USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 750 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 93 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 97 ASN :FLIP amide:sc= -1.9 F(o=-3.3,f=-1.9) USER MOD Set 2.1: A 92 GLN : amide:sc= -3.87! C(o=-5.7!,f=-6!) USER MOD Set 2.2: A 96 TYR OH : rot -154:sc= -1.79! USER MOD Set 3.1: A 81 LYS NZ :NH3+ -154:sc= 0.793! (180deg=-0.494!) USER MOD Set 3.2: A 82 TYR OH : rot 141:sc= 0.306 USER MOD Set 4.1: A 46 THR OG1 : rot -9:sc= 0.289 USER MOD Set 4.2: A 65 HIS :FLIP no HD1:sc= 0.306 F(o=-0.41,f=0.6) USER MOD Set 5.1: A 62 LYS NZ :NH3+ -154:sc= -9.03! (180deg=-10.8!) USER MOD Set 5.2: A 64 TYR OH : rot -165:sc= -2! USER MOD Set 6.1: A 48 SER OG : rot -6:sc= -10.2! USER MOD Set 6.2: A 63 HIS : no HE2:sc= -28.7! C(o=-39!,f=-44!) USER MOD Set 7.1: A 5 ASN :FLIP amide:sc= 0.811 F(o=-1.8!,f=0.81) USER MOD Set 7.2: A 9 TYR OH : rot -9:sc=-0.000753 USER MOD Single : A 8 THR OG1 : rot -33:sc= 0.714 USER MOD Single : A 12 TYR OH : rot 108:sc= -7.08! USER MOD Single : A 13 ASN : amide:sc= -7.76! C(o=-7.8!,f=-17!) USER MOD Single : A 14 LYS NZ :NH3+ -156:sc= -0.109 (180deg=-0.525) USER MOD Single : A 15 SER OG : rot 23:sc= 0.453 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 102:sc= -0.207 USER MOD Single : A 30 LYS NZ :NH3+ 162:sc= 0.787 (180deg=-0.325!) USER MOD Single : A 35 MET CE :methyl -142:sc= -13.8! (180deg=-18.4!) USER MOD Single : A 45 TYR OH : rot -139:sc= 0.576 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -106:sc= -0.95 (180deg=-3.43!) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 70:sc= 1.2 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.0224 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS :FLIP no HE2:sc= -23.6! C(o=-24!,f=-24!) USER MOD Single : A 95 GLN :FLIP amide:sc= -7.07! C(o=-12!,f=-7.1!) USER MOD Single : A 103 THR OG1 : rot -54:sc= -1.91! USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot -49:sc= -1.02 USER MOD ----------------------------------------------------------------- ATOM 21 N ASN A 5 -2.836 11.780 7.868 1.00 0.00 N ATOM 22 CA ASN A 5 -3.036 10.789 8.920 1.00 0.00 C ATOM 23 C ASN A 5 -2.771 9.378 8.404 1.00 0.00 C ATOM 24 O ASN A 5 -2.988 8.399 9.115 1.00 0.00 O ATOM 25 CB ASN A 5 -4.459 10.881 9.474 1.00 0.00 C ATOM 26 CG ASN A 5 -5.436 11.454 8.466 1.00 0.00 C ATOM 27 OD1 ASN A 5 -6.154 10.578 7.771 1.00 0.00 O flip ATOM 28 ND2 ASN A 5 -5.546 12.671 8.315 1.00 0.00 N flip ATOM 0 HA ASN A 5 -2.326 11.002 9.719 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -4.793 9.888 9.776 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -4.458 11.503 10.369 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -4.974 13.308 8.870 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -6.209 13.043 7.635 1.00 0.00 H new ATOM 35 N LEU A 6 -2.302 9.283 7.163 1.00 0.00 N ATOM 36 CA LEU A 6 -2.011 7.993 6.547 1.00 0.00 C ATOM 37 C LEU A 6 -0.940 7.242 7.331 1.00 0.00 C ATOM 38 O LEU A 6 -1.021 6.029 7.521 1.00 0.00 O ATOM 39 CB LEU A 6 -1.553 8.198 5.100 1.00 0.00 C ATOM 40 CG LEU A 6 -1.156 6.925 4.350 1.00 0.00 C ATOM 41 CD1 LEU A 6 -2.387 6.215 3.818 1.00 0.00 C ATOM 42 CD2 LEU A 6 -0.199 7.250 3.213 1.00 0.00 C ATOM 0 H LEU A 6 -2.115 10.087 6.563 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.923 7.395 6.557 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.355 8.689 4.549 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.703 8.880 5.099 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.648 6.261 5.049 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.085 5.312 3.287 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.040 5.947 4.649 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.921 6.876 3.135 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.072 6.332 2.692 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.682 7.934 2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.700 7.717 3.616 1.00 0.00 H new ATOM 54 N GLU A 7 0.070 7.981 7.764 1.00 0.00 N ATOM 55 CA GLU A 7 1.184 7.417 8.513 1.00 0.00 C ATOM 56 C GLU A 7 0.757 6.964 9.904 1.00 0.00 C ATOM 57 O GLU A 7 1.478 6.220 10.570 1.00 0.00 O ATOM 58 CB GLU A 7 2.311 8.446 8.625 1.00 0.00 C ATOM 59 CG GLU A 7 2.337 9.440 7.476 1.00 0.00 C ATOM 60 CD GLU A 7 2.151 10.871 7.939 1.00 0.00 C ATOM 61 OE1 GLU A 7 2.509 11.172 9.098 1.00 0.00 O ATOM 62 OE2 GLU A 7 1.649 11.693 7.144 1.00 0.00 O ATOM 0 H GLU A 7 0.141 8.986 7.607 1.00 0.00 H new ATOM 0 HA GLU A 7 1.539 6.540 7.971 1.00 0.00 H new ATOM 0 HB2 GLU A 7 2.205 8.990 9.564 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.267 7.924 8.666 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.286 9.354 6.947 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.551 9.187 6.764 1.00 0.00 H new ATOM 69 N THR A 8 -0.411 7.417 10.345 1.00 0.00 N ATOM 70 CA THR A 8 -0.911 7.053 11.664 1.00 0.00 C ATOM 71 C THR A 8 -1.840 5.848 11.587 1.00 0.00 C ATOM 72 O THR A 8 -2.324 5.361 12.611 1.00 0.00 O ATOM 73 CB THR A 8 -1.638 8.236 12.305 1.00 0.00 C ATOM 74 OG1 THR A 8 -2.130 7.887 13.586 1.00 0.00 O ATOM 75 CG2 THR A 8 -2.809 8.735 11.487 1.00 0.00 C ATOM 0 H THR A 8 -1.025 8.033 9.812 1.00 0.00 H new ATOM 0 HA THR A 8 -0.055 6.785 12.283 1.00 0.00 H new ATOM 0 HB THR A 8 -0.894 9.030 12.368 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.379 6.939 13.594 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.279 9.574 11.999 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.457 9.059 10.508 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.536 7.932 11.364 1.00 0.00 H new ATOM 83 N TYR A 9 -2.084 5.367 10.376 1.00 0.00 N ATOM 84 CA TYR A 9 -2.949 4.219 10.179 1.00 0.00 C ATOM 85 C TYR A 9 -2.171 2.922 10.352 1.00 0.00 C ATOM 86 O TYR A 9 -0.943 2.926 10.431 1.00 0.00 O ATOM 87 CB TYR A 9 -3.586 4.257 8.791 1.00 0.00 C ATOM 88 CG TYR A 9 -4.571 5.385 8.604 1.00 0.00 C ATOM 89 CD1 TYR A 9 -4.143 6.637 8.191 1.00 0.00 C ATOM 90 CD2 TYR A 9 -5.928 5.197 8.832 1.00 0.00 C ATOM 91 CE1 TYR A 9 -5.036 7.674 8.010 1.00 0.00 C ATOM 92 CE2 TYR A 9 -6.831 6.227 8.651 1.00 0.00 C ATOM 93 CZ TYR A 9 -6.381 7.466 8.238 1.00 0.00 C ATOM 94 OH TYR A 9 -7.278 8.498 8.053 1.00 0.00 O ATOM 0 H TYR A 9 -1.694 5.756 9.517 1.00 0.00 H new ATOM 0 HA TYR A 9 -3.737 4.260 10.931 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -2.799 4.347 8.042 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -4.093 3.310 8.608 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -3.092 6.804 8.008 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.283 4.230 9.156 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -4.684 8.644 7.691 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.883 6.064 8.831 1.00 0.00 H new ATOM 0 HH TYR A 9 -6.789 9.335 7.909 1.00 0.00 H new ATOM 104 N GLU A 10 -2.895 1.813 10.407 1.00 0.00 N ATOM 105 CA GLU A 10 -2.277 0.504 10.568 1.00 0.00 C ATOM 106 C GLU A 10 -1.779 -0.034 9.237 1.00 0.00 C ATOM 107 O GLU A 10 -1.929 -1.220 8.951 1.00 0.00 O ATOM 108 CB GLU A 10 -3.279 -0.485 11.160 1.00 0.00 C ATOM 109 CG GLU A 10 -2.682 -1.852 11.447 1.00 0.00 C ATOM 110 CD GLU A 10 -1.702 -1.830 12.604 1.00 0.00 C ATOM 111 OE1 GLU A 10 -2.141 -1.597 13.750 1.00 0.00 O ATOM 112 OE2 GLU A 10 -0.495 -2.046 12.365 1.00 0.00 O ATOM 0 H GLU A 10 -3.913 1.793 10.342 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.429 0.620 11.243 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.683 -0.072 12.084 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.115 -0.600 10.470 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.485 -2.555 11.669 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.176 -2.218 10.554 1.00 0.00 H new ATOM 119 N TRP A 11 -1.202 0.827 8.407 1.00 0.00 N ATOM 120 CA TRP A 11 -0.726 0.370 7.113 1.00 0.00 C ATOM 121 C TRP A 11 0.249 1.338 6.429 1.00 0.00 C ATOM 122 O TRP A 11 0.901 0.958 5.458 1.00 0.00 O ATOM 123 CB TRP A 11 -1.929 0.098 6.214 1.00 0.00 C ATOM 124 CG TRP A 11 -3.080 1.019 6.481 1.00 0.00 C ATOM 125 CD1 TRP A 11 -3.987 0.942 7.501 1.00 0.00 C ATOM 126 CD2 TRP A 11 -3.441 2.162 5.712 1.00 0.00 C ATOM 127 NE1 TRP A 11 -4.887 1.977 7.411 1.00 0.00 N ATOM 128 CE2 TRP A 11 -4.571 2.739 6.320 1.00 0.00 C ATOM 129 CE3 TRP A 11 -2.914 2.754 4.570 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -5.181 3.881 5.819 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -3.519 3.886 4.071 1.00 0.00 C ATOM 132 CH2 TRP A 11 -4.644 4.443 4.695 1.00 0.00 C ATOM 0 H TRP A 11 -1.056 1.818 8.601 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.154 -0.542 7.284 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.626 0.197 5.172 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -2.255 -0.932 6.355 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -3.995 0.179 8.266 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.662 2.148 8.052 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.046 2.334 4.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.048 4.309 6.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.120 4.353 3.183 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -5.095 5.332 4.280 1.00 0.00 H new ATOM 143 N TYR A 12 0.371 2.576 6.914 1.00 0.00 N ATOM 144 CA TYR A 12 1.296 3.514 6.282 1.00 0.00 C ATOM 145 C TYR A 12 2.693 3.406 6.891 1.00 0.00 C ATOM 146 O TYR A 12 2.887 3.668 8.078 1.00 0.00 O ATOM 147 CB TYR A 12 0.802 4.957 6.384 1.00 0.00 C ATOM 148 CG TYR A 12 1.589 5.905 5.498 1.00 0.00 C ATOM 149 CD1 TYR A 12 2.693 5.451 4.788 1.00 0.00 C ATOM 150 CD2 TYR A 12 1.233 7.241 5.363 1.00 0.00 C ATOM 151 CE1 TYR A 12 3.420 6.296 3.974 1.00 0.00 C ATOM 152 CE2 TYR A 12 1.956 8.095 4.550 1.00 0.00 C ATOM 153 CZ TYR A 12 3.048 7.617 3.858 1.00 0.00 C ATOM 154 OH TYR A 12 3.770 8.463 3.047 1.00 0.00 O ATOM 0 H TYR A 12 -0.142 2.942 7.716 1.00 0.00 H new ATOM 0 HA TYR A 12 1.345 3.242 5.228 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.252 4.997 6.108 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.873 5.290 7.420 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.989 4.416 4.875 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.377 7.619 5.902 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.276 5.923 3.431 1.00 0.00 H new ATOM 0 HE2 TYR A 12 1.666 9.131 4.458 1.00 0.00 H new ATOM 0 HH TYR A 12 3.249 8.670 2.243 1.00 0.00 H new ATOM 164 N ASN A 13 3.660 3.023 6.063 1.00 0.00 N ATOM 165 CA ASN A 13 5.043 2.881 6.504 1.00 0.00 C ATOM 166 C ASN A 13 5.927 3.949 5.853 1.00 0.00 C ATOM 167 O ASN A 13 6.082 3.979 4.633 1.00 0.00 O ATOM 168 CB ASN A 13 5.551 1.478 6.164 1.00 0.00 C ATOM 169 CG ASN A 13 6.260 0.821 7.330 1.00 0.00 C ATOM 170 OD1 ASN A 13 7.471 0.599 7.292 1.00 0.00 O ATOM 171 ND2 ASN A 13 5.506 0.504 8.377 1.00 0.00 N ATOM 0 H ASN A 13 3.510 2.804 5.078 1.00 0.00 H new ATOM 0 HA ASN A 13 5.087 3.020 7.584 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.711 0.855 5.856 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.232 1.537 5.315 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.927 0.058 9.192 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.506 0.706 8.366 1.00 0.00 H new ATOM 178 N LYS A 14 6.480 4.840 6.677 1.00 0.00 N ATOM 179 CA LYS A 14 7.320 5.931 6.190 1.00 0.00 C ATOM 180 C LYS A 14 8.778 5.514 5.982 1.00 0.00 C ATOM 181 O LYS A 14 9.314 4.685 6.715 1.00 0.00 O ATOM 182 CB LYS A 14 7.273 7.098 7.173 1.00 0.00 C ATOM 183 CG LYS A 14 6.659 8.357 6.590 1.00 0.00 C ATOM 184 CD LYS A 14 5.480 8.828 7.421 1.00 0.00 C ATOM 185 CE LYS A 14 5.195 10.299 7.189 1.00 0.00 C ATOM 186 NZ LYS A 14 6.308 11.165 7.669 1.00 0.00 N ATOM 0 H LYS A 14 6.359 4.826 7.690 1.00 0.00 H new ATOM 0 HA LYS A 14 6.920 6.225 5.220 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.703 6.799 8.052 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.286 7.320 7.510 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.412 9.144 6.543 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.333 8.166 5.567 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.597 8.240 7.169 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.686 8.658 8.478 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.033 10.474 6.125 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.274 10.575 7.