USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 880 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 14 TYR OH : rot 32:sc= 1.33 USER MOD Set 1.2: A 103 SER OG : rot 10:sc= 0.563 USER MOD Set 2.1: A 38 SER OG : rot -80:sc= 0.379 USER MOD Set 2.2: A 93 ASN : amide:sc= -1.18 K(o=-0.8,f=-4.1!) 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 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0228 USER MOD Single : A 10 GLN : amide:sc= -0.0229 K(o=-0.023,f=-1.2) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot -130:sc= -0.781 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc= 0.848 F(o=-0.63,f=0.85) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc=-0.00922 K(o=-0.0092,f=-2!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -1.16 K(o=-1.2,f=-4!) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 64 SER OG : rot -46:sc= -0.469 USER MOD Single : A 65 ASN :FLIP amide:sc= -1.77 F(o=-4.7!,f=-1.8) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 12:sc= -4.12! USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -2.46 K(o=-2.5,f=-3.9!) USER MOD Single : A 79 LYS NZ :NH3+ -125:sc= -0.0788 (180deg=-0.425) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -1.81! C(o=-1.8!,f=-6.3!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= -0.465 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0193 USER MOD Single : A 102 GLN :FLIP amide:sc= -0.567 F(o=-2.2!,f=-0.57) USER MOD Single : A 111 CYS SG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.556) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.814 -25.337 2.618 1.00 0.00 N ATOM 2 CA GLY A 1 -24.538 -26.006 2.790 1.00 0.00 C ATOM 3 C GLY A 1 -23.384 -25.214 2.210 1.00 0.00 C ATOM 4 O GLY A 1 -23.248 -25.103 0.992 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.570 -25.919 3.031 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.789 -24.413 3.095 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.999 -25.198 1.604 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.361 -26.175 3.852 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.578 -26.985 2.313 1.00 0.00 H new ATOM 8 N SER A 2 -22.550 -24.659 3.085 1.00 0.00 N ATOM 9 CA SER A 2 -21.405 -23.867 2.652 1.00 0.00 C ATOM 10 C SER A 2 -20.676 -24.551 1.499 1.00 0.00 C ATOM 11 O SER A 2 -20.212 -25.683 1.628 1.00 0.00 O ATOM 12 CB SER A 2 -20.441 -23.646 3.820 1.00 0.00 C ATOM 13 OG SER A 2 -19.433 -22.711 3.479 1.00 0.00 O ATOM 0 H SER A 2 -22.646 -24.744 4.097 1.00 0.00 H new ATOM 0 HA SER A 2 -21.772 -22.901 2.305 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.994 -23.289 4.689 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.982 -24.594 4.101 1.00 0.00 H new ATOM 0 HG SER A 2 -18.831 -22.586 4.242 1.00 0.00 H new ATOM 19 N SER A 3 -20.580 -23.853 0.372 1.00 0.00 N ATOM 20 CA SER A 3 -19.912 -24.392 -0.807 1.00 0.00 C ATOM 21 C SER A 3 -18.561 -23.717 -1.022 1.00 0.00 C ATOM 22 O SER A 3 -18.455 -22.732 -1.751 1.00 0.00 O ATOM 23 CB SER A 3 -20.790 -24.208 -2.046 1.00 0.00 C ATOM 24 OG SER A 3 -20.388 -25.079 -3.089 1.00 0.00 O ATOM 0 H SER A 3 -20.956 -22.913 0.250 1.00 0.00 H new ATOM 0 HA SER A 3 -19.745 -25.457 -0.644 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.832 -24.400 -1.789 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.731 -23.175 -2.388 1.00 0.00 H new ATOM 0 HG SER A 3 -20.965 -24.943 -3.869 1.00 0.00 H new ATOM 30 N GLY A 4 -17.528 -24.256 -0.380 1.00 0.00 N ATOM 31 CA GLY A 4 -16.197 -23.694 -0.513 1.00 0.00 C ATOM 32 C GLY A 4 -15.796 -22.863 0.689 1.00 0.00 C ATOM 33 O GLY A 4 -16.637 -22.219 1.316 1.00 0.00 O ATOM 0 H GLY A 4 -17.590 -25.072 0.229 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.477 -24.501 -0.649 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.155 -23.075 -1.409 1.00 0.00 H new ATOM 37 N SER A 5 -14.507 -22.878 1.013 1.00 0.00 N ATOM 38 CA SER A 5 -13.996 -22.124 2.152 1.00 0.00 C ATOM 39 C SER A 5 -13.552 -20.728 1.726 1.00 0.00 C ATOM 40 O SER A 5 -12.571 -20.572 0.999 1.00 0.00 O ATOM 41 CB SER A 5 -12.826 -22.868 2.800 1.00 0.00 C ATOM 42 OG SER A 5 -13.288 -23.851 3.710 1.00 0.00 O ATOM 0 H SER A 5 -13.797 -23.404 0.503 1.00 0.00 H new ATOM 0 HA SER A 5 -14.801 -22.023 2.879 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.219 -23.340 2.028 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.184 -22.158 3.322 1.00 0.00 H new ATOM 0 HG SER A 5 -12.522 -24.313 4.109 1.00 0.00 H new ATOM 48 N SER A 6 -14.283 -19.716 2.182 1.00 0.00 N ATOM 49 CA SER A 6 -13.969 -18.333 1.845 1.00 0.00 C ATOM 50 C SER A 6 -12.510 -18.016 2.159 1.00 0.00 C ATOM 51 O SER A 6 -12.153 -17.753 3.306 1.00 0.00 O ATOM 52 CB SER A 6 -14.886 -17.378 2.611 1.00 0.00 C ATOM 53 OG SER A 6 -15.090 -16.177 1.888 1.00 0.00 O ATOM 0 H SER A 6 -15.097 -19.828 2.786 1.00 0.00 H new ATOM 0 HA SER A 6 -14.130 -18.200 0.775 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.845 -17.861 2.798 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.449 -17.151 3.583 1.00 0.00 H new ATOM 0 HG SER A 6 -15.681 -15.584 2.398 1.00 0.00 H new ATOM 59 N GLY A 7 -11.670 -18.042 1.128 1.00 0.00 N ATOM 60 CA GLY A 7 -10.259 -17.756 1.313 1.00 0.00 C ATOM 61 C GLY A 7 -9.913 -16.316 0.990 1.00 0.00 C ATOM 62 O GLY A 7 -9.068 -16.051 0.134 1.00 0.00 O ATOM 0 H GLY A 7 -11.942 -18.256 0.168 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.980 -17.971 2.344 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.671 -18.419 0.679 1.00 0.00 H new ATOM 66 N LEU A 8 -10.566 -15.384 1.674 1.00 0.00 N ATOM 67 CA LEU A 8 -10.324 -13.963 1.454 1.00 0.00 C ATOM 68 C LEU A 8 -9.323 -13.418 2.468 1.00 0.00 C ATOM 69 O LEU A 8 -9.305 -13.814 3.634 1.00 0.00 O ATOM 70 CB LEU A 8 -11.636 -13.181 1.546 1.00 0.00 C ATOM 71 CG LEU A 8 -12.672 -13.481 0.462 1.00 0.00 C ATOM 72 CD1 LEU A 8 -14.074 -13.174 0.965 1.00 0.00 C ATOM 73 CD2 LEU A 8 -12.370 -12.685 -0.799 1.00 0.00 C ATOM 0 H LEU A 8 -11.268 -15.587 2.386 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.905 -13.842 0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -12.088 -13.381 2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.404 -12.116 1.515 1.00 0.00 H new ATOM 0 HG LEU A 8 -12.619 -14.542 0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.798 -13.393 0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -14.289 -13.788 1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -14.141 -12.120 1.236 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -13.117 -12.911 -1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -12.395 -11.619 -0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -11.381 -12.954 -1.171 1.00 0.00 H new ATOM 85 N PRO A 9 -8.471 -12.486 2.017 1.00 0.00 N ATOM 86 CA PRO A 9 -7.453 -11.865 2.869 1.00 0.00 C ATOM 87 C PRO A 9 -8.061 -10.940 3.918 1.00 0.00 C ATOM 88 O PRO A 9 -9.196 -10.487 3.775 1.00 0.00 O ATOM 89 CB PRO A 9 -6.602 -11.064 1.880 1.00 0.00 C ATOM 90 CG PRO A 9 -7.515 -10.781 0.737 1.00 0.00 C ATOM 91 CD PRO A 9 -8.435 -11.967 0.639 1.00 0.00 C ATOM 0 HA PRO A 9 -6.889 -12.606 3.435 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.234 -10.142 2.330 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.729 -11.632 1.558 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.078 -9.863 0.905 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -6.953 -10.645 -0.187 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.427 -11.678 0.292 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.057 -12.712 -0.061 1.00 0.00 H new ATOM 99 N GLN A 10 -7.298 -10.665 4.971 1.00 0.00 N ATOM 100 CA GLN A 10 -7.763 -9.795 6.045 1.00 0.00 C ATOM 101 C GLN A 10 -6.667 -8.825 6.473 1.00 0.00 C ATOM 102 O GLN A 10 -5.481 -9.149 6.418 1.00 0.00 O ATOM 103 CB GLN A 10 -8.221 -10.628 7.243 1.00 0.00 C ATOM 104 CG GLN A 10 -8.679 -9.790 8.427 1.00 0.00 C ATOM 105 CD GLN A 10 -10.140 -9.400 8.334 1.00 0.00 C ATOM 106 OE1 GLN A 10 -10.764 -9.530 7.281 1.00 0.00 O ATOM 107 NE2 GLN A 10 -10.696 -8.918 9.440 1.00 0.00 N ATOM 0 H GLN A 10 -6.356 -11.032 5.103 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.608 -9.217 5.670 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.038 -11.279 6.931 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -7.402 -11.274 7.560 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -8.514 -10.349 9.348 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -8.069 -8.889 8.487 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -10.142 -8.827 10.291 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -11.677 -8.639 9.438 1.00 0.00 H new ATOM 116 N VAL A 11 -7.072 -7.633 6.899 1.00 0.00 N ATOM 117 CA VAL A 11 -6.124 -6.615 7.338 1.00 0.00 C ATOM 118 C VAL A 11 -6.524 -6.039 8.691 1.00 0.00 C ATOM 119 O VAL A 11 -7.431 -5.212 8.781 1.00 0.00 O ATOM 120 CB VAL A 11 -6.018 -5.469 6.315 1.00 0.00 C ATOM 121 CG1 VAL A 11 -5.053 -4.401 6.807 1.00 0.00 C ATOM 122 CG2 VAL A 11 -5.587 -6.005 4.958 1.00 0.00 C ATOM 0 H VAL A 11 -8.050 -7.348 6.950 1.00 0.00 H new ATOM 0 HA VAL A 11 -5.154 -7.103 7.427 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.001 -5.012 6.204 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.991 -3.599 6.071 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.410 -3.997 7.754 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.066 -4.840 6.949 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.517 -5.182 4.247 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.614 -6.489 5.050 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.320 -6.729 4.603 1.00 0.00 H new ATOM 132 N GLU A 12 -5.840 -6.480 9.742 1.00 0.00 N ATOM 133 CA GLU A 12 -6.124 -6.008 11.092 1.00 0.00 C ATOM 134 C GLU A 12 -5.570 -4.602 11.304 1.00 0.00 C ATOM 135 O GLU A 12 -6.323 -3.653 11.520 1.00 0.00 O ATOM 136 CB GLU A 12 -5.529 -6.964 12.127 1.00 0.00 C ATOM 137 CG GLU A 12 -6.265 -6.956 13.457 1.00 0.00 C ATOM 138 CD GLU A 12 -5.760 -5.878 14.396 1.00 0.00 C ATOM 139 OE1 GLU A 12 -5.773 -4.693 14.003 1.00 0.00 O ATOM 140 OE2 GLU A 12 -5.352 -6.221 15.526 1.00 0.00 O ATOM 0 H GLU A 12 -5.085 -7.164 9.684 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.206 -5.977 11.218 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.538 -7.976 11.722 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.486 -6.698 12.297 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.330 -6.807 13.278 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.155 -7.930 13.935 1.00 0.00 H new ATOM 147 N ALA A 13 -4.249 -4.477 11.241 1.00 0.00 N ATOM 148 CA ALA A 13 -3.593 -3.188 11.424 1.00 0.00 C ATOM 149 C ALA A 13 -2.371 -3.061 10.522 1.00 0.00 C ATOM 150 O ALA A 13 -1.807 -4.061 10.079 1.00 0.00 O ATOM 151 CB ALA A 13 -3.198 -3.000 12.882 1.00 0.00 C ATOM 0 H ALA A 13 -3.611 -5.253 11.064 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.299 -2.406 11.146 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.709 -2.034 13.005 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.089 -3.038 13.508 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.512 -3.794 13.178 1.00 0.00 H new ATOM 157 N TYR A 14 -1.967 -1.824 10.252 1.00 0.00 N ATOM 158 CA TYR A 14 -0.813 -1.566 9.399 1.00 0.00 C ATOM 159 C TYR A 14 0.094 -0.505 10.016 1.00 0.00 C ATOM 160 O TYR A 14 -0.377 0.427 10.667 1.00 0.00 O ATOM 161 CB TYR A 14 -1.270 -1.118 8.010 1.00 0.00 C ATOM 162 CG TYR A 14 -2.249 0.034 8.037 1.00 0.00 C ATOM 163 CD1 TYR A 14 -1.806 1.346 8.154 1.00 0.00 C ATOM 164 CD2 TYR A 14 -3.617 -0.190 7.946 1.00 0.00 C ATOM 165 CE1 TYR A 14 -2.697 2.401 8.179 1.00 0.00 C ATOM 166 CE2 TYR A 14 -4.516 0.860 7.969 1.00 0.00 C ATOM 167 CZ TYR A 14 -4.051 2.153 8.086 1.00 0.00 C ATOM 168 OH TYR A 14 -4.942 3.201 8.111 1.00 0.00 O ATOM 0 H TYR A 14 -2.422 -0.985 10.612 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.246 -2.493 9.306 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.397 -0.828 7.425 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.730 -1.963 7.498 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.747 1.544 8.227 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.984 -1.202 7.856 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.336 3.415 8.271 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.576 0.669 7.896 1.00 0.00 H new ATOM 0 HH TYR A 14 -4.531 3.990 7.699 1.00 0.00 H new ATOM 178 N SER A 15 1.397 -0.655 9.804 1.00 0.00 N ATOM 179 CA SER A 15 2.372 0.288 10.341 1.00 0.00 C ATOM 180 C SER A 15 3.626 0.326 9.473 1.00 0.00 C ATOM 181 O SER A 15 4.010 -0.663 8.848 1.00 0.00 O ATOM 182 CB SER A 15 2.743 -0.092 11.776 1.00 0.00 C ATOM 183 OG SER A 15 3.117 -1.456 11.862 1.00 0.00 O ATOM 0 H SER A 15 1.802 -1.420 9.265 1.00 0.00 H new ATOM 0 HA SER A 15 1.920 1.280 10.340 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.564 0.536 12.121 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.897 0.099 12.436 1.00 0.00 H new ATOM 0 HG SER A 15 3.351 -1.673 12.789 1.00 0.00 H new ATOM 189 N PRO A 16 4.281 1.496 9.432 1.00 0.00 N ATOM 190 CA PRO A 16 3.833 2.680 10.171 1.00 0.00 C ATOM 191 C PRO A 16 2.547 3.268 9.600 1.00 0.00 C ATOM 192 O PRO A 16 2.333 3.259 8.388 1.00 0.00 O ATOM 193 CB PRO A 16 4.993 3.664 10.001 1.00 0.00 C ATOM 194 CG PRO A 16 5.660 3.247 8.736 1.00 0.00 C ATOM 195 CD PRO A 16 5.508 1.753 8.661 1.00 0.00 C ATOM 0 HA PRO A 16 3.602 2.448 11.211 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.635 4.692 9.940 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.680 3.616 10.846 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.199 3.730 