USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 687 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 CYS SG : rot 160:sc= 0.0533 USER MOD Set 1.2: A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 40 MET CE :methyl -108:sc= -1.67 (180deg=-4.12!) USER MOD Set 2.2: A 41 TYR OH : rot 30:sc= -0.133 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 160:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0261 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 9 LYS NZ :NH3+ -160:sc= -0.0266 (180deg=-0.261) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -0.0373 X(o=-0.037,f=-0.46) USER MOD Single : A 18 LYS NZ :NH3+ 163:sc= -0.0051 (180deg=-0.159) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 106:sc= 0.0744 USER MOD Single : A 32 HIS :FLIP no HE2:sc= 0.0822 F(o=-2.7!,f=0.082) USER MOD Single : A 36 GLN : amide:sc= -0.386 X(o=-0.39,f=-0.64) USER MOD Single : A 43 TYR OH : rot -114:sc= 0.162 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN :FLIP amide:sc= -0.338 F(o=-2.4,f=-0.34) USER MOD Single : A 52 SER OG : rot 45:sc= 0.243 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.0605 K(o=-0.06,f=-1.9) USER MOD Single : A 60 ASN :FLIP amide:sc= -3.64 F(o=-7.1!,f=-3.6) USER MOD Single : A 62 MET CE :methyl -160:sc= -3.24! (180deg=-3.99!) USER MOD Single : A 63 ASN :FLIP amide:sc= 0.183 F(o=-4.2!,f=0.18) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.0159 K(o=-0.016,f=-1.3) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot -70:sc= 0.734 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.0675 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.403 15.589 11.882 1.00 0.00 N ATOM 2 CA GLY A 1 -1.856 16.573 12.848 1.00 0.00 C ATOM 3 C GLY A 1 -3.065 17.348 12.362 1.00 0.00 C ATOM 4 O GLY A 1 -4.142 17.265 12.953 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.575 15.086 12.261 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.167 14.908 11.696 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.142 16.067 10.996 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.102 16.072 13.784 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.044 17.268 13.062 1.00 0.00 H new ATOM 8 N SER A 2 -2.888 18.104 11.284 1.00 0.00 N ATOM 9 CA SER A 2 -3.973 18.901 10.723 1.00 0.00 C ATOM 10 C SER A 2 -3.960 18.840 9.199 1.00 0.00 C ATOM 11 O SER A 2 -3.052 18.266 8.597 1.00 0.00 O ATOM 12 CB SER A 2 -3.858 20.355 11.187 1.00 0.00 C ATOM 13 OG SER A 2 -2.857 21.045 10.459 1.00 0.00 O ATOM 0 H SER A 2 -2.004 18.182 10.781 1.00 0.00 H new ATOM 0 HA SER A 2 -4.917 18.487 11.078 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.817 20.858 11.059 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.623 20.383 12.251 1.00 0.00 H new ATOM 0 HG SER A 2 -2.804 21.972 10.773 1.00 0.00 H new ATOM 19 N SER A 3 -4.975 19.434 8.580 1.00 0.00 N ATOM 20 CA SER A 3 -5.084 19.444 7.126 1.00 0.00 C ATOM 21 C SER A 3 -3.880 20.137 6.496 1.00 0.00 C ATOM 22 O SER A 3 -3.650 21.326 6.711 1.00 0.00 O ATOM 23 CB SER A 3 -6.373 20.146 6.695 1.00 0.00 C ATOM 24 OG SER A 3 -7.499 19.593 7.354 1.00 0.00 O ATOM 0 H SER A 3 -5.734 19.915 9.063 1.00 0.00 H new ATOM 0 HA SER A 3 -5.108 18.410 6.781 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.303 21.211 6.918 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.498 20.054 5.616 1.00 0.00 H new ATOM 0 HG SER A 3 -8.310 20.060 7.063 1.00 0.00 H new ATOM 30 N GLY A 4 -3.113 19.382 5.714 1.00 0.00 N ATOM 31 CA GLY A 4 -1.941 19.939 5.064 1.00 0.00 C ATOM 32 C GLY A 4 -2.268 20.585 3.732 1.00 0.00 C ATOM 33 O GLY A 4 -1.808 21.688 3.439 1.00 0.00 O ATOM 0 H GLY A 4 -3.283 18.395 5.519 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.483 20.679 5.720 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.205 19.150 4.910 1.00 0.00 H new ATOM 37 N SER A 5 -3.065 19.895 2.922 1.00 0.00 N ATOM 38 CA SER A 5 -3.450 20.405 1.611 1.00 0.00 C ATOM 39 C SER A 5 -4.968 20.493 1.487 1.00 0.00 C ATOM 40 O SER A 5 -5.691 19.601 1.929 1.00 0.00 O ATOM 41 CB SER A 5 -2.887 19.509 0.507 1.00 0.00 C ATOM 42 OG SER A 5 -2.916 20.167 -0.748 1.00 0.00 O ATOM 0 H SER A 5 -3.457 18.981 3.151 1.00 0.00 H new ATOM 0 HA SER A 5 -3.036 21.407 1.502 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.862 19.227 0.750 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.466 18.587 0.451 1.00 0.00 H new ATOM 0 HG SER A 5 -2.283 19.735 -1.359 1.00 0.00 H new ATOM 48 N SER A 6 -5.443 21.577 0.881 1.00 0.00 N ATOM 49 CA SER A 6 -6.875 21.785 0.701 1.00 0.00 C ATOM 50 C SER A 6 -7.210 22.011 -0.771 1.00 0.00 C ATOM 51 O SER A 6 -8.137 21.406 -1.308 1.00 0.00 O ATOM 52 CB SER A 6 -7.347 22.979 1.532 1.00 0.00 C ATOM 53 OG SER A 6 -6.636 24.155 1.185 1.00 0.00 O ATOM 0 H SER A 6 -4.858 22.324 0.507 1.00 0.00 H new ATOM 0 HA SER A 6 -7.393 20.888 1.040 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.414 23.136 1.375 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.208 22.766 2.592 1.00 0.00 H new ATOM 0 HG SER A 6 -6.957 24.904 1.729 1.00 0.00 H new ATOM 59 N GLY A 7 -6.448 22.888 -1.417 1.00 0.00 N ATOM 60 CA GLY A 7 -6.679 23.180 -2.819 1.00 0.00 C ATOM 61 C GLY A 7 -6.455 21.972 -3.707 1.00 0.00 C ATOM 62 O GLY A 7 -7.292 21.652 -4.551 1.00 0.00 O ATOM 0 H GLY A 7 -5.675 23.401 -0.994 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.700 23.538 -2.949 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.016 23.986 -3.133 1.00 0.00 H new ATOM 66 N GLN A 8 -5.323 21.302 -3.518 1.00 0.00 N ATOM 67 CA GLN A 8 -4.992 20.124 -4.311 1.00 0.00 C ATOM 68 C GLN A 8 -5.644 18.874 -3.728 1.00 0.00 C ATOM 69 O GLN A 8 -5.388 18.505 -2.581 1.00 0.00 O ATOM 70 CB GLN A 8 -3.475 19.938 -4.378 1.00 0.00 C ATOM 71 CG GLN A 8 -3.044 18.759 -5.236 1.00 0.00 C ATOM 72 CD GLN A 8 -1.604 18.355 -4.990 1.00 0.00 C ATOM 73 OE1 GLN A 8 -0.726 19.204 -4.833 1.00 0.00 O ATOM 74 NE2 GLN A 8 -1.353 17.051 -4.954 1.00 0.00 N ATOM 0 H GLN A 8 -4.620 21.554 -2.823 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.377 20.276 -5.319 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -3.023 20.848 -4.772 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -3.089 19.802 -3.368 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.696 17.909 -5.033 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.171 19.014 -6.288 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -2.111 16.382 -5.089 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -0.402 16.719 -4.791 1.00 0.00 H new ATOM 83 N LYS A 9 -6.488 18.227 -4.524 1.00 0.00 N ATOM 84 CA LYS A 9 -7.176 17.018 -4.088 1.00 0.00 C ATOM 85 C LYS A 9 -6.799 15.830 -4.968 1.00 0.00 C ATOM 86 O LYS A 9 -7.657 15.043 -5.366 1.00 0.00 O ATOM 87 CB LYS A 9 -8.691 17.229 -4.121 1.00 0.00 C ATOM 88 CG LYS A 9 -9.243 17.462 -5.516 1.00 0.00 C ATOM 89 CD LYS A 9 -9.234 18.938 -5.880 1.00 0.00 C ATOM 90 CE LYS A 9 -10.512 19.631 -5.433 1.00 0.00 C ATOM 91 NZ LYS A 9 -11.687 19.202 -6.240 1.00 0.00 N ATOM 0 H LYS A 9 -6.712 18.520 -5.475 1.00 0.00 H new ATOM 0 HA LYS A 9 -6.867 16.803 -3.065 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.180 16.357 -3.687 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.944 18.083 -3.492 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.650 16.904 -6.241 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.262 17.078 -5.574 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.375 19.423 -5.416 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.118 19.047 -6.958 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.695 19.412 -4.381 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.388 20.711 -5.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.445 19.909 -6.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.409 19.113 -7.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.030 18.283 -5.893 1.00 0.00 H new ATOM 105 N GLY A 10 -5.510 15.706 -5.267 1.00 0.00 N ATOM 106 CA GLY A 10 -5.042 14.610 -6.096 1.00 0.00 C ATOM 107 C GLY A 10 -5.512 13.260 -5.592 1.00 0.00 C ATOM 108 O GLY A 10 -6.162 12.510 -6.321 1.00 0.00 O ATOM 0 H GLY A 10 -4.781 16.345 -4.950 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.393 14.755 -7.117 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.953 14.623 -6.129 1.00 0.00 H new ATOM 112 N TRP A 11 -5.183 12.949 -4.344 1.00 0.00 N ATOM 113 CA TRP A 11 -5.575 11.679 -3.744 1.00 0.00 C ATOM 114 C TRP A 11 -6.781 11.858 -2.829 1.00 0.00 C ATOM 115 O TRP A 11 -6.815 12.770 -2.002 1.00 0.00 O ATOM 116 CB TRP A 11 -4.407 11.081 -2.958 1.00 0.00 C ATOM 117 CG TRP A 11 -4.758 9.809 -2.247 1.00 0.00 C ATOM 118 CD1 TRP A 11 -5.593 9.673 -1.175 1.00 0.00 C ATOM 119 CD2 TRP A 11 -4.284 8.494 -2.558 1.00 0.00 C ATOM 120 NE1 TRP A 11 -5.665 8.353 -0.800 1.00 0.00 N ATOM 121 CE2 TRP A 11 -4.872 7.610 -1.633 1.00 0.00 C ATOM 122 CE3 TRP A 11 -3.421 7.978 -3.528 1.00 0.00 C ATOM 123 CZ2 TRP A 11 -4.623 6.240 -1.651 1.00 0.00 C ATOM 124 CZ3 TRP A 11 -3.174 6.618 -3.544 1.00 0.00 C ATOM 125 CH2 TRP A 11 -3.774 5.762 -2.612 1.00 0.00 C ATOM 0 H TRP A 11 -4.646 13.559 -3.728 1.00 0.00 H new ATOM 0 HA TRP A 11 -5.851 10.996 -4.547 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -3.579 10.890 -3.641 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -4.057 11.812 -2.229 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.119 10.484 -0.693 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -6.219 7.986 -0.026 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.955 8.630 -4.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -5.083 5.578 -0.