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.943 12.117 7.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.718 10.756 8.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.041 11.227 6.934 1.00 0.00 H new ATOM 200 N SER A 15 9.409 6.124 4.978 1.00 0.00 N ATOM 201 CA SER A 15 10.810 5.863 4.656 1.00 0.00 C ATOM 202 C SER A 15 11.112 4.374 4.672 1.00 0.00 C ATOM 203 O SER A 15 12.214 3.955 5.025 1.00 0.00 O ATOM 204 CB SER A 15 11.728 6.592 5.638 1.00 0.00 C ATOM 205 OG SER A 15 11.395 6.276 6.979 1.00 0.00 O ATOM 0 H SER A 15 8.964 6.810 4.368 1.00 0.00 H new ATOM 0 HA SER A 15 10.994 6.237 3.649 1.00 0.00 H new ATOM 0 HB2 SER A 15 12.765 6.318 5.443 1.00 0.00 H new ATOM 0 HB3 SER A 15 11.649 7.668 5.484 1.00 0.00 H new ATOM 0 HG SER A 15 10.921 5.419 7.005 1.00 0.00 H new ATOM 211 N ILE A 16 10.123 3.585 4.295 1.00 0.00 N ATOM 212 CA ILE A 16 10.271 2.143 4.268 1.00 0.00 C ATOM 213 C ILE A 16 10.312 1.610 2.839 1.00 0.00 C ATOM 214 O ILE A 16 11.348 1.140 2.371 1.00 0.00 O ATOM 215 CB ILE A 16 9.116 1.476 5.030 1.00 0.00 C ATOM 216 CG1 ILE A 16 8.541 0.306 4.232 1.00 0.00 C ATOM 217 CG2 ILE A 16 8.037 2.500 5.335 1.00 0.00 C ATOM 218 CD1 ILE A 16 8.046 -0.832 5.098 1.00 0.00 C ATOM 0 H ILE A 16 9.205 3.921 4.002 1.00 0.00 H new ATOM 0 HA ILE A 16 11.218 1.901 4.751 1.00 0.00 H new ATOM 0 HB ILE A 16 9.501 1.081 5.970 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.718 0.667 3.615 1.00 0.00 H new ATOM 0 HG13 ILE A 16 9.306 -0.071 3.553 1.00 0.00 H new ATOM 0 HG21 ILE A 16 7.222 2.019 5.875 1.00 0.00 H new ATOM 0 HG22 ILE A 16 8.456 3.299 5.946 1.00 0.00 H new ATOM 0 HG23 ILE A 16 7.658 2.918 4.402 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.652 -1.627 4.464 1.00 0.00 H new ATOM 0 HD12 ILE A 16 8.871 -1.220 5.696 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.258 -0.470 5.759 1.00 0.00 H new ATOM 230 N SER A 17 9.172 1.679 2.161 1.00 0.00 N ATOM 231 CA SER A 17 9.056 1.199 0.795 1.00 0.00 C ATOM 232 C SER A 17 8.020 0.086 0.735 1.00 0.00 C ATOM 233 O SER A 17 7.962 -0.764 1.623 1.00 0.00 O ATOM 234 CB SER A 17 10.405 0.690 0.281 1.00 0.00 C ATOM 235 OG SER A 17 10.292 0.193 -1.040 1.00 0.00 O ATOM 0 H SER A 17 8.309 2.067 2.542 1.00 0.00 H new ATOM 0 HA SER A 17 8.740 2.025 0.158 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.136 1.498 0.308 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.775 -0.097 0.939 1.00 0.00 H new ATOM 0 HG SER A 17 11.167 -0.124 -1.346 1.00 0.00 H new ATOM 241 N ARG A 18 7.201 0.093 -0.304 1.00 0.00 N ATOM 242 CA ARG A 18 6.174 -0.921 -0.451 1.00 0.00 C ATOM 243 C ARG A 18 6.801 -2.304 -0.449 1.00 0.00 C ATOM 244 O ARG A 18 6.156 -3.288 -0.087 1.00 0.00 O ATOM 245 CB ARG A 18 5.394 -0.703 -1.748 1.00 0.00 C ATOM 246 CG ARG A 18 6.211 -0.981 -3.000 1.00 0.00 C ATOM 247 CD ARG A 18 5.462 -1.882 -3.967 1.00 0.00 C ATOM 248 NE ARG A 18 6.320 -2.358 -5.048 1.00 0.00 N ATOM 249 CZ ARG A 18 5.859 -2.896 -6.171 1.00 0.00 C ATOM 250 NH1 ARG A 18 4.552 -3.026 -6.360 1.00 0.00 N ATOM 251 NH2 ARG A 18 6.702 -3.307 -7.108 1.00 0.00 N ATOM 0 H ARG A 18 7.228 0.785 -1.053 1.00 0.00 H new ATOM 0 HA ARG A 18 5.485 -0.843 0.390 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.515 -1.347 -1.747 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.035 0.326 -1.779 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.454 -0.040 -3.493 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.155 -1.449 -2.723 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.054 -2.735 -3.425 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.616 -1.338 -4.388 1.00 0.00 H new ATOM 0 HE ARG A 18 7.330 -2.273 -4.934 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.899 -2.712 -5.642 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.200 -3.440 -7.223 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.708 -3.210 -6.967 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.345 -3.720 -7.970 1.00 0.00 H new ATOM 265 N ASP A 19 8.070 -2.377 -0.845 1.00 0.00 N ATOM 266 CA ASP A 19 8.771 -3.655 -0.870 1.00 0.00 C ATOM 267 C ASP A 19 8.976 -4.173 0.544 1.00 0.00 C ATOM 268 O ASP A 19 8.772 -5.358 0.831 1.00 0.00 O ATOM 269 CB ASP A 19 10.119 -3.513 -1.579 1.00 0.00 C ATOM 270 CG ASP A 19 10.819 -4.844 -1.766 1.00 0.00 C ATOM 271 OD1 ASP A 19 11.006 -5.563 -0.762 1.00 0.00 O ATOM 272 OD2 ASP A 19 11.179 -5.169 -2.916 1.00 0.00 O ATOM 0 H ASP A 19 8.626 -1.578 -1.149 1.00 0.00 H new ATOM 0 HA ASP A 19 8.161 -4.371 -1.421 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.967 -3.046 -2.552 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.761 -2.846 -1.003 1.00 0.00 H new ATOM 277 N LYS A 20 9.336 -3.259 1.435 1.00 0.00 N ATOM 278 CA LYS A 20 9.535 -3.596 2.834 1.00 0.00 C ATOM 279 C LYS A 20 8.187 -3.832 3.473 1.00 0.00 C ATOM 280 O LYS A 20 7.953 -4.849 4.125 1.00 0.00 O ATOM 281 CB LYS A 20 10.281 -2.479 3.564 1.00 0.00 C ATOM 282 CG LYS A 20 11.609 -2.110 2.921 1.00 0.00 C ATOM 283 CD LYS A 20 12.586 -1.558 3.945 1.00 0.00 C ATOM 284 CE LYS A 20 13.109 -0.190 3.536 1.00 0.00 C ATOM 285 NZ LYS A 20 14.464 0.076 4.094 1.00 0.00 N ATOM 0 H LYS A 20 9.496 -2.277 1.211 1.00 0.00 H new ATOM 0 HA LYS A 20 10.141 -4.499 2.904 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.646 -1.594 3.600 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.459 -2.786 4.595 1.00 0.00 H new ATOM 0 HG2 LYS A 20 12.040 -2.989 2.442 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.443 -1.370 2.138 1.00 0.00 H new ATOM 0 HD2 LYS A 20 12.095 -1.486 4.916 1.00 0.00 H new ATOM 0 HD3 LYS A 20 13.422 -2.248 4.061 1.00 0.00 H new ATOM 0 HE2 LYS A 20 13.145 -0.125 2.449 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.418 0.580 3.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 14.785 1.018 3.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 14.425 0.040 5.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 15.130 -0.644 3.747 1.00 0.00 H new ATOM 299 N ALA A 21 7.288 -2.896 3.242 1.00 0.00 N ATOM 300 CA ALA A 21 5.946 -3.020 3.756 1.00 0.00 C ATOM 301 C ALA A 21 5.313 -4.268 3.159 1.00 0.00 C ATOM 302 O ALA A 21 4.787 -5.120 3.870 1.00 0.00 O ATOM 303 CB ALA A 21 5.131 -1.781 3.425 1.00 0.00 C ATOM 0 H ALA A 21 7.464 -2.047 2.704 1.00 0.00 H new ATOM 0 HA ALA A 21 5.971 -3.111 4.842 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.122 -1.893 3.821 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.601 -0.906 3.873 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.085 -1.654 2.343 1.00 0.00 H new ATOM 309 N GLU A 22 5.415 -4.387 1.837 1.00 0.00 N ATOM 310 CA GLU A 22 4.891 -5.546 1.133 1.00 0.00 C ATOM 311 C GLU A 22 5.555 -6.799 1.669 1.00 0.00 C ATOM 312 O GLU A 22 4.882 -7.764 2.045 1.00 0.00 O ATOM 313 CB GLU A 22 5.139 -5.422 -0.371 1.00 0.00 C ATOM 314 CG GLU A 22 4.480 -6.521 -1.189 1.00 0.00 C ATOM 315 CD GLU A 22 5.353 -7.000 -2.332 1.00 0.00 C ATOM 316 OE1 GLU A 22 6.255 -6.242 -2.747 1.00 0.00 O ATOM 317 OE2 GLU A 22 5.135 -8.131 -2.813 1.00 0.00 O ATOM 0 H GLU A 22 5.857 -3.692 1.235 1.00 0.00 H new ATOM 0 HA GLU A 22 3.815 -5.604 1.296 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.770 -4.455 -0.713 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.213 -5.437 -0.556 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.246 -7.363 -0.538 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.534 -6.154 -1.588 1.00 0.00 H new ATOM 324 N LYS A 23 6.881 -6.762 1.742 1.00 0.00 N ATOM 325 CA LYS A 23 7.631 -7.883 2.278 1.00 0.00 C ATOM 326 C LYS A 23 7.212 -8.108 3.720 1.00 0.00 C ATOM 327 O LYS A 23 7.079 -9.242 4.180 1.00 0.00 O ATOM 328 CB LYS A 23 9.135 -7.621 2.196 1.00 0.00 C ATOM 329 CG LYS A 23 9.648 -6.698 3.287 1.00 0.00 C ATOM 330 CD LYS A 23 10.035 -7.472 4.536 1.00 0.00 C ATOM 331 CE LYS A 23 9.366 -6.896 5.773 1.00 0.00 C ATOM 332 NZ LYS A 23 10.327 -6.142 6.625 1.00 0.00 N ATOM 0 H LYS A 23 7.452 -5.973 1.438 1.00 0.00 H new ATOM 0 HA LYS A 23 7.417 -8.774 1.688 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.665 -8.571 2.256 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.368 -7.186 1.224 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.511 -6.143 2.919 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.880 -5.965 3.535 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.751 -8.518 4.420 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.118 -7.447 4.661 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.553 -6.236 5.472 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.922 -7.704 6.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.831 -5.766 7.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.090 -6.778 6.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.732 -5.355 6.079 1.00 0.00 H new ATOM 346 N LEU A 24 6.987 -7.007 4.420 1.00 0.00 N ATOM 347 CA LEU A 24 6.554 -7.055 5.808 1.00 0.00 C ATOM 348 C LEU A 24 5.131 -7.592 5.907 1.00 0.00 C ATOM 349 O LEU A 24 4.832 -8.437 6.749 1.00 0.00 O ATOM 350 CB LEU A 24 6.622 -5.661 6.435 1.00 0.00 C ATOM 351 CG LEU A 24 5.321 -5.176 7.082 1.00 0.00 C ATOM 352 CD1 LEU A 24 5.625 -4.234 8.234 1.00 0.00 C ATOM 353 CD2 LEU A 24 4.428 -4.491 6.054 1.00 0.00 C ATOM 0 H LEU A 24 7.098 -6.064 4.047 1.00 0.00 H new ATOM 0 HA LEU A 24 7.223 -7.724 6.350 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.409 -5.657 7.190 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.915 -4.947 5.665 1.00 0.00 H new ATOM 0 HG LEU A 24 4.787 -6.043 7.471 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.691 -3.897 8.685 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.222 -4.755 8.982 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.180 -3.373 7.863 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.510 -4.155 6.536 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.951 -3.633 5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.183 -5.195 5.258 1.00 0.00 H new ATOM 365 N LEU A 25 4.252 -7.079 5.045 1.00 0.00 N ATOM 366 CA LEU A 25 2.856 -7.497 5.046 1.00 0.00 C ATOM 367 C LEU A 25 2.681 -8.907 4.503 1.00 0.00 C ATOM 368 O LEU A 25 2.016 -9.738 5.122 1.00 0.00 O ATOM 369 CB LEU A 25 1.972 -6.503 4.278 1.00 0.00 C ATOM 370 CG LEU A 25 2.610 -5.826 3.065 1.00 0.00 C ATOM 371 CD1 LEU A 25 1.791 -6.107 1.817 1.00 0.00 C ATOM 372 CD2 LEU A 25 2.716 -4.325 3.296 1.00 0.00 C ATOM 0 H LEU A 25 4.484 -6.377 4.342 1.00 0.00 H new ATOM 0 HA LEU A 25 2.532 -7.505 6.087 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.077 -7.028 3.945 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.647 -5.727 4.971 1.00 0.00 H new ATOM 0 HG LEU A 25 3.612 -6.231 2.925 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.255 -5.620 0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.749 -7.182 1.644 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.780 -5.721 1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.172 -3.854 2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.721 -3.910 3.453 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.332 -4.135 4.175 1.00 0.00 H new ATOM 384 N LEU A 26 3.277 -9.178 3.355 1.00 0.00 N ATOM 385 CA LEU A 26 3.172 -10.501 2.754 1.00 0.00 C ATOM 386 C LEU A 26 3.701 -11.561 3.712 1.00 0.00 C ATOM 387 O LEU A 26 3.226 -12.697 3.731 1.00 