USER MOD reduce.3.24.130724 H: found=0, std=0, add=1070, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1069 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 51 SER OG : rot 180:sc= 0.324 USER MOD Set 1.2: A 126 HIS : no HD1:sc= 0.268 X(o=0.59,f=0.21) USER MOD Set 2.1: A 7 TYR OH : rot 45:sc= 0.0451 USER MOD Set 2.2: A 57 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 44 THR OG1 : rot -157:sc= 0.813 USER MOD Set 3.2: A 63 LYS NZ :NH3+ 140:sc= 0.935 (180deg=0) USER MOD Set 4.1: A -1 ASN : amide:sc= 0.617 K(o=1.3,f=0.12) USER MOD Set 4.2: A -3 SER OG : rot 130:sc= 0.685 USER MOD Set 5.1: A 9 SER OG : rot 180:sc= 0.96 USER MOD Set 5.2: A 52 LYS NZ :NH3+ -145:sc= 1.14 (180deg=0) USER MOD Single : A 0 SER OG : rot -167:sc= 0.273 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A -4 GLY N :NH3+ -133:sc= 0.0171 (180deg=0) USER MOD Single : A 12 CYS SG : rot 154:sc= -1.75! USER MOD Single : A 14 LYS NZ :NH3+ 174:sc= 2.37 (180deg=2.23) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0.0531 USER MOD Single : A 28 ASN : amide:sc= -0.255 X(o=-0.26,f=-0.11) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.25) USER MOD Single : A 50 THR OG1 : rot 0:sc= -0.374 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 167:sc= 1.21 (180deg=1.08) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.285 K(o=-0.29,f=-2.8!) USER MOD Single : A 76 GLN : amide:sc= 0.215 X(o=0.21,f=-0.18) USER MOD Single : A 77 TYR OH : rot 30:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.00497 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -140:sc= 0.731 USER MOD Single : A 91 TYR OH : rot 30:sc= 0.511 USER MOD Single : A 97 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.1) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot -70:sc= 0.583 USER MOD Single : A 111 THR OG1 : rot -40:sc= 0.0333 USER MOD Single : A 120 ASN : amide:sc= -0.451 K(o=-0.45,f=-5.5!) USER MOD Single : A 122 SER OG : rot -78:sc= 1.11 USER MOD Single : A 124 GLN : amide:sc= 0.769 K(o=0.77,f=0) USER MOD Single : A 128 LYS NZ :NH3+ 162:sc= 1.26 (180deg=1.14) USER MOD Single : A 131 LYS NZ :NH3+ 178:sc= 1.22 (180deg=1.17) USER MOD Single : A 132 GLN : amide:sc= 0.832 K(o=0.83,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 -4.934 26.953 0.244 1.00 0.00 N ATOM 2 CA GLY A -4 -5.065 26.378 1.601 1.00 0.00 C ATOM 3 C GLY A -4 -4.968 27.451 2.675 1.00 0.00 C ATOM 4 O GLY A -4 -5.443 28.572 2.483 1.00 0.00 O ATOM 0 H1 GLY A -4 -5.683 26.571 -0.369 1.00 0.00 H new ATOM 0 H2 GLY A -4 -5.023 27.988 0.295 1.00 0.00 H new ATOM 0 H3 GLY A -4 -4.004 26.704 -0.150 1.00 0.00 H new ATOM 0 HA2 GLY A -4 -6.021 25.861 1.687 1.00 0.00 H new ATOM 0 HA3 GLY A -4 -4.285 25.633 1.758 1.00 0.00 H new ATOM 10 N SER A -3 -4.354 27.116 3.813 1.00 0.00 N ATOM 11 CA SER A -3 -4.182 27.983 4.991 1.00 0.00 C ATOM 12 C SER A -3 -2.738 27.910 5.522 1.00 0.00 C ATOM 13 O SER A -3 -2.080 26.882 5.335 1.00 0.00 O ATOM 14 CB SER A -3 -5.161 27.503 6.077 1.00 0.00 C ATOM 15 OG SER A -3 -5.106 28.310 7.243 1.00 0.00 O ATOM 0 H SER A -3 -3.943 26.192 3.948 1.00 0.00 H new ATOM 0 HA SER A -3 -4.384 29.019 4.717 1.00 0.00 H new ATOM 0 HB2 SER A -3 -6.176 27.512 5.679 1.00 0.00 H new ATOM 0 HB3 SER A -3 -4.931 26.471 6.341 1.00 0.00 H new ATOM 0 HG SER A -3 -6.013 28.580 7.497 1.00 0.00 H new ATOM 21 N PRO A -2 -2.238 28.912 6.275 1.00 0.00 N ATOM 22 CA PRO A -2 -1.048 28.749 7.118 1.00 0.00 C ATOM 23 C PRO A -2 -1.153 27.564 8.100 1.00 0.00 C ATOM 24 O PRO A -2 -0.137 26.982 8.483 1.00 0.00 O ATOM 25 CB PRO A -2 -0.897 30.082 7.861 1.00 0.00 C ATOM 26 CG PRO A -2 -1.560 31.087 6.920 1.00 0.00 C ATOM 27 CD PRO A -2 -2.726 30.283 6.350 1.00 0.00 C ATOM 0 HA PRO A -2 -0.176 28.512 6.508 1.00 0.00 H new ATOM 0 HB2 PRO A -2 -1.388 30.058 8.834 1.00 0.00 H new ATOM 0 HB3 PRO A -2 0.150 30.327 8.038 1.00 0.00 H new ATOM 0 HG2 PRO A -2 -1.901 31.976 7.450 1.00 0.00 H new ATOM 0 HG3 PRO A -2 -0.878 31.423 6.139 1.00 0.00 H new ATOM 0 HD2 PRO A -2 -3.605 30.354 6.990 1.00 0.00 H new ATOM 0 HD3 PRO A -2 -3.017 30.653 5.367 1.00 0.00 H new ATOM 35 N ASN A -1 -2.378 27.156 8.461 1.00 0.00 N ATOM 36 CA ASN A -1 -2.662 25.980 9.292 1.00 0.00 C ATOM 37 C ASN A -1 -2.477 24.635 8.551 1.00 0.00 C ATOM 38 O ASN A -1 -2.394 23.590 9.198 1.00 0.00 O ATOM 39 CB ASN A -1 -4.089 26.102 9.856 1.00 0.00 C ATOM 40 CG ASN A -1 -4.281 27.329 10.733 1.00 0.00 C ATOM 41 OD1 ASN A -1 -3.947 27.340 11.911 1.00 0.00 O ATOM 42 ND2 ASN A -1 -4.808 28.403 10.190 1.00 0.00 N ATOM 0 H ASN A -1 -3.223 27.651 8.174 1.00 0.00 H new ATOM 0 HA ASN A -1 -1.931 25.967 10.100 1.00 0.00 H new ATOM 0 HB2 ASN A -1 -4.798 26.139 9.029 1.00 0.00 H new ATOM 0 HB3 ASN A -1 -4.322 25.209 10.435 1.00 0.00 H new ATOM 0 HD21 ASN A -1 -4.939 29.246 10.750 1.00 0.00 H new ATOM 0 HD22 ASN A -1 -5.086 28.394 9.209 1.00 0.00 H new ATOM 49 N SER A 0 -2.388 24.638 7.213 1.00 0.00 N ATOM 50 CA SER A 0 -2.201 23.439 6.374 1.00 0.00 C ATOM 51 C SER A 0 -0.758 22.902 6.371 1.00 0.00 C ATOM 52 O SER A 0 -0.507 21.823 5.833 1.00 0.00 O ATOM 53 CB SER A 0 -2.633 23.722 4.926 1.00 0.00 C ATOM 54 OG SER A 0 -3.935 24.292 4.856 1.00 0.00 O ATOM 0 H SER A 0 -2.445 25.497 6.667 1.00 0.00 H new ATOM 0 HA SER A 0 -2.830 22.669 6.820 1.00 0.00 H new ATOM 0 HB2 SER A 0 -1.916 24.399 4.460 1.00 0.00 H new ATOM 0 HB3 SER A 0 -2.613 22.794 4.355 1.00 0.00 H new ATOM 0 HG SER A 0 -4.254 24.266 3.930 1.00 0.00 H new ATOM 60 N MET A 1 0.190 23.635 6.972 1.00 0.00 N ATOM 61 CA MET A 1 1.613 23.292 7.121 1.00 0.00 C ATOM 62 C MET A 1 2.310 22.926 5.792 1.00 0.00 C ATOM 63 O MET A 1 2.707 23.821 5.043 1.00 0.00 O ATOM 64 CB MET A 1 1.827 22.266 8.257 1.00 0.00 C ATOM 65 CG MET A 1 1.240 22.710 9.604 1.00 0.00 C ATOM 66 SD MET A 1 1.898 24.266 10.268 1.00 0.00 S ATOM 67 CE MET A 1 0.831 24.441 11.722 1.00 0.00 C ATOM 0 H MET A 1 -0.029 24.538 7.393 1.00 0.00 H new ATOM 0 HA MET A 1 2.127 24.202 7.430 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.375 21.317 7.968 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.895 22.087 8.377 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.160 22.810 9.495 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.415 21.920 10.335 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.094 25.352 12.259 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.210 24.495 11.405 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.967 23.581 12.378 1.00 0.00 H new ATOM 77 N ALA A 2 2.465 21.629 5.499 1.00 0.00 N ATOM 78 CA ALA A 2 3.051 21.105 4.254 1.00 0.00 C ATOM 79 C ALA A 2 2.516 19.695 3.926 1.00 0.00 C ATOM 80 O ALA A 2 2.051 19.441 2.813 1.00 0.00 O ATOM 81 CB ALA A 2 4.581 21.093 4.392 1.00 0.00 C ATOM 0 H ALA A 2 2.178 20.890 6.141 1.00 0.00 H new ATOM 0 HA ALA A 2 2.763 21.753 3.426 1.00 0.00 H new ATOM 0 HB1 ALA A 2 5.026 20.706 3.475 1.00 0.00 H new ATOM 0 HB2 ALA A 2 4.938 22.107 4.569 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.866 20.457 5.230 1.00 0.00 H new ATOM 87 N THR A 3 2.523 18.807 4.926 1.00 0.00 N ATOM 88 CA THR A 3 1.771 17.544 4.968 1.00 0.00 C ATOM 89 C THR A 3 1.043 17.510 6.310 1.00 0.00 C ATOM 90 O THR A 3 1.664 17.612 7.369 1.00 0.00 O ATOM 91 CB THR A 3 2.682 16.313 4.828 1.00 0.00 C ATOM 92 OG1 THR A 3 3.496 16.400 3.676 1.00 0.00 O ATOM 93 CG2 THR A 3 1.880 15.016 4.697 1.00 0.00 C ATOM 0 H THR A 3 3.079 18.954 5.769 1.00 0.00 H new ATOM 0 HA THR A 3 1.077 17.504 4.128 1.00 0.00 H new ATOM 0 HB THR A 3 3.287 16.297 5.735 1.00 0.00 H new ATOM 0 HG1 THR A 3 4.064 15.604 3.616 1.00 0.00 H new ATOM 0 HG21 THR A 3 2.564 14.173 4.601 1.00 0.00 H new ATOM 0 HG22 THR A 3 1.260 14.880 5.583 1.00 0.00 H new ATOM 0 HG23 THR A 3 1.244 15.069 3.814 1.00 0.00 H new ATOM 101 N GLU A 4 -0.282 17.428 6.269 1.00 0.00 N ATOM 102 CA GLU A 4 -1.172 17.597 7.419 1.00 0.00 C ATOM 103 C GLU A 4 -2.380 16.669 7.241 1.00 0.00 C ATOM 104 O GLU A 4 -3.112 16.787 6.256 1.00 0.00 O ATOM 105 CB GLU A 4 -1.554 19.086 7.506 1.00 0.00 C ATOM 106 CG GLU A 4 -2.255 19.498 8.803 1.00 0.00 C ATOM 107 CD GLU A 4 -3.750 19.124 8.823 1.00 0.00 C ATOM 108 OE1 GLU A 4 -4.576 19.874 8.248 1.00 0.00 O ATOM 109 OE2 GLU A 4 -4.101 18.088 9.433 1.00 0.00 O ATOM 0 H GLU A 4 -0.787 17.235 5.404 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.696 17.322 8.360 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.650 19.685 7.393 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.205 19.329 6.666 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.755 19.022 9.647 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.153 20.575 8.939 1.00 0.00 H new ATOM 116 N LEU A 5 -2.530 15.705 8.156 1.00 0.00 N ATOM 117 CA LEU A 5 -3.459 14.570 8.053 1.00 0.00 C ATOM 118 C LEU A 5 -4.209 14.261 9.366 1.00 0.00 C ATOM 119 O LEU A 5 -4.445 13.102 9.714 1.00 0.00 O ATOM 120 CB LEU A 5 -2.700 13.363 7.442 1.00 0.00 C ATOM 121 CG LEU A 5 -2.938 13.265 5.928 1.00 0.00 C ATOM 122 CD1 LEU A 5 -1.894 12.353 5.284 1.00 0.00 C ATOM 123 CD2 LEU A 5 -4.325 12.692 5.628 1.00 0.00 C ATOM 0 H LEU A 5 -1.989 15.692 9.021 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.273 14.834 7.378 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.633 13.464 7.639 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.028 12.442 7.925 1.00 0.00 H new ATOM 0 HG LEU A 5 -2.862 14.272 5.519 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.075 12.293 4.211 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.898 12.758 5.462 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.963 11.356 5.720 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.469 12.633 4.549 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.408 11.695 6.060 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.088 13.340 6.061 1.00 0.00 H new ATOM 135 N GLU A 6 -4.638 15.298 10.089 1.00 0.00 N ATOM 136 CA GLU A 6 -5.503 15.194 11.285 1.00 0.00 C ATOM 137 C GLU A 6 -6.989 14.910 10.925 1.00 0.00 C ATOM 138 O GLU A 6 -7.926 15.401 11.558 1.00 0.00 O ATOM 139 CB GLU A 6 -5.296 16.437 12.175 1.00 0.00 C ATOM 140 CG GLU A 6 -5.639 16.186 13.651 1.00 0.00 C ATOM 141 CD GLU A 6 -5.389 17.448 14.500 1.00 0.00 C ATOM 142 OE1 GLU A 6 -4.268 17.608 15.044 1.00 0.00 O ATOM 143 OE2 GLU A 6 -6.315 18.284 14.647 1.00 0.00 O ATOM 0 H GLU A 6 -4.392 16.261 9.860 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.205 14.322 11.867 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.258 16.762 12.100 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.913 17.253 11.799 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -6.683 15.885 13.739 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -5.037 15.362 14.033 1.00 0.00 H new ATOM 150 N TYR A 7 -7.207 14.137 9.857 1.00 0.00 N ATOM 151 CA TYR A 7 -8.484 13.789 9.239 1.00 0.00 C ATOM 152 C TYR A 7 -8.335 12.487 8.460 1.00 0.00 C ATOM 153 O TYR A 7 -7.260 12.167 7.942 1.00 0.00 O ATOM 154 CB TYR A 7 -8.950 14.932 8.328 1.00 0.00 C ATOM 155 CG TYR A 7 -7.998 15.285 7.198 1.00 0.00 C ATOM 156 CD1 TYR A 7 -7.160 16.411 7.307 1.00 0.00 C ATOM 157 CD2 TYR A 7 -7.946 14.480 6.044 1.00 0.00 C ATOM 158 CE1 TYR A 7 -6.278 16.736 6.260 1.00 0.00 C ATOM 159 CE2 TYR A 7 -7.068 14.804 4.994 1.00 0.00 C ATOM 160 CZ TYR A 7 -6.226 15.931 5.100 1.00 0.00 C ATOM 161 OH TYR A 7 -5.366 16.230 4.090 1.00 0.00 O ATOM 0 H TYR A 7 -6.427 13.704 9.363 1.00 0.00 H new ATOM 0 HA TYR A 7 -9.240 13.643 10.010 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -9.915 14.663 7.898 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -9.109 15.821 8.939 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.194 17.025 8.194 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -8.582 13.611 5.965 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -5.639 17.603 6.343 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -7.038 14.190 4.106 1.00 0.00 H new ATOM 0 HH TYR A 7 -4.488 16.454 4.463 1.00 0.00 H new ATOM 171 N GLU A 8 -9.427 11.732 8.372 1.00 0.00 N ATOM 172 CA GLU A 8 -9.552 10.544 7.560 1.00 0.00 C ATOM 173 C GLU A 8 -11.008 10.091 7.618 1.00 0.00 C ATOM 174 O GLU A 8 -11.654 10.098 8.667 1.00 0.00 O ATOM 175 CB GLU A 8 -8.630 9.423 8.068 1.00 0.00 C ATOM 176 CG GLU A 8 -8.776 9.054 9.551 1.00 0.00 C ATOM 177 CD GLU A 8 -7.717 8.035 9.998 1.00 0.00 C ATOM 178 OE1 GLU A 8 -6.504 8.318 9.852 1.00 0.00 O ATOM 179 OE2 GLU A 8 -8.102 6.957 10.506 1.00 0.00 O ATOM 0 H GLU A 8 -10.279 11.948 8.889 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.257 10.768 6.535 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.814 8.529 7.472 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.597 9.719 7.887 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.691 9.955 10.159 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.771 8.644 9.726 1.00 0.00 H new ATOM 186 N SER A 9 -11.509 9.672 6.471 1.00 0.00 N ATOM 187 CA SER A 9 -12.579 8.683 6.397 1.00 0.00 C ATOM 188 C SER A 9 -11.961 7.302 6.167 1.00 0.00 C ATOM 189 O SER A 9 -11.353 7.068 5.124 1.00 0.00 O ATOM 190 CB SER A 9 -13.530 9.009 5.247 1.00 0.00 C ATOM 191 OG SER A 9 -14.321 10.151 5.546 1.00 0.00 O ATOM 0 H SER A 9 -11.189 10.005 5.562 1.00 0.00 H new ATOM 0 HA SER A 9 -13.142 8.695 7.330 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.957 9.187 4.337 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.178 8.154 5.053 1.00 0.00 H new ATOM 0 HG SER A 9 -14.920 10.340 4.794 1.00 0.00 H new ATOM 197 N VAL A 10 -12.076 6.390 7.131 1.00 0.00 N ATOM 198 CA VAL A 10 -11.554 5.008 7.019 1.00 0.00 C ATOM 199 C VAL A 10 -12.343 4.139 6.029 1.00 0.00 C ATOM 200 O VAL A 10 -13.558 4.288 5.879 1.00 0.00 O ATOM 201 CB VAL A 10 -11.396 4.376 8.416 1.00 0.00 C ATOM 202 CG1 VAL A 10 -12.733 4.060 9.096 1.00 0.00 C ATOM 203 CG2 VAL A 10 -10.539 3.110 8.388 1.00 0.00 C ATOM 0 H VAL A 10 -12.535 6.580 8.022 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.558 5.064 6.579 1.00 0.00 H new ATOM 0 HB VAL A 10 -10.889 5.140 9.005 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -12.548 3.618 10.075 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -13.306 4.979 9.216 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.297 3.358 8.481 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.458 2.703 9.396 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.003 2.371 7.735 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.544 3.352 8.013 1.00 0.00 H new ATOM 213 N LEU A 11 -11.629 3.241 5.338 1.00 0.00 N ATOM 214 CA LEU A 11 -12.130 2.408 4.234 1.00 0.00 C ATOM 215 C LEU A 11 -11.785 0.923 4.432 1.00 0.00 C ATOM 216 O LEU A 11 -12.618 0.059 4.156 1.00 0.00 O ATOM 217 CB LEU A 11 -11.533 2.905 2.899 1.00 0.00 C ATOM 218 CG LEU A 11 -11.891 4.347 2.494 1.00 0.00 C ATOM 219 CD1 LEU A 11 -11.160 4.704 1.200 1.00 0.00 C ATOM 220 CD2 LEU A 11 -13.390 4.532 2.256 1.00 0.00 C ATOM 0 H LEU A 11 -10.645 3.067 5.541 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.216 2.497 4.217 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.448 2.824 2.957 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.861 2.234 2.105 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.591 4.995 3.317 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.411 5.724 0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.084 4.625 1.356 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.463 4.017 0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -13.589 5.566 1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.716 3.868 1.456 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.935 4.295 3.169 1.00 0.00 H new ATOM 232 N CYS A 12 -10.578 0.625 4.925 1.00 0.00 N ATOM 233 CA CYS A 12 -10.136 -0.733 5.249 1.00 0.00 C ATOM 234 C CYS A 12 -9.075 -0.723 6.353 1.00 0.00 C ATOM 235 O CYS A 12 -8.105 0.031 6.276 1.00 0.00 O ATOM 236 CB CYS A 12 -9.573 -1.385 3.981 1.00 0.00 C ATOM 237 SG CYS A 12 -9.412 -3.171 4.225 1.00 0.00 S ATOM 0 H CYS A 12 -9.869 1.334 5.113 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.988 -1.304 5.617 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -10.230 -1.183 3.135 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.602 -0.953 3.740 1.00 0.00 H new ATOM 0 HG CYS A 12 -9.480 -3.774 3.075 1.00 0.00 H new ATOM 243 N VAL A 13 -9.228 -1.588 7.355 1.00 0.00 N ATOM 244 CA VAL A 13 -8.218 -1.849 8.394 1.00 0.00 C ATOM 245 C VAL A 13 -8.018 -3.358 8.524 1.00 0.00 C ATOM 246 O VAL A 13 -8.989 -4.099 8.697 1.00 0.00 O ATOM 247 CB VAL A 13 -8.609 -1.193 9.737 1.00 0.00 C ATOM 248 CG1 VAL A 13 -7.635 -1.532 10.874 1.00 0.00 C ATOM 249 CG2 VAL A 13 -8.643 0.336 9.607 1.00 0.00 C ATOM 0 H VAL A 13 -10.076 -2.143 7.475 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.270 -1.396 8.102 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.594 -1.592 9.980 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.962 -1.043 11.791 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.614 -2.611 11.026 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.636 -1.183 10.613 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.921 0.776 10.565 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.658 0.698 9.313 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.375 0.621 8.851 1.00 0.00 H new ATOM 259 N LYS A 14 -6.761 -3.815 8.434 1.00 0.00 N ATOM 260 CA LYS A 14 -6.369 -5.234 8.524 1.00 0.00 C ATOM 261 C LYS A 14 -5.168 -5.449 9.458 1.00 0.00 C ATOM 262 O LYS A 14 -4.254 -4.621 9.460 1.00 0.00 O ATOM 263 CB LYS A 14 -6.081 -5.831 7.132 1.00 0.00 C ATOM 264 CG LYS A 14 -7.311 -5.823 6.216 1.00 0.00 C ATOM 265 CD LYS A 14 -7.006 -6.559 4.904 1.00 0.00 C ATOM 266 CE LYS A 14 -8.174 -6.509 3.915 1.00 0.00 C ATOM 267 NZ LYS A 14 -9.359 -7.258 4.400 1.00 0.00 N ATOM 0 H LYS A 14 -5.965 -3.193 8.293 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.220 -5.761 8.955 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.278 -5.267 6.659 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.726 -6.855 7.247 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.151 -6.300 6.721 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.608 -4.796 6.004 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.124 -6.118 4.441 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -6.764 -7.599 5.123 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.452 -5.470 3.738 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.854 -6.921 2.