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.507 6.209 -4.288 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -3.562 4.704 -2.652 1.00 0.00 H new ATOM 136 N PHE A 12 -7.769 10.982 -2.981 1.00 0.00 N ATOM 137 CA PHE A 12 -8.977 11.045 -2.167 1.00 0.00 C ATOM 138 C PHE A 12 -9.238 9.709 -1.476 1.00 0.00 C ATOM 139 O PHE A 12 -9.078 8.638 -2.061 1.00 0.00 O ATOM 140 CB PHE A 12 -10.180 11.427 -3.032 1.00 0.00 C ATOM 141 CG PHE A 12 -10.463 10.445 -4.133 1.00 0.00 C ATOM 142 CD1 PHE A 12 -9.639 10.374 -5.244 1.00 0.00 C ATOM 143 CD2 PHE A 12 -11.553 9.593 -4.056 1.00 0.00 C ATOM 144 CE1 PHE A 12 -9.898 9.472 -6.259 1.00 0.00 C ATOM 145 CE2 PHE A 12 -11.817 8.689 -5.068 1.00 0.00 C ATOM 146 CZ PHE A 12 -10.987 8.628 -6.170 1.00 0.00 C ATOM 0 H PHE A 12 -7.757 10.221 -3.660 1.00 0.00 H new ATOM 0 HA PHE A 12 -8.830 11.807 -1.402 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -11.062 11.512 -2.397 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -10.006 12.410 -3.469 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -8.785 11.031 -5.318 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -12.204 9.636 -3.195 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -9.249 9.428 -7.121 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.671 8.032 -4.997 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.189 7.921 -6.961 1.00 0.00 H new ATOM 156 N PRO A 13 -9.647 9.774 -0.200 1.00 0.00 N ATOM 157 CA PRO A 13 -9.938 8.580 0.599 1.00 0.00 C ATOM 158 C PRO A 13 -11.197 7.860 0.128 1.00 0.00 C ATOM 159 O PRO A 13 -11.886 8.324 -0.780 1.00 0.00 O ATOM 160 CB PRO A 13 -10.137 9.138 2.010 1.00 0.00 C ATOM 161 CG PRO A 13 -10.564 10.550 1.803 1.00 0.00 C ATOM 162 CD PRO A 13 -9.858 11.017 0.560 1.00 0.00 C ATOM 0 HA PRO A 13 -9.143 7.838 0.528 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.892 8.572 2.556 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -9.216 9.084 2.590 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.646 10.618 1.686 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.296 11.168 2.660 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -10.460 11.733 0.001 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.914 11.509 0.795 1.00 0.00 H new ATOM 170 N ALA A 14 -11.492 6.724 0.752 1.00 0.00 N ATOM 171 CA ALA A 14 -12.670 5.942 0.399 1.00 0.00 C ATOM 172 C ALA A 14 -13.493 5.599 1.636 1.00 0.00 C ATOM 173 O ALA A 14 -14.042 4.503 1.743 1.00 0.00 O ATOM 174 CB ALA A 14 -12.260 4.673 -0.333 1.00 0.00 C ATOM 0 H ALA A 14 -10.931 6.325 1.505 1.00 0.00 H new ATOM 0 HA ALA A 14 -13.292 6.546 -0.262 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -13.149 4.098 -0.591 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.721 4.936 -1.243 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -11.615 4.074 0.310 1.00 0.00 H new ATOM 180 N SER A 15 -13.574 6.544 2.567 1.00 0.00 N ATOM 181 CA SER A 15 -14.327 6.340 3.800 1.00 0.00 C ATOM 182 C SER A 15 -15.590 7.195 3.813 1.00 0.00 C ATOM 183 O SER A 15 -15.537 8.404 3.581 1.00 0.00 O ATOM 184 CB SER A 15 -13.458 6.673 5.014 1.00 0.00 C ATOM 185 OG SER A 15 -12.379 5.762 5.135 1.00 0.00 O ATOM 0 H SER A 15 -13.128 7.458 2.491 1.00 0.00 H new ATOM 0 HA SER A 15 -14.620 5.291 3.849 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.072 7.688 4.921 1.00 0.00 H new ATOM 0 HB3 SER A 15 -14.065 6.644 5.919 1.00 0.00 H new ATOM 0 HG SER A 15 -11.838 5.998 5.917 1.00 0.00 H new ATOM 191 N HIS A 16 -16.725 6.560 4.086 1.00 0.00 N ATOM 192 CA HIS A 16 -18.003 7.262 4.130 1.00 0.00 C ATOM 193 C HIS A 16 -18.441 7.502 5.572 1.00 0.00 C ATOM 194 O HIS A 16 -18.532 6.567 6.367 1.00 0.00 O ATOM 195 CB HIS A 16 -19.073 6.464 3.385 1.00 0.00 C ATOM 196 CG HIS A 16 -20.463 6.977 3.603 1.00 0.00 C ATOM 197 ND1 HIS A 16 -20.877 8.227 3.194 1.00 0.00 N ATOM 198 CD2 HIS A 16 -21.538 6.401 4.191 1.00 0.00 C ATOM 199 CE1 HIS A 16 -22.145 8.398 3.522 1.00 0.00 C ATOM 200 NE2 HIS A 16 -22.570 7.304 4.128 1.00 0.00 N ATOM 0 H HIS A 16 -16.786 5.561 4.280 1.00 0.00 H new ATOM 0 HA HIS A 16 -17.876 8.228 3.642 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -18.851 6.482 2.318 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -19.025 5.422 3.703 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -21.576 5.414 4.628 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -22.734 9.282 3.328 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -23.512 7.154 4.490 1.00 0.00 H new ATOM 209 N VAL A 17 -18.711 8.761 5.902 1.00 0.00 N ATOM 210 CA VAL A 17 -19.140 9.123 7.247 1.00 0.00 C ATOM 211 C VAL A 17 -20.614 9.511 7.268 1.00 0.00 C ATOM 212 O VAL A 17 -21.027 10.462 6.604 1.00 0.00 O ATOM 213 CB VAL A 17 -18.305 10.291 7.807 1.00 0.00 C ATOM 214 CG1 VAL A 17 -18.821 10.708 9.175 1.00 0.00 C ATOM 215 CG2 VAL A 17 -16.834 9.909 7.876 1.00 0.00 C ATOM 0 H VAL A 17 -18.640 9.547 5.256 1.00 0.00 H new ATOM 0 HA VAL A 17 -18.990 8.244 7.874 1.00 0.00 H new ATOM 0 HB VAL A 17 -18.404 11.142 7.133 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -18.219 11.534 9.555 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -19.860 11.025 9.091 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -18.754 9.864 9.862 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -16.259 10.745 8.274 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -16.713 9.043 8.527 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -16.474 9.664 6.877 1.00 0.00 H new ATOM 225 N LYS A 18 -21.405 8.768 8.035 1.00 0.00 N ATOM 226 CA LYS A 18 -22.834 9.034 8.145 1.00 0.00 C ATOM 227 C LYS A 18 -23.215 9.374 9.582 1.00 0.00 C ATOM 228 O LYS A 18 -24.324 9.078 10.028 1.00 0.00 O ATOM 229 CB LYS A 18 -23.637 7.822 7.667 1.00 0.00 C ATOM 230 CG LYS A 18 -23.500 6.607 8.568 1.00 0.00 C ATOM 231 CD LYS A 18 -22.342 5.722 8.140 1.00 0.00 C ATOM 232 CE LYS A 18 -22.462 4.324 8.726 1.00 0.00 C ATOM 233 NZ LYS A 18 -23.549 3.541 8.075 1.00 0.00 N ATOM 0 H LYS A 18 -21.080 7.976 8.590 1.00 0.00 H new ATOM 0 HA LYS A 18 -23.069 9.891 7.513 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -24.690 8.098 7.600 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -23.313 7.556 6.661 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -23.349 6.932 9.598 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -24.426 6.032 8.547 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -22.313 5.660 7.052 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -21.402 6.172 8.459 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -21.515 3.798 8.608 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -22.656 4.394 9.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -23.421 2.530 8.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -24.470 3.855 8.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -23.516 3.690 7.046 1.00 0.00 H new ATOM 247 N LEU A 19 -22.289 9.998 10.303 1.00 0.00 N ATOM 248 CA LEU A 19 -22.529 10.381 11.690 1.00 0.00 C ATOM 249 C LEU A 19 -23.092 11.796 11.775 1.00 0.00 C ATOM 250 O LEU A 19 -22.599 12.713 11.116 1.00 0.00 O ATOM 251 CB LEU A 19 -21.233 10.286 12.497 1.00 0.00 C ATOM 252 CG LEU A 19 -20.911 8.915 13.091 1.00 0.00 C ATOM 253 CD1 LEU A 19 -21.983 8.501 14.088 1.00 0.00 C ATOM 254 CD2 LEU A 19 -20.774 7.874 11.989 1.00 0.00 C ATOM 0 H LEU A 19 -21.366 10.249 9.950 1.00 0.00 H new ATOM 0 HA LEU A 19 -23.263 9.693 12.110 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -20.405 10.584 11.854 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -21.281 11.010 13.311 1.00 0.00 H new ATOM 0 HG LEU A 19 -19.959 8.983 13.618 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -21.737 7.523 14.501 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -22.032 9.233 14.894 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -22.948 8.450 13.584 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -20.545 6.904 12.431 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -21.709 7.807 11.433 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -19.970 8.164 11.313 1.00 0.00 H new ATOM 266 N LEU A 20 -24.125 11.968 12.592 1.00 0.00 N ATOM 267 CA LEU A 20 -24.755 13.272 12.766 1.00 0.00 C ATOM 268 C LEU A 20 -24.443 13.848 14.144 1.00 0.00 C ATOM 269 O LEU A 20 -24.619 13.180 15.161 1.00 0.00 O ATOM 270 CB LEU A 20 -26.268 13.159 12.578 1.00 0.00 C ATOM 271 CG LEU A 20 -27.025 12.398 13.667 1.00 0.00 C ATOM 272 CD1 LEU A 20 -27.466 13.345 14.773 1.00 0.00 C ATOM 273 CD2 LEU A 20 -28.223 11.670 13.076 1.00 0.00 C ATOM 0 H LEU A 20 -24.544 11.220 13.145 1.00 0.00 H new ATOM 0 HA LEU A 20 -24.351 13.947 12.011 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -26.682 14.165 12.511 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -26.460 12.672 11.622 1.00 0.00 H new ATOM 0 HG LEU A 20 -26.352 11.657 14.099 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -28.003 12.785 15.539 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -26.590 13.819 15.217 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -28.121 14.110 14.357 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -28.749 11.134 13.866 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -28.897 12.393 12.616 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -27.882 10.961 12.322 1.00 0.00 H new ATOM 285 N GLY A 21 -23.980 15.094 14.168 1.00 0.00 N ATOM 286 CA GLY A 21 -23.654 15.740 15.426 1.00 0.00 C ATOM 287 C GLY A 21 -22.159 15.827 15.662 1.00 0.00 C ATOM 288 O GLY A 21 -21.355 15.724 14.735 1.00 0.00 O ATOM 0 H GLY A 21 -23.825 15.668 13.339 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -24.080 16.743 15.437 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -24.117 15.189 16.245 1.00 0.00 H new ATOM 292 N PRO A 22 -21.767 16.022 16.930 1.00 0.00 N ATOM 293 CA PRO A 22 -20.356 16.129 17.314 1.00 0.00 C ATOM 294 C PRO A 22 -19.619 14.800 17.188 1.00 0.00 C ATOM 295 O PRO A 22 -19.647 13.975 18.101 1.00 0.00 O ATOM 296 CB PRO A 22 -20.420 16.568 18.780 1.00 0.00 C ATOM 297 CG PRO A 22 -21.740 16.077 19.265 1.00 0.00 C ATOM 298 CD PRO A 22 -22.670 16.154 18.085 1.00 0.00 C ATOM 0 HA PRO A 22 -19.810 16.819 16.671 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -19.601 16.139 19.358 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -20.342 17.651 18.873 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -21.664 15.055 19.636 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -22.105 16.689 20.090 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -23.414 15.357 18.107 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -23.215 17.098 18.063 1.00 0.00 H new ATOM 306 N SER A 23 -18.960 14.600 16.051 1.00 0.00 N ATOM 307 CA SER A 23 -18.218 13.369 15.805 1.00 0.00 C ATOM 308 C SER A 23 -16.762 13.517 16.236 1.00 0.00 C ATOM 309 O SER A 23 -15.895 13.851 15.428 1.00 0.00 O ATOM 310 CB SER A 23 -18.287 12.995 14.323 1.00 0.00 C ATOM 311 OG SER A 23 -17.621 11.769 14.074 1.00 0.00 O ATOM 0 H SER A 23 -18.925 15.274 15.286 1.00 0.00 H new ATOM 0 HA SER A 23 -18.675 12.574 16.395 1.00 0.00 H new ATOM 0 HB2 SER A 23 -19.329 12.916 14.013 1.00 0.00 H new ATOM 0 HB3 SER A 23 -17.835 13.786 13.724 1.00 0.00 H new ATOM 0 HG SER A 23 -17.681 11.552 13.120 1.00 0.00 H new ATOM 317 N SER A 24 -16.501 13.265 17.514 1.00 0.00 N ATOM 318 CA SER A 24 -15.151 13.374 18.055 1.00 0.00 C ATOM 319 C SER A 24 -14.764 12.105 18.808 1.00 0.00 C ATOM 320 O SER A 24 -14.920 12.021 20.026 1.00 0.00 O ATOM 321 CB SER A 24 -15.048 14.584 18.986 1.00 0.00 C ATOM 322 OG SER A 24 -15.219 15.795 18.270 1.00 0.00 O ATOM 0 H SER A 24 -17.207 12.984 18.195 1.00 0.00 H new ATOM 0 HA SER A 24 -14.461 13.506 17.221 1.00 0.00 H new ATOM 0 HB2 SER A 24 -15.804 14.510 19.768 1.00 0.00 H new ATOM 0 HB3 SER A 24 -14.077 14.584 19.481 1.00 0.00 H new ATOM 0 HG SER A 24 -15.151 16.553 18.888 1.00 0.00 H new ATOM 328 N GLU A 25 -14.258 11.119 18.073 1.00 0.00 N ATOM 329 CA GLU A 25 -13.849 9.854 18.670 1.00 0.00 C ATOM 330 C GLU A 25 -12.361 9.602 18.446 1.00 0.00 C ATOM 331 O GLU A 25 -11.852 9.773 17.338 1.00 0.00 O ATOM 332 CB GLU A 25 -14.667 8.700 18.085 1.00 0.00 C ATOM 333 CG GLU A 25 -14.272 7.337 18.629 1.00 0.00 C ATOM 334 CD GLU A 25 -14.498 7.217 20.123 1.00 0.00 C ATOM 335 OE1 GLU A 25 -15.643 6.930 20.529 1.00 0.00 O ATOM 336 OE2 GLU A 25 -13.529 7.410 20.887 1.00 0.00 O ATOM 0 H GLU A 25 -14.122 11.173 17.064 1.00 0.00 H new ATOM 0 HA GLU A 25 -14.032 9.912 19.743 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -15.723 8.873 18.293 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -14.551 8.697 17.001 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -14.845 6.565 18.116 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -13.221 7.153 18.409 1.00 0.00 H new ATOM 343 N ARG A 26 -11.669 9.194 19.505 1.00 0.00 N ATOM 344 CA ARG A 26 -10.240 8.920 19.424 1.00 0.00 C ATOM 345 C ARG A 26 -9.965 7.730 18.510 1.00 0.00 C ATOM 346 O ARG A 26 -10.767 6.801 18.426 1.00 0.00 O ATOM 347 CB ARG A 26 -9.672 8.648 20.818 1.00 0.00 C ATOM 348 CG ARG A 26 -10.054 7.286 21.376 1.00 0.00 C ATOM 349 CD ARG A 26 -8.971 6.736 22.292 1.00 0.00 C ATOM 350 NE ARG A 26 -7.684 6.625 21.612 1.00 0.00 N ATOM 351 CZ ARG A 26 -6.547 6.332 22.235 1.00 0.00 C ATOM 352 NH1 ARG A 26 -6.539 6.123 23.544 1.00 0.00 N ATOM 353 NH2 ARG A 26 -5.415 6.249 21.547 1.00 0.00 N ATOM 0 H ARG A 26 -12.075 9.046 20.429 1.00 0.00 H new ATOM 0 HA ARG A 26 -9.750 9.799 19.004 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -8.585 8.724 20.780 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.022 9.422 21.501 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.991 7.367 21.926 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.226 6.590 20.555 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -8.867 7.386 23.161 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.272 5.755 22.661 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.656 6.781 20.604 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.407 6.187 24.076 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.665 5.898 24.019 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.417 6.410 20.540 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -4.543 6.024 22.025 1.00 0.00 H new ATOM 367 N ALA A 27 -8.826 7.767 17.825 1.00 0.00 N ATOM 368 CA ALA A 27 -8.445 6.692 16.918 1.00 0.00 C ATOM 369 C ALA A 27 -8.914 5.339 17.443 1.00 0.00 C ATOM 370 O ALA A 27 -8.568 4.937 18.554 1.00 0.00 O ATOM 371 CB ALA A 27 -6.937 6.685 16.712 1.00 0.00 C ATOM 0 H ALA A 27 -8.152 8.530 17.881 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.932 6.870 15.959 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.666 5.877 16.032 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.624 7.638 16.286 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.440 6.535 17.670 1.00 0.00 H new ATOM 377 N THR A 28 -9.706 4.639 16.636 1.00 0.00 N ATOM 378 CA THR A 28 -10.225 3.333 17.019 1.00 0.00 C ATOM 379 C THR A 28 -9.138 2.267 16.949 1.00 0.00 C ATOM 380 O THR A 28 -8.313 2.246 16.035 1.00 0.00 O ATOM 381 CB THR A 28 -11.401 2.909 16.119 1.00 0.00 C ATOM 382 OG1 THR A 28 -11.016 2.985 14.742 1.00 0.00 O ATOM 383 CG2 THR A 28 -12.614 3.795 16.361 1.00 0.00 C ATOM 0 H THR A 28 -10.002 4.956 15.713 1.00 0.00 H new ATOM 0 HA THR A 28 -10.577 3.423 18.047 1.00 0.00 H new ATOM 0 HB THR A 28 -11.666 1.881 16.366 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.873 2.081 14.392 1.00 0.00 H new ATOM 0 HG21 THR A 28 -13.432 3.477 15.714 1.00 0.00 H new ATOM 0 HG22 THR A 28 -12.922 3.713 17.403 1.00 0.00 H new ATOM 0 HG23 THR A 28 -12.358 4.831 16.139 1.00 0.00 H new ATOM 391 N PRO A 29 -9.133 1.359 17.936 1.00 0.00 N ATOM 392 CA PRO A 29 -8.152 0.272 18.008 1.00 0.00 C ATOM 393 C PRO A 29 -8.362 -0.771 16.917 1.00 0.00 C ATOM 394 O PRO A 29 -7.429 -1.472 16.526 1.00 0.00 O ATOM 395 CB PRO A 29 -8.401 -0.340 19.389 1.00 0.00 C ATOM 396 CG PRO A 29 -9.820 -0.011 19.698 1.00 0.00 C ATOM 397 CD PRO A 29 -10.086 1.323 19.059 1.00 0.00 C ATOM 0 HA PRO A 29 -7.133 0.632 17.864 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -8.237 -1.418 19.380 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.726 0.079 20.135 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -10.492 -0.773 19.303 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -9.985 0.033 20.775 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -11.117 1.405 18.714 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -9.917 2.144 19.756 1.00 0.00 H new ATOM 405 N ALA A 30 -9.594 -0.870 16.428 1.00 0.00 N ATOM 406 CA ALA A 30 -9.926 -1.826 15.379 1.00 0.00 C ATOM 407 C ALA A 30 -10.032 -1.139 14.022 1.00 0.00 C ATOM 408 O ALA A 30 -10.687 -0.106 13.888 1.00 0.00 O ATOM 409 CB ALA A 30 -11.225 -2.544 15.712 1.00 0.00 C ATOM 0 H ALA A 30 -10.379 -0.299 16.742 1.00 0.00 H new ATOM 0 HA ALA A 30 -9.122 -2.559 15.323 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.461 -3.255 14.920 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.115 -3.076 16.657 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.032 -1.816 15.798 1.00 0.00 H new ATOM 415 N PHE A 31 -9.382 -1.719 13.018 1.00 0.00 N ATOM 416 CA PHE A 31 -9.402 -1.161 11.671 1.00 0.00 C ATOM 417 C PHE A 31 -9.703 -2.243 10.639 1.00 0.00 C ATOM 418 O PHE A 31 -9.275 -3.389 10.781 1.00 0.00 O ATOM 419 CB PHE A 31 -8.062 -0.495 11.353 1.00 0.00 C ATOM 420 CG PHE A 31 -6.906 -1.454 11.327 1.00 0.00 C ATOM 421 CD1 PHE A 31 -6.273 -1.827 12.502 1.00 0.00 C ATOM 422 CD2 PHE A 31 -6.454 -1.982 10.129 1.00 0.00 C ATOM 423 CE1 PHE A 31 -5.209 -2.709 12.481 1.00 0.00 C ATOM 424 CE2 PHE A 31 -5.390 -2.865 10.102 1.00 0.00 C ATOM 425 CZ PHE A 31 -4.768 -3.230 11.280 1.00 0.00 C ATOM 0 H PHE A 31 -8.835 -2.575 13.112 1.00 0.00 H new ATOM 0 HA PHE A 31 -10.192 -0.411 11.626 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -8.133 0.002 10.385 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.865 0.279 12.095 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -6.615 -1.424 13.444 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.938 -1.701 9.205 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.723 -2.991 13.403 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.046 -3.269 9.161 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.938 -3.921 11.262 1.00 0.00 H new ATOM 435 N HIS A 32 -10.442 -1.871 9.598 1.00 0.00 N ATOM 436 CA HIS A 32 -10.801 -2.809 8.541 1.00 0.00 C ATOM 437 C HIS A 32 -10.177 -2.395 7.212 1.00 0.00 C ATOM 438 O HIS A 32 -10.720 -1.573 6.473 1.00 0.00 O ATOM 439 CB HIS A 32 -12.321 -2.894 8.400 1.00 0.00 C ATOM 440 CG HIS A 32 -13.003 -1.561 8.450 1.00 0.00 C ATOM 441 ND1 HIS A 32 -12.536 -0.318 8.187 1.00 0.00 N flip ATOM 442 CD2 HIS A 32 -14.325 -1.405 8.808 1.00 0.00 C flip ATOM 443 CE1 HIS A 32 -13.575 0.557 8.387 1.00 0.00 C flip ATOM 444 NE2 HIS A 32 -14.643 -0.124 8.761 1.00 0.00 N flip ATOM 0 H HIS A 32 -10.804 -0.927 9.464 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.414 -3.791 8.814 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -12.563 -3.382 7.456 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -12.717 -3.525 9.196 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -11.589 -0.076 7.895 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -14.996 -2.205 9.084 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -13.527 1.628 8.259 1.00 0.00 H new ATOM 453 N PRO A 33 -9.008 -2.974 6.900 1.00 0.00 N ATOM 454 CA PRO A 33 -8.285 -2.680 5.659 1.00 0.00 C ATOM 455 C PRO A 33 -8.998 -3.229 4.428 1.00 0.00 C ATOM 456 O PRO A 33 -10.077 -3.813 4.532 1.00 0.00 O ATOM 457 CB PRO A 33 -6.940 -3.384 5.857 1.00 0.00 C ATOM 458 CG PRO A 33 -7.226 -4.481 6.822 1.00 0.00 C ATOM 459 CD PRO A 33 -8.303 -3.962 7.734 1.00 0.00 C ATOM 0 HA PRO A 33 -8.199 -1.608 5.482 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.555 -3.775 4.915 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.188 -2.699 6.248 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.555 -5.381 6.303 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.332 -4.747 7.386 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -8.970 -4.759 8.063 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -7.885 -3.506 8.631 1.00 0.00 H new ATOM 467 N VAL A 34 -8.389 -3.038 3.262 1.00 0.00 N ATOM 468 CA VAL A 34 -8.965 -3.516 2.011 1.00 0.00 C ATOM 469 C VAL A 34 -8.272 -4.790 1.539 1.00 0.00 C ATOM 470 O VAL A 34 -8.891 -5.647 0.907 1.00 0.00 O ATOM 471 CB VAL A 34 -8.865 -2.450 0.904 1.00 0.00 C ATOM 472 CG1 VAL A 34 -7.490 -2.480 0.256 1.00 0.00 C ATOM 473 CG2 VAL A 34 -9.958 -2.657 -0.134 1.00 0.00 C ATOM 0 H VAL A 34 -7.496 -2.555 3.158 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.016 -3.728 2.207 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.005 -1.468 1.355 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.439 -1.720 -0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.728 -2.279 1.009 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.316 -3.462 -0.183 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -9.873 -1.895 -0.909 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.851 -3.645 -0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.934 -2.580 0.345 1.00 0.00 H new ATOM 483 N CYS A 35 -6.986 -4.908 1.849 1.00 0.00 N ATOM 484 CA CYS A 35 -6.209 -6.077 1.456 1.00 0.00 C ATOM 485 C CYS A 35 -4.840 -6.071 2.128 1.00 0.00 C ATOM 486 O CYS A 35 -4.452 -5.088 2.759 1.00 0.00 O ATOM 487 CB CYS A 35 -6.044 -6.119 -0.064 1.00 0.00 C ATOM 488 SG CYS A 35 -5.901 -7.787 -0.746 1.00 0.00 S ATOM 0 H CYS A 35 -6.459 -4.208 2.372 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.749 -6.967 1.780 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -6.897 -5.622 -0.525 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.156 -5.549 -0.338 1.00 0.00 H new ATOM 0 HG CYS A 35 -6.190 -7.764 -2.013 1.00 0.00 H new ATOM 494 N GLN A 36 -4.113 -7.176 1.990 1.00 0.00 N ATOM 495 CA GLN A 36 -2.788 -7.297 2.586 1.00 0.00 C ATOM 496 C GLN A 36 -1.747 -7.652 1.530 1.00 0.00 C ATOM 497 O GLN A 36 -1.925 -8.594 0.759 1.00 0.00 O ATOM 498 CB GLN A 36 -2.797 -8.359 3.687 1.00 0.00 C ATOM 499 CG GLN A 36 -1.513 -8.404 4.500 1.00 0.00 C ATOM 500 CD GLN A 36 -1.591 -9.373 5.662 1.00 0.00 C ATOM 501 OE1 GLN A 36 -2.382 -10.317 5.646 1.00 0.00 O ATOM 502 NE2 GLN A 36 -0.770 -9.146 6.680 1.00 0.00 N ATOM 0 H GLN A 36 -4.419 -7.999 1.471 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.523 -6.334 3.022 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -3.635 -8.168 4.357 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.966 -9.337 3.236 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.686 -8.689 3.850 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.292 -7.406 4.879 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.130 -8.352 6.652 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.779 -9.766 7.490 1.00 0.00 H new ATOM 511 N VAL A 37 -0.658 -6.889 1.500 1.00 0.00 N ATOM 512 CA VAL A 37 0.413 -7.123 0.539 1.00 0.00 C ATOM 513 C VAL A 37 1.771 -7.166 1.230 1.00 0.00 C ATOM 514 O VAL A 37 1.893 -6.818 2.405 1.00 0.00 O ATOM 515 CB VAL A 37 0.437 -6.033 -0.549 1.00 0.00 C ATOM 516 CG1 VAL A 37 -0.860 -6.043 -1.344 1.00 0.00 C ATOM 517 CG2 VAL A 37 0.683 -4.666 0.071 1.00 0.00 C ATOM 0 H VAL A 37 -0.495 -6.104 2.130 1.00 0.00 H new ATOM 0 HA VAL A 37 0.216 -8.088 0.072 1.00 0.00 H new ATOM 0 HB VAL A 37 1.257 -6.247 -1.235 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.825 -5.266 -2.108 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.987 -7.015 -1.821 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.699 -5.855 -0.674 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.697 -3.908 -0.712 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.113 -4.440 0.781 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.642 -4.669 0.590 1.00 0.00 H new ATOM 527 N ILE A 38 2.790 -7.595 0.493 1.00 0.00 N ATOM 528 CA ILE A 38 4.141 -7.682 1.034 1.00 0.00 C ATOM 529 C ILE A 38 5.124 -6.876 0.192 1.00 0.00 C ATOM 530 O ILE A 38 5.032 -6.853 -1.035 1.00 0.00 O ATOM 531 CB ILE A 38 4.624 -9.143 1.110 1.00 0.00 C ATOM 532 CG1 ILE A 38 5.712 -9.288 2.176 1.00 0.00 C ATOM 533 CG2 ILE A 38 5.139 -9.601 -0.246 1.00 0.00 C ATOM 534 CD1 ILE A 38 5.172 -9.625 3.548 1.00 0.00 C ATOM 0 H ILE A 38 2.706 -7.888 -0.480 1.00 0.00 H new ATOM 0 HA ILE A 38 4.105 -7.267 2.041 1.00 0.00 H new ATOM 0 HB ILE A 38 3.781 -9.775 1.389 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.410 -10.066 1.868 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.278 -8.358 2.235 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.477 -10.635 -0.177 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.339 -9.529 -0.982 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.971 -8.967 -0.552 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.999 -9.713 4.253 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.497 -8.835 3.877 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.631 -10.570 3.504 1.00 0.00 H new ATOM 546 N ALA A 39 6.065 -6.217 0.860 1.00 0.00 N ATOM 547 CA ALA A 39 7.068 -5.413 0.173 1.00 0.00 C ATOM 548 C ALA A 39 7.957 -6.282 -0.710 1.00 0.00 C ATOM 549 O ALA A 39 8.465 -7.313 -0.272 1.00 0.00 O ATOM 550 CB ALA A 39 7.911 -4.646 1.181 1.00 0.00 C ATOM 0 H ALA A 39 6.154 -6.224 1.876 1.00 0.00 H new ATOM 0 HA ALA A 39 6.549 -4.700 -0.468 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.656 -4.050 0.654 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.269 -3.989 1.767 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.413 -5.349 1.845 1.00 0.00 H new ATOM 556 N MET A 40 8.140 -5.858 -1.957 1.00 0.00 N ATOM 557 CA MET A 40 8.969 -6.598 -2.901 1.00 0.00 C ATOM 558 C MET A 40 10.423 -6.144 -2.820 1.00 0.00 C ATOM 559 O MET A 40 11.340 -6.913 -3.110 1.00 0.00 O ATOM 560 CB MET A 40 8.443 -6.414 -4.326 1.00 0.00 C ATOM 561 CG MET A 40 7.174 -7.199 -4.613 1.00 0.00 C ATOM 562 SD MET A 40 6.932 -7.512 -6.372 1.00 0.00 S ATOM 563 CE MET A 40 6.933 -5.841 -7.016 1.00 0.00 C ATOM 0 H MET A 40 7.726 -5.007 -2.336 1.00 0.00 H new ATOM 0 HA MET A 40 8.922 -7.655 -2.637 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.252 -5.355 -4.500 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.216 -6.719 -5.032 1.00 0.00 H new ATOM 0 HG2 MET A 40 7.212 -8.150 -4.081 1.00 0.00 H new ATOM 0 HG3 MET A 40 6.316 -6.650 -4.225 1.00 0.00 H new ATOM 0 HE1 MET A 40 5.922 -5.566 -7.316 1.00 0.00 H new ATOM 0 HE2 MET A 40 7.282 -5.154 -6.245 1.00 0.00 H new ATOM 0 HE3 MET A 40 7.595 -5.784 -7.880 1.00 0.00 H new ATOM 573 N TYR A 41 10.626 -4.892 -2.425 1.00 0.00 N ATOM 574 CA TYR A 41 11.969 -4.336 -2.309 1.00 0.00 C ATOM 575 C TYR A 41 12.041 -3.319 -1.174 1.00 0.00 C ATOM 576 O TYR A 41 11.129 -2.513 -0.989 1.00 0.00 O ATOM 577 CB TYR A 41 12.387 -3.678 -3.625 1.00 0.00 C ATOM 578 CG TYR A 41 11.754 -4.309 -4.845 1.00 0.00 C ATOM 579 CD1 TYR A 41 12.329 -5.415 -5.458 1.00 0.00 C ATOM 580 CD2 TYR A 41 10.579 -3.799 -5.384 1.00 0.00 C ATOM 581 CE1 TYR A 41 11.755 -5.993 -6.573 1.00 0.00 C ATOM 582 CE2 TYR A 41 9.996 -4.372 -6.498 1.00 0.00 C ATOM 583 CZ TYR A 41 10.588 -5.468 -7.089 1.00 0.00 C ATOM 584 OH TYR A 41 10.012 -6.043 -8.199 1.00 0.00 O ATOM 0 H TYR A 41 9.878 -4.243 -2.180 1.00 0.00 H new ATOM 0 HA TYR A 41 12.655 -5.153 -2.085 1.00 0.00 H new ATOM 0 HB2 TYR A 41 12.121 -2.621 -3.594 1.00 0.00 H new ATOM 0 HB3 TYR A 41 13.472 -3.731 -3.720 1.00 0.00 H new ATOM 0 HD1 TYR A 41 13.241 -5.830 -5.055 1.00 0.00 H new ATOM 0 HD2 TYR A 41 10.113 -2.940 -4.924 1.00 0.00 H new ATOM 0 HE1 TYR A 41 12.217 -6.851 -7.039 1.00 0.00 H new ATOM 0 HE2 TYR A 41 9.082 -3.964 -6.903 1.00 0.00 H new ATOM 0 HH TYR A 41 10.218 -7.001 -8.215 1.00 0.00 H new ATOM 594 N ASP A 42 13.132 -3.364 -0.417 1.00 0.00 N ATOM 595 CA ASP A 42 13.326 -2.446 0.699 1.00 0.00 C ATOM 596 C ASP A 42 13.048 -1.008 0.275 1.00 0.00 C ATOM 597 O ASP A 42 13.871 -0.375 -0.387 1.00 0.00 O ATOM 598 CB ASP A 42 14.750 -2.565 1.243 1.00 0.00 C ATOM 599 CG ASP A 42 15.771 -2.797 0.146 1.00 0.00 C ATOM 600 OD1 ASP A 42 15.733 -2.064 -0.865 1.00 0.00 O ATOM 601 OD2 ASP A 42 16.609 -3.709 0.299 1.00 0.00 O ATOM 0 H ASP A 42 13.895 -4.026 -0.556 1.00 0.00 H new ATOM 0 HA ASP A 42 12.621 -2.716 1.486 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.005 -1.655 1.787 1.00 0.00 H new ATOM 0 HB3 ASP A 42 14.795 -3.387 1.958 1.00 0.00 H new ATOM 606 N TYR A 43 11.883 -0.497 0.659 1.00 0.00 N ATOM 607 CA TYR A 43 11.495 0.865 0.316 1.00 0.00 C ATOM 608 C TYR A 43 11.916 1.844 1.408 1.00 0.00 C ATOM 609 O TYR A 43 11.630 1.636 2.587 1.00 0.00 O ATOM 610 CB TYR A 43 9.983 0.948 0.096 1.00 0.00 C ATOM 611 CG TYR A 43 9.543 2.205 -0.618 1.00 0.00 C ATOM 612 CD1 TYR A 43 9.745 3.457 -0.050 1.00 0.00 C ATOM 613 CD2 TYR A 43 8.923 2.142 -1.860 1.00 0.00 C ATOM 614 CE1 TYR A 43 9.344 4.609 -0.699 1.00 0.00 C ATOM 615 CE2 TYR A 43 8.519 3.288 -2.516 1.00 0.00 C ATOM 616 CZ TYR A 43 8.732 4.519 -1.932 1.00 0.00 C ATOM 617 OH TYR A 43 8.330 5.664 -2.582 1.00 0.00 O ATOM 0 H TYR A 43 11.191 -1.007 1.208 1.00 0.00 H new ATOM 0 HA TYR A 43 12.005 1.138 -0.608 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.660 0.081 -0.480 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.480 0.894 1.062 1.00 0.00 H new ATOM 0 HD1 TYR A 43 10.224 3.531 0.915 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.754 1.180 -2.320 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.509 5.574 -0.244 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.039 3.221 -3.481 1.00 0.00 H new ATOM 0 HH TYR A 43 7.353 5.675 -2.652 1.00 0.00 H new ATOM 627 N ALA A 44 12.597 2.912 1.006 1.00 0.00 N ATOM 628 CA ALA A 44 13.056 3.924 1.949 1.00 0.00 C ATOM 629 C ALA A 44 12.365 5.260 1.699 1.00 0.00 C ATOM 630 O ALA A 44 12.647 5.941 0.713 1.00 0.00 O ATOM 631 CB ALA A 44 14.566 4.084 1.859 1.00 0.00 C ATOM 0 H ALA A 44 12.843 3.099 0.034 1.00 0.00 H new ATOM 0 HA ALA A 44 12.797 3.592 2.954 1.00 0.00 H new ATOM 0 HB1 ALA A 44 14.894 4.843 2.569 1.00 0.00 H new ATOM 0 HB2 ALA A 44 15.047 3.135 2.094 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.840 4.389 0.849 1.00 0.00 H new ATOM 637 N ALA A 45 11.458 5.630 2.598 1.00 0.00 N ATOM 638 CA ALA A 45 10.728 6.885 2.474 1.00 0.00 C ATOM 639 C ALA A 45 11.683 8.073 2.423 1.00 0.00 C ATOM 640 O ALA A 45 12.384 8.360 3.392 1.00 0.00 O ATOM 641 CB ALA A 45 9.749 7.042 3.629 1.00 0.00 C ATOM 0 H ALA A 45 11.212 5.078 3.420 1.00 0.00 H new ATOM 0 HA ALA A 45 10.169 6.861 1.538 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.210 7.984 3.524 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.039 6.215 3.619 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.296 7.040 4.572 1.00 0.00 H new ATOM 647 N ASN A 46 11.706 8.759 1.285 1.00 0.00 N ATOM 648 CA ASN A 46 12.576 9.916 1.107 1.00 0.00 C ATOM 649 C ASN A 46 12.280 10.986 2.153 1.00 0.00 C ATOM 650 O ASN A 46 13.139 11.805 2.478 1.00 0.00 O ATOM 651 CB ASN A 46 12.404 10.498 -0.297 1.00 0.00 C ATOM 652 CG ASN A 46 13.019 9.618 -1.368 1.00 0.00 C ATOM 653 OD1 ASN A 46 14.239 9.567 -1.521 1.00 0.00 O ATOM 654 ND2 ASN A 46 12.173 8.918 -2.116 1.00 0.00 N ATOM 0 H ASN A 46 11.132 8.534 0.472 1.00 0.00 H new ATOM 0 HA ASN A 46 13.607 9.586 1.233 1.00 0.00 H new ATOM 0 HB2 ASN A 46 11.342 10.630 -0.505 1.00 0.00 H new ATOM 0 HB3 ASN A 46 12.862 11.486 -0.336 1.00 0.00 H new ATOM 0 HD21 ASN A 46 12.528 8.308 -2.852 1.00 0.00 H new ATOM 0 HD22 ASN A 46 11.169 8.991 -1.954 1.00 0.00 H new ATOM 661 N ASN A 47 11.059 10.971 2.678 1.00 0.00 N ATOM 662 CA ASN A 47 10.650 11.940 3.688 1.00 0.00 C ATOM 663 C ASN A 47 9.588 11.348 4.610 1.00 0.00 C ATOM 664 O ASN A 47 9.230 10.177 4.489 1.00 0.00 O ATOM 665 CB ASN A 47 10.112 13.207 3.021 1.00 0.00 C ATOM 666 CG ASN A 47 9.453 12.922 1.685 1.00 0.00 C ATOM 667 OD1 ASN A 47 8.600 11.905 1.652 1.00 0.00 O flip ATOM 668 ND2 ASN A 47 9.707 13.609 0.696 1.00 0.00 N flip ATOM 0 H ASN A 47 10.336 10.299 2.421 1.00 0.00 H new ATOM 0 HA ASN A 47 11.525 12.196 4.286 1.00 0.00 H new ATOM 0 HB2 ASN A 47 9.391 13.685 3.684 1.00 0.00 H new ATOM 0 HB3 ASN A 47 10.929 13.913 2.876 1.00 0.00 H new ATOM 0 HD21 ASN A 47 10.370 14.381 0.768 1.00 0.00 H new ATOM 0 HD22 ASN A 47 9.255 13.406 -0.196 1.00 0.00 H new ATOM 675 N GLU A 48 9.089 12.167 5.532 1.00 0.00 N ATOM 676 CA GLU A 48 8.069 11.723 6.474 1.00 0.00 C ATOM 677 C GLU A 48 6.733 11.509 5.769 1.00 0.00 C ATOM 678 O GLU A 48 5.799 10.947 6.342 1.00 0.00 O ATOM 679 CB GLU A 48 7.905 12.746 7.601 1.00 0.00 C ATOM 680 CG GLU A 48 7.620 14.155 7.107 1.00 0.00 C ATOM 681 CD GLU A 48 8.885 14.929 6.791 1.00 0.00 C ATOM 682 OE1 GLU A 48 9.804 14.935 7.636 1.00 0.00 O ATOM 683 OE2 GLU A 48 8.955 15.529 5.698 1.00 0.00 O ATOM 0 H GLU A 48 9.375 13.140 5.646 1.00 0.00 H new ATOM 0 HA GLU A 48 8.392 10.773 6.899 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.092 12.428 8.254 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.813 12.758 8.204 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.997 14.104 6.214 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.049 14.693 7.864 1.00 0.00 H new ATOM 690 N ASP A 49 6.650 11.960 4.522 1.00 0.00 N ATOM 691 CA ASP A 49 5.429 11.818 3.738 1.00 0.00 C ATOM 692 C ASP A 49 5.267 10.385 3.240 1.00 0.00 C ATOM 693 O ASP A 49 4.149 9.891 3.097 1.00 0.00 O ATOM 694 CB ASP A 49 5.444 12.783 2.552 1.00 0.00 C ATOM 695 CG ASP A 49 4.994 14.179 2.936 1.00 0.00 C ATOM 696 OD1 ASP A 49 5.631 14.785 3.823 1.00 0.00 O ATOM 697 OD2 ASP A 49 4.005 14.666 2.349 1.00 0.00 O ATOM 0 H ASP A 49 7.414 12.427 4.033 1.00 0.00 H new ATOM 0 HA ASP A 49 4.583 12.059 4.382 