0.00 O ATOM 388 CB LEU A 26 3.935 -10.554 1.428 1.00 0.00 C ATOM 389 CG LEU A 26 5.308 -11.220 1.497 1.00 0.00 C ATOM 390 CD1 LEU A 26 6.022 -11.113 0.160 1.00 0.00 C ATOM 391 CD2 LEU A 26 6.141 -10.591 2.600 1.00 0.00 C ATOM 0 H LEU A 26 3.834 -8.509 2.823 1.00 0.00 H new ATOM 0 HA LEU A 26 2.120 -10.705 2.553 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.326 -11.087 0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.060 -9.537 1.058 1.00 0.00 H new ATOM 0 HG LEU A 26 5.171 -12.277 1.725 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.998 -11.593 0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.429 -11.606 -0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.152 -10.062 -0.100 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.117 -11.074 2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.270 -9.528 2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.634 -10.719 3.557 1.00 0.00 H new ATOM 403 N ASP A 27 4.687 -11.171 4.508 1.00 0.00 N ATOM 404 CA ASP A 27 5.300 -12.064 5.484 1.00 0.00 C ATOM 405 C ASP A 27 4.324 -12.415 6.600 1.00 0.00 C ATOM 406 O ASP A 27 4.350 -13.522 7.139 1.00 0.00 O ATOM 407 CB ASP A 27 6.559 -11.426 6.073 1.00 0.00 C ATOM 408 CG ASP A 27 6.969 -12.061 7.386 1.00 0.00 C ATOM 409 OD1 ASP A 27 7.102 -13.303 7.429 1.00 0.00 O ATOM 410 OD2 ASP A 27 7.158 -11.318 8.373 1.00 0.00 O ATOM 0 H ASP A 27 5.084 -10.231 4.497 1.00 0.00 H new ATOM 0 HA ASP A 27 5.574 -12.984 4.968 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.377 -11.516 5.358 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.385 -10.361 6.226 1.00 0.00 H new ATOM 415 N THR A 28 3.477 -11.458 6.950 1.00 0.00 N ATOM 416 CA THR A 28 2.499 -11.647 8.014 1.00 0.00 C ATOM 417 C THR A 28 1.581 -12.819 7.706 1.00 0.00 C ATOM 418 O THR A 28 1.121 -13.517 8.610 1.00 0.00 O ATOM 419 CB THR A 28 1.674 -10.374 8.212 1.00 0.00 C ATOM 420 OG1 THR A 28 2.211 -9.306 7.452 1.00 0.00 O ATOM 421 CG2 THR A 28 1.607 -9.924 9.656 1.00 0.00 C ATOM 0 H THR A 28 3.447 -10.538 6.511 1.00 0.00 H new ATOM 0 HA THR A 28 3.040 -11.866 8.935 1.00 0.00 H new ATOM 0 HB THR A 28 0.667 -10.626 7.880 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.676 -9.180 6.641 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.007 -9.016 9.727 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.151 -10.708 10.261 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.614 -9.723 10.022 1.00 0.00 H new ATOM 429 N GLY A 29 1.325 -13.034 6.426 1.00 0.00 N ATOM 430 CA GLY A 29 0.468 -14.129 6.022 1.00 0.00 C ATOM 431 C GLY A 29 -0.983 -13.919 6.422 1.00 0.00 C ATOM 432 O GLY A 29 -1.680 -14.871 6.771 1.00 0.00 O ATOM 0 H GLY A 29 1.694 -12.471 5.660 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.528 -14.252 4.941 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.833 -15.054 6.468 1.00 0.00 H new ATOM 436 N LYS A 30 -1.439 -12.670 6.367 1.00 0.00 N ATOM 437 CA LYS A 30 -2.816 -12.342 6.724 1.00 0.00 C ATOM 438 C LYS A 30 -3.612 -11.919 5.502 1.00 0.00 C ATOM 439 O LYS A 30 -3.140 -11.126 4.686 1.00 0.00 O ATOM 440 CB LYS A 30 -2.856 -11.208 7.748 1.00 0.00 C ATOM 441 CG LYS A 30 -1.481 -10.754 8.211 1.00 0.00 C ATOM 442 CD LYS A 30 -1.576 -9.831 9.415 1.00 0.00 C ATOM 443 CE LYS A 30 -1.068 -8.437 9.090 1.00 0.00 C ATOM 444 NZ LYS A 30 -1.299 -7.486 10.212 1.00 0.00 N ATOM 0 H LYS A 30 -0.876 -11.870 6.079 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.260 -13.241 7.152 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.383 -10.358 7.315 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.432 -11.533 8.614 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.876 -11.624 8.465 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.973 -10.239 7.396 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -2.612 -9.773 9.749 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.998 -10.247 10.240 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.002 -8.482 8.866 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.567 -8.069 8.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.688 -6.653 10.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.295 -7.187 10.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.075 -7.953 11.114 1.00 0.00 H new ATOM 458 N GLU A 31 -4.832 -12.425 5.388 1.00 0.00 N ATOM 459 CA GLU A 31 -5.688 -12.061 4.274 1.00 0.00 C ATOM 460 C GLU A 31 -6.129 -10.613 4.429 1.00 0.00 C ATOM 461 O GLU A 31 -6.702 -10.237 5.454 1.00 0.00 O ATOM 462 CB GLU A 31 -6.911 -12.978 4.216 1.00 0.00 C ATOM 463 CG GLU A 31 -8.159 -12.367 4.831 1.00 0.00 C ATOM 464 CD GLU A 31 -8.899 -11.461 3.868 1.00 0.00 C ATOM 465 OE1 GLU A 31 -8.386 -11.232 2.753 1.00 0.00 O ATOM 466 OE2 GLU A 31 -9.994 -10.977 4.230 1.00 0.00 O ATOM 0 H GLU A 31 -5.246 -13.083 6.048 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.130 -12.174 3.345 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.116 -13.232 3.176 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.681 -13.910 4.732 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.826 -13.164 5.159 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.881 -11.798 5.719 1.00 0.00 H new ATOM 473 N GLY A 32 -5.859 -9.797 3.421 1.00 0.00 N ATOM 474 CA GLY A 32 -6.235 -8.404 3.488 1.00 0.00 C ATOM 475 C GLY A 32 -5.202 -7.557 4.190 1.00 0.00 C ATOM 476 O GLY A 32 -5.539 -6.531 4.766 1.00 0.00 O ATOM 0 H GLY A 32 -5.387 -10.076 2.561 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.386 -8.023 2.478 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.188 -8.313 4.009 1.00 0.00 H new ATOM 480 N ALA A 33 -3.940 -7.962 4.149 1.00 0.00 N ATOM 481 CA ALA A 33 -2.915 -7.166 4.810 1.00 0.00 C ATOM 482 C ALA A 33 -2.419 -6.076 3.873 1.00 0.00 C ATOM 483 O ALA A 33 -1.864 -6.366 2.815 1.00 0.00 O ATOM 484 CB ALA A 33 -1.763 -8.051 5.259 1.00 0.00 C ATOM 0 H ALA A 33 -3.609 -8.806 3.683 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.348 -6.697 5.693 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.006 -7.441 5.751 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.132 -8.803 5.956 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.324 -8.545 4.392 1.00 0.00 H new ATOM 490 N PHE A 34 -2.625 -4.819 4.257 1.00 0.00 N ATOM 491 CA PHE A 34 -2.192 -3.712 3.424 1.00 0.00 C ATOM 492 C PHE A 34 -1.285 -2.727 4.141 1.00 0.00 C ATOM 493 O PHE A 34 -1.195 -2.702 5.369 1.00 0.00 O ATOM 494 CB PHE A 34 -3.382 -2.969 2.829 1.00 0.00 C ATOM 495 CG PHE A 34 -4.408 -2.542 3.834 1.00 0.00 C ATOM 496 CD1 PHE A 34 -4.076 -1.715 4.896 1.00 0.00 C ATOM 497 CD2 PHE A 34 -5.714 -2.961 3.702 1.00 0.00 C ATOM 498 CE1 PHE A 34 -5.037 -1.319 5.803 1.00 0.00 C ATOM 499 CE2 PHE A 34 -6.675 -2.569 4.606 1.00 0.00 C ATOM 500 CZ PHE A 34 -6.339 -1.747 5.658 1.00 0.00 C ATOM 0 H PHE A 34 -3.083 -4.548 5.127 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.605 -4.167 2.626 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.018 -2.087 2.302 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.861 -3.609 2.088 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.057 -1.378 5.014 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.987 -3.605 2.879 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.769 -0.674 6.627 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -7.694 -2.907 4.490 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.093 -1.439 6.367 1.00 0.00 H new ATOM 510 N MET A 35 -0.647 -1.895 3.333 1.00 0.00 N ATOM 511 CA MET A 35 0.240 -0.846 3.809 1.00 0.00 C ATOM 512 C MET A 35 0.239 0.289 2.793 1.00 0.00 C ATOM 513 O MET A 35 -0.239 0.115 1.676 1.00 0.00 O ATOM 514 CB MET A 35 1.659 -1.376 3.993 1.00 0.00 C ATOM 515 CG MET A 35 2.536 -1.166 2.770 1.00 0.00 C ATOM 516 SD MET A 35 3.513 0.347 2.868 1.00 0.00 S ATOM 517 CE MET A 35 3.712 0.734 1.131 1.00 0.00 C ATOM 0 H MET A 35 -0.732 -1.930 2.317 1.00 0.00 H new ATOM 0 HA MET A 35 -0.113 -0.488 4.776 1.00 0.00 H new ATOM 0 HB2 MET A 35 2.117 -0.882 4.850 1.00 0.00 H new ATOM 0 HB3 MET A 35 1.616 -2.440 4.224 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.205 -2.019 2.656 1.00 0.00 H new ATOM 0 HG3 MET A 35 1.909 -1.132 1.879 1.00 0.00 H new ATOM 0 HE1 MET A 35 4.713 1.128 0.958 1.00 0.00 H new ATOM 0 HE2 MET A 35 3.571 -0.170 0.538 1.00 0.00 H new ATOM 0 HE3 MET A 35 2.973 1.480 0.837 1.00 0.00 H new ATOM 527 N VAL A 36 0.770 1.446 3.166 1.00 0.00 N ATOM 528 CA VAL A 36 0.809 2.576 2.246 1.00 0.00 C ATOM 529 C VAL A 36 2.170 3.261 2.271 1.00 0.00 C ATOM 530 O VAL A 36 2.758 3.456 3.333 1.00 0.00 O ATOM 531 CB VAL A 36 -0.294 3.605 2.557 1.00 0.00 C ATOM 532 CG1 VAL A 36 -1.609 3.190 1.918 1.00 0.00 C ATOM 533 CG2 VAL A 36 -0.452 3.785 4.058 1.00 0.00 C ATOM 0 H VAL A 36 1.174 1.626 4.085 1.00 0.00 H new ATOM 0 HA VAL A 36 0.633 2.174 1.248 1.00 0.00 H new ATOM 0 HB VAL A 36 0.001 4.564 2.131 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.375 3.930 2.149 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.483 3.123 0.837 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.913 2.219 2.308 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.236 4.516 4.256 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.721 2.832 4.512 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.488 4.137 4.483 1.00 0.00 H new ATOM 543 N ARG A 37 2.668 3.616 1.091 1.00 0.00 N ATOM 544 CA ARG A 37 3.959 4.268 0.970 1.00 0.00 C ATOM 545 C ARG A 37 3.836 5.606 0.249 1.00 0.00 C ATOM 546 O ARG A 37 3.118 5.725 -0.747 1.00 0.00 O ATOM 547 CB ARG A 37 4.945 3.363 0.231 1.00 0.00 C ATOM 548 CG ARG A 37 6.154 2.970 1.063 1.00 0.00 C ATOM 549 CD ARG A 37 6.921 4.192 1.544 1.00 0.00 C ATOM 550 NE ARG A 37 8.340 4.111 1.215 1.00 0.00 N ATOM 551 CZ ARG A 37 8.821 4.262 -0.014 1.00 0.00 C ATOM 552 NH1 ARG A 37 7.998 4.499 -1.026 1.00 0.00 N ATOM 553 NH2 ARG A 37 10.127 4.176 -0.233 1.00 0.00 N ATOM 0 H ARG A 37 2.191 3.460 0.203 1.00 0.00 H new ATOM 0 HA ARG A 37 4.334 4.457 1.976 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.426 2.460 -0.089 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.285 3.871 -0.671 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.830 2.381 1.921 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.813 2.335 0.471 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.495 5.088 1.093 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.804 4.292 2.623 1.00 0.00 H new ATOM 0 HE ARG A 37 9.000 3.928 1.971 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.994 4.566 -0.862 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.369 4.615 -1.969 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.763 3.994 0.543 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.494 4.292 -1.177 1.00 0.00 H new ATOM 567 N ASP A 38 4.549 6.605 0.762 1.00 0.00 N ATOM 568 CA ASP A 38 4.540 7.943 0.180 1.00 0.00 C ATOM 569 C ASP A 38 5.129 7.931 -1.226 1.00 0.00 C ATOM 570 O ASP A 38 6.071 7.192 -1.510 1.00 0.00 O ATOM 571 CB ASP A 38 5.325 8.911 1.066 1.00 0.00 C ATOM 572 CG ASP A 38 4.619 10.244 1.233 1.00 0.00 C ATOM 573 OD1 ASP A 38 4.139 10.792 0.219 1.00 0.00 O ATOM 574 OD2 ASP A 38 4.549 10.738 2.378 1.00 0.00 O ATOM 0 H ASP A 38 5.144 6.511 1.585 1.00 0.00 H new ATOM 0 HA ASP A 38 3.504 8.277 0.116 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.479 8.459 2.046 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.311 9.077 0.633 1.00 0.00 H new ATOM 663 N TYR A 45 0.820 8.217 -3.044 1.00 0.00 N ATOM 664 CA TYR A 45 1.129 7.183 -2.068 1.00 0.00 C ATOM 665 C TYR A 45 0.643 5.833 -2.567 1.00 0.00 C ATOM 666 O TYR A 45 -0.409 5.740 -3.198 1.00 0.00 O ATOM 667 CB TYR A 45 0.480 7.506 -0.721 1.00 0.00 C ATOM 668 CG TYR A 45 0.983 8.787 -0.094 1.00 0.00 C ATOM 669 CD1 TYR A 45 0.861 10.002 -0.757 1.00 0.00 C ATOM 670 CD2 