USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 759 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 50 TYR OH : rot -14:sc= -1.42! USER MOD Set 1.2: A 59 THR OG1 : rot 180:sc= 0.00785 USER MOD Set 1.3: A 62 GLN : amide:sc= -0.0195 K(o=-1.4,f=-13!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0.301 X(o=0.3,f=0) USER MOD Single : A 35 LYS NZ :NH3+ -179:sc= 0.941 (180deg=0.932) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 152:sc= -1.47 (180deg=-3.21!) USER MOD Single : A 51 LYS NZ :NH3+ -152:sc= 0.305 (180deg=0.0579) USER MOD Single : A 54 ASN : amide:sc= 0.0781 X(o=0.078,f=-0.17) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 68:sc= 1.12 USER MOD Single : A 65 GLN : amide:sc= -0.778 X(o=-0.78,f=-0.76) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0352 USER MOD Single : A 76 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-1.9!) USER MOD Single : A 79 ASN : amide:sc= -0.425 K(o=-0.42,f=-1.2) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot -84:sc= 0.0808 USER MOD Single : A 91 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 96 SER OG : rot 77:sc= 1.04 USER MOD Single : A 98 TYR OH : rot 10:sc= -1.81 USER MOD Single : A 99 GLN : amide:sc= -4.57 X(o=-4.6,f=-4.2!) USER MOD Single : A 102 SER OG : rot 28:sc= 0.0501 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 HIS : no HE2:sc= 0.883 K(o=0.88,f=-6.5!) USER MOD Single : A 108 GLN : amide:sc= -1.82 K(o=-1.8,f=-4.1!) USER MOD Single : A 113 SER OG : rot -71:sc= 0 USER MOD Single : A 122 SER OG : rot 67:sc= -9.64! USER MOD Single : A 123 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 ASN : amide:sc= -1.4 X(o=-1.4,f=-1.2) USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 63 N GLU A 29 19.216 -5.566 -2.865 1.00 0.00 N ATOM 64 CA GLU A 29 18.131 -4.694 -2.433 1.00 0.00 C ATOM 65 C GLU A 29 17.418 -4.075 -3.629 1.00 0.00 C ATOM 66 O GLU A 29 16.190 -4.025 -3.670 1.00 0.00 O ATOM 67 CB GLU A 29 18.683 -3.582 -1.546 1.00 0.00 C ATOM 68 CG GLU A 29 17.626 -2.625 -1.026 1.00 0.00 C ATOM 69 CD GLU A 29 18.214 -1.290 -0.637 1.00 0.00 C ATOM 70 OE1 GLU A 29 17.974 -0.303 -1.360 1.00 0.00 O ATOM 71 OE2 GLU A 29 18.942 -1.223 0.377 1.00 0.00 O ATOM 0 HA GLU A 29 17.415 -5.296 -1.873 1.00 0.00 H new ATOM 0 HB2 GLU A 29 19.201 -4.031 -0.698 1.00 0.00 H new ATOM 0 HB3 GLU A 29 19.425 -3.016 -2.110 1.00 0.00 H new ATOM 0 HG2 GLU A 29 16.864 -2.476 -1.791 1.00 0.00 H new ATOM 0 HG3 GLU A 29 17.129 -3.068 -0.163 1.00 0.00 H new ATOM 78 N LYS A 30 18.201 -3.629 -4.609 1.00 0.00 N ATOM 79 CA LYS A 30 17.667 -2.929 -5.774 1.00 0.00 C ATOM 80 C LYS A 30 16.684 -3.805 -6.537 1.00 0.00 C ATOM 81 O LYS A 30 15.663 -3.327 -7.026 1.00 0.00 O ATOM 82 CB LYS A 30 18.807 -2.499 -6.702 1.00 0.00 C ATOM 83 CG LYS A 30 19.804 -1.550 -6.053 1.00 0.00 C ATOM 84 CD LYS A 30 19.194 -0.190 -5.750 1.00 0.00 C ATOM 85 CE LYS A 30 18.838 0.562 -7.023 1.00 0.00 C ATOM 86 NZ LYS A 30 18.394 1.948 -6.738 1.00 0.00 N ATOM 0 H LYS A 30 19.215 -3.741 -4.618 1.00 0.00 H new ATOM 0 HA LYS A 30 17.137 -2.045 -5.420 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.337 -3.387 -7.047 1.00 0.00 H new ATOM 0 HB3 LYS A 30 18.383 -2.018 -7.584 1.00 0.00 H new ATOM 0 HG2 LYS A 30 20.175 -1.993 -5.129 1.00 0.00 H new ATOM 0 HG3 LYS A 30 20.662 -1.422 -6.712 1.00 0.00 H new ATOM 0 HD2 LYS A 30 18.299 -0.320 -5.141 1.00 0.00 H new ATOM 0 HD3 LYS A 30 19.896 0.401 -5.162 1.00 0.00 H new ATOM 0 HE2 LYS A 30 19.704 0.587 -7.685 1.00 0.00 H new ATOM 0 HE3 LYS A 30 18.048 0.029 -7.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 18.160 2.428 -7.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 17.553 1.924 -6.