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.451 12.830 2.138 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.794 12.398 1.766 1.00 0.00 H new ATOM 702 N GLU A 50 6.390 9.724 2.979 1.00 0.00 N ATOM 703 CA GLU A 50 6.371 8.348 2.496 1.00 0.00 C ATOM 704 C GLU A 50 6.557 7.364 3.647 1.00 0.00 C ATOM 705 O GLU A 50 6.808 7.763 4.785 1.00 0.00 O ATOM 706 CB GLU A 50 7.467 8.136 1.449 1.00 0.00 C ATOM 707 CG GLU A 50 7.166 8.792 0.112 1.00 0.00 C ATOM 708 CD GLU A 50 8.410 9.000 -0.729 1.00 0.00 C ATOM 709 OE1 GLU A 50 9.319 8.146 -0.665 1.00 0.00 O ATOM 710 OE2 GLU A 50 8.476 10.017 -1.451 1.00 0.00 O ATOM 0 H GLU A 50 7.324 10.118 3.094 1.00 0.00 H new ATOM 0 HA GLU A 50 5.399 8.165 2.038 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.407 8.531 1.834 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.609 7.066 1.296 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.458 8.174 -0.440 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.683 9.754 0.284 1.00 0.00 H new ATOM 717 N LEU A 51 6.430 6.077 3.344 1.00 0.00 N ATOM 718 CA LEU A 51 6.583 5.035 4.354 1.00 0.00 C ATOM 719 C LEU A 51 7.901 4.290 4.172 1.00 0.00 C ATOM 720 O LEU A 51 8.191 3.774 3.092 1.00 0.00 O ATOM 721 CB LEU A 51 5.414 4.051 4.280 1.00 0.00 C ATOM 722 CG LEU A 51 5.001 3.399 5.600 1.00 0.00 C ATOM 723 CD1 LEU A 51 3.917 2.359 5.366 1.00 0.00 C ATOM 724 CD2 LEU A 51 6.207 2.771 6.285 1.00 0.00 C ATOM 0 H LEU A 51 6.222 5.730 2.408 1.00 0.00 H new ATOM 0 HA LEU A 51 6.588 5.511 5.334 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.550 4.574 3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.673 3.262 3.574 1.00 0.00 H new ATOM 0 HG LEU A 51 4.598 4.172 6.254 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.636 1.906 6.317 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.045 2.837 4.920 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.292 1.588 4.693 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.894 2.312 7.223 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.640 2.010 5.635 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.952 3.541 6.488 1.00 0.00 H new ATOM 736 N SER A 52 8.696 4.236 5.236 1.00 0.00 N ATOM 737 CA SER A 52 9.985 3.555 5.193 1.00 0.00 C ATOM 738 C SER A 52 9.862 2.125 5.710 1.00 0.00 C ATOM 739 O SER A 52 9.606 1.900 6.893 1.00 0.00 O ATOM 740 CB SER A 52 11.018 4.321 6.021 1.00 0.00 C ATOM 741 OG SER A 52 10.525 4.601 7.320 1.00 0.00 O ATOM 0 H SER A 52 8.470 4.655 6.138 1.00 0.00 H new ATOM 0 HA SER A 52 10.315 3.520 4.155 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.935 3.737 6.095 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.274 5.253 5.517 1.00 0.00 H new ATOM 0 HG SER A 52 10.095 3.800 7.686 1.00 0.00 H new ATOM 747 N PHE A 53 10.045 1.161 4.814 1.00 0.00 N ATOM 748 CA PHE A 53 9.953 -0.248 5.178 1.00 0.00 C ATOM 749 C PHE A 53 10.982 -1.076 4.414 1.00 0.00 C ATOM 750 O PHE A 53 11.626 -0.583 3.488 1.00 0.00 O ATOM 751 CB PHE A 53 8.545 -0.779 4.897 1.00 0.00 C ATOM 752 CG PHE A 53 8.089 -0.548 3.485 1.00 0.00 C ATOM 753 CD1 PHE A 53 7.491 0.648 3.123 1.00 0.00 C ATOM 754 CD2 PHE A 53 8.256 -1.528 2.520 1.00 0.00 C ATOM 755 CE1 PHE A 53 7.070 0.864 1.824 1.00 0.00 C ATOM 756 CE2 PHE A 53 7.837 -1.318 1.220 1.00 0.00 C ATOM 757 CZ PHE A 53 7.243 -0.121 0.871 1.00 0.00 C ATOM 0 H PHE A 53 10.258 1.330 3.831 1.00 0.00 H new ATOM 0 HA PHE A 53 10.161 -0.336 6.244 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.519 -1.848 5.108 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.842 -0.302 5.580 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.352 1.421 3.864 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.719 -2.467 2.787 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.606 1.802 1.555 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.974 -2.090 0.477 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.915 0.045 -0.144 1.00 0.00 H new ATOM 767 N SER A 54 11.132 -2.336 4.810 1.00 0.00 N ATOM 768 CA SER A 54 12.086 -3.231 4.166 1.00 0.00 C ATOM 769 C SER A 54 11.363 -4.329 3.392 1.00 0.00 C ATOM 770 O SER A 54 10.133 -4.396 3.386 1.00 0.00 O ATOM 771 CB SER A 54 13.016 -3.854 5.208 1.00 0.00 C ATOM 772 OG SER A 54 14.293 -4.124 4.655 1.00 0.00 O ATOM 0 H SER A 54 10.605 -2.760 5.574 1.00 0.00 H new ATOM 0 HA SER A 54 12.679 -2.646 3.464 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.119 -3.179 6.058 1.00 0.00 H new ATOM 0 HB3 SER A 54 12.577 -4.777 5.586 1.00 0.00 H new ATOM 0 HG SER A 54 14.870 -4.520 5.341 1.00 0.00 H new ATOM 778 N LYS A 55 12.136 -5.190 2.738 1.00 0.00 N ATOM 779 CA LYS A 55 11.572 -6.287 1.961 1.00 0.00 C ATOM 780 C LYS A 55 10.898 -7.309 2.871 1.00 0.00 C ATOM 781 O LYS A 55 11.515 -7.830 3.799 1.00 0.00 O ATOM 782 CB LYS A 55 12.665 -6.968 1.133 1.00 0.00 C ATOM 783 CG LYS A 55 12.138 -8.035 0.190 1.00 0.00 C ATOM 784 CD LYS A 55 13.232 -8.560 -0.725 1.00 0.00 C ATOM 785 CE LYS A 55 12.708 -9.644 -1.655 1.00 0.00 C ATOM 786 NZ LYS A 55 13.684 -9.970 -2.732 1.00 0.00 N ATOM 0 H LYS A 55 13.155 -5.149 2.731 1.00 0.00 H new ATOM 0 HA LYS A 55 10.820 -5.873 1.289 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.194 -6.212 0.553 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.393 -7.419 1.808 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.720 -8.859 0.768 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.327 -7.623 -0.410 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.640 -7.739 -1.315 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.050 -8.958 -0.125 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.490 -10.543 -1.078 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.770 -9.316 -2.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.290 -10.713 -3.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.873 -9.118 -3.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.571 -10.307 -2.306 1.00 0.00 H new ATOM 800 N GLY A 56 9.628 -7.592 2.597 1.00 0.00 N ATOM 801 CA GLY A 56 8.893 -8.552 3.400 1.00 0.00 C ATOM 802 C GLY A 56 8.267 -7.922 4.629 1.00 0.00 C ATOM 803 O GLY A 56 8.017 -8.602 5.623 1.00 0.00 O ATOM 0 H GLY A 56 9.095 -7.174 1.834 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.112 -9.008 2.791 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.565 -9.353 3.708 1.00 0.00 H new ATOM 807 N GLN A 57 8.015 -6.619 4.560 1.00 0.00 N ATOM 808 CA GLN A 57 7.417 -5.897 5.677 1.00 0.00 C ATOM 809 C GLN A 57 5.902 -6.071 5.689 1.00 0.00 C ATOM 810 O GLN A 57 5.286 -6.310 4.650 1.00 0.00 O ATOM 811 CB GLN A 57 7.772 -4.411 5.600 1.00 0.00 C ATOM 812 CG GLN A 57 7.711 -3.700 6.942 1.00 0.00 C ATOM 813 CD GLN A 57 8.888 -4.038 7.835 1.00 0.00 C ATOM 814 OE1 GLN A 57 9.697 -4.909 7.513 1.00 0.00 O ATOM 815 NE2 GLN A 57 8.991 -3.349 8.966 1.00 0.00 N ATOM 0 H GLN A 57 8.215 -6.042 3.743 1.00 0.00 H new ATOM 0 HA GLN A 57 7.819 -6.311 6.602 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.776 -4.307 5.188 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.090 -3.919 4.906 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.682 -2.623 6.777 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.785 -3.970 7.450 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.298 -2.636 9.194 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.763 -3.533 9.607 1.00 0.00 H new ATOM 824 N LEU A 58 5.307 -5.950 6.871 1.00 0.00 N ATOM 825 CA LEU A 58 3.863 -6.094 7.018 1.00 0.00 C ATOM 826 C LEU A 58 3.140 -4.833 6.555 1.00 0.00 C ATOM 827 O LEU A 58 3.103 -3.830 7.267 1.00 0.00 O ATOM 828 CB LEU A 58 3.507 -6.393 8.476 1.00 0.00 C ATOM 829 CG LEU A 58 2.116 -5.951 8.931 1.00 0.00 C ATOM 830 CD1 LEU A 58 1.050 -6.494 7.992 1.00 0.00 C ATOM 831 CD2 LEU A 58 1.853 -6.405 10.359 1.00 0.00 C ATOM 0 H LEU A 58 5.802 -5.753 7.741 1.00 0.00 H new ATOM 0 HA LEU A 58 3.540 -6.926 6.393 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.596 -7.467 8.638 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.247 -5.912 9.116 1.00 0.00 H new ATOM 0 HG LEU A 58 2.074 -4.862 8.904 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.066 -6.169 8.332 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.228 -6.119 6.984 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.091 -7.583 7.987 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.858 -6.082 10.666 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.914 -7.492 10.412 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.598 -5.967 11.023 1.00 0.00 H new ATOM 843 N ILE A 59 2.565 -4.894 5.359 1.00 0.00 N ATOM 844 CA ILE A 59 1.840 -3.759 4.802 1.00 0.00 C ATOM 845 C ILE A 59 0.390 -4.125 4.504 1.00 0.00 C ATOM 846 O ILE A 59 0.115 -4.983 3.666 1.00 0.00 O ATOM 847 CB ILE A 59 2.503 -3.245 3.510 1.00 0.00 C ATOM 848 CG1 ILE A 59 3.884 -2.663 3.818 1.00 0.00 C ATOM 849 CG2 ILE A 59 1.620 -2.204 2.839 1.00 0.00 C ATOM 850 CD1 ILE A 59 4.774 -2.542 2.600 1.00 0.00 C ATOM 0 H ILE A 59 2.587 -5.717 4.757 1.00 0.00 H new ATOM 0 HA ILE A 59 1.867 -2.970 5.553 1.00 0.00 H new ATOM 0 HB ILE A 59 2.627 -4.083 2.824 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.762 -1.678 4.268 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.378 -3.293 4.558 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.102 -1.851 1.928 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.657 -2.650 2.590 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.467 -1.365 3.517 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.736 -2.122 2.893 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.926 -3.528 2.161 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.301 -1.888 1.867 1.00 0.00 H new ATOM 862 N ASN A 60 -0.535 -3.467 5.196 1.00 0.00 N ATOM 863 CA ASN A 60 -1.958 -3.722 5.005 1.00 0.00 C ATOM 864 C ASN A 60 -2.617 -2.583 4.233 1.00 0.00 C ATOM 865 O ASN A 60 -2.911 -1.527 4.794 1.00 0.00 O ATOM 866 CB ASN A 60 -2.651 -3.905 6.357 1.00 0.00 C ATOM 867 CG ASN A 60 -3.835 -4.849 6.277 1.00 0.00 C ATOM 868 OD1 ASN A 60 -4.593 -4.757 5.190 1.00 0.00 O flip ATOM 869 ND2 ASN A 60 -4.065 -5.651 7.182 1.00 0.00 N flip ATOM 0 H ASN A 60 -0.324 -2.753 5.894 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.062 -4.638 4.424 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.932 -4.288 7.081 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.987 -2.935 6.724 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.455 -5.687 7.999 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.865 -6.280 7.115 1.00 0.00 H new ATOM 876 N VAL A 61 -2.845 -2.804 2.942 1.00 0.00 N ATOM 877 CA VAL A 61 -3.470 -1.797 2.093 1.00 0.00 C ATOM 878 C VAL A 61 -4.834 -1.388 2.638 1.00 0.00 C ATOM 879 O VAL A 61 -5.714 -2.226 2.828 1.00 0.00 O ATOM 880 CB VAL A 61 -3.638 -2.307 0.649 1.00 0.00 C ATOM 881 CG1 VAL A 61 -4.194 -1.208 -0.244 