7.874 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.712 3.533 8.737 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.414 1.410 7.631 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.368 1.239 9.091 1.00 0.00 H new ATOM 203 N SER A 17 1.693 3.779 10.482 1.00 0.00 N ATOM 204 CA SER A 17 0.426 4.369 10.065 1.00 0.00 C ATOM 205 C SER A 17 0.612 5.233 8.821 1.00 0.00 C ATOM 206 O SER A 17 -0.268 5.301 7.963 1.00 0.00 O ATOM 207 CB SER A 17 -0.167 5.208 11.198 1.00 0.00 C ATOM 208 OG SER A 17 0.691 6.282 11.542 1.00 0.00 O ATOM 0 H SER A 17 1.855 3.796 11.489 1.00 0.00 H new ATOM 0 HA SER A 17 -0.262 3.559 9.824 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.139 5.598 10.895 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.334 4.578 12.072 1.00 0.00 H new ATOM 0 HG SER A 17 0.288 6.803 12.267 1.00 0.00 H new ATOM 214 N ALA A 18 1.763 5.890 8.732 1.00 0.00 N ATOM 215 CA ALA A 18 2.066 6.748 7.593 1.00 0.00 C ATOM 216 C ALA A 18 3.564 6.770 7.305 1.00 0.00 C ATOM 217 O ALA A 18 4.369 6.322 8.122 1.00 0.00 O ATOM 218 CB ALA A 18 1.555 8.159 7.844 1.00 0.00 C ATOM 0 H ALA A 18 2.501 5.845 9.435 1.00 0.00 H new ATOM 0 HA ALA A 18 1.560 6.340 6.718 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.788 8.789 6.985 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.476 8.134 7.993 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.035 8.567 8.734 1.00 0.00 H new ATOM 224 N CYS A 19 3.930 7.292 6.140 1.00 0.00 N ATOM 225 CA CYS A 19 5.332 7.370 5.744 1.00 0.00 C ATOM 226 C CYS A 19 5.576 8.578 4.846 1.00 0.00 C ATOM 227 O CYS A 19 4.649 9.317 4.516 1.00 0.00 O ATOM 228 CB CYS A 19 5.751 6.089 5.021 1.00 0.00 C ATOM 229 SG CYS A 19 7.500 5.673 5.211 1.00 0.00 S ATOM 0 H CYS A 19 3.276 7.667 5.453 1.00 0.00 H new ATOM 0 HA CYS A 19 5.934 7.483 6.646 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.149 5.260 5.394 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.527 6.194 3.959 1.00 0.00 H new ATOM 0 HG CYS A 19 8.017 5.429 4.044 1.00 0.00 H new ATOM 235 N SER A 20 6.831 8.774 4.455 1.00 0.00 N ATOM 236 CA SER A 20 7.200 9.896 3.599 1.00 0.00 C ATOM 237 C SER A 20 6.878 9.594 2.139 1.00 0.00 C ATOM 238 O SER A 20 6.946 8.445 1.701 1.00 0.00 O ATOM 239 CB SER A 20 8.688 10.213 3.751 1.00 0.00 C ATOM 240 OG SER A 20 8.962 10.784 5.019 1.00 0.00 O ATOM 0 H SER A 20 7.610 8.170 4.717 1.00 0.00 H new ATOM 0 HA SER A 20 6.618 10.764 3.909 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.272 9.301 3.626 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.999 10.901 2.964 1.00 0.00 H new ATOM 0 HG SER A 20 9.920 10.976 5.091 1.00 0.00 H new ATOM 246 N VAL A 21 6.528 10.634 1.389 1.00 0.00 N ATOM 247 CA VAL A 21 6.198 10.482 -0.023 1.00 0.00 C ATOM 248 C VAL A 21 7.251 9.652 -0.748 1.00 0.00 C ATOM 249 O VAL A 21 6.940 8.921 -1.688 1.00 0.00 O ATOM 250 CB VAL A 21 6.068 11.850 -0.719 1.00 0.00 C ATOM 251 CG1 VAL A 21 4.722 12.485 -0.405 1.00 0.00 C ATOM 252 CG2 VAL A 21 7.209 12.768 -0.306 1.00 0.00 C ATOM 0 H VAL A 21 6.466 11.591 1.736 1.00 0.00 H new ATOM 0 HA VAL A 21 5.239 9.966 -0.070 1.00 0.00 H new ATOM 0 HB VAL A 21 6.127 11.696 -1.796 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.650 13.450 -0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.922 11.833 -0.756 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.629 12.627 0.672 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.102 13.730 -0.807 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.184 12.916 0.774 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.160 12.316 -0.588 1.00 0.00 H new ATOM 262 N ARG A 22 8.498 9.771 -0.304 1.00 0.00 N ATOM 263 CA ARG A 22 9.599 9.032 -0.912 1.00 0.00 C ATOM 264 C ARG A 22 9.368 7.528 -0.805 1.00 0.00 C ATOM 265 O ARG A 22 9.648 6.778 -1.739 1.00 0.00 O ATOM 266 CB ARG A 22 10.922 9.405 -0.241 1.00 0.00 C ATOM 267 CG ARG A 22 11.443 10.775 -0.642 1.00 0.00 C ATOM 268 CD ARG A 22 12.883 10.976 -0.196 1.00 0.00 C ATOM 269 NE ARG A 22 13.793 10.037 -0.846 1.00 0.00 N ATOM 270 CZ ARG A 22 15.103 10.235 -0.949 1.00 0.00 C ATOM 271 NH1 ARG A 22 15.653 11.332 -0.447 1.00 0.00 N ATOM 272 NH2 ARG A 22 15.866 9.334 -1.555 1.00 0.00 N ATOM 0 H ARG A 22 8.771 10.371 0.474 1.00 0.00 H new ATOM 0 HA ARG A 22 9.646 9.301 -1.967 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.791 9.378 0.841 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.671 8.653 -0.491 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.377 10.888 -1.724 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.813 11.548 -0.202 1.00 0.00 H new ATOM 0 HD2 ARG A 22 13.193 11.996 -0.421 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.948 10.854 0.885 1.00 0.00 H new ATOM 0 HE ARG A 22 13.402 9.183 -1.243 1.00 0.00 H new ATOM 0 HH11 ARG A 22 15.070 12.027 0.020 1.00 0.00 H new ATOM 0 HH12 ARG A 22 16.659 11.481 -0.528 1.00 0.00 H new ATOM 0 HH21 ARG A 22 15.447 8.489 -1.942 1.00 0.00 H new ATOM 0 HH22 ARG A 22 16.871 9.487 -1.634 1.00 0.00 H new ATOM 286 N GLY A 23 8.855 7.093 0.343 1.00 0.00 N ATOM 287 CA GLY A 23 8.596 5.680 0.551 1.00 0.00 C ATOM 288 C GLY A 23 9.864 4.890 0.809 1.00 0.00 C ATOM 289 O GLY A 23 10.565 5.131 1.791 1.00 0.00 O ATOM 0 H GLY A 23 8.615 7.694 1.132 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.918 5.559 1.396 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.090 5.274 -0.325 1.00 0.00 H new ATOM 293 N GLY A 24 10.158 3.941 -0.075 1.00 0.00 N ATOM 294 CA GLY A 24 11.349 3.126 0.081 1.00 0.00 C ATOM 295 C GLY A 24 11.609 2.751 1.527 1.00 0.00 C ATOM 296 O GLY A 24 12.760 2.675 1.957 1.00 0.00 O ATOM 0 H GLY A 24 9.593 3.722 -0.896 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.245 2.218 -0.514 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.210 3.667 -0.311 1.00 0.00 H new ATOM 300 N GLU A 25 10.538 2.518 2.278 1.00 0.00 N ATOM 301 CA GLU A 25 10.657 2.151 3.685 1.00 0.00 C ATOM 302 C GLU A 25 10.062 0.769 3.939 1.00 0.00 C ATOM 303 O GLU A 25 9.406 0.195 3.070 1.00 0.00 O ATOM 304 CB GLU A 25 9.960 3.189 4.566 1.00 0.00 C ATOM 305 CG GLU A 25 10.792 4.437 4.811 1.00 0.00 C ATOM 306 CD GLU A 25 11.773 4.269 5.956 1.00 0.00 C ATOM 307 OE1 GLU A 25 11.347 3.814 7.038 1.00 0.00 O ATOM 308 OE2 GLU A 25 12.964 4.592 5.769 1.00 0.00 O ATOM 0 H GLU A 25 9.579 2.577 1.937 1.00 0.00 H new ATOM 0 HA GLU A 25 11.717 2.123 3.939 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.018 3.476 4.098 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.714 2.733 5.525 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.339 4.688 3.903 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.129 5.275 5.026 1.00 0.00 H new ATOM 315 N GLU A 26 10.297 0.241 5.136 1.00 0.00 N ATOM 316 CA GLU A 26 9.785 -1.073 5.505 1.00 0.00 C ATOM 317 C GLU A 26 8.367 -0.970 6.057 1.00 0.00 C ATOM 318 O GLU A 26 8.148 -0.428 7.141 1.00 0.00 O ATOM 319 CB GLU A 26 10.701 -1.730 6.540 1.00 0.00 C ATOM 320 CG GLU A 26 10.584 -3.244 6.582 1.00 0.00 C ATOM 321 CD GLU A 26 11.766 -3.902 7.267 1.00 0.00 C ATOM 322 OE1 GLU A 26 12.426 -3.230 8.088 1.00 0.00 O ATOM 323 OE2 GLU A 26 12.032 -5.088 6.983 1.00 0.00 O ATOM 0 H GLU A 26 10.839 0.703 5.866 1.00 0.00 H new ATOM 0 HA GLU A 26 9.762 -1.690 4.607 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.734 -1.460 6.322 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.468 -1.328 7.526 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.667 -3.519 7.103 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.499 -3.626 5.565 1.00 0.00 H new ATOM 330 N LEU A 27 7.405 -1.493 5.304 1.00 0.00 N ATOM 331 CA LEU A 27 6.006 -1.460 5.717 1.00 0.00 C ATOM 332 C LEU A 27 5.494 -2.865 6.018 1.00 0.00 C ATOM 333 O LEU A 27 5.457 -3.725 5.138 1.00 0.00 O ATOM 334 CB LEU A 27 5.148 -0.814 4.628 1.00 0.00 C ATOM 335 CG LEU A 27 3.634 -0.933 4.808 1.00 0.00 C ATOM 336 CD1 LEU A 27 3.151 0.009 5.900 1.00 0.00 C ATOM 337 CD2 LEU A 27 2.917 -0.645 3.497 1.00 0.00 C ATOM 0 H LEU A 27 7.568 -1.945 4.404 1.00 0.00 H new ATOM 0 HA LEU A 27 5.935 -0.865 6.627 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.405 0.244 4.571 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.416 -1.260 3.670 1.00 0.00 H new ATOM 0 HG LEU A 27 3.402 -1.955 5.109 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.071 -0.089 6.014 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.640 -0.244 6.841 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.395 1.036 5.629 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.841 -0.734 3.644 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.156 0.366 3.166 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.241 -1.360 2.741 1.00 0.00 H new ATOM 349 N VAL A 28 5.098 -3.090 7.267 1.00 0.00 N ATOM 350 CA VAL A 28 4.584 -4.389 7.684 1.00 0.00 C ATOM 351 C VAL A 28 3.072 -4.348 7.871 1.00 0.00 C ATOM 352 O VAL A 28 2.547 -3.493 8.587 1.00 0.00 O ATOM 353 CB VAL A 28 5.241 -4.857 8.996 1.00 0.00 C ATOM 354 CG1 VAL A 28 4.668 -6.198 9.431 1.00 0.00 C ATOM 355 CG2 VAL A 28 6.751 -4.940 8.836 1.00 0.00 C ATOM 0 H VAL A 28 5.123 -2.389 8.008 1.00 0.00 H new ATOM 0 HA VAL A 28 4.829 -5.096 6.891 1.00 0.00 H new ATOM 0 HB VAL A 28 5.021 -4.125 9.773 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.144 -6.513 10.360 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.594 -6.101 9.589 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.855 -6.942 8.657 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.198 -5.272 9.773 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.995 -5.650 8.046 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.144 -3.957 8.575 1.00 0.00 H new ATOM 365 N LEU A 29 2.376 -5.276 7.224 1.00 0.00 N ATOM 366 CA LEU A 29 0.922 -5.346 7.319 1.00 0.00 C ATOM 367 C LEU A 29 0.492 -6.467 8.260 1.00 0.00 C ATOM 368 O LEU A 29 0.988 -7.591 8.173 1.00 0.00 O ATOM 369 CB LEU A 29 0.310 -5.564 5.934 1.00 0.00 C ATOM 370 CG LEU A 29 0.610 -4.487 4.891 1.00 0.00 C ATOM 371 CD1 LEU A 29 0.402 -5.032 3.487 1.00 0.00 C ATOM 372 CD2 LEU A 29 -0.262 -3.262 5.124 1.00 0.00 C ATOM 0 H LEU A 29 2.795 -5.990 6.628 1.00 0.00 H new ATOM 0 HA LEU A 29 0.563 -4.399 7.723 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.662 -6.522 5.550 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.771 -5.643 6.045 1.00 0.00 H new ATOM 0 HG LEU A 29 1.654 -4.190 4.993 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.620 -4.252 2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.069 -5.879 3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.632 -5.357 3.372 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.035 -2.506 4.373 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.312 -3.544 5.050 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.064 -2.858 6.117 1.00 0.00 H new ATOM 384 N THR A 30 -0.437 -6.155 9.159 1.00 0.00 N ATOM 385 CA THR A 30 -0.935 -7.136 10.115 1.00 0.00 C ATOM 386 C THR A 30 -2.268 -7.719 9.661 1.00 0.00 C ATOM 387 O THR A 30 -3.150 -6.994 9.202 1.00 0.00 O ATOM 388 CB THR A 30 -1.109 -6.518 11.515 1.00 0.00 C ATOM 389 OG1 THR A 30 0.098 -5.857 11.912 1.00 0.00 O ATOM 390 CG2 THR A 30 -1.468 -7.585 12.538 1.00 0.00 C ATOM 0 H THR A 30 -0.859 -5.231 9.245 1.00 0.00 H new ATOM 0 HA THR A 30 -0.192 -7.932 10.167 1.00 0.00 H new ATOM 0 HB THR A 30 -1.922 -5.794 11.469 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.021 -5.465 12.802 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.586 -7.124 13.519 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.402 -8.066 12.249 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.674 -8.330 12.580 1.00 0.00 H new ATOM 398 N GLY A 31 -2.409 -9.035 9.792 1.00 0.00 N ATOM 399 CA GLY A 31 -3.638 -9.693 9.390 1.00 0.00 C ATOM 400 C GLY A 31 -3.478 -11.195 9.264 1.00 0.00 C ATOM 401 O GLY A 31 -2.617 -11.790 9.912 1.00 0.00 O ATOM 0 H GLY A 31 -1.694 -9.657 10.169 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -4.419 -9.474 10.118 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.969 -9.285 8.435 1.00 0.00 H new ATOM 405 N SER A 32 -4.310 -11.810 8.429 1.00 0.00 N ATOM 406 CA SER A 32 -4.260 -13.252 8.225 1.00 0.00 C ATOM 407 C SER A 32 -4.815 -13.626 6.854 1.00 0.00 C ATOM 408 O SER A 32 -5.483 -12.824 6.203 1.00 0.00 O ATOM 409 CB SER A 32 -5.048 -13.972 9.321 1.00 0.00 C ATOM 410 OG SER A 32 -6.405 -13.562 9.326 1.00 0.00 O ATOM 0 H SER A 32 -5.027 -11.331 7.883 1.00 0.00 H new ATOM 0 HA SER A 32 -3.217 -13.565 8.273 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.991 -15.049 9.166 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.599 -13.765 10.292 1.00 0.00 H new ATOM 0 HG SER A 32 -6.888 -14.037 10.034 1.00 0.00 H new ATOM 416 N ASN A 33 -4.534 -14.852 6.423 1.00 0.00 N ATOM 417 CA ASN A 33 -5.004 -15.333 5.129 1.00 0.00 C ATOM 418 C ASN A 33 -4.263 -14.641 3.989 1.00 0.00 C ATOM 419 O ASN A 33 -4.879 -14.149 3.043 1.00 0.00 O ATOM 420 CB ASN A 33 -6.510 -15.098 4.991 1.00 0.00 C ATOM 421 CG ASN A 33 -7.128 -15.942 3.892 1.00 0.00 C ATOM 422 OD1 ASN A 33 -7.904 -16.945 4.283 1.00 0.00 O flip ATOM 423 ND2 ASN A 33 -6.910 -15.693 2.706 1.00 0.00 N flip ATOM 0 H ASN A 33 -3.984 -15.530 6.951 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.803 -16.403 5.072 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.999 -15.325 5.938 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.693 -14.044 4.783 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -6.306 -14.911 2.452 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -7.333 -16.269 1.978 1.00 0.00 H new ATOM 430 