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 19.157 2.465 -6.256 1.00 0.00 H new ATOM 100 N ALA A 31 16.994 -5.087 -6.627 1.00 0.00 N ATOM 101 CA ALA A 31 16.141 -6.020 -7.342 1.00 0.00 C ATOM 102 C ALA A 31 14.852 -6.276 -6.575 1.00 0.00 C ATOM 103 O ALA A 31 13.759 -6.227 -7.142 1.00 0.00 O ATOM 104 CB ALA A 31 16.883 -7.323 -7.587 1.00 0.00 C ATOM 0 H ALA A 31 17.828 -5.505 -6.215 1.00 0.00 H new ATOM 0 HA ALA A 31 15.878 -5.579 -8.303 1.00 0.00 H new ATOM 0 HB1 ALA A 31 16.235 -8.016 -8.124 1.00 0.00 H new ATOM 0 HB2 ALA A 31 17.776 -7.127 -8.181 1.00 0.00 H new ATOM 0 HB3 ALA A 31 17.172 -7.762 -6.632 1.00 0.00 H new ATOM 110 N ASP A 32 14.982 -6.522 -5.280 1.00 0.00 N ATOM 111 CA ASP A 32 13.831 -6.851 -4.450 1.00 0.00 C ATOM 112 C ASP A 32 12.909 -5.655 -4.266 1.00 0.00 C ATOM 113 O ASP A 32 11.689 -5.794 -4.343 1.00 0.00 O ATOM 114 CB ASP A 32 14.271 -7.393 -3.089 1.00 0.00 C ATOM 115 CG ASP A 32 14.896 -8.770 -3.189 1.00 0.00 C ATOM 116 OD1 ASP A 32 15.994 -8.972 -2.632 1.00 0.00 O ATOM 117 OD2 ASP A 32 14.295 -9.657 -3.834 1.00 0.00 O ATOM 0 H ASP A 32 15.871 -6.500 -4.781 1.00 0.00 H new ATOM 0 HA ASP A 32 13.273 -7.629 -4.971 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.987 -6.704 -2.641 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.410 -7.436 -2.422 1.00 0.00 H new ATOM 122 N ARG A 33 13.486 -4.480 -4.033 1.00 0.00 N ATOM 123 CA ARG A 33 12.688 -3.280 -3.809 1.00 0.00 C ATOM 124 C ARG A 33 11.843 -2.945 -5.036 1.00 0.00 C ATOM 125 O ARG A 33 10.732 -2.448 -4.899 1.00 0.00 O ATOM 126 CB ARG A 33 13.541 -2.082 -3.365 1.00 0.00 C ATOM 127 CG ARG A 33 14.532 -1.567 -4.394 1.00 0.00 C ATOM 128 CD ARG A 33 15.363 -0.426 -3.818 1.00 0.00 C ATOM 129 NE ARG A 33 14.527 0.703 -3.409 1.00 0.00 N ATOM 130 CZ ARG A 33 14.728 1.436 -2.309 1.00 0.00 C ATOM 131 NH1 ARG A 33 15.741 1.176 -1.490 1.00 0.00 N ATOM 132 NH2 ARG A 33 13.907 2.438 -2.029 1.00 0.00 N ATOM 0 H ARG A 33 14.495 -4.334 -3.995 1.00 0.00 H new ATOM 0 HA ARG A 33 12.010 -3.498 -2.984 1.00 0.00 H new ATOM 0 HB2 ARG A 33 12.874 -1.266 -3.089 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.090 -2.363 -2.466 1.00 0.00 H new ATOM 0 HG2 ARG A 33 15.188 -2.377 -4.711 1.00 0.00 H new ATOM 0 HG3 ARG A 33 13.998 -1.223 -5.280 1.00 0.00 H new ATOM 0 HD2 ARG A 33 15.931 -0.787 -2.961 1.00 0.00 H new ATOM 0 HD3 ARG A 33 16.086 -0.092 -4.562 1.00 0.00 H new ATOM 0 HE ARG A 33 13.736 0.948 -4.004 1.00 0.00 H new ATOM 0 HH11 ARG A 33 16.379 0.408 -1.696 1.00 0.00 H new ATOM 0 HH12 ARG A 33 15.881 1.745 -0.655 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.126 2.647 -2.651 1.00 0.00 H new ATOM 0 HH22 ARG A 33 14.056 3.000 -1.191 1.00 0.00 H new ATOM 146 N GLN A 34 12.370 -3.213 -6.231 1.00 0.00 N ATOM 147 CA GLN A 34 11.601 -3.017 -7.462 1.00 0.00 C ATOM 148 C GLN A 34 10.321 -3.856 -7.451 1.00 0.00 C ATOM 149 O GLN A 34 9.271 -3.414 -7.928 1.00 0.00 O ATOM 150 CB GLN A 34 12.440 -3.367 -8.691 1.00 0.00 C ATOM 151 CG GLN A 34 13.471 -2.313 -9.048 1.00 0.00 C ATOM 152 CD GLN A 34 14.280 -2.689 -10.272 1.00 0.00 C ATOM 153 OE1 GLN A 34 13.905 -2.376 -11.403 1.00 0.00 O ATOM 154 NE2 GLN A 34 15.397 -3.364 -10.056 1.00 0.00 N ATOM 0 H GLN A 34 13.317 -3.563 -6.373 1.00 0.00 H new ATOM 0 HA GLN A 34 11.326 -1.963 -7.513 1.00 0.00 H new ATOM 0 HB2 GLN A 34 12.949 -4.315 -8.514 1.00 0.00 H new ATOM 0 HB3 GLN A 34 11.776 -3.516 -9.543 1.00 0.00 H new ATOM 0 HG2 GLN A 34 12.968 -1.362 -9.226 1.00 0.00 H new ATOM 0 HG3 GLN A 34 14.143 -2.165 -8.203 1.00 0.00 H new ATOM 0 HE21 GLN A 34 15.672 -3.604 -9.103 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.983 -3.645 -10.842 1.00 0.00 H new ATOM 163 N LYS A 35 10.409 -5.061 -6.895 1.00 0.00 N ATOM 164 CA LYS A 35 9.241 -5.921 -6.741 1.00 0.00 C ATOM 165 C LYS A 35 8.295 -5.320 -5.711 1.00 0.00 C ATOM 166 O LYS A 35 7.077 -5.330 -5.888 1.00 0.00 O ATOM 167 CB LYS A 35 