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.154 -7.111 3.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.133 -8.272 4.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.622 -6.917 5.347 1.00 0.00 H new ATOM 281 N PRO A 15 -5.125 -6.565 10.212 1.00 0.00 N ATOM 282 CA PRO A 15 -4.055 -6.871 11.168 1.00 0.00 C ATOM 283 C PRO A 15 -2.751 -7.389 10.529 1.00 0.00 C ATOM 284 O PRO A 15 -1.739 -7.498 11.222 1.00 0.00 O ATOM 285 CB PRO A 15 -4.657 -7.936 12.089 1.00 0.00 C ATOM 286 CG PRO A 15 -5.601 -8.692 11.155 1.00 0.00 C ATOM 287 CD PRO A 15 -6.171 -7.577 10.292 1.00 0.00 C ATOM 0 HA PRO A 15 -3.749 -5.960 11.682 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.891 -8.590 12.507 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.189 -7.491 12.929 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.073 -9.437 10.560 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.381 -9.219 11.705 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.436 -7.946 9.301 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -7.080 -7.167 10.733 1.00 0.00 H new ATOM 295 N ASP A 16 -2.765 -7.736 9.237 1.00 0.00 N ATOM 296 CA ASP A 16 -1.642 -8.343 8.513 1.00 0.00 C ATOM 297 C ASP A 16 -1.159 -7.448 7.362 1.00 0.00 C ATOM 298 O ASP A 16 -1.847 -7.308 6.349 1.00 0.00 O ATOM 299 CB ASP A 16 -2.069 -9.729 7.997 1.00 0.00 C ATOM 300 CG ASP A 16 -0.978 -10.384 7.132 1.00 0.00 C ATOM 301 OD1 ASP A 16 0.134 -10.624 7.659 1.00 0.00 O ATOM 302 OD2 ASP A 16 -1.233 -10.665 5.937 1.00 0.00 O ATOM 0 H ASP A 16 -3.585 -7.597 8.647 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.800 -8.454 9.197 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.297 -10.376 8.844 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.985 -9.632 7.414 1.00 0.00 H new ATOM 307 N VAL A 17 0.038 -6.869 7.506 1.00 0.00 N ATOM 308 CA VAL A 17 0.817 -6.280 6.406 1.00 0.00 C ATOM 309 C VAL A 17 2.308 -6.234 6.770 1.00 0.00 C ATOM 310 O VAL A 17 2.686 -5.960 7.915 1.00 0.00 O ATOM 311 CB VAL A 17 0.273 -4.895 5.980 1.00 0.00 C ATOM 312 CG1 VAL A 17 0.360 -3.833 7.076 1.00 0.00 C ATOM 313 CG2 VAL A 17 0.960 -4.359 4.718 1.00 0.00 C ATOM 0 H VAL A 17 0.504 -6.794 8.410 1.00 0.00 H new ATOM 0 HA VAL A 17 0.706 -6.924 5.534 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.781 -5.079 5.772 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.040 -2.891 6.702 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.219 -4.155 7.941 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.401 -3.695 7.367 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.542 -3.385 4.462 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.030 -4.258 4.901 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.797 -5.052 3.893 1.00 0.00 H new ATOM 323 N SER A 18 3.155 -6.493 5.777 1.00 0.00 N ATOM 324 CA SER A 18 4.623 -6.476 5.882 1.00 0.00 C ATOM 325 C SER A 18 5.214 -5.507 4.862 1.00 0.00 C ATOM 326 O SER A 18 4.683 -5.420 3.757 1.00 0.00 O ATOM 327 CB SER A 18 5.191 -7.879 5.637 1.00 0.00 C ATOM 328 OG SER A 18 4.668 -8.815 6.568 1.00 0.00 O ATOM 0 H SER A 18 2.832 -6.730 4.839 1.00 0.00 H new ATOM 0 HA SER A 18 4.891 -6.150 6.887 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.952 -8.199 4.623 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.278 -7.853 5.715 1.00 0.00 H new ATOM 0 HG SER A 18 5.045 -9.701 6.388 1.00 0.00 H new ATOM 334 N VAL A 19 6.300 -4.804 5.202 1.00 0.00 N ATOM 335 CA VAL A 19 7.010 -3.864 4.310 1.00 0.00 C ATOM 336 C VAL A 19 8.407 -4.374 3.978 1.00 0.00 C ATOM 337 O VAL A 19 9.209 -4.662 4.866 1.00 0.00 O ATOM 338 CB VAL A 19 7.082 -2.439 4.896 1.00 0.00 C ATOM 339 CG1 VAL A 19 7.981 -1.507 4.063 1.00 0.00 C ATOM 340 CG2 VAL A 19 5.696 -1.786 4.964 1.00 0.00 C ATOM 0 H VAL A 19 6.725 -4.871 6.127 1.00 0.00 H new ATOM 0 HA VAL A 19 6.429 -3.807 3.389 1.00 0.00 H new ATOM 0 HB VAL A 19 7.500 -2.561 5.895 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.998 -0.516 4.517 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.993 -1.910 4.032 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.589 -1.434 3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.786 -0.783 5.382 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.273 -1.724 3.961 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.042 -2.385 5.597 1.00 0.00 H new ATOM 350 N TYR A 20 8.724 -4.398 2.688 1.00 0.00 N ATOM 351 CA TYR A 20 10.038 -4.722 2.134 1.00 0.00 C ATOM 352 C TYR A 20 10.355 -3.754 0.991 1.00 0.00 C ATOM 353 O TYR A 20 9.657 -3.703 -0.024 1.00 0.00 O ATOM 354 CB TYR A 20 10.125 -6.203 1.707 1.00 0.00 C ATOM 355 CG TYR A 20 8.819 -6.982 1.740 1.00 0.00 C ATOM 356 CD1 TYR A 20 7.826 -6.735 0.772 1.00 0.00 C ATOM 357 CD2 TYR A 20 8.579 -7.908 2.774 1.00 0.00 C ATOM 358 CE1 TYR A 20 6.593 -7.411 0.838 1.00 0.00 C ATOM 359 CE2 TYR A 20 7.352 -8.590 2.840 1.00 0.00 C ATOM 360 CZ TYR A 20 6.355 -8.340 1.877 1.00 0.00 C ATOM 361 OH TYR A 20 5.172 -9.005 1.956 1.00 0.00 O ATOM 0 H TYR A 20 8.040 -4.182 1.963 1.00 0.00 H new ATOM 0 HA TYR A 20 10.798 -4.596 2.905 1.00 0.00 H new ATOM 0 HB2 TYR A 20 10.526 -6.246 0.694 1.00 0.00 H new ATOM 0 HB3 TYR A 20 10.842 -6.706 2.355 1.00 0.00 H new ATOM 0 HD1 TYR A 20 8.011 -6.026 -0.022 1.00 0.00 H new ATOM 0 HD2 TYR A 20 9.340 -8.094 3.518 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.831 -7.221 0.097 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.174 -9.306 3.629 1.00 0.00 H new ATOM 0 HH TYR A 20 5.184 -9.603 2.732 1.00 0.00 H new ATOM 371 N ARG A 21 11.406 -2.952 1.176 1.00 0.00 N ATOM 372 CA ARG A 21 11.827 -1.910 0.226 1.00 0.00 C ATOM 373 C ARG A 21 12.432 -2.543 -1.032 1.00 0.00 C ATOM 374 O ARG A 21 13.216 -3.491 -0.953 1.00 0.00 O ATOM 375 CB ARG A 21 12.772 -0.903 0.902 1.00 0.00 C ATOM 376 CG ARG A 21 12.115 -0.257 2.135 1.00 0.00 C ATOM 377 CD ARG A 21 13.017 0.797 2.780 1.00 0.00 C ATOM 378 NE ARG A 21 12.532 1.121 4.135 1.00 0.00 N ATOM 379 CZ ARG A 21 11.876 2.178 4.563 1.00 0.00 C ATOM 380 NH1 ARG A 21 11.493 2.190 5.804 1.00 0.00 N ATOM 381 NH2 ARG A 21 11.587 3.199 3.805 1.00 0.00 N ATOM 0 H ARG A 21 12.001 -3.006 2.003 1.00 0.00 H new ATOM 0 HA ARG A 21 10.951 -1.346 -0.094 1.00 0.00 H new ATOM 0 HB2 ARG A 21 13.691 -1.408 1.200 1.00 0.00 H new ATOM 0 HB3 ARG A 21 13.051 -0.128 0.188 1.00 0.00 H new ATOM 0 HG2 ARG A 21 11.171 0.203 1.843 1.00 0.00 H new ATOM 0 HG3 ARG A 21 11.880 -1.030 2.867 1.00 0.00 H new ATOM 0 HD2 ARG A 21 14.041 0.428 2.831 1.00 0.00 H new ATOM 0 HD3 ARG A 21 13.033 1.698 2.166 1.00 0.00 H new ATOM 0 HE ARG A 21 12.736 0.420 4.847 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.703 1.397 6.410 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.982 2.992 6.172 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.872 3.204 2.826 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.075 3.992 4.191 1.00 0.00 H new ATOM 395 N ILE A 22 12.020 -2.035 -2.190 1.00 0.00 N ATOM 396 CA ILE A 22 12.219 -2.684 -3.499 1.00 0.00 C ATOM 397 C ILE A 22 13.542 -2.275 -4.186 1.00 0.00 C ATOM 398 O ILE A 22 14.007 -1.146 -3.990 1.00 0.00 O ATOM 399 CB ILE A 22 10.987 -2.469 -4.410 1.00 0.00 C ATOM 400 CG1 ILE A 22 10.805 -0.994 -4.836 1.00 0.00 C ATOM 401 CG2 ILE A 22 9.723 -3.012 -3.715 1.00 0.00 C ATOM 402 CD1 ILE A 22 9.626 -0.784 -5.790 1.00 0.00 C ATOM 0 H ILE A 22 11.528 -1.144 -2.255 1.00 0.00 H new ATOM 0 HA ILE A 22 12.315 -3.754 -3.314 1.00 0.00 H new ATOM 0 HB ILE A 22 11.158 -3.027 -5.331 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.658 -0.381 -3.947 1.00 0.00 H new ATOM 0 HG13 ILE A 22 11.719 -0.646 -5.316 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.858 -2.858 -4.361 1.00 0.00 H new ATOM 0 HG22 ILE A 22 9.845 -4.077 -3.519 1.00 0.00 H new ATOM 0 HG23 ILE A 22 9.571 -2.485 -2.773 1.00 0.00 H new ATOM 0 HD11 ILE A 22 9.553 0.272 -6.051 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.781 -1.371 -6.695 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.704 -1.103 -5.304 1.00 0.00 H new ATOM 414 N PRO A 23 14.155 -3.152 -5.009 1.00 0.00 N ATOM 415 CA PRO A 23 15.328 -2.814 -5.819 1.00 0.00 C ATOM 416 C PRO A 23 14.973 -1.905 -7.018 1.00 0.00 C ATOM 417 O PRO A 23 13.803 -1.844 -7.416 1.00 0.00 O ATOM 418 CB PRO A 23 15.889 -4.164 -6.279 1.00 0.00 C ATOM 419 CG PRO A 23 14.641 -5.036 -6.394 1.00 0.00 C ATOM 420 CD PRO A 23 13.771 -4.541 -5.240 1.00 0.00 C ATOM 0 HA PRO A 23 16.056 -2.240 -5.246 1.00 0.00 H new ATOM 0 HB2 PRO A 23 16.411 -4.080 -7.232 1.00 0.00 H new ATOM 0 HB3 PRO A 23 16.600 -4.571 -5.560 1.00 0.00 H new ATOM 0 HG2 PRO A 23 14.146 -4.908 -7.357 1.00 0.00 H new ATOM 0 HG3 PRO A 23 14.878 -6.095 -6.296 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.713 -4.616 -5.490 1.00 0.00 H new ATOM 0 HD3 PRO A 23 13.931 -5.143 -4.346 1.00 0.00 H new ATOM 428 N PRO A 24 15.957 -1.221 -7.638 1.00 0.00 N ATOM 429 CA PRO A 24 15.745 -0.429 -8.852 1.00 0.00 C ATOM 430 C PRO A 24 15.358 -1.331 -10.040 1.00 0.00 C ATOM 431 O PRO A 24 16.155 -2.146 -10.515 1.00 0.00 O ATOM 432 CB PRO A 24 17.057 0.332 -9.078 1.00 0.00 C ATOM 433 CG PRO A 24 18.111 -0.555 -8.414 1.00 0.00 C ATOM 434 CD PRO A 24 17.357 -1.161 -7.232 1.00 0.00 C ATOM 0 HA PRO A 24 14.914 0.269 -8.753 1.00 0.00 H new ATOM 0 HB2 PRO A 24 17.262 0.470 -10.140 1.00 0.00 H new ATOM 0 HB3 PRO A 24 17.027 1.324 -8.627 1.00 0.00 H new ATOM 0 HG2 PRO A 24 18.479 -1.323 -9.095 1.00 0.00 H new ATOM 0 HG3 PRO A 24 18.976 0.022 -8.087 1.00 0.00 H new ATOM 0 HD2 PRO A 24 17.737 -2.154 -6.994 1.00 0.00 H new ATOM 0 HD3 PRO A 24 17.478 -0.551 -6.337 1.00 0.00 H new ATOM 442 N ARG A 25 14.107 -1.200 -10.498 1.00 0.00 N ATOM 443 CA ARG A 25 13.453 -2.051 -11.511 1.00 0.00 C ATOM 444 C ARG A 25 12.281 -1.314 -12.172 1.00 0.00 C ATOM 445 O ARG A 25 11.711 -0.388 -11.594 1.00 0.00 O ATOM 446 CB ARG A 25 12.997 -3.346 -10.804 1.00 0.00 C ATOM 447 CG ARG A 25 12.147 -4.349 -11.600 1.00 0.00 C ATOM 448 CD ARG A 25 12.850 -4.986 -12.814 1.00 0.00 C ATOM 449 NE ARG A 25 14.062 -5.731 -12.419 1.00 0.00 N ATOM 450 CZ ARG A 25 14.103 -6.817 -11.667 1.00 0.00 C ATOM 451 NH1 ARG A 25 15.233 -7.268 -11.206 1.00 0.00 N ATOM 452 NH2 ARG A 25 13.036 -7.470 -11.322 1.00 0.00 N ATOM 0 H ARG A 25 13.489 -0.463 -10.158 1.00 0.00 H new ATOM 0 HA ARG A 25 14.147 -2.297 -12.315 1.00 0.00 H new ATOM 0 HB2 ARG A 25 13.889 -3.868 -10.457 1.00 0.00 H new ATOM 0 HB3 ARG A 25 12.431 -3.059 -9.918 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.827 -5.144 -10.927 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.246 -3.843 -11.946 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.159 -5.659 -13.322 1.00 0.00 H new ATOM 0 HD3 ARG A 25 13.119 -4.207 -13.528 1.00 0.00 H new ATOM 0 HE ARG A 25 14.954 -5.373 -12.760 1.00 0.00 H new ATOM 0 HH11 ARG A 25 16.103 -6.782 -11.424 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.249 -8.107 -10.627 1.00 0.00 H new ATOM 0 HH21 ARG A 25 12.119 -7.149 -11.633 1.00 0.00 H new ATOM 0 HH22 ARG A 25 13.114 -8.304 -10.740 1.00 0.00 H new ATOM 466 N ALA A 26 11.909 -1.760 -13.370 1.00 0.00 N ATOM 467 CA ALA A 26 10.746 -1.294 -14.119 1.00 0.00 C ATOM 468 C ALA A 26 9.424 -1.434 -13.337 1.00 0.00 C ATOM 469 O ALA A 26 9.109 -2.484 -12.776 1.00 0.00 O ATOM 470 CB ALA A 26 10.683 -2.083 -15.425 1.00 0.00 C ATOM 0 H ALA A 26 12.430 -2.484 -13.864 1.00 0.00 H new ATOM 0 HA ALA A 26 10.863 -0.227 -14.309 1.00 0.00 H new ATOM 0 HB1 ALA A 26 9.822 -1.755 -16.007 1.00 0.00 H new ATOM 0 HB2 ALA A 26 11.594 -1.912 -15.998 1.00 0.00 H new ATOM 0 HB3 ALA A 26 10.588 -3.146 -15.204 1.00 0.00 H new ATOM 476 N SER A 27 8.626 -0.373 -13.374 1.00 0.00 N ATOM 477 CA SER A 27 7.416 -0.159 -12.573 1.00 0.00 C ATOM 478 C SER A 27 6.204 -0.938 -13.087 1.00 0.00 C ATOM 479 O SER A 27 5.576 -1.702 -12.353 1.00 0.00 O ATOM 480 CB SER A 27 7.131 1.348 -12.556 1.00 0.00 C ATOM 481 OG SER A 27 7.138 1.882 -13.879 1.00 0.00 O ATOM 0 H SER A 27 8.814 0.410 -14.000 1.00 0.00 H new ATOM 0 HA SER A 27 7.593 -0.537 -11.566 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.164 1.534 -12.089 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.880 1.857 -11.950 1.00 0.00 H new ATOM 0 HG SER A 27 6.952 2.844 -13.845 1.00 0.00 H new ATOM 487 N ASN A 28 5.918 -0.799 -14.383 1.00 0.00 N ATOM 488 CA ASN A 28 4.734 -1.357 -15.035 1.00 0.00 C ATOM 489 C ASN A 28 4.873 -2.837 -15.452 1.00 0.00 C ATOM 490 O ASN A 28 3.873 -3.462 -15.817 1.00 0.00 O ATOM 491 CB ASN A 28 4.348 -0.442 -16.214 1.00 0.00 C ATOM 492 CG ASN A 28 5.423 -0.364 -17.288 1.00 0.00 C ATOM 493 OD1 ASN A 28 5.528 -1.214 -18.160 1.00 0.00 O ATOM 494 ND2 ASN A 28 6.281 0.631 -17.239 1.00 0.00 N ATOM 0 H ASN A 28 6.520 -0.282 -15.024 1.00 0.00 H new ATOM 0 HA ASN A 28 3.927 -1.378 -14.303 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.423 -0.806 -16.661 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.147 0.561 -15.837 1.00 0.00 H new ATOM 0 HD21 ASN A 28 7.031 0.692 -17.927 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.196 1.342 -16.513 1.00 0.00 H new ATOM 501 N ARG A 29 6.094 -3.398 -15.412 1.00 0.00 N ATOM 502 CA ARG A 29 6.405 -4.742 -15.945 1.00 0.00 C ATOM 503 C ARG A 29 7.439 -5.570 -15.183 1.00 0.00 C ATOM 504 O ARG A 29 7.686 -6.702 -15.599 1.00 0.00 O ATOM 505 CB ARG A 29 6.770 -4.614 -17.442 1.00 0.00 C ATOM 506 CG ARG A 29 8.054 -3.829 -17.768 1.00 0.00 C ATOM 507 CD ARG A 29 9.334 -4.679 -17.736 1.00 0.00 C ATOM 508 NE ARG A 29 9.461 -5.549 -18.925 1.00 0.00 N ATOM 509 CZ ARG A 29 9.298 -6.859 -19.013 1.00 0.00 C ATOM 510 NH1 ARG A 29 9.550 -7.468 -20.137 1.00 0.00 N ATOM 511 NH2 ARG A 29 8.887 -7.601 -18.022 1.00 0.00 N ATOM 0 H ARG A 29 6.903 -2.929 -15.005 1.00 0.00 H new ATOM 0 HA ARG A 29 5.495 -5.325 -15.804 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.868 -5.617 -17.857 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.937 -4.136 -17.957 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.952 -3.382 -18.757 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.157 -3.010 -17.056 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.202 -4.022 -17.675 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.336 -5.295 -16.836 1.00 0.00 H new ATOM 0 HE ARG A 29 9.707 -5.075 -19.794 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.872 -6.935 -20.945 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.426 -8.478 -20.209 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.673 -7.175 -17.120 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.780 -8.607 -18.149 1.00 0.00 H new ATOM 525 N GLY A 30 8.117 -5.030 -14.164 1.00 0.00 N ATOM 526 CA GLY A 30 9.367 -5.631 -13.680 1.00 