TYR A 45 1.581 8.779 1.160 1.00 0.00 C ATOM 671 CE1 TYR A 45 1.321 11.174 -0.188 1.00 0.00 C ATOM 672 CE2 TYR A 45 2.042 9.948 1.736 1.00 0.00 C ATOM 673 CZ TYR A 45 1.911 11.142 1.059 1.00 0.00 C ATOM 674 OH TYR A 45 2.370 12.307 1.630 1.00 0.00 O ATOM 0 HA TYR A 45 2.210 7.146 -1.934 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.599 7.578 -0.856 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.661 6.680 -0.033 1.00 0.00 H new ATOM 0 HD1 TYR A 45 0.399 10.031 -1.733 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.687 7.846 1.693 1.00 0.00 H new ATOM 0 HE1 TYR A 45 1.219 12.110 -0.716 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.503 9.926 2.712 1.00 0.00 H new ATOM 0 HH TYR A 45 3.230 12.139 2.069 1.00 0.00 H new ATOM 684 N THR A 46 1.407 4.788 -2.286 1.00 0.00 N ATOM 685 CA THR A 46 1.032 3.452 -2.723 1.00 0.00 C ATOM 686 C THR A 46 0.622 2.586 -1.539 1.00 0.00 C ATOM 687 O THR A 46 1.196 2.690 -0.457 1.00 0.00 O ATOM 688 CB THR A 46 2.181 2.793 -3.485 1.00 0.00 C ATOM 689 OG1 THR A 46 2.637 3.633 -4.530 1.00 0.00 O ATOM 690 CG2 THR A 46 1.803 1.462 -4.096 1.00 0.00 C ATOM 0 H THR A 46 2.281 4.838 -1.763 1.00 0.00 H new ATOM 0 HA THR A 46 0.177 3.546 -3.392 1.00 0.00 H new ATOM 0 HB THR A 46 2.964 2.627 -2.745 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.022 4.389 -4.634 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.662 1.046 -4.623 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.493 0.775 -3.309 1.00 0.00 H new ATOM 0 HG23 THR A 46 0.981 1.604 -4.798 1.00 0.00 H new ATOM 698 N VAL A 47 -0.379 1.735 -1.748 1.00 0.00 N ATOM 699 CA VAL A 47 -0.865 0.862 -0.693 1.00 0.00 C ATOM 700 C VAL A 47 -0.515 -0.601 -0.955 1.00 0.00 C ATOM 701 O VAL A 47 -0.924 -1.174 -1.968 1.00 0.00 O ATOM 702 CB VAL A 47 -2.393 0.982 -0.518 1.00 0.00 C ATOM 703 CG1 VAL A 47 -3.095 -0.236 -1.097 1.00 0.00 C ATOM 704 CG2 VAL A 47 -2.755 1.161 0.950 1.00 0.00 C ATOM 0 H VAL A 47 -0.866 1.634 -2.638 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.368 1.188 0.221 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.730 1.864 -1.062 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.172 -0.133 -0.964 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.867 -0.317 -2.160 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.750 -1.133 -0.583 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.837 1.244 1.050 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.402 0.301 1.519 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.285 2.067 1.333 1.00 0.00 H new ATOM 714 N SER A 48 0.223 -1.205 -0.021 1.00 0.00 N ATOM 715 CA SER A 48 0.609 -2.611 -0.119 1.00 0.00 C ATOM 716 C SER A 48 -0.468 -3.479 0.512 1.00 0.00 C ATOM 717 O SER A 48 -0.694 -3.401 1.715 1.00 0.00 O ATOM 718 CB SER A 48 1.954 -2.858 0.582 1.00 0.00 C ATOM 719 OG SER A 48 2.494 -4.114 0.212 1.00 0.00 O ATOM 0 H SER A 48 0.567 -0.736 0.817 1.00 0.00 H new ATOM 0 HA SER A 48 0.718 -2.870 -1.172 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.655 -2.065 0.322 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.818 -2.821 1.663 1.00 0.00 H new ATOM 0 HG SER A 48 1.845 -4.600 -0.338 1.00 0.00 H new ATOM 725 N VAL A 49 -1.138 -4.291 -0.306 1.00 0.00 N ATOM 726 CA VAL A 49 -2.200 -5.156 0.187 1.00 0.00 C ATOM 727 C VAL A 49 -1.901 -6.624 -0.073 1.00 0.00 C ATOM 728 O VAL A 49 -1.402 -6.998 -1.142 1.00 0.00 O ATOM 729 CB VAL A 49 -3.552 -4.810 -0.447 1.00 0.00 C ATOM 730 CG1 VAL A 49 -4.661 -4.852 0.596 1.00 0.00 C ATOM 731 CG2 VAL A 49 -3.485 -3.450 -1.121 1.00 0.00 C ATOM 0 H VAL A 49 -0.962 -4.365 -1.308 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.251 -4.986 1.263 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.782 -5.556 -1.208 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.612 -4.603 0.126 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.719 -5.852 1.026 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.447 -4.130 1.384 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.452 -3.217 -1.567 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.234 -2.690 -0.382 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.721 -3.466 -1.899 1.00 0.00 H new ATOM 741 N PHE A 50 -2.221 -7.451 0.912 1.00 0.00 N ATOM 742 CA PHE A 50 -2.000 -8.883 0.810 1.00 0.00 C ATOM 743 C PHE A 50 -3.276 -9.660 1.104 1.00 0.00 C ATOM 744 O PHE A 50 -3.865 -9.522 2.184 1.00 0.00 O ATOM 745 CB PHE A 50 -0.893 -9.316 1.766 1.00 0.00 C ATOM 746 CG PHE A 50 -0.923 -10.780 2.078 1.00 0.00 C ATOM 747 CD1 PHE A 50 -1.249 -11.704 1.098 1.00 0.00 C ATOM 748 CD2 PHE A 50 -0.627 -11.234 3.349 1.00 0.00 C ATOM 749 CE1 PHE A 50 -1.280 -13.055 1.384 1.00 0.00 C ATOM 750 CE2 PHE A 50 -0.657 -12.580 3.642 1.00 0.00 C ATOM 751 CZ PHE A 50 -0.984 -13.494 2.658 1.00 0.00 C ATOM 0 H PHE A 50 -2.636 -7.151 1.794 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.696 -9.103 -0.213 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.074 -9.064 1.330 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.982 -8.751 2.694 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.481 -11.364 0.100 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.369 -10.525 4.122 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.535 -13.766 0.612 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.425 -12.921 4.640 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.008 -14.549 2.886 1.00 0.00 H new ATOM 761 N THR A 51 -3.687 -10.480 0.139 1.00 0.00 N ATOM 762 CA THR A 51 -4.884 -11.295 0.267 1.00 0.00 C ATOM 763 C THR A 51 -4.521 -12.742 0.587 1.00 0.00 C ATOM 764 O THR A 51 -3.576 -13.294 0.024 1.00 0.00 O ATOM 765 CB THR A 51 -5.707 -11.239 -1.021 1.00 0.00 C ATOM 766 OG1 THR A 51 -7.082 -11.435 -0.747 1.00 0.00 O ATOM 767 CG2 THR A 51 -5.290 -12.274 -2.044 1.00 0.00 C ATOM 0 H THR A 51 -3.199 -10.595 -0.749 1.00 0.00 H new ATOM 0 HA THR A 51 -5.480 -10.895 1.087 1.00 0.00 H new ATOM 0 HB THR A 51 -5.525 -10.248 -1.436 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.591 -11.394 -1.583 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.914 -12.179 -2.933 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.246 -12.118 -2.315 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.410 -13.272 -1.622 1.00 0.00 H new ATOM 775 N LYS A 52 -5.277 -13.353 1.494 1.00 0.00 N ATOM 776 CA LYS A 52 -5.029 -14.736 1.885 1.00 0.00 C ATOM 777 C LYS A 52 -5.763 -15.702 0.960 1.00 0.00 C ATOM 778 O LYS A 52 -6.973 -15.592 0.764 1.00 0.00 O ATOM 779 CB LYS A 52 -5.466 -14.967 3.331 1.00 0.00 C ATOM 780 CG LYS A 52 -4.960 -16.276 3.917 1.00 0.00 C ATOM 781 CD LYS A 52 -3.528 -16.148 4.409 1.00 0.00 C ATOM 782 CE LYS A 52 -2.609 -17.145 3.718 1.00 0.00 C ATOM 783 NZ LYS A 52 -1.214 -16.637 3.616 1.00 0.00 N ATOM 0 H LYS A 52 -6.064 -12.913 1.971 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.958 -14.923 1.803 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.109 -14.141 3.946 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.555 -14.953 3.380 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.604 -16.580 4.742 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.018 -17.060 3.162 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.169 -15.135 4.228 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.497 -16.309 5.487 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.613 -18.085 4.270 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.991 -17.359 2.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.018 -16.356 2.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.098 -15.814 4.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.550 -17.385 3.901 1.00 0.00 H new ATOM 797 N ALA A 53 -5.019 -16.645 0.393 1.00 0.00 N ATOM 798 CA ALA A 53 -5.589 -17.630 -0.511 1.00 0.00 C ATOM 799 C ALA A 53 -5.722 -18.989 0.163 1.00 0.00 C ATOM 800 O ALA A 53 -4.966 -19.320 1.077 1.00 0.00 O ATOM 801 CB ALA A 53 -4.749 -17.745 -1.773 1.00 0.00 C ATOM 0 H ALA A 53 -4.016 -16.746 0.546 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.588 -17.292 -0.784 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.191 -18.487 -2.438 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.716 -16.779 -2.278 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.737 -18.051 -1.510 1.00 0.00 H new ATOM 885 N PRO A 59 -1.728 -17.514 -2.519 1.00 0.00 N ATOM 886 CA PRO A 59 -2.132 -16.175 -2.073 1.00 0.00 C ATOM 887 C PRO A 59 -1.473 -15.073 -2.894 1.00 0.00 C ATOM 888 O PRO A 59 -0.301 -15.174 -3.256 1.00 0.00 O ATOM 889 CB PRO A 59 -1.649 -16.119 -0.619 1.00 0.00 C ATOM 890 CG PRO A 59 -0.566 -17.136 -0.533 1.00 0.00 C ATOM 891 CD PRO A 59 -0.947 -18.227 -1.495 1.00 0.00 C ATOM 0 HA PRO A 59 -3.204 -16.015 -2.184 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -1.279 -15.126 -0.364 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.459 -16.345 0.075 1.00 0.00 H new ATOM 0 HG2 PRO A 59 0.399 -16.702 -0.797 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.475 -17.524 0.481 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.069 -18.711 -1.923 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -1.535 -19.005 -1.009 1.00 0.00 H new ATOM 899 N CYS A 60 -2.231 -14.021 -3.191 1.00 0.00 N ATOM 900 CA CYS A 60 -1.709 -12.907 -3.974 1.00 0.00 C ATOM 901 C CYS A 60 -1.682 -11.617 -3.160 1.00 0.00 C ATOM 902 O CYS A 60 -2.725 -11.080 -2.788 1.00 0.00 O ATOM 903 CB CYS A 60 -2.550 -12.709 -5.236 1.00 0.00 C ATOM 904 SG CYS A 60 -3.797 -13.991 -5.502 1.00 0.00 S ATOM 0 H CYS A 60 -3.204 -13.917 -2.903 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.685 -13.150 -4.256 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -3.047 -11.740 -5.180 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -1.887 -12.678 -6.100 1.00 0.00 H new ATOM 0 HG CYS A 60 -4.458 -13.734 -6.592 1.00 0.00 H new ATOM 910 N ILE A 61 -0.476 -11.121 -2.901 1.00 0.00 N ATOM 911 CA ILE A 61 -0.293 -9.885 -2.148 1.00 0.00 C ATOM 912 C ILE A 61 0.227 -8.783 -3.068 1.00 0.00 C ATOM 913 O ILE A 61 1.264 -8.946 -3.712 1.00 0.00 O ATOM 914 CB ILE A 61 0.682 -10.093 -0.976 1.00 0.00 C ATOM 915 CG1 ILE A 61 1.641 -8.912 -0.849 1.00 0.00 C ATOM 916 CG2 ILE A 61 1.455 -11.391 -1.157 1.00 0.00 C ATOM 917 CD1 ILE A 61 2.031 -8.614 0.580 1.00 0.00 C ATOM 0 H ILE A 61 0.394 -11.559 -3.204 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.260 -9.588 -1.741 1.00 0.00 H new ATOM 0 HB ILE A 61 0.102 -10.157 -0.055 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.541 -9.119 -1.429 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.177 -8.027 -1.285 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.141 -11.526 -0.321 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.758 -12.228 -1.192 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.021 -11.351 -2.088 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.714 -7.764 0.601 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.138 -8.377 1.159 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.523 -9.485 1.012 1.00 0.00 H new ATOM 929 N LYS A 62 -0.503 -7.672 -3.154 1.00 0.00 N ATOM 930 CA LYS A 62 -0.099 -6.576 -4.034 1.00 0.00 C ATOM 931 C LYS A 62 -0.412 -5.205 -3.443 1.00 0.00 C ATOM 932 O LYS A 62 -1.241 -5.069 -2.541 1.00 0.00 O ATOM 933 CB LYS A 62 -0.765 -6.727 -5.404 1.00 0.00 C ATOM 934 CG LYS A 62 -1.613 -5.535 -5.820 1.00 0.00 C ATOM 935 CD LYS A 62 -3.090 -5.890 -5.857 1.00 0.00 C ATOM 936 CE LYS A 62 -3.496 -6.698 -4.635 1.00 0.00 C ATOM 937 NZ LYS A 62 -3.261 -5.949 -3.369 1.00 0.00 N ATOM 0 H LYS A 62 -1.365 -7.507 -2.634 1.00 0.00 H new ATOM 0 HA LYS A 62 0.984 -6.636 -4.145 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.008 -6.889 -6.155 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.392 -7.619 -5.394 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.453 -4.712 -5.124 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.296 -5.187 -6.803 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.684 -4.977 -5.906 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.306 -6.460 -6.761 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.551 -6.963 -4.709 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.934 -7.631 -4.