9.660 -7.329 -6.307 1.00 0.00 C ATOM 168 CG LYS A 35 8.496 -8.302 -6.167 1.00 0.00 C ATOM 169 CD LYS A 35 7.892 -8.656 -7.517 1.00 0.00 C ATOM 170 CE LYS A 35 6.704 -9.595 -7.370 1.00 0.00 C ATOM 171 NZ LYS A 35 5.506 -8.906 -6.825 1.00 0.00 N ATOM 0 H LYS A 35 11.278 -5.464 -6.544 1.00 0.00 H new ATOM 0 HA LYS A 35 8.732 -5.994 -7.702 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.369 -7.727 -7.033 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.184 -7.264 -5.353 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.839 -9.211 -5.672 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.729 -7.862 -5.529 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.576 -7.745 -8.025 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.651 -9.124 -8.144 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.462 -10.026 -8.341 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.976 -10.421 -6.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.728 -9.589 -6.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.732 -8.502 -5.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.219 -8.145 -7.473 1.00 0.00 H new ATOM 185 N VAL A 36 8.878 -4.771 -4.649 1.00 0.00 N ATOM 186 CA VAL A 36 8.110 -4.134 -3.589 1.00 0.00 C ATOM 187 C VAL A 36 7.324 -2.954 -4.143 1.00 0.00 C ATOM 188 O VAL A 36 6.162 -2.754 -3.799 1.00 0.00 O ATOM 189 CB VAL A 36 9.021 -3.641 -2.444 1.00 0.00 C ATOM 190 CG1 VAL A 36 8.199 -3.052 -1.309 1.00 0.00 C ATOM 191 CG2 VAL A 36 9.897 -4.768 -1.935 1.00 0.00 C ATOM 0 H VAL A 36 9.887 -4.756 -4.501 1.00 0.00 H new ATOM 0 HA VAL A 36 7.425 -4.882 -3.190 1.00 0.00 H new ATOM 0 HB VAL A 36 9.664 -2.855 -2.841 1.00 0.00 H new ATOM 0 HG11 VAL A 36 8.865 -2.712 -0.516 1.00 0.00 H new ATOM 0 HG12 VAL A 36 7.618 -2.208 -1.681 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.524 -3.812 -0.916 1.00 0.00 H new ATOM 0 HG21 VAL A 36 10.531 -4.400 -1.129 1.00 0.00 H new ATOM 0 HG22 VAL A 36 9.269 -5.577 -1.562 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.522 -5.139 -2.748 1.00 0.00 H new ATOM 201 N VAL A 37 7.970 -2.184 -5.010 1.00 0.00 N ATOM 202 CA VAL A 37 7.323 -1.062 -5.673 1.00 0.00 C ATOM 203 C VAL A 37 6.137 -1.541 -6.503 1.00 0.00 C ATOM 204 O VAL A 37 5.080 -0.920 -6.496 1.00 0.00 O ATOM 205 CB VAL A 37 8.311 -0.289 -6.578 1.00 0.00 C ATOM 206 CG1 VAL A 37 7.600 0.822 -7.340 1.00 0.00 C ATOM 207 CG2 VAL A 37 9.453 0.285 -5.754 1.00 0.00 C ATOM 0 H VAL A 37 8.947 -2.319 -5.270 1.00 0.00 H new ATOM 0 HA VAL A 37 6.970 -0.386 -4.895 1.00 0.00 H new ATOM 0 HB VAL A 37 8.721 -0.992 -7.303 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.318 1.349 -7.968 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.818 0.391 -7.965 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.155 1.521 -6.632 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.138 0.825 -6.408 1.00 0.00 H new ATOM 0 HG22 VAL A 37 9.053 0.967 -5.004 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.988 -0.526 -5.259 1.00 0.00 H new ATOM 217 N SER A 38 6.310 -2.664 -7.193 1.00 0.00 N ATOM 218 CA SER A 38 5.256 -3.209 -8.042 1.00 0.00 C ATOM 219 C SER A 38 3.996 -3.506 -7.225 1.00 0.00 C ATOM 220 O SER A 38 2.888 -3.094 -7.590 1.00 0.00 O ATOM 221 CB SER A 38 5.754 -4.488 -8.727 1.00 0.00 C ATOM 222 OG SER A 38 4.768 -5.042 -9.584 1.00 0.00 O ATOM 0 H SER A 38 7.169 -3.214 -7.181 1.00 0.00 H new ATOM 0 HA SER A 38 5.002 -2.468 -8.800 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.653 -4.266 -9.302 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.032 -5.222 -7.970 1.00 0.00 H new ATOM 0 HG SER A 38 5.119 -5.854 -10.005 1.00 0.00 H new ATOM 228 N ASP A 39 4.175 -4.183 -6.098 1.00 0.00 N ATOM 229 CA ASP A 39 3.058 -4.505 -5.220 1.00 0.00 C ATOM 230 C ASP A 39 2.535 -3.243 -4.550 