0.00 C ATOM 527 C GLY A 30 9.375 -6.231 -12.275 1.00 0.00 C ATOM 528 O GLY A 30 10.277 -7.019 -11.988 1.00 0.00 O ATOM 0 H GLY A 30 7.827 -4.190 -13.664 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.654 -6.416 -14.380 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.143 -4.867 -13.722 1.00 0.00 H new ATOM 532 N TYR A 31 8.429 -5.892 -11.397 1.00 0.00 N ATOM 533 CA TYR A 31 8.363 -6.465 -10.049 1.00 0.00 C ATOM 534 C TYR A 31 7.605 -7.798 -10.065 1.00 0.00 C ATOM 535 O TYR A 31 6.444 -7.827 -10.461 1.00 0.00 O ATOM 536 CB TYR A 31 7.664 -5.510 -9.072 1.00 0.00 C ATOM 537 CG TYR A 31 8.016 -4.036 -9.139 1.00 0.00 C ATOM 538 CD1 TYR A 31 9.347 -3.611 -9.318 1.00 0.00 C ATOM 539 CD2 TYR A 31 6.987 -3.083 -9.008 1.00 0.00 C ATOM 540 CE1 TYR A 31 9.641 -2.238 -9.393 1.00 0.00 C ATOM 541 CE2 TYR A 31 7.280 -1.710 -9.069 1.00 0.00 C ATOM 542 CZ TYR A 31 8.611 -1.281 -9.265 1.00 0.00 C ATOM 543 OH TYR A 31 8.896 0.049 -9.334 1.00 0.00 O ATOM 0 H TYR A 31 7.691 -5.217 -11.597 1.00 0.00 H new ATOM 0 HA TYR A 31 9.388 -6.628 -9.717 1.00 0.00 H new ATOM 0 HB2 TYR A 31 6.589 -5.603 -9.226 1.00 0.00 H new ATOM 0 HB3 TYR A 31 7.872 -5.857 -8.060 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.141 -4.339 -9.398 1.00 0.00 H new ATOM 0 HD2 TYR A 31 5.968 -3.409 -8.860 1.00 0.00 H new ATOM 0 HE1 TYR A 31 10.659 -1.914 -9.549 1.00 0.00 H new ATOM 0 HE2 TYR A 31 6.488 -0.983 -8.966 1.00 0.00 H new ATOM 0 HH TYR A 31 8.071 0.566 -9.227 1.00 0.00 H new ATOM 553 N ARG A 32 8.190 -8.883 -9.555 1.00 0.00 N ATOM 554 CA ARG A 32 7.538 -10.222 -9.478 1.00 0.00 C ATOM 555 C ARG A 32 7.377 -10.739 -8.056 1.00 0.00 C ATOM 556 O ARG A 32 7.322 -11.945 -7.829 1.00 0.00 O ATOM 557 CB ARG A 32 8.183 -11.269 -10.411 1.00 0.00 C ATOM 558 CG ARG A 32 9.695 -11.430 -10.279 1.00 0.00 C ATOM 559 CD ARG A 32 10.386 -10.582 -11.345 1.00 0.00 C ATOM 560 NE ARG A 32 11.824 -10.551 -11.083 1.00 0.00 N ATOM 561 CZ ARG A 32 12.800 -11.284 -11.571 1.00 0.00 C ATOM 562 NH1 ARG A 32 13.974 -11.164 -11.026 1.00 0.00 N ATOM 563 NH2 ARG A 32 12.642 -12.122 -12.556 1.00 0.00 N ATOM 0 H ARG A 32 9.137 -8.873 -9.177 1.00 0.00 H new ATOM 0 HA ARG A 32 6.528 -10.060 -9.854 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.715 -12.235 -10.221 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.953 -11.001 -11.442 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.020 -11.122 -9.285 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.973 -12.478 -10.395 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.194 -10.995 -12.335 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.982 -9.570 -11.339 1.00 0.00 H new ATOM 0 HE ARG A 32 12.119 -9.843 -10.410 1.00 0.00 H new ATOM 0 HH11 ARG A 32 14.112 -10.518 -10.248 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.757 -11.715 -11.376 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.725 -12.234 -12.988 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.435 -12.666 -12.895 1.00 0.00 H new ATOM 577 N ALA A 33 7.306 -9.812 -7.105 1.00 0.00 N ATOM 578 CA ALA A 33 7.335 -10.013 -5.656 1.00 0.00 C ATOM 579 C ALA A 33 8.619 -10.682 -5.107 1.00 0.00 C ATOM 580 O ALA A 33 9.175 -10.226 -4.109 1.00 0.00 O ATOM 581 CB ALA A 33 6.052 -10.760 -5.295 1.00 0.00 C ATOM 0 H ALA A 33 7.220 -8.824 -7.344 1.00 0.00 H new ATOM 0 HA ALA A 33 7.373 -9.042 -5.161 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.024 -10.936 -4.220 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.189 -10.163 -5.588 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.027 -11.715 -5.820 1.00 0.00 H new ATOM 587 N SER A 34 9.141 -11.712 -5.779 1.00 0.00 N ATOM 588 CA SER A 34 10.344 -12.470 -5.414 1.00 0.00 C ATOM 589 C SER A 34 11.649 -11.664 -5.490 1.00 0.00 C ATOM 590 O SER A 34 12.651 -12.061 -4.891 1.00 0.00 O ATOM 591 CB SER A 34 10.441 -13.722 -6.289 1.00 0.00 C ATOM 592 OG SER A 34 10.573 -13.375 -7.658 1.00 0.00 O ATOM 0 H SER A 34 8.714 -12.059 -6.638 1.00 0.00 H new ATOM 0 HA SER A 34 10.231 -12.739 -4.364 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.296 -14.322 -5.978 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.552 -14.337 -6.150 1.00 0.00 H new ATOM 0 HG SER A 34 10.635 -14.191 -8.198 1.00 0.00 H new ATOM 598 N ASP A 35 11.645 -10.508 -6.164 1.00 0.00 N ATOM 599 CA ASP A 35 12.742 -9.526 -6.094 1.00 0.00 C ATOM 600 C ASP A 35 12.939 -8.931 -4.686 1.00 0.00 C ATOM 601 O ASP A 35 14.027 -8.451 -4.359 1.00 0.00 O ATOM 602 CB ASP A 35 12.449 -8.350 -7.030 1.00 0.00 C ATOM 603 CG ASP A 35 12.264 -8.772 -8.473 1.00 0.00 C ATOM 604 OD1 ASP A 35 13.257 -9.148 -9.143 1.00 0.00 O ATOM 605 OD2 ASP A 35 11.115 -8.707 -8.960 1.00 0.00 O ATOM 0 H ASP A 35 10.880 -10.223 -6.776 1.00 0.00 H new ATOM 0 HA ASP A 35 13.643 -10.070 -6.378 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.549 -7.837 -6.689 1.00 0.00 H new ATOM 0 HB3 ASP A 35 13.267 -7.632 -6.969 1.00 0.00 H new ATOM 610 N TRP A 36 11.878 -8.903 -3.873 1.00 0.00 N ATOM 611 CA TRP A 36 11.811 -8.174 -2.609 1.00 0.00 C ATOM 612 C TRP A 36 12.186 -9.077 -1.425 1.00 0.00 C ATOM 613 O TRP A 36 12.195 -10.309 -1.512 1.00 0.00 O ATOM 614 CB TRP A 36 10.405 -7.567 -2.431 1.00 0.00 C ATOM 615 CG TRP A 36 9.746 -6.882 -3.601 1.00 0.00 C ATOM 616 CD1 TRP A 36 10.338 -6.428 -4.734 1.00 0.00 C ATOM 617 CD2 TRP A 36 8.331 -6.543 -3.745 1.00 0.00 C ATOM 618 NE1 TRP A 36 9.383 -5.928 -5.600 1.00 0.00 N ATOM 619 CE2 TRP A 36 8.144 -5.916 -5.012 1.00 0.00 C ATOM 620 CE3 TRP A 36 7.187 -6.687 -2.931 1.00 0.00 C ATOM 621 CZ2 TRP A 36 6.907 -5.438 -5.445 1.00 0.00 C ATOM 622 CZ3 TRP A 36 5.937 -6.184 -3.344 1.00 0.00 C ATOM 623 CH2 TRP A 36 5.799 -5.553 -4.592 1.00 0.00 C ATOM 0 H TRP A 36 11.016 -9.404 -4.087 1.00 0.00 H new ATOM 0 HA TRP A 36 12.539 -7.363 -2.634 1.00 0.00 H new ATOM 0 HB2 TRP A 36 9.741 -8.367 -2.103 1.00 0.00 H new ATOM 0 HB3 TRP A 36 10.460 -6.845 -1.617 1.00 0.00 H new ATOM 0 HD1 TRP A 36 11.400 -6.453 -4.931 1.00 0.00 H new ATOM 0 HE1 TRP A 36 9.575 -5.610 -6.550 1.00 0.00 H new ATOM 0 HE3 TRP A 36 7.271 -7.189 -1.979 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 6.804 -4.987 -6.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 5.079 -6.284 -2.696 1.00 0.00 H new ATOM 0 HH2 TRP A 36 4.841 -5.157 -4.894 1.00 0.00 H new ATOM 634 N LYS A 37 12.462 -8.454 -0.277 1.00 0.00 N ATOM 635 CA LYS A 37 12.834 -9.112 0.991 1.00 0.00 C ATOM 636 C LYS A 37 11.651 -9.742 1.744 1.00 0.00 C ATOM 637 O LYS A 37 11.442 -9.491 2.930 1.00 0.00 O ATOM 638 CB LYS A 37 13.674 -8.146 1.844 1.00 0.00 C ATOM 639 CG LYS A 37 15.102 -8.070 1.294 1.00 0.00 C ATOM 640 CD LYS A 37 16.050 -7.364 2.272 1.00 0.00 C ATOM 641 CE LYS A 37 17.466 -7.916 2.091 1.00 0.00 C ATOM 642 NZ LYS A 37 18.123 -7.412 0.855 1.00 0.00 N ATOM 0 H LYS A 37 12.433 -7.438 -0.195 1.00 0.00 H new ATOM 0 HA LYS A 37 13.453 -9.976 0.750 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.220 -7.155 1.840 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.692 -8.484 2.880 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.469 -9.077 1.094 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.098 -7.538 0.343 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.041 -6.289 2.093 1.00 0.00 H new ATOM 0 HD3 LYS A 37 15.715 -7.519 3.298 1.00 0.00 H new ATOM 0 HE2 LYS A 37 18.071 -7.645 2.956 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.426 -9.005 2.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 19.078 -7.816 0.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.563 -7.693 0.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.188 -6.375 0.894 1.00 0.00 H new ATOM 656 N LEU A 38 10.914 -10.620 1.066 1.00 0.00 N ATOM 657 CA LEU A 38 9.736 -11.316 1.605 1.00 0.00 C ATOM 658 C LEU A 38 10.037 -12.172 2.850 1.00 0.00 C ATOM 659 O LEU A 38 9.143 -12.398 3.665 1.00 0.00 O ATOM 660 CB LEU A 38 9.114 -12.207 0.512 1.00 0.00 C ATOM 661 CG LEU A 38 8.783 -11.516 -0.822 1.00 0.00 C ATOM 662 CD1 LEU A 38 8.059 -12.510 -1.733 1.00 0.00 C ATOM 663 CD2 LEU A 38 7.909 -10.275 -0.651 1.00 0.00 C ATOM 0 H LEU A 38 11.121 -10.877 0.101 1.00 0.00 H new ATOM 0 HA LEU A 38 9.039 -10.539 1.920 1.00 0.00 H new ATOM 0 HB2 LEU A 38 9.799 -13.030 0.310 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.197 -12.645 0.908 1.00 0.00 H new ATOM 0 HG LEU A 38 9.727 -11.190 -1.259 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.821 -12.028 -2.681 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.702 -13.371 -1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.138 -12.840 -1.252 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.710 -9.833 -1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.966 -10.556 -0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.426 -9.550 -0.022 1.00 0.00 H new ATOM 675 N ASP A 39 11.284 -12.637 3.015 1.00 0.00 N ATOM 676 CA ASP A 39 11.696 -13.482 4.150 1.00 0.00 C ATOM 677 C ASP A 39 12.312 -12.672 5.314 1.00 0.00 C ATOM 678 O ASP A 39 12.549 -13.216 6.394 1.00 0.00 O ATOM 679 CB ASP A 39 12.631 -14.587 3.630 1.00 0.00 C ATOM 680 CG ASP A 39 12.840 -15.725 4.649 1.00 0.00 C ATOM 681 OD1 ASP A 39 11.836 -16.327 5.101 1.00 0.00 O ATOM 682 OD2 ASP A 39 14.009 -16.070 4.951 1.00 0.00 O ATOM 0 H ASP A 39 12.041 -12.437 2.362 1.00 0.00 H new ATOM 0 HA ASP A 39 10.809 -13.944 4.584 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.219 -15.001 2.710 1.00 0.00 H new ATOM 0 HB3 ASP A 39 13.597 -14.150 3.378 1.00 0.00 H new ATOM 687 N GLN A 40 12.546 -11.367 5.113 1.00 0.00 N ATOM 688 CA GLN A 40 13.038 -10.438 6.141 1.00 0.00 C ATOM 689 C GLN A 40 12.529 -8.994 5.908 1.00 0.00 C ATOM 690 O GLN A 40 13.275 -8.149 5.400 1.00 0.00 O ATOM 691 CB GLN A 40 14.578 -10.528 6.285 1.00 0.00 C ATOM 692 CG GLN A 40 15.426 -10.456 4.999 1.00 0.00 C ATOM 693 CD GLN A 40 15.507 -11.774 4.228 1.00 0.00 C ATOM 694 OE1 GLN A 40 15.826 -12.828 4.761 1.00 0.00 O ATOM 695 NE2 GLN A 40 15.253 -11.769 2.935 1.00 0.00 N ATOM 0 H GLN A 40 12.395 -10.918 4.210 1.00 0.00 H new ATOM 0 HA GLN A 40 12.619 -10.745 7.099 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.900 -9.722 6.944 1.00 0.00 H new ATOM 0 HB3 GLN A 40 14.813 -11.465 6.789 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.009 -9.690 4.345 1.00 0.00 H new ATOM 0 HG3 GLN A 40 16.435 -10.138 5.260 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.985 -10.901 2.471 1.00 0.00 H new ATOM 0 HE22 GLN A 40 15.324 -12.633 2.398 1.00 0.00 H new ATOM 704 N PRO A 41 11.267 -8.682 6.277 1.00 0.00 N ATOM 705 CA PRO A 41 10.706 -7.333 6.179 1.00 0.00 C ATOM 706 C PRO A 41 11.550 -6.274 6.907 1.00 0.00 C ATOM 707 O PRO A 41 12.138 -6.533 7.961 1.00 0.00 O ATOM 708 CB PRO A 41 9.293 -7.414 6.777 1.00 0.00 C ATOM 709 CG PRO A 41 8.922 -8.886 6.612 1.00 0.00 C ATOM 710 CD PRO A 41 10.258 -9.602 6.788 1.00 0.00 C ATOM 0 HA PRO A 41 10.692 -7.013 5.137 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.282 -7.112 7.824 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.596 -6.763 6.250 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.193 -9.204 7.357 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.484 -9.084 5.634 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.440 -9.840 7.836 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.273 -10.544 6.240 1.00 0.00 H new ATOM 718 N ASP A 42 11.556 -5.051 6.377 1.00 0.00 N ATOM 719 CA ASP A 42 12.107 -3.869 7.052 1.00 0.00 C ATOM 720 C ASP A 42 11.215 -3.431 8.233 1.00 0.00 C ATOM 721 O ASP A 42 11.703 -2.887 9.226 1.00 0.00 O ATOM 722 CB ASP A 42 12.249 -2.742 6.018 1.00 0.00 C ATOM 723 CG ASP A 42 12.927 -1.489 6.599 1.00 0.00 C ATOM 724 OD1 ASP A 42 12.321 -0.393 6.524 1.00 0.00 O ATOM 725 OD2 ASP A 42 14.087 -1.584 7.061 1.00 0.00 O ATOM 0 H ASP A 42 11.173 -4.847 5.454 1.00 0.00 H new ATOM 0 HA ASP A 42 13.084 -4.110 7.470 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.829 -3.104 5.169 1.00 0.00 H new ATOM 0 HB3 ASP A 42 11.262 -2.474 5.640 1.00 0.00 H new ATOM 730 N TRP A 43 9.908 -3.706 8.134 1.00 0.00 N ATOM 731 CA TRP A 43 8.888 -3.438 9.149 1.00 0.00 C ATOM 732 C TRP A 43 7.673 -4.368 8.966 1.00 0.00 C ATOM 733 O TRP A 43 7.381 -4.805 7.850 1.00 0.00 O ATOM 734 CB TRP A 43 8.482 -1.961 9.034 1.00 0.00 C ATOM 735 CG TRP A 43 7.327 -1.517 9.873 1.00 0.00 C ATOM 736 CD1 TRP A 43 7.402 -0.973 11.109 1.00 0.00 C ATOM 737 CD2 TRP A 43 5.910 -1.528 9.523 1.00 0.00 C ATOM 738 NE1 TRP A 43 6.136 -0.623 11.536 1.00 0.00 N ATOM 739 CE2 TRP A 43 5.182 -0.913 10.582 1.00 0.00 C ATOM 740 CE3 TRP A 43 5.170 -1.979 8.409 1.00 0.00 C ATOM 741 CZ2 TRP A 43 3.798 -0.713 10.516 1.00 0.00 C ATOM 742 CZ3 TRP A 43 3.778 -1.772 8.333 1.00 0.00 C ATOM 743 CH2 TRP A 43 3.089 -1.162 9.392 1.00 0.00 C ATOM 0 H TRP A 43 9.516 -4.144 7.300 1.00 0.00 H new ATOM 0 HA TRP A 43 9.287 -3.634 10.144 1.00 0.00 H new ATOM 0 HB2 TRP A 43 9.346 -1.349 9.293 1.00 0.00 H new ATOM 0 HB3 TRP A 43 8.245 -1.753 7.991 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.311 -0.834 11.675 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.932 -0.203 12.443 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.677 -2.490 7.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.280 -0.217 11.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.237 -2.086 7.452 1.00 0.00 H new ATOM 0 HH2 TRP A 43 2.017 -1.039 9.342 1.00 0.00 H new ATOM 754 N THR A 44 6.938 -4.645 10.046 1.00 0.00 N ATOM 755 CA THR A 44 5.628 -5.325 10.016 1.00 0.00 C ATOM 756 C THR A 44 4.622 -4.634 10.935 1.00 0.00 C ATOM 757 O THR A 44 4.990 -4.080 11.975 1.00 0.00 O ATOM 758 CB THR A 44 5.712 -6.811 10.401 1.00 0.00 C ATOM 759 OG1 THR A 44 6.348 -7.001 11.650 1.00 0.00 O ATOM 760 CG2 THR A 44 6.463 -7.648 9.376 1.00 0.00 C ATOM 0 H THR A 44 7.238 -4.400 10.989 1.00 0.00 H new ATOM 0 HA THR A 44 5.292 -5.261 8.981 1.00 0.00 H new ATOM 0 HB THR A 44 4.674 -7.141 10.449 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.708 -7.911 11.699 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.489 -8.687 9.703 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.957 -7.584 8.413 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.482 -7.274 9.277 1.00 0.00 H new ATOM 768 N GLY A 45 3.338 -4.692 10.578 1.00 0.00 N ATOM 769 CA GLY A 45 2.273 -4.052 11.348 1.00 0.00 C ATOM 770 C GLY A 45 0.886 -4.245 10.743 1.00 0.00 C ATOM 771 O GLY A 45 0.548 -5.332 10.270 1.00 0.00 O ATOM 0 H GLY A 45 3.008 -5.184 9.747 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.278 -4.452 12.362 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.482 -2.985 11.425 1.00 0.00 H new ATOM 775 N ARG A 46 0.076 -3.184 10.795 1.00 0.00 N ATOM 776 CA ARG A 46 -1.342 -3.155 10.413 1.00 0.00 C ATOM 777 C ARG A 46 -1.602 -2.164 9.276 1.00 0.00 C ATOM 778 O ARG A 46 -0.952 -1.121 9.171 1.00 0.00 O ATOM 779 CB ARG A 46 -2.205 -2.818 11.639 1.00 0.00 C ATOM 780 CG ARG A 46 -1.980 -3.765 12.831 1.00 0.00 C ATOM 781 CD ARG A 46 -2.983 -3.509 13.966 1.00 0.00 C ATOM 782 NE ARG A 46 -2.731 -2.219 14.642 1.00 0.00 N ATOM 783 CZ ARG A 46 -3.293 -1.047 14.415 1.00 0.00 C ATOM 784 NH1 ARG A 46 -2.848 -0.015 15.060 1.00 0.00 N ATOM 785 NH2 ARG A 46 -4.249 -0.868 13.550 1.00 0.00 N ATOM 0 H ARG A 46 0.406 -2.276 11.121 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.615 -4.144 10.045 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.992 -1.796 11.953 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.256 -2.851 11.353 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.068 -4.798 12.495 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.965 -3.638 13.208 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.996 -3.517 13.564 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.923 -4.318 14.694 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.030 -2.237 15.382 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.081 -0.120 15.724 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.265 0.903 14.903 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.600 -1.657 13.007 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.647 0.061 13.415 1.00 0.00 H new ATOM 799 N LEU A 47 -2.579 -2.495 8.437 1.00 0.00 N ATOM 800 CA LEU A 47 -3.055 -1.681 7.317 1.00 0.00 C ATOM 801 C LEU A 47 -4.103 -0.665 7.794 1.00 0.00 C ATOM 802 O LEU A 47 -4.979 -1.026 8.582 1.00 0.00 O ATOM 803 CB LEU A 47 -3.666 -2.642 6.278 1.00 0.00 C ATOM 804 CG LEU A 47 -4.264 -1.969 5.027 1.00 0.00 C ATOM 805 CD1 LEU A 47 -3.177 -1.384 4.126 1.00 0.00 C ATOM 806 CD2 LEU A 47 -5.071 -2.996 