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.119 -6.622 -2.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.415 -5.353 -3.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.085 -5.348 -3.163 1.00 0.00 H new ATOM 951 N HIS A 63 0.261 -4.189 -3.975 1.00 0.00 N ATOM 952 CA HIS A 63 0.075 -2.810 -3.538 1.00 0.00 C ATOM 953 C HIS A 63 -0.450 -1.951 -4.684 1.00 0.00 C ATOM 954 O HIS A 63 -0.160 -2.219 -5.850 1.00 0.00 O ATOM 955 CB HIS A 63 1.400 -2.219 -3.046 1.00 0.00 C ATOM 956 CG HIS A 63 2.551 -3.176 -3.114 1.00 0.00 C ATOM 957 ND1 HIS A 63 2.927 -3.851 -4.254 1.00 0.00 N ATOM 958 CD2 HIS A 63 3.420 -3.565 -2.147 1.00 0.00 C ATOM 959 CE1 HIS A 63 3.985 -4.614 -3.951 1.00 0.00 C ATOM 960 NE2 HIS A 63 4.325 -4.477 -2.685 1.00 0.00 N ATOM 0 H HIS A 63 0.949 -4.299 -4.720 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.649 -2.814 -2.723 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.637 -1.337 -3.641 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.278 -1.885 -2.016 1.00 0.00 H new ATOM 0 HD1 HIS A 63 2.479 -3.782 -5.168 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.411 -3.222 -1.123 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.494 -5.258 -4.653 1.00 0.00 H new ATOM 968 N TYR A 64 -1.201 -0.904 -4.354 1.00 0.00 N ATOM 969 CA TYR A 64 -1.723 -0.005 -5.381 1.00 0.00 C ATOM 970 C TYR A 64 -1.362 1.440 -5.072 1.00 0.00 C ATOM 971 O TYR A 64 -1.556 1.916 -3.951 1.00 0.00 O ATOM 972 CB TYR A 64 -3.244 -0.119 -5.537 1.00 0.00 C ATOM 973 CG TYR A 64 -3.901 -1.147 -4.653 1.00 0.00 C ATOM 974 CD1 TYR A 64 -3.772 -2.500 -4.921 1.00 0.00 C ATOM 975 CD2 TYR A 64 -4.665 -0.761 -3.561 1.00 0.00 C ATOM 976 CE1 TYR A 64 -4.383 -3.444 -4.119 1.00 0.00 C ATOM 977 CE2 TYR A 64 -5.277 -1.695 -2.755 1.00 0.00 C ATOM 978 CZ TYR A 64 -5.135 -3.037 -3.038 1.00 0.00 C ATOM 979 OH TYR A 64 -5.747 -3.975 -2.237 1.00 0.00 O ATOM 0 H TYR A 64 -1.459 -0.658 -3.398 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.259 -0.309 -6.319 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -3.689 0.854 -5.329 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -3.470 -0.358 -6.576 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -3.185 -2.821 -5.769 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.782 0.290 -3.339 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -4.272 -4.496 -4.338 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -5.865 -1.378 -1.906 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.420 -3.537 -1.676 1.00 0.00 H new ATOM 989 N HIS A 65 -0.844 2.139 -6.076 1.00 0.00 N ATOM 990 CA HIS A 65 -0.473 3.533 -5.917 1.00 0.00 C ATOM 991 C HIS A 65 -1.721 4.401 -5.841 1.00 0.00 C ATOM 992 O HIS A 65 -2.448 4.548 -6.823 1.00 0.00 O ATOM 993 CB HIS A 65 0.404 3.988 -7.083 1.00 0.00 C ATOM 994 CG HIS A 65 0.814 5.422 -6.985 1.00 0.00 C ATOM 995 ND1 HIS A 65 1.439 6.078 -5.976 1.00 0.00 N flip ATOM 996 CD2 HIS A 65 0.590 6.358 -7.968 1.00 0.00 C flip ATOM 997 CE1 HIS A 65 1.601 7.414 -6.333 1.00 0.00 C flip ATOM 998 NE2 HIS A 65 1.075 7.530 -7.537 1.00 0.00 N flip ATOM 0 H HIS A 65 -0.673 1.760 -7.007 1.00 0.00 H new ATOM 0 HA HIS A 65 0.092 3.637 -4.991 1.00 0.00 H new ATOM 0 HB2 HIS A 65 1.296 3.363 -7.124 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.136 3.834 -8.017 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.109 6.180 -8.918 1.00 0.00 H new ATOM 0 HE1 HIS A 65 2.062 8.194 -5.745 1.00 0.00 H new ATOM 0 HE2 HIS A 65 1.042 8.399 -8.070 1.00 0.00 H new ATOM 1006 N ILE A 66 -1.969 4.976 -4.670 1.00 0.00 N ATOM 1007 CA ILE A 66 -3.133 5.826 -4.478 1.00 0.00 C ATOM 1008 C ILE A 66 -3.112 6.992 -5.462 1.00 0.00 C ATOM 1009 O ILE A 66 -2.220 7.837 -5.414 1.00 0.00 O ATOM 1010 CB ILE A 66 -3.204 6.371 -3.038 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -3.401 5.223 -2.041 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -4.327 7.388 -2.909 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -3.322 3.847 -2.671 1.00 0.00 C ATOM 0 H ILE A 66 -1.381 4.868 -3.844 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.016 5.213 -4.659 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.262 6.869 -2.809 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.645 5.299 -1.260 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.371 5.336 -1.558 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.363 7.763 -1.886 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.147 8.217 -3.593 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.277 6.914 -3.155 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.471 3.087 -1.904 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.096 3.751 -3.433 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.342 3.713 -3.130 1.00 0.00 H new ATOM 1025 N LYS A 67 -4.091 7.021 -6.361 1.00 0.00 N ATOM 1026 CA LYS A 67 -4.169 8.077 -7.366 1.00 0.00 C ATOM 1027 C LYS A 67 -4.903 9.299 -6.826 1.00 0.00 C ATOM 1028 O LYS A 67 -5.934 9.173 -6.170 1.00 0.00 O ATOM 1029 CB LYS A 67 -4.872 7.561 -8.622 1.00 0.00 C ATOM 1030 CG LYS A 67 -4.260 6.288 -9.183 1.00 0.00 C ATOM 1031 CD LYS A 67 -5.215 5.580 -10.130 1.00 0.00 C ATOM 1032 CE LYS A 67 -4.566 4.363 -10.770 1.00 0.00 C ATOM 1033 NZ LYS A 67 -5.177 4.037 -12.088 1.00 0.00 N ATOM 0 H LYS A 67 -4.838 6.329 -6.415 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.151 8.374 -7.620 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.922 7.379 -8.392 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.844 8.336 -9.388 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.336 6.529 -9.709 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.995 5.619 -8.364 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.108 5.273 -9.585 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.538 6.272 -10.907 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.499 4.546 -10.900 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.663 3.507 -10.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.707 3.202 -12.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.190 3.837 -11.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.062 4.844 -12.733 1.00 0.00 H new ATOM 1047 N GLU A 68 -4.366 10.480 -7.121 1.00 0.00 N ATOM 1048 CA GLU A 68 -4.965 11.733 -6.681 1.00 0.00 C ATOM 1049 C GLU A 68 -5.806 12.336 -7.798 1.00 0.00 C ATOM 1050 O GLU A 68 -5.619 12.011 -8.969 1.00 0.00 O ATOM 1051 CB GLU A 68 -3.880 12.723 -6.250 1.00 0.00 C ATOM 1052 CG GLU A 68 -2.578 12.059 -5.839 1.00 0.00 C ATOM 1053 CD GLU A 68 -1.443 13.050 -5.682 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -1.373 14.006 -6.483 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -0.623 12.874 -4.756 1.00 0.00 O ATOM 0 H GLU A 68 -3.512 10.594 -7.667 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.609 11.526 -5.826 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.683 13.413 -7.071 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.253 13.318 -5.416 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.726 11.529 -4.898 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.304 11.313 -6.585 1.00 0.00 H new ATOM 1062 N THR A 69 -6.742 13.205 -7.434 1.00 0.00 N ATOM 1063 CA THR A 69 -7.613 13.826 -8.426 1.00 0.00 C ATOM 1064 C THR A 69 -7.720 15.338 -8.221 1.00 0.00 C ATOM 1065 O THR A 69 -6.803 15.969 -7.698 1.00 0.00 O ATOM 1066 CB THR A 69 -8.996 13.180 -8.360 1.00 0.00 C ATOM 1067 OG1 THR A 69 -10.021 14.146 -8.497 1.00 0.00 O ATOM 1068 CG2 THR A 69 -9.232 12.440 -7.065 1.00 0.00 C ATOM 0 H THR A 69 -6.917 13.493 -6.471 1.00 0.00 H new ATOM 0 HA THR A 69 -7.178 13.665 -9.412 1.00 0.00 H new ATOM 0 HB THR A 69 -9.024 12.471 -9.187 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.895 13.704 -8.453 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.230 12.001 -7.073 1.00 0.00 H new ATOM 0 HG22 THR A 69 -8.489 11.650 -6.957 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.148 13.134 -6.229 1.00 0.00 H new ATOM 1149 N ARG A 75 -9.818 13.116 -3.380 1.00 0.00 N ATOM 1150 CA ARG A 75 -8.472 13.428 -3.844 1.00 0.00 C ATOM 1151 C ARG A 75 -7.747 12.192 -4.376 1.00 0.00 C ATOM 1152 O ARG A 75 -7.355 12.150 -5.542 1.00 0.00 O ATOM 1153 CB ARG A 75 -7.656 14.053 -2.706 1.00 0.00 C ATOM 1154 CG ARG A 75 -6.254 14.493 -3.107 1.00 0.00 C ATOM 1155 CD ARG A 75 -6.017 14.328 -4.591 1.00 0.00 C ATOM 1156 NE ARG A 75 -7.034 15.019 -5.359 1.00 0.00 N ATOM 1157 CZ ARG A 75 -7.094 16.342 -5.455 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -6.198 17.096 -4.834 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -8.047 16.910 -6.168 1.00 0.00 N ATOM 0 HA ARG A 75 -8.568 14.138 -4.666 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -8.198 14.916 -2.318 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -7.579 13.332 -1.892 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -6.107 15.537 -2.829 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.518 13.909 -2.554 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.033 14.717 -4.851 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.019 13.269 -4.848 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.736 14.463 -5.848 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.460 16.660 -4.281 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.246 18.112 -4.909 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.739 16.333 -6.646 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.092 17.926 -6.241 1.00 0.00 H new ATOM 1173 N TYR A 76 -7.541 11.203 -3.512 1.00 0.00 N ATOM 1174 CA TYR A 76 -6.827 9.993 -3.900 1.00 0.00 C ATOM 1175 C TYR A 76 -7.769 8.840 -4.189 1.00 0.00 C ATOM 1176 O TYR A 76 -8.901 8.804 -3.708 1.00 0.00 O ATOM 1177 CB TYR A 76 -5.844 9.573 -2.809 1.00 0.00 C ATOM 1178 CG TYR A 76 -5.731 10.552 -1.673 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -5.920 11.906 -1.881 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -5.440 10.115 -0.392 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -5.822 12.807 -0.844 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -5.338 11.005 0.658 1.00 0.00 C ATOM 1183 CZ TYR A 76 -5.530 12.354 0.427 1.00 0.00 C ATOM 1184 OH TYR A 76 -5.432 13.248 1.468 1.00 0.00 O ATOM 0 H TYR A 76 -7.857 11.216 -2.542 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.285 10.231 -4.816 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.151 8.606 -2.411 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.859 9.436 -3.256 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -6.149 12.263 -2.874 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -5.290 9.061 -0.211 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -5.973 13.861 -1.024 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -5.110 10.650 1.652 1.00 0.00 H new ATOM 0 HH TYR A 76 -6.319 13.609 1.673 1.00 0.00 H new ATOM 1194 N TYR A 77 -7.281 7.891 -4.977 1.00 0.00 N ATOM 1195 CA TYR A 77 -8.065 6.721 -5.338 1.00 0.00 C ATOM 1196 C TYR A 77 -7.191 5.556 -5.768 1.00 0.00 C ATOM 1197 O TYR A 77 -6.192 5.736 -6.469 1.00 0.00 O ATOM 1198 CB TYR A 77 -9.016 7.050 -6.485 1.00 0.00 C ATOM 1199 CG TYR A 77 -8.319 7.623 -7.698 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -7.770 8.899 -7.660 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -8.208 6.892 -8.883 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -7.132 