -7.122 0.061 1.00 0.00 C ATOM 0 H THR A 32 95.336 -4.739 1.708 1.00 0.00 H new ATOM 0 HA THR A 32 93.572 -4.738 -0.636 1.00 0.00 H new ATOM 0 HB THR A 32 93.777 -6.631 1.746 1.00 0.00 H new ATOM 0 HG1 THR A 32 95.085 -7.841 0.354 1.00 0.00 H new ATOM 0 HG21 THR A 32 92.594 -8.197 0.228 1.00 0.00 H new ATOM 0 HG22 THR A 32 91.614 -6.742 0.527 1.00 0.00 H new ATOM 0 HG23 THR A 32 92.493 -6.922 -1.010 1.00 0.00 H new ATOM 504 N PHE A 33 91.412 -3.918 0.389 1.00 0.00 N ATOM 505 CA PHE A 33 90.196 -3.398 1.073 1.00 0.00 C ATOM 506 C PHE A 33 88.924 -3.780 0.324 1.00 0.00 C ATOM 507 O PHE A 33 88.947 -4.174 -0.825 1.00 0.00 O ATOM 508 CB PHE A 33 90.277 -1.876 1.191 1.00 0.00 C ATOM 509 CG PHE A 33 89.553 -1.199 0.050 1.00 0.00 C ATOM 510 CD1 PHE A 33 90.090 -1.189 -1.245 1.00 0.00 C ATOM 511 CD2 PHE A 33 88.338 -0.556 0.303 1.00 0.00 C ATOM 512 CE1 PHE A 33 89.405 -0.530 -2.277 1.00 0.00 C ATOM 513 CE2 PHE A 33 87.660 0.096 -0.730 1.00 0.00 C ATOM 514 CZ PHE A 33 88.191 0.111 -2.013 1.00 0.00 C ATOM 0 H PHE A 33 91.411 -3.864 -0.630 1.00 0.00 H new ATOM 0 HA PHE A 33 90.156 -3.848 2.065 1.00 0.00 H new ATOM 0 HB2 PHE A 33 89.843 -1.559 2.139 1.00 0.00 H new ATOM 0 HB3 PHE A 33 91.321 -1.564 1.198 1.00 0.00 H new ATOM 0 HD1 PHE A 33 91.027 -1.686 -1.447 1.00 0.00 H new ATOM 0 HD2 PHE A 33 87.922 -0.563 1.300 1.00 0.00 H new ATOM 0 HE1 PHE A 33 89.816 -0.518 -3.276 1.00 0.00 H new ATOM 0 HE2 PHE A 33 86.720 0.590 -0.530 1.00 0.00 H new ATOM 0 HZ PHE A 33 87.665 0.619 -2.808 1.00 0.00 H new ATOM 524 N LEU A 34 87.804 -3.642 0.991 1.00 0.00 N ATOM 525 CA LEU A 34 86.491 -3.970 0.360 1.00 0.00 C ATOM 526 C LEU A 34 85.461 -2.890 0.719 1.00 0.00 C ATOM 527 O LEU A 34 85.591 -2.201 1.709 1.00 0.00 O ATOM 528 CB LEU A 34 85.985 -5.331 0.865 1.00 0.00 C ATOM 529 CG LEU A 34 85.765 -5.292 2.389 1.00 0.00 C ATOM 530 CD1 LEU A 34 84.647 -6.269 2.780 1.00 0.00 C ATOM 531 CD2 LEU A 34 87.063 -5.694 3.102 1.00 0.00 C ATOM 0 H LEU A 34 87.745 -3.313 1.955 1.00 0.00 H new ATOM 0 HA LEU A 34 86.624 -4.012 -0.721 1.00 0.00 H new ATOM 0 HB2 LEU A 34 85.052 -5.588 0.363 1.00 0.00 H new ATOM 0 HB3 LEU A 34 86.706 -6.109 0.615 1.00 0.00 H new ATOM 0 HG LEU A 34 85.480 -4.282 2.684 1.00 0.00 H new ATOM 0 HD11 LEU A 34 84.496 -6.237 3.859 1.00 0.00 H new ATOM 0 HD12 LEU A 34 83.723 -5.985 2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 34 84.927 -7.280 2.483 1.00 0.00 H new ATOM 0 HD21 LEU A 34 86.909 -5.667 4.181 1.00 0.00 H new ATOM 0 HD22 LEU A 34 87.346 -6.703 2.801 1.00 0.00 H new ATOM 0 HD23 LEU A 34 87.857 -4.998 2.831 1.00 0.00 H new ATOM 543 N VAL A 35 84.433 -2.747 -0.078 1.00 0.00 N ATOM 544 CA VAL A 35 83.389 -1.720 0.213 1.00 0.00 C ATOM 545 C VAL A 35 82.077 -2.402 0.630 1.00 0.00 C ATOM 546 O VAL A 35 81.627 -3.351 0.017 1.00 0.00 O ATOM 547 CB VAL A 35 83.151 -0.852 -1.035 1.00 0.00 C ATOM 548 CG1 VAL A 35 81.924 0.040 -0.823 1.00 0.00 C ATOM 549 CG2 VAL A 35 84.367 0.040 -1.269 1.00 0.00 C ATOM 0 H VAL A 35 84.272 -3.299 -0.920 1.00 0.00 H new ATOM 0 HA VAL A 35 83.734 -1.088 1.031 1.00 0.00 H new ATOM 0 HB VAL A 35 82.989 -1.503 -1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 35 81.761 0.652 -1.710 1.00 0.00 H new ATOM 0 HG12 VAL A 35 81.047 -0.583 -0.646 1.00 0.00 H new ATOM 0 HG13 VAL A 35 82.089 0.687 0.039 1.00 0.00 H new ATOM 0 HG21 VAL A 35 84.201 0.656 -2.153 1.00 0.00 H new ATOM 0 HG22 VAL A 35 84.519 0.683 -0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 35 85.250 -0.581 -1.420 1.00 0.00 H new ATOM 559 N ARG A 36 81.461 -1.911 1.679 1.00 0.00 N ATOM 560 CA ARG A 36 80.174 -2.501 2.159 1.00 0.00 C ATOM 561 C ARG A 36 79.159 -1.390 2.361 1.00 0.00 C ATOM 562 O ARG A 36 79.442 -0.228 2.144 1.00 0.00 O ATOM 563 CB ARG A 36 80.379 -3.198 3.496 1.00 0.00 C ATOM 564 CG ARG A 36 81.194 -4.458 3.274 1.00 0.00 C ATOM 565 CD ARG A 36 81.312 -5.228 4.584 1.00 0.00 C ATOM 566 NE ARG A 36 81.824 -4.307 5.638 1.00 0.00 N ATOM 567 CZ ARG A 36 81.829 -4.688 6.881 1.00 0.00 C ATOM 568 NH1 ARG A 36 81.486 -5.911 7.178 1.00 0.00 N ATOM 569 NH2 ARG A 36 82.201 -3.858 7.822 1.00 0.00 N ATOM 0 H ARG A 36 81.799 -1.120 2.227 1.00 0.00 H new ATOM 0 HA ARG A 36 79.823 -3.219 1.417 1.00 0.00 H new ATOM 0 HB2 ARG A 36 80.893 -2.535 4.192 1.00 0.00 H new ATOM 0 HB3 ARG A 36 79.416 -3.446 3.943 1.00 0.00 H new ATOM 0 HG2 ARG A 36 80.720 -5.081 2.516 1.00 0.00 H new ATOM 0 HG3 ARG A 36 82.185 -4.201 2.901 1.00 0.00 H new ATOM 0 HD2 ARG A 36 80.341 -5.631 4.874 1.00 0.00 H new ATOM 0 HD3 ARG A 36 81.986 -6.076 4.464 1.00 0.00 H new ATOM 0 HE ARG A 36 82.169 -3.381 5.385 1.00 0.00 H new ATOM 0 HH11 ARG A 36 81.217 -6.559 6.438 1.00 0.00 H new ATOM 0 HH12 ARG A 36 81.487 -6.219 8.150 1.00 0.00 H new ATOM 0 HH21 ARG A 36 82.488 -2.909 7.581 1.00 0.00 H new ATOM 0 HH22 ARG A 36 82.204 -4.160 8.796 1.00 0.00 H new ATOM 583 N GLU A 37 77.977 -1.729 2.790 1.00 0.00 N ATOM 584 CA GLU A 37 76.955 -0.693 3.016 1.00 0.00 C ATOM 585 C GLU A 37 76.800 -0.468 4.514 1.00 0.00 C ATOM 586 O GLU A 37 77.338 -1.198 5.318 1.00 0.00 O ATOM 587 CB GLU A 37 75.626 -1.169 2.428 1.00 0.00 C ATOM 588 CG GLU A 37 75.289 -2.561 2.974 1.00 0.00 C ATOM 589 CD GLU A 37 73.809 -2.861 2.722 1.00 0.00 C ATOM 590 OE1 GLU A 37 73.091 -1.939 2.373 1.00 0.00 O ATOM 591 OE2 GLU A 37 73.420 -4.006 2.884 1.00 0.00 O ATOM 0 H GLU A 37 77.681 -2.684 2.992 1.00 0.00 H new ATOM 0 HA GLU A 37 77.253 0.239 2.537 1.00 0.00 H new ATOM 0 HB2 GLU A 37 74.832 -0.466 2.682 1.00 0.00 H new ATOM 0 HB3 GLU A 37 75.689 -1.200 1.340 1.00 0.00 H new ATOM 0 HG2 GLU A 37 75.912 -3.314 2.491 1.00 0.00 H new ATOM 0 HG3 GLU A 37 75.504 -2.607 4.042 1.00 0.00 H new ATOM 677 N TYR A 44 77.648 4.077 2.661 1.00 0.00 N ATOM 678 CA TYR A 44 78.665 3.084 2.211 1.00 0.00 C ATOM 679 C TYR A 44 79.872 3.119 3.156 1.00 0.00 C ATOM 680 O TYR A 44 80.091 4.082 3.863 1.00 0.00 O ATOM 681 CB TYR A 44 79.106 3.440 0.788 1.00 