4.236 1.00 0.00 C ATOM 0 H LEU A 47 -3.085 -3.377 8.521 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.232 -1.116 6.879 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.895 -3.343 5.959 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.447 -3.227 6.764 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.905 -1.153 5.359 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.638 -0.918 3.255 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.609 -0.636 4.679 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.507 -2.180 3.800 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.495 -2.522 3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.419 -3.815 3.932 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.876 -3.385 4.860 1.00 0.00 H new ATOM 818 N ARG A 48 -4.084 0.554 7.243 1.00 0.00 N ATOM 819 CA ARG A 48 -5.181 1.533 7.350 1.00 0.00 C ATOM 820 C ARG A 48 -5.357 2.308 6.041 1.00 0.00 C ATOM 821 O ARG A 48 -4.708 3.322 5.800 1.00 0.00 O ATOM 822 CB ARG A 48 -4.936 2.449 8.565 1.00 0.00 C ATOM 823 CG ARG A 48 -6.016 3.540 8.707 1.00 0.00 C ATOM 824 CD ARG A 48 -5.819 4.417 9.945 1.00 0.00 C ATOM 825 NE ARG A 48 -6.025 3.653 11.184 1.00 0.00 N ATOM 826 CZ ARG A 48 -6.937 3.806 12.122 1.00 0.00 C ATOM 827 NH1 ARG A 48 -6.909 2.982 13.125 1.00 0.00 N ATOM 828 NH2 ARG A 48 -7.855 4.730 12.110 1.00 0.00 N ATOM 0 H ARG A 48 -3.292 0.898 6.699 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.123 1.011 7.516 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.912 1.845 9.472 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.958 2.920 8.470 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.008 4.170 7.817 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.997 3.068 8.755 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.813 4.837 9.938 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.515 5.255 9.913 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.364 2.892 11.340 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.199 2.251 13.165 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.597 3.066 13.873 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.899 5.395 11.338 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.530 4.788 12.872 1.00 0.00 H new ATOM 842 N ILE A 49 -6.278 1.850 5.201 1.00 0.00 N ATOM 843 CA ILE A 49 -6.731 2.591 4.023 1.00 0.00 C ATOM 844 C ILE A 49 -7.800 3.592 4.454 1.00 0.00 C ATOM 845 O ILE A 49 -8.781 3.238 5.114 1.00 0.00 O ATOM 846 CB ILE A 49 -7.240 1.672 2.897 1.00 0.00 C ATOM 847 CG1 ILE A 49 -6.212 0.562 2.598 1.00 0.00 C ATOM 848 CG2 ILE A 49 -7.526 2.530 1.650 1.00 0.00 C ATOM 849 CD1 ILE A 49 -6.659 -0.390 1.494 1.00 0.00 C ATOM 0 H ILE A 49 -6.737 0.947 5.317 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.877 3.121 3.601 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.162 1.179 3.206 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.265 1.020 2.312 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.028 -0.009 3.508 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.887 1.891 0.844 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -8.283 3.277 1.888 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.610 3.029 1.334 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.891 -1.147 1.333 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.590 -0.875 1.787 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.816 0.170 0.572 1.00 0.00 H new ATOM 861 N THR A 50 -7.598 4.842 4.057 1.00 0.00 N ATOM 862 CA THR A 50 -8.415 6.012 4.395 1.00 0.00 C ATOM 863 C THR A 50 -8.561 6.934 3.178 1.00 0.00 C ATOM 864 O THR A 50 -7.936 6.707 2.144 1.00 0.00 O ATOM 865 CB THR A 50 -7.790 6.766 5.586 1.00 0.00 C ATOM 866 OG1 THR A 50 -6.402 6.930 5.464 1.00 0.00 O ATOM 867 CG2 THR A 50 -8.044 6.087 6.927 1.00 0.00 C ATOM 0 H THR A 50 -6.813 5.086 3.453 1.00 0.00 H new ATOM 0 HA THR A 50 -9.411 5.676 4.684 1.00 0.00 H new ATOM 0 HB THR A 50 -8.286 7.737 5.562 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.097 6.526 4.625 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.578 6.668 7.723 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.117 6.023 7.105 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.618 5.084 6.913 1.00 0.00 H new ATOM 875 N SER A 51 -9.406 7.963 3.259 1.00 0.00 N ATOM 876 CA SER A 51 -9.590 8.979 2.212 1.00 0.00 C ATOM 877 C SER A 51 -10.115 10.292 2.775 1.00 0.00 C ATOM 878 O SER A 51 -10.777 10.312 3.814 1.00 0.00 O ATOM 879 CB SER A 51 -10.539 8.435 1.139 1.00 0.00 C ATOM 880 OG SER A 51 -10.692 9.343 0.065 1.00 0.00 O ATOM 0 H SER A 51 -9.998 8.120 4.074 1.00 0.00 H new ATOM 0 HA SER A 51 -8.617 9.192 1.769 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.156 7.487 0.762 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.513 8.231 1.584 1.00 0.00 H new ATOM 0 HG SER A 51 -11.301 8.962 -0.601 1.00 0.00 H new ATOM 886 N LYS A 52 -9.816 11.401 2.092 1.00 0.00 N ATOM 887 CA LYS A 52 -10.498 12.685 2.269 1.00 0.00 C ATOM 888 C LYS A 52 -10.374 13.551 1.011 1.00 0.00 C ATOM 889 O LYS A 52 -9.272 13.853 0.556 1.00 0.00 O ATOM 890 CB LYS A 52 -9.944 13.401 3.509 1.00 0.00 C ATOM 891 CG LYS A 52 -10.860 14.495 4.080 1.00 0.00 C ATOM 892 CD LYS A 52 -12.219 14.023 4.631 1.00 0.00 C ATOM 893 CE LYS A 52 -12.048 13.115 5.855 1.00 0.00 C ATOM 894 NZ LYS A 52 -13.357 12.679 6.407 1.00 0.00 N ATOM 0 H LYS A 52 -9.079 11.431 1.387 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.561 12.504 2.426 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.757 12.660 4.286 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.982 13.847 3.255 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.325 15.007 4.880 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.044 15.231 3.297 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -12.823 14.889 4.901 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -12.761 13.487 3.852 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.461 12.239 5.579 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.487 13.645 6.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.292 12.610 7.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -14.090 13.372 6.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.607 11.749 6.014 1.00 0.00 H new ATOM 908 N GLY A 53 -11.517 13.967 0.467 1.00 0.00 N ATOM 909 CA GLY A 53 -11.608 15.008 -0.571 1.00 0.00 C ATOM 910 C GLY A 53 -11.077 14.592 -1.950 1.00 0.00 C ATOM 911 O GLY A 53 -10.317 15.340 -2.567 1.00 0.00 O ATOM 0 H GLY A 53 -12.425 13.587 0.736 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.651 15.308 -0.674 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.056 15.886 -0.235 1.00 0.00 H new ATOM 915 N LYS A 54 -11.463 13.395 -2.419 1.00 0.00 N ATOM 916 CA LYS A 54 -11.013 12.757 -3.679 1.00 0.00 C ATOM 917 C LYS A 54 -9.508 12.443 -3.709 1.00 0.00 C ATOM 918 O LYS A 54 -8.900 12.355 -4.775 1.00 0.00 O ATOM 919 CB LYS A 54 -11.514 13.521 -4.926 1.00 0.00 C ATOM 920 CG LYS A 54 -13.047 13.635 -4.992 1.00 0.00 C ATOM 921 CD LYS A 54 -13.539 14.365 -6.250 1.00 0.00 C ATOM 922 CE LYS A 54 -13.141 15.849 -6.251 1.00 0.00 C ATOM 923 NZ LYS A 54 -13.671 16.558 -7.446 1.00 0.00 N ATOM 0 H LYS A 54 -12.129 12.813 -1.910 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.490 11.778 -3.711 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.081 14.521 -4.929 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.155 13.015 -5.822 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.482 12.636 -4.965 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -13.405 14.163 -4.108 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.127 13.879 -7.135 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -14.624 14.281 -6.316 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.517 16.328 -5.347 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.055 15.935 -6.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.383 17.557 -7.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.292 16.117 -8.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.709 16.497 -7.454 1.00 0.00 H new ATOM 937 N THR A 55 -8.931 12.214 -2.529 1.00 0.00 N ATOM 938 CA THR A 55 -7.568 11.714 -2.327 1.00 0.00 C ATOM 939 C THR A 55 -7.597 10.628 -1.255 1.00 0.00 C ATOM 940 O THR A 55 -8.001 10.887 -0.120 1.00 0.00 O ATOM 941 CB THR A 55 -6.617 12.843 -1.904 1.00 0.00 C ATOM 942 OG1 THR A 55 -6.621 13.887 -2.859 1.00 0.00 O ATOM 943 CG2 THR A 55 -5.174 12.357 -1.793 1.00 0.00 C ATOM 0 H THR A 55 -9.420 12.378 -1.649 1.00 0.00 H new ATOM 0 HA THR A 55 -7.199 11.305 -3.268 1.00 0.00 H new ATOM 0 HB THR A 55 -6.974 13.192 -0.935 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.010 14.597 -2.570 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.533 13.186 -1.492 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.114 11.563 -1.049 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.843 11.975 -2.759 1.00 0.00 H new ATOM 951 N ALA A 56 -7.165 9.417 -1.606 1.00 0.00 N ATOM 952 CA ALA A 56 -7.027 8.300 -0.675 1.00 0.00 C ATOM 953 C ALA A 56 -5.649 8.317 0.007 1.00 0.00 C ATOM 954 O ALA A 56 -4.704 8.908 -0.512 1.00 0.00 O ATOM 955 CB ALA A 56 -7.320 6.986 -1.405 1.00 0.00 C ATOM 0 H ALA A 56 -6.897 9.182 -2.562 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.758 8.398 0.128 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.217 6.153 -0.710 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.336 7.007 -1.798 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.615 6.862 -2.227 1.00 0.00 H new ATOM 961 N TYR A 57 -5.526 7.651 1.152 1.00 0.00 N ATOM 962 CA TYR A 57 -4.298 7.522 1.933 1.00 0.00 C ATOM 963 C TYR A 57 -4.164 6.077 2.432 1.00 0.00 C ATOM 964 O TYR A 57 -4.959 5.621 3.256 1.00 0.00 O ATOM 965 CB TYR A 57 -4.298 8.526 3.105 1.00 0.00 C ATOM 966 CG TYR A 57 -4.616 9.962 2.727 1.00 0.00 C ATOM 967 CD1 TYR A 57 -5.917 10.474 2.915 1.00 0.00 C ATOM 968 CD2 TYR A 57 -3.616 10.774 2.161 1.00 0.00 C ATOM 969 CE1 TYR A 57 -6.234 11.776 2.482 1.00 0.00 C ATOM 970 CE2 TYR A 57 -3.928 12.079 1.731 1.00 0.00 C ATOM 971 CZ TYR A 57 -5.242 12.576 1.870 1.00 0.00 C ATOM 972 OH TYR A 57 -5.541 13.825 1.421 1.00 0.00 O ATOM 0 H TYR A 57 -6.314 7.165 1.580 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.438 7.754 1.305 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.024 8.193 3.847 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.319 8.501 3.583 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.672 9.866 3.392 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -2.609 10.397 2.056 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -7.233 12.163 2.617 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.160 12.700 1.294 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.740 14.232 1.030 1.00 0.00 H new ATOM 982 N ILE A 58 -3.155 5.343 1.959 1.00 0.00 N ATOM 983 CA ILE A 58 -2.764 4.058 2.559 1.00 0.00 C ATOM 984 C ILE A 58 -1.801 4.383 3.696 1.00 0.00 C ATOM 985 O ILE A 58 -0.601 4.546 3.468 1.00 0.00 O ATOM 986 CB ILE A 58 -2.176 3.062 1.529 1.00 0.00 C ATOM 987 CG1 ILE A 58 -3.152 2.664 0.397 1.00 0.00 C ATOM 988 CG2 ILE A 58 -1.748 1.763 2.239 1.00 0.00 C ATOM 989 CD1 ILE A 58 -3.245 3.684 -0.740 1.00 0.00 C ATOM 0 H ILE A 58 -2.588 5.616 1.156 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.640 3.537 2.944 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.335 3.587 1.077 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.840 1.705 -0.016 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.145 2.520 0.823 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.336 1.068 1.508 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.992 1.991 2.990 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.614 1.310 2.722 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.950 3.328 -1.491 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.588 4.640 -0.344 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.263 3.812 -1.196 1.00 0.00 H new ATOM 1001 N LYS A 59 -2.336 4.526 4.911 1.00 0.00 N ATOM 1002 CA LYS A 59 -1.556 4.675 6.142 1.00 0.00 C ATOM 1003 C LYS A 59 -1.161 3.294 6.693 1.00 0.00 C ATOM 1004 O LYS A 59 -1.906 2.320 6.573 1.00 0.00 O ATOM 1005 CB LYS A 59 -2.328 5.532 7.169 1.00 0.00 C ATOM 1006 CG LYS A 59 -2.964 6.813 6.580 1.00 0.00 C ATOM 1007 CD LYS A 59 -3.463 7.760 7.682 1.00 0.00 C ATOM 1008 CE LYS A 59 -4.279 8.930 7.112 1.00 0.00 C ATOM 1009 NZ LYS A 59 -4.833 9.783 8.200 1.00 0.00 N ATOM 0 H LYS A 59 -3.343 4.542 5.070 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.629 5.206 5.924 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.114 4.923 7.615 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.648 5.815 7.973 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.232 7.330 5.960 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.796 6.540 5.931 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.076 7.201 8.389 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.610 8.150 8.238 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.647 9.533 6.460 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.093 8.544 6.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.186 10.674 7.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.614 9.282 8.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.086 9.989 8.894 1.00 0.00 H new ATOM 1023 N LEU A 60 0.016 3.210 7.303 1.00 0.00 N ATOM 1024 CA LEU A 60 0.520 2.038 8.027 1.00 0.00 C ATOM 1025 C LEU A 60 0.579 2.302 9.538 1.00 0.00 C ATOM 1026 O LEU A 60 1.054 3.354 9.969 1.00 0.00 O ATOM 1027 CB LEU A 60 1.918 1.659 7.511 1.00 0.00 C ATOM 1028 CG LEU A 60 2.042 0.846 6.211 1.00 0.00 C ATOM 1029 CD1 LEU A 60 1.044 -0.307 6.107 1.00 0.00 C ATOM 1030 CD2 LEU A 60 1.923 1.716 4.959 1.00 0.00 C ATOM 0 H LEU A 60 0.677 3.987 7.310 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.169 1.212 7.850 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.479 2.583 7.375 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.417 1.096 8.299 1.00 0.00 H new ATOM 0 HG LEU A 60 3.045 0.422 6.262 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.193 -0.833 5.164 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.198 -0.998 6.936 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.028 0.086 6.147 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.018 1.091 4.071 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.952 2.212 4.952 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.714 2.466 4.961 1.00 0.00 H new ATOM 1042 N GLU A 61 0.164 1.326 10.346 1.00 0.00 N ATOM 1043 CA GLU A 61 0.116 1.427 11.811 1.00 0.00 C ATOM 1044 C GLU A 61 0.915 0.325 12.522 1.00 0.00 C ATOM 1045 O GLU A 61 0.936 -0.824 12.079 1.00 0.00 O ATOM 1046 CB GLU A 61 -1.320 1.323 12.326 1.00 0.00 C ATOM 1047 CG GLU A 61 -2.255 2.502 12.058 1.00 0.00 C ATOM 1048 CD GLU A 61 -3.513 2.280 12.913 1.00 0.00 C ATOM 1049 OE1 GLU A 61 -4.504 1.693 12.420 1.00 0.00 O ATOM 1050 OE2 GLU A 61 -3.496 2.554 14.134 1.00 0.00 O ATOM 0 H GLU A 61 -0.156 0.423 9.996 1.00 0.00 H new ATOM 0 HA GLU A 61 0.555 2.399 12.035 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.770 0.431 11.889 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.280 1.164 13.404 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.773 3.444 12.319 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.512 2.558 11.000 1.00 0.00 H new ATOM 1057 N ASP A 62 1.493 0.628 13.686 1.00 0.00 N ATOM 1058 CA ASP A 62 2.095 -0.376 14.561 1.00 0.00 C ATOM 1059 C ASP A 62 1.036 -1.288 15.210 1.00 0.00 C ATOM 1060 O ASP A 62 -0.059 -0.856 15.595 1.00 0.00 O ATOM 1061 CB ASP A 62 2.943 0.316 15.622 1.00 0.00 C ATOM 1062 CG ASP A 62 3.769 -0.696 16.417 1.00 0.00 C ATOM 1063 OD1 ASP A 62 3.276 -1.106 17.488 1.00 0.00 O ATOM 1064 OD2 ASP A 62 4.848 -1.118 15.944 1.00 0.00 O ATOM 0 H ASP A 62 1.556 1.580 14.048 1.00 0.00 H new ATOM 0 HA ASP A 62 2.731 -1.019 13.953 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.607 1.038 15.147 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.297 0.875 16.300 1.00 0.00 H new ATOM 1069 N LYS A 63 1.396 -2.562 15.371 1.00 0.00 N ATOM 1070 CA LYS A 63 0.540 -3.632 15.907 1.00 0.00 C ATOM 1071 C LYS A 63 0.434 -3.703 17.432 1.00 0.00 C ATOM 1072 O LYS A 63 -0.386 -4.466 17.942 1.00 0.00 O ATOM 1073 CB LYS A 63 0.939 -4.987 15.281 1.00 0.00 C ATOM 1074 CG LYS A 63 2.463 -5.193 15.240 1.00 0.00 C ATOM 1075 CD LYS A 63 2.855 -6.606 14.801 1.00 0.00 C ATOM 1076 CE LYS A 63 4.322 -6.591 14.356 1.00 0.00 C ATOM 1077 NZ LYS A 63 4.766 -7.918 13.862 1.00 0.00 N ATOM 0 H LYS A 63 2.328 -2.894 15.123 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.476 -3.373 15.608 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.482 -5.795 15.852 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.540 -5.047 14.268 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.905 -4.468 14.556 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.879 -4.995 16.228 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.716 -7.309 15.622 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.215 -6.939 13.984 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.455 -5.848 13.569 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.951 -6.286 15.