N PHE A 34 -2.938 -14.609 4.085 1.00 0.00 N ATOM 431 CA PHE A 34 -2.113 -13.977 3.062 1.00 0.00 C ATOM 432 C PHE A 34 -1.514 -15.022 2.125 1.00 0.00 C ATOM 433 O PHE A 34 -1.673 -16.225 2.335 1.00 0.00 O ATOM 434 CB PHE A 34 -0.995 -13.159 3.712 1.00 0.00 C ATOM 435 CG PHE A 34 -1.480 -11.896 4.365 1.00 0.00 C ATOM 436 CD1 PHE A 34 -2.379 -11.065 3.715 1.00 0.00 C ATOM 437 CD2 PHE A 34 -1.036 -11.539 5.628 1.00 0.00 C ATOM 438 CE1 PHE A 34 -2.827 -9.902 4.313 1.00 0.00 C ATOM 439 CE2 PHE A 34 -1.481 -10.378 6.231 1.00 0.00 C ATOM 440 CZ PHE A 34 -2.376 -9.558 5.573 1.00 0.00 C ATOM 0 H PHE A 34 -2.413 -15.013 4.860 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.749 -13.312 2.478 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.492 -13.774 4.458 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -0.253 -12.906 2.955 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.734 -11.329 2.730 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.334 -12.175 6.147 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -3.528 -9.263 3.796 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.129 -10.112 7.217 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.723 -8.649 6.042 1.00 0.00 H new ATOM 450 N LEU A 35 -0.824 -14.554 1.090 1.00 0.00 N ATOM 451 CA LEU A 35 -0.201 -15.447 0.120 1.00 0.00 C ATOM 452 C LEU A 35 1.265 -15.083 -0.091 1.00 0.00 C ATOM 453 O LEU A 35 1.679 -13.938 0.089 1.00 0.00 O ATOM 454 CB LEU A 35 -0.950 -15.386 -1.213 1.00 0.00 C ATOM 455 CG LEU A 35 -2.118 -16.360 -1.371 1.00 0.00 C ATOM 456 CD1 LEU A 35 -3.182 -15.773 -2.285 1.00 0.00 C ATOM 457 CD2 LEU A 35 -1.629 -17.697 -1.908 1.00 0.00 C ATOM 0 H LEU A 35 -0.682 -13.562 0.902 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.252 -16.463 0.512 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.327 -14.372 -1.349 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.237 -15.571 -2.016 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.563 -16.526 -0.390 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.005 -16.480 -2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.554 -14.841 -1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.750 -15.576 -3.266 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.474 -18.378 -2.014 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.158 -17.549 -2.880 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.904 -18.124 -1.215 1.00 0.00 H new ATOM 469 N PRO A 36 2.072 -16.080 -0.485 1.00 0.00 N ATOM 470 CA PRO A 36 3.504 -15.889 -0.732 1.00 0.00 C ATOM 471 C PRO A 36 3.771 -15.050 -1.978 1.00 0.00 C ATOM 472 O PRO A 36 4.878 -14.551 -2.176 1.00 0.00 O ATOM 473 CB PRO A 36 4.023 -17.316 -0.928 1.00 0.00 C ATOM 474 CG PRO A 36 2.839 -18.089 -1.396 1.00 0.00 C ATOM 475 CD PRO A 36 1.647 -17.470 -0.721 1.00 0.00 C ATOM 0 HA PRO A 36 3.990 -15.351 0.082 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.830 -17.347 -1.660 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.420 -17.724 0.002 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.743 -18.038 -2.481 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.932 -19.143 -1.134 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.759 -17.517 -1.351 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.404 -17.980 0.211 1.00 0.00 H new ATOM 483 N ASP A 37 2.749 -14.898 -2.813 1.00 0.00 N ATOM 484 CA ASP A 37 2.873 -14.118 -4.038 1.00 0.00 C ATOM 485 C ASP A 37 1.743 -13.099 -4.150 1.00 0.00 C ATOM 486 O ASP A 37 1.277 -12.791 -5.247 1.00 0.00 O ATOM 487 CB ASP A 37 2.867 -15.040 -5.258 1.00 0.00 C ATOM 488 CG ASP A 37 1.505 -15.656 -5.512 1.00 0.00 C ATOM 489 OD1 ASP A 37 0.960 -16.293 -4.586 1.00 0.00 O ATOM 490 OD2 ASP A 37 0.983 -15.502 -6.636 1.00 0.00 O ATOM 0 H ASP A 37 1.826 -15.305 -2.664 1.00 0.00 H new ATOM 0 HA ASP A 37 3.821 -13.581 -4.003 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.177 -14.476 -6.138 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.600 -15.834 -5.114 1.00 0.00 H new ATOM 495 N SER A 38 1.307 -12.579 -3.007 1.00 0.00 N ATOM 496 CA SER A 38 0.228 -11.598 -2.976 1.00 0.00 C ATOM 497 C SER A 38 0.603 -10.354 -3.776 1.00 0.00 C ATOM 498 O SER A 38 1.744 -10.201 -4.213 1.00 0.00 O ATOM 499 CB SER A 38 -0.097 -11.211 -1.532 1.00 0.00 C ATOM 500 OG SER A 38 -1.062 -12.086 -0.975 1.00 0.00 O ATOM 0 H SER A 38 1.684 -12.820 -2.091 1.00 0.00 H new ATOM 0 HA SER A 38 -0.654 -12.049 -3.430 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.812 -11.238 -0.932 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.469 -10.187 -1.502 1.00 0.00 H new ATOM 0 HG SER A 38 -1.956 -11.826 -1.282 1.00 0.00 H new ATOM 506 N LYS A 39 -0.367 -9.465 -3.964 1.00 0.00 N ATOM 507 CA LYS A 39 -0.142 -8.232 -4.709 1.00 0.00 C ATOM 508 C LYS A 39 -0.573 -7.017 -3.894 1.00 0.00 C ATOM 509 O LYS A 39 -1.519 -7.087 -3.110 1.00 0.00 O ATOM 510 CB LYS A 39 -0.906 -8.267 -6.035 1.00 0.00 C ATOM 511 CG LYS A 39 -0.561 -7.117 -6.966 1.00 0.00 C ATOM 512 CD LYS A 39 -1.046 -7.382 -8.382 1.00 0.00 C ATOM 513 CE LYS A 39 -0.128 -8.348 -9.114 1.00 0.00 C ATOM 514 NZ LYS A 39 1.102 -7.674 -9.613 1.00 0.00 N ATOM 0 H LYS A 39 -1.317 -9.576 -3.610 1.00 0.00 H new ATOM 0 HA LYS A 39 0.926 -8.150 -4.913 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.696 -9.209 -6.541 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.976 -8.248 -5.829 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.011 -6.197 -6.592 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.518 -6.964 -6.973 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.056 -7.791 -8.351 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.099 -6.442 -8.931 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.150 -9.162 -8.445 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.664 -8.793 -9.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.701 -8.366 -10.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.838 -6.913 -10.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.627 -7.271 -8.811 1.00 0.00 H new ATOM 528 N VAL A 40 0.126 -5.903 -4.086 1.00 0.00 N ATOM 529 CA VAL A 40 -0.186 -4.672 -3.371 1.00 0.00 C ATOM 530 C VAL A 40 -0.135 -3.467 -4.303 1.00 0.00 C ATOM 531 O VAL A 40 0.941 -3.015 -4.694 1.00 0.00 O ATOM 532 CB VAL A 40 0.787 -4.442 -2.199 1.00 0.00 C ATOM 533 CG1 VAL A 40 0.487 -3.120 -1.507 1.00 0.00 C ATOM 534 CG2 VAL A 40 0.715 -5.597 -1.212 1.00 0.00 C ATOM 0 H VAL A 40 0.912 -5.828 -4.731 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.197 -4.781 -2.979 1.00 0.00 H new ATOM 0 HB VAL A 40 1.801 -4.396 -2.596 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.184 -2.975 -0.682 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.594 -2.303 -2.221 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.533 -3.134 -1.122 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.409 -5.418 -0.391 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.299 -5.678 -0.820 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.983 -6.525 -1.717 1.00 0.00 H new ATOM 544 N VAL A 41 -1.308 -2.948 -4.655 1.00 0.00 N ATOM 545 CA VAL A 41 -1.398 -1.794 -5.541 1.00 0.00 C ATOM 546 C VAL A 41 -1.945 -0.577 -4.803 1.00 0.00 C ATOM 547 O VAL A 41 -2.727 -0.708 -3.862 1.00 0.00 O ATOM 548 CB VAL A 41 -2.295 -2.089 -6.758 1.00 0.00 C ATOM 549 CG1 VAL A 41 -1.885 -3.396 -7.419 1.00 0.00 C ATOM 550 CG2 VAL A 41 -3.758 -2.126 -6.345 1.00 0.00 C ATOM 0 H VAL A 41 -2.208 -3.309 -4.340 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.387 -1.581 -5.888 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.167 -1.287 -7.485 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.530 -3.588 -8.277 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.849 -3.326 -7.752 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.982 -4.212 -6.703 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.377 -2.336 -7.217 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.906 -2.907 -5.599 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.041 -1.162 -5.922 1.00 0.00 H new ATOM 560 N PHE A 42 -1.528 0.608 -5.238 1.00 0.00 N ATOM 561 CA PHE A 42 -1.976 1.850 -4.618 1.00 0.00 C ATOM 562 C PHE A 42 -2.904 2.620 -5.553 1.00 0.00 C ATOM 563 O PHE A 42 -2.943 2.363 -6.757 1.00 0.00 O ATOM 564 CB PHE A 42 -0.775 2.720 -4.243 1.00 0.00 C ATOM 565 CG PHE A 42 -0.096 2.290 -2.974 1.00 0.00 C ATOM 566 CD1 PHE A 42 0.333 0.983 -2.811 1.00 0.00 C ATOM 567 CD2 PHE A 42 0.113 3.193 -1.944 1.00 0.00 C ATOM 568 CE1 PHE A 42 0.957 0.584 -1.644 1.00 0.00 C ATOM 569 CE2 PHE A 42 0.736 2.801 -0.775 1.00 0.00 C ATOM 570 CZ PHE A 42 1.160 1.495 -0.625 1.00 0.00 C ATOM 0 H PHE A 42 -0.881 0.734 -6.017 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.529 1.597 -3.713 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -0.052 2.698 -5.058 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.104 3.754 -4.137 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.178 0.267 -3.605 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.215 4.216 -2.056 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.285 -0.438 -1.529 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.891 3.515 0.021 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.649 1.186 0.287 1.00 0.00 H new ATOM 580 N ILE A 43 -3.650 3.565 -4.990 1.00 0.00 N ATOM 581 CA ILE A 43 -4.577 4.373 -5.773 1.00 0.00 C ATOM 582 C ILE A 43 -4.511 5.840 -5.360 1.00 0.00 C ATOM 583 O ILE A 43 -3.980 6.173 -4.302 1.00 0.00 O ATOM 584 CB ILE A 43 -6.025 3.873 -5.621 1.00 0.00 C ATOM 585 CG1 ILE A 43 -6.457 3.931 -4.155 1.00 0.00 C ATOM 586 CG2 ILE A 43 -6.157 2.458 -6.163 1.00 0.00 C ATOM 587 CD1 ILE A 43 -7.938 3.703 -3.951 1.00 0.00 C ATOM 0 H ILE A 43 -3.631 3.790 -3.995 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.276 4.278 -6.816 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.681 4.524 -6.199 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.901 3.182 -3.591 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.188 4.904 -3.744 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -7.187 2.119 -6.048 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.887 2.446 -7.219 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.493 1.793 -5.611 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.172 3.758 -2.888 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.501 4.467 -4.486 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.210 2.719 -4.332 1.00 0.00 H new ATOM 599 N GLU A 44 -5.056 6.711 -6.204 1.00 0.00 N ATOM 600 CA GLU A 44 -5.060 8.143 -5.925 1.00 0.00 C ATOM 601 C GLU A 44 -6.310 8.805 -6.496 1.00 0.00 C ATOM 602 O GLU A 44 -6.669 8.584 -7.653 1.00 0.00 O ATOM 603 CB GLU A 44 -3.808 8.802 -6.510 1.00 0.00 C ATOM 604 CG GLU A 44 -3.843 10.320 -6.465 1.00 0.00 C ATOM 605 CD GLU A 44 -2.809 10.954 -7.375 1.00 0.00 C ATOM 606 OE1 GLU A 44 -1.685 10.417 -7.459 1.00 0.00 O ATOM 607 OE2 GLU A 44 -3.124 11.987 -8.002 1.00 0.00 O ATOM 0 H GLU A 44 -5.500 6.451 -7.085 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.061 8.277 -4.843 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.933 8.451 -5.963 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.688 8.480 -7.544 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.836 10.666 -6.753 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.674 10.654 -5.441 1.00 0.00 H new ATOM 614 N ARG A 45 -6.970 9.616 -5.676 1.00 0.00 N ATOM 615 CA ARG A 45 -8.182 10.309 -6.097 1.00 0.00 C ATOM 616 C ARG A 45 -7.844 11.649 -6.744 1.00 0.00 C ATOM 617 O ARG A 45 -7.037 12.416 -6.222 1.00 0.00 O ATOM 618 CB ARG A 45 -9.112 10.527 -4.903 1.00 0.00 C ATOM 619 CG ARG A 45 -10.078 9.378 -4.666 1.00 0.00 C ATOM 620 CD ARG A 45 -10.671 9.428 -3.266 1.00 0.00 C ATOM 621 NE ARG A 45 -11.903 8.650 -3.165 1.00 0.00 N ATOM 622 CZ ARG A 45 -13.091 9.100 -3.552 1.00 0.00 C ATOM 623 NH1 ARG A 45 -13.207 10.318 -4.064 1.00 0.00 N ATOM 624 NH2 ARG A 45 -14.166 8.332 -3.428 1.00 0.00 N ATOM 0 H ARG A 45 -6.686 9.810 -4.716 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.689 9.686 -6.834 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.510 10.675 -4.007 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.682 11.443 -5.059 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.880 9.417 -5.403 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.560 8.430 -4.809 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.942 9.048 -2.550 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -10.873 10.464 -2.995 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.848 7.709 -2.776 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -12.383 10.911 -4.161 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -14.120 10.662 -4.361 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -14.081 7.395 -3.035 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -15.078 8.679 -3.726 1.00 0.00 H new ATOM 638 N GLY A 46 -8.469 11.923 -7.885 1.00 0.00 N ATOM 639 CA GLY A 46 -8.222 13.170 -8.585 1.00 0.00 C ATOM 640 C GLY A 46 -9.346 14.171 -8.403 1.00 0.00 C ATOM 641 O GLY A 46 -10.443 13.830 -7.959 1.00 0.00 O ATOM 0 H GLY A 46 -9.142 11.304 -8.337 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -7.290 13.606 -8.226 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.090 12.966 -9.648 1.00 0.00 H new ATOM 645 N PRO A 47 -9.077 15.439 -8.748 1.00 0.00 N ATOM 646 CA PRO A 47 -10.062 16.518 -8.628 1.00 0.00 C ATOM 647 C PRO A 47 -11.198 16.381 -9.635 1.00 0.00 C ATOM 648 O PRO A 47 -12.090 17.227 -9.698 1.00 0.00 O ATOM 649 CB PRO A 47 -9.243 17.779 -8.914 1.00 0.00 C ATOM 650 CG PRO A 47 -8.105 17.310 -9.754 1.00 0.00 C ATOM 651 CD PRO A 47 -7.791 15.916 -9.284 1.00 0.00 C ATOM 0 HA PRO A 47 -10.547 16.520 -7.652 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -9.838 18.528 -9.437 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.890 18.240 -7.991 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.372 17.315 -10.811 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.241 17.964 -9.641 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -7.438 15.287 -10.101 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -7.012 15.915 -8.521 1.00 0.00 H new ATOM 659 N ASP A 48 -11.160 15.310 -10.421 1.00 0.00 N ATOM 660 CA ASP A 48 -12.188 15.062 -11.425 1.00 0.00 C ATOM 661 C ASP A 48 -13.330 14.237 -10.840 1.00 0.00 C ATOM 662 O ASP A 48 -14.500 14.486 -11.129 1.00 0.00 O ATOM 663 CB ASP A 48 -11.588 14.341 -12.633 1.00 0.00 C ATOM 664 CG ASP A 48 -10.454 15.121 -13.268 1.00 0.00 C ATOM 665 OD1 ASP A 48 -10.728 16.175 -13.879 1.00 0.00 O ATOM 666 OD2 ASP A 48 -9.291 14.677 -13.155 1.00 0.00 O ATOM 0 H ASP A 48 -10.429 14.600 -10.382 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.586 16.024 -11.747 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.223 13.362 -12.323 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -12.368 14.170 -13.375 1.00 0.00 H new ATOM 671 N GLY A 49 -12.982 13.253 -10.017 1.00 0.00 N ATOM 672 CA GLY A 49 -13.989 12.406 -9.405 1.00 0.00 C ATOM 673 C GLY A 49 -13.572 10.949 -9.361 1.00 0.00 C ATOM 674 O GLY A 49 -13.913 10.226 -8.425 1.00 0.00 O ATOM 0 H GLY A 49 -12.020 13.027 -9.763 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -14.186 12.755 -8.391 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.922 12.497 -9.960 1.00 0.00 H new ATOM 678 N LYS A 50 -12.834 10.516 -10.377 1.00 0.00 N ATOM 679 CA LYS A 50 -12.369 9.135 -10.452 1.00 0.00 C ATOM 680 C LYS A 50 -10.892 9.038 -10.083 1.00 0.00 C ATOM 681 O LYS A 50 -10.129 9.985 -10.278 1.00 0.00 O ATOM 682 CB LYS A 50 -12.593 8.576 -11.858 1.00 0.00 C ATOM 683 CG LYS A 50 -11.966 9.419 -12.955 1.00 0.00 C ATOM 684 CD LYS A 50 -12.293 8.872 -14.335 1.00 0.00 C ATOM 685 CE LYS A 50 -13.662 9.336 -14.808 1.00 0.00 C ATOM 686 NZ LYS A 50 -13.624 10.727 -15.339 1.00 0.00 N ATOM 0 H LYS A 50 -12.545 11.101 -11.161 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.943 8.545 -9.738 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -12.184 7.567 -11.908 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -13.664 8.495 -12.041 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.324 10.446 -12.875 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.885 9.447 -12.821 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.532 9.196 -15.046 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.265 7.783 -14.312 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.026 8.661 -15.583 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.369 9.282 -13.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.576 11.006 -15.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.301 11.375 -14.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.968 10.773 -16.145 1.00 0.00 H new ATOM 700 N LEU A 51 -10.495 7.887 -9.551 1.00 0.00 N ATOM 701 CA LEU A 51 -9.108 7.665 -9.157 1.00 0.00 C ATOM 702 C LEU A 51 -8.388 6.784 -10.172 1.00 0.00 C ATOM 703 O LEU A 51 -8.914 5.758 -10.601 1.00 0.00 O ATOM 704 CB LEU A 51 -9.049 7.019 -7.771 1.00 0.00 C ATOM 705 CG LEU A 51 -10.026 5.868 -7.525 1.00 0.00 C ATOM 706 CD1 LEU A 51 -9.654 4.661 -8.372 1.00 0.00 C ATOM 707 CD2 LEU A 51 -10.052 5.498 -6.049 1.00 0.00 C ATOM 0 H LEU A 51 -11.114 7.094 -9.383 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.606 8.632 -9.123 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.036 6.651 -7.606 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.233 7.791 -7.024 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.024 6.196 -7.815 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.360 3.853 -8.183 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.687 4.933 -9.427 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.648 4.331 -8.114 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.752 4.678 -5.892 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.055 5.190 -5.734 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.367 6.361 -5.463 1.00 0.00 H new ATOM 719 N GLN A 52 -7.181 7.192 -10.551 1.00 0.00 N ATOM 720 CA GLN A 52 -6.388 6.439 -11.515 1.00 0.00 C ATOM 721 C GLN A 52 -4.900 6.547 -11.198 1.00 0.00 C ATOM 722 O GLN A 52 -4.276 7.579 -11.444 1.00 0.00 O ATOM 723 CB GLN A 52 -6.657 6.943 -12.933 1.00 0.00 C ATOM 724 CG GLN A 52 -8.126 6.907 -13.323 1.00 0.00 C ATOM 725 CD GLN A 52 -8.564 5.543 -13.822 1.00 0.00 C ATOM 726 OE1 GLN A 52 -8.345 4.528 -13.161 1.00 0.00 O ATOM 727 NE2 GLN A 52 -9.186 5.514 -14.995 1.00 0.00 N ATOM 0 H GLN A 52 -6.731 8.040 -10.205 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.680 5.391 -11.448 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.291 7.966 -13.022 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.087 6.338 -13.639 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.733 7.187 -12.462 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -8.310 7.650 -14.099 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.346 6.380 -15.509 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.503 4.625 -15.382 1.00 0.00 H new ATOM 736 N TRP A 53 -4.337 5.475 -10.652 1.00 0.00 N ATOM 737 CA TRP A 53 -2.922 5.450 -10.301 1.00 0.00 C ATOM 738 C TRP A 53 -2.375 4.027 -10.347 1.00 0.00 C ATOM 739 O TRP A 53 -2.780 3.172 -9.560 1.00 0.00 O ATOM 740 CB TRP A 53 -2.709 6.046 -8.909 1.00 0.00 C ATOM 741 CG TRP A 53 -1.280 6.396 -8.624 1.00 0.00 C ATOM 742 CD1 TRP A 53 -0.360 6.872 -9.514 1.00 0.00 C ATOM 743 CD2 TRP A 53 -0.608 6.295 -7.364 1.00 0.00 C ATOM 744 NE1 TRP A 53 0.844 7.073 -8.883 1.00 0.00 N ATOM 745 CE2 TRP A 53 0.718 6.728 -7.563 1.00 0.00 C ATOM 746 CE3 TRP A 53 -0.997 5.885 -6.086 1.00 0.00 C ATOM 747 CZ2 TRP A 53 1.654 6.758 -6.532 1.00 0.00 C ATOM 748 CZ3 TRP A 53 -0.067 5.915 -5.064 1.00 0.00 C ATOM 749 CH2 TRP A 53 1.245 6.350 -5.292 1.00 0.00 C ATOM 0 H TRP A 53 -4.839 4.612 -10.443 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.382 6.051 -11.032 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -3.322 6.942 -8.808 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -3.058 5.335 -8.160 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.551 7.062 -10.560 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.694 7.422 -9.326 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -2.007 5.550 -5.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.667 7.091 -6.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.357 5.598 -4.073 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.948 6.364 -4.472 1.00 0.00 H new ATOM 760 N GLU A 54 -1.452 3.782 -11.272 1.00 0.00 N ATOM 761 CA GLU A 54 -0.851 2.461 -11.419 1.00 0.00 C ATOM 762 C GLU A 54 0.570 2.446 -10.864 1.00 0.00 C ATOM 763 O GLU A 54 1.497 2.957 -11.491 1.00 0.00 O ATOM 764 CB GLU A 54 -0.840 2.043 -12.891 1.00 0.00 C ATOM 765 CG GLU A 54 -0.416 0.600 -13.110 1.00 0.00 C ATOM 766 CD GLU A 54 -0.841 0.067 -14.465 1.00 0.00 C ATOM 767 OE1 GLU A 54 -2.061 -0.010 -14.717 1.00 0.00 O ATOM 768 OE2 GLU A 54 0.049 -0.273 -15.273 1.00 0.00 O ATOM 0 H GLU A 54 -1.104 4.480 -11.930 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.452 1.751 -10.851 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.836 2.188 -13.309 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.165 2.699 -13.441 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.668 0.525 -13.018 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.846 -0.024 -12.327 1.00 0.00 H new ATOM 775 N GLU A 55 0.731 1.856 -9.683 1.00 0.00 N ATOM 776 CA GLU A 55 2.039 1.775 -9.043 1.00 0.00 C ATOM 777 C GLU A 55 2.170 0.487 -8.235 1.00 0.00 C ATOM 778 O GLU A 55 1.465 0.289 -7.246 1.00 0.00 O ATOM 779 CB GLU A 55 2.262 2.986 -8.134 1.00 0.00 C ATOM 780 CG GLU A 55 2.843 4.190 -8.855 1.00 0.00 C ATOM 781 CD GLU A 55 4.288 3.984 -9.263 1.00 0.00 C ATOM 782 OE1 GLU A 55 5.180 4.184 -8.413 1.00 0.00 O ATOM 783 OE2 GLU A 55 4.528 3.622 -10.434 1.00 0.00 O ATOM 0 H GLU A 55 -0.027 1.428 -9.151 1.00 0.00 H new ATOM 0 HA GLU A 55 2.799 1.772 -9.825 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.312 3.269 -7.680 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.931 2.702 -7.322 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.245 4.401 -9.742 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.773 5.065 -8.208 1.00 0.00 H new ATOM 790 N GLU A 56 3.078 -0.384 -8.664 1.00 0.00 N ATOM 791 CA GLU A 56 3.301 -1.653 -7.982 1.00 0.00 C ATOM 792 C GLU A 56 4.386 -1.515 -6.918 1.00 0.00 C ATOM 793 O GLU A 56 5.372 -0.804 -7.110 1.00 0.00 O ATOM 794 CB GLU A 56 3.693 -2.737 -8.988 1.00 0.00 C ATOM 795 CG GLU A 56 4.084 -4.055 -8.341 1.00 0.00 C ATOM 796 CD GLU A 56 4.646 -5.050 -9.338 1.00 0.00 C ATOM 797 OE1 GLU A 56 3.859 -5.601 -10.136 1.00 0.00 O ATOM 798 OE2 GLU A 56 5.874 -5.276 -9.321 1.00 0.00 O ATOM 0 H GLU A 56 3.671 -0.234 -9.480 1.00 0.00 H new ATOM 0 HA GLU A 56 2.371 -1.941 -7.493 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.858 -2.909 -9.668 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.526 -2.377 -9.591 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.824 -3.868 -7.563 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.211 -4.489 -7.853 1.00 0.00 H new ATOM 805 N ALA A 57 4.196 -2.200 -5.795 1.00 0.00 N ATOM 806 CA ALA A 57 5.158 -2.156 -4.701 1.00 0.00 C ATOM 807 C ALA A 57 5.889 -3.487 -4.559 1.00 0.00 C ATOM 808 O ALA A 57 5.302 -4.553 -4.744 1.00 0.00 O ATOM 809 CB ALA A 57 4.460 -1.794 -3.398 1.00 0.00 C ATOM 0 H ALA A 57 3.384 -2.792 -5.619 1.00 0.00 H new ATOM 0 HA ALA A 57 5.897 -1.388 -4.930 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.191 -1.765 -2.590 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.989 -0.816 -3.497 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.699 -2.542 -3.173 1.00 0.00 H new ATOM 815 N THR A 58 7.175 -3.418 -4.229 1.00 0.00 N ATOM 816 CA THR A 58 7.987 -4.617 -4.064 1.00 0.00 C ATOM 817 C THR A 58 7.489 -5.462 -2.897 1.00 0.00 C ATOM 818 O THR A 58 6.980 -4.934 -1.908 1.00 0.00 O ATOM 819 CB THR A 58 9.468 -4.265 -3.832 1.00 0.00 C ATOM 820 OG1 THR A 58 9.948 -3.439 -4.899 1.00 0.00 O ATOM 821 CG2 THR A 58 10.316 -5.525 -3.738 1.00 0.00 C ATOM 0 H THR A 58 7.677 -2.544 -4.071 1.00 0.00 H new ATOM 0 HA THR A 58 7.897 -5.189 -4.988 1.00 0.00 H new ATOM 0 HB THR A 58 9.546 -3.723 -2.890 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.890 -3.218 -4.743 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.358 -5.251 -3.574 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.967 -6.137 -2.907 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.231 -6.091 -4.666 1.00 0.00 H new ATOM 829 N VAL A 59 7.639 -6.777 -3.018 1.00 0.00 N ATOM 830 CA VAL A 59 7.206 -7.696 -1.972 1.00 0.00 C ATOM 831 C VAL A 59 8.274 -8.745 -1.685 1.00 0.00 C ATOM 832 O VAL A 59 8.863 -9.313 -2.604 1.00 0.00 O ATOM 833 CB VAL A 59 5.894 -8.406 -2.357 1.00 0.00 C ATOM 834 CG1 VAL A 59 5.658 -9.613 -1.462 1.00 0.00 C ATOM 835 CG2 VAL A 59 4.723 -7.439 -2.281 1.00 0.00 C ATOM 0 H VAL A 59 8.057 -7.230 -3.830 1.00 0.00 H new ATOM 0 HA VAL A 59 7.038 -7.099 -1.076 1.00 0.00 H new ATOM 0 HB VAL A 59 5.979 -8.757 -3.385 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.727 -10.102 -1.749 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.485 -10.315 -1.572 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.593 -9.289 -0.423 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.805 -7.957 -2.556 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.633 -7.056 -1.265 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.891 -6.609 -2.968 1.00 0.00 H new ATOM 845 N ASN A 60 8.518 -8.998 -0.403 1.00 0.00 N ATOM 846 CA ASN A 60 9.516 -9.979 0.006 1.00 0.00 C ATOM 847 C ASN A 60 8.858 -11.168 0.699 1.00 0.00 C ATOM 848 O ASN A 60 8.769 -11.212 1.926 1.00 0.00 O ATOM 849 CB ASN A 60 10.543 -9.335 0.939 1.00 0.00 C ATOM 850 CG ASN A 60 11.894 -10.021 0.873 1.00 0.00 C ATOM 851 OD1 ASN A 60 12.079 -10.984 0.129 1.00 0.00 O ATOM 852 ND2 ASN A 60 12.847 -9.526 1.655 1.00 0.00 N ATOM 0 H ASN A 60 8.038 -8.537 0.370 1.00 0.00 H new ATOM 0 HA ASN A 60 10.024 -10.338 -0.889 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.659 -8.283 0.677 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.171 -9.369 1.963 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.777 -9.946 1.654 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.649 -8.726 2.256 1.00 0.00 H new ATOM 859 N ARG A 61 8.398 -12.129 -0.095 1.00 0.00 N ATOM 860 CA ARG A 61 7.748 -13.318 0.442 1.00 0.00 C ATOM 861 C ARG A 61 8.628 -13.993 1.490 1.00 0.00 C ATOM 862 O ARG A 61 8.140 -14.457 2.521 1.00 0.00 O ATOM 863 CB ARG A 61 7.428 -14.304 -0.683 1.00 0.00 C ATOM 864 CG ARG A 61 8.661 -14.828 -1.402 1.00 0.00 C ATOM 865 CD ARG A 61 9.273 -13.767 -2.303 1.00 0.00 C ATOM 866 NE ARG A 61 10.084 -14.354 -3.367 1.00 0.00 N ATOM 867 CZ ARG A 61 9.576 -14.847 -4.491 1.00 0.00 C ATOM 868 NH1 ARG A 61 8.267 -14.822 -4.698 1.00 0.00 N ATOM 869 NH2 ARG A 61 10.379 -15.364 -5.412 1.00 0.00 N ATOM 0 H ARG A 61 8.463 -12.107 -1.113 1.00 0.00 H new ATOM 0 HA ARG A 61 6.818 -13.008 0.919 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.873 -15.146 -0.270 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.775 -13.817 -1.407 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.399 -15.155 -0.670 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.393 -15.701 -1.996 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.479 -13.163 -2.743 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.890 -13.096 -1.705 1.00 0.00 H new ATOM 0 HE ARG A 61 11.096 -14.387 -3.240 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.647 -14.423 -3.993 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.880 -15.201 -5.562 1.00 0.00 H new ATOM 0 HH21 ARG A 61 11.387 -15.383 -5.257 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.988 -15.742 -6.275 1.00 0.00 H new ATOM 883 N LEU A 62 9.927 -14.046 1.217 1.00 0.00 N ATOM 884 CA LEU A 62 10.877 -14.666 2.136 1.00 0.00 C ATOM 885 C LEU A 62 10.614 -14.223 3.571 1.00 0.00 C ATOM 886 O LEU A 62 10.411 -15.051 4.459 1.00 0.00 O ATOM 887 CB LEU A 62 12.310 -14.311 1.735 1.00 0.00 C ATOM 888 CG LEU A 62 12.788 -14.865 0.392 1.00 0.00 C ATOM 889 CD1 LEU A 62 12.458 -16.345 0.278 1.00 0.00 C ATOM 890 CD2 LEU A 62 12.164 -14.087 -0.758 1.00 0.00 C ATOM 0 H LEU A 62 10.347 -13.668 0.368 1.00 0.00 H new ATOM 0 HA LEU A 62 10.747 -15.747 2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 62 12.401 -13.225 1.710 1.00 0.00 H new ATOM 0 HB3 LEU A 62 12.983 -14.670 2.514 1.00 0.00 H new ATOM 0 HG LEU A 62 13.871 -14.750 0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 62 12.805 -16.722 -0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.952 -16.891 1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.380 -16.484 0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.515 -14.495 -1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 62 11.078 -14.170 -0.707 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.451 -13.038 -0.686 1.00 0.00 H new ATOM 902 N GLN A 63 10.617 -12.912 3.791 1.00 0.00 N ATOM 903 CA GLN A 63 10.377 -12.359 5.119 1.00 0.00 C ATOM 904 C GLN A 63 8.899 -12.444 5.485 1.00 0.00 C ATOM 905 O GLN A 63 8.546 -12.835 6.597 1.00 0.00 O ATOM 906 CB GLN A 63 10.848 -10.905 5.182 1.00 0.00 C ATOM 907 CG GLN A 63 12.342 -10.740 4.956 1.00 0.00 C ATOM 908 CD GLN A 63 12.861 -9.401 5.443 1.00 0.00 C ATOM 909 OE1 GLN A 63 12.085 -8.507 5.782 1.00 0.00 O ATOM 910 NE2 GLN A 63 14.181 -9.255 5.481 1.00 0.00 N ATOM 0 H GLN A 63 10.783 -12.213 3.067 1.00 0.00 H new ATOM 0 HA GLN A 63 10.945 -12.949 5.839 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.309 -10.324 4.433 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.588 -10.489 6.155 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.874 -11.540 5.470 1.00 0.00 H new ATOM 0 HG3 GLN A 63 12.559 -10.845 3.893 1.00 0.00 H new ATOM 0 HE21 GLN A 63 14.788 -10.022 5.191 1.00 0.00 H new ATOM 0 HE22 GLN A 63 14.588 -8.376 5.800 1.00 0.00 H new ATOM 919 N SER A 64 8.039 -12.074 4.541 1.00 0.00 N ATOM 920 CA SER A 64 6.598 -12.104 4.766 1.00 0.00 C ATOM 921 C SER A 64 6.166 -13.449 5.342 1.00 0.00 C ATOM 922 O SER A 64 6.828 -14.466 5.137 1.00 0.00 O ATOM 923 CB SER A 64 5.851 -11.832 3.459 1.00 0.00 C ATOM 924 OG SER A 64 5.567 -13.040 2.773 1.00 0.00 O ATOM 0 H SER A 64 8.315 -11.750 3.614 1.00 0.00 H new ATOM 0 HA SER A 64 6.351 -11.324 5.486 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.922 -11.303 3.671 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.450 -11.181 2.823 1.00 0.00 H new ATOM 0 HG SER A 64 6.368 -13.604 2.758 1.00 0.00 H new ATOM 930 N ASN A 65 5.050 -13.445 6.064 1.00 0.00 N ATOM 931 CA ASN A 65 4.529 -14.664 6.671 1.00 0.00 C ATOM 932 C ASN A 65 3.090 -14.918 6.232 1.00 0.00 C ATOM 933 O ASN A 65 2.507 -14.125 5.494 1.00 0.00 O ATOM 934 CB ASN A 65 4.600 -14.570 8.197 1.00 0.00 C ATOM 935 CG ASN A 65 4.540 -15.931 8.863 1.00 0.00 C ATOM 936 OD1 ASN A 65 3.571 -16.111 9.754 1.00 0.00 O flip ATOM 937 ND2 ASN A 65 5.354 -16.809 8.581 1.00 0.00 N flip ATOM 0 H ASN A 65 4.490 -12.612 6.243 1.00 0.00 H new ATOM 0 HA ASN A 65 5.145 -15.499 6.336 1.00 0.00 H new ATOM 0 HB2 ASN A 65 5.524 -14.068 8.485 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.776 -13.955 8.559 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.082 -16.627 7.890 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.301 -17.719 9.038 1.00 0.00 H new ATOM 944 N GLU A 66 2.523 -16.029 6.694 1.00 0.00 N ATOM 945 CA GLU A 66 1.152 -16.386 6.348 1.00 0.00 C ATOM 946 C GLU A 66 0.161 -15.410 6.976 1.00 0.00 C ATOM 947 O GLU A 66 -0.957 -15.244 6.488 1.00 0.00 O ATOM 948 CB GLU A 66 0.842 -17.812 6.808 1.00 0.00 C ATOM 949 CG GLU A 66 -0.564 -18.272 6.461 1.00 0.00 C ATOM 950 CD GLU A 66 -0.926 -19.589 7.119 1.00 0.00 C ATOM 951 OE1 GLU A 66 -1.050 -19.618 8.361 1.00 0.00 O ATOM 952 OE2 GLU A 66 -1.086 -20.591 6.391 1.00 0.00 O ATOM 0 H GLU A 66 2.991 -16.696 7.308 1.00 0.00 H new ATOM 0 HA GLU A 66 1.051 -16.332 5.264 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.561 -18.495 6.355 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.979 -17.874 7.887 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.278 -17.508 6.768 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.652 -18.374 5.379 1.00 0.00 H new ATOM 959 N VAL A 67 0.579 -14.767 8.061 1.00 0.00 N ATOM 960 CA VAL A 67 -0.270 -13.808 8.757 1.00 0.00 C ATOM 961 C VAL A 67 0.296 -12.396 8.653 1.00 0.00 C ATOM 962 O VAL A 67 -0.416 -11.412 8.856 1.00 0.00 O ATOM 963 CB VAL A 67 -0.433 -14.176 10.243 1.00 0.00 C ATOM 964 CG1 VAL A 67 -1.184 -15.491 10.389 1.00 0.00 C ATOM 965 CG2 VAL A 67 0.925 -14.250 10.925 1.00 0.00 C ATOM 0 H VAL A 67 1.502 -14.893 8.478 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.246 -13.842 8.274 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.017 -13.396 10.730 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.289 -15.734 11.446 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.172 -15.398 9.938 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.630 -16.284 9.888 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.791 -14.511 11.975 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.536 -15.009 10.437 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.422 -13.283 10.852 1.00 0.00 H new ATOM 975 N THR A 68 1.584 -12.303 8.335 1.00 0.00 N ATOM 976 CA THR A 68 2.247 -11.012 8.204 1.00 0.00 C ATOM 977 C THR A 68 2.723 -10.780 6.775 1.00 0.00 C ATOM 978 O THR A 68 2.974 -11.729 6.031 1.00 0.00 O ATOM 979 CB THR A 68 3.451 -10.900 9.158 1.00 0.00 C ATOM 980 OG1 THR A 68 3.015 -11.034 10.516 1.00 0.00 O ATOM 981 CG2 THR A 68 4.163 -9.568 8.978 1.00 0.00 C ATOM 0 H THR A 68 2.188 -13.107 8.164 1.00 0.00 H new ATOM 0 HA THR A 68 1.512 -10.251 8.467 1.00 0.00 H new ATOM 0 HB THR A 68 4.150 -11.702 8.920 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.787 -10.963 11.116 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.009 -9.513 9.662 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.520 -9.482 7.952 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.470 -8.754 9.191 1.00 0.00 H new ATOM 989 N LEU A 69 2.845 -9.513 6.395 1.00 0.00 N ATOM 990 CA LEU A 69 3.292 -9.156 5.053 1.00 0.00 C ATOM 991 C LEU A 69 4.357 -8.065 5.106 1.00 0.00 C ATOM 992 O LEU A 69 4.219 -7.082 5.835 1.00 0.00 O ATOM 993 CB LEU A 69 2.107 -8.687 4.207 1.00 0.00 C ATOM 994 CG LEU A 69 1.395 -9.767 3.392 1.00 0.00 C ATOM 995 CD1 LEU A 69 0.108 -9.223 2.793 1.00 0.00 C ATOM 996 CD2 LEU A 69 2.310 -10.300 2.299 1.00 0.00 C ATOM 0 H LEU A 69 2.641 -8.716 6.997 1.00 0.00 H new ATOM 0 HA LEU A 69 3.729 -10.043 4.595 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.377 -8.219 4.868 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.458 -7.915 3.522 1.00 0.00 H new ATOM 0 HG LEU A 69 1.141 -10.590 4.060 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.385 -10.006 2.217 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.554 -8.891 3.593 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.338 -8.382 2.139 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.787 -11.068 1.729 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.595 -9.485 1.634 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.204 -10.730 2.751 1.00 0.00 H new ATOM 1008 N THR A 70 5.419 -8.243 4.327 1.00 0.00 N ATOM 1009 CA THR A 70 6.506 -7.274 4.283 1.00 0.00 C ATOM 1010 C THR A 70 6.709 -6.737 2.871 1.00 0.00 C ATOM 1011 O THR A 70 6.983 -7.496 1.941 1.00 0.00 O ATOM 1012 CB THR A 70 7.828 -7.890 4.780 1.00 0.00 C ATOM 1013 OG1 THR A 70 7.649 -8.441 6.090 1.00 0.00 O ATOM 1014 CG2 THR A 70 8.934 -6.847 4.810 1.00 0.00 C ATOM 0 H THR A 70 5.549 -9.050 3.717 1.00 0.00 H new ATOM 0 HA THR A 70 6.224 -6.454 4.943 1.00 0.00 H new ATOM 0 HB THR A 70 8.117 -8.682 4.089 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.493 -8.832 6.398 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.857 -7.306 5.164 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.088 -6.451 3.806 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.651 -6.036 5.481 1.00 0.00 H new ATOM 1022 N LEU A 71 6.573 -5.425 2.717 1.00 0.00 N ATOM 1023 CA LEU A 71 6.742 -4.785 1.417 1.00 0.00 C ATOM 1024 C LEU A 71 7.449 -3.442 1.559 1.00 0.00 C ATOM 1025 O LEU A 71 7.676 -2.961 2.669 1.00 0.00 O ATOM 1026 CB LEU A 71 5.383 -4.590 0.742 1.00 0.00 C ATOM 1027 CG LEU A 71 4.537 -3.426 1.260 1.00 0.00 C ATOM 1028 CD1 LEU A 71 3.421 -3.100 0.280 1.00 0.00 C ATOM 1029 CD2 LEU A 71 3.966 -3.751 2.632 1.00 0.00 C ATOM 0 H LEU A 71 6.346 -4.783 3.476 1.00 0.00 H new ATOM 0 HA LEU A 71 7.359 -5.435 0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.547 -4.446 -0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.808 -5.509 0.855 1.00 0.00 H new ATOM 0 HG LEU A 71 5.178 -2.549 1.354 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.830 -2.269 0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.851 -2.823 -0.683 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.781 -3.973 0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.367 -2.912 2.985 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.340 -4.641 2.564 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.782 -3.934 3.332 1.00 0.00 H new ATOM 1041 N THR A 72 7.794 -2.838 0.425 1.00 0.00 N ATOM 1042 CA THR A 72 8.475 -1.549 0.423 1.00 0.00 C ATOM 1043 C THR A 72 7.578 -0.455 -0.145 1.00 0.00 C ATOM 1044 O THR A 72 7.312 -0.418 -1.347 1.00 0.00 O ATOM 1045 CB THR A 72 9.779 -1.604 -0.395 1.00 0.00 C ATOM 1046 OG1 THR A 72 10.553 -2.745 -0.007 1.00 0.00 O ATOM 1047 CG2 THR A 72 10.598 -0.338 -0.194 1.00 0.00 C ATOM 0 H THR A 72 7.613 -3.221 -0.503 1.00 0.00 H new ATOM 0 HA THR A 72 8.715 -1.316 1.460 1.00 0.00 H new ATOM 0 HB THR A 72 9.517 -1.685 -1.450 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.380 -2.774 -0.533 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.514 -0.400 -0.781 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.017 0.526 -0.517 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.850 -0.231 0.861 1.00 0.00 H new ATOM 1055 N VAL A 73 7.115 0.436 0.726 1.00 0.00 N ATOM 1056 CA VAL A 73 6.250 1.533 0.310 1.00 0.00 C ATOM 1057 C VAL A 73 6.673 2.084 -1.047 1.00 0.00 C ATOM 1058 O VAL A 73 7.845 2.378 -1.287 1.00 0.00 O ATOM 1059 CB VAL A 73 6.258 2.677 1.342 1.00 0.00 C ATOM 1060 CG1 VAL A 73 5.293 3.777 0.927 1.00 0.00 C ATOM 1061 CG2 VAL A 73 5.914 2.148 2.726 1.00 0.00 C ATOM 0 H VAL A 73 7.325 0.419 1.724 1.00 0.00 H new ATOM 0 HA VAL A 73 5.241 1.128 0.235 1.00 0.00 H new ATOM 0 HB VAL A 73 7.261 3.102 1.380 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.312 4.576 1.668 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.590 4.174 -0.044 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.284 3.370 0.859 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.924 2.969 3.442 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.922 1.696 2.707 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.649 1.399 3.022 1.00 0.00 H new ATOM 1071 N PRO A 74 5.699 2.228 -1.957 1.00 0.00 N ATOM 1072 CA PRO A 74 5.947 2.746 -3.306 1.00 0.00 C ATOM 1073 C PRO A 74 6.297 4.230 -3.303 1.00 0.00 C ATOM 1074 O PRO A 74 6.276 4.878 -2.257 1.00 0.00 O ATOM 1075 CB PRO A 74 4.616 2.512 -4.026 1.00 0.00 C ATOM 1076 CG PRO A 74 3.596 2.493 -2.939 1.00 0.00 C ATOM 1077 CD PRO A 74 4.281 1.897 -1.740 1.00 0.00 C ATOM 0 HA PRO A 74 6.797 2.255 -3.781 1.00 0.00 H new ATOM 0 HB2 PRO A 74 4.411 3.303 -4.747 1.00 0.00 H new ATOM 0 HB3 PRO A 74 4.624 1.572 -4.578 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.237 3.499 -2.723 1.00 0.00 H new ATOM 0 HG3 PRO A 74 2.728 1.900 -3.228 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.907 2.324 -0.810 1.00 0.00 H new ATOM 0 HD3 PRO A 74 4.124 0.820 -1.682 1.00 0.00 H new ATOM 1085 N GLU A 75 6.619 4.760 -4.478 1.00 0.00 N ATOM 1086 CA GLU A 75 6.975 6.168 -4.609 1.00 0.00 C ATOM 1087 C GLU A 75 5.821 6.967 -5.208 1.00 0.00 C ATOM 1088 O GLU A 75 5.387 6.706 -6.330 1.00 0.00 O ATOM 1089 CB GLU A 75 8.223 6.324 -5.479 1.00 0.00 C ATOM 1090 CG GLU A 75 9.522 6.075 -4.731 1.00 0.00 C ATOM 1091 CD GLU A 75 10.708 5.909 -5.660 1.00 0.00 C ATOM 1092 OE1 GLU A 75 10.642 6.407 -6.803 1.00 0.00 O ATOM 1093 OE2 GLU A 75 11.704 5.280 -5.244 1.00 0.00 O ATOM 0 H GLU A 75 6.641 4.236 -5.353 1.00 0.00 H new ATOM 0 HA GLU A 75 7.186 6.557 -3.613 1.00 0.00 H new ATOM 0 HB2 GLU A 75 8.159 5.632 -6.319 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.241 7.331 -5.896 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.711 6.907 -4.052 