0.00 C ATOM 682 CG TYR A 44 77.903 3.414 -0.125 1.00 0.00 C ATOM 683 CD1 TYR A 44 77.140 4.574 -0.308 1.00 0.00 C ATOM 684 CD2 TYR A 44 77.547 2.233 -0.787 1.00 0.00 C ATOM 685 CE1 TYR A 44 76.021 4.554 -1.152 1.00 0.00 C ATOM 686 CE2 TYR A 44 76.429 2.211 -1.631 1.00 0.00 C ATOM 687 CZ TYR A 44 75.666 3.371 -1.815 1.00 0.00 C ATOM 688 OH TYR A 44 74.563 3.347 -2.646 1.00 0.00 O ATOM 0 HA TYR A 44 78.237 2.081 2.223 1.00 0.00 H new ATOM 0 HB2 TYR A 44 79.567 4.427 0.774 1.00 0.00 H new ATOM 0 HB3 TYR A 44 79.858 2.732 0.439 1.00 0.00 H new ATOM 0 HD1 TYR A 44 77.414 5.486 0.202 1.00 0.00 H new ATOM 0 HD2 TYR A 44 78.135 1.338 -0.647 1.00 0.00 H new ATOM 0 HE1 TYR A 44 75.433 5.449 -1.291 1.00 0.00 H new ATOM 0 HE2 TYR A 44 76.155 1.299 -2.140 1.00 0.00 H new ATOM 0 HH TYR A 44 74.460 2.450 -3.027 1.00 0.00 H new ATOM 698 N ALA A 45 80.646 2.065 3.186 1.00 0.00 N ATOM 699 CA ALA A 45 81.831 2.028 4.092 1.00 0.00 C ATOM 700 C ALA A 45 82.954 1.210 3.441 1.00 0.00 C ATOM 701 O ALA A 45 82.734 0.123 2.946 1.00 0.00 O ATOM 702 CB ALA A 45 81.430 1.380 5.420 1.00 0.00 C ATOM 0 H ALA A 45 80.508 1.227 2.621 1.00 0.00 H new ATOM 0 HA ALA A 45 82.184 3.043 4.271 1.00 0.00 H new ATOM 0 HB1 ALA A 45 82.293 1.351 6.086 1.00 0.00 H new ATOM 0 HB2 ALA A 45 80.634 1.963 5.883 1.00 0.00 H new ATOM 0 HB3 ALA A 45 81.078 0.365 5.238 1.00 0.00 H new ATOM 708 N CYS A 46 84.159 1.719 3.445 1.00 0.00 N ATOM 709 CA CYS A 46 85.289 0.961 2.836 1.00 0.00 C ATOM 710 C CYS A 46 86.118 0.327 3.949 1.00 0.00 C ATOM 711 O CYS A 46 86.686 1.005 4.779 1.00 0.00 O ATOM 712 CB CYS A 46 86.165 1.905 2.007 1.00 0.00 C ATOM 713 SG CYS A 46 86.832 3.208 3.073 1.00 0.00 S ATOM 0 H CYS A 46 84.408 2.625 3.843 1.00 0.00 H new ATOM 0 HA CYS A 46 84.897 0.183 2.181 1.00 0.00 H new ATOM 0 HB2 CYS A 46 86.979 1.348 1.543 1.00 0.00 H new ATOM 0 HB3 CYS A 46 85.580 2.346 1.200 1.00 0.00 H new ATOM 0 HG CYS A 46 87.577 4.007 2.368 1.00 0.00 H new ATOM 719 N SER A 47 86.187 -0.975 3.975 1.00 0.00 N ATOM 720 CA SER A 47 86.976 -1.659 5.037 1.00 0.00 C ATOM 721 C SER A 47 88.345 -2.037 4.470 1.00 0.00 C ATOM 722 O SER A 47 88.443 -2.662 3.431 1.00 0.00 O ATOM 723 CB SER A 47 86.237 -2.924 5.479 1.00 0.00 C ATOM 724 OG SER A 47 84.899 -2.590 5.823 1.00 0.00 O ATOM 0 H SER A 47 85.731 -1.595 3.306 1.00 0.00 H new ATOM 0 HA SER A 47 87.103 -0.997 5.894 1.00 0.00 H new ATOM 0 HB2 SER A 47 86.245 -3.663 4.677 1.00 0.00 H new ATOM 0 HB3 SER A 47 86.743 -3.375 6.333 1.00 0.00 H new ATOM 0 HG SER A 47 84.740 -2.806 6.766 1.00 0.00 H new ATOM 730 N VAL A 48 89.402 -1.656 5.134 1.00 0.00 N ATOM 731 CA VAL A 48 90.761 -1.984 4.620 1.00 0.00 C ATOM 732 C VAL A 48 91.594 -2.663 5.704 1.00 0.00 C ATOM 733 O VAL A 48 91.261 -2.639 6.876 1.00 0.00 O ATOM 734 CB VAL A 48 91.470 -0.694 4.194 1.00 0.00 C ATOM 735 CG1 VAL A 48 91.531 0.269 5.378 1.00 0.00 C ATOM 736 CG2 VAL A 48 92.894 -1.011 3.744 1.00 0.00 C ATOM 0 H VAL A 48 89.383 -1.132 6.009 1.00 0.00 H new ATOM 0 HA VAL A 48 90.656 -2.659 3.770 1.00 0.00 H new ATOM 0 HB VAL A 48 90.917 -0.240 3.372 1.00 0.00 H new ATOM 0 HG11 VAL A 48 92.035 1.187 5.075 1.00 0.00 H new ATOM 0 HG12 VAL A 48 90.519 0.503 5.709 1.00 0.00 H new ATOM 0 HG13 VAL A 48 92.082 -0.195 6.196 1.00 0.00 H new ATOM 0 HG21 VAL A 48 93.394 -0.090 3.442 1.00 0.00 H new ATOM 0 HG22 VAL A 48 93.442 -1.468 4.567 1.00 0.00 H new ATOM 0 HG23 VAL A 48 92.864 -1.701 2.901 1.00 0.00 H new ATOM 746 N VAL A 49 92.692 -3.243 5.310 1.00 0.00 N ATOM 747 CA VAL A 49 93.601 -3.903 6.291 1.00 0.00 C ATOM 748 C VAL A 49 94.842 -3.036 6.418 1.00 0.00 C ATOM 749 O VAL A 49 95.338 -2.515 5.440 1.00 0.00 O ATOM 750 CB VAL A 49 94.008 -5.298 5.811 1.00 0.00 C ATOM 751 CG1 VAL A 49 94.718 -6.029 6.951 1.00 0.00 C ATOM 752 CG2 VAL A 49 92.764 -6.079 5.402 1.00 0.00 C ATOM 0 H VAL A 49 93.003 -3.289 4.340 1.00 0.00 H new ATOM 0 HA VAL A 49 93.091 -4.013 7.248 1.00 0.00 H new ATOM 0 HB VAL A 49 94.677 -5.213 4.954 1.00 0.00 H new ATOM 0 HG11 VAL A 49 95.012 -7.024 6.618 1.00 0.00 H new ATOM 0 HG12 VAL A 49 95.605 -5.469 7.246 1.00 0.00 H new ATOM 0 HG13 VAL A 49 94.044 -6.116 7.803 1.00 0.00 H new ATOM 0 HG21 VAL A 49 93.054 -7.072 5.060 1.00 0.00 H new ATOM 0 HG22 VAL A 49 92.094 -6.171 6.257 1.00 0.00 H new ATOM 0 HG23 VAL A 49 92.253 -5.553 4.596 1.00 0.00 H new ATOM 762 N VAL A 50 95.335 -2.848 7.600 1.00 0.00 N ATOM 763 CA VAL A 50 96.522 -1.984 7.747 1.00 0.00 C ATOM 764 C VAL A 50 97.718 -2.800 8.221 1.00 0.00 C ATOM 765 O VAL A 50 97.585 -3.765 8.946 1.00 0.00 O ATOM 766 CB VAL A 50 96.195 -0.880 8.744 1.00 0.00 C ATOM 767 CG1 VAL A 50 97.463 -0.114 9.110 1.00 0.00 C ATOM 768 CG2 VAL A 50 95.193 0.070 8.097 1.00 0.00 C ATOM 0 H VAL A 50 94.971 -3.251 8.463 1.00 0.00 H new ATOM 0 HA VAL A 50 96.782 -1.544 6.784 1.00 0.00 H new ATOM 0 HB VAL A 50 95.775 -1.313 9.652 1.00 0.00 H new ATOM 0 HG11 VAL A 50 97.219 0.673 9.823 1.00 0.00 H new ATOM 0 HG12 VAL A 50 98.185 -0.798 9.557 1.00 0.00 H new ATOM 0 HG13 VAL A 50 97.892 0.330 8.212 1.00 0.00 H new ATOM 0 HG21 VAL A 50 94.945 0.869 8.796 1.00 0.00 H new ATOM 0 HG22 VAL A 50 95.629 0.499 7.195 1.00 0.00 H new ATOM 0 HG23 VAL A 50 94.287 -0.478 7.837 1.00 0.00 H new ATOM 778 N ASP A 51 98.891 -2.404 7.809 1.00 0.00 N ATOM 779 CA ASP A 51 100.120 -3.131 8.214 1.00 0.00 C ATOM 780 C ASP A 51 100.108 -3.299 9.718 1.00 0.00 C ATOM 781 O ASP A 51 100.875 -4.049 10.291 1.00 0.00 O ATOM 782 CB ASP A 51 101.349 -2.317 7.797 1.00 0.00 C ATOM 783 CG ASP A 51 102.609 -3.156 8.008 1.00 0.00 C ATOM 784 OD1 ASP A 51 102.492 -4.230 8.573 1.00 0.00 O ATOM 785 OD2 ASP A 51 103.670 -2.710 7.603 1.00 0.00 O ATOM 0 H ASP A 51 99.048 -1.599 7.203 1.00 0.00 H new ATOM 0 HA ASP A 51 100.156 -4.108 7.732 1.00 0.00 H new ATOM 0 HB2 ASP A 51 101.266 -2.022 6.751 1.00 0.00 H new ATOM 0 HB3 ASP A 51 101.407 -1.400 8.383 1.00 0.00 H new ATOM 790 N GLY A 52 99.239 -2.594 10.358 1.00 