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.376 -7.792 13.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.299 -8.406 14.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.935 -8.487 13.601 1.00 0.00 H new ATOM 1091 N VAL A 64 1.209 -2.895 18.155 1.00 0.00 N ATOM 1092 CA VAL A 64 1.226 -2.847 19.625 1.00 0.00 C ATOM 1093 C VAL A 64 0.912 -1.444 20.157 1.00 0.00 C ATOM 1094 O VAL A 64 0.161 -1.321 21.129 1.00 0.00 O ATOM 1095 CB VAL A 64 2.589 -3.350 20.144 1.00 0.00 C ATOM 1096 CG1 VAL A 64 2.698 -3.303 21.674 1.00 0.00 C ATOM 1097 CG2 VAL A 64 2.856 -4.801 19.712 1.00 0.00 C ATOM 0 H VAL A 64 1.861 -2.237 17.728 1.00 0.00 H new ATOM 0 HA VAL A 64 0.439 -3.503 19.998 1.00 0.00 H new ATOM 0 HB VAL A 64 3.324 -2.674 19.707 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.678 -3.669 21.980 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.570 -2.276 22.016 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.923 -3.931 22.113 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.825 -5.122 20.095 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.075 -5.449 20.110 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.858 -4.862 18.624 1.00 0.00 H new ATOM 1107 N SER A 65 1.426 -0.392 19.511 1.00 0.00 N ATOM 1108 CA SER A 65 1.334 0.997 19.997 1.00 0.00 C ATOM 1109 C SER A 65 0.521 1.928 19.086 1.00 0.00 C ATOM 1110 O SER A 65 0.205 3.051 19.483 1.00 0.00 O ATOM 1111 CB SER A 65 2.745 1.554 20.223 1.00 0.00 C ATOM 1112 OG SER A 65 3.372 0.883 21.307 1.00 0.00 O ATOM 0 H SER A 65 1.924 -0.478 18.625 1.00 0.00 H new ATOM 0 HA SER A 65 0.785 0.964 20.938 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.340 1.433 19.318 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.693 2.623 20.429 1.00 0.00 H new ATOM 0 HG SER A 65 4.272 1.246 21.440 1.00 0.00 H new ATOM 1118 N GLY A 66 0.164 1.483 17.874 1.00 0.00 N ATOM 1119 CA GLY A 66 -0.662 2.258 16.931 1.00 0.00 C ATOM 1120 C GLY A 66 0.065 3.442 16.279 1.00 0.00 C ATOM 1121 O GLY A 66 -0.566 4.378 15.789 1.00 0.00 O ATOM 0 H GLY A 66 0.441 0.569 17.515 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.020 1.591 16.147 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.540 2.632 17.458 1.00 0.00 H new ATOM 1125 N GLU A 67 1.398 3.414 16.293 1.00 0.00 N ATOM 1126 CA GLU A 67 2.273 4.441 15.727 1.00 0.00 C ATOM 1127 C GLU A 67 2.134 4.510 14.199 1.00 0.00 C ATOM 1128 O GLU A 67 2.094 3.472 13.536 1.00 0.00 O ATOM 1129 CB GLU A 67 3.737 4.131 16.077 1.00 0.00 C ATOM 1130 CG GLU A 67 3.972 3.906 17.572 1.00 0.00 C ATOM 1131 CD GLU A 67 5.475 3.933 17.912 1.00 0.00 C ATOM 1132 OE1 GLU A 67 6.001 5.019 18.263 1.00 0.00 O ATOM 1133 OE2 GLU A 67 6.139 2.872 17.842 1.00 0.00 O ATOM 0 H GLU A 67 1.918 2.645 16.716 1.00 0.00 H new ATOM 0 HA GLU A 67 1.978 5.400 16.152 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.053 3.243 15.530 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.366 4.955 15.738 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.454 4.676 18.144 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.547 2.947 17.869 1.00 0.00 H new ATOM 1140 N LEU A 68 2.117 5.716 13.625 1.00 0.00 N ATOM 1141 CA LEU A 68 2.150 5.912 12.172 1.00 0.00 C ATOM 1142 C LEU A 68 3.552 5.581 11.631 1.00 0.00 C ATOM 1143 O LEU A 68 4.514 6.302 11.909 1.00 0.00 O ATOM 1144 CB LEU A 68 1.711 7.356 11.848 1.00 0.00 C ATOM 1145 CG LEU A 68 1.732 7.722 10.350 1.00 0.00 C ATOM 1146 CD1 LEU A 68 0.766 6.873 9.523 1.00 0.00 C ATOM 1147 CD2 LEU A 68 1.335 9.186 10.168 1.00 0.00 C ATOM 0 H LEU A 68 2.080 6.586 14.156 1.00 0.00 H new ATOM 0 HA LEU A 68 1.453 5.235 11.677 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.701 7.507 12.230 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.361 8.047 12.385 1.00 0.00 H new ATOM 0 HG LEU A 68 2.748 7.536 10.001 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.822 7.173 8.477 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.037 5.821 9.614 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.251 7.019 9.888 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.352 9.438 9.108 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.331 9.342 10.562 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.039 9.823 10.704 1.00 0.00 H new ATOM 1159 N PHE A 69 3.673 4.503 10.849 1.00 0.00 N ATOM 1160 CA PHE A 69 4.938 4.106 10.214 1.00 0.00 C ATOM 1161 C PHE A 69 5.229 4.958 8.969 1.00 0.00 C ATOM 1162 O PHE A 69 6.267 5.617 8.880 1.00 0.00 O ATOM 1163 CB PHE A 69 4.904 2.605 9.883 1.00 0.00 C ATOM 1164 CG PHE A 69 6.023 2.141 8.961 1.00 0.00 C ATOM 1165 CD1 PHE A 69 5.754 1.821 7.613 1.00 0.00 C ATOM 1166 CD2 PHE A 69 7.345 2.069 9.439 1.00 0.00 C ATOM 1167 CE1 PHE A 69 6.802 1.445 6.754 1.00 0.00 C ATOM 1168 CE2 PHE A 69 8.388 1.671 8.583 1.00 0.00 C ATOM 1169 CZ PHE A 69 8.118 1.358 7.240 1.00 0.00 C ATOM 0 H PHE A 69 2.895 3.878 10.637 1.00 0.00 H new ATOM 0 HA PHE A 69 5.755 4.285 10.913 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.957 2.039 10.813 1.00 0.00 H new ATOM 0 HB3 PHE A 69 3.946 2.369 9.420 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.741 1.865 7.240 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.559 2.320 10.467 1.00 0.00 H new ATOM 0 HE1 PHE A 69 6.595 1.222 5.718 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.398 1.606 8.959 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.919 1.052 6.583 1.00 0.00 H new ATOM 1179 N ALA A 70 4.288 4.958 8.022 1.00 0.00 N ATOM 1180 CA ALA A 70 4.330 5.697 6.765 1.00 0.00 C ATOM 1181 C ALA A 70 2.902 5.885 6.223 1.00 0.00 C ATOM 1182 O ALA A 70 1.978 5.194 6.660 1.00 0.00 O ATOM 1183 CB ALA A 70 5.194 4.904 5.772 1.00 0.00 C ATOM 0 H ALA A 70 3.432 4.412 8.120 1.00 0.00 H new ATOM 0 HA ALA A 70 4.763 6.686 6.915 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.240 5.438 4.823 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.201 4.792 6.175 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.755 3.919 5.613 1.00 0.00 H new ATOM 1189 N GLN A 71 2.710 6.784 5.253 1.00 0.00 N ATOM 1190 CA GLN A 71 1.442 6.902 4.525 1.00 0.00 C ATOM 1191 C GLN A 71 1.632 7.309 3.060 1.00 0.00 C ATOM 1192 O GLN A 71 2.515 8.108 2.752 1.00 0.00 O ATOM 1193 CB GLN A 71 0.459 7.819 5.276 1.00 0.00 C ATOM 1194 CG GLN A 71 0.938 9.255 5.554 1.00 0.00 C ATOM 1195 CD GLN A 71 0.852 10.185 4.345 1.00 0.00 C ATOM 1196 OE1 GLN A 71 -0.031 10.087 3.505 1.00 0.00 O ATOM 1197 NE2 GLN A 71 1.752 11.136 4.229 1.00 0.00 N ATOM 0 H GLN A 71 3.424 7.447 4.951 1.00 0.00 H new ATOM 0 HA GLN A 71 0.996 5.908 4.489 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.465 7.873 4.701 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.215 7.350 6.229 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.343 9.675 6.365 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.971 9.222 5.901 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.492 11.225 4.925 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.710 11.785 3.443 1.00 0.00 H new ATOM 1206 N ALA A 72 0.811 6.755 2.164 1.00 0.00 N ATOM 1207 CA ALA A 72 0.851 6.990 0.718 1.00 0.00 C ATOM 1208 C ALA A 72 -0.438 7.673 0.212 1.00 0.00 C ATOM 1209 O ALA A 72 -1.470 7.001 0.115 1.00 0.00 O ATOM 1210 CB ALA A 72 1.113 5.646 0.022 1.00 0.00 C ATOM 0 H ALA A 72 0.072 6.106 2.436 1.00 0.00 H new ATOM 0 HA ALA A 72 1.658 7.682 0.478 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.147 5.796 -1.057 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.065 5.240 0.362 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.313 4.948 0.266 1.00 0.00 H new ATOM 1216 N PRO A 73 -0.399 8.981 -0.122 1.00 0.00 N ATOM 1217 CA PRO A 73 -1.491 9.691 -0.791 1.00 0.00 C ATOM 1218 C PRO A 73 -1.709 9.205 -2.231 1.00 0.00 C ATOM 1219 O PRO A 73 -0.744 8.948 -2.952 1.00 0.00 O ATOM 1220 CB PRO A 73 -1.106 11.178 -0.791 1.00 0.00 C ATOM 1221 CG PRO A 73 -0.035 11.286 0.290 1.00 0.00 C ATOM 1222 CD PRO A 73 0.654 9.925 0.214 1.00 0.00 C ATOM 0 HA PRO A 73 -2.427 9.508 -0.264 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.724 11.491 -1.763 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.964 11.812 -0.567 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.659 12.103 0.093 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.469 11.466 1.274 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.440 9.923 -0.542 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.124 9.668 1.163 1.00 0.00 H new ATOM 1230 N VAL A 74 -2.965 9.138 -2.675 1.00 0.00 N ATOM 1231 CA VAL A 74 -3.373 8.654 -4.006 1.00 0.00 C ATOM 1232 C VAL A 74 -4.487 9.546 -4.560 1.00 0.00 C ATOM 1233 O VAL A 74 -5.570 9.608 -3.982 1.00 0.00 O ATOM 1234 CB VAL A 74 -3.869 7.189 -3.945 1.00 0.00 C ATOM 1235 CG1 VAL A 74 -3.895 6.572 -5.348 1.00 0.00 C ATOM 1236 CG2 VAL A 74 -3.043 6.271 -3.040 1.00 0.00 C ATOM 0 H VAL A 74 -3.758 9.428 -2.102 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.503 8.694 -4.661 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.868 7.255 -3.514 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.246 5.542 -5.286 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.567 7.147 -5.986 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.891 6.588 -5.771 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.464 5.266 -3.060 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.013 6.240 -3.396 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.063 6.653 -2.019 1.00 0.00 H new ATOM 1246 N GLU A 75 -4.255 10.234 -5.681 1.00 0.00 N ATOM 1247 CA GLU A 75 -5.250 11.165 -6.261 1.00 0.00 C ATOM 1248 C GLU A 75 -6.329 10.448 -7.096 1.00 0.00 C ATOM 1249 O GLU A 75 -7.448 10.942 -7.233 1.00 0.00 O ATOM 1250 CB GLU A 75 -4.539 12.231 -7.109 1.00 0.00 C ATOM 1251 CG GLU A 75 -3.644 13.150 -6.267 1.00 0.00 C ATOM 1252 CD GLU A 75 -3.020 14.258 -7.138 1.00 0.00 C ATOM 1253 OE1 GLU A 75 -1.918 14.046 -7.702 1.00 0.00 O ATOM 1254 OE2 GLU A 75 -3.622 15.352 -7.263 1.00 0.00 O ATOM 0 H GLU A 75 -3.387 10.169 -6.213 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.766 11.640 -5.427 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.935 11.740 -7.872 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.284 12.832 -7.630 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.229 13.599 -5.465 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.855 12.564 -5.796 1.00 0.00 H new ATOM 1261 N GLN A 76 -5.998 9.274 -7.643 1.00 0.00 N ATOM 1262 CA GLN A 76 -6.914 8.325 -8.284 1.00 0.00 C ATOM 1263 C GLN A 76 -6.285 6.924 -8.315 1.00 0.00 C ATOM 1264 O GLN A 76 -5.070 6.801 -8.497 1.00 0.00 O ATOM 1265 CB GLN A 76 -7.319 8.793 -9.700 1.00 0.00 C ATOM 1266 CG GLN A 76 -6.262 8.705 -10.819 1.00 0.00 C ATOM 1267 CD GLN A 76 -5.022 9.572 -10.597 1.00 0.00 C ATOM 1268 OE1 GLN A 76 -4.955 10.728 -10.993 1.00 0.00 O ATOM 1269 NE2 GLN A 76 -3.992 9.048 -9.965 1.00 0.00 N ATOM 0 H GLN A 76 -5.033 8.943 -7.651 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.828 8.280 -7.693 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.184 8.208 -10.011 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.645 9.831 -9.629 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.948 7.666 -10.923 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.726 8.994 -11.762 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -4.035 8.086 -9.630 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -3.151 9.605 -9.811 1.00 0.00 H new ATOM 1278 N TYR A 77 -7.097 5.876 -8.176 1.00 0.00 N ATOM 1279 CA TYR A 77 -6.672 4.477 -8.269 1.00 0.00 C ATOM 1280 C TYR A 77 -7.399 3.764 -9.433 1.00 0.00 C ATOM 1281 O TYR A 77 -8.635 3.821 -9.480 1.00 0.00 O ATOM 1282 CB TYR A 77 -6.908 3.777 -6.926 1.00 0.00 C ATOM 1283 CG TYR A 77 -6.461 2.331 -6.928 1.00 0.00 C ATOM 1284 CD1 TYR A 77 -5.090 2.023 -6.990 1.00 0.00 C ATOM 1285 CD2 TYR A 77 -7.414 1.296 -6.932 1.00 0.00 C ATOM 1286 CE1 TYR A 77 -4.673 0.682 -7.089 1.00 0.00 C ATOM 1287 CE2 TYR A 77 -6.999 -0.047 -6.992 1.00 0.00 C ATOM 1288 CZ TYR A 77 -5.626 -0.359 -7.077 1.00 0.00 C ATOM 1289 OH TYR A 77 -5.230 -1.658 -7.164 1.00 0.00 O ATOM 0 H TYR A 77 -8.095 5.978 -7.991 1.00 0.00 H new ATOM 0 HA TYR A 77 -5.605 4.434 -8.487 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -6.375 4.316 -6.143 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.969 3.824 -6.679 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -4.357 2.816 -6.962 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.467 1.533 -6.889 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.622 0.449 -7.174 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.732 -0.840 -6.973 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.341 -1.757 -6.763 1.00 0.00 H new ATOM 1299 N PRO A 78 -6.687 3.088 -10.361 1.00 0.00 N ATOM 1300 CA PRO A 78 -5.227 2.971 -10.453 1.00 0.00 C ATOM 1301 C PRO A 78 -4.524 4.305 -10.776 1.00 0.00 C ATOM 1302 O PRO A 78 -5.062 5.161 -11.482 1.00 0.00 O ATOM 1303 CB PRO A 78 -4.968 1.916 -11.533 1.00 0.00 C ATOM 1304 CG PRO A 78 -6.183 2.048 -12.449 1.00 0.00 C ATOM 1305 CD PRO A 78 -7.308 2.367 -11.465 1.00 0.00 C ATOM 0 HA PRO A 78 -4.808 2.681 -9.489 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -4.038 2.107 -12.068 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -4.891 0.915 -11.108 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.051 2.841 -13.185 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -6.376 1.128 -13.002 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -8.081 2.972 -11.939 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.788 1.454 -11.113 1.00 0.00 H new ATOM 1313 N GLY A 79 -3.310 4.469 -10.245 1.00 0.00 N ATOM 1314 CA GLY A 79 -2.460 5.659 -10.399 1.00 0.00 C ATOM 1315 C GLY A 79 -0.978 5.378 -10.109 1.00 0.00 C ATOM 1316 O GLY A 79 -0.535 4.230 -10.168 1.00 0.00 O ATOM 0 H GLY A 79 -2.871 3.748 -9.672 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.560 6.041 -11.415 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.814 6.441 -9.728 1.00 0.00 H new ATOM 1320 N ILE A 80 -0.202 6.419 -9.781 1.00 0.00 N ATOM 1321 CA ILE A 80 1.248 6.296 -9.514 1.00 0.00 C ATOM 1322 C ILE A 80 1.558 5.694 -8.134 1.00 0.00 C ATOM 1323 O ILE A 80 2.464 4.873 -8.003 1.00 0.00 O ATOM 1324 CB ILE A 80 1.965 7.656 -9.724 1.00 0.00 C ATOM 1325 CG1 ILE A 80 3.490 7.492 -9.521 1.00 0.00 C ATOM 1326 CG2 ILE A 80 1.406 8.778 -8.822 1.00 0.00 C ATOM 1327 CD1 ILE A 80 4.330 8.728 -9.860 1.00 0.00 C ATOM 0 H ILE A 80 -0.555 7.372 -9.692 1.00 0.00 H new ATOM 0 HA ILE A 80 1.643 5.586 -10.241 1.00 0.00 H new ATOM 0 HB ILE A 80 1.770 7.965 -10.751 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.675 7.221 -8.482 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.834 6.659 -10.134 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.948 9.704 -9.015 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.348 8.925 -9.038 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.527 8.498 -7.776 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.384 8.511 -9.685 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.183 8.992 -10.907 1.00 0.00 H new ATOM 0 HD13 ILE A 80 4.021 9.562 -9.229 1.00 0.00 H new ATOM 1339 N ALA A 81 0.811 6.078 -7.097 1.00 0.00 N ATOM 1340 CA ALA A 81 1.158 5.818 -5.696 1.00 0.00 C ATOM 1341 C ALA A 81 0.729 4.438 -5.183 1.00 0.00 C ATOM 1342 O ALA A 81 0.863 4.170 -3.990 1.00 0.00 O ATOM 1343 CB ALA A 81 0.607 6.973 -4.856 1.00 0.00 C ATOM 0 H ALA A 81 -0.066 6.587 -7.207 1.00 0.00 H new ATOM 0 HA ALA A 81 2.244 5.778 -5.607 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.850 6.808 -3.806 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.054 7.910 -5.189 