1.00 0.00 C ATOM 231 O ASP A 39 1.337 -3.102 -4.312 1.00 0.00 O ATOM 232 CB ASP A 39 3.464 -5.541 -4.169 1.00 0.00 C ATOM 233 CG ASP A 39 3.777 -6.893 -4.780 1.00 0.00 C ATOM 234 OD1 ASP A 39 2.833 -7.589 -5.212 1.00 0.00 O ATOM 235 OD2 ASP A 39 4.967 -7.266 -4.840 1.00 0.00 O ATOM 0 H ASP A 39 5.081 -4.519 -5.771 1.00 0.00 H new ATOM 0 HA ASP A 39 2.262 -4.937 -5.826 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.337 -5.180 -3.626 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.659 -5.651 -3.442 1.00 0.00 H new ATOM 240 N LEU A 40 3.445 -2.327 -4.261 1.00 0.00 N ATOM 241 CA LEU A 40 3.102 -1.048 -3.653 1.00 0.00 C ATOM 242 C LEU A 40 2.163 -0.252 -4.563 1.00 0.00 C ATOM 243 O LEU A 40 1.218 0.381 -4.092 1.00 0.00 O ATOM 244 CB LEU A 40 4.383 -0.257 -3.379 1.00 0.00 C ATOM 245 CG LEU A 40 4.251 0.917 -2.414 1.00 0.00 C ATOM 246 CD1 LEU A 40 3.822 0.434 -1.036 1.00 0.00 C ATOM 247 CD2 LEU A 40 5.570 1.665 -2.326 1.00 0.00 C ATOM 0 H LEU A 40 4.442 -2.447 -4.440 1.00 0.00 H new ATOM 0 HA LEU A 40 2.583 -1.228 -2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.133 -0.943 -2.985 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.764 0.120 -4.328 1.00 0.00 H new ATOM 0 HG LEU A 40 3.484 1.594 -2.791 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.734 1.287 -0.363 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.859 -0.071 -1.111 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.566 -0.261 -0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.468 2.502 -1.635 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.347 0.991 -1.967 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.842 2.040 -3.313 1.00 0.00 H new ATOM 259 N VAL A 41 2.422 -0.299 -5.869 1.00 0.00 N ATOM 260 CA VAL A 41 1.548 0.345 -6.848 1.00 0.00 C ATOM 261 C VAL A 41 0.166 -0.301 -6.826 1.00 0.00 C ATOM 262 O VAL A 41 -0.855 0.377 -6.968 1.00 0.00 O ATOM 263 CB VAL A 41 2.121 0.269 -8.281 1.00 0.00 C ATOM 264 CG1 VAL A 41 1.218 0.995 -9.268 1.00 0.00 C ATOM 265 CG2 VAL A 41 3.525 0.845 -8.334 1.00 0.00 C ATOM 0 H VAL A 41 3.228 -0.775 -6.273 1.00 0.00 H new ATOM 0 HA VAL A 41 1.476 1.396 -6.568 1.00 0.00 H new ATOM 0 HB VAL A 41 2.167 -0.783 -8.564 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.644 0.927 -10.269 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.229 0.536 -9.262 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.133 2.043 -8.981 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.907 0.780 -9.353 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.502 1.889 -8.021 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.175 0.280 -7.666 1.00 0.00 H new ATOM 275 N ALA A 42 0.142 -1.620 -6.646 1.00 0.00 N ATOM 276 CA ALA A 42 -1.117 -2.349 -6.535 1.00 0.00 C ATOM 277 C ALA A 42 -1.918 -1.857 -5.333 1.00 0.00 C ATOM 278 O ALA A 42 -3.147 -1.786 -5.382 1.00 0.00 O ATOM 279 CB ALA A 42 -0.864 -3.847 -6.426 1.00 0.00 C ATOM 0 H ALA A 42 0.976 -2.202 -6.574 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.698 -2.163 -7.438 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.816 -4.372 -6.344 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.335 -4.192 -7.314 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.260 -4.051 -5.542 1.00 0.00 H new ATOM 285 N LEU A 43 -1.216 -1.507 -4.260 1.00 0.00 N ATOM 286 CA LEU A 43 -1.858 -0.936 -3.082 1.00 0.00 C ATOM 287 C LEU A 43 -2.491 0.406 -3.419 1.00 0.00 C ATOM 288 O LEU A 43 -3.648 0.651 -3.084 1.00 0.00 O ATOM 289 CB LEU A 43 -0.864 -0.770 -1.931 1.00 0.00 C ATOM 290 CG LEU A 43 -0.792 -1.945 -0.959 1.00 0.00 C ATOM 291 CD1 LEU A 43 -0.389 -3.216 -1.676 1.00 0.00 C ATOM 292 CD2 LEU A 43 0.174 -1.633 0.166 1.00 0.00 C ATOM 0 H LEU A 43 -0.204 -1.609 -4.182 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.637 -1.628 -2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.128 -0.605 -2.350 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.127 0.128 -1.372 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.783 -2.102 -0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.345 -4.038 -0.962 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.122 -3.446 -2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.591 -3.080 -2.134 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.217 -2.478 0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.166 -1.450 -0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.166 -0.747 0.702 1.00 0.00 H new ATOM 304 N GLU A 44 -1.734 1.265 -4.096 1.00 0.00 N ATOM 305 CA GLU A 44 -2.251 2.558 -4.530 1.00 0.00 C ATOM 306 C GLU A 44 -3.498 2.388 -5.380 1.00 0.00 C ATOM 307 O GLU A 44 -4.431 3.182 -5.289 1.00 0.00 O ATOM 308 CB GLU A 44 -1.201 3.331 -5.321 1.00 0.00 C ATOM 309 CG GLU A 44 -0.270 4.142 -4.447 1.00 0.00 C ATOM 310 CD GLU A 44 -1.005 5.195 -3.638 1.00 0.00 C ATOM 311 OE1 GLU A 44 -1.449 6.205 -4.230 1.00 0.00 O ATOM 312 OE2 GLU A 44 -1.125 5.036 -2.410 1.00 0.00 O ATOM 0 H GLU A 44 -0.763 1.089 -4.355 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.506 3.123 -3.633 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.613 2.630 -5.913 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.703 3.998 -6.022 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.262 3.474 -3.770 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.480 4.626 -5.072 1.00 0.00 H new ATOM 319 N GLY A 45 -3.504 1.348 -6.202 1.00 0.00 N ATOM 320 CA GLY A 45 -4.659 1.055 -7.020 1.00 0.00 C ATOM 321 C GLY A 45 -5.853 0.645 -6.187 1.00 0.00 C ATOM 322 O GLY A 45 -6.961 1.126 -6.405 1.00 0.00 O ATOM 0 H GLY A 45 -2.724 0.700 -6.316 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.915 1.933 -7.614 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.414 0.257 -7.721 1.00 0.00 H new ATOM 326 N ALA A 46 -5.623 -0.234 -5.220 1.00 0.00 N ATOM 327 CA ALA A 46 -6.678 -0.677 -4.317 1.00 0.00 C ATOM 328 C ALA A 46 -7.238 0.496 -3.523 1.00 0.00 C ATOM 329 O ALA A 46 -8.450 0.643 -3.381 1.00 0.00 O ATOM 330 CB ALA A 46 -6.147 -1.743 -3.377 1.00 0.00 C ATOM 0 H ALA A 46 -4.712 -0.656 -5.040 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.486 -1.102 -4.913 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.943 -2.067 -2.707 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.792 -2.595 -3.957 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.324 -1.334 -2.791 1.00 0.00 H new ATOM 336 N LEU A 47 -6.340 1.328 -3.019 1.00 0.00 N ATOM 337 CA LEU A 47 -6.714 2.526 -2.278 1.00 0.00 C ATOM 338 C LEU A 47 -7.489 3.489 -3.169 1.00 0.00 C ATOM 339 O LEU A 47 -8.490 4.076 -2.748 1.00 0.00 O ATOM 340 CB LEU A 47 -5.461 3.212 -1.724 1.00 0.00 C ATOM 341 CG LEU A 47 -4.975 2.726 -0.348 1.00 0.00 C ATOM 342 CD1 LEU A 47 -4.860 1.210 -0.294 1.00 0.00 C ATOM 343 CD2 LEU A 47 -3.635 3.362 -0.014 1.00 0.00 C ATOM 0 H LEU A 47 -5.333 1.194 -3.111 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.356 2.233 -1.447 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.651 3.077 -2.441 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.656 4.283 -1.660 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.716 3.029 0.391 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.514 0.906 0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.835 0.764 -0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.148 0.872 -1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.299 3.012 0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.902 3.084 -0.771 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.742 4.447 0.007 1.00 0.00 H new ATOM 355 N ASP A 48 -7.025 3.632 -4.404 1.00 0.00 N ATOM 356 CA ASP A 48 -7.670 4.497 -5.383 1.00 0.00 C ATOM 357 C ASP A 48 -9.078 3.998 -5.689 1.00 0.00 C ATOM 358 O ASP A 48 -10.029 4.777 -5.722 1.00 0.00 O ATOM 359 CB ASP A 48 -6.832 4.552 -6.667 1.00 0.00 C ATOM 360 CG ASP A 48 -7.423 5.460 -7.728 1.00 0.00 C ATOM 361 OD1 ASP A 48 -7.785 4.956 -8.812 1.00 0.00 O ATOM 362 OD2 ASP A 48 -7.505 6.686 -7.493 1.00 0.00 O ATOM 0 H ASP A 48 -6.195 3.154 -4.754 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.744 5.502 -4.968 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -5.827 4.896 -6.423 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.735 3.545 -7.073 1.00 0.00 H new ATOM 367 N MET A 49 -9.201 2.691 -5.883 1.00 0.00 N ATOM 368 CA MET A 49 -10.491 2.066 -6.155 1.00 0.00 C ATOM 369 C MET A 49 -11.420 2.182 -4.952 1.00 0.00 C ATOM 370 O MET A 49 -12.603 2.502 -5.097 1.00 0.00 O ATOM 371 CB MET A 49 -10.312 0.588 -6.521 1.00 0.00 C ATOM 372 CG MET A 49 -9.587 0.340 -7.841 1.00 0.00 C ATOM 373 SD MET A 49 -10.681 0.315 -9.282 1.00 0.00 S ATOM 374 CE MET A 49 -11.171 2.034 -9.415 1.00 0.00 C ATOM 0 H MET A 49 -8.417 2.038 -5.857 1.00 0.00 H new ATOM 0 HA MET A 49 -10.939 2.592 -6.998 1.00 0.00 H new ATOM 0 HB2 MET A 49 -9.760 0.094 -5.721 1.00 0.00 H new ATOM 0 HB3 MET A 49 -11.294 0.118 -6.568 1.00 0.00 H new ATOM 0 HG2 MET A 49 -8.834 1.115 -7.982 1.00 0.00 H new ATOM 0 HG3 MET A 49 -9.058 -0.611 -7.781 1.00 0.00 H new ATOM 0 HE1 MET A 49 -11.401 2.267 -10.455 1.00 0.00 H new ATOM 0 HE2 MET A 49 -12.054 2.209 -8.800 1.00 0.00 H new ATOM 0 HE3 MET A 49 -10.357 2.672 -9.071 1.00 0.00 H new ATOM 384 N TYR A 50 -10.878 1.928 -3.766 1.00 0.00 N ATOM 385 CA TYR A 50 -11.671 1.952 -2.546 1.00 0.00 C ATOM 386 C TYR A 50 -12.188 3.357 -2.257 1.00 0.00 C ATOM 387 O TYR A 50 -13.362 3.529 -1.931 1.00 0.00 O ATOM 388 CB TYR A 50 -10.866 1.425 -1.351 1.00 0.00 C ATOM 389 CG TYR A 50 -11.686 1.311 -0.082 1.00 0.00 C ATOM 390 CD1 TYR A 50 -12.446 0.176 0.181 1.00 0.00 C ATOM 391 CD2 TYR A 50 -11.714 2.343 0.844 1.00 0.00 C ATOM 392 CE1 TYR A 50 -13.209 0.079 1.328 1.00 0.00 C ATOM 393 CE2 TYR A 50 -12.470 2.252 1.993 1.00 0.00 C ATOM 394 CZ TYR A 50 -13.216 1.120 2.230 1.00 0.00 C ATOM 395 OH TYR A 50 -13.979 1.038 3.369 1.00 0.00 O ATOM 0 H TYR A 50 -9.893 1.703 -3.625 1.00 0.00 H new ATOM 0 HA TYR A 50 -12.527 1.294 -2.698 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -10.457 0.446 -1.600 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -10.020 2.088 -1.171 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -12.439 -0.643 -0.523 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -11.133 3.235 0.661 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -13.796 -0.807 1.517 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -12.477 3.065 2.704 1.00 0.00 H new ATOM 0 HH TYR A 50 -14.614 0.296 3.285 1.00 0.00 H new ATOM 405 N LYS A 51 -11.323 4.362 -2.383 1.00 0.00 N ATOM 406 CA LYS A 51 -11.741 5.737 -2.139 1.00 0.00 C ATOM 407 C LYS A 51 -12.688 6.210 -3.232 1.00 0.00 C ATOM 408 O LYS A 51 -13.592 6.997 -2.976 1.00 0.00 O ATOM 409 CB LYS A 51 -10.550 6.698 -2.037 1.00 0.00 C ATOM 410 CG LYS A 51 -10.987 8.126 -1.735 1.00 0.00 C ATOM 411 CD LYS A 51 -9.824 9.098 -1.657 1.00 0.00 C ATOM 412 CE LYS A 51 -10.324 10.515 -1.414 1.00 0.00 C ATOM 413 NZ LYS A 51 -9.215 11.491 -1.248 1.00 0.00 N ATOM 0 H LYS A 51 -10.344 4.251 -2.648 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.258 5.744 -1.179 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.874 6.354 -1.255 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.991 6.681 -2.972 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.680 8.459 -2.507 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.531 8.142 -0.790 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.149 8.802 -0.854 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.251 9.063 -2.584 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.952 10.823 -2.250 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.951 10.527 -0.