1.00 0.00 C ATOM 882 CG2 VAL A 61 -2.314 -2.824 0.109 1.00 0.00 C ATOM 0 H VAL A 61 -2.606 -3.671 2.462 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.809 -0.930 2.090 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.349 -3.133 0.655 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.306 -1.587 -1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.166 -0.889 0.133 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.509 -0.360 -0.246 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.452 -3.180 -0.912 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.579 -2.019 0.117 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.961 -3.644 0.735 1.00 0.00 H new ATOM 892 N MET A 62 -5.001 -0.093 2.888 1.00 0.00 N ATOM 893 CA MET A 62 -6.259 0.428 3.410 1.00 0.00 C ATOM 894 C MET A 62 -7.008 1.213 2.338 1.00 0.00 C ATOM 895 O MET A 62 -8.234 1.157 2.258 1.00 0.00 O ATOM 896 CB MET A 62 -6.001 1.319 4.626 1.00 0.00 C ATOM 897 CG MET A 62 -5.205 0.633 5.724 1.00 0.00 C ATOM 898 SD MET A 62 -6.258 -0.182 6.940 1.00 0.00 S ATOM 899 CE MET A 62 -5.949 0.827 8.387 1.00 0.00 C ATOM 0 H MET A 62 -4.281 0.614 2.738 1.00 0.00 H new ATOM 0 HA MET A 62 -6.876 -0.417 3.714 1.00 0.00 H new ATOM 0 HB2 MET A 62 -5.466 2.212 4.304 1.00 0.00 H new ATOM 0 HB3 MET A 62 -6.957 1.649 5.033 1.00 0.00 H new ATOM 0 HG2 MET A 62 -4.536 -0.103 5.277 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.578 1.369 6.227 1.00 0.00 H new ATOM 0 HE1 MET A 62 -6.226 0.272 9.283 1.00 0.00 H new ATOM 0 HE2 MET A 62 -4.891 1.084 8.432 1.00 0.00 H new ATOM 0 HE3 MET A 62 -6.542 1.740 8.328 1.00 0.00 H new ATOM 909 N ASN A 63 -6.262 1.946 1.517 1.00 0.00 N ATOM 910 CA ASN A 63 -6.857 2.744 0.451 1.00 0.00 C ATOM 911 C ASN A 63 -6.043 2.628 -0.834 1.00 0.00 C ATOM 912 O ASN A 63 -4.949 3.183 -0.941 1.00 0.00 O ATOM 913 CB ASN A 63 -6.954 4.210 0.877 1.00 0.00 C ATOM 914 CG ASN A 63 -7.997 4.974 0.085 1.00 0.00 C ATOM 915 OD1 ASN A 63 -9.225 4.995 0.591 1.00 0.00 O flip ATOM 916 ND2 ASN A 63 -7.703 5.539 -0.968 1.00 0.00 N flip ATOM 0 H ASN A 63 -5.245 2.004 1.570 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.860 2.361 0.260 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.198 4.262 1.938 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.983 4.688 0.749 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.746 5.497 -1.320 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -8.416 6.050 -1.489 1.00 0.00 H new ATOM 923 N LYS A 64 -6.584 1.903 -1.807 1.00 0.00 N ATOM 924 CA LYS A 64 -5.911 1.715 -3.087 1.00 0.00 C ATOM 925 C LYS A 64 -6.629 2.476 -4.197 1.00 0.00 C ATOM 926 O LYS A 64 -6.653 2.038 -5.347 1.00 0.00 O ATOM 927 CB LYS A 64 -5.842 0.227 -3.436 1.00 0.00 C ATOM 928 CG LYS A 64 -7.204 -0.413 -3.642 1.00 0.00 C ATOM 929 CD LYS A 64 -7.091 -1.743 -4.369 1.00 0.00 C ATOM 930 CE LYS A 64 -6.798 -1.546 -5.848 1.00 0.00 C ATOM 931 NZ LYS A 64 -8.045 -1.362 -6.641 1.00 0.00 N ATOM 0 H LYS A 64 -7.488 1.435 -1.734 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.898 2.109 -2.998 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.250 0.102 -4.343 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.319 -0.301 -2.639 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.685 -0.565 -2.676 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.842 0.262 -4.213 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.299 -2.340 -3.916 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.019 -2.303 -4.252 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.154 -0.677 -5.978 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.250 -2.408 -6.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.803 -1.231 -7.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.649 -2.202 -6.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.555 -0.524 -6.296 1.00 0.00 H new ATOM 945 N ASP A 65 -7.212 3.617 -3.845 1.00 0.00 N ATOM 946 CA ASP A 65 -7.928 4.440 -4.812 1.00 0.00 C ATOM 947 C ASP A 65 -7.073 4.693 -6.049 1.00 0.00 C ATOM 948 O ASP A 65 -7.585 4.763 -7.167 1.00 0.00 O ATOM 949 CB ASP A 65 -8.337 5.770 -4.178 1.00 0.00 C ATOM 950 CG ASP A 65 -9.710 5.709 -3.537 1.00 0.00 C ATOM 951 OD1 ASP A 65 -10.713 5.820 -4.272 1.00 0.00 O ATOM 952 OD2 ASP A 65 -9.780 5.548 -2.301 1.00 0.00 O ATOM 0 H ASP A 65 -7.203 3.993 -2.897 1.00 0.00 H new ATOM 0 HA ASP A 65 -8.825 3.901 -5.117 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.600 6.052 -3.426 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.329 6.550 -4.940 1.00 0.00 H new ATOM 957 N ASP A 66 -5.768 4.831 -5.842 1.00 0.00 N ATOM 958 CA ASP A 66 -4.841 5.077 -6.940 1.00 0.00 C ATOM 959 C ASP A 66 -4.244 3.769 -7.451 1.00 0.00 C ATOM 960 O ASP A 66 -3.594 3.026 -6.715 1.00 0.00 O ATOM 961 CB ASP A 66 -3.724 6.021 -6.492 1.00 0.00 C ATOM 962 CG ASP A 66 -3.201 6.879 -7.626 1.00 0.00 C ATOM 963 OD1 ASP A 66 -3.961 7.119 -8.588 1.00 0.00 O ATOM 964 OD2 ASP A 66 -2.031 7.310 -7.554 1.00 0.00 O ATOM 0 H ASP A 66 -5.328 4.777 -4.923 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.396 5.544 -7.753 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.095 6.665 -5.694 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.904 5.437 -6.075 1.00 0.00 H new ATOM 969 N PRO A 67 -4.470 3.479 -8.741 1.00 0.00 N ATOM 970 CA PRO A 67 -3.963 2.260 -9.378 1.00 0.00 C ATOM 971 C PRO A 67 -2.448 2.281 -9.547 1.00 0.00 C ATOM 972 O PRO A 67 -1.863 1.351 -10.102 1.00 0.00 O ATOM 973 CB PRO A 67 -4.653 2.262 -10.744 1.00 0.00 C ATOM 974 CG PRO A 67 -4.955 3.695 -11.015 1.00 0.00 C ATOM 975 CD PRO A 67 -5.236 4.319 -9.676 1.00 0.00 C ATOM 0 HA PRO A 67 -4.170 1.372 -8.781 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.007 1.841 -11.514 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.563 1.662 -10.729 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -4.114 4.185 -11.505 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.813 3.794 -11.680 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -4.911 5.359 -9.641 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.301 4.310 -9.444 1.00 0.00 H new ATOM 983 N ASP A 68 -1.818 3.346 -9.063 1.00 0.00 N ATOM 984 CA ASP A 68 -0.370 3.487 -9.159 1.00 0.00 C ATOM 985 C ASP A 68 0.267 3.513 -7.773 1.00 0.00 C ATOM 986 O ASP A 68 1.345 2.957 -7.564 1.00 0.00 O ATOM 987 CB ASP A 68 -0.009 4.761 -9.924 1.00 0.00 C ATOM 988 CG ASP A 68 -0.912 4.994 -11.119 1.00 0.00 C ATOM 989 OD1 ASP A 68 -1.031 4.078 -11.960 1.00 0.00 O ATOM 990 OD2 ASP A 68 -1.499 6.092 -11.215 1.00 0.00 O ATOM 0 H ASP A 68 -2.288 4.124 -8.600 1.00 0.00 H new ATOM 0 HA ASP A 68 0.018 2.625 -9.701 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.074 5.616 -9.251 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.026 4.698 -10.261 1.00 0.00 H new ATOM 995 N TRP A 69 -0.407 4.163 -6.831 1.00 0.00 N ATOM 996 CA TRP A 69 0.093 4.263 -5.465 1.00 0.00 C ATOM 997 C TRP A 69 -0.940 3.749 -4.468 1.00 0.00 C ATOM 998 O TRP A 69 -2.135 4.002 -4.614 1.00 0.00 O ATOM 999 CB TRP A 69 0.459 5.712 -5.138 1.00 0.00 C ATOM 1000 CG TRP A 69 1.864 6.070 -5.516 1.00 0.00 C ATOM 1001 CD1 TRP A 69 2.360 6.222 -6.779 1.00 0.00 C ATOM 1002 CD2 TRP A 69 2.955 6.318 -4.622 1.00 0.00 C ATOM 1003 NE1 TRP A 69 3.694 6.549 -6.725 1.00 0.00 N ATOM 1004 CE2 TRP A 69 4.082 6.616 -5.413 1.00 0.00 C ATOM 1005 CE3 TRP A 69 3.088 6.320 -3.231 1.00 0.00 C ATOM 1006 CZ2 TRP A 69 5.324 6.910 -4.857 1.00 0.00 C ATOM 1007 CZ3 TRP A 69 4.322 6.613 -2.681 1.00 0.00 C ATOM 1008 CH2 TRP A 69 5.426 6.905 -3.492 1.00 0.00 C ATOM 0 H TRP A 69 -1.301 4.628 -6.988 1.00 0.00 H new ATOM 0 HA TRP A 69 0.986 3.644 -5.386 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -0.230 6.379 -5.656 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.324 5.881 -4.070 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.788 6.103 -7.687 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.297 6.715 -7.531 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.242 6.097 -2.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.177 7.134 -5.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.437 6.617 -1.607 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.376 7.131 -3.031 1.00 0.00 H new ATOM 1019 N TRP A 70 -0.471 3.029 -3.455 1.00 0.00 N ATOM 1020 CA TRP A 70 -1.355 2.480 -2.434 1.00 0.00 C ATOM 1021 C TRP A 70 -0.928 2.935 -1.043 1.00 0.00 C ATOM 1022 O TRP A 70 0.176 3.446 -0.860 1.00 0.00 O ATOM 1023 CB TRP A 70 -1.364 0.952 -2.505 1.00 0.00 C ATOM 1024 CG TRP A 70 -2.010 0.418 -3.747 1.00 0.00 C ATOM 1025 CD1 TRP A 70 -2.875 1.081 -4.571 1.00 0.00 C ATOM 1026 CD2 TRP A 70 -1.844 -0.890 -4.305 1.00 0.00 C ATOM 1027 NE1 TRP A 70 -3.256 0.264 -5.607 1.00 0.00 N ATOM 1028 CE2 TRP A 70 -2.637 -0.950 -5.468 1.00 0.00 C ATOM 1029 CE3 TRP A 70 -1.101 -2.014 -3.938 1.00 0.00 C ATOM 1030 CZ2 TRP A 70 -2.708 -2.092 -6.262 1.00 0.00 C ATOM 1031 CZ3 TRP A 70 -1.172 -3.147 -4.727 1.00 0.00 C ATOM 1032 CH2 TRP A 70 -1.970 -3.178 -5.878 1.00 0.00 C ATOM 0 H TRP A 70 0.516 2.812 -3.319 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.362 2.851 -2.623 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -0.338 0.587 -2.452 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.888 0.558 -1.634 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.210 2.098 -4.429 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -3.896 0.520 -6.359 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.482 -1.998 -3.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -3.324 -2.119 -7.