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.418 5.180 -4.118 1.00 0.00 H new ATOM 1100 N TYR A 76 5.328 7.942 -4.451 1.00 0.00 N ATOM 1101 CA TYR A 76 4.223 8.777 -4.905 1.00 0.00 C ATOM 1102 C TYR A 76 4.613 9.567 -6.151 1.00 0.00 C ATOM 1103 O TYR A 76 5.795 9.772 -6.425 1.00 0.00 O ATOM 1104 CB TYR A 76 3.792 9.736 -3.794 1.00 0.00 C ATOM 1105 CG TYR A 76 2.457 10.399 -4.051 1.00 0.00 C ATOM 1106 CD1 TYR A 76 1.285 9.653 -4.085 1.00 0.00 C ATOM 1107 CD2 TYR A 76 2.368 11.769 -4.259 1.00 0.00 C ATOM 1108 CE1 TYR A 76 0.063 10.254 -4.320 1.00 0.00 C ATOM 1109 CE2 TYR A 76 1.150 12.379 -4.493 1.00 0.00 C ATOM 1110 CZ TYR A 76 0.001 11.617 -4.522 1.00 0.00 C ATOM 1111 OH TYR A 76 -1.214 12.219 -4.756 1.00 0.00 O ATOM 0 H TYR A 76 5.677 8.173 -3.521 1.00 0.00 H new ATOM 0 HA TYR A 76 3.387 8.124 -5.158 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.741 9.189 -2.853 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.554 10.506 -3.674 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.330 8.586 -3.925 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.266 12.368 -4.238 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.838 9.660 -4.345 1.00 0.00 H new ATOM 0 HE2 TYR A 76 1.098 13.446 -4.652 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.936 11.586 -4.559 1.00 0.00 H new ATOM 1121 N SER A 77 3.609 10.007 -6.903 1.00 0.00 N ATOM 1122 CA SER A 77 3.845 10.771 -8.122 1.00 0.00 C ATOM 1123 C SER A 77 4.361 12.169 -7.795 1.00 0.00 C ATOM 1124 O SER A 77 5.348 12.628 -8.369 1.00 0.00 O ATOM 1125 CB SER A 77 2.559 10.870 -8.945 1.00 0.00 C ATOM 1126 OG SER A 77 2.830 11.309 -10.264 1.00 0.00 O ATOM 0 H SER A 77 2.625 9.847 -6.689 1.00 0.00 H new ATOM 0 HA SER A 77 4.603 10.250 -8.707 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.068 9.898 -8.976 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.868 11.561 -8.463 1.00 0.00 H new ATOM 0 HG SER A 77 1.992 11.362 -10.770 1.00 0.00 H new ATOM 1132 N ASN A 78 3.686 12.841 -6.869 1.00 0.00 N ATOM 1133 CA ASN A 78 4.075 14.188 -6.465 1.00 0.00 C ATOM 1134 C ASN A 78 4.819 14.162 -5.133 1.00 0.00 C ATOM 1135 O ASN A 78 4.221 14.337 -4.071 1.00 0.00 O ATOM 1136 CB ASN A 78 2.842 15.086 -6.356 1.00 0.00 C ATOM 1137 CG ASN A 78 3.171 16.550 -6.579 1.00 0.00 C ATOM 1138 OD1 ASN A 78 4.334 16.917 -6.744 1.00 0.00 O ATOM 1139 ND2 ASN A 78 2.145 17.393 -6.585 1.00 0.00 N ATOM 0 H ASN A 78 2.867 12.475 -6.384 1.00 0.00 H new ATOM 0 HA ASN A 78 4.743 14.591 -7.226 1.00 0.00 H new ATOM 0 HB2 ASN A 78 2.099 14.768 -7.087 1.00 0.00 H new ATOM 0 HB3 ASN A 78 2.393 14.963 -5.371 1.00 0.00 H new ATOM 0 HD21 ASN A 78 2.305 18.390 -6.731 1.00 0.00 H new ATOM 0 HD22 ASN A 78 1.197 17.044 -6.444 1.00 0.00 H new ATOM 1146 N LYS A 79 6.128 13.944 -5.197 1.00 0.00 N ATOM 1147 CA LYS A 79 6.956 13.897 -3.998 1.00 0.00 C ATOM 1148 C LYS A 79 7.274 15.304 -3.501 1.00 0.00 C ATOM 1149 O LYS A 79 7.295 15.557 -2.296 1.00 0.00 O ATOM 1150 CB LYS A 79 8.255 13.139 -4.279 1.00 0.00 C ATOM 1151 CG LYS A 79 8.061 11.641 -4.446 1.00 0.00 C ATOM 1152 CD LYS A 79 9.386 10.927 -4.652 1.00 0.00 C ATOM 1153 CE LYS A 79 9.185 9.542 -5.248 1.00 0.00 C ATOM 1154 NZ LYS A 79 9.158 9.577 -6.737 1.00 0.00 N ATOM 0 H LYS A 79 6.639 13.797 -6.068 1.00 0.00 H new ATOM 0 HA LYS A 79 6.398 13.373 -3.222 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.712 13.541 -5.183 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.954 13.318 -3.462 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.562 11.237 -3.565 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.408 11.450 -5.297 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.021 11.519 -5.311 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.907 10.842 -3.698 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.987 8.883 -4.915 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.251 9.119 -4.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.280 9.136 -7.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.199 10.564 -7.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.976 9.055 -7.111 1.00 0.00 H new ATOM 1168 N ARG A 80 7.518 16.216 -4.437 1.00 0.00 N ATOM 1169 CA ARG A 80 7.835 17.597 -4.093 1.00 0.00 C ATOM 1170 C ARG A 80 6.575 18.359 -3.691 1.00 0.00 C ATOM 1171 O ARG A 80 6.285 19.428 -4.229 1.00 0.00 O ATOM 1172 CB ARG A 80 8.511 18.296 -5.274 1.00 0.00 C ATOM 1173 CG ARG A 80 9.932 17.821 -5.530 1.00 0.00 C ATOM 1174 CD ARG A 80 10.440 18.290 -6.885 1.00 0.00 C ATOM 1175 NE ARG A 80 11.703 17.651 -7.246 1.00 0.00 N ATOM 1176 CZ ARG A 80 12.883 18.034 -6.770 1.00 0.00 C ATOM 1177 NH1 ARG A 80 12.960 19.046 -5.917 1.00 0.00 N ATOM 1178 NH2 ARG A 80 13.988 17.404 -7.146 1.00 0.00 N ATOM 0 H ARG A 80 7.502 16.023 -5.439 1.00 0.00 H new ATOM 0 HA ARG A 80 8.520 17.587 -3.245 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.915 18.133 -6.172 1.00 0.00 H new ATOM 0 HB3 ARG A 80 8.523 19.370 -5.091 1.00 0.00 H new ATOM 0 HG2 ARG A 80 10.589 18.195 -4.745 1.00 0.00 H new ATOM 0 HG3 ARG A 80 9.967 16.733 -5.484 1.00 0.00 H new ATOM 0 HD2 ARG A 80 9.692 18.072 -7.648 1.00 0.00 H new ATOM 0 HD3 ARG A 80 10.573 19.372 -6.868 1.00 0.00 H new ATOM 0 HE ARG A 80 11.678 16.868 -7.899 1.00 0.00 H new ATOM 0 HH11 ARG A 80 12.112 19.532 -5.625 1.00 0.00 H new ATOM 0 HH12 ARG A 80 13.867 19.338 -5.553 1.00 0.00 H new ATOM 0 HH21 ARG A 80 13.933 16.624 -7.801 1.00 0.00 H new ATOM 0 HH22 ARG A 80 14.893 17.699 -6.780 1.00 0.00 H new ATOM 1192 N VAL A 81 5.831 17.802 -2.741 1.00 0.00 N ATOM 1193 CA VAL A 81 4.603 18.429 -2.265 1.00 0.00 C ATOM 1194 C VAL A 81 4.806 19.063 -0.894 1.00 0.00 C ATOM 1195 O VAL A 81 5.415 18.466 -0.006 1.00 0.00 O ATOM 1196 CB VAL A 81 3.449 17.412 -2.183 1.00 0.00 C ATOM 1197 CG1 VAL A 81 2.975 17.029 -3.577 1.00 0.00 C ATOM 1198 CG2 VAL A 81 3.879 16.180 -1.400 1.00 0.00 C ATOM 0 H VAL A 81 6.057 16.918 -2.286 1.00 0.00 H new ATOM 0 HA VAL A 81 4.343 19.204 -2.986 1.00 0.00 H new ATOM 0 HB VAL A 81 2.615 17.876 -1.656 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.160 16.310 -3.499 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.625 17.919 -4.100 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.800 16.583 -4.132 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.051 15.472 -1.352 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.729 15.712 -1.897 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.165 16.473 -0.390 1.00 0.00 H new ATOM 1208 N SER A 82 4.290 20.277 -0.728 1.00 0.00 N ATOM 1209 CA SER A 82 4.417 20.995 0.535 1.00 0.00 C ATOM 1210 C SER A 82 3.471 20.419 1.584 1.00 0.00 C ATOM 1211 O SER A 82 3.691 20.574 2.786 1.00 0.00 O ATOM 1212 CB SER A 82 4.127 22.483 0.332 1.00 0.00 C ATOM 1213 OG SER A 82 4.581 23.247 1.435 1.00 0.00 O ATOM 0 H SER A 82 3.780 20.784 -1.452 1.00 0.00 H new ATOM 0 HA SER A 82 5.441 20.877 0.890 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.613 22.830 -0.580 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.056 22.633 0.198 1.00 0.00 H new ATOM 0 HG SER A 82 4.385 24.195 1.279 1.00 0.00 H new ATOM 1219 N ARG A 83 2.417 19.756 1.121 1.00 0.00 N ATOM 1220 CA ARG A 83 1.435 19.158 2.018 1.00 0.00 C ATOM 1221 C ARG A 83 1.337 17.652 1.791 1.00 0.00 C ATOM 1222 O ARG A 83 1.619 17.144 0.706 1.00 0.00 O ATOM 1223 CB ARG A 83 0.065 19.806 1.814 1.00 0.00 C ATOM 1224 CG ARG A 83 -0.420 19.765 0.374 1.00 0.00 C ATOM 1225 CD ARG A 83 -1.129 18.456 0.062 1.00 0.00 C ATOM 1226 NE ARG A 83 -1.997 18.569 -1.107 1.00 0.00 N ATOM 1227 CZ ARG A 83 -3.139 19.247 -1.111 1.00 0.00 C ATOM 1228 NH1 ARG A 83 -3.548 19.870 -0.015 1.00 0.00 N ATOM 1229 NH2 ARG A 83 -3.875 19.304 -2.214 1.00 0.00 N ATOM 0 H ARG A 83 2.221 19.619 0.129 1.00 0.00 H new ATOM 0 HA ARG A 83 1.762 19.333 3.043 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.664 19.302 2.448 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.111 20.844 2.144 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -1.098 20.599 0.193 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.427 19.891 -0.300 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.389 17.675 -0.110 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.721 18.150 0.925 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.711 18.102 -1.967 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.985 19.830 0.835 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -4.426 20.390 -0.021 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.564 18.827 -3.060 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.752 19.825 -2.216 1.00 0.00 H new ATOM 1243 N PRO A 84 0.927 16.921 2.838 1.00 0.00 N ATOM 1244 CA PRO A 84 0.782 15.463 2.777 1.00 0.00 C ATOM 1245 C PRO A 84 -0.385 15.033 1.895 1.00 0.00 C ATOM 1246 O PRO A 84 -1.461 15.631 1.937 1.00 0.00 O ATOM 1247 CB PRO A 84 0.524 15.072 4.234 1.00 0.00 C ATOM 1248 CG PRO A 84 -0.067 16.290 4.855 1.00 0.00 C ATOM 1249 CD PRO A 84 0.573 17.461 4.162 1.00 0.00 C ATOM 0 HA PRO A 84 1.659 14.984 2.341 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -0.157 14.223 4.301 1.00 0.00 H new ATOM 0 HB3 PRO A 84 1.447 14.781 4.735 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -1.150 16.306 4.729 1.00 0.00 H new ATOM 0 HG3 PRO A 84 0.129 16.316 5.927 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -0.113 18.305 4.082 1.00 0.00 H new ATOM 0 HD3 PRO A 84 1.452 17.815 4.700 1.00 0.00 H new ATOM 1257 N VAL A 85 -0.166 13.993 1.098 1.00 0.00 N ATOM 1258 CA VAL A 85 -1.200 13.482 0.206 1.00 0.00 C ATOM 1259 C VAL A 85 -1.870 12.244 0.794 1.00 0.00 C ATOM 1260 O VAL A 85 -1.208 11.389 1.381 1.00 0.00 O ATOM 1261 CB VAL A 85 -0.625 13.131 -1.179 1.00 0.00 C ATOM 1262 CG1 VAL A 85 -1.727 12.647 -2.108 1.00 0.00 C ATOM 1263 CG2 VAL A 85 0.097 14.331 -1.774 1.00 0.00 C ATOM 0 H VAL A 85 0.719 13.487 1.051 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.940 14.274 0.093 1.00 0.00 H new ATOM 0 HB VAL A 85 0.097 12.323 -1.060 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.301 12.404 -3.082 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.196 11.759 -1.685 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.475 13.431 -2.225 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.497 14.066 -2.753 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.602 15.160 -1.880 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.914 14.627 -1.116 1.00 0.00 H new ATOM 1273 N GLN A 86 -3.186 12.157 0.632 1.00 0.00 N ATOM 1274 CA GLN A 86 -3.945 11.024 1.147 1.00 0.00 C ATOM 1275 C GLN A 86 -4.142 9.964 0.067 1.00 0.00 C ATOM 1276 O GLN A 86 -4.835 10.194 -0.924 1.00 0.00 O ATOM 1277 CB GLN A 86 -5.304 11.490 1.674 1.00 0.00 C ATOM 1278 CG GLN A 86 -6.203 10.352 2.127 1.00 0.00 C ATOM 1279 CD GLN A 86 -5.887 9.883 3.534 1.00 0.00 C ATOM 1280 OE1 GLN A 86 -5.696 10.692 4.442 1.00 0.00 O ATOM 1281 NE2 GLN A 86 -5.829 8.569 3.721 1.00 0.00 N ATOM 0 H GLN A 86 -3.748 12.857 0.148 1.00 0.00 H new ATOM 0 HA GLN A 86 -3.378 10.582 1.966 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -5.146 12.172 2.510 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.813 12.055 0.893 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.243 10.675 2.081 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.098 9.515 1.437 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -5.994 7.935 2.939 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.619 8.194 4.646 1.00 0.00 H new ATOM 1290 N VAL A 87 -3.527 8.803 0.266 1.00 0.00 N ATOM 1291 CA VAL A 87 -3.635 7.707 -0.690 1.00 0.00 C ATOM 1292 C VAL A 87 -4.272 6.480 -0.049 1.00 0.00 C ATOM 1293 O VAL A 87 -4.604 6.487 1.136 1.00 0.00 O ATOM 1294 CB VAL A 87 -2.256 7.319 -1.257 1.00 0.00 C ATOM 1295 CG1 VAL A 87 -1.624 8.499 -1.980 1.00 0.00 C ATOM 1296 CG2 VAL A 87 -1.347 6.815 -0.147 1.00 0.00 C ATOM 0 H VAL A 87 -2.949 8.597 1.081 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.269 8.058 -1.504 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.393 6.513 -1.978 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -0.651 8.206 -2.374 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.269 8.810 -2.802 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.499 9.328 -1.283 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.377 6.545 -0.565 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.215 7.598 0.599 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.796 5.939 0.322 1.00 0.00 H new ATOM 1306 N TYR A 88 -4.441 5.426 -0.841 1.00 0.00 N ATOM 1307 CA TYR A 88 -5.041 4.191 -0.352 1.00 0.00 C ATOM 1308 C TYR A 88 -4.422 2.976 -1.037 1.00 0.00 C ATOM 1309 O TYR A 88 -4.067 3.026 -2.215 1.00 0.00 O ATOM 1310 CB TYR A 88 -6.552 4.206 -0.585 1.00 0.00 C ATOM 1311 CG TYR A 88 -7.214 5.504 -0.179 1.00 0.00 C ATOM 1312 CD1 TYR A 88 -7.524 5.762 1.150 1.00 0.00 C ATOM 1313 CD2 TYR A 88 -7.531 6.470 -1.125 1.00 0.00 C ATOM 1314 CE1 TYR A 88 -8.129 6.946 1.526 1.00 0.00 C ATOM 1315 CE2 TYR A 88 -8.135 7.657 -0.759 1.00 0.00 C ATOM 1316 CZ TYR A 88 -8.432 7.891 0.567 1.00 0.00 C ATOM 1317 OH TYR A 88 -9.036 9.071 0.936 1.00 0.00 O ATOM 0 H TYR A 88 -4.171 5.403 -1.824 1.00 0.00 H new ATOM 0 HA TYR A 88 -4.846 4.121 0.718 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -6.750 4.021 -1.641 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.005 3.387 -0.027 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -7.288 5.024 1.903 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.301 6.290 -2.165 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -8.363 7.131 2.564 