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.532 12.278 -0.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.402 11.020 -0.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.934 11.859 -2.179 1.00 0.00 H new ATOM 427 N LEU A 52 -12.485 5.728 -4.447 1.00 0.00 N ATOM 428 CA LEU A 52 -13.354 6.096 -5.553 1.00 0.00 C ATOM 429 C LEU A 52 -14.772 5.587 -5.305 1.00 0.00 C ATOM 430 O LEU A 52 -15.751 6.287 -5.558 1.00 0.00 O ATOM 431 CB LEU A 52 -12.810 5.528 -6.866 1.00 0.00 C ATOM 432 CG LEU A 52 -13.568 5.953 -8.123 1.00 0.00 C ATOM 433 CD1 LEU A 52 -13.509 7.463 -8.299 1.00 0.00 C ATOM 434 CD2 LEU A 52 -13.002 5.251 -9.348 1.00 0.00 C ATOM 0 H LEU A 52 -11.732 5.085 -4.692 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.382 7.183 -5.627 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.768 5.830 -6.970 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.821 4.440 -6.805 1.00 0.00 H new ATOM 0 HG LEU A 52 -14.612 5.662 -8.010 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -14.054 7.746 -9.199 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -13.961 7.948 -7.434 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -12.470 7.778 -8.390 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -13.553 5.565 -10.234 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -11.950 5.512 -9.463 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -13.097 4.172 -9.225 1.00 0.00 H new ATOM 446 N ASP A 53 -14.873 4.358 -4.814 1.00 0.00 N ATOM 447 CA ASP A 53 -16.173 3.754 -4.540 1.00 0.00 C ATOM 448 C ASP A 53 -16.790 4.289 -3.244 1.00 0.00 C ATOM 449 O ASP A 53 -17.943 4.717 -3.227 1.00 0.00 O ATOM 450 CB ASP A 53 -16.039 2.232 -4.451 1.00 0.00 C ATOM 451 CG ASP A 53 -17.382 1.535 -4.345 1.00 0.00 C ATOM 452 OD1 ASP A 53 -17.931 1.446 -3.227 1.00 0.00 O ATOM 453 OD2 ASP A 53 -17.896 1.070 -5.383 1.00 0.00 O ATOM 0 H ASP A 53 -14.075 3.761 -4.598 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.835 4.020 -5.364 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -15.512 1.865 -5.331 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -15.430 1.974 -3.584 1.00 0.00 H new ATOM 458 N ASN A 54 -16.003 4.304 -2.172 1.00 0.00 N ATOM 459 CA ASN A 54 -16.533 4.572 -0.831 1.00 0.00 C ATOM 460 C ASN A 54 -16.325 6.018 -0.398 1.00 0.00 C ATOM 461 O ASN A 54 -16.778 6.415 0.677 1.00 0.00 O ATOM 462 CB ASN A 54 -15.889 3.640 0.200 1.00 0.00 C ATOM 463 CG ASN A 54 -16.292 2.192 0.011 1.00 0.00 C ATOM 464 OD1 ASN A 54 -17.292 1.736 0.567 1.00 0.00 O ATOM 465 ND2 ASN A 54 -15.519 1.455 -0.772 1.00 0.00 N ATOM 0 H ASN A 54 -14.998 4.135 -2.201 1.00 0.00 H new ATOM 0 HA ASN A 54 -17.606 4.388 -0.881 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.804 3.723 0.131 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -16.171 3.963 1.202 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -15.744 0.473 -0.932 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.699 1.869 -1.215 1.00 0.00 H new ATOM 472 N SER A 55 -15.625 6.785 -1.225 1.00 0.00 N ATOM 473 CA SER A 55 -15.381 8.205 -0.971 1.00 0.00 C ATOM 474 C SER A 55 -14.499 8.423 0.265 1.00 0.00 C ATOM 475 O SER A 55 -14.536 9.487 0.885 1.00 0.00 O ATOM 476 CB SER A 55 -16.709 8.948 -0.820 1.00 0.00 C ATOM 477 OG SER A 55 -17.550 8.725 -1.943 1.00 0.00 O ATOM 0 H SER A 55 -15.209 6.443 -2.091 1.00 0.00 H new ATOM 0 HA SER A 55 -14.841 8.607 -1.828 1.00 0.00 H new ATOM 0 HB2 SER A 55 -17.214 8.617 0.088 1.00 0.00 H new ATOM 0 HB3 SER A 55 -16.521 10.016 -0.709 1.00 0.00 H new