0.00 N ATOM 791 CA GLY A 52 99.152 -2.681 11.834 1.00 0.00 C ATOM 792 C GLY A 52 97.954 -3.536 12.249 1.00 0.00 C ATOM 793 O GLY A 52 98.084 -4.444 13.043 1.00 0.00 O ATOM 0 H GLY A 52 98.576 -1.953 9.922 1.00 0.00 H new ATOM 0 HA2 GLY A 52 100.070 -3.112 12.234 1.00 0.00 H new ATOM 0 HA3 GLY A 52 99.058 -1.681 12.258 1.00 0.00 H new ATOM 797 N GLU A 53 96.784 -3.257 11.734 1.00 0.00 N ATOM 798 CA GLU A 53 95.590 -4.063 12.138 1.00 0.00 C ATOM 799 C GLU A 53 94.467 -3.916 11.099 1.00 0.00 C ATOM 800 O GLU A 53 94.612 -3.248 10.092 1.00 0.00 O ATOM 801 CB GLU A 53 95.066 -3.574 13.502 1.00 0.00 C ATOM 802 CG GLU A 53 96.092 -3.821 14.619 1.00 0.00 C ATOM 803 CD GLU A 53 96.477 -5.302 14.668 1.00 0.00 C ATOM 804 OE1 GLU A 53 95.717 -6.108 14.158 1.00 0.00 O ATOM 805 OE2 GLU A 53 97.520 -5.602 15.222 1.00 0.00 O ATOM 0 H GLU A 53 96.603 -2.515 11.058 1.00 0.00 H new ATOM 0 HA GLU A 53 95.890 -5.109 12.205 1.00 0.00 H new ATOM 0 HB2 GLU A 53 94.837 -2.510 13.445 1.00 0.00 H new ATOM 0 HB3 GLU A 53 94.135 -4.088 13.741 1.00 0.00 H new ATOM 0 HG2 GLU A 53 96.980 -3.213 14.448 1.00 0.00 H new ATOM 0 HG3 GLU A 53 95.676 -3.514 15.579 1.00 0.00 H new ATOM 812 N VAL A 54 93.339 -4.532 11.357 1.00 0.00 N ATOM 813 CA VAL A 54 92.176 -4.435 10.416 1.00 0.00 C ATOM 814 C VAL A 54 91.251 -3.302 10.866 1.00 0.00 C ATOM 815 O VAL A 54 90.848 -3.247 12.009 1.00 0.00 O ATOM 816 CB VAL A 54 91.382 -5.745 10.426 1.00 0.00 C ATOM 817 CG1 VAL A 54 91.279 -6.274 11.861 1.00 0.00 C ATOM 818 CG2 VAL A 54 89.972 -5.482 9.883 1.00 0.00 C ATOM 0 H VAL A 54 93.172 -5.103 12.186 1.00 0.00 H new ATOM 0 HA VAL A 54 92.552 -4.241 9.411 1.00 0.00 H new ATOM 0 HB VAL A 54 91.889 -6.482 9.803 1.00 0.00 H new ATOM 0 HG11 VAL A 54 90.714 -7.206 11.866 1.00 0.00 H new ATOM 0 HG12 VAL A 54 92.279 -6.454 12.255 1.00 0.00 H new ATOM 0 HG13 VAL A 54 90.771 -5.538 12.484 1.00 0.00 H new ATOM 0 HG21 VAL A 54 89.401 -6.411 9.887 1.00 0.00 H new ATOM 0 HG22 VAL A 54 89.471 -4.746 10.512 1.00 0.00 H new ATOM 0 HG23 VAL A 54 90.040 -5.103 8.863 1.00 0.00 H new ATOM 828 N LYS A 55 90.907 -2.399 9.984 1.00 0.00 N ATOM 829 CA LYS A 55 90.008 -1.282 10.399 1.00 0.00 C ATOM 830 C LYS A 55 88.819 -1.142 9.444 1.00 0.00 C ATOM 831 O LYS A 55 88.918 -1.399 8.260 1.00 0.00 O ATOM 832 CB LYS A 55 90.793 0.027 10.400 1.00 0.00 C ATOM 833 CG LYS A 55 91.796 0.013 11.549 1.00 0.00 C ATOM 834 CD LYS A 55 93.140 -0.509 11.047 1.00 0.00 C ATOM 835 CE LYS A 55 94.208 -0.236 12.112 1.00 0.00 C ATOM 836 NZ LYS A 55 95.426 -1.052 11.835 1.00 0.00 N ATOM 0 H LYS A 55 91.205 -2.386 9.008 1.00 0.00 H new ATOM 0 HA LYS A 55 89.631 -1.504 11.397 1.00 0.00 H new ATOM 0 HB2 LYS A 55 91.313 0.153 9.450 1.00 0.00 H new ATOM 0 HB3 LYS A 55 90.113 0.872 10.506 1.00 0.00 H new ATOM 0 HG2 LYS A 55 91.913 1.018 11.955 1.00 0.00 H new ATOM 0 HG3 LYS A 55 91.429 -0.618 12.359 1.00 0.00 H new ATOM 0 HD2 LYS A 55 93.077 -1.578 10.842 1.00 0.00 H new ATOM 0 HD3 LYS A 55 93.408 -0.020 10.110 1.00 0.00 H new ATOM 0 HE2 LYS A 55 94.464 0.823 12.119 1.00 0.00 H new ATOM 0 HE3 LYS A 55 93.817 -0.476 13.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 95.771 -1.473 12.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 95.191 -1.809 11.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 96.166 -0.444 11.429 1.00 0.00 H new ATOM 850 N HIS A 56 87.700 -0.709 9.961 1.00 0.00 N ATOM 851 CA HIS A 56 86.497 -0.514 9.106 1.00 0.00 C ATOM 852 C HIS A 56 86.299 0.987 8.856 1.00 0.00 C ATOM 853 O HIS A 56 85.745 1.687 9.679 1.00 0.00 O ATOM 854 CB HIS A 56 85.261 -1.065 9.832 1.00 0.00 C ATOM 855 CG HIS A 56 85.315 -2.569 9.856 1.00 0.00 C ATOM 856 ND1 HIS A 56 85.042 -3.500 8.888 1.00 0.00 N flip ATOM 857 CD2 HIS A 56 85.694 -3.294 10.980 1.00 0.00 C flip ATOM 858 CE1 HIS A 56 85.248 -4.780 9.391 1.00 0.00 C flip ATOM 859 NE2 HIS A 56 85.640 -4.602 10.653 1.00 0.00 N flip ATOM 0 H HIS A 56 87.569 -0.481 10.946 1.00 0.00 H new ATOM 0 HA HIS A 56 86.632 -1.037 8.159 1.00 0.00 H new ATOM 0 HB2 HIS A 56 85.222 -0.677 10.850 1.00 0.00 H new ATOM 0 HB3 HIS A 56 84.353 -0.732 9.329 1.00 0.00 H new ATOM 0 HD2 HIS A 56 85.979 -2.886 11.938 1.00 0.00 H new ATOM 0 HE1 HIS A 56 85.118 -5.718 8.871 1.00 0.00 H new ATOM 0 HE2 HIS A 56 85.871 -5.362 11.293 1.00 0.00 H new ATOM 867 N CYS A 57 86.737 1.496 7.730 1.00 0.00 N ATOM 868 CA CYS A 57 86.550 2.954 7.462 1.00 0.00 C ATOM 869 C CYS A 57 85.135 3.187 6.919 1.00 0.00 C ATOM 870 O CYS A 57 84.574 2.348 6.245 1.00 0.00 O ATOM 871 CB CYS A 57 87.610 3.439 6.472 1.00 0.00 C ATOM 872 SG CYS A 57 89.238 3.359 7.262 1.00 0.00 S ATOM 0 H CYS A 57 87.210 0.972 6.994 1.00 0.00 H new ATOM 0 HA CYS A 57 86.667 3.523 8.385 1.00 0.00 H new ATOM 0 HB2 CYS A 57 87.597 2.821 5.574 1.00 0.00 H new ATOM 0 HB3 CYS A 57 87.393 4.460 6.159 1.00 0.00 H new ATOM 0 HG CYS A 57 89.853 4.493 7.105 1.00 0.00 H new ATOM 878 N VAL A 58 84.533 4.296 7.260 1.00 0.00 N ATOM 879 CA VAL A 58 83.127 4.554 6.824 1.00 0.00 C ATOM 880 C VAL A 58 83.030 5.615 5.725 1.00 0.00 C ATOM 881 O VAL A 58 83.677 6.644 5.770 1.00 0.00 O ATOM 882 CB VAL A 58 82.343 5.043 8.043 1.00 0.00 C ATOM 883 CG1 VAL A 58 82.743 6.490 8.358 1.00 0.00 C ATOM 884 CG2 VAL A 58 80.845 4.982 7.753 1.00 0.00 C ATOM 0 H VAL A 58 84.954 5.036 7.822 1.00 0.00 H new ATOM 0 HA VAL A 58 82.725 3.627 6.415 1.00 0.00 H new ATOM 0 HB VAL A 58 82.570 4.405 8.897 1.00 0.00 H new ATOM 0 HG11 VAL A 58 82.185 6.841 9.226 1.00 0.00 H new ATOM 0 HG12 VAL A 58 83.811 6.534 8.570 1.00 0.00 H new ATOM 0 HG13 VAL A 58 82.517 7.125 7.501 1.00 0.00 H new ATOM 0 HG21 VAL A 58 80.291 5.331 8.624 1.00 0.00 H new ATOM 0 HG22 VAL A 58 80.614 5.617 6.898 1.00 0.00 H new ATOM 0 HG23 VAL A 58 80.559 3.954 7.530 1.00 0.00 H new ATOM 894 N ILE A 59 82.171 5.392 4.769 1.00 0.00 N ATOM 895 CA ILE A 59 81.961 6.403 3.702 1.00 0.00 C ATOM 896 C ILE A 59 80.594 7.044 3.971 1.00 0.00 C ATOM 897 