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.475 7.025 -4.974 1.00 0.00 H new ATOM 1349 N VAL A 82 0.242 3.569 -6.072 1.00 0.00 N ATOM 1350 CA VAL A 82 -0.185 2.190 -5.800 1.00 0.00 C ATOM 1351 C VAL A 82 -0.021 1.367 -7.081 1.00 0.00 C ATOM 1352 O VAL A 82 -0.546 1.738 -8.130 1.00 0.00 O ATOM 1353 CB VAL A 82 -1.656 2.109 -5.345 1.00 0.00 C ATOM 1354 CG1 VAL A 82 -2.015 0.680 -4.909 1.00 0.00 C ATOM 1355 CG2 VAL A 82 -2.045 3.039 -4.194 1.00 0.00 C ATOM 0 H VAL A 82 0.128 3.820 -7.054 1.00 0.00 H new ATOM 0 HA VAL A 82 0.434 1.802 -4.991 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.211 2.430 -6.227 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.057 0.647 -4.592 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.868 -0.003 -5.745 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.374 0.381 -4.080 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.099 2.901 -3.955 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.440 2.806 -3.318 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.873 4.074 -4.489 1.00 0.00 H new ATOM 1365 N GLU A 83 0.698 0.251 -7.006 1.00 0.00 N ATOM 1366 CA GLU A 83 1.063 -0.585 -8.157 1.00 0.00 C ATOM 1367 C GLU A 83 1.112 -2.080 -7.798 1.00 0.00 C ATOM 1368 O GLU A 83 1.350 -2.440 -6.649 1.00 0.00 O ATOM 1369 CB GLU A 83 2.420 -0.108 -8.719 1.00 0.00 C ATOM 1370 CG GLU A 83 2.300 0.249 -10.206 1.00 0.00 C ATOM 1371 CD GLU A 83 3.583 0.851 -10.815 1.00 0.00 C ATOM 1372 OE1 GLU A 83 3.543 1.210 -12.018 1.00 0.00 O ATOM 1373 OE2 GLU A 83 4.616 0.988 -10.116 1.00 0.00 O ATOM 0 H GLU A 83 1.055 -0.111 -6.122 1.00 0.00 H new ATOM 0 HA GLU A 83 0.291 -0.476 -8.919 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.765 0.761 -8.159 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.168 -0.890 -8.588 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.033 -0.649 -10.764 1.00 0.00 H new ATOM 0 HG3 GLU A 83 1.483 0.959 -10.333 1.00 0.00 H new ATOM 1380 N THR A 84 0.904 -2.959 -8.778 1.00 0.00 N ATOM 1381 CA THR A 84 0.918 -4.429 -8.630 1.00 0.00 C ATOM 1382 C THR A 84 2.210 -5.058 -9.160 1.00 0.00 C ATOM 1383 O THR A 84 2.878 -4.520 -10.048 1.00 0.00 O ATOM 1384 CB THR A 84 -0.285 -5.060 -9.354 1.00 0.00 C ATOM 1385 OG1 THR A 84 -0.471 -4.487 -10.636 1.00 0.00 O ATOM 1386 CG2 THR A 84 -1.574 -4.859 -8.561 1.00 0.00 C ATOM 0 H THR A 84 0.713 -2.664 -9.736 1.00 0.00 H new ATOM 0 HA THR A 84 0.857 -4.632 -7.561 1.00 0.00 H new ATOM 0 HB THR A 84 -0.067 -6.124 -9.449 1.00 0.00 H new ATOM 0 HG1 THR A 84 -1.240 -4.908 -11.074 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.406 -5.315 -9.097 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.475 -5.325 -7.581 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.763 -3.793 -8.438 1.00 0.00 H new ATOM 1394 N VAL A 85 2.550 -6.234 -8.628 1.00 0.00 N ATOM 1395 CA VAL A 85 3.566 -7.146 -9.183 1.00 0.00 C ATOM 1396 C VAL A 85 3.020 -7.903 -10.410 1.00 0.00 C ATOM 1397 O VAL A 85 1.831 -7.822 -10.733 1.00 0.00 O ATOM 1398 CB VAL A 85 4.034 -8.144 -8.111 1.00 0.00 C ATOM 1399 CG1 VAL A 85 4.625 -7.398 -6.916 1.00 0.00 C ATOM 1400 CG2 VAL A 85 2.904 -9.046 -7.626 1.00 0.00 C ATOM 0 H VAL A 85 2.118 -6.593 -7.777 1.00 0.00 H new ATOM 0 HA VAL A 85 4.417 -6.546 -9.503 1.00 0.00 H new ATOM 0 HB VAL A 85 4.793 -8.773 -8.576 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.952 -8.116 -6.164 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.477 -6.802 -7.244 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.868 -6.742 -6.486 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.285 -9.733 -6.870 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.111 -8.435 -7.195 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.507 -9.616 -8.466 1.00 0.00 H new ATOM 1410 N THR A 86 3.866 -8.692 -11.071 1.00 0.00 N ATOM 1411 CA THR A 86 3.521 -9.488 -12.263 1.00 0.00 C ATOM 1412 C THR A 86 3.069 -10.912 -11.926 1.00 0.00 C ATOM 1413 O THR A 86 2.266 -11.495 -12.656 1.00 0.00 O ATOM 1414 CB THR A 86 4.721 -9.568 -13.222 1.00 0.00 C ATOM 1415 OG1 THR A 86 5.783 -10.263 -12.612 1.00 0.00 O ATOM 1416 CG2 THR A 86 5.263 -8.194 -13.613 1.00 0.00 C ATOM 0 H THR A 86 4.840 -8.803 -10.789 1.00 0.00 H new ATOM 0 HA THR A 86 2.684 -8.974 -12.735 1.00 0.00 H new ATOM 0 HB THR A 86 4.355 -10.078 -14.113 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.541 -10.310 -13.231 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.108 -8.316 -14.290 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.479 -7.622 -14.110 1.00 0.00 H new ATOM 0 HG23 THR A 86 5.589 -7.663 -12.718 1.00 0.00 H new ATOM 1424 N ASP A 87 3.581 -11.483 -10.828 1.00 0.00 N ATOM 1425 CA ASP A 87 3.525 -12.926 -10.560 1.00 0.00 C ATOM 1426 C ASP A 87 2.429 -13.348 -9.568 1.00 0.00 C ATOM 1427 O ASP A 87 1.788 -14.382 -9.783 1.00 0.00 O ATOM 1428 CB ASP A 87 4.906 -13.389 -10.085 1.00 0.00 C ATOM 1429 CG ASP A 87 4.971 -14.917 -9.912 1.00 0.00 C ATOM 1430 OD1 ASP A 87 5.094 -15.635 -10.934 1.00 0.00 O ATOM 1431 OD2 ASP A 87 4.908 -15.403 -8.758 1.00 0.00 O ATOM 0 H ASP A 87 4.050 -10.952 -10.094 1.00 0.00 H new ATOM 0 HA ASP A 87 3.251 -13.416 -11.494 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.662 -13.073 -10.804 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.145 -12.906 -9.138 1.00 0.00 H new ATOM 1436 N SER A 88 2.190 -12.570 -8.501 1.00 0.00 N ATOM 1437 CA SER A 88 1.206 -12.942 -7.458 1.00 0.00 C ATOM 1438 C SER A 88 0.390 -11.766 -6.916 1.00 0.00 C ATOM 1439 O SER A 88 0.941 -10.789 -6.415 1.00 0.00 O ATOM 1440 CB SER A 88 1.902 -13.689 -6.316 1.00 0.00 C ATOM 1441 OG SER A 88 0.948 -14.067 -5.336 1.00 0.00 O ATOM 0 H SER A 88 2.660 -11.681 -8.333 1.00 0.00 H new ATOM 0 HA SER A 88 0.484 -13.598 -7.946 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.409 -14.573 -6.703 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.666 -13.055 -5.867 1.00 0.00 H new ATOM 0 HG SER A 88 1.398 -14.546 -4.609 1.00 0.00 H new ATOM 1447 N SER A 89 -0.943 -11.871 -6.953 1.00 0.00 N ATOM 1448 CA SER A 89 -1.875 -10.774 -6.625 1.00 0.00 C ATOM 1449 C SER A 89 -1.794 -10.270 -5.175 1.00 0.00 C ATOM 1450 O SER A 89 -2.358 -9.220 -4.869 1.00 0.00 O ATOM 1451 CB SER A 89 -3.328 -11.192 -6.897 1.00 0.00 C ATOM 1452 OG SER A 89 -3.435 -12.068 -8.011 1.00 0.00 O ATOM 0 H SER A 89 -1.418 -12.734 -7.216 1.00 0.00 H new ATOM 0 HA SER A 89 -1.563 -9.955 -7.273 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.735 -11.681 -6.012 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.932 -10.303 -7.077 1.00 0.00 H new ATOM 0 HG SER A 89 -4.229 -11.834 -8.536 1.00 0.00 H new ATOM 1458 N ARG A 90 -1.113 -10.997 -4.275 1.00 0.00 N ATOM 1459 CA ARG A 90 -1.003 -10.677 -2.840 1.00 0.00 C ATOM 1460 C ARG A 90 0.078 -9.642 -2.484 1.00 0.00 C ATOM 1461 O ARG A 90 0.368 -9.475 -1.301 1.00 0.00 O ATOM 1462 CB ARG A 90 -1.011 -11.965 -2.000 1.00 0.00 C ATOM 1463 CG ARG A 90 0.343 -12.659 -1.893 1.00 0.00 C ATOM 1464 CD ARG A 90 0.219 -14.054 -1.273 1.00 0.00 C ATOM 1465 NE ARG A 90 1.553 -14.629 -1.024 1.00 0.00 N ATOM 1466 CZ ARG A 90 1.852 -15.875 -0.714 1.00 0.00 C ATOM 1467 NH1 ARG A 90 3.099 -16.206 -0.549 1.00 0.00 N ATOM 1468 NH2 ARG A 90 0.945 -16.799 -0.564 1.00 0.00 N ATOM 0 H ARG A 90 -0.610 -11.847 -4.531 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.901 -10.127 -2.558 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.363 -11.727 -0.996 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.729 -12.662 -2.433 1.00 0.00 H new ATOM 0 HG2 ARG A 90 0.789 -12.740 -2.884 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.016 -12.051 -1.289 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -0.338 -13.995 -0.338 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -0.346 -14.706 -1.940 1.00 0.00 H new ATOM 0 HE ARG A 90 2.340 -13.985 -1.101 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.832 -15.505 -0.660 1.00 0.00 H new ATOM 0 HH12 ARG A 90 3.344 -17.167 -0.309 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -0.041 -16.570 -0.687 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.222 -17.751 -0.324 1.00 0.00 H new ATOM 1482 N TYR A 91 0.657 -8.943 -3.470 1.00 0.00 N ATOM 1483 CA TYR A 91 1.782 -8.017 -3.299 1.00 0.00 C ATOM 1484 C TYR A 91 1.589 -6.720 -4.103 1.00 0.00 C ATOM 1485 O TYR A 91 1.134 -6.753 -5.252 1.00 0.00 O ATOM 1486 CB TYR A 91 3.078 -8.716 -3.728 1.00 0.00 C ATOM 1487 CG TYR A 91 3.417 -9.979 -2.962 1.00 0.00 C ATOM 1488 CD1 TYR A 91 4.038 -9.887 -1.703 1.00 0.00 C ATOM 1489 CD2 TYR A 91 3.123 -11.244 -3.510 1.00 0.00 C ATOM 1490 CE1 TYR A 91 4.339 -11.054 -0.975 1.00 0.00 C ATOM 1491 CE2 TYR A 91 3.475 -12.414 -2.809 1.00 0.00 C ATOM 1492 CZ TYR A 91 4.066 -12.321 -1.532 1.00 0.00 C ATOM 1493 OH TYR A 91 4.331 -13.457 -0.828 1.00 0.00 O ATOM 0 H TYR A 91 0.344 -9.010 -4.439 1.00 0.00 H new ATOM 0 HA TYR A 91 1.836 -7.738 -2.247 1.00 0.00 H new ATOM 0 HB2 TYR A 91 3.005 -8.962 -4.787 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.904 -8.013 -3.620 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.285 -8.918 -1.294 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.628 -11.316 -4.467 1.00 0.00 H new ATOM 0 HE1 TYR A 91 4.778 -10.979 0.009 1.00 0.00 H new ATOM 0 HE2 TYR A 91 3.292 -13.383 -3.250 1.00 0.00 H new ATOM 0 HH TYR A 91 4.242 -13.276 0.131 1.00 0.00 H new ATOM 1503 N PHE A 92 1.976 -5.582 -3.519 1.00 0.00 N ATOM 1504 CA PHE A 92 1.843 -4.244 -4.103 1.00 0.00 C ATOM 1505 C PHE A 92 3.064 -3.372 -3.801 1.00 0.00 C ATOM 1506 O PHE A 92 3.764 -3.595 -2.819 1.00 0.00 O ATOM 1507 CB PHE A 92 0.597 -3.537 -3.546 1.00 0.00 C ATOM 1508 CG PHE A 92 -0.691 -4.314 -3.698 1.00 0.00 C ATOM 1509 CD1 PHE A 92 -1.397 -4.292 -4.915 1.00 0.00 C ATOM 1510 CD2 PHE A 92 -1.170 -5.078 -2.621 1.00 0.00 C ATOM 1511 CE1 PHE A 92 -2.576 -5.045 -5.053 1.00 0.00 C ATOM 1512 CE2 PHE A 92 -2.354 -5.818 -2.756 1.00 0.00 C ATOM 1513 CZ PHE A 92 -3.057 -5.807 -3.975 1.00 0.00 C ATOM 0 H PHE A 92 2.406 -5.567 -2.594 1.00 0.00 H new ATOM 0 HA PHE A 92 1.755 -4.376 -5.181 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.757 -3.328 -2.488 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.487 -2.576 -4.048 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.034 -3.698 -5.741 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.626 -5.096 -1.688 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.113 -5.038 -5.990 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.726 -6.397 -1.924 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.964 -6.383 -4.082 1.00 0.00 H new ATOM 1523 N VAL A 93 3.280 -2.331 -4.597 1.00 0.00 N ATOM 1524 CA VAL A 93 4.158 -1.201 -4.265 1.00 0.00 C ATOM 1525 C VAL A 93 3.290 0.023 -3.986 1.00 0.00 C ATOM 1526 O VAL A 93 2.318 0.240 -4.708 1.00 0.00 O ATOM 1527 CB VAL A 93 5.164 -0.930 -5.399 1.00 0.00 C ATOM 1528 CG1 VAL A 93 6.108 0.230 -5.070 1.00 0.00 C ATOM 1529 CG2 VAL A 93 6.025 -2.169 -5.664 1.00 0.00 C ATOM 0 H VAL A 93 2.842 -2.242 -5.514 1.00 0.00 H new ATOM 0 HA VAL A 93 4.743 -1.439 -3.376 1.00 0.00 H new ATOM 0 HB VAL A 93 4.571 -0.674 -6.277 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.799 0.383 -5.899 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.527 1.138 -4.909 1.00 0.00 H new ATOM 0 HG13 VAL A 93 6.671 -0.004 -4.167 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.729 -1.957 -6.469 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.575 -2.430 -4.760 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.384 -3.002 -5.953 1.00 0.00 H new ATOM 1539 N ILE A 94 3.625 0.845 -2.986 1.00 0.00 N ATOM 1540 CA ILE A 94 2.980 2.149 -2.775 1.00 0.00 C ATOM 1541 C ILE A 94 4.001 3.280 -2.602 1.00 0.00 C ATOM 1542 O ILE A 94 5.094 3.064 -2.072 1.00 0.00 O ATOM 1543 CB ILE A 94 1.919 2.150 -1.648 1.00 0.00 C ATOM 1544 CG1 ILE A 94 2.453 1.939 -0.212 1.00 0.00 C ATOM 1545 CG2 ILE A 94 0.754 1.191 -1.946 1.00 0.00 C ATOM 1546 CD1 ILE A 94 2.721 0.489 0.214 1.00 0.00 C ATOM 0 H ILE A 94 4.349 0.628 -2.301 1.00 0.00 H new ATOM 0 HA ILE A 94 2.428 2.345 -3.694 1.00 0.00 H new ATOM 0 HB ILE A 94 1.550 3.176 -1.657 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.380 2.502 -0.107 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.736 2.372 0.485 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.035 1.226 -1.127 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.264 1.491 -2.872 1.00 0.00 H new ATOM 0 HG23 ILE A 94 1.136 0.175 -2.050 1.00 0.00 H new ATOM 0 HD11 ILE A 94 3.092 0.473 1.239 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.796 -0.085 0.154 1.00 0.00 H new ATOM 0 HD13 ILE A 94 3.466 0.047 -0.448 1.00 0.00 H new ATOM 1558 N ARG A 95 3.643 4.496 -3.043 1.00 0.00 N ATOM 1559 CA ARG A 95 4.492 5.698 -2.915 1.00 0.00 C ATOM 1560 C ARG A 95 4.154 6.469 -1.639 1.00 0.00 C ATOM 1561 O ARG A 95 3.279 7.334 -1.644 1.00 0.00 O ATOM 1562 CB ARG A 95 4.413 6.582 -4.170 1.00 0.00 C ATOM 1563 CG ARG A 95 5.536 7.633 -4.184 1.00 0.00 C ATOM 1564 CD ARG A 95 5.341 8.633 -5.328 1.00 0.00 C ATOM 1565 NE ARG A 95 6.365 9.693 -5.293 1.00 0.00 N ATOM 1566 CZ ARG A 95 6.457 10.733 -6.101 1.00 0.00 C ATOM 1567 NH1 ARG A 95 7.415 11.592 -5.926 1.00 0.00 N ATOM 1568 NH2 ARG A 95 5.618 10.944 -7.074 1.00 0.00 N ATOM 0 H ARG A 95 2.750 4.677 -3.502 1.00 0.00 H new ATOM 0 HA ARG A 95 5.529 5.373 -2.831 1.00 0.00 H new ATOM 0 HB2 ARG A 95 4.484 5.959 -5.062 1.00 0.00 H new ATOM 0 HB3 ARG A 95 3.444 7.081 -4.206 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.554 8.164 -3.232 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.501 7.137 -4.291 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.388 8.110 -6.283 1.00 0.00 H new ATOM 0 HD3 ARG A 95 4.349 9.080 -5.258 1.00 0.00 H new ATOM 0 HE ARG A 95 7.078 9.615 -4.568 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.087 11.460 -5.170 1.00 0.00 H new ATOM 0 HH12 ARG A 95 7.496 12.399 -6.544 1.00 0.00 H new ATOM 0 HH21 ARG A 95 4.851 10.292 -7.236 1.00 0.00 H new ATOM 0 HH22 ARG A 95 5.728 11.762 -7.674 1.00 0.00 H new ATOM 1582 N ILE A 96 4.852 6.161 -0.551 1.00 0.00 N ATOM 1583 CA ILE A 96 4.694 6.861 0.734 1.00 0.00 C ATOM 1584 C ILE A 96 5.349 8.249 0.714 1.00 0.00 C ATOM 1585 O ILE A 96 6.292 8.494 -0.041 1.00 0.00 O ATOM 1586 CB ILE A 96 5.111 6.000 1.949 1.00 0.00 C ATOM 1587 CG1 ILE A 96 6.618 5.661 2.028 1.00 0.00 C ATOM 1588 CG2 ILE A 96 4.285 4.707 2.016 1.00 0.00 C ATOM 1589 CD1 ILE A 96 7.433 6.661 2.855 1.00 0.00 C ATOM 0 H ILE A 96 5.549 5.416 -0.528 1.00 0.00 H new ATOM 0 HA ILE A 96 3.626 7.031 0.867 1.00 0.00 H new ATOM 0 HB ILE A 96 4.902 6.631 2.813 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.735 4.666 2.458 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.026 5.621 1.018 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.598 4.120 2.879 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.228 4.955 2.110 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.442 4.127 1.106 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.480 6.357 2.865 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.347 7.654 2.413 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.052 6.684 3.876 1.00 0.00 H new ATOM 1601 N GLN A 97 4.837 9.180 1.520 1.00 0.00 N ATOM 1602 CA GLN A 97 5.424 10.500 1.782 1.00 0.00 C ATOM 1603 C GLN A 97 5.821 10.617 3.261 1.00 0.00 C ATOM 1604 O GLN A 97 5.108 10.152 4.150 1.00 0.00 O ATOM 1605 CB GLN A 97 4.461 11.636 1.376 1.00 0.00 C ATOM 1606 CG GLN A 97 4.646 12.155 -0.062 1.00 0.00 C ATOM 1607 CD GLN A 97 3.894 11.363 -1.133 1.00 0.00 C ATOM 1608 OE1 GLN A 97 2.881 11.798 -1.660 1.00 0.00 O ATOM 1609 NE2 GLN A 97 4.347 10.189 -1.513 1.00 0.00 N ATOM 0 H GLN A 97 3.966 9.031 2.030 1.00 0.00 H new ATOM 0 HA GLN A 97 6.321 10.602 1.171 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.436 11.283 1.491 1.00 0.00 H new ATOM 0 HB3 GLN A 97 4.591 12.468 2.068 1.00 0.00 H new ATOM 0 HG2 GLN A 97 4.320 13.194 -0.103 1.00 0.00 H new ATOM 0 HG3 GLN A 97 5.709 12.145 -0.303 1.00 0.00 H new ATOM 0 HE21 GLN A 97 5.191 9.806 -1.087 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.855 9.661 -2.234 1.00 0.00 H new ATOM 1618 N ASP A 98 6.956 11.269 3.529 1.00 0.00 N ATOM 1619 CA ASP A 98 7.598 11.305 4.855 1.00 0.00 C ATOM 1620 C ASP A 98 7.240 12.560 5.685 1.00 0.00 C ATOM 1621 O ASP A 98 8.041 13.068 6.471 1.00 0.00 O ATOM 1622 CB ASP A 98 9.109 11.088 4.665 1.00 0.00 C ATOM 1623 CG ASP A 98 9.869 10.778 5.967 1.00 0.00 C ATOM 1624 OD1 ASP A 98 11.046 11.204 6.063 1.00 0.00 O ATOM 1625 OD2 