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.603 -4.023 -4.452 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.003 -4.078 -6.474 1.00 0.00 H new ATOM 1043 N GLN A 71 -1.809 2.744 -0.066 1.00 0.00 N ATOM 1044 CA GLN A 71 -1.522 3.136 1.309 1.00 0.00 C ATOM 1045 C GLN A 71 -1.682 1.952 2.257 1.00 0.00 C ATOM 1046 O GLN A 71 -2.710 1.275 2.253 1.00 0.00 O ATOM 1047 CB GLN A 71 -2.444 4.278 1.739 1.00 0.00 C ATOM 1048 CG GLN A 71 -2.241 4.713 3.182 1.00 0.00 C ATOM 1049 CD GLN A 71 -2.915 6.035 3.493 1.00 0.00 C ATOM 1050 OE1 GLN A 71 -3.464 6.689 2.606 1.00 0.00 O ATOM 1051 NE2 GLN A 71 -2.876 6.435 4.758 1.00 0.00 N ATOM 0 H GLN A 71 -2.727 2.320 -0.201 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.488 3.477 1.355 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.279 5.133 1.084 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.480 3.968 1.604 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.633 3.944 3.848 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.173 4.797 3.385 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.410 5.861 5.460 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.312 7.317 5.028 1.00 0.00 H new ATOM 1060 N GLY A 72 -0.658 1.707 3.069 1.00 0.00 N ATOM 1061 CA GLY A 72 -0.706 0.605 4.011 1.00 0.00 C ATOM 1062 C GLY A 72 -0.217 0.999 5.391 1.00 0.00 C ATOM 1063 O GLY A 72 0.125 2.157 5.627 1.00 0.00 O ATOM 0 H GLY A 72 0.204 2.252 3.091 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.730 0.237 4.083 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.098 -0.217 3.635 1.00 0.00 H new ATOM 1067 N GLU A 73 -0.184 0.034 6.304 1.00 0.00 N ATOM 1068 CA GLU A 73 0.264 0.288 7.668 1.00 0.00 C ATOM 1069 C GLU A 73 1.351 -0.703 8.077 1.00 0.00 C ATOM 1070 O GLU A 73 1.432 -1.808 7.540 1.00 0.00 O ATOM 1071 CB GLU A 73 -0.914 0.201 8.641 1.00 0.00 C ATOM 1072 CG GLU A 73 -1.511 -1.192 8.749 1.00 0.00 C ATOM 1073 CD GLU A 73 -2.638 -1.266 9.762 1.00 0.00 C ATOM 1074 OE1 GLU A 73 -3.728 -0.728 9.477 1.00 0.00 O ATOM 1075 OE2 GLU A 73 -2.428 -1.863 10.839 1.00 0.00 O ATOM 0 H GLU A 73 -0.462 -0.931 6.124 1.00 0.00 H new ATOM 0 HA GLU A 73 0.681 1.294 7.704 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.584 0.523 9.628 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.690 0.896 8.322 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.884 -1.500 7.772 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.729 -1.898 9.029 1.00 0.00 H new ATOM 1082 N ILE A 74 2.183 -0.299 9.030 1.00 0.00 N ATOM 1083 CA ILE A 74 3.264 -1.150 9.512 1.00 0.00 C ATOM 1084 C ILE A 74 3.607 -0.834 10.964 1.00 0.00 C ATOM 1085 O ILE A 74 4.240 0.180 11.256 1.00 0.00 O ATOM 1086 CB ILE A 74 4.531 -0.993 8.650 1.00 0.00 C ATOM 1087 CG1 ILE A 74 4.155 -0.834 7.176 1.00 0.00 C ATOM 1088 CG2 ILE A 74 5.452 -2.189 8.841 1.00 0.00 C ATOM 1089 CD1 ILE A 74 5.322 -0.454 6.292 1.00 0.00 C ATOM 0 H ILE A 74 2.130 0.613 9.484 1.00 0.00 H new ATOM 0 HA ILE A 74 2.912 -2.179 9.441 1.00 0.00 H new ATOM 0 HB ILE A 74 5.061 -0.096 8.969 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.726 -1.769 6.816 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.380 -0.073 7.087 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.343 -2.064 8.226 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.742 -2.261 9.889 1.00 0.00 H new ATOM 0 HG23 ILE A 74 4.932 -3.100 8.545 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.982 -0.359 5.261 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.737 0.497 6.626 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.089 -1.226 6.351 1.00 0.00 H new ATOM 1101 N ASN A 75 3.187 -1.711 11.870 1.00 0.00 N ATOM 1102 CA ASN A 75 3.452 -1.526 13.292 1.00 0.00 C ATOM 1103 C ASN A 75 2.883 -0.199 13.783 1.00 0.00 C ATOM 1104 O ASN A 75 3.521 0.514 14.557 1.00 0.00 O ATOM 1105 CB ASN A 75 4.956 -1.581 13.564 1.00 0.00 C ATOM 1106 CG ASN A 75 5.447 -2.993 13.818 1.00 0.00 C ATOM 1107 OD1 ASN A 75 5.000 -3.658 14.753 1.00 0.00 O ATOM 1108 ND2 ASN A 75 6.371 -3.458 12.986 1.00 0.00 N ATOM 0 H ASN A 75 2.662 -2.556 11.645 1.00 0.00 H new ATOM 0 HA ASN A 75 2.962 -2.334 13.835 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.492 -1.161 12.713 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.189 -0.957 14.427 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.739 -4.401 13.108 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.713 -2.872 12.224 1.00 0.00 H new ATOM 1115 N GLY A 76 1.677 0.127 13.328 1.00 0.00 N ATOM 1116 CA GLY A 76 1.042 1.368 13.731 1.00 0.00 C ATOM 1117 C GLY A 76 1.593 2.570 12.989 1.00 0.00 C ATOM 1118 O GLY A 76 1.481 3.703 13.457 1.00 0.00 O ATOM 0 H GLY A 76 1.128 -0.446 12.687 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.031 1.297 13.555 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.180 1.512 14.803 1.00 0.00 H new ATOM 1122 N VAL A 77 2.191 2.323 11.828 1.00 0.00 N ATOM 1123 CA VAL A 77 2.762 3.393 11.019 1.00 0.00 C ATOM 1124 C VAL A 77 2.086 3.472 9.655 1.00 0.00 C ATOM 1125 O VAL A 77 2.037 2.488 8.916 1.00 0.00 O ATOM 1126 CB VAL A 77 4.277 3.198 10.819 1.00 0.00 C ATOM 1127 CG1 VAL A 77 4.549 2.377 9.567 1.00 0.00 C ATOM 1128 CG2 VAL A 77 4.982 4.544 10.747 1.00 0.00 C ATOM 0 H VAL A 77 2.293 1.391 11.427 1.00 0.00 H new ATOM 0 HA VAL A 77 2.591 4.324 11.560 1.00 0.00 H new ATOM 0 HB VAL A 77 4.672 2.652 11.676 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.624 2.250 9.442 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.076 1.399 9.663 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.141 2.893 8.698 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.051 4.388 10.606 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.585 5.118 9.910 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.815 5.092 11.674 1.00 0.00 H new ATOM 1138 N THR A 78 1.565 4.649 9.326 1.00 0.00 N ATOM 1139 CA THR A 78 0.890 4.857 8.051 1.00 0.00 C ATOM 1140 C THR A 78 1.656 5.845 7.178 1.00 0.00 C ATOM 1141 O THR A 78 2.219 6.820 7.675 1.00 0.00 O ATOM 1142 CB THR A 78 -0.546 5.375 8.253 1.00 0.00 C ATOM 1143 OG1 THR A 78 -0.530 6.572 9.038 1.00 0.00 O ATOM 1144 CG2 THR A 78 -1.408 4.325 8.938 1.00 0.00 C ATOM 0 H THR A 78 1.597 5.474 9.925 1.00 0.00 H new ATOM 0 HA THR A 78 0.852 3.889 7.552 1.00 0.00 H new ATOM 0 HB THR A 78 -0.972 5.590 7.273 1.00 0.00 H new ATOM 0 HG1 THR A 78 -1.447 6.895 9.160 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.418 4.713 9.070 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.443 3.425 8.324 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.982 4.083 9.912 1.00 0.00 H new ATOM 1152 N GLY A 79 1.673 5.587 5.874 1.00 0.00 N ATOM 1153 CA GLY A 79 2.372 6.464 4.953 1.00 0.00 C ATOM 1154 C GLY A 79 1.870 6.329 3.529 1.00 0.00 C ATOM 1155 O GLY A 79 0.682 6.099 3.301 1.00 0.00 O ATOM 0 H GLY A 79 1.215 4.786 5.439 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.254 7.497 5.280 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.438 6.240 4.982 1.00 0.00 H new ATOM 1159 N LEU A 80 2.776 6.472 2.568 1.00 0.00 N ATOM 1160 CA LEU A 80 2.419 6.366 1.158 1.00 0.00 C ATOM 1161 C LEU A 80 3.494 5.616 0.378 1.00 0.00 C ATOM 1162 O LEU A 80 4.684 5.903 0.509 1.00 0.00 O ATOM 1163 CB LEU A 80 2.214 7.758 0.557 1.00 0.00 C ATOM 1164 CG LEU A 80 0.946 8.496 0.988 1.00 0.00 C ATOM 1165 CD1 LEU A 80 0.983 9.941 0.517 1.00 0.00 C ATOM 1166 CD2 LEU A 80 -0.290 7.789 0.451 1.00 0.00 C ATOM 0 H LEU A 80 3.763 6.662 2.740 1.00 0.00 H new ATOM 0 HA LEU A 80 1.487 5.805 1.086 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.075 8.374 0.817 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.205 7.665 -0.529 1.00 0.00 H new ATOM 0 HG LEU A 80 0.898 8.492 2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.072 10.450 0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.848 10.443 0.950 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.055 9.968 -0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.183 8.328 0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.249 7.762 -0.638 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.324 6.771 0.839 1.00 0.00 H new ATOM 1178 N PHE A 81 3.067 4.656 -0.435 1.00 0.00 N ATOM 1179 CA PHE A 81 3.993 3.865 -1.237 1.00 0.00 C ATOM 1180 C PHE A 81 3.343 3.427 -2.546 1.00 0.00 C ATOM 1181 O PHE A 81 2.122 3.310 -2.652 1.00 0.00 O ATOM 1182 CB PHE A 81 4.462 2.638 -0.452 1.00 0.00 C ATOM 1183 CG PHE A 81 3.337 1.838 0.139 1.00 0.00 C ATOM 1184 CD1 PHE A 81 2.401 1.226 -0.679 1.00 0.00 C ATOM 1185 CD2 PHE A 81 3.214 1.700 1.512 1.00 0.00 C ATOM 1186 CE1 PHE A 81 1.364 0.489 -0.138 1.00 0.00 C ATOM 1187 CE2 PHE A 81 2.180 0.964 2.058 1.00 0.00 C ATOM 1188 CZ PHE A 81 1.253 0.359 1.232 1.00 0.00 C ATOM 0 H PHE A 81 2.085 4.407 -0.556 1.00 0.00 H new ATOM 0 HA PHE A 81 4.855 4.489 -1.471 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.046 1.996 -1.112 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.127 2.961 0.349 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.482 1.326 -1.751 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.934 2.173 2.163 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.642 0.015 -0.786 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.097 0.862 3.130 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.443 -0.215 1.657 1.00 0.00 H new ATOM 1198 N PRO A 82 4.176 3.179 -3.567 1.00 0.00 N ATOM 1199 CA PRO A 82 3.706 2.751 -4.887 1.00 0.00 C ATOM 1200 C PRO A 82 3.147 1.332 -4.871 1.00 0.00 C ATOM 1201 O PRO A 82 3.645 0.467 -4.150 1.00 0.00 O ATOM 1202 CB PRO A 82 4.966 2.819 -5.752 1.00 0.00 C ATOM 1203 CG PRO A 82 6.094 2.655 -4.793 1.00 0.00 C ATOM 1204 CD PRO A 82 5.643 3.298 -3.510 1.00 0.00 C ATOM 0 HA PRO A 82 2.889 3.375 -5.250 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.971 2.033 -6.507 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.032 3.769 -6.282 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.327 1.601 -4.641 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.999 3.130 -5.170 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.054 2.788 -2.639 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.960 4.339 -3.449 1.00 0.00 H new ATOM 1212 N SER A 83 2.111 1.100 -5.670 1.00 0.00 N ATOM 1213 CA SER A 83 1.482 -0.214 -5.745 1.00 0.00 C ATOM 1214 C SER A 83 2.336 -1.179 -6.563 1.00 0.00 C ATOM 1215 O SER A 83 1.921 -2.301 -6.850 1.00 0.00 O ATOM 1216 CB SER A 83 0.087 -0.101 -6.362 1.00 0.00 C ATOM 1217 OG SER A 83 0.159 0.324 -7.711 1.00 0.00 O ATOM 0 H SER A 83 1.689 1.805 -6.275 1.00 0.00 H new ATOM 0 HA SER A 83 1.392 -0.605 -4.731 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.417 -1.066 -6.308 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.512 0.605 -5.787 1.00 0.00 H new ATOM 0 HG SER A 83 -0.746 0.387 -8.083 1.00 0.00 H new ATOM 1223 N ASN A 84 3.531 -0.732 -6.935 1.00 0.00 N ATOM 1224 CA ASN A 84 4.444 -1.554 -7.721 1.00 0.00 C ATOM 1225 C ASN A 84 5.537 -2.148 -6.838 1.00 0.00 C ATOM 1226 O ASN A 84 6.309 -3.002 -7.277 1.00 0.00 O ATOM 1227 CB ASN A 84 5.072 -0.726 -8.843 1.00 0.00 C ATOM 1228 CG ASN A 84 4.044 0.082 -9.610 1.00 0.00 C ATOM 1229 OD1 ASN A 84 3.117 -0.472 -10.201 1.00 0.00 O ATOM 1230 ND2 ASN A 84 4.203 1.401 -9.605 1.00 0.00 N ATOM 0 H ASN A 84 3.890 0.195 -6.705 1.00 0.00 H new ATOM 0 HA ASN A 84 3.872 -2.371 -8.160 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.818 -0.053 -8.420 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.596 -1.390 -9.531 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.542 1.996 -10.104 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.986 1.818 -9.102 1.00 0.00 H new ATOM 1237 N TYR A 85 5.598 -1.691 -5.592 1.00 0.00 N ATOM 1238 CA TYR A 85 6.598 -2.175 -4.648 1.00 0.00 C ATOM 1239 C TYR A 85 5.977 -3.140 -3.644 1.00 0.00 C ATOM 1240 O TYR A 85 6.440 -3.258 -2.509 1.00 0.00 O ATOM 1241 CB TYR A 85 7.244 -1.000 -3.911 1.00 0.00 C ATOM 1242 CG TYR A 85 8.479 -0.461 -4.596 1.00 0.00 C ATOM 1243 CD1 TYR A 85 8.380 0.291 -5.760 1.00 0.00 C ATOM 1244 CD2 TYR A 85 9.746 -0.703 -4.079 1.00 0.00 C ATOM 1245 