O ILE A 59 79.607 6.352 4.138 1.00 0.00 O ATOM 898 CB ILE A 59 81.979 5.731 2.327 1.00 0.00 C ATOM 899 CG1 ILE A 59 83.296 4.969 2.141 1.00 0.00 C ATOM 900 CG2 ILE A 59 81.854 6.797 1.241 1.00 0.00 C ATOM 901 CD1 ILE A 59 84.478 5.925 2.307 1.00 0.00 C ATOM 0 H ILE A 59 81.604 4.548 4.683 1.00 0.00 H new ATOM 0 HA ILE A 59 82.751 7.154 3.707 1.00 0.00 H new ATOM 0 HB ILE A 59 81.145 5.033 2.255 1.00 0.00 H new ATOM 0 HG12 ILE A 59 83.365 4.161 2.870 1.00 0.00 H new ATOM 0 HG13 ILE A 59 83.324 4.510 1.153 1.00 0.00 H new ATOM 0 HG21 ILE A 59 81.867 6.321 0.261 1.00 0.00 H new ATOM 0 HG22 ILE A 59 80.917 7.339 1.369 1.00 0.00 H new ATOM 0 HG23 ILE A 59 82.689 7.493 1.317 1.00 0.00 H new ATOM 0 HD11 ILE A 59 85.411 5.377 2.174 1.00 0.00 H new ATOM 0 HD12 ILE A 59 84.413 6.717 1.561 1.00 0.00 H new ATOM 0 HD13 ILE A 59 84.454 6.363 3.305 1.00 0.00 H new ATOM 913 N ASN A 60 80.521 8.346 4.055 1.00 0.00 N ATOM 914 CA ASN A 60 79.204 8.983 4.363 1.00 0.00 C ATOM 915 C ASN A 60 78.722 9.819 3.191 1.00 0.00 C ATOM 916 O ASN A 60 79.409 10.706 2.725 1.00 0.00 O ATOM 917 CB ASN A 60 79.349 9.875 5.594 1.00 0.00 C ATOM 918 CG ASN A 60 79.606 8.999 6.817 1.00 0.00 C ATOM 919 OD1 ASN A 60 78.927 7.892 6.960 1.00 0.00 O flip ATOM 920 ND2 ASN A 60 80.432 9.318 7.649 1.00 0.00 N flip ATOM 0 H ASN A 60 81.302 8.989 3.926 1.00 0.00 H new ATOM 0 HA ASN A 60 78.474 8.197 4.554 1.00 0.00 H new ATOM 0 HB2 ASN A 60 80.171 10.577 5.455 1.00 0.00 H new ATOM 0 HB3 ASN A 60 78.445 10.467 5.738 1.00 0.00 H new ATOM 0 HD21 ASN A 60 80.962 10.182 7.537 1.00 0.00 H new ATOM 0 HD22 ASN A 60 80.596 8.721 8.460 1.00 0.00 H new ATOM 1167 N SER A 77 82.818 11.516 -7.573 1.00 0.00 N ATOM 1168 CA SER A 77 81.974 10.285 -7.643 1.00 0.00 C ATOM 1169 C SER A 77 82.550 9.205 -6.732 1.00 0.00 C ATOM 1170 O SER A 77 83.647 9.322 -6.223 1.00 0.00 O ATOM 1171 CB SER A 77 81.940 9.768 -9.082 1.00 0.00 C ATOM 1172 OG SER A 77 83.233 9.300 -9.442 1.00 0.00 O ATOM 0 HA SER A 77 80.963 10.529 -7.317 1.00 0.00 H new ATOM 0 HB2 SER A 77 81.210 8.964 -9.175 1.00 0.00 H new ATOM 0 HB3 SER A 77 81.626 10.563 -9.759 1.00 0.00 H new ATOM 0 HG SER A 77 83.913 9.807 -8.951 1.00 0.00 H new ATOM 1178 N LEU A 78 81.806 8.156 -6.522 1.00 0.00 N ATOM 1179 CA LEU A 78 82.286 7.060 -5.642 1.00 0.00 C ATOM 1180 C LEU A 78 83.450 6.328 -6.318 1.00 0.00 C ATOM 1181 O LEU A 78 84.393 5.915 -5.673 1.00 0.00 O ATOM 1182 CB LEU A 78 81.130 6.092 -5.398 1.00 0.00 C ATOM 1183 CG LEU A 78 81.113 5.674 -3.929 1.00 0.00 C ATOM 1184 CD1 LEU A 78 79.841 4.870 -3.652 1.00 0.00 C ATOM 1185 CD2 LEU A 78 82.342 4.811 -3.620 1.00 0.00 C ATOM 0 H LEU A 78 80.880 8.012 -6.926 1.00 0.00 H new ATOM 0 HA LEU A 78 82.634 7.466 -4.692 1.00 0.00 H new ATOM 0 HB2 LEU A 78 80.184 6.565 -5.663 1.00 0.00 H new ATOM 0 HB3 LEU A 78 81.237 5.214 -6.035 1.00 0.00 H new ATOM 0 HG LEU A 78 81.133 6.562 -3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 78 79.822 4.568 -2.605 1.00 0.00 H new ATOM 0 HD12 LEU A 78 78.967 5.485 -3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 78 79.826 3.983 -4.286 1.00 0.00 H new ATOM 0 HD21 LEU A 78 82.325 4.516 -2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 78 82.328 3.920 -4.248 1.00 0.00 H new ATOM 0 HD23 LEU A 78 83.248 5.383 -3.821 1.00 0.00 H new ATOM 1197 N LYS A 79 83.400 6.170 -7.612 1.00 0.00 N ATOM 1198 CA LYS A 79 84.513 5.477 -8.313 1.00 0.00 C ATOM 1199 C LYS A 79 85.803 6.255 -8.068 1.00 0.00 C ATOM 1200 O LYS A 79 86.849 5.691 -7.829 1.00 0.00 O ATOM 1201 CB LYS A 79 84.217 5.430 -9.811 1.00 0.00 C ATOM 1202 CG LYS A 79 83.065 4.461 -10.074 1.00 0.00 C ATOM 1203 CD LYS A 79 82.793 4.407 -11.577 1.00 0.00 C ATOM 1204 CE LYS A 79 81.726 3.348 -11.875 1.00 0.00 C ATOM 1205 NZ LYS A 79 80.407 3.789 -11.337 1.00 0.00 N ATOM 0 H LYS A 79 82.639 6.490 -8.211 1.00 0.00 H new ATOM 0 HA LYS A 79 84.618 4.459 -7.938 1.00 0.00 H new ATOM 0 HB2 LYS A 79 83.959 6.425 -10.173 1.00 0.00 H new ATOM 0 HB3 LYS A 79 85.105 5.113 -10.358 1.00 0.00 H new ATOM 0 HG2 LYS A 79 83.316 3.468 -9.701 1.00 0.00 H new ATOM 0 HG3 LYS A 79 82.171 4.785 -9.541 1.00 0.00 H new ATOM 0 HD2 LYS A 79 82.459 5.382 -11.930 1.00 0.00 H new ATOM 0 HD3 LYS A 79 83.712 4.171 -12.114 1.00 0.00 H new ATOM 0 HE2 LYS A 79 81.654 3.185 -12.950 1.00 0.00 H new ATOM 0 HE3 LYS A 79 82.011 2.396 -11.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 79.658 3.165 -11.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 80.423 3.743 -10.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 80.219 4.767 -11.638 1.00 0.00 H new ATOM 1219 N GLU A 80 85.726 7.554 -8.111 1.00 0.00 N ATOM 1220 CA GLU A 80 86.936 8.377 -7.862 1.00 0.00 C ATOM 1221 C GLU A 80 87.331 8.221 -6.396 1.00 0.00 C ATOM 1222 O GLU A 80 88.487 8.285 -6.044 1.00 0.00 O ATOM 1223 CB GLU A 80 86.631 9.844 -8.169 1.00 0.00 C ATOM 1224 CG GLU A 80 87.919 10.666 -8.088 1.00 0.00 C ATOM 1225 CD GLU A 80 87.668 12.067 -8.653 1.00 0.00 C ATOM 1226 OE1 GLU A 80 86.943 12.817 -8.020 1.00 0.00 O ATOM 1227 OE2 GLU A 80 88.207 12.364 -9.706 1.00 0.00 O ATOM 0 H GLU A 80 84.875 8.081 -8.308 1.00 0.00 H new ATOM 0 HA GLU A 80 87.754 8.049 -8.503 1.00 0.00 H new ATOM 0 HB2 GLU A 80 86.193 9.934 -9.163 1.00 0.00 H new ATOM 0 HB3 GLU A 80 85.897 10.229 -7.461 1.00 0.00 H new ATOM 0 HG2 GLU A 80 88.255 10.735 -7.053 1.00 0.00 H new ATOM 0 HG3 GLU A 80 88.713 10.173 -8.649 1.00 0.00 H new ATOM 1234 N LEU A 81 86.368 8.012 -5.533 1.00 0.00 N ATOM 1235 CA LEU A 81 86.691 7.845 -4.092 1.00 0.00 C ATOM 1236 C LEU A 81 87.622 6.643 -3.946 1.00 0.00 C ATOM 1237 O LEU A 81 88.623 6.701 -3.261 1.00 0.00 O ATOM 1238 CB LEU A 81 85.396 7.601 -3.304 1.00 0.00 C ATOM 1239 CG LEU A 81 85.619 7.862 -1.806 1.00 0.00 C ATOM 1240 CD1 LEU A 81 86.653 6.878 -1.254 1.00 0.00 C ATOM 1241 CD2 LEU A 81 86.116 9.297 -1.601 1.00 0.00 C ATOM 0 H LEU A 81 85.377 7.951 -5.767 1.00 0.00 H new ATOM 0 HA