ASP A 98 9.341 10.056 6.845 1.00 0.00 O ATOM 0 H ASP A 98 7.467 11.797 2.821 1.00 0.00 H new ATOM 0 HA ASP A 98 7.202 10.494 5.466 1.00 0.00 H new ATOM 0 HB2 ASP A 98 9.262 10.268 3.964 1.00 0.00 H new ATOM 0 HB3 ASP A 98 9.539 11.980 4.210 1.00 0.00 H new ATOM 1630 N GLY A 99 6.035 13.101 5.477 1.00 0.00 N ATOM 1631 CA GLY A 99 5.469 14.206 6.267 1.00 0.00 C ATOM 1632 C GLY A 99 6.082 15.596 6.024 1.00 0.00 C ATOM 1633 O GLY A 99 5.781 16.530 6.770 1.00 0.00 O ATOM 0 H GLY A 99 5.410 12.777 4.739 1.00 0.00 H new ATOM 0 HA2 GLY A 99 4.400 14.262 6.062 1.00 0.00 H new ATOM 0 HA3 GLY A 99 5.578 13.963 7.324 1.00 0.00 H new ATOM 1637 N THR A 100 6.941 15.744 5.008 1.00 0.00 N ATOM 1638 CA THR A 100 7.691 16.987 4.717 1.00 0.00 C ATOM 1639 C THR A 100 7.685 17.399 3.233 1.00 0.00 C ATOM 1640 O THR A 100 7.782 18.589 2.924 1.00 0.00 O ATOM 1641 CB THR A 100 9.122 16.862 5.281 1.00 0.00 C ATOM 1642 OG1 THR A 100 9.785 18.106 5.250 1.00 0.00 O ATOM 1643 CG2 THR A 100 9.999 15.845 4.543 1.00 0.00 C ATOM 0 H THR A 100 7.143 14.993 4.348 1.00 0.00 H new ATOM 0 HA THR A 100 7.170 17.803 5.219 1.00 0.00 H new ATOM 0 HB THR A 100 8.986 16.510 6.303 1.00 0.00 H new ATOM 0 HG1 THR A 100 10.689 18.004 5.613 1.00 0.00 H new ATOM 0 HG21 THR A 100 10.988 15.818 5.001 1.00 0.00 H new ATOM 0 HG22 THR A 100 9.542 14.857 4.606 1.00 0.00 H new ATOM 0 HG23 THR A 100 10.091 16.136 3.497 1.00 0.00 H new ATOM 1651 N GLY A 101 7.517 16.444 2.304 1.00 0.00 N ATOM 1652 CA GLY A 101 7.443 16.687 0.853 1.00 0.00 C ATOM 1653 C GLY A 101 8.261 15.705 0.005 1.00 0.00 C ATOM 1654 O GLY A 101 8.074 15.645 -1.214 1.00 0.00 O ATOM 0 H GLY A 101 7.427 15.457 2.546 1.00 0.00 H new ATOM 0 HA2 GLY A 101 6.400 16.637 0.541 1.00 0.00 H new ATOM 0 HA3 GLY A 101 7.788 17.700 0.648 1.00 0.00 H new ATOM 1658 N ARG A 102 9.135 14.905 0.636 1.00 0.00 N ATOM 1659 CA ARG A 102 9.902 13.817 0.024 1.00 0.00 C ATOM 1660 C ARG A 102 9.194 12.476 0.203 1.00 0.00 C ATOM 1661 O ARG A 102 8.358 12.300 1.093 1.00 0.00 O ATOM 1662 CB ARG A 102 11.367 13.869 0.503 1.00 0.00 C ATOM 1663 CG ARG A 102 11.652 13.479 1.965 1.00 0.00 C ATOM 1664 CD ARG A 102 11.827 11.970 2.184 1.00 0.00 C ATOM 1665 NE ARG A 102 12.301 11.687 3.552 1.00 0.00 N ATOM 1666 CZ ARG A 102 13.538 11.564 3.991 1.00 0.00 C ATOM 1667 NH1 ARG A 102 13.717 11.318 5.253 1.00 0.00 N ATOM 1668 NH2 ARG A 102 14.586 11.680 3.223 1.00 0.00 N ATOM 0 H ARG A 102 9.333 15.006 1.632 1.00 0.00 H new ATOM 0 HA ARG A 102 9.950 13.947 -1.057 1.00 0.00 H new ATOM 0 HB2 ARG A 102 11.954 13.214 -0.140 1.00 0.00 H new ATOM 0 HB3 ARG A 102 11.736 14.883 0.347 1.00 0.00 H new ATOM 0 HG2 ARG A 102 12.555 13.991 2.298 1.00 0.00 H new ATOM 0 HG3 ARG A 102 10.834 13.835 2.592 1.00 0.00 H new ATOM 0 HD2 ARG A 102 10.879 11.461 2.011 1.00 0.00 H new ATOM 0 HD3 ARG A 102 12.538 11.574 1.459 1.00 0.00 H new ATOM 0 HE ARG A 102 11.571 11.570 4.255 1.00 0.00 H new ATOM 0 HH11 ARG A 102 12.913 11.225 5.874 1.00 0.00 H new ATOM 0 HH12 ARG A 102 14.662 11.217 5.624 1.00 0.00 H new ATOM 0 HH21 ARG A 102 14.470 11.876 2.229 1.00 0.00 H new ATOM 0 HH22 ARG A 102 15.521 11.575 3.617 1.00 0.00 H new ATOM 1682 N SER A 103 9.526 11.545 -0.679 1.00 0.00 N ATOM 1683 CA SER A 103 8.775 10.303 -0.913 1.00 0.00 C ATOM 1684 C SER A 103 9.657 9.081 -1.193 1.00 0.00 C ATOM 1685 O SER A 103 10.835 9.212 -1.540 1.00 0.00 O ATOM 1686 CB SER A 103 7.778 10.520 -2.061 1.00 0.00 C ATOM 1687 OG SER A 103 8.433 10.751 -3.300 1.00 0.00 O ATOM 0 H SER A 103 10.350 11.628 -1.274 1.00 0.00 H new ATOM 0 HA SER A 103 8.249 10.076 0.014 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.132 9.646 -2.150 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.135 11.369 -1.827 1.00 0.00 H new ATOM 0 HG SER A 103 8.864 11.631 -3.283 1.00 0.00 H new ATOM 1693 N ALA A 104 9.074 7.887 -1.050 1.00 0.00 N ATOM 1694 CA ALA A 104 9.700 6.605 -1.377 1.00 0.00 C ATOM 1695 C ALA A 104 8.670 5.597 -1.913 1.00 0.00 C ATOM 1696 O ALA A 104 7.523 5.575 -1.467 1.00 0.00 O ATOM 1697 CB ALA A 104 10.403 6.059 -0.127 1.00 0.00 C ATOM 0 H ALA A 104 8.124 7.784 -0.692 1.00 0.00 H new ATOM 0 HA ALA A 104 10.434 6.760 -2.168 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.872 5.104 -0.362 1.00 0.00 H new ATOM 0 HB2 ALA A 104 11.165 6.767 0.200 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.672 5.918 0.669 1.00 0.00 H new ATOM 1703 N PHE A 105 9.088 4.729 -2.834 1.00 0.00 N ATOM 1704 CA PHE A 105 8.314 3.557 -3.253 1.00 0.00 C ATOM 1705 C PHE A 105 8.688 2.355 -2.371 1.00 0.00 C ATOM 1706 O PHE A 105 9.840 1.915 -2.372 1.00 0.00 O ATOM 1707 CB PHE A 105 8.542 3.277 -4.745 1.00 0.00 C ATOM 1708 CG PHE A 105 7.818 4.225 -5.689 1.00 0.00 C ATOM 1709 CD1 PHE A 105 8.460 5.374 -6.189 1.00 0.00 C ATOM 1710 CD2 PHE A 105 6.502 3.936 -6.099 1.00 0.00 C ATOM 1711 CE1 PHE A 105 7.796 6.211 -7.106 1.00 0.00 C ATOM 1712 CE2 PHE A 105 5.841 4.762 -7.022 1.00 0.00 C ATOM 1713 CZ PHE A 105 6.492 5.899 -7.531 1.00 0.00 C ATOM 0 H PHE A 105 9.982 4.819 -3.316 1.00 0.00 H new ATOM 0 HA PHE A 105 7.249 3.748 -3.123 1.00 0.00 H new ATOM 0 HB2 PHE A 105 9.611 3.328 -4.951 1.00 0.00 H new ATOM 0 HB3 PHE A 105 8.224 2.257 -4.962 1.00 0.00 H new ATOM 0 HD1 PHE A 105 9.463 5.614 -5.869 1.00 0.00 H new ATOM 0 HD2 PHE A 105 5.996 3.070 -5.699 1.00 0.00 H new ATOM 0 HE1 PHE A 105 8.289 7.094 -7.484 1.00 0.00 H new ATOM 0 HE2 PHE A 105 4.836 4.525 -7.340 1.00 0.00 H new ATOM 0 HZ PHE A 105 5.991 6.533 -8.248 1.00 0.00 H new ATOM 1723 N ILE A 106 7.720 1.831 -1.614 1.00 0.00 N ATOM 1724 CA ILE A 106 7.890 0.680 -0.708 1.00 0.00 C ATOM 1725 C ILE A 106 7.020 -0.496 -1.154 1.00 0.00 C ATOM 1726 O ILE A 106 5.910 -0.294 -1.645 1.00 0.00 O ATOM 1727 CB ILE A 106 7.657 1.058 0.777 1.00 0.00 C ATOM 1728 CG1 ILE A 106 6.179 1.357 1.120 1.00 0.00 C ATOM 1729 CG2 ILE A 106 8.565 2.242 1.155 1.00 0.00 C ATOM 1730 CD1 ILE A 106 5.905 1.559 2.618 1.00 0.00 C ATOM 0 H ILE A 106 6.770 2.202 -1.611 1.00 0.00 H new ATOM 0 HA ILE A 106 8.930 0.362 -0.773 1.00 0.00 H new ATOM 0 HB ILE A 106 7.919 0.184 1.374 1.00 0.00 H new ATOM 0 HG12 ILE A 106 5.867 2.252 0.582 1.00 0.00 H new ATOM 0 HG13 ILE A 106 5.561 0.536 0.757 1.00 0.00 H new ATOM 0 HG21 ILE A 106 8.401 2.508 2.199 1.00 0.00 H new ATOM 0 HG22 ILE A 106 9.608 1.961 1.012 1.00 0.00 H new ATOM 0 HG23 ILE A 106 8.330 3.098 0.522 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.845 1.764 2.770 1.00 0.00 H new ATOM 0 HD12 ILE A 106 6.182 0.657 3.163 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.493 2.400 2.985 1.00 0.00 H new ATOM 1742 N GLY A 107 7.510 -1.725 -0.983 1.00 0.00 N ATOM 1743 CA GLY A 107 6.765 -2.944 -1.299 1.00 0.00 C ATOM 1744 C GLY A 107 6.012 -3.451 -0.071 1.00 0.00 C ATOM 1745 O GLY A 107 6.561 -3.434 1.031 1.00 0.00 O ATOM 0 H GLY A 107 8.445 -1.903 -0.617 1.00 0.00 H new ATOM 0 HA2 GLY A 107 6.061 -2.746 -2.107 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.451 -3.713 -1.654 1.00 0.00 H new ATOM 1749 N ILE A 108 4.775 -3.913 -0.256 1.00 0.00 N ATOM 1750 CA ILE A 108 3.969 -4.601 0.759 1.00 0.00 C ATOM 1751 C ILE A 108 3.364 -5.898 0.231 1.00 0.00 C ATOM 1752 O ILE A 108 3.216 -6.090 -0.976 1.00 0.00 O ATOM 1753 CB ILE A 108 2.866 -3.712 1.389 1.00 0.00 C ATOM 1754 CG1 ILE A 108 1.741 -3.304 0.409 1.00 0.00 C ATOM 1755 CG2 ILE A 108 3.501 -2.504 2.086 1.00 0.00 C ATOM 1756 CD1 ILE A 108 0.505 -2.712 1.111 1.00 0.00 C ATOM 0 H ILE A 108 4.288 -3.816 -1.147 1.00 0.00 H new ATOM 0 HA ILE A 108 4.673 -4.843 1.555 1.00 0.00 H new ATOM 0 HB ILE A 108 2.358 -4.323 2.135 1.00 0.00 H new ATOM 0 HG12 ILE A 108 2.133 -2.573 -0.299 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.438 -4.177 -0.169 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.719 -1.885 2.526 1.00 0.00 H new ATOM 0 HG22 ILE A 108 4.175 -2.849 2.870 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.062 -1.917 1.358 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -0.245 -2.447 0.366 1.00 0.00 H new ATOM 0 HD12 ILE A 108 0.089 -3.449 1.798 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.795 -1.820 1.667 1.00 0.00 H new ATOM 1768 N GLY A 109 2.963 -6.783 1.140 1.00 0.00 N ATOM 1769 CA GLY A 109 2.131 -7.931 0.797 1.00 0.00 C ATOM 1770 C GLY A 109 1.295 -8.481 1.947 1.00 0.00 C ATOM 1771 O GLY A 109 1.398 -8.041 3.097 1.00 0.00 O ATOM 0 H GLY A 109 3.204 -6.725 2.129 1.00 0.00 H new ATOM 0 HA2 GLY A 109 1.463 -7.648 -0.016 1.00 0.00 H new ATOM 0 HA3 GLY A 109 2.773 -8.727 0.420 1.00 0.00 H new ATOM 1775 N PHE A 110 0.459 -9.450 1.586 1.00 0.00 N ATOM 1776 CA PHE A 110 -0.562 -10.078 2.420 1.00 0.00 C ATOM 1777 C PHE A 110 -0.363 -11.596 2.466 1.00 0.00 C ATOM 1778 O PHE A 110 0.056 -12.208 1.482 1.00 0.00 O ATOM 1779 CB PHE A 110 -1.948 -9.746 1.846 1.00 0.00 C ATOM 1780 CG PHE A 110 -2.312 -8.275 1.892 1.00 0.00 C ATOM 1781 CD1 PHE A 110 -3.090 -7.791 2.958 1.00 0.00 C ATOM 1782 CD2 PHE A 110 -1.863 -7.387 0.893 1.00 0.00 C ATOM 1783 CE1 PHE A 110 -3.420 -6.427 3.022 1.00 0.00 C ATOM 1784 CE2 PHE A 110 -2.207 -6.027 0.955 1.00 0.00 C ATOM 1785 CZ PHE A 110 -2.999 -5.550 2.008 1.00 0.00 C ATOM 0 H PHE A 110 0.477 -9.842 0.645 1.00 0.00 H new ATOM 0 HA PHE A 110 -0.481 -9.694 3.437 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -1.989 -10.085 0.811 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -2.700 -10.311 2.397 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -3.434 -8.467 3.727 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -1.254 -7.753 0.080 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -3.999 -6.051 3.853 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -1.861 -5.348 0.190 1.00 0.00 H new ATOM 0 HZ PHE A 110 -3.286 -4.509 2.040 1.00 0.00 H new ATOM 1795 N THR A 111 -0.735 -12.231 3.577 1.00 0.00 N ATOM 1796 CA THR A 111 -0.636 -13.692 3.752 1.00 0.00 C ATOM 1797 C THR A 111 -1.701 -14.492 2.985 1.00 0.00 C ATOM 1798 O THR A 111 -1.613 -15.718 2.903 1.00 0.00 O ATOM 1799 CB THR A 111 -0.678 -14.023 5.254 1.00 0.00 C ATOM 1800 OG1 THR A 111 -0.089 -15.281 5.515 1.00 0.00 O ATOM 1801 CG2 THR A 111 -2.076 -14.010 5.882 1.00 0.00 C ATOM 0 H THR A 111 -1.117 -11.749 4.391 1.00 0.00 H new ATOM 0 HA THR A 111 0.315 -14.000 3.319 1.00 0.00 H new ATOM 0 HB THR A 111 -0.111 -13.215 5.717 1.00 0.00 H new ATOM 0 HG1 THR A 111 -0.347 -15.915 4.813 1.00 0.00 H new ATOM 0 HG21 THR A 111 -2.001 -14.255 6.941 1.00 0.00 H new ATOM 0 HG22 THR A 111 -2.517 -13.019 5.769 1.00 0.00 H new ATOM 0 HG23 THR A 111 -2.706 -14.746 5.383 1.00 0.00 H new ATOM 1809 N ASP A 112 -2.732 -13.820 2.455 1.00 0.00 N ATOM 1810 CA ASP A 112 -4.035 -14.454 2.181 1.00 0.00 C ATOM 1811 C ASP A 112 -4.478 -14.449 0.708 1.00 0.00 C ATOM 1812 O ASP A 112 -5.282 -15.293 0.310 1.00 0.00 O ATOM 1813 CB ASP A 112 -5.083 -13.775 3.071 1.00 0.00 C ATOM 1814 CG ASP A 112 -6.440 -14.500 3.037 1.00 0.00 C ATOM 1815 OD1 ASP A 112 -7.363 -14.018 2.340 1.00 0.00 O ATOM 1816 OD2 ASP A 112 -6.578 -15.555 3.703 1.00 0.00 O ATOM 0 H ASP A 112 -2.691 -12.832 2.205 1.00 0.00 H new ATOM 0 HA ASP A 112 -3.929 -15.514 2.413 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -4.718 -13.742 4.097 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.217 -12.743 2.747 1.00 0.00 H new ATOM 1821 N ARG A 113 -3.970 -13.504 -0.096 1.00 0.00 N ATOM 1822 CA ARG A 113 -4.446 -13.129 -1.449 1.00 0.00 C ATOM 1823 C ARG A 113 -5.892 -12.607 -1.509 1.00 0.00 C ATOM 1824 O ARG A 113 -6.122 -11.590 -2.154 1.00 0.00 O ATOM 1825 CB ARG A 113 -4.166 -14.275 -2.443 1.00 0.00 C ATOM 1826 CG ARG A 113 -4.276 -13.818 -3.904 1.00 0.00 C ATOM 1827 CD ARG A 113 -3.944 -14.979 -4.853 1.00 0.00 C ATOM 1828 NE ARG A 113 -3.987 -14.569 -6.272 1.00 0.00 N ATOM 1829 CZ ARG A 113 -4.128 -15.356 -7.323 1.00 0.00 C ATOM 1830 NH1 ARG A 113 -4.119 -14.834 -8.513 1.00 0.00 N ATOM 1831 NH2 ARG A 113 -4.272 -16.648 -7.225 1.00 0.00 N ATOM 0 H ARG A 113 -3.168 -12.944 0.192 1.00 0.00 H new ATOM 0 HA ARG A 113 -3.866 -12.258 -1.753 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -3.167 -14.673 -2.263 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -4.870 -15.088 -2.265 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -5.284 -13.454 -4.103 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -3.595 -12.986 -4.084 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -2.952 -15.366 -4.618 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -4.651 -15.793 -4.690 1.00 0.00 H new ATOM 0 HE ARG A 113 -3.898 -13.570 -6.460 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -4.004 -13.827 -8.627 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -4.227 -15.431 -9.333 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -4.279 -17.092 -6.307 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -4.378 -17.215 -8.067 1.00 0.00 H new ATOM 1845 N GLY A 114 -6.837 -13.200 -0.784 1.00 0.00 N ATOM 1846 CA GLY A 114 -8.200 -12.678 -0.616 1.00 0.00 C ATOM 1847 C GLY A 114 -8.257 -11.329 0.119 1.00 0.00 C ATOM 1848 O GLY A 114 -9.136 -10.515 -0.161 1.00 0.00 O ATOM 0 H GLY A 114 -6.678 -14.075 -0.285 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -8.661 -12.567 -1.597 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -8.794 -13.407 -0.065 1.00 0.00 H new ATOM 1852 N ASP A 115 -7.282 -11.044 0.992 1.00 0.00 N ATOM 1853 CA ASP A 115 -7.134 -9.738 1.657 1.00 0.00 C ATOM 1854 C ASP A 115 -6.471 -8.698 0.745 1.00 0.00 C ATOM 1855 O ASP A 115 -6.872 -7.532 0.748 1.00 0.00 O ATOM 1856 CB ASP A 115 -6.367 -9.878 2.981 1.00 0.00 C ATOM 1857 CG ASP A 115 -7.251 -10.421 4.116 1.00 0.00 C ATOM 1858 OD1 ASP A 115 -6.837 -11.381 4.807 1.00 0.00 O ATOM 1859 OD2 ASP A 115 -8.340 -9.842 4.353 1.00 0.00 O ATOM 0 H ASP A 115 -6.566 -11.719 1.261 1.00 0.00 H new ATOM 0 HA ASP A 115 -8.138 -9.376 1.880 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.516 -10.544 2.836 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -5.966 -8.907 3.270 1.00 0.00 H new ATOM 1864 N ALA A 116 -5.529 -9.112 -0.109 1.00 0.00 N ATOM 1865 CA ALA A 116 -5.039 -8.247 -1.183 1.00 0.00 C ATOM 1866 C ALA A 116 -6.135 -7.898 -2.211 1.00 0.00 C ATOM 1867 O ALA A 116 -6.233 -6.752 -2.650 1.00 0.00 O ATOM 1868 CB ALA A 116 -3.869 -8.956 -1.841 1.00 0.00 C ATOM 0 H ALA A 116 -5.094 -10.034 -0.077 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.724 -7.292 -0.763 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.477 -8.338 -2.649 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -3.086 -9.128 -1.103 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -4.203 -9.912 -2.244 1.00 0.00 H new ATOM 1874 N PHE A 117 -7.022 -8.855 -2.508 1.00 0.00 N ATOM 1875 CA PHE A 117 -8.270 -8.646 -3.257 1.00 0.00 C ATOM 1876 C PHE A 117 -9.358 -7.850 -2.493 1.00 0.00 C ATOM 1877 O PHE A 117 -10.495 -7.742 -2.956 1.00 0.00 O ATOM 1878 CB PHE A 117 -8.781 -9.983 -3.824 1.00 0.00 C ATOM 1879 CG PHE A 117 -8.235 -10.289 -5.205 1.00 0.00 C ATOM 1880 CD1 PHE A 117 -8.649 -9.507 -6.302 1.00 0.00 C ATOM 1881 CD2 PHE A 117 -7.327 -11.345 -5.405 1.00 0.00 C ATOM 1882 CE1 PHE A 117 -8.145 -9.770 -7.587 1.00 0.00 C ATOM 1883 CE2 PHE A 117 -6.830 -11.614 -6.693 1.00 0.00 C ATOM 1884 CZ PHE A 117 -7.233 -10.823 -7.783 1.00 0.00 C ATOM 0 H PHE A 117 -6.888 -9.826 -2.226 1.00 0.00 H new ATOM 0 HA PHE A 117 -8.026 -7.991 -4.093 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -8.505 -10.789 -3.144 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -9.870 -9.961 -3.867 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -9.355 -8.704 -6.155 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -7.011 -11.950 -4.568 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -8.458 -9.164 -8.424 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -6.138 -12.429 -6.845 1.00 0.00 H new ATOM 0 HZ PHE A 117 -6.843 -11.024 -8.770 1.00 0.00 H new ATOM 1894 N ASP A 118 -9.019 -7.259 -1.342 1.00 0.00 N ATOM 1895 CA ASP A 118 -9.858 -6.314 -0.597 1.00 0.00 C ATOM 1896 C ASP A 118 -9.155 -4.955 -0.384 1.00 0.00 C ATOM 1897 O ASP A 118 -9.802 -3.911 -0.467 1.00 0.00 O ATOM 1898 CB ASP A 118 -10.286 -6.990 0.714 1.00 0.00 C ATOM 1899 CG ASP A 118 -11.394 -6.249 1.474 1.00 0.00 C ATOM 1900 OD1 ASP A 118 -11.332 -6.251 2.726 1.00 0.00 O ATOM 1901 OD2 ASP A 118 -12.351 -5.738 0.845 1.00 0.00 O ATOM 0 H ASP A 118 -8.122 -7.431 -0.888 1.00 0.00 H new ATOM 0 HA ASP A 118 -10.750 -6.070 -1.174 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -10.627 -8.001 0.493 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -9.415 -7.082 1.363 1.00 0.00 H new ATOM 1906 N PHE A 119 -7.822 -4.937 -0.239 1.00 0.00 N ATOM 1907 CA PHE A 119 -6.969 -3.739 -0.359 1.00 0.00 C ATOM 1908 C PHE A 119 -7.257 -2.953 -1.654 1.00 0.00 C ATOM 1909 O PHE A 119 -7.484 -1.744 -1.629 1.00 0.00 O ATOM 1910 CB PHE A 119 -5.497 -4.193 -0.306 1.00 0.00 C ATOM 1911 CG PHE A 119 -4.475 -3.143 -0.712 1.00 0.00 C ATOM 1912 CD1 PHE A 119 -4.101 -3.003 -2.064 1.00 0.00 C ATOM 1913 CD2 PHE A 119 -3.899 -2.298 0.253 1.00 0.00 C ATOM 1914 CE1 PHE A 119 -3.189 -2.007 -2.451 1.00 0.00 C ATOM 1915 CE2 PHE A 119 -3.006 -1.287 -0.135 1.00 0.00 C ATOM 1916 CZ PHE A 119 -2.647 -1.139 -1.487 1.00 0.00 C ATOM 0 H PHE A 119 -7.288 -5.780 -0.028 1.00 0.00 H new ATOM 0 HA PHE A 119 -7.185 -3.060 0.465 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.272 -4.521 0.709 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -5.379 -5.061 -0.955 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -4.518 -3.666 -2.807 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -4.145 -2.427 1.297 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -2.904 -1.908 -3.488 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -2.593 -0.620 0.607 1.00 0.00 H new ATOM 0 HZ PHE A 119 -1.958 -0.362 -1.783 1.00 0.00 H new ATOM 1926 N ASN A 120 -7.298 -3.651 -2.791 1.00 0.00 N ATOM 1927 CA ASN A 120 -7.533 -3.041 -4.108 1.00 0.00 C ATOM 1928 C ASN A 120 -9.012 -2.677 -4.371 1.00 0.00 C ATOM 1929 O ASN A 120 -9.295 -1.720 -5.098 1.00 0.00 O ATOM 1930 CB ASN A 120 -6.942 -3.948 -5.204 1.00 0.00 C ATOM 1931 CG ASN A 120 -7.626 -5.297 -5.368 1.00 0.00 C ATOM 1932 OD1 ASN A 120 -8.464 -5.712 -4.588 1.00 0.00 O ATOM 1933 ND2 ASN A 120 -7.305 -6.028 -6.406 1.00 0.00 N ATOM 0 H ASN A 120 -7.169 -4.662 -2.827 1.00 0.00 H new ATOM 0 HA ASN A 120 -7.017 -2.081 -4.126 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.987 -3.418 -6.155 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -5.888 -4.118 -4.983 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -7.755 -6.932 -6.552 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -6.605 -5.694 -7.068 1.00 0.00 H new ATOM 1940 N VAL A 121 -9.969 -3.409 -3.791 1.00 0.00 N ATOM 1941 CA VAL A 121 -11.412 -3.162 -3.965 1.00 0.00 C ATOM 1942 C VAL A 121 -11.874 -1.984 -3.106 1.00 0.00 C ATOM 1943 O VAL A 121 -12.583 -1.108 -3.599 1.00 0.00 O ATOM 1944 CB VAL A 121 -12.232 -4.445 -3.711 1.00 0.00 C ATOM 1945 CG1 VAL A 121 -13.740 -4.184 -3.586 1.00 0.00 C ATOM 1946 CG2 VAL A 121 -12.043 -5.427 -4.874 1.00 0.00 C ATOM 0 H VAL A 121 -9.765 -4.200 -3.180 1.00 0.00 H new ATOM 0 HA VAL A 121 -11.591 -2.881 -5.003 1.00 0.00 H new ATOM 0 HB VAL A 121 -11.865 -4.850 -2.768 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -14.259 -5.126 -3.408 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -13.924 -3.506 -2.753 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -14.109 -3.735 -4.508 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -12.625 -6.329 -4.687 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -12.381 -4.963 -5.801 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -10.988 -5.687 -4.963 1.00 0.00 H new ATOM 1956 N SER A 122 -11.418 -1.897 -1.854 1.00 0.00 N ATOM 1957 CA SER A 122 -11.729 -0.769 -0.960 1.00 0.00 C ATOM 1958 C SER A 122 -11.166 0.573 -1.453 1.00 0.00 C ATOM 1959 O SER A 122 -11.764 1.619 -1.190 1.00 0.00 O ATOM 1960 CB SER A 122 -11.243 -1.068 0.459 1.00 0.00 C ATOM 1961 OG SER A 122 -9.853 -1.307 0.489 1.00 0.00 O ATOM 0 H SER A 122 -10.821 -2.606 -1.427 1.00 0.00 H new ATOM 0 HA SER A 122 -12.814 -0.662 -0.960 1.00 0.00 H new ATOM 0 HB2 SER A 122 -11.483 -0.229 1.112 1.00 0.00 H new ATOM 0 HB3 SER A 122 -11.771 -1.937 0.850 1.00 0.00 H new ATOM 0 HG SER A 122 -9.670 -2.216 0.171 1.00 0.00 H new ATOM 1967 N LEU A 123 -10.076 0.553 -2.232 1.00 0.00 N ATOM 1968 CA LEU A 123 -9.574 1.711 -2.977 1.00 0.00 C ATOM 1969 C LEU A 123 -10.478 2.065 -4.169 1.00 0.00 C ATOM 1970 O LEU A 123 -11.013 3.172 -4.218 1.00 0.00 O ATOM 1971 CB LEU A 123 -8.125 1.453 -3.430 1.00 0.00 C ATOM 1972 CG LEU A 123 -7.070 1.607 -2.320 1.00 0.00 C ATOM 1973 CD1 LEU A 123 -5.719 1.091 -2.818 1.00 0.00 C ATOM 1974 CD2 LEU A 123 -6.891 3.071 -1.903 1.00 0.00 C ATOM 0 H LEU A 123 -9.509 -0.285 -2.363 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.586 2.574 -2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.060 0.444 -3.838 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -7.884 2.141 -4.241 1.00 0.00 H new ATOM 0 HG LEU A 123 -7.419 1.033 -1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -4.974 1.201 -2.030 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -5.808 0.039 -3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -5.410 1.665 -3.692 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -6.138 3.136 -1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -6.570 3.658 -2.764 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -7.838 3.462 -1.531 1.00 0.00 H new ATOM 1986 N GLN A 124 -10.679 1.146 -5.123 1.00 0.00 N ATOM 1987 CA GLN A 124 -11.395 1.462 -6.373 1.00 0.00 C ATOM 1988 C GLN A 124 -12.877 1.818 -6.148 1.00 0.00 C ATOM 1989 O GLN A 124 -13.430 2.666 -6.851 1.00 0.00 O ATOM 1990 CB GLN A 124 -11.199 0.329 -7.398 1.00 0.00 C ATOM 1991 CG GLN A 124 -12.066 -0.913 -7.158 1.00 0.00 C ATOM 1992 CD GLN A 124 -11.581 -2.111 -7.969 1.00 0.00 C ATOM 1993 OE1 GLN A 124 -12.170 -2.510 -8.965 1.00 0.00 O ATOM 1994 NE2 GLN A 124 -10.484 -2.726 -7.576 1.00 0.00 N ATOM 0 H GLN A 124 -10.358 0.180 -5.057 1.00 0.00 H new ATOM 0 HA GLN A 124 -10.954 2.369 -6.787 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -11.414 0.718 -8.393 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -10.151 0.030 -7.392 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -12.055 -1.164 -6.097 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -13.100 -0.691 -7.422 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -9.986 -2.401 -6.747 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -10.133 -3.527 -8.101 1.00 0.00 H new ATOM 2003 N ASP A 125 -13.509 1.252 -5.115 1.00 0.00 N ATOM 2004 CA ASP A 125 -14.896 1.531 -4.738 1.00 0.00 C ATOM 2005 C ASP A 125 -15.044 2.854 -3.958 1.00 0.00 C ATOM 2006 O ASP A 125 -16.161 3.268 -3.646 1.00 0.00 O ATOM 2007 CB ASP A 125 -15.459 0.326 -3.965 1.00 0.00 C ATOM 2008 CG ASP A 125 -16.976 0.416 -3.723 1.00 0.00 C ATOM 2009 OD1 ASP A 125 -17.421 0.244 -2.562 1.00 0.00 O ATOM 2010 OD2 ASP A 125 -17.737 0.628 -4.698 1.00 0.00 O ATOM 0 H ASP A 125 -13.058 0.571 -4.504 1.00 0.00 H new ATOM 0 HA ASP A 125 -15.483 1.672 -5.646 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -15.239 -0.587 -4.518 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -14.949 0.248 -3.005 1.00 0.00 H new ATOM 2015 N HIS A 126 -13.939 3.567 -3.695 1.00 0.00 N ATOM 2016 CA HIS A 126 -13.966 4.967 -3.261 1.00 0.00 C ATOM 2017 C HIS A 126 -13.682 5.976 -4.390 1.00 0.00 C ATOM 2018 O HIS A 126 -13.818 7.180 -4.178 1.00 0.00 O ATOM 2019 CB HIS A 126 -13.087 5.177 -2.018 1.00 0.00 C ATOM 2020 CG HIS A 126 -13.570 6.340 -1.179 1.00 0.00 C ATOM 2021 ND1 HIS A 126 -12.946 7.584 -1.049 1.00 0.00 N ATOM 2022 CD2 HIS A 126 -14.741 6.362 -0.479 1.00 0.00 C ATOM 2023 CE1 HIS A 126 -13.760 8.325 -0.276 1.00 0.00 C ATOM 2024 NE2 HIS A 126 -14.841 7.613 0.086 1.00 0.00 N ATOM 0 H HIS A 126 -12.997 3.184 -3.779 1.00 0.00 H new ATOM 0 HA HIS A 126 -14.994 5.184 -2.969 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -13.087 4.269 -1.415 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -12.057 5.355 -2.327 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -15.452 5.554 -0.386 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -13.571 9.348 0.013 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -15.604 7.943 0.677 1.00 0.00 H new ATOM 2032 N PHE A 127 -13.364 5.508 -5.606 1.00 0.00 N ATOM 2033 CA PHE A 127 -13.138 6.349 -6.795 1.00 0.00 C ATOM 2034 C PHE A 127 -14.174 6.179 -7.923 1.00 0.00 C ATOM 2035 O PHE A 127 -14.200 7.012 -8.831 1.00 0.00 O ATOM 2036 CB PHE A 127 -11.709 6.128 -7.314 1.00 0.00 C ATOM 2037 CG PHE A 127 -10.621 6.696 -6.421 1.00 0.00 C ATOM 2038 CD1 PHE A 127 -9.736 5.839 -5.742 1.00 0.00 C ATOM 2039 CD2 PHE A 127 -10.476 8.091 -6.289 1.00 0.00 C ATOM 2040 CE1 PHE A 127 -8.700 6.369 -4.953 1.00 0.00 C ATOM 2041 CE2 PHE A 127 -9.441 8.623 -5.499 1.00 0.00 C ATOM 2042 CZ PHE A 127 -8.548 7.762 -4.838 1.00 0.00 C ATOM 0 H PHE A 127 -13.254 4.512 -5.796 1.00 0.00 H new ATOM 0 HA PHE A 127 -13.269 7.380 -6.466 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -11.541 5.058 -7.434 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -11.621 6.578 -8.303 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -9.853 4.769 -5.827 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -11.162 8.754 -6.796 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -8.022 5.707 -4.436 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -9.332 9.693 -5.400 1.00 0.00 H new ATOM 0 HZ PHE A 127 -7.745 8.170 -4.242 1.00 0.00 H new ATOM 2052 N LYS A 128 -15.070 5.176 -7.880 1.00 0.00 N ATOM 2053 CA LYS A 128 -16.046 4.920 -8.969 1.00 0.00 C ATOM 2054 C LYS A 128 -16.929 6.122 -9.341 1.00 0.00 C ATOM 2055 O LYS A 128 -17.271 6.306 -10.507 1.00 0.00 O ATOM 2056 CB LYS A 128 -16.879 3.646 -8.725 1.00 0.00 C ATOM 2057 CG LYS A 128 -18.082 3.770 -7.772 1.00 0.00 C ATOM 2058 CD LYS A 128 -17.667 3.888 -6.306 1.00 0.00 C ATOM 2059 CE LYS A 128 -18.869 3.963 -5.361 1.00 0.00 C ATOM 2060 NZ LYS A 128 -19.564 2.657 -5.236 1.00 0.00 N ATOM 0 H LYS A 128 -15.143 4.523 -7.100 1.00 0.00 H new ATOM 0 HA LYS A 128 -15.427 4.747 -9.849 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -17.245 3.291 -9.688 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -16.214 2.876 -8.333 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -18.671 4.644 -8.050 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -18.727 2.900 -7.893 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -17.050 3.031 -6.036 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -17.051 4.778 -6.177 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -18.536 4.291 -4.377 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -19.571 4.713 -5.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -20.160 2.661 -4.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -20.159 2.499 -6.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -18.860 1.895 -5.162 1.00 0.00 H new ATOM 2074 N TRP A 129 -17.251 6.968 -8.360 1.00 0.00 N ATOM 2075 CA TRP A 129 -18.057 8.183 -8.524 1.00 0.00 C ATOM 2076 C TRP A 129 -17.267 9.364 -9.118 1.00 0.00 C ATOM 2077 O TRP A 129 -17.858 10.252 -9.734 1.00 0.00 O ATOM 2078 CB TRP A 129 -18.675 8.558 -7.170 1.00 0.00 C ATOM 2079 CG TRP A 129 -17.690 8.938 -6.104 1.00 0.00 C ATOM 2080 CD1 TRP A 129 -16.962 8.071 -5.367 1.00 0.00 C ATOM 2081 CD2 TRP A 129 -17.304 10.273 -5.640 1.00 0.00 C ATOM 2082 NE1 TRP A 129 -16.114 8.768 -4.535 1.00 0.00 N ATOM 2083 CE2 TRP A 129 -16.324 10.125 -4.613 1.00 0.00 C ATOM 2084 CE3 TRP A 129 -17.683 11.592 -5.975 1.00 0.00 C ATOM 2085 CZ2 TRP A 129 -15.772 11.221 -3.932 1.00 0.00 C ATOM 2086 CZ3 TRP A 129 -17.145 12.700 -5.292 1.00 0.00 C ATOM 2087 CH2 TRP A 129 -16.203 12.517 -4.263 1.00 0.00 C ATOM 0 H TRP A 129 -16.948 6.823 -7.397 1.00 0.00 H new ATOM 0 HA TRP A 129 -18.842 7.965 -9.248 1.00 0.00 H new ATOM 0 HB2 TRP A 129 -19.363 9.390 -7.320 1.00 0.00 H new ATOM 0 HB3 TRP A 129 -19.267 7.715 -6.812 1.00 0.00 H new ATOM 0 HD1 TRP A 129 -17.034 6.995 -5.422 1.00 0.00 H new ATOM 0 HE1 TRP A 129 -15.415 8.331 -3.934 1.00 0.00 H new ATOM 0 HE3 TRP A 129 -18.398 11.754 -6.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 -15.027 11.071 -3.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 -17.458 13.698 -5.560 1.00 0.00 H new ATOM 0 HH2 TRP A 129 -15.812 13.370 -3.729 1.00 0.00 H new ATOM 2098 N VAL A 130 -15.936 9.356 -8.988 1.00 0.00 N ATOM 2099 CA VAL A 130 -15.016 10.347 -9.580 1.00 0.00 C ATOM 2100 C VAL A 130 -14.780 10.060 -11.074 1.00 0.00 C ATOM 2101 O VAL A 130 -14.535 10.976 -11.859 1.00 0.00 O ATOM 2102 CB VAL A 130 -13.679 10.386 -8.799 1.00 0.00 C ATOM 2103 CG1 VAL A 130 -12.776 11.539 -9.255 1.00 0.00 C ATOM 2104 CG2 VAL A 130 -13.905 10.561 -7.288 1.00 0.00 C ATOM 0 H VAL A 130 -15.449 8.638 -8.451 1.00 0.00 H new ATOM 0 HA VAL A 130 -15.480 11.330 -9.503 1.00 0.00 H new ATOM 0 HB VAL A 130 -13.199 9.429 -9.005 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -11.851 11.526 -8.679 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -12.546 11.424 -10.314 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -13.289 12.488 -9.096 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -12.943 10.583 -6.776 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -14.435 11.496 -7.105 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -14.498 9.728 -6.910 1.00 0.00 H new ATOM 2114 N LYS A 131 -14.923 8.792 -11.491 1.00 0.00 N ATOM 2115 CA LYS A 131 -14.732 8.283 -12.862 1.00 0.00 C ATOM 2116 C LYS A 131 -16.054 8.200 -13.653 1.00 0.00 C ATOM 2117 O LYS A 131 -16.201 7.391 -14.568 1.00 0.00 O ATOM 2118 CB LYS A 131 -13.914 6.974 -12.759 1.00 0.00 C ATOM 2119 CG LYS A 131 -13.404 6.324 -14.063 1.00 0.00 C ATOM 2120 CD LYS A 131 -12.798 7.274 -15.108 1.00 0.00 C ATOM 2121 CE LYS A 131 -11.626 8.102 -14.566 1.00 0.00 C ATOM 2122 NZ LYS A 131 -11.052 8.966 -15.630 1.00 0.00 N ATOM 0 H LYS A 131 -15.191 8.050 -10.844 1.00 0.00 H new ATOM 0 HA LYS A 131 -14.156 8.981 -13.470 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -13.049 7.172 -12.126 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -14.528 6.239 -12.239 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -12.653 5.579 -13.802 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -14.234 5.791 -14.526 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -12.457 6.692 -15.964 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -13.574 7.949 -15.469 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -11.965 8.719 -13.734 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -10.855 7.437 -14.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -10.283 9.542 -15.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -10.678 8.371 -16.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -11.793 9.591 -16.007 1.00 0.00 H new ATOM 2136 N GLN A 132 -17.026 9.048 -13.309 1.00 0.00 N ATOM 2137 CA GLN A 132 -18.290 9.189 -14.034 1.00 0.00 C ATOM 2138 C GLN A 132 -18.120 10.137 -15.233 1.00 0.00 C ATOM 2139 O GLN A 132 -18.213 11.362 -15.111 1.00 0.00 O ATOM 2140 CB GLN A 132 -19.414 9.662 -13.104 1.00 0.00 C ATOM 2141 CG GLN A 132 -19.819 8.599 -12.075 1.00 0.00 C ATOM 2142 CD GLN A 132 -20.956 9.092 -11.181 1.00 0.00 C ATOM 2143 OE1 GLN A 132 -22.112 8.716 -11.329 1.00 0.00 O ATOM 2144 NE2 GLN A 132 -20.681 9.960 -10.229 1.00 0.00 N ATOM 0 H GLN A 132 -16.955 9.668 -12.502 1.00 0.00 H new ATOM 0 HA GLN A 132 -18.575 8.208 -14.415 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -19.093 10.563 -12.582 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -20.284 9.933 -13.702 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -20.128 7.690 -12.591 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -18.957 8.339 -11.460 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -19.723 10.282 -10.094 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -21.426 10.310 -9.627 1.00 0.00 H new ATOM 2153 N GLU A 133 -17.856 9.547 -16.396 1.00 0.00 N ATOM 2154 CA GLU A 133 -17.696 10.209 -17.710 1.00 0.00 C ATOM 2155 C GLU A 133 -18.211 9.366 -18.895 1.00 0.00 C ATOM 2156 O GLU A 133 -18.602 9.969 -19.921 1.00 0.00 O ATOM 2157 CB GLU A 133 -16.229 10.645 -17.912 1.00 0.00 C ATOM 2158 CG GLU A 133 -15.210 9.494 -17.989 1.00 0.00 C ATOM 2159 CD GLU A 133 -13.774 10.034 -18.155 1.00 0.00 C ATOM 2160 OE1 GLU A 133 -13.347 10.314 -19.304 1.00 0.00 O ATOM 2161 OE2 GLU A 133 -13.046 10.166 -17.140 1.00 0.00 O ATOM 2162 OXT GLU A 133 -18.257 8.118 -18.790 1.00 0.00 O ATOM 0 H GLU A 133 -17.739 8.536 -16.462 1.00 0.00 H new ATOM 0 HA GLU A 133 -18.330 11.096 -17.696 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -16.163 11.230 -18.830 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -15.946 11.305 -17.092 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -15.272 8.888 -17.085 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -15.456 8.842 -18.827 1.00 0.00 H new TER 2169 GLU A 133