CE1 TYR A 85 9.506 0.785 -6.390 1.00 0.00 C ATOM 1246 CE2 TYR A 85 10.878 -0.212 -4.702 1.00 0.00 C ATOM 1247 CZ TYR A 85 10.752 0.531 -5.857 1.00 0.00 C ATOM 1248 OH TYR A 85 11.876 1.023 -6.480 1.00 0.00 O ATOM 0 H TYR A 85 4.966 -0.986 -5.212 1.00 0.00 H new ATOM 0 HA TYR A 85 7.364 -2.708 -5.211 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.513 -0.197 -3.814 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.507 -1.316 -2.901 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.406 0.493 -6.180 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.848 -1.285 -3.175 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.411 1.367 -7.295 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.855 -0.409 -4.287 1.00 0.00 H new ATOM 0 HH TYR A 85 12.673 0.756 -5.976 1.00 0.00 H new ATOM 1258 N VAL A 86 4.924 -3.831 -4.070 1.00 0.00 N ATOM 1259 CA VAL A 86 4.239 -4.789 -3.210 1.00 0.00 C ATOM 1260 C VAL A 86 3.506 -5.841 -4.035 1.00 0.00 C ATOM 1261 O VAL A 86 3.001 -5.555 -5.121 1.00 0.00 O ATOM 1262 CB VAL A 86 3.231 -4.087 -2.281 1.00 0.00 C ATOM 1263 CG1 VAL A 86 3.913 -2.980 -1.491 1.00 0.00 C ATOM 1264 CG2 VAL A 86 2.060 -3.538 -3.082 1.00 0.00 C ATOM 0 H VAL A 86 4.527 -3.745 -5.006 1.00 0.00 H new ATOM 0 HA VAL A 86 5.004 -5.275 -2.604 1.00 0.00 H new ATOM 0 HB VAL A 86 2.845 -4.821 -1.573 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.185 -2.496 -0.840 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.714 -3.405 -0.886 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.330 -2.245 -2.180 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.358 -3.045 -2.409 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.426 -2.819 -3.815 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.556 -4.356 -3.597 1.00 0.00 H new ATOM 1274 N LYS A 87 3.449 -7.061 -3.511 1.00 0.00 N ATOM 1275 CA LYS A 87 2.776 -8.158 -4.197 1.00 0.00 C ATOM 1276 C LYS A 87 1.723 -8.797 -3.298 1.00 0.00 C ATOM 1277 O LYS A 87 2.039 -9.314 -2.227 1.00 0.00 O ATOM 1278 CB LYS A 87 3.794 -9.212 -4.637 1.00 0.00 C ATOM 1279 CG LYS A 87 3.382 -9.971 -5.886 1.00 0.00 C ATOM 1280 CD LYS A 87 4.547 -10.748 -6.477 1.00 0.00 C ATOM 1281 CE LYS A 87 4.344 -11.016 -7.960 1.00 0.00 C ATOM 1282 NZ LYS A 87 5.558 -11.606 -8.588 1.00 0.00 N ATOM 0 H LYS A 87 3.861 -7.315 -2.613 1.00 0.00 H new ATOM 0 HA LYS A 87 2.278 -7.752 -5.078 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.753 -8.726 -4.817 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.944 -9.922 -3.824 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.571 -10.658 -5.644 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.997 -9.271 -6.628 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.471 -10.188 -6.331 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.661 -11.694 -5.948 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.500 -11.693 -8.095 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.090 -10.085 -8.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.379 -11.774 -9.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.358 -10.949 -8.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.786 -12.508 -8.122 1.00 0.00 H new ATOM 1296 N MET A 88 0.471 -8.758 -3.741 1.00 0.00 N ATOM 1297 CA MET A 88 -0.629 -9.336 -2.977 1.00 0.00 C ATOM 1298 C MET A 88 -0.198 -10.634 -2.301 1.00 0.00 C ATOM 1299 O MET A 88 0.116 -11.620 -2.970 1.00 0.00 O ATOM 1300 CB MET A 88 -1.830 -9.596 -3.887 1.00 0.00 C ATOM 1301 CG MET A 88 -2.623 -8.342 -4.220 1.00 0.00 C ATOM 1302 SD MET A 88 -4.084 -8.688 -5.218 1.00 0.00 S ATOM 1303 CE MET A 88 -5.049 -7.207 -4.931 1.00 0.00 C ATOM 0 H MET A 88 0.192 -8.332 -4.625 1.00 0.00 H new ATOM 0 HA MET A 88 -0.916 -8.622 -2.205 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.481 -10.052 -4.813 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.491 -10.317 -3.406 1.00 0.00 H new ATOM 0 HG2 MET A 88 -2.928 -7.853 -3.295 1.00 0.00 H new ATOM 0 HG3 MET A 88 -1.981 -7.642 -4.754 1.00 0.00 H new ATOM 0 HE1 MET A 88 -5.986 -7.271 -5.484 1.00 0.00 H new ATOM 0 HE2 MET A 88 -5.261 -7.112 -3.866 1.00 0.00 H new ATOM 0 HE3 MET A 88 -4.487 -6.336 -5.268 1.00 0.00 H new ATOM 1313 N THR A 89 -0.183 -10.628 -0.972 1.00 0.00 N ATOM 1314 CA THR A 89 0.211 -11.804 -0.207 1.00 0.00 C ATOM 1315 C THR A 89 -0.732 -12.973 -0.470 1.00 0.00 C ATOM 1316 O THR A 89 -0.295 -14.113 -0.631 1.00 0.00 O ATOM 1317 CB THR A 89 0.234 -11.509 1.305 1.00 0.00 C ATOM 1318 OG1 THR A 89 -1.084 -11.182 1.761 1.00 0.00 O ATOM 1319 CG2 THR A 89 1.183 -10.362 1.618 1.00 0.00 C ATOM 0 H THR A 89 -0.439 -9.821 -0.403 1.00 0.00 H new ATOM 0 HA THR A 89 1.216 -12.071 -0.534 1.00 0.00 H new ATOM 0 HB THR A 89 0.585 -12.402 1.822 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.343 -10.304 1.410 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.182 -10.172 2.691 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.191 -10.625 1.297 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.857 -9.466 1.091 1.00 0.00 H new ATOM 1327 N THR A 90 -2.029 -12.683 -0.514 1.00 0.00 N ATOM 1328 CA THR A 90 -3.033 -13.710 -0.758 1.00 0.00 C ATOM 1329 C THR A 90 -3.066 -14.728 0.377 1.00 0.00 C ATOM 1330 O THR A 90 -3.255 -15.922 0.147 1.00 0.00 O ATOM 1331 CB THR A 90 -2.774 -14.446 -2.085 1.00 0.00 C ATOM 1332 OG1 THR A 90 -2.172 -13.555 -3.030 1.00 0.00 O ATOM 1333 CG2 THR A 90 -4.068 -15.002 -2.658 1.00 0.00 C ATOM 0 H THR A 90 -2.408 -11.745 -0.384 1.00 0.00 H new ATOM 0 HA THR A 90 -3.996 -13.202 -0.815 1.00 0.00 H new ATOM 0 HB THR A 90 -2.097 -15.277 -1.887 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.009 -14.031 -3.871 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.859 -15.517 -3.595 1.00 0.00 H new ATOM 0 HG22 THR A 90 -4.508 -15.703 -1.949 1.00 0.00 H new ATOM 0 HG23 THR A 90 -4.766 -14.185 -2.841 1.00 0.00 H new ATOM 1341 N ASP A 91 -2.880 -14.248 1.601 1.00 0.00 N ATOM 1342 CA ASP A 91 -2.890 -15.116 2.773 1.00 0.00 C ATOM 1343 C ASP A 91 -4.063 -16.090 2.718 1.00 0.00 C ATOM 1344 O ASP A 91 -5.224 -15.681 2.755 1.00 0.00 O ATOM 1345 CB ASP A 91 -2.963 -14.282 4.052 1.00 0.00 C ATOM 1346 CG ASP A 91 -4.360 -13.761 4.325 1.00 0.00 C ATOM 1347 OD1 ASP A 91 -4.709 -12.690 3.787 1.00 0.00 O ATOM 1348 OD2 ASP A 91 -5.105 -14.424 5.078 1.00 0.00 O ATOM 0 H ASP A 91 -2.720 -13.262 1.808 1.00 0.00 H new ATOM 0 HA ASP A 91 -1.964 -15.691 2.776 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -2.633 -14.887 4.896 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.274 -13.441 3.974 1.00 0.00 H new ATOM 1353 N SER A 92 -3.753 -17.379 2.629 1.00 0.00 N ATOM 1354 CA SER A 92 -4.781 -18.410 2.564 1.00 0.00 C ATOM 1355 C SER A 92 -5.447 -18.600 3.923 1.00 0.00 C ATOM 1356 O SER A 92 -4.781 -18.602 4.958 1.00 0.00 O ATOM 1357 CB SER A 92 -4.177 -19.734 2.090 1.00 0.00 C ATOM 1358 OG SER A 92 -5.182 -20.609 1.608 1.00 0.00 O ATOM 0 H SER A 92 -2.797 -17.734 2.600 1.00 0.00 H new ATOM 0 HA SER A 92 -5.538 -18.088 1.849 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.448 -19.544 1.302 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.641 -20.208 2.912 1.00 0.00 H new ATOM 0 HG SER A 92 -4.771 -21.447 1.310 1.00 0.00 H new ATOM 1364 N SER A 93 -6.767 -18.759 3.912 1.00 0.00 N ATOM 1365 CA SER A 93 -7.525 -18.945 5.143 1.00 0.00 C ATOM 1366 C SER A 93 -7.852 -20.420 5.362 1.00 0.00 C ATOM 1367 O SER A 93 -8.916 -20.896 4.970 1.00 0.00 O ATOM 1368 CB SER A 93 -8.816 -18.126 5.101 1.00 0.00 C ATOM 1369 OG SER A 93 -9.264 -17.813 6.408 1.00 0.00 O ATOM 0 H SER A 93 -7.333 -18.763 3.064 1.00 0.00 H new ATOM 0 HA SER A 93 -6.911 -18.599 5.974 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.649 -17.206 4.541 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.588 -18.685 4.573 1.00 0.00 H new ATOM 0 HG SER A 93 -10.090 -17.288 6.354 1.00 0.00 H new ATOM 1375 N GLY A 94 -6.926 -21.137 5.991 1.00 0.00 N ATOM 1376 CA GLY A 94 -7.133 -22.550 6.252 1.00 0.00 C ATOM 1377 C GLY A 94 -6.065 -23.419 5.618 1.00 0.00 C ATOM 1378 O GLY A 94 -5.523 -23.101 4.559 1.00 0.00 O ATOM 0 H GLY A 94 -6.037 -20.765 6.324 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -7.143 -22.720 7.329 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.111 -22.847 5.873 1.00 0.00 H new ATOM 1382 N PRO A 95 -5.746 -24.545 6.274 1.00 0.00 N ATOM 1383 CA PRO A 95 -4.733 -25.485 5.786 1.00 0.00 C ATOM 1384 C PRO A 95 -5.185 -26.227 4.533 1.00 0.00 C ATOM 1385 O PRO A 95 -6.381 -26.363 4.279 1.00 0.00 O ATOM 1386 CB PRO A 95 -4.563 -26.460 6.954 1.00 0.00 C ATOM 1387 CG PRO A 95 -5.857 -26.399 7.689 1.00 0.00 C ATOM 1388 CD PRO A 95 -6.351 -24.987 7.541 1.00 0.00 C ATOM 0 HA PRO A 95 -3.812 -24.978 5.498 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -4.356 -27.470 6.600 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.730 -26.170 7.594 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -6.574 -27.109 7.276 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -5.722 -26.657 8.739 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -7.439 -24.944 7.503 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -6.036 -24.362 8.376 1.00 0.00 H new ATOM 1396 N SER A 96 -4.220 -26.704 3.753 1.00 0.00 N ATOM 1397 CA SER A 96 -4.519 -27.429 2.524 1.00 0.00 C ATOM 1398 C SER A 96 -5.461 -28.598 2.799 1.00 0.00 C ATOM 1399 O SER A 96 -5.580 -29.061 3.933 1.00 0.00 O ATOM 1400 CB SER A 96 -3.229 -27.941 1.882 1.00 0.00 C ATOM 1401 OG SER A 96 -2.413 -28.604 2.832 1.00 0.00 O ATOM 0 H SER A 96 -3.225 -26.601 3.951 1.00 0.00 H new ATOM 0 HA SER A 96 -5.011 -26.741 1.836 1.00 0.00 H new ATOM 0 HB2 SER A 96 -3.471 -28.623 1.067 1.00 0.00 H new ATOM 0 HB3 SER A 96 -2.680 -27.106 1.446 1.00 0.00 H new ATOM 0 HG SER A 96 -1.596 -28.923 2.395 1.00 0.00 H new ATOM 1407 N SER A 97 -6.130 -29.069 1.751 1.00 0.00 N ATOM 1408 CA SER A 97 -7.065 -30.181 1.879 1.00 0.00 C ATOM 1409 C SER A 97 -6.323 -31.486 2.152 1.00 0.00 C ATOM 1410 O SER A 97 -5.564 -31.969 1.313 1.00 0.00 O ATOM 1411 CB SER A 97 -7.906 -30.316 0.608 1.00 0.00 C ATOM 1412 OG SER A 97 -8.859 -29.271 0.514 1.00 0.00 O ATOM 0 H SER A 97 -6.042 -28.698 0.805 1.00 0.00 H new ATOM 0 HA SER A 97 -7.724 -29.974 2.722 1.00 0.00 H new ATOM 0 HB2 SER A 97 -7.255 -30.299 -0.266 1.00 0.00 H new ATOM 0 HB3 SER A 97 -8.416 -31.279 0.606 1.00 0.00 H new ATOM 0 HG SER A 97 -9.383 -29.379 -0.307 1.00 0.00 H new ATOM 1418 N GLY A 98 -6.550 -32.052 3.334 1.00 0.00 N ATOM 1419 CA GLY A 98 -5.897 -33.296 3.698 1.00 0.00 C ATOM 1420 C GLY A 98 -6.342 -33.809 5.053 1.00 0.00 C ATOM 1421 O GLY A 98 -6.127 -33.155 6.073 1.00 0.00 O ATOM 0 H GLY A 98 -7.174 -31.671 4.045 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -6.109 -34.050 2.940 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.817 -33.147 3.706 1.00 0.00 H new TER 1425 GLY A 98