LEU A 81 87.176 8.741 -3.704 1.00 0.00 H new ATOM 0 HB2 LEU A 81 84.607 8.253 -3.679 1.00 0.00 H new ATOM 0 HB3 LEU A 81 85.060 6.575 -3.454 1.00 0.00 H new ATOM 0 HG LEU A 81 84.676 7.726 -1.276 1.00 0.00 H new ATOM 0 HD11 LEU A 81 86.806 7.069 -0.192 1.00 0.00 H new ATOM 0 HD12 LEU A 81 86.294 5.858 -1.391 1.00 0.00 H new ATOM 0 HD13 LEU A 81 87.596 7.005 -1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 81 86.273 9.479 -0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 81 87.055 9.437 -2.136 1.00 0.00 H new ATOM 0 HD23 LEU A 81 85.373 9.997 -1.983 1.00 0.00 H new ATOM 1253 N VAL A 82 87.313 5.553 -4.597 1.00 0.00 N ATOM 1254 CA VAL A 82 88.203 4.364 -4.490 1.00 0.00 C ATOM 1255 C VAL A 82 89.562 4.705 -5.117 1.00 0.00 C ATOM 1256 O VAL A 82 90.606 4.415 -4.564 1.00 0.00 O ATOM 1257 CB VAL A 82 87.571 3.182 -5.231 1.00 0.00 C ATOM 1258 CG1 VAL A 82 88.522 1.986 -5.194 1.00 0.00 C ATOM 1259 CG2 VAL A 82 86.257 2.803 -4.544 1.00 0.00 C ATOM 0 H VAL A 82 86.492 5.436 -5.191 1.00 0.00 H new ATOM 0 HA VAL A 82 88.339 4.094 -3.443 1.00 0.00 H new ATOM 0 HB VAL A 82 87.380 3.462 -6.267 1.00 0.00 H new ATOM 0 HG11 VAL A 82 88.071 1.146 -5.722 1.00 0.00 H new ATOM 0 HG12 VAL A 82 89.462 2.254 -5.675 1.00 0.00 H new ATOM 0 HG13 VAL A 82 88.712 1.704 -4.158 1.00 0.00 H new ATOM 0 HG21 VAL A 82 85.802 1.962 -5.067 1.00 0.00 H new ATOM 0 HG22 VAL A 82 86.455 2.523 -3.509 1.00 0.00 H new ATOM 0 HG23 VAL A 82 85.577 3.654 -4.565 1.00 0.00 H new ATOM 1269 N LEU A 83 89.550 5.326 -6.267 1.00 0.00 N ATOM 1270 CA LEU A 83 90.827 5.700 -6.941 1.00 0.00 C ATOM 1271 C LEU A 83 91.541 6.797 -6.143 1.00 0.00 C ATOM 1272 O LEU A 83 92.741 6.765 -5.962 1.00 0.00 O ATOM 1273 CB LEU A 83 90.506 6.226 -8.343 1.00 0.00 C ATOM 1274 CG LEU A 83 89.988 5.079 -9.211 1.00 0.00 C ATOM 1275 CD1 LEU A 83 88.989 5.614 -10.240 1.00 0.00 C ATOM 1276 CD2 LEU A 83 91.163 4.438 -9.940 1.00 0.00 C ATOM 0 H LEU A 83 88.704 5.592 -6.771 1.00 0.00 H new ATOM 0 HA LEU A 83 91.476 4.826 -7.003 1.00 0.00 H new ATOM 0 HB2 LEU A 83 89.759 7.018 -8.284 1.00 0.00 H new ATOM 0 HB3 LEU A 83 91.398 6.662 -8.792 1.00 0.00 H new ATOM 0 HG LEU A 83 89.492 4.342 -8.579 1.00 0.00 H new ATOM 0 HD11 LEU A 83 88.624 4.791 -10.855 1.00 0.00 H new ATOM 0 HD12 LEU A 83 88.150 6.081 -9.724 1.00 0.00 H new ATOM 0 HD13 LEU A 83 89.480 6.351 -10.875 1.00 0.00 H new ATOM 0 HD21 LEU A 83 90.802 3.619 -10.562 1.00 0.00 H new ATOM 0 HD22 LEU A 83 91.651 5.183 -10.569 1.00 0.00 H new ATOM 0 HD23 LEU A 83 91.877 4.054 -9.212 1.00 0.00 H new ATOM 1288 N HIS A 84 90.813 7.775 -5.678 1.00 0.00 N ATOM 1289 CA HIS A 84 91.449 8.882 -4.910 1.00 0.00 C ATOM 1290 C HIS A 84 92.128 8.335 -3.650 1.00 0.00 C ATOM 1291 O HIS A 84 93.225 8.731 -3.309 1.00 0.00 O ATOM 1292 CB HIS A 84 90.380 9.907 -4.514 1.00 0.00 C ATOM 1293 CG HIS A 84 91.023 11.035 -3.751 1.00 0.00 C ATOM 1294 ND1 HIS A 84 91.254 10.959 -2.387 1.00 0.00 N ATOM 1295 CD2 HIS A 84 91.487 12.267 -4.143 1.00 0.00 C ATOM 1296 CE1 HIS A 84 91.832 12.113 -2.008 1.00 0.00 C ATOM 1297 NE2 HIS A 84 91.999 12.945 -3.038 1.00 0.00 N ATOM 0 H HIS A 84 89.803 7.855 -5.797 1.00 0.00 H new ATOM 0 HA HIS A 84 92.203 9.360 -5.536 1.00 0.00 H new ATOM 0 HB2 HIS A 84 89.884 10.293 -5.404 1.00 0.00 H new ATOM 0 HB3 HIS A 84 89.613 9.431 -3.903 1.00 0.00 H new ATOM 0 HD2 HIS A 84 91.459 12.651 -5.152 1.00 0.00 H new ATOM 0 HE1 HIS A 84 92.125 12.339 -0.993 1.00 0.00 H new ATOM 0 HE2 HIS A 84 92.413 13.877 -3.020 1.00 0.00 H new ATOM 1305 N TYR A 85 91.490 7.436 -2.953 1.00 0.00 N ATOM 1306 CA TYR A 85 92.110 6.879 -1.713 1.00 0.00 C ATOM 1307 C TYR A 85 93.319 6.016 -2.092 1.00 0.00 C ATOM 1308 O TYR A 85 94.235 5.830 -1.316 1.00 0.00 O ATOM 1309 CB TYR A 85 91.087 6.030 -0.947 1.00 0.00 C ATOM 1310 CG TYR A 85 90.090 6.922 -0.222 1.00 0.00 C ATOM 1311 CD1 TYR A 85 89.865 8.237 -0.652 1.00 0.00 C ATOM 1312 CD2 TYR A 85 89.384 6.424 0.886 1.00 0.00 C ATOM 1313 CE1 TYR A 85 88.942 9.048 0.022 1.00 0.00 C ATOM 1314 CE2 TYR A 85 88.462 7.237 1.555 1.00 0.00 C ATOM 1315 CZ TYR A 85 88.240 8.548 1.123 1.00 0.00 C ATOM 1316 OH TYR A 85 87.329 9.351 1.785 1.00 0.00 O ATOM 0 H TYR A 85 90.570 7.063 -3.185 1.00 0.00 H new ATOM 0 HA TYR A 85 92.434 7.701 -1.074 1.00 0.00 H new ATOM 0 HB2 TYR A 85 90.560 5.373 -1.639 1.00 0.00 H new ATOM 0 HB3 TYR A 85 91.601 5.391 -0.229 1.00 0.00 H new ATOM 0 HD1 TYR A 85 90.404 8.626 -1.504 1.00 0.00 H new ATOM 0 HD2 TYR A 85 89.553 5.412 1.222 1.00 0.00 H new ATOM 0 HE1 TYR A 85 88.773 10.062 -0.310 1.00 0.00 H new ATOM 0 HE2 TYR A 85 87.921 6.851 2.406 1.00 0.00 H new ATOM 0 HH TYR A 85 86.928 8.849 2.526 1.00 0.00 H new ATOM 1326 N GLN A 86 93.328 5.492 -3.286 1.00 0.00 N ATOM 1327 CA GLN A 86 94.477 4.650 -3.723 1.00 0.00 C ATOM 1328 C GLN A 86 95.758 5.500 -3.718 1.00 0.00 C ATOM 1329 O GLN A 86 96.833 5.012 -3.434 1.00 0.00 O ATOM 1330 CB GLN A 86 94.197 4.113 -5.139 1.00 0.00 C ATOM 1331 CG GLN A 86 95.318 3.163 -5.582 1.00 0.00 C ATOM 1332 CD GLN A 86 96.409 3.962 -6.295 1.00 0.00 C ATOM 1333 OE1 GLN A 86 96.725 5.066 -5.904 1.00 0.00 O ATOM 1334 NE2 GLN A 86 96.998 3.455 -7.344 1.00 0.00 N ATOM 0 H GLN A 86 92.589 5.610 -3.979 1.00 0.00 H new ATOM 0 HA GLN A 86 94.608 3.809 -3.042 1.00 0.00 H new ATOM 0 HB2 GLN A 86 93.241 3.590 -5.154 1.00 0.00 H new ATOM 0 HB3 GLN A 86 94.117 4.943 -5.841 1.00 0.00 H new ATOM 0 HG2 GLN A 86 95.736 2.648 -4.717 1.00 0.00 H new ATOM 0 HG3 GLN A 86 94.919 2.397 -6.247 1.00 0.00 H new ATOM 0 HE21 GLN A 86 96.736 2.527 -7.677 1.00 0.00 H new ATOM 0 HE22 GLN A 86 97.720 3.987 -7.830 1.00 0.00 H new ATOM 1343 N HIS A 87 95.656 6.764 -4.045 1.00 0.00 N ATOM 1344 CA HIS A 87 96.876 7.633 -4.075 1.00 0.00 C ATOM 1345 C HIS A 87 97.043 8.387 -2.750 1.00 0.00 C ATOM 1346 O HIS A 87 98.111 8.872 -2.433 1.00 0.00 O ATOM 1347 CB HIS A 87 96.739 8.641 -5.217 1.00 0.00 C ATOM 1348 CG HIS A 87 96.536 7.904 -6.515 