9.434 -8.763 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -7.569 7.425 -9.987 1.00 0.00 C ATOM 1204 CZ TYR A 77 -7.033 8.693 -9.922 1.00 0.00 C ATOM 1205 OH TYR A 77 -6.398 9.224 -11.021 1.00 0.00 O ATOM 0 H TYR A 77 -6.343 7.910 -5.378 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.622 6.434 -4.446 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.550 6.145 -6.776 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -9.763 7.762 -6.135 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.843 9.482 -6.754 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.627 5.898 -8.937 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.713 10.428 -8.718 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.490 6.850 -10.898 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.414 8.574 -11.754 1.00 0.00 H new ATOM 1215 N VAL A 78 -7.616 4.354 -5.408 1.00 0.00 N ATOM 1216 CA VAL A 78 -6.922 3.151 -5.825 1.00 0.00 C ATOM 1217 C VAL A 78 -7.875 2.363 -6.707 1.00 0.00 C ATOM 1218 O VAL A 78 -8.147 1.185 -6.479 1.00 0.00 O ATOM 1219 CB VAL A 78 -6.485 2.282 -4.631 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -5.883 3.142 -3.533 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -7.661 1.477 -4.104 1.00 0.00 C ATOM 0 H VAL A 78 -8.439 4.189 -4.828 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.013 3.431 -6.358 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.719 1.586 -4.972 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.581 2.508 -2.699 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.012 3.671 -3.921 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.623 3.865 -3.190 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.336 0.868 -3.260 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.450 2.155 -3.779 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.042 0.829 -4.894 1.00 0.00 H new ATOM 1231 N ALA A 79 -8.382 3.061 -7.716 1.00 0.00 N ATOM 1232 CA ALA A 79 -9.323 2.506 -8.671 1.00 0.00 C ATOM 1233 C ALA A 79 -9.772 3.600 -9.633 1.00 0.00 C ATOM 1234 O ALA A 79 -9.626 4.783 -9.339 1.00 0.00 O ATOM 1235 CB ALA A 79 -10.514 1.895 -7.952 1.00 0.00 C ATOM 0 H ALA A 79 -8.147 4.038 -7.893 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.835 1.714 -9.239 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.209 1.484 -8.684 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.171 1.099 -7.291 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.018 2.663 -7.365 1.00 0.00 H new ATOM 1241 N GLU A 80 -10.314 3.216 -10.774 1.00 0.00 N ATOM 1242 CA GLU A 80 -10.768 4.192 -11.755 1.00 0.00 C ATOM 1243 C GLU A 80 -12.253 4.489 -11.605 1.00 0.00 C ATOM 1244 O GLU A 80 -13.047 4.255 -12.515 1.00 0.00 O ATOM 1245 CB GLU A 80 -10.456 3.714 -13.171 1.00 0.00 C ATOM 1246 CG GLU A 80 -9.734 2.378 -13.214 1.00 0.00 C ATOM 1247 CD GLU A 80 -9.077 2.114 -14.555 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -9.701 2.421 -15.592 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -7.940 1.598 -14.568 1.00 0.00 O ATOM 0 H GLU A 80 -10.451 2.243 -11.046 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.227 5.120 -11.572 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.387 3.633 -13.732 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.845 4.464 -13.673 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.976 2.353 -12.431 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.443 1.579 -12.997 1.00 0.00 H new ATOM 1256 N LYS A 81 -12.603 5.023 -10.448 1.00 0.00 N ATOM 1257 CA LYS A 81 -13.980 5.388 -10.140 1.00 0.00 C ATOM 1258 C LYS A 81 -14.139 5.605 -8.640 1.00 0.00 C ATOM 1259 O LYS A 81 -15.061 6.287 -8.192 1.00 0.00 O ATOM 1260 CB LYS A 81 -14.954 4.322 -10.639 1.00 0.00 C ATOM 1261 CG LYS A 81 -16.330 4.413 -10.000 1.00 0.00 C ATOM 1262 CD LYS A 81 -16.326 3.828 -8.599 1.00 0.00 C ATOM 1263 CE LYS A 81 -15.542 2.533 -8.550 1.00 0.00 C ATOM 1264 NZ LYS A 81 -16.289 1.406 -9.175 1.00 0.00 N ATOM 0 H LYS A 81 -11.944 5.217 -9.694 1.00 0.00 H new ATOM 0 HA LYS A 81 -14.214 6.319 -10.656 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.057 4.413 -11.720 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -14.534 3.336 -10.441 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -16.647 5.455 -9.961 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -17.056 3.882 -10.616 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.892 4.546 -7.903 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -17.351 3.649 -8.274 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.590 2.666 -9.063 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.314 2.286 -7.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -15.971 0.507 -8.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -17.307 1.526 -9.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -16.111 1.397 -10.200 1.00 0.00 H new ATOM 1278 N TYR A 82 -13.210 5.042 -7.872 1.00 0.00 N ATOM 1279 CA TYR A 82 -13.215 5.193 -6.422 1.00 0.00 C ATOM 1280 C TYR A 82 -12.204 6.261 -6.021 1.00 0.00 C ATOM 1281 O TYR A 82 -11.036 5.957 -5.783 1.00 0.00 O ATOM 1282 CB TYR A 82 -12.859 3.875 -5.722 1.00 0.00 C ATOM 1283 CG TYR A 82 -13.390 2.626 -6.396 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -13.011 2.288 -7.690 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -14.254 1.771 -5.723 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -13.477 1.134 -8.292 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -14.730 0.619 -6.321 1.00 0.00 C ATOM 1288 CZ TYR A 82 -14.337 0.305 -7.603 1.00 0.00 C ATOM 1289 OH TYR A 82 -14.805 -0.844 -8.200 1.00 0.00 O ATOM 0 H TYR A 82 -12.442 4.475 -8.232 1.00 0.00 H new ATOM 0 HA TYR A 82 -14.219 5.486 -6.114 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -11.774 3.799 -5.654 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -13.241 3.909 -4.702 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -12.341 2.938 -8.234 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -14.559 2.011 -4.715 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -13.169 0.883 -9.296 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -15.406 -0.031 -5.786 1.00 0.00 H new ATOM 0 HH TYR A 82 -14.840 -1.566 -7.538 1.00 0.00 H new ATOM 1299 N VAL A 83 -12.647 7.510 -5.954 1.00 0.00 N ATOM 1300 CA VAL A 83 -11.769 8.603 -5.596 1.00 0.00 C ATOM 1301 C VAL A 83 -12.120 9.147 -4.225 1.00 0.00 C ATOM 1302 O VAL A 83 -13.289 9.360 -3.905 1.00 0.00 O ATOM 1303 CB VAL A 83 -11.826 9.734 -6.637 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -10.422 10.114 -7.079 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -12.672 9.317 -7.831 1.00 0.00 C ATOM 0 H VAL A 83 -13.611 7.786 -6.144 1.00 0.00 H new ATOM 0 HA VAL A 83 -10.753 8.210 -5.573 1.00 0.00 H new ATOM 0 HB VAL A 83 -12.291 10.607 -6.179 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -10.477 10.915 -7.816 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -9.848 10.453 -6.216 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -9.933 9.247 -7.522 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -12.701 10.129 -8.557 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -12.236 8.432 -8.294 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -13.685 9.091 -7.498 1.00 0.00 H new ATOM 1315 N PHE A 84 -11.096 9.358 -3.417 1.00 0.00 N ATOM 1316 CA PHE A 84 -11.286 9.868 -2.069 1.00 0.00 C ATOM 1317 C PHE A 84 -10.106 10.739 -1.645 1.00 0.00 C ATOM 1318 O PHE A 84 -8.961 10.459 -2.000 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.468 8.708 -1.095 1.00 0.00 C ATOM 1320 CG PHE A 84 -12.162 7.522 -1.702 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -11.485 6.670 -2.560 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -13.491 7.260 -1.413 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -12.122 5.579 -3.119 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -14.134 6.171 -1.969 1.00 0.00 C ATOM 1325 CZ PHE A 84 -13.448 5.328 -2.823 1.00 0.00 C ATOM 0 H PHE A 84 -10.123 9.184 -3.670 1.00 0.00 H new ATOM 0 HA PHE A 84 -12.183 10.487 -2.056 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.491 8.398 -0.725 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.040 9.053 -0.234 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -10.448 6.861 -2.794 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -14.031 7.915 -0.745 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -11.584 4.923 -3.787 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -15.171 5.979 -1.737 1.00 0.00 H new ATOM 0 HZ PHE A 84 -13.947 4.475 -3.258 1.00 0.00 H new ATOM 1335 N ASP A 85 -10.384 11.796 -0.887 1.00 0.00 N ATOM 1336 CA ASP A 85 -9.335 12.695 -0.427 1.00 0.00 C ATOM 1337 C ASP A 85 -8.622 12.141 0.800 1.00 0.00 C ATOM 1338 O ASP A 85 -7.951 12.874 1.526 1.00 0.00 O ATOM 1339 CB ASP A 85 -9.908 14.080 -0.123 1.00 0.00 C ATOM 1340 CG ASP A 85 -8.834 15.083 0.248 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -7.650 14.689 0.310 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -9.176 16.262 0.477 1.00 0.00 O ATOM 0 H ASP A 85 -11.323 12.049 -0.580 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.603 12.783 -1.230 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.454 14.443 -0.994 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.625 14.002 0.694 1.00 0.00 H new ATOM 1347 N SER A 86 -8.770 10.847 1.020 1.00 0.00 N ATOM 1348 CA SER A 86 -8.145 10.184 2.148 1.00 0.00 C ATOM 1349 C SER A 86 -7.727 8.776 1.758 1.00 0.00 C ATOM 1350 O SER A 86 -8.567 7.925 1.476 1.00 0.00 O ATOM 1351 CB SER A 86 -9.099 10.142 3.343 1.00 0.00 C ATOM 1352 OG SER A 86 -8.802 11.171 4.271 1.00 0.00 O ATOM 0 H SER A 86 -9.323 10.230 0.425 1.00 0.00 H new ATOM 0 HA SER A 86 -7.258 10.749 2.436 1.00 0.00 H new ATOM 0 HB2 SER A 86 -10.127 10.247 2.995 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.027 9.172 3.836 1.00 0.00 H new ATOM 0 HG SER A 86 -9.427 11.123 5.024 1.00 0.00 H new ATOM 1358 N ILE A 87 -6.432 8.524 1.742 1.00 0.00 N ATOM 1359 CA ILE A 87 -5.955 7.206 1.386 1.00 0.00 C ATOM 1360 C ILE A 87 -6.563 6.188 2.339 1.00 0.00 C ATOM 1361 O ILE A 87 -6.999 5.111 1.934 1.00 0.00 O ATOM 1362 CB ILE A 87 -4.420 7.124 1.432 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -3.822 7.520 0.081 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -3.983 5.728 1.814 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -3.158 8.879 0.088 1.00 0.00 C ATOM 0 H ILE A 87 -5.704 9.202 1.967 1.00 0.00 H new ATOM 0 HA ILE A 87 -6.260 6.992 0.362 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.057 7.822 2.186 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -3.091 6.769 -0.217 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -4.610 7.514 -0.672 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -2.894 5.683 1.843 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.383 5.478 2.797 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.356 5.016 1.078 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.757 9.093 -0.903 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -3.891 9.641 0.355 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.347 8.884 0.817 1.00 0.00 H new ATOM 1377 N PRO A 88 -6.633 6.543 3.628 1.00 0.00 N ATOM 1378 CA PRO A 88 -7.225 5.683 4.650 1.00 0.00 C ATOM 1379 C PRO A 88 -8.712 5.486 4.400 1.00 0.00 C ATOM 1380 O PRO A 88 -9.207 4.359 4.411 1.00 0.00 O ATOM 1381 CB PRO A 88 -6.985 6.443 5.958 1.00 0.00 C ATOM 1382 CG PRO A 88 -5.958 7.478 5.627 1.00 0.00 C ATOM 1383 CD PRO A 88 -6.172 7.818 4.184 1.00 0.00 C ATOM 0 HA PRO A 88 -6.790 4.684 4.660 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.904 6.902 6.321 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.632 5.774 6.743 