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -8.373 8.398 -1.508 1.00 0.00 H new ATOM 0 HH TYR A 88 -9.180 9.627 0.142 1.00 0.00 H new ATOM 1327 N PHE A 89 -4.295 1.884 -0.290 1.00 0.00 N ATOM 1328 CA PHE A 89 -3.719 0.655 -0.823 1.00 0.00 C ATOM 1329 C PHE A 89 -4.471 -0.567 -0.306 1.00 0.00 C ATOM 1330 O PHE A 89 -5.154 -0.503 0.717 1.00 0.00 O ATOM 1331 CB PHE A 89 -2.239 0.555 -0.446 1.00 0.00 C ATOM 1332 CG PHE A 89 -2.002 0.480 1.035 1.00 0.00 C ATOM 1333 CD1 PHE A 89 -1.847 1.634 1.785 1.00 0.00 C ATOM 1334 CD2 PHE A 89 -1.934 -0.746 1.677 1.00 0.00 C ATOM 1335 CE1 PHE A 89 -1.629 1.568 3.149 1.00 0.00 C ATOM 1336 CE2 PHE A 89 -1.717 -0.819 3.040 1.00 0.00 C ATOM 1337 CZ PHE A 89 -1.562 0.340 3.777 1.00 0.00 C ATOM 0 H PHE A 89 -4.583 1.825 0.687 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.809 0.682 -1.909 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.810 -0.328 -0.920 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.711 1.420 -0.847 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.897 2.597 1.299 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.052 -1.655 1.106 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.511 2.476 3.722 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.669 -1.781 3.529 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.389 0.285 4.842 1.00 0.00 H new ATOM 1347 N TYR A 90 -4.342 -1.680 -1.020 1.00 0.00 N ATOM 1348 CA TYR A 90 -5.011 -2.917 -0.635 1.00 0.00 C ATOM 1349 C TYR A 90 -4.284 -4.130 -1.208 1.00 0.00 C ATOM 1350 O TYR A 90 -3.346 -3.993 -1.993 1.00 0.00 O ATOM 1351 CB TYR A 90 -6.463 -2.906 -1.115 1.00 0.00 C ATOM 1352 CG TYR A 90 -6.604 -2.864 -2.620 1.00 0.00 C ATOM 1353 CD1 TYR A 90 -6.515 -1.663 -3.313 1.00 0.00 C ATOM 1354 CD2 TYR A 90 -6.824 -4.026 -3.349 1.00 0.00 C ATOM 1355 CE1 TYR A 90 -6.643 -1.620 -4.687 1.00 0.00 C ATOM 1356 CE2 TYR A 90 -6.952 -3.993 -4.724 1.00 0.00 C ATOM 1357 CZ TYR A 90 -6.862 -2.788 -5.389 1.00 0.00 C ATOM 1358 OH TYR A 90 -6.989 -2.749 -6.758 1.00 0.00 O ATOM 0 H TYR A 90 -3.780 -1.751 -1.868 1.00 0.00 H new ATOM 0 HA TYR A 90 -4.995 -2.986 0.453 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -6.969 -3.794 -0.736 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -6.972 -2.042 -0.687 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -6.343 -0.747 -2.767 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -6.896 -4.971 -2.832 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -6.572 -0.678 -5.210 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -7.122 -4.906 -5.275 1.00 0.00 H new ATOM 0 HH TYR A 90 -7.138 -3.656 -7.099 1.00 0.00 H new ATOM 1368 N VAL A 91 -4.724 -5.319 -0.807 1.00 0.00 N ATOM 1369 CA VAL A 91 -4.118 -6.557 -1.281 1.00 0.00 C ATOM 1370 C VAL A 91 -5.102 -7.366 -2.118 1.00 0.00 C ATOM 1371 O VAL A 91 -6.263 -7.530 -1.743 1.00 0.00 O ATOM 1372 CB VAL A 91 -3.625 -7.425 -0.107 1.00 0.00 C ATOM 1373 CG1 VAL A 91 -2.926 -8.674 -0.623 1.00 0.00 C ATOM 1374 CG2 VAL A 91 -2.702 -6.622 0.797 1.00 0.00 C ATOM 0 H VAL A 91 -5.498 -5.450 -0.155 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.266 -6.276 -1.899 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.489 -7.738 0.480 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.585 -9.275 0.220 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.622 -9.257 -1.226 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.070 -8.386 -1.233 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.363 -7.250 1.621 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.841 -6.278 0.224 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.240 -5.761 1.194 1.00 0.00 H new ATOM 1384 N SER A 92 -4.630 -7.871 -3.253 1.00 0.00 N ATOM 1385 CA SER A 92 -5.469 -8.661 -4.146 1.00 0.00 C ATOM 1386 C SER A 92 -4.973 -10.101 -4.226 1.00 0.00 C ATOM 1387 O SER A 92 -3.838 -10.357 -4.627 1.00 0.00 O ATOM 1388 CB SER A 92 -5.491 -8.038 -5.544 1.00 0.00 C ATOM 1389 OG SER A 92 -6.119 -8.901 -6.476 1.00 0.00 O ATOM 0 H SER A 92 -3.670 -7.747 -3.576 1.00 0.00 H new ATOM 0 HA SER A 92 -6.482 -8.666 -3.742 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.019 -7.085 -5.513 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.472 -7.827 -5.868 1.00 0.00 H new ATOM 0 HG SER A 92 -6.122 -8.480 -7.361 1.00 0.00 H new ATOM 1395 N ASN A 93 -5.832 -11.039 -3.841 1.00 0.00 N ATOM 1396 CA ASN A 93 -5.482 -12.454 -3.867 1.00 0.00 C ATOM 1397 C ASN A 93 -6.485 -13.247 -4.700 1.00 0.00 C ATOM 1398 O ASN A 93 -7.582 -13.558 -4.239 1.00 0.00 O ATOM 1399 CB ASN A 93 -5.427 -13.015 -2.445 1.00 0.00 C ATOM 1400 CG ASN A 93 -4.246 -12.480 -1.658 1.00 0.00 C ATOM 1401 OD1 ASN A 93 -3.502 -11.625 -2.138 1.00 0.00 O ATOM 1402 ND2 ASN A 93 -4.069 -12.984 -0.442 1.00 0.00 N ATOM 0 H ASN A 93 -6.776 -10.844 -3.507 1.00 0.00 H new ATOM 0 HA ASN A 93 -4.498 -12.550 -4.326 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.351 -12.766 -1.923 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.369 -14.103 -2.488 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -3.291 -12.664 0.135 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.711 -13.691 -0.085 1.00 0.00 H new ATOM 1409 N GLY A 94 -6.099 -13.571 -5.931 1.00 0.00 N ATOM 1410 CA GLY A 94 -6.975 -14.326 -6.808 1.00 0.00 C ATOM 1411 C GLY A 94 -7.510 -13.488 -7.953 1.00 0.00 C ATOM 1412 O GLY A 94 -6.940 -12.451 -8.291 1.00 0.00 O ATOM 0 H GLY A 94 -5.196 -13.324 -6.336 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.432 -15.181 -7.210 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.810 -14.722 -6.230 1.00 0.00 H new ATOM 1416 N ARG A 95 -8.606 -13.940 -8.553 1.00 0.00 N ATOM 1417 CA ARG A 95 -9.215 -13.227 -9.669 1.00 0.00 C ATOM 1418 C ARG A 95 -10.276 -12.248 -9.174 1.00 0.00 C ATOM 1419 O ARG A 95 -10.344 -11.107 -9.632 1.00 0.00 O ATOM 1420 CB ARG A 95 -9.839 -14.216 -10.655 1.00 0.00 C ATOM 1421 CG ARG A 95 -10.936 -15.074 -10.046 1.00 0.00 C ATOM 1422 CD ARG A 95 -11.625 -15.928 -11.098 1.00 0.00 C ATOM 1423 NE ARG A 95 -12.523 -16.913 -10.502 1.00 0.00 N ATOM 1424 CZ ARG A 95 -12.106 -18.036 -9.929 1.00 0.00 C ATOM 1425 NH1 ARG A 95 -10.811 -18.315 -9.875 1.00 0.00 N ATOM 1426 NH2 ARG A 95 -12.984 -18.883 -9.408 1.00 0.00 N ATOM 0 H ARG A 95 -9.090 -14.797 -8.285 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.433 -12.663 -10.177 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.249 -13.663 -11.500 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -9.057 -14.866 -11.048 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -10.511 -15.717 -9.275 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -11.671 -14.434 -9.557 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -12.189 -15.285 -11.774 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -10.873 -16.440 -11.699 1.00 0.00 H new ATOM 0 HE ARG A 95 -13.526 -16.728 -10.527 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -10.132 -17.666 -10.274 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -10.493 -19.178 -9.434 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -13.981 -18.672 -9.447 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -12.662 -19.745 -8.968 1.00 0.00 H new ATOM 1440 N ARG A 96 -11.103 -12.703 -8.238 1.00 0.00 N ATOM 1441 CA ARG A 96 -12.162 -11.869 -7.683 1.00 0.00 C ATOM 1442 C ARG A 96 -12.169 -11.941 -6.159 1.00 0.00 C ATOM 1443 O ARG A 96 -13.228 -11.994 -5.534 1.00 0.00 O ATOM 1444 CB ARG A 96 -13.523 -12.302 -8.231 1.00 0.00 C ATOM 1445 CG ARG A 96 -13.902 -11.616 -9.533 1.00 0.00 C ATOM 1446 CD ARG A 96 -15.410 -11.568 -9.719 1.00 0.00 C ATOM 1447 NE ARG A 96 -16.000 -12.904 -9.751 1.00 0.00 N ATOM 1448 CZ ARG A 96 -16.050 -13.660 -10.842 1.00 0.00 C ATOM 1449 NH1 ARG A 96 -15.546 -13.215 -11.984 1.00 0.00 N ATOM 1450 NH2 ARG A 96 -16.603 -14.865 -10.791 1.00 0.00 N ATOM 0 H ARG A 96 -11.060 -13.645 -7.848 1.00 0.00 H new ATOM 0 HA ARG A 96 -11.970 -10.838 -7.980 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -13.516 -13.381 -8.387 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -14.289 -12.093 -7.484 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -13.501 -10.603 -9.542 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -13.448 -12.146 -10.370 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -15.857 -10.993 -8.908 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -15.644 -11.046 -10.647 1.00 0.00 H new ATOM 0 HE ARG A 96 -16.395 -13.277 -8.888 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -15.118 -12.290 -12.027 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -15.586 -13.798 -12.820 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -16.990 -15.212 -9.913 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -16.641 -15.445 -11.629 1.00 0.00 H new ATOM 1464 N LYS A 97 -10.979 -11.944 -5.567 1.00 0.00 N ATOM 1465 CA LYS A 97 -10.846 -12.010 -4.116 1.00 0.00 C ATOM 1466 C LYS A 97 -9.726 -11.096 -3.631 1.00 0.00 C ATOM 1467 O LYS A 97 -8.545 -11.408 -3.787 1.00 0.00 O ATOM 1468 CB LYS A 97 -10.573 -13.449 -3.673 1.00 0.00 C ATOM 1469 CG LYS A 97 -11.767 -14.373 -3.838 1.00 0.00 C ATOM 1470 CD LYS A 97 -11.642 -15.607 -2.959 1.00 0.00 C ATOM 1471 CE LYS A 97 -12.744 -16.613 -3.252 1.00 0.00 C ATOM 1472 NZ LYS A 97 -13.046 -17.465 -2.069 1.00 0.00 N ATOM 0 H LYS A 97 -10.093 -11.901 -6.070 1.00 0.00 H new ATOM 0 HA LYS A 97 -11.784 -11.673 -3.674 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.736 -13.845 -4.248 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -10.268 -13.446 -2.627 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -12.681 -13.836 -3.585 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -11.853 -14.676 -4.882 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -10.670 -16.073 -3.120 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -11.685 -15.314 -1.910 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -13.646 -16.084 -3.558 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -12.446 -17.245 -4.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -13.802 -18.137 -2.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -12.192 -17.989 -1.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -13.355 -16.864 -1.278 1.00 0.00 H new ATOM 1486 N ARG A 98 -10.104 -9.966 -3.040 1.00 0.00 N ATOM 1487 CA ARG A 98 -9.131 -9.007 -2.532 1.00 0.00 C ATOM 1488 C ARG A 98 -9.626 -8.363 -1.240 1.00 0.00 C ATOM 1489 O ARG A 98 -10.736 -8.637 -0.784 1.00 0.00 O ATOM 1490 CB ARG A 98 -8.852 -7.927 -3.579 1.00 0.00 C ATOM 1491 CG ARG A 98 -10.106 -7.236 -4.089 1.00 0.00 C ATOM 1492 CD ARG A 98 -9.814 -5.813 -4.538 1.00 0.00 C ATOM 1493 NE ARG A 98 -9.466 -5.747 -5.955 1.00 0.00 N ATOM 1494 CZ ARG A 98 -10.363 -5.621 -6.927 1.00 0.00 C ATOM 1495 NH1 ARG A 98 -11.654 -5.547 -6.636 1.00 0.00 N ATOM 1496 NH2 ARG A 98 -9.968 -5.567 -8.193 1.00 0.00 N ATOM 0 H ARG A 98 -11.077 -9.693 -2.902 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.206 -9.544 -2.319 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.185 -7.180 -3.149 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -8.327 -8.377 -4.422 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -10.522 -7.803 -4.921 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -10.861 -7.223 -3.303 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -10.686 -5.187 -4.349 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.995 -5.406 -3.944 1.00 0.00 H new ATOM 0 HE ARG A 98 -8.480 -5.801 -6.212 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -11.961 -5.587 -5.664 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -12.341 -5.450 -7.384 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -8.975 -5.622 -8.420 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -10.657 -5.470 -8.939 1.00 0.00 H new ATOM 1510 N SER A 99 -8.794 -7.507 -0.655 1.00 0.00 N ATOM 1511 CA SER A 99 -9.146 -6.827 0.586 1.00 0.00 C ATOM 1512 C SER A 99 -9.500 -5.366 0.324 1.00 0.00 C ATOM 1513 O SER A 99 -9.164 -4.796 -0.714 1.00 0.00 O ATOM 1514 CB SER A 99 -7.989 -6.912 1.584 1.00 0.00 C ATOM 1515 OG SER A 99 -8.104 -8.064 2.401 1.00 0.00 O ATOM 0 H SER A 99 -7.872 -7.268 -1.020 1.00 0.00 H new ATOM 0 HA SER A 99 -10.019 -7.324 1.009 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.041 -6.937 1.046 1.00 0.00 H new ATOM 0 HB3 SER A 99 -7.977 -6.019 2.209 1.00 0.00 H new ATOM 0 HG SER A 99 -7.352 -8.096 3.029 1.00 0.00 H new ATOM 1521 N PRO A 100 -10.196 -4.745 1.288 1.00 0.00 N ATOM 1522 CA PRO A 100 -10.611 -3.343 1.186 1.00 0.00 C ATOM 1523 C PRO A 100 -9.432 -2.381 1.281 1.00 0.00 C ATOM 1524 O PRO A 100 -8.357 -2.745 1.758 1.00 0.00 O ATOM 1525 CB PRO A 100 -11.548 -3.163 2.383 1.00 0.00 C ATOM 1526 CG PRO A 100 -11.110 -4.194 3.365 1.00 0.00 C ATOM 1527 CD PRO A 100 -10.631 -5.364 2.551 1.00 0.00 C ATOM 0 HA PRO A 100 -11.078 -3.124 0.226 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -11.468 -2.159 2.801 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -12.590 -3.307 2.096 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -10.314 -3.811 4.004 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -11.932 -4.484 4.019 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -9.813 -5.889 3.044 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -11.425 -6.093 2.389 1.00 0.00 H new ATOM 1535 N THR A 101 -9.641 -1.150 0.825 1.00 0.00 N ATOM 1536 CA THR A 101 -8.595 -0.135 0.859 1.00 0.00 C ATOM 1537 C THR A 101 -8.414 0.422 2.266 1.00 0.00 C ATOM 1538 O THR A 101 -9.389 0.647 2.984 1.00 0.00 O ATOM 1539 CB THR A 101 -8.908 1.026 -0.104 1.00 0.00 