1.00 0.00 C ATOM 1349 ND1 HIS A 87 97.471 7.011 -7.018 1.00 0.00 N ATOM 1350 CD2 HIS A 87 95.517 7.937 -7.435 1.00 0.00 C ATOM 1351 CE1 HIS A 87 97.002 6.555 -8.196 1.00 0.00 C ATOM 1352 NE2 HIS A 87 95.814 7.087 -8.496 1.00 0.00 N ATOM 0 H HIS A 87 94.784 7.232 -4.292 1.00 0.00 H new ATOM 0 HA HIS A 87 97.753 7.004 -4.226 1.00 0.00 H new ATOM 0 HB2 HIS A 87 95.897 9.307 -5.029 1.00 0.00 H new ATOM 0 HB3 HIS A 87 97.632 9.264 -5.276 1.00 0.00 H new ATOM 0 HD2 HIS A 87 94.620 8.533 -7.348 1.00 0.00 H new ATOM 0 HE1 HIS A 87 97.523 5.846 -8.822 1.00 0.00 H new ATOM 0 HE2 HIS A 87 95.247 6.909 -9.325 1.00 0.00 H new ATOM 1360 N THR A 88 96.006 8.492 -1.979 1.00 0.00 N ATOM 1361 CA THR A 88 96.111 9.216 -0.686 1.00 0.00 C ATOM 1362 C THR A 88 96.199 8.214 0.466 1.00 0.00 C ATOM 1363 O THR A 88 95.443 7.265 0.538 1.00 0.00 O ATOM 1364 CB THR A 88 94.879 10.096 -0.525 1.00 0.00 C ATOM 1365 OG1 THR A 88 93.797 9.510 -1.236 1.00 0.00 O ATOM 1366 CG2 THR A 88 95.173 11.495 -1.082 1.00 0.00 C ATOM 0 H THR A 88 95.085 8.107 -2.187 1.00 0.00 H new ATOM 0 HA THR A 88 97.010 9.833 -0.674 1.00 0.00 H new ATOM 0 HB THR A 88 94.618 10.181 0.530 1.00 0.00 H new ATOM 0 HG1 THR A 88 93.844 9.774 -2.179 1.00 0.00 H new ATOM 0 HG21 THR A 88 94.291 12.125 -0.967 1.00 0.00 H new ATOM 0 HG22 THR A 88 96.008 11.936 -0.537 1.00 0.00 H new ATOM 0 HG23 THR A 88 95.429 11.419 -2.139 1.00 0.00 H new ATOM 1374 N SER A 89 97.122 8.419 1.367 1.00 0.00 N ATOM 1375 CA SER A 89 97.271 7.482 2.516 1.00 0.00 C ATOM 1376 C SER A 89 96.131 7.711 3.513 1.00 0.00 C ATOM 1377 O SER A 89 95.806 8.832 3.857 1.00 0.00 O ATOM 1378 CB SER A 89 98.614 7.743 3.196 1.00 0.00 C ATOM 1379 OG SER A 89 98.723 6.932 4.358 1.00 0.00 O ATOM 0 H SER A 89 97.781 9.198 1.356 1.00 0.00 H new ATOM 0 HA SER A 89 97.233 6.451 2.163 1.00 0.00 H new ATOM 0 HB2 SER A 89 99.431 7.523 2.508 1.00 0.00 H new ATOM 0 HB3 SER A 89 98.699 8.796 3.465 1.00 0.00 H new ATOM 0 HG SER A 89 99.132 6.074 4.121 1.00 0.00 H new ATOM 1385 N LEU A 90 95.514 6.653 3.966 1.00 0.00 N ATOM 1386 CA LEU A 90 94.379 6.793 4.928 1.00 0.00 C ATOM 1387 C LEU A 90 94.856 7.443 6.234 1.00 0.00 C ATOM 1388 O LEU A 90 94.093 8.106 6.898 1.00 0.00 O ATOM 1389 CB LEU A 90 93.772 5.413 5.221 1.00 0.00 C ATOM 1390 CG LEU A 90 92.765 5.045 4.118 1.00 0.00 C ATOM 1391 CD1 LEU A 90 93.502 4.691 2.827 1.00 0.00 C ATOM 1392 CD2 LEU A 90 91.924 3.844 4.560 1.00 0.00 C ATOM 0 H LEU A 90 95.747 5.693 3.711 1.00 0.00 H new ATOM 0 HA LEU A 90 93.619 7.433 4.480 1.00 0.00 H new ATOM 0 HB2 LEU A 90 94.560 4.662 5.273 1.00 0.00 H new ATOM 0 HB3 LEU A 90 93.276 5.422 6.192 1.00 0.00 H new ATOM 0 HG LEU A 90 92.116 5.903 3.940 1.00 0.00 H new ATOM 0 HD11 LEU A 90 92.778 4.432 2.054 1.00 0.00 H new ATOM 0 HD12 LEU A 90 94.093 5.546 2.499 1.00 0.00 H new ATOM 0 HD13 LEU A 90 94.161 3.842 3.006 1.00 0.00 H new ATOM 0 HD21 LEU A 90 91.213 3.589 3.774 1.00 0.00 H new ATOM 0 HD22 LEU A 90 92.577 2.992 4.749 1.00 0.00 H new ATOM 0 HD23 LEU A 90 91.382 4.095 5.472 1.00 0.00 H new ATOM 1404 N VAL A 91 96.105 7.248 6.593 1.00 0.00 N ATOM 1405 CA VAL A 91 96.672 7.837 7.860 1.00 0.00 C ATOM 1406 C VAL A 91 95.605 8.605 8.649 1.00 0.00 C ATOM 1407 O VAL A 91 95.218 8.215 9.731 1.00 0.00 O ATOM 1408 CB VAL A 91 97.814 8.791 7.494 1.00 0.00 C ATOM 1409 CG1 VAL A 91 97.301 9.922 6.594 1.00 0.00 C ATOM 1410 CG2 VAL A 91 98.388 9.384 8.773 1.00 0.00 C ATOM 0 H VAL A 91 96.771 6.695 6.053 1.00 0.00 H new ATOM 0 HA VAL A 91 97.035 7.023 8.487 1.00 0.00 H new ATOM 0 HB VAL A 91 98.584 8.239 6.955 1.00 0.00 H new ATOM 0 HG11 VAL A 91 98.125 10.590 6.344 1.00 0.00 H new ATOM 0 HG12 VAL A 91 96.886 9.499 5.679 1.00 0.00 H new ATOM 0 HG13 VAL A 91 96.527 10.482 7.119 1.00 0.00 H new ATOM 0 HG21 VAL A 91 99.202 10.065 8.525 1.00 0.00 H new ATOM 0 HG22 VAL A 91 97.607 9.929 9.303 1.00 0.00 H new ATOM 0 HG23 VAL A 91 98.766 8.583 9.408 1.00 0.00 H new ATOM 1420 N GLN A 92 95.132 9.691 8.106 1.00 0.00 N ATOM 1421 CA GLN A 92 94.089 10.506 8.788 1.00 0.00 C ATOM 1422 C GLN A 92 94.282 10.507 10.309 1.00 0.00 C ATOM 1423 O GLN A 92 95.384 10.433 10.815 1.00 0.00 O ATOM 1424 CB GLN A 92 92.703 9.955 8.429 1.00 0.00 C ATOM 1425 CG GLN A 92 92.457 8.604 9.112 1.00 0.00 C ATOM 1426 CD GLN A 92 91.070 8.095 8.712 1.00 0.00 C ATOM 1427 OE1 GLN A 92 90.835 7.768 7.564 1.00 0.00 O ATOM 1428 NE2 GLN A 92 90.131 8.020 9.614 1.00 0.00 N ATOM 0 H GLN A 92 95.430 10.055 7.201 1.00 0.00 H new ATOM 0 HA GLN A 92 94.177 11.537 8.446 1.00 0.00 H new ATOM 0 HB2 GLN A 92 91.935 10.666 8.733 1.00 0.00 H new ATOM 0 HB3 GLN A 92 92.622 9.841 7.348 1.00 0.00 H new ATOM 0 HG2 GLN A 92 93.222 7.886 8.816 1.00 0.00 H new ATOM 0 HG3 GLN A 92 92.522 8.711 10.195 1.00 0.00 H new ATOM 0 HE21 GLN A 92 90.326 8.294 10.577 1.00 0.00 H new ATOM 0 HE22 GLN A 92 89.202 7.688 9.356 1.00 0.00 H new ATOM 1437 N HIS A 93 93.206 10.611 11.038 1.00 0.00 N ATOM 1438 CA HIS A 93 93.298 10.638 12.522 1.00 0.00 C ATOM 1439 C HIS A 93 94.147 9.470 13.012 1.00 0.00 C ATOM 1440 O HIS A 93 94.527 8.609 12.243 1.00 0.00 O ATOM 1441 CB HIS A 93 91.894 10.538 13.107 1.00 0.00 C ATOM 1442 CG HIS A 93 91.112 11.754 12.709 1.00 0.00 C ATOM 1443 ND1 HIS A 93 90.154 11.734 11.706 1.00 0.00 N ATOM 1444 CD2 HIS A 93 91.143 13.044 13.172 1.00 0.00 C ATOM 1445 CE1 HIS A 93 89.654 12.978 11.601 1.00 0.00 C ATOM 1446 NE2 HIS A 93 90.221 13.816 12.473 1.00 0.00 N ATOM 0 H HIS A 93 92.259 10.679 10.665 1.00 0.00 H new ATOM 0 HA HIS A 93 93.765 11.569 12.843 1.00 0.00 H new ATOM 0 HB2 HIS A 93 91.399 9.637 12.745 1.00 0.00 H new ATOM 0 HB3 HIS A 93 91.943 10.461 14.193 1.00 0.00 H new ATOM 0 HD2 HIS A 93 91.786 13.406 13.960 1.00 0.00 H new ATOM 0 HE1 HIS A 93 88.887 13.265 10.897 1.00 0.00 H new ATOM 0 HE2 HIS A 93 90.021 14.808 12.599 1.00 0.00 H new ATOM 1454 N ASN A 94 94.464 9.445 14.284 1.00 0.00 N ATOM 1455 CA ASN A 94 95.305 8.343 14.831 1.00 