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -6.074 8.359 6.258 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -4.951 7.097 5.794 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.912 8.608 4.058 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -5.254 8.162 3.707 1.00 0.00 H new ATOM 1391 N LEU A 89 -9.416 6.584 4.123 1.00 0.00 N ATOM 1392 CA LEU A 89 -10.833 6.492 3.813 1.00 0.00 C ATOM 1393 C LEU A 89 -10.958 5.712 2.527 1.00 0.00 C ATOM 1394 O LEU A 89 -11.787 4.810 2.391 1.00 0.00 O ATOM 1395 CB LEU A 89 -11.464 7.881 3.678 1.00 0.00 C ATOM 1396 CG LEU A 89 -11.935 8.264 2.274 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -10.745 8.598 1.396 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -12.766 7.149 1.653 1.00 0.00 C ATOM 0 H LEU A 89 -9.032 7.529 4.108 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.366 5.989 4.620 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.316 7.940 4.355 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.739 8.623 4.013 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.569 9.147 2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.093 8.869 0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.197 9.435 1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.088 7.731 1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.088 7.448 0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.165 6.242 1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -13.641 6.958 2.274 1.00 0.00 H new ATOM 1410 N LEU A 90 -10.069 6.029 1.602 1.00 0.00 N ATOM 1411 CA LEU A 90 -10.013 5.324 0.346 1.00 0.00 C ATOM 1412 C LEU A 90 -9.764 3.863 0.681 1.00 0.00 C ATOM 1413 O LEU A 90 -10.426 2.953 0.161 1.00 0.00 O ATOM 1414 CB LEU A 90 -8.901 5.911 -0.530 1.00 0.00 C ATOM 1415 CG LEU A 90 -7.986 4.900 -1.211 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -7.470 5.466 -2.524 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -6.828 4.529 -0.300 1.00 0.00 C ATOM 0 H LEU A 90 -9.378 6.772 1.703 1.00 0.00 H new ATOM 0 HA LEU A 90 -10.939 5.421 -0.220 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.361 6.532 -1.299 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.288 6.569 0.087 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.558 3.996 -1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.817 4.736 -3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.311 5.687 -3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.911 6.382 -2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.186 3.806 -0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.251 5.423 -0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.215 4.091 0.620 1.00 0.00 H new ATOM 1429 N ILE A 91 -8.847 3.654 1.629 1.00 0.00 N ATOM 1430 CA ILE A 91 -8.559 2.319 2.109 1.00 0.00 C ATOM 1431 C ILE A 91 -9.839 1.732 2.686 1.00 0.00 C ATOM 1432 O ILE A 91 -10.218 0.604 2.376 1.00 0.00 O ATOM 1433 CB ILE A 91 -7.497 2.305 3.231 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -6.088 2.621 2.725 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -7.503 0.954 3.917 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -5.759 2.050 1.367 1.00 0.00 C ATOM 0 H ILE A 91 -8.300 4.393 2.071 1.00 0.00 H new ATOM 0 HA ILE A 91 -8.175 1.744 1.266 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.764 3.093 3.935 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.965 3.703 2.688 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.365 2.243 3.447 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.754 0.944 4.708 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -8.487 0.769 4.347 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -7.272 0.176 3.190 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.741 2.326 1.093 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -5.844 0.964 1.399 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.454 2.447 0.627 1.00 0.00 H new ATOM 1448 N GLN A 92 -10.515 2.530 3.523 1.00 0.00 N ATOM 1449 CA GLN A 92 -11.767 2.111 4.138 1.00 0.00 C ATOM 1450 C GLN A 92 -12.798 1.841 3.064 1.00 0.00 C ATOM 1451 O GLN A 92 -13.578 0.894 3.158 1.00 0.00 O ATOM 1452 CB GLN A 92 -12.265 3.168 5.128 1.00 0.00 C ATOM 1453 CG GLN A 92 -13.133 4.247 4.500 1.00 0.00 C ATOM 1454 CD GLN A 92 -13.836 5.102 5.535 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -13.385 5.214 6.676 1.00 0.00 O ATOM 1456 NE2 GLN A 92 -14.947 5.711 5.142 1.00 0.00 N ATOM 0 H GLN A 92 -10.211 3.467 3.785 1.00 0.00 H new ATOM 0 HA GLN A 92 -11.598 1.191 4.697 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -12.833 2.673 5.916 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -11.405 3.640 5.603 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -12.515 4.883 3.867 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -13.876 3.780 3.854 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -15.284 5.590 4.187 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.464 6.300 5.795 1.00 0.00 H new ATOM 1465 N TYR A 93 -12.774 2.658 2.023 1.00 0.00 N ATOM 1466 CA TYR A 93 -13.688 2.468 0.918 1.00 0.00 C ATOM 1467 C TYR A 93 -13.317 1.188 0.197 1.00 0.00 C ATOM 1468 O TYR A 93 -14.182 0.408 -0.202 1.00 0.00 O ATOM 1469 CB TYR A 93 -13.667 3.652 -0.044 1.00 0.00 C ATOM 1470 CG TYR A 93 -14.970 3.813 -0.789 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -15.184 3.165 -1.999 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -15.992 4.602 -0.276 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -16.380 3.300 -2.679 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -17.191 4.741 -0.948 1.00 0.00 C ATOM 1475 CZ TYR A 93 -17.380 4.088 -2.150 1.00 0.00 C ATOM 1476 OH TYR A 93 -18.572 4.225 -2.822 1.00 0.00 O ATOM 0 H TYR A 93 -12.138 3.449 1.924 1.00 0.00 H new ATOM 0 HA TYR A 93 -14.703 2.397 1.308 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.455 4.565 0.513 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -12.856 3.520 -0.760 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -14.403 2.546 -2.415 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -15.847 5.115 0.663 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -16.530 2.791 -3.620 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -17.976 5.357 -0.535 1.00 0.00 H new ATOM 0 HH TYR A 93 -19.169 4.813 -2.313 1.00 0.00 H new ATOM 1486 N HIS A 94 -12.014 0.963 0.067 1.00 0.00 N ATOM 1487 CA HIS A 94 -11.515 -0.249 -0.569 1.00 0.00 C ATOM 1488 C HIS A 94 -11.594 -1.414 0.412 1.00 0.00 C ATOM 1489 O HIS A 94 -10.908 -2.425 0.268 1.00 0.00 O ATOM 1490 CB HIS A 94 -10.089 -0.039 -1.073 1.00 0.00 C ATOM 1491 CG HIS A 94 -10.003 1.068 -2.068 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -10.549 1.192 -3.300 1.00 0.00 N flip ATOM 1493 CD2 HIS A 94 -9.317 2.234 -1.831 1.00 0.00 C flip ATOM 1494 CE1 HIS A 94 -10.188 2.424 -3.783 1.00 0.00 C flip ATOM 1495 NE2 HIS A 94 -9.447 3.036 -2.879 1.00 0.00 N flip ATOM 0 H HIS A 94 -11.288 1.601 0.392 1.00 0.00 H new ATOM 0 HA HIS A 94 -12.136 -0.486 -1.433 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -9.435 0.181 -0.229 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -9.725 -0.962 -1.525 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -11.122 0.498 -3.780 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -8.760 2.461 -0.934 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -10.465 2.827 -4.746 1.00 0.00 H new ATOM 1504 N GLN A 95 -12.468 -1.249 1.402 1.00 0.00 N ATOM 1505 CA GLN A 95 -12.709 -2.259 2.426 1.00 0.00 C ATOM 1506 C GLN A 95 -14.204 -2.479 2.555 1.00 0.00 C ATOM 1507 O GLN A 95 -14.682 -3.604 2.687 1.00 0.00 O ATOM 1508 CB GLN A 95 -12.156 -1.813 3.780 1.00 0.00 C ATOM 1509 CG GLN A 95 -10.646 -1.792 3.850 1.00 0.00 C ATOM 1510 CD GLN A 95 -10.131 -1.238 5.162 1.00 0.00 C ATOM 1511 OE1 GLN A 95 -9.585 -0.032 5.117 1.00 0.00 O flip ATOM 1512 NE2 GLN A 95 -10.225 -1.887 6.204 1.00 0.00 N flip ATOM 0 H GLN A 95 -13.031 -0.406 1.516 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.206 -3.180 2.131 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -12.534 -0.816 4.005 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -12.536 -2.480 4.554 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -10.266 -2.804 3.713 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -10.256 -1.191 3.028 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -10.653 -2.813 6.191 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -9.875 -1.499 7.080 1.00 0.00 H new ATOM 1521 N TYR A 96 -14.923 -1.370 2.519 1.00 0.00 N ATOM 1522 CA TYR A 96 -16.373 -1.383 2.631 1.00 0.00 C ATOM 1523 C TYR A 96 -17.022 -1.822 1.324 1.00 0.00 C ATOM 1524 O TYR A 96 -17.948 -2.632 1.312 1.00 0.00 O ATOM 1525 CB TYR A 96 -16.904 0.000 3.007 1.00 0.00 C ATOM 1526 CG TYR A 96 -16.169 0.660 4.148 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -15.541 -0.092 5.132 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -16.109 2.043 4.241 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -14.875 0.518 6.177 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -15.448 2.661 5.279 1.00 0.00 C ATOM 1531 CZ TYR A 96 -14.830 1.896 6.247 1.00 0.00 C ATOM 1532 OH TYR A 96 -14.170 2.507 7.288 1.00 0.00 O ATOM 0 H TYR A 96 -14.521 -0.439 2.412 1.00 0.00 H new ATOM 0 HA TYR A 96 -16.628 -2.096 3.415 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -16.849 0.648 2.132 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -17.958 -0.088 3.272 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -15.574 -1.170 5.079 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -16.590 2.646 3.485 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -14.392 -0.080 6.936 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -15.413 3.739 5.335 1.00 0.00 H new ATOM 0 HH TYR A 96 -14.554 3.395 7.442 1.00 0.00 H new ATOM 1542 N ASN A 97 -16.530 -1.261 0.229 1.00 0.00 N ATOM 1543 CA ASN A 97 -17.052 -1.561 -1.095 1.00 0.00 C ATOM 1544 C ASN A 97 -16.280 -2.698 -1.748 1.00 0.00 C ATOM 1545 O ASN A 97 -15.627 -3.488 -1.067 1.00 0.00 O ATOM 1546 CB ASN A 97 -16.987 -0.315 -1.981 1.00 0.00 C ATOM 1547 CG ASN A 97 -17.769 0.848 -1.402 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -17.189 1.516 -0.414 1.00 0.00 O flip ATOM 1549 ND2 ASN A 97 -18.881 1.142 -1.840 1.00 0.00 N flip ATOM 0 H ASN A 97 -15.762 -0.589 0.233 1.00 0.00 H new ATOM 0 HA ASN A 97 -18.090 -1.873 -0.983 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -15.946 -0.020 -2.112 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -17.377 -0.555 -2.970 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -19.289 0.600 -2.602 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -19.395 1.928 -1.441 1.00 0.00 H new ATOM 1556 N GLY A 98 -16.363 -2.775 -3.071 1.00 0.00 N ATOM 1557 CA GLY A 98 -15.670 -3.821 -3.803 1.00 0.00 C ATOM 1558 C GLY A 98 -14.676 -3.265 -4.804 1.00 0.00 C ATOM 1559 O GLY A 98 -14.858 -3.409 -6.014 1.00 0.00 O ATOM 0 H GLY A 98 -16.899 -2.130 -3.652 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -15.148 -4.469 -3.099 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -16.400 -4.440 -4.325 1.00 0.00 H new ATOM 1563 N GLY A 99 -13.625 -2.628 -4.302 1.00 0.00 N ATOM 1564 CA GLY A 99 -12.613 -2.057 -5.173 1.00 0.00 C ATOM 1565 C GLY A 99 -12.195 -3.008 -6.279 1.00 0.00 C ATOM 1566 O GLY A 99 -12.793 -4.069 -6.452 1.00 0.00 O ATOM 0 H GLY A 99 -13.455 -2.496 -3.305 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.995 -1.137 -5.615 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -11.739 -1.787 -4.581 1.00 0.00 H new ATOM 1570 N GLY A 100 -11.167 -2.624 -7.028 1.00 0.00 N ATOM 1571 CA GLY A 100 -10.687 -3.460 -8.114 1.00 0.00 C ATOM 1572 C GLY A 100 -9.372 -4.140 -7.785 1.00 0.00 C ATOM 1573 O GLY A 100 -8.768 -4.784 -8.643 1.00 0.00 O ATOM 0 H GLY A 100 -10.657 -1.749 -6.903 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.436 -4.217 -8.344 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.564 -2.851 -9.010 1.00 0.00 H new ATOM 1577 N LEU A 101 -8.931 -3.997 -6.540 1.00 0.00 N ATOM 1578 CA LEU A 101 -7.682 -4.603 -6.096 1.00 0.00 C ATOM 1579 C LEU A 101 -7.954 -5.757 -5.139 1.00 0.00 C ATOM 1580 O LEU A 101 -9.085 -5.951 -4.696 1.00 0.00 O ATOM 1581 CB LEU A 101 -6.801 -3.558 -5.409 1.00 0.00 C ATOM 1582 CG LEU A 101 -7.463 -2.198 -5.177 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -7.713 -1.968 -3.694 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -6.602 -1.086 -5.758 1.00 0.00 C ATOM 0 H LEU A 101 -9.421 -3.466 -5.820 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.161 -4.990 -6.972 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -6.477 -3.955 -4.447 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.904 -3.410 -6.011 1.00 0.00 H new ATOM 0 HG LEU A 101 -8.426 -2.190 -5.687 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -8.184 -0.996 -3.551 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -8.369 -2.749 -3.310 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -6.765 -1.994 -3.157 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -7.085 -0.124 -5.586 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -5.625 -1.093 -5.276 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -6.479 -1.243 -6.830 1.00 0.00 H new ATOM 1596 N VAL A 102 -6.912 -6.519 -4.819 1.00 0.00 N ATOM 1597 CA VAL A 102 -7.055 -7.645 -3.907 1.00 0.00 C ATOM 1598 C VAL A 102 -8.229 -7.414 -2.965 1.00 0.00 C ATOM 1599 O VAL A 102 -8.062 -6.896 -1.861 1.00 0.00 O ATOM 1600 CB VAL A 102 -5.774 -7.873 -3.085 1.00 0.00 C ATOM 1601 CG1 VAL A 102 -6.098 -8.095 -1.615 1.00 0.00 C ATOM 1602 CG2 VAL A 102 -4.983 -9.046 -3.645 1.00 0.00 C ATOM 0 H VAL A 102 -5.967 -6.377 -5.176 1.00 0.00 H new ATOM 0 HA VAL A 102 -7.238 -8.535 -4.510 1.00 0.00 H new ATOM 0 HB VAL A 102 -5.160 -6.975 -3.160 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -5.174 -8.253 -1.059 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.614 -7.220 -1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -6.738 -8.971 -1.512 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -4.081 -9.193 -3.052 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -5.593 -9.948 -3.606 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -4.708 -8.839 -4.679 1.00 0.00 H new ATOM 1612 N THR A 103 -9.424 -7.779 -3.416 1.00 0.00 N ATOM 1613 CA THR A 103 -10.623 -7.587 -2.614 1.00 0.00 C ATOM 1614 C THR A 103 -10.561 -6.246 -1.895 1.00 0.00 C ATOM 1615 O THR A 103 -11.013 -6.115 -0.758 1.00 0.00 O ATOM 1616 CB THR A 103 -10.780 -8.723 -1.603 1.00 0.00 C ATOM 1617 OG1 THR A 103 -11.485 -8.280 -0.456 1.00 0.00 O ATOM 1618 CG2 THR A 103 -9.457 -9.295 -1.135 1.00 0.00 C ATOM 0 H THR A 103 -9.586 -8.207 -4.328 1.00 0.00 H new ATOM 0 HA THR A 103 -11.489 -7.593 -3.276 1.00 0.00 H new ATOM 0 HB THR A 103 -11.330 -9.503 -2.129 1.00 0.00 H new ATOM 0 HG1 THR A 103 -11.041 -7.490 -0.084 1.00 0.00 H new ATOM 0 HG21 THR A 103 -9.640 -10.097 -0.419 1.00 0.00 H new ATOM 0 HG22 THR A 103 -8.909 -9.690 -1.990 1.00 0.00 H new ATOM 0 HG23 THR A 103 -8.870 -8.510 -0.658 1.00 0.00 H new ATOM 1626 N ARG A 104 -9.988 -5.254 -2.571 1.00 0.00 N ATOM 1627 CA ARG A 104 -9.852 -3.916 -2.007 1.00 0.00 C ATOM 1628 C ARG A 104 -9.285 -3.980 -0.596 1.00 0.00 C ATOM 1629 O ARG A 104 -9.340 -5.022 0.058 1.00 0.00 O ATOM 1630 CB ARG A 104 -11.205 -3.204 -1.992 1.00 0.00 C ATOM 1631 CG ARG A 104 -12.202 -3.812 -1.019 1.00 0.00 C ATOM 1632 CD ARG A 104 -13.174 -4.741 -1.723 1.00 0.00 C ATOM 1633 NE ARG A 104 -13.265 -6.041 -1.065 1.00 0.00 N ATOM 1634 CZ ARG A 104 -14.414 -6.657 -0.802 1.00 0.00 C ATOM 1635 NH1 ARG A 104 -15.566 -6.091 -1.137 1.00 0.00 N ATOM 1636 NH2 ARG A 104 -14.413 -7.839 -0.203 1.00 0.00 N ATOM 0 H ARG A 104 -9.610 -5.353 -3.513 1.00 0.00 H new ATOM 0 HA ARG A 104 -9.161 -3.353 -2.634 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -11.052 -2.156 -1.735 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -11.629 -3.227 -2.996 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -11.667 -4.363 -0.245 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -12.755 -3.017 -0.519 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -14.161 -4.279 -1.751 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -12.858 -4.880 -2.757 1.00 0.00 H new ATOM 0 HE ARG A 104 -12.398 -6.503 -0.791 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -15.572 -5.181 -1.598 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -16.446 -6.566 -0.934 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -13.530 -8.278 0.057 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -15.295 -8.310 -0.002 1.00 0.00 H new ATOM 1650 N LEU A 105 -8.747 -2.861 -0.120 1.00 0.00 N ATOM 1651 CA LEU A 105 -8.185 -2.807 1.221 1.00 0.00 C ATOM 1652 C LEU A 105 -9.023 -3.657 2.167 1.00 0.00 C ATOM 1653 O LEU A 105 -10.243 -3.504 2.230 1.00 0.00 O ATOM 1654 CB LEU A 105 -8.137 -1.365 1.725 1.00 0.00 C ATOM 1655 CG LEU A 105 -6.917 -0.548 1.290 1.00 0.00 C ATOM 1656 CD1 LEU A 105 -5.643 -1.092 1.917 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -6.802 -0.526 -0.225 1.00 0.00 C ATOM 0 H LEU A 105 -8.689 -1.986 -0.641 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.168 -3.198 1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -9.036 -0.851 1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -8.172 -1.379 2.814 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.053 0.475 1.641 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.793 -0.493 1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.724 -1.047 3.003 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.498 -2.127 1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.929 0.059 -0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.695 -1.545 -0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.699 -0.076 -0.651 1.00 0.00 H new ATOM 1669 N ARG A 106 -8.373 -4.559 2.891 1.00 0.00 N ATOM 1670 CA ARG A 106 -9.068 -5.428 3.821 1.00 0.00 C ATOM 1671 C ARG A 106 -8.499 -5.301 5.230 1.00 0.00 C ATOM 1672 O ARG A 106 -9.192 -4.886 6.161 1.00 0.00 O ATOM 1673 CB ARG A 106 -8.983 -6.882 3.355 1.00 0.00 C ATOM 1674 CG ARG A 106 -9.906 -7.203 2.191 1.00 0.00 C ATOM 1675 CD ARG A 106 -9.961 -8.698 1.921 1.00 0.00 C ATOM 1676 NE ARG A 106 -10.981 -9.364 2.726 1.00 0.00 N ATOM 1677 CZ ARG A 106 -12.270 -9.039 2.696 1.00 0.00 C ATOM 1678 NH1 ARG A 106 -12.693 -8.065 1.901 1.00 0.00 N ATOM 1679 NH2 ARG A 106 -13.138 -9.691 3.458 1.00 0.00 N ATOM 0 H ARG A 106 -7.364 -4.705 2.849 1.00 0.00 H new ATOM 0 HA ARG A 106 -10.113 -5.119 3.846 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -7.956 -7.102 3.065 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -9.225 -7.538 4.191 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -10.909 -6.834 2.407 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -9.561 -6.683 1.297 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -10.166 -8.868 0.864 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -8.987 -9.140 2.132 1.00 0.00 H new ATOM 0 HE ARG A 106 -10.689 -10.120 3.345 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -12.029 -7.564 1.311 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -13.682 -7.817 1.880 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -12.817 -10.443 4.068 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -14.126 -9.441 3.434 1.00 0.00 H new ATOM 1693 N TYR A 107 -7.236 -5.681 5.380 1.00 0.00 N ATOM 1694 CA TYR A 107 -6.562 -5.638 6.675 1.00 0.00 C ATOM 1695 C TYR A 107 -5.240 -4.875 6.608 1.00 0.00 C ATOM 1696 O TYR A 107 -4.417 -5.105 5.720 1.00 0.00 O ATOM 1697 CB TYR A 107 -6.295 -7.061 7.161 1.00 0.00 C ATOM 1698 CG TYR A 107 -5.864 -7.138 8.607 1.00 0.00 C ATOM 1699 CD1 TYR A 107 -6.590 -6.498 9.604 1.00 0.00 C ATOM 1700 CD2 TYR A 107 -4.730 -7.851 8.977 1.00 0.00 C ATOM 1701 CE1 TYR A 107 -6.198 -6.566 10.928 1.00 0.00 C ATOM 1702 CE2 TYR A 107 -4.331 -7.924 10.298 1.00 0.00 C ATOM 1703 CZ TYR A 107 -5.068 -7.280 11.269 1.00 0.00 C ATOM 1704 OH TYR A 107 -4.674 -7.350 12.586 1.00 0.00 O ATOM 0 H TYR A 107 -6.653 -6.025 4.617 1.00 0.00 H new ATOM 0 HA TYR A 107 -7.218 -5.114 7.370 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -7.198 -7.656 7.028 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -5.523 -7.510 6.536 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -7.475 -5.938 9.340 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -4.150 -8.357 8.219 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -6.773 -6.063 11.691 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -3.447 -8.482 10.568 1.00 0.00 H new ATOM 0 HH TYR A 107 -3.860 -7.892 12.656 1.00 0.00 H new ATOM 1714 N PRO A 108 -5.011 -3.965 7.564 1.00 0.00 N ATOM 1715 CA PRO A 108 -3.781 -3.180 7.634 1.00 0.00 C ATOM 1716 C PRO A 108 -2.614 -4.009 8.160 1.00 0.00 C ATOM 1717 O PRO A 108 -2.766 -4.765 9.120 1.00 0.00 O ATOM 1718 CB PRO A 108 -4.115 -2.055 8.622 1.00 0.00 C ATOM 1719 CG PRO A 108 -5.569 -2.196 8.935 1.00 0.00 C ATOM 1720 CD PRO A 108 -5.921 -3.630 8.661 1.00 0.00 C ATOM 0 HA PRO A 108 -3.474 -2.818 6.653 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -3.512 -2.139 9.526 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -3.903 -1.078 8.187 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.770 -1.938 9.975 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -6.167 -1.524 8.319 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -5.759 -4.263 9.533 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -6.966 -3.745 8.373 1.00 0.00 H new ATOM 1728 N VAL A 109 -1.456 -3.874 7.526 1.00 0.00 N ATOM 1729 CA VAL A 109 -0.279 -4.622 7.937 1.00 0.00 C ATOM 1730 C VAL A 109 0.633 -3.800 8.840 1.00 0.00 C ATOM 1731 O VAL A 109 1.370 -4.352 9.657 1.00 0.00 O ATOM 1732 CB VAL A 109 0.533 -5.107 6.724 1.00 0.00 C ATOM 1733 CG1 VAL A 109 1.739 -5.910 7.186 1.00 0.00 C ATOM 1734 CG2 VAL A 109 -0.340 -5.931 5.790 1.00 0.00 C ATOM 0 H VAL A 109 -1.309 -3.255 6.728 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.648 -5.483 8.495 1.00 0.00 H new ATOM 0 HB VAL A 109 0.889 -4.237 6.172 1.00 0.00 H new ATOM 0 HG11 VAL A 109 2.305 -6.248 6.318 1.00 0.00 H new ATOM 0 HG12 VAL A 109 2.374 -5.284 7.813 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.403 -6.774 7.759 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.253 -6.265 4.938 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.727 -6.798 6.325 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.172 -5.321 5.437 1.00 0.00 H new ATOM 1744 N CYS A 110 0.583 -2.483 8.685 1.00 0.00 N ATOM 1745 CA CYS A 110 1.411 -1.585 9.485 1.00 0.00 C ATOM 1746 C CYS A 110 2.290 -2.369 10.448 1.00 0.00 C ATOM 1747 O CYS A 110 2.072 -2.360 11.659 1.00 0.00 O ATOM 1748 CB CYS A 110 0.542 -0.602 10.257 1.00 0.00 C ATOM 1749 SG CYS A 110 1.307 0.043 11.764 1.00 0.00 S ATOM 0 H CYS A 110 -0.022 -2.011 8.013 1.00 0.00 H new ATOM 0 HA CYS A 110 2.055 -1.028 8.804 1.00 0.00 H new ATOM 0 HB2 CYS A 110 0.292 0.234 9.604 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -0.395 -1.093 10.520 1.00 0.00 H new ATOM 0 HG CYS A 110 1.789 -0.942 12.462 1.00 0.00 H new ATOM 1755 N GLY A 111 3.281 -3.048 9.895 1.00 0.00 N ATOM 1756 CA GLY A 111 4.189 -3.837 10.706 1.00 0.00 C ATOM 1757 C GLY A 111 5.589 -3.258 10.740 1.00 0.00 C ATOM 1758 O GLY A 111 5.744 -2.059 10.424 1.00 0.00 O ATOM 0 H GLY A 111 3.476 -3.068 8.894 1.00 0.00 H new ATOM 0 HA2 GLY A 111 3.801 -3.901 11.723 1.00 0.00 H new ATOM 0 HA3 GLY A 111 4.229 -4.854 10.316 1.00 0.00 H new