C ATOM 1540 OG1 THR A 101 -10.270 1.439 0.052 1.00 0.00 O ATOM 1541 CG2 THR A 101 -8.659 0.614 -1.547 1.00 0.00 C ATOM 0 H THR A 101 -10.525 -0.832 0.428 1.00 0.00 H new ATOM 0 HA THR A 101 -7.672 -0.622 0.543 1.00 0.00 H new ATOM 0 HB THR A 101 -8.247 1.858 0.139 1.00 0.00 H new ATOM 0 HG1 THR A 101 -10.460 2.178 -0.562 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.887 1.450 -2.209 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.614 0.329 -1.669 1.00 0.00 H new ATOM 0 HG23 THR A 101 -9.298 -0.233 -1.799 1.00 0.00 H new ATOM 1549 N GLN A 102 -7.162 0.642 2.654 1.00 0.00 N ATOM 1550 CA GLN A 102 -6.855 1.173 3.977 1.00 0.00 C ATOM 1551 C GLN A 102 -6.429 2.635 3.891 1.00 0.00 C ATOM 1552 O GLN A 102 -5.631 3.010 3.032 1.00 0.00 O ATOM 1553 CB GLN A 102 -5.751 0.346 4.638 1.00 0.00 C ATOM 1554 CG GLN A 102 -6.097 -1.128 4.778 1.00 0.00 C ATOM 1555 CD GLN A 102 -7.494 -1.351 5.322 1.00 0.00 C ATOM 1556 OE1 GLN A 102 -8.457 -1.532 4.425 1.00 0.00 O flip ATOM 1557 NE2 GLN A 102 -7.707 -1.360 6.535 1.00 0.00 N flip ATOM 0 H GLN A 102 -6.344 0.461 2.072 1.00 0.00 H new ATOM 0 HA GLN A 102 -7.758 1.112 4.584 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -4.836 0.442 4.053 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -5.542 0.757 5.626 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -6.009 -1.612 3.805 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -5.374 -1.606 5.439 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -6.937 -1.217 7.189 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -8.653 -1.511 6.886 1.00 0.00 H new ATOM 1566 N SER A 103 -6.967 3.457 4.787 1.00 0.00 N ATOM 1567 CA SER A 103 -6.646 4.879 4.810 1.00 0.00 C ATOM 1568 C SER A 103 -5.154 5.095 5.046 1.00 0.00 C ATOM 1569 O SER A 103 -4.606 4.665 6.061 1.00 0.00 O ATOM 1570 CB SER A 103 -7.454 5.589 5.898 1.00 0.00 C ATOM 1571 OG SER A 103 -7.091 5.126 7.187 1.00 0.00 O ATOM 0 H SER A 103 -7.627 3.162 5.506 1.00 0.00 H new ATOM 0 HA SER A 103 -6.908 5.301 3.840 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.289 6.665 5.835 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.518 5.420 5.734 1.00 0.00 H new ATOM 0 HG SER A 103 -6.291 4.563 7.119 1.00 0.00 H new ATOM 1577 N PHE A 104 -4.503 5.765 4.101 1.00 0.00 N ATOM 1578 CA PHE A 104 -3.074 6.038 4.204 1.00 0.00 C ATOM 1579 C PHE A 104 -2.758 7.460 3.749 1.00 0.00 C ATOM 1580 O PHE A 104 -3.536 8.078 3.022 1.00 0.00 O ATOM 1581 CB PHE A 104 -2.280 5.034 3.367 1.00 0.00 C ATOM 1582 CG PHE A 104 -0.885 4.803 3.873 1.00 0.00 C ATOM 1583 CD1 PHE A 104 -0.671 4.200 5.102 1.00 0.00 C ATOM 1584 CD2 PHE A 104 0.213 5.187 3.120 1.00 0.00 C ATOM 1585 CE1 PHE A 104 0.611 3.986 5.571 1.00 0.00 C ATOM 1586 CE2 PHE A 104 1.498 4.976 3.584 1.00 0.00 C ATOM 1587 CZ PHE A 104 1.697 4.373 4.810 1.00 0.00 C ATOM 0 H PHE A 104 -4.942 6.129 3.255 1.00 0.00 H new ATOM 0 HA PHE A 104 -2.784 5.937 5.250 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -2.814 4.084 3.351 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -2.230 5.390 2.338 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -1.516 3.894 5.700 1.00 0.00 H new ATOM 0 HD2 PHE A 104 0.063 5.657 2.159 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.764 3.517 6.532 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.345 5.282 2.988 1.00 0.00 H new ATOM 0 HZ PHE A 104 2.700 4.204 5.173 1.00 0.00 H new ATOM 1597 N ARG A 105 -1.612 7.973 4.184 1.00 0.00 N ATOM 1598 CA ARG A 105 -1.193 9.322 3.823 1.00 0.00 C ATOM 1599 C ARG A 105 0.329 9.437 3.821 1.00 0.00 C ATOM 1600 O ARG A 105 1.011 8.793 4.619 1.00 0.00 O ATOM 1601 CB ARG A 105 -1.790 10.341 4.795 1.00 0.00 C ATOM 1602 CG ARG A 105 -1.560 11.785 4.381 1.00 0.00 C ATOM 1603 CD ARG A 105 -2.240 12.754 5.336 1.00 0.00 C ATOM 1604 NE ARG A 105 -3.692 12.602 5.328 1.00 0.00 N ATOM 1605 CZ ARG A 105 -4.494 13.153 6.232 1.00 0.00 C ATOM 1606 NH1 ARG A 105 -3.987 13.889 7.212 1.00 0.00 N ATOM 1607 NH2 ARG A 105 -5.806 12.969 6.158 1.00 0.00 N ATOM 0 H ARG A 105 -0.957 7.475 4.787 1.00 0.00 H new ATOM 0 HA ARG A 105 -1.557 9.532 2.817 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -2.862 10.163 4.882 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -1.360 10.183 5.784 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.490 11.991 4.353 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -1.941 11.940 3.371 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -1.864 12.591 6.346 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.981 13.776 5.060 1.00 0.00 H new ATOM 0 HE ARG A 105 -4.114 12.042 4.587 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -2.979 14.033 7.273 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -4.605 14.311 7.905 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -6.200 12.404 5.406 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -6.420 13.393 6.853 1.00 0.00 H new ATOM 1621 N PHE A 106 0.854 10.260 2.920 1.00 0.00 N ATOM 1622 CA PHE A 106 2.295 10.458 2.813 1.00 0.00 C ATOM 1623 C PHE A 106 2.693 11.841 3.319 1.00 0.00 C ATOM 1624 O PHE A 106 2.129 12.854 2.901 1.00 0.00 O ATOM 1625 CB PHE A 106 2.748 10.284 1.362 1.00 0.00 C ATOM 1626 CG PHE A 106 2.556 8.889 0.837 1.00 0.00 C ATOM 1627 CD1 PHE A 106 3.197 7.816 1.434 1.00 0.00 C ATOM 1628 CD2 PHE A 106 1.735 8.652 -0.254 1.00 0.00 C ATOM 1629 CE1 PHE A 106 3.022 6.531 0.954 1.00 0.00 C ATOM 1630 CE2 PHE A 106 1.556 7.370 -0.738 1.00 0.00 C ATOM 1631 CZ PHE A 106 2.201 6.309 -0.134 1.00 0.00 C ATOM 0 H PHE A 106 0.303 10.801 2.253 1.00 0.00 H new ATOM 0 HA PHE A 106 2.787 9.708 3.433 1.00 0.00 H new ATOM 0 HB2 PHE A 106 2.195 10.980 0.731 1.00 0.00 H new ATOM 0 HB3 PHE A 106 3.802 10.551 1.284 1.00 0.00 H new ATOM 0 HD1 PHE A 106 3.841 7.985 2.284 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.229 9.478 -0.731 1.00 0.00 H new ATOM 0 HE1 PHE A 106 3.526 5.703 1.429 1.00 0.00 H new ATOM 0 HE2 PHE A 106 0.912 7.198 -1.588 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.064 5.307 -0.512 1.00 0.00 H new ATOM 1641 N LEU A 107 3.667 11.876 4.222 1.00 0.00 N ATOM 1642 CA LEU A 107 4.141 13.135 4.787 1.00 0.00 C ATOM 1643 C LEU A 107 5.250 13.734 3.928 1.00 0.00 C ATOM 1644 O LEU A 107 6.096 13.026 3.380 1.00 0.00 O ATOM 1645 CB LEU A 107 4.647 12.917 6.214 1.00 0.00 C ATOM 1646 CG LEU A 107 3.695 12.182 7.158 1.00 0.00 C ATOM 1647 CD1 LEU A 107 4.395 11.846 8.466 1.00 0.00 C ATOM 1648 CD2 LEU A 107 2.450 13.016 7.417 1.00 0.00 C ATOM 0 H LEU A 107 4.144 11.048 4.578 1.00 0.00 H new ATOM 0 HA LEU A 107 3.305 13.834 4.807 1.00 0.00 H new ATOM 0 HB2 LEU A 107 5.582 12.358 6.165 1.00 0.00 H new ATOM 0 HB3 LEU A 107 4.879 13.889 6.649 1.00 0.00 H new ATOM 0 HG LEU A 107 3.390 11.250 6.682 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.702 11.323 9.126 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.256 11.208 8.265 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.729 12.766 8.946 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.784 12.477 8.091 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.736 13.965 7.872 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.936 13.205 6.474 1.00 0.00 H new ATOM 1660 N PRO A 108 5.250 15.069 3.807 1.00 0.00 N ATOM 1661 CA PRO A 108 6.251 15.793 3.018 1.00 0.00 C ATOM 1662 C PRO A 108 7.634 15.754 3.660 1.00 0.00 C ATOM 1663 O PRO A 108 7.772 15.924 4.872 1.00 0.00 O ATOM 1664 CB PRO A 108 5.714 17.227 2.993 1.00 0.00 C ATOM 1665 CG PRO A 108 4.873 17.338 4.217 1.00 0.00 C ATOM 1666 CD PRO A 108 4.272 15.976 4.432 1.00 0.00 C ATOM 0 HA PRO A 108 6.384 15.356 2.029 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.526 17.954 3.003 1.00 0.00 H new ATOM 0 HB3 PRO A 108 5.129 17.415 2.093 1.00 0.00 H new ATOM 0 HG2 PRO A 108 5.472 17.640 5.076 1.00 0.00 H new ATOM 0 HG3 PRO A 108 4.096 18.092 4.089 1.00 0.00 H new ATOM 0 HD2 PRO A 108 4.141 15.757 5.492 1.00 0.00 H new ATOM 0 HD3 PRO A 108 3.290 15.892 3.966 1.00 0.00 H new ATOM 1674 N VAL A 109 8.656 15.529 2.840 1.00 0.00 N ATOM 1675 CA VAL A 109 10.028 15.469 3.328 1.00 0.00 C ATOM 1676 C VAL A 109 10.593 16.867 3.554 1.00 0.00 C ATOM 1677 O VAL A 109 11.418 17.077 4.444 1.00 0.00 O ATOM 1678 CB VAL A 109 10.941 14.712 2.345 1.00 0.00 C ATOM 1679 CG1 VAL A 109 12.374 14.691 2.854 1.00 0.00 C ATOM 1680 CG2 VAL A 109 10.425 13.298 2.120 1.00 0.00 C ATOM 0 H VAL A 109 8.559 15.385 1.835 1.00 0.00 H new ATOM 0 HA VAL A 109 10.003 14.932 4.276 1.00 0.00 H new ATOM 0 HB VAL A 109 10.929 15.235 1.389 1.00 0.00 H new ATOM 0 HG11 VAL A 109 13.004 14.152 2.146 1.00 0.00 H new ATOM 0 HG12 VAL A 109 12.738 15.713 2.958 1.00 0.00 H new ATOM 0 HG13 VAL A 109 12.409 14.193 3.823 1.00 0.00 H new ATOM 0 HG21 VAL A 109 11.082 12.778 1.423 1.00 0.00 H new ATOM 0 HG22 VAL A 109 10.406 12.762 3.069 1.00 0.00 H new ATOM 0 HG23 VAL A 109 9.417 13.340 1.706 1.00 0.00 H new ATOM 1690 N ILE A 110 10.142 17.819 2.745 1.00 0.00 N ATOM 1691 CA ILE A 110 10.601 19.198 2.858 1.00 0.00 C ATOM 1692 C ILE A 110 10.839 19.580 4.315 1.00 0.00 C ATOM 1693 O ILE A 110 11.827 20.239 4.641 1.00 0.00 O ATOM 1694 CB ILE A 110 9.590 20.181 2.240 1.00 0.00 C ATOM 1695 CG1 ILE A 110 9.447 19.922 0.738 1.00 0.00 C ATOM 1696 CG2 ILE A 110 10.021 21.617 2.497 1.00 0.00 C ATOM 1697 CD1 ILE A 110 8.121 20.377 0.171 1.00 0.00 C ATOM 0 H ILE A 110 9.459 17.661 2.004 1.00 0.00 H new ATOM 0 HA ILE A 110 11.540 19.264 2.309 1.00 0.00 H new ATOM 0 HB ILE A 110 8.619 20.025 2.711 1.00 0.00 H new ATOM 0 HG12 ILE A 110 10.253 20.433 0.211 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.568 18.855 0.548 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.296 22.299 2.054 1.00 0.00 H new ATOM 0 HG22 ILE A 110 10.076 21.794 3.571 1.00 0.00 H new ATOM 0 HG23 ILE A 110 11.000 21.788 2.050 1.00 0.00 H new ATOM 0 HD11 ILE A 110 8.089 20.162 -0.897 1.00 0.00 H new ATOM 0 HD12 ILE A 110 7.310 19.848 0.672 1.00 0.00 H new ATOM 0 HD13 ILE A 110 8.006 21.449 0.329 1.00 0.00 H new ATOM 1709 N CYS A 111 9.929 19.161 5.187 1.00 0.00 N ATOM 1710 CA CYS A 111 10.039 19.458 6.611 1.00 0.00 C ATOM 1711 C CYS A 111 10.172 18.176 7.425 1.00 0.00 C ATOM 1712 O CYS A 111 11.226 17.898 7.999 1.00 0.00 O ATOM 1713 CB CYS A 111 8.821 20.253 7.083 1.00 0.00 C ATOM 1714 SG CYS A 111 9.129 21.282 8.537 1.00 0.00 S ATOM 0 H CYS A 111 9.106 18.614 4.933 1.00 0.00 H new ATOM 0 HA CYS A 111 10.936 20.058 6.764 1.00 0.00 H new ATOM 0 HB2 CYS A 111 8.477 20.889 6.267 1.00 0.00 H new ATOM 0 HB3 CYS A 111 8.012 19.558 7.308 1.00 0.00 H new ATOM 0 HG CYS A 111 8.041 21.917 8.858 1.00 0.00 H new ATOM 1720 N LYS A 112 9.097 17.397 7.473 1.00 0.00 N ATOM 1721 CA LYS A 112 9.092 16.143 8.217 1.00 0.00 C ATOM 1722 C LYS A 112 10.092 15.155 7.625 1.00 0.00 C ATOM 1723 O LYS A 112 9.910 14.667 6.511 1.00 0.00 O ATOM 1724 CB LYS A 112 7.690 15.530 8.214 1.00 0.00 C ATOM 1725 CG LYS A 112 6.826 15.981 9.380 1.00 0.00 C ATOM 1726 CD LYS A 112 5.436 15.370 9.312 1.00 0.00 C ATOM 1727 CE LYS A 112 4.411 16.241 10.022 1.00 0.00 C ATOM 1728 NZ LYS A 112 3.078 15.580 10.094 1.00 0.00 N ATOM 0 H LYS A 112 8.217 17.612 7.005 1.00 0.00 H new ATOM 0 HA LYS A 112 9.386 16.358 9.244 1.00 0.00 H new ATOM 0 HB2 LYS A 112 7.191 15.790 7.281 1.00 0.00 H new ATOM 0 HB3 LYS A 112 7.777 14.444 8.236 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.303 15.699 10.318 1.00 0.00 H new ATOM 0 HG3 LYS A 112 6.747 17.068 9.377 1.00 0.00 H new ATOM 0 HD2 LYS A 112 5.145 15.239 8.270 1.00 0.00 H new ATOM 0 HD3 LYS A 112 5.450 14.379 9.766 1.00 0.00 H new ATOM 0 HE2 LYS A 112 4.760 16.465 11.030 1.00 0.00 H new ATOM 0 HE3 LYS A 112 4.317 17.192 9.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 2.513 16.019 10.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 2.586 15.691 9.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 3.203 14.568 10.299 1.00 0.00 H new ATOM 1742 N GLU A 113 11.147 14.864 8.380 1.00 0.00 N ATOM 1743 CA GLU A 113 12.174 13.933 7.929 1.00 0.00 C ATOM 1744 C GLU A 113 12.520 12.930 9.026 1.00 0.00 C ATOM 1745 O GLU A 113 12.204 13.143 10.196 1.00 0.00 O ATOM 1746 CB GLU A 113 13.432 14.694 7.503 1.00 0.00 C ATOM 1747 CG GLU A 113 14.179 15.331 8.663 1.00 0.00 C ATOM 1748 CD GLU A 113 14.902 14.312 9.521 1.00 0.00 C ATOM 1749 OE1 GLU A 113 15.529 13.395 8.951 1.00 0.00 O ATOM 1750 OE2 GLU A 113 14.841 14.431 10.763 1.00 0.00 O ATOM 0 H GLU A 113 11.312 15.259 9.306 1.00 0.00 H new ATOM 0 HA GLU A 113 11.781 13.386 7.072 1.00 0.00 H new ATOM 0 HB2 GLU A 113 14.102 14.010 6.982 1.00 0.00 H new ATOM 0 HB3 GLU A 113 13.153 15.471 6.791 1.00 0.00 H new ATOM 0 HG2 GLU A 113 14.900 16.050 8.275 1.00 0.00 H new ATOM 0 HG3 GLU A 113 13.475 15.887 9.282 1.00 0.00 H new ATOM 1757 N GLU A 114 13.171 11.838 8.638 1.00 0.00 N ATOM 1758 CA GLU A 114 13.558 10.802 9.589 1.00 0.00 C ATOM 1759 C GLU A 114 14.734 9.988 9.057 1.00 0.00 C ATOM 1760 O GLU A 114 14.588 9.217 8.108 1.00 0.00 O ATOM 1761 CB GLU A 114 12.374 9.879 9.881 1.00 0.00 C ATOM 1762 CG GLU A 114 12.422 9.246 11.261 1.00 0.00 C ATOM 1763 CD GLU A 114 13.640 8.365 11.458 1.00 0.00 C ATOM 1764 OE1 GLU A 114 14.684 8.888 11.900 1.00 0.00 O ATOM 1765 OE2 GLU A 114 13.550 7.154 11.169 1.00 0.00 O ATOM 0 H GLU A 114 13.441 11.648 7.673 1.00 0.00 H new ATOM 0 HA GLU A 114 13.865 11.290 10.514 1.00 0.00 H new ATOM 0 HB2 GLU A 114 11.449 10.447 9.783 1.00 0.00 H new ATOM 0 HB3 GLU A 114 12.345 9.090 9.129 1.00 0.00 H new ATOM 0 HG2 GLU A 114 12.421 10.031 12.017 1.00 0.00 H new ATOM 0 HG3 GLU A 114 11.521 8.653 11.416 1.00 0.00 H new TER 1772 GLU A 114