0.00 C ATOM 1456 C ASN A 94 96.682 8.392 14.164 1.00 0.00 C ATOM 1457 O ASN A 94 97.664 7.900 14.687 1.00 0.00 O ATOM 1458 CB ASN A 94 94.620 7.001 14.541 1.00 0.00 C ATOM 1459 CG ASN A 94 93.247 6.996 15.216 1.00 0.00 C ATOM 1460 OD1 ASN A 94 93.081 7.679 16.315 1.00 0.00 O flip ATOM 1461 ND2 ASN A 94 92.321 6.376 14.735 1.00 0.00 N flip ATOM 0 H ASN A 94 94.174 10.145 14.967 1.00 0.00 H new ATOM 0 HA ASN A 94 95.426 8.455 15.908 1.00 0.00 H new ATOM 0 HB2 ASN A 94 94.513 6.856 13.466 1.00 0.00 H new ATOM 0 HB3 ASN A 94 95.228 6.177 14.915 1.00 0.00 H new ATOM 0 HD21 ASN A 94 92.456 5.843 13.876 1.00 0.00 H new ATOM 0 HD22 ASN A 94 91.408 6.388 15.190 1.00 0.00 H new ATOM 1468 N ASP A 95 96.750 9.000 13.009 1.00 0.00 N ATOM 1469 CA ASP A 95 98.038 9.114 12.276 1.00 0.00 C ATOM 1470 C ASP A 95 98.655 7.728 12.102 1.00 0.00 C ATOM 1471 O ASP A 95 99.859 7.578 12.076 1.00 0.00 O ATOM 1472 CB ASP A 95 99.003 10.023 13.049 1.00 0.00 C ATOM 1473 CG ASP A 95 98.504 11.469 12.988 1.00 0.00 C ATOM 1474 OD1 ASP A 95 97.829 11.803 12.027 1.00 0.00 O ATOM 1475 OD2 ASP A 95 98.805 12.218 13.902 1.00 0.00 O ATOM 0 H ASP A 95 95.953 9.428 12.538 1.00 0.00 H new ATOM 0 HA ASP A 95 97.853 9.550 11.294 1.00 0.00 H new ATOM 0 HB2 ASP A 95 99.075 9.696 14.086 1.00 0.00 H new ATOM 0 HB3 ASP A 95 100.004 9.954 12.623 1.00 0.00 H new ATOM 1480 N SER A 96 97.849 6.703 11.986 1.00 0.00 N ATOM 1481 CA SER A 96 98.431 5.342 11.824 1.00 0.00 C ATOM 1482 C SER A 96 97.725 4.566 10.709 1.00 0.00 C ATOM 1483 O SER A 96 98.088 3.446 10.408 1.00 0.00 O ATOM 1484 CB SER A 96 98.326 4.575 13.141 1.00 0.00 C ATOM 1485 OG SER A 96 98.989 5.310 14.164 1.00 0.00 O ATOM 0 H SER A 96 96.830 6.750 11.996 1.00 0.00 H new ATOM 0 HA SER A 96 99.480 5.450 11.548 1.00 0.00 H new ATOM 0 HB2 SER A 96 97.279 4.424 13.405 1.00 0.00 H new ATOM 0 HB3 SER A 96 98.775 3.587 13.037 1.00 0.00 H new ATOM 0 HG SER A 96 98.489 6.131 14.354 1.00 0.00 H new ATOM 1491 N LEU A 97 96.748 5.141 10.072 1.00 0.00 N ATOM 1492 CA LEU A 97 96.076 4.403 8.969 1.00 0.00 C ATOM 1493 C LEU A 97 96.932 4.576 7.726 1.00 0.00 C ATOM 1494 O LEU A 97 96.493 5.067 6.708 1.00 0.00 O ATOM 1495 CB LEU A 97 94.679 4.975 8.729 1.00 0.00 C ATOM 1496 CG LEU A 97 93.817 4.733 9.968 1.00 0.00 C ATOM 1497 CD1 LEU A 97 92.456 5.403 9.785 1.00 0.00 C ATOM 1498 CD2 LEU A 97 93.615 3.227 10.160 1.00 0.00 C ATOM 0 H LEU A 97 96.389 6.076 10.262 1.00 0.00 H new ATOM 0 HA LEU A 97 95.967 3.348 9.220 1.00 0.00 H new ATOM 0 HB2 LEU A 97 94.741 6.042 8.518 1.00 0.00 H new ATOM 0 HB3 LEU A 97 94.225 4.504 7.858 1.00 0.00 H new ATOM 0 HG LEU A 97 94.315 5.153 10.842 1.00 0.00 H new ATOM 0 HD11 LEU A 97 91.843 5.229 10.669 1.00 0.00 H new ATOM 0 HD12 LEU A 97 92.594 6.475 9.644 1.00 0.00 H new ATOM 0 HD13 LEU A 97 91.959 4.983 8.911 1.00 0.00 H new ATOM 0 HD21 LEU A 97 93.001 3.052 11.043 1.00 0.00 H new ATOM 0 HD22 LEU A 97 93.117 2.812 9.284 1.00 0.00 H new ATOM 0 HD23 LEU A 97 94.583 2.744 10.290 1.00 0.00 H new ATOM 1510 N ASN A 98 98.167 4.177 7.818 1.00 0.00 N ATOM 1511 CA ASN A 98 99.085 4.326 6.667 1.00 0.00 C ATOM 1512 C ASN A 98 98.829 3.200 5.667 1.00 0.00 C ATOM 1513 O ASN A 98 99.491 2.181 5.671 1.00 0.00 O ATOM 1514 CB ASN A 98 100.524 4.262 7.176 1.00 0.00 C ATOM 1515 CG ASN A 98 101.490 4.573 6.035 1.00 0.00 C ATOM 1516 OD1 ASN A 98 102.315 3.754 5.684 1.00 0.00 O ATOM 1517 ND2 ASN A 98 101.424 5.731 5.437 1.00 0.00 N ATOM 0 H ASN A 98 98.579 3.752 8.648 1.00 0.00 H new ATOM 0 HA ASN A 98 98.918 5.282 6.171 1.00 0.00 H new ATOM 0 HB2 ASN A 98 100.664 4.975 7.988 1.00 0.00 H new ATOM 0 HB3 ASN A 98 100.732 3.272 7.582 1.00 0.00 H new ATOM 0 HD21 ASN A 98 102.066 5.948 4.674 1.00 0.00 H new ATOM 0 HD22 ASN A 98 100.731 6.419 5.732 1.00 0.00 H new ATOM 1524 N VAL A 99 97.869 3.387 4.804 1.00 0.00 N ATOM 1525 CA VAL A 99 97.550 2.348 3.789 1.00 0.00 C ATOM 1526 C VAL A 99 96.779 3.002 2.646 1.00 0.00 C ATOM 1527 O VAL A 99 96.145 4.024 2.822 1.00 0.00 O ATOM 1528 CB VAL A 99 96.690 1.251 4.425 1.00 0.00 C ATOM 1529 CG1 VAL A 99 95.498 1.879 5.149 1.00 0.00 C ATOM 1530 CG2 VAL A 99 96.172 0.317 3.333 1.00 0.00 C ATOM 0 H VAL A 99 97.287 4.224 4.760 1.00 0.00 H new ATOM 0 HA VAL A 99 98.471 1.903 3.412 1.00 0.00 H new ATOM 0 HB VAL A 99 97.295 0.691 5.138 1.00 0.00 H new ATOM 0 HG11 VAL A 99 94.891 1.094 5.599 1.00 0.00 H new ATOM 0 HG12 VAL A 99 95.858 2.550 5.928 1.00 0.00 H new ATOM 0 HG13 VAL A 99 94.894 2.441 4.436 1.00 0.00 H new ATOM 0 HG21 VAL A 99 95.560 -0.465 3.783 1.00 0.00 H new ATOM 0 HG22 VAL A 99 95.571 0.885 2.623 1.00 0.00 H new ATOM 0 HG23 VAL A 99 97.015 -0.137 2.813 1.00 0.00 H new ATOM 1540 N THR A 100 96.818 2.425 1.481 1.00 0.00 N ATOM 1541 CA THR A 100 96.071 3.020 0.340 1.00 0.00 C ATOM 1542 C THR A 100 95.088 1.985 -0.208 1.00 0.00 C ATOM 1543 O THR A 100 95.360 0.799 -0.210 1.00 0.00 O ATOM 1544 CB THR A 100 97.045 3.434 -0.766 1.00 0.00 C ATOM 1545 OG1 THR A 100 97.606 2.276 -1.368 1.00 0.00 O ATOM 1546 CG2 THR A 100 98.160 4.294 -0.173 1.00 0.00 C ATOM 0 H THR A 100 97.332 1.570 1.269 1.00 0.00 H new ATOM 0 HA THR A 100 95.529 3.901 0.683 1.00 0.00 H new ATOM 0 HB THR A 100 96.508 4.009 -1.521 1.00 0.00 H new ATOM 0 HG1 THR A 100 98.228 2.544 -2.077 1.00 0.00 H new ATOM 0 HG21 THR A 100 98.852 4.587 -0.962 1.00 0.00 H new ATOM 0 HG22 THR A 100 97.729 5.186 0.282 1.00 0.00 H new ATOM 0 HG23 THR A 100 98.696 3.723 0.585 1.00 0.00 H new ATOM 1554 N LEU A 101 93.950 2.417 -0.677 1.00 0.00 N ATOM 1555 CA LEU A 101 92.955 1.452 -1.226 1.00 0.00 C ATOM 1556 C LEU A 101 93.366 1.082 -2.652 1.00 0.00 C ATOM 1557 O LEU A 101 92.700 1.415 -3.611 1.00 0.00 O ATOM 1558 CB LEU A 101 91.562 2.106 -1.227 1.00 0.00 C ATOM 1559 CG LEU A 101 91.206 2.575 0.194 1.00 0.00 C ATOM 1560 CD1 LEU A 101 89.743 3.022 0.250 1.00 0.00 C ATOM 1561 CD2 LEU A 101 91.405 1.433 1.183 1.00 0.00 C ATOM 0 H LEU A 101 93.666 3.396 -0.704 1.00 0.00 H new ATOM 0 HA LEU A 101 92.921 0.551 -0.613 1.00 0.00 H new ATOM 0 HB2 LEU A 101 91.548 2.953 -1.913 1.00 0.00 H new ATOM 0 HB3 LEU A 101 90.816 1.395 -1.583 1.00 0.00 H new ATOM 0 HG LEU A 101 91.856 3.410 0.455 1.00 0.00 H new ATOM 0 HD11 LEU A 101 89.502 3.352 1.260 1.00 0.00 H new ATOM 0 HD12 LEU A 101 89.587 3.845 -0.447 1.00 0.00 H new ATOM 0 HD13 LEU A 101 89.097 2.188 -0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 101 91.151 1.773 2.187 1.00 0.00 H new ATOM 0 HD22 LEU A 101 90.761 0.598 0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 101 92.446 1.110 1.162 1.00 0.00 H new ATOM 1573 N ALA A 102 94.479 0.417 -2.797 1.00 0.00 N ATOM 1574 CA ALA A 102 94.960 0.055 -4.159 1.00 0.00 C ATOM 1575 C ALA A 102 94.628 -1.399 -4.527 1.00 0.00 C ATOM 1576 O ALA A 102 94.596 -1.741 -5.692 1.00 0.00 O ATOM 1577 CB ALA A 102 96.472 0.247 -4.216 1.00 0.00 C ATOM 0 H ALA A 102 95.076 0.109 -2.030 1.00 0.00 H new ATOM 0 HA ALA A 102 94.453 0.703 -4.874 1.00 0.00 H new ATOM 0 HB1 ALA A 102 96.835 -0.015 -5.210 1.00 0.00 H new ATOM 0 HB2 ALA A 102 96.715 1.288 -4.004 1.00 0.00 H new ATOM 0 HB3 ALA A 102 96.948 -0.394 -3.475 1.00 0.00 H new ATOM 1583 N TYR A 103 94.416 -2.270 -3.574 1.00 0.00 N ATOM 1584 CA TYR A 103 94.138 -3.687 -3.949 1.00 0.00 C ATOM 1585 C TYR A 103 92.716 -4.092 -3.541 1.00 0.00 C ATOM 1586 O TYR A 103 92.407 -4.184 -2.373 1.00 0.00 O ATOM 1587 CB TYR A 103 95.145 -4.600 -3.242 1.00 0.00 C ATOM 1588 CG TYR A 103 96.535 -4.287 -3.750 1.00 0.00 C ATOM 1589 CD1 TYR A 103 97.017 -4.921 -4.901 1.00 0.00 C ATOM 1590 CD2 TYR A 103 97.335 -3.351 -3.079 1.00 0.00 C ATOM 1591 CE1 TYR A 103 98.295 -4.618 -5.385 1.00 0.00 C ATOM 1592 CE2 TYR A 103 98.616 -3.052 -3.561 1.00 0.00 C ATOM 1593 CZ TYR A 103 99.095 -3.684 -4.715 1.00 0.00 C ATOM 1594 OH TYR A 103 100.353 -3.381 -5.199 1.00 0.00 O ATOM 0 H TYR A 103 94.423 -2.068 -2.574 1.00 0.00 H new ATOM 0 HA TYR A 103 94.230 -3.786 -5.031 1.00 0.00 H new ATOM 0 HB2 TYR A 103 95.096 -4.451 -2.163 1.00 0.00 H new ATOM 0 HB3 TYR A 103 94.902 -5.646 -3.430 1.00 0.00 H new ATOM 0 HD1 TYR A 103 96.402 -5.644 -5.416 1.00 0.00 H new ATOM 0 HD2 TYR A 103 96.964 -2.861 -2.191 1.00 0.00 H new ATOM 0 HE1 TYR A 103 98.664 -5.105 -6.276 1.00 0.00 H new ATOM 0 HE2 TYR A 103 99.234 -2.334 -3.042 1.00 0.00 H new ATOM 0 HH TYR A 103 100.775 -2.714 -4.618 1.00 0.00 H new ATOM 1604 N PRO A 104 91.857 -4.367 -4.500 1.00 0.00 N ATOM 1605 CA PRO A 104 90.464 -4.809 -4.209 1.00 0.00 C ATOM 1606 C PRO A 104 90.451 -6.150 -3.462 1.00 0.00 C ATOM 1607 O PRO A 104 91.384 -6.921 -3.553 1.00 0.00 O ATOM 1608 CB PRO A 104 89.809 -4.983 -5.581 1.00 0.00 C ATOM 1609 CG PRO A 104 90.742 -4.402 -6.595 1.00 0.00 C ATOM 1610 CD PRO A 104 92.118 -4.281 -5.948 1.00 0.00 C ATOM 0 HA PRO A 104 89.944 -4.088 -3.578 1.00 0.00 H new ATOM 0 HB2 PRO A 104 89.624 -6.037 -5.788 1.00 0.00 H new ATOM 0 HB3 PRO A 104 88.844 -4.478 -5.613 1.00 0.00 H new ATOM 0 HG2 PRO A 104 90.790 -5.038 -7.479 1.00 0.00 H new ATOM 0 HG3 PRO A 104 90.388 -3.425 -6.925 1.00 0.00 H new ATOM 0 HD2 PRO A 104 92.783 -5.079 -6.279 1.00 0.00 H new ATOM 0 HD3 PRO A 104 92.597 -3.337 -6.209 1.00 0.00 H new ATOM 1618 N VAL A 105 89.406 -6.443 -2.735 1.00 0.00 N ATOM 1619 CA VAL A 105 89.362 -7.749 -2.008 1.00 0.00 C ATOM 1620 C VAL A 105 89.013 -8.870 -2.993 1.00 0.00 C ATOM 1621 O VAL A 105 89.424 -10.002 -2.829 1.00 0.00 O ATOM 1622 CB VAL A 105 88.316 -7.704 -0.885 1.00 0.00 C ATOM 1623 CG1 VAL A 105 86.908 -7.589 -1.479 1.00 0.00 C ATOM 1624 CG2 VAL A 105 88.400 -8.988 -0.054 1.00 0.00 C ATOM 0 H VAL A 105 88.589 -5.844 -2.612 1.00 0.00 H new ATOM 0 HA VAL A 105 90.340 -7.939 -1.566 1.00 0.00 H new ATOM 0 HB VAL A 105 88.516 -6.837 -0.255 1.00 0.00 H new ATOM 0 HG11 VAL A 105 86.175 -7.558 -0.673 1.00 0.00 H new ATOM 0 HG12 VAL A 105 86.836 -6.676 -2.071 1.00 0.00 H new ATOM 0 HG13 VAL A 105 86.710 -8.451 -2.116 1.00 0.00 H new ATOM 0 HG21 VAL A 105 87.657 -8.955 0.743 1.00 0.00 H new ATOM 0 HG22 VAL A 105 88.207 -9.849 -0.694 1.00 0.00 H new ATOM 0 HG23 VAL A 105 89.395 -9.075 0.381 1.00 0.00 H new ATOM 1634 N TYR A 106 88.257 -8.568 -4.016 1.00 0.00 N ATOM 1635 CA TYR A 106 87.883 -9.621 -5.004 1.00 0.00 C ATOM 1636 C TYR A 106 88.772 -9.523 -6.241 1.00 0.00 C ATOM 1637 O TYR A 106 88.363 -9.846 -7.338 1.00 0.00 O ATOM 1638 CB TYR A 106 86.417 -9.462 -5.407 1.00 0.00 C ATOM 1639 CG TYR A 106 85.538 -10.002 -4.315 1.00 0.00 C ATOM 1640 CD1 TYR A 106 85.521 -11.374 -4.055 1.00 0.00 C ATOM 1641 CD2 TYR A 106 84.735 -9.136 -3.568 1.00 0.00 C ATOM 1642 CE1 TYR A 106 84.700 -11.884 -3.046 1.00 0.00 C ATOM 1643 CE2 TYR A 106 83.915 -9.643 -2.557 1.00 0.00 C ATOM 1644 CZ TYR A 106 83.896 -11.019 -2.297 1.00 0.00 C ATOM 1645 OH TYR A 106 83.084 -11.521 -1.302 1.00 0.00 O ATOM 0 H TYR A 106 87.883 -7.639 -4.209 1.00 0.00 H new ATOM 0 HA TYR A 106 88.024 -10.599 -4.544 1.00 0.00 H new ATOM 0 HB2 TYR A 106 86.189 -8.411 -5.586 1.00 0.00 H new ATOM 0 HB3 TYR A 106 86.225 -9.993 -6.339 1.00 0.00 H new ATOM 0 HD1 TYR A 106 86.143 -12.041 -4.634 1.00 0.00 H new ATOM 0 HD2 TYR A 106 84.748 -8.076 -3.772 1.00 0.00 H new ATOM 0 HE1 TYR A 106 84.686 -12.945 -2.845 1.00 0.00 H new ATOM 0 HE2 TYR A 106 83.296 -8.975 -1.977 1.00 0.00 H new ATOM 0 HH TYR A 106 83.335 -11.122 -0.443 1.00 0.00 H new ATOM 1655 N ALA A 107 89.988 -9.089 -6.073 1.00 0.00 N ATOM 1656 CA ALA A 107 90.900 -8.981 -7.243 1.00 0.00 C ATOM 1657 C ALA A 107 91.450 -10.368 -7.580 1.00 0.00 C ATOM 1658 O ALA A 107 92.465 -10.500 -8.235 1.00 0.00 O ATOM 1659 CB ALA A 107 92.057 -8.035 -6.911 1.00 0.00 C ATOM 0 H ALA A 107 90.389 -8.805 -5.179 1.00 0.00 H new ATOM 0 HA ALA A 107 90.352 -8.586 -8.098 1.00 0.00 H new ATOM 0 HB1 ALA A 107 92.723 -7.959 -7.771 1.00 0.00 H new ATOM 0 HB2 ALA A 107 91.662 -7.048 -6.669 1.00 0.00 H new ATOM 0 HB3 ALA A 107 92.611 -8.424 -6.057 1.00 0.00 H new