ATOM 0 HG SER A 55 -18.393 9.209 -1.821 1.00 0.00 H new ATOM 483 N ARG A 56 -13.700 7.421 0.614 1.00 0.00 N ATOM 484 CA ARG A 56 -12.788 7.524 1.751 1.00 0.00 C ATOM 485 C ARG A 56 -11.675 6.495 1.617 1.00 0.00 C ATOM 486 O ARG A 56 -11.873 5.436 1.025 1.00 0.00 O ATOM 487 CB ARG A 56 -13.547 7.334 3.077 1.00 0.00 C ATOM 488 CG ARG A 56 -14.159 5.951 3.270 1.00 0.00 C ATOM 489 CD ARG A 56 -13.314 5.073 4.187 1.00 0.00 C ATOM 490 NE ARG A 56 -13.248 5.600 5.553 1.00 0.00 N ATOM 491 CZ ARG A 56 -12.949 4.865 6.629 1.00 0.00 C ATOM 492 NH1 ARG A 56 -12.657 3.574 6.502 1.00 0.00 N ATOM 493 NH2 ARG A 56 -12.934 5.428 7.832 1.00 0.00 N ATOM 0 H ARG A 56 -13.664 6.526 0.126 1.00 0.00 H new ATOM 0 HA ARG A 56 -12.346 8.520 1.757 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -12.863 7.532 3.902 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -14.341 8.079 3.135 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -15.160 6.053 3.688 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -14.267 5.464 2.301 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -13.731 4.066 4.208 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.305 4.992 3.782 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.443 6.592 5.692 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.660 3.139 5.580 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.430 3.019 7.327 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.150 6.420 7.934 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.706 4.869 8.654 1.00 0.00 H new ATOM 507 N TYR A 57 -10.502 6.822 2.146 1.00 0.00 N ATOM 508 CA TYR A 57 -9.367 5.905 2.119 1.00 0.00 C ATOM 509 C TYR A 57 -9.556 4.782 3.127 1.00 0.00 C ATOM 510 O TYR A 57 -10.147 4.980 4.188 1.00 0.00 O ATOM 511 CB TYR A 57 -8.061 6.636 2.427 1.00 0.00 C ATOM 512 CG TYR A 57 -7.459 7.363 1.251 1.00 0.00 C ATOM 513 CD1 TYR A 57 -6.949 6.667 0.161 1.00 0.00 C ATOM 514 CD2 TYR A 57 -7.379 8.744 1.241 1.00 0.00 C ATOM 515 CE1 TYR A 57 -6.375 7.334 -0.905 1.00 0.00 C ATOM 516 CE2 TYR A 57 -6.810 9.418 0.180 1.00 0.00 C ATOM 517 CZ TYR A 57 -6.309 8.710 -0.890 1.00 0.00 C ATOM 518 OH TYR A 57 -5.738 9.381 -1.945 1.00 0.00 O ATOM 0 H TYR A 57 -10.311 7.716 2.599 1.00 0.00 H new ATOM 0 HA TYR A 57 -9.313 5.486 1.114 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.241 7.353 3.228 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -7.335 5.914 2.802 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -7.002 5.588 0.147 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.769 9.304 2.078 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -5.981 6.780 -1.744 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.758 10.497 0.188 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.773 10.346 -1.777 1.00 0.00 H new ATOM 528 N PRO A 58 -9.051 3.590 2.797 1.00 0.00 N ATOM 529 CA PRO A 58 -9.126 2.429 3.681 1.00 0.00 C ATOM 530 C PRO A 58 -8.250 2.587 4.919 1.00 0.00 C ATOM 531 O PRO A 58 -7.148 3.133 4.849 1.00 0.00 O ATOM 532 CB PRO A 58 -8.602 1.285 2.813 1.00 0.00 C ATOM 533 CG PRO A 58 -7.748 1.937 1.785 1.00 0.00 C ATOM 534 CD PRO A 58 -8.361 3.282 1.532 1.00 0.00 C ATOM 0 HA PRO A 58 -10.137 2.273 4.058 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.030 0.571 3.405 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.421 0.733 2.352 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.721 2.036 2.136 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.716 1.344 0.871 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.604 4.030 1.295 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.056 3.255 0.692 1.00 0.00 H new ATOM 542 N THR A 59 -8.751 2.108 6.048 1.00 0.00 N ATOM 543 CA THR A 59 -8.003 2.133 7.295 1.00 0.00 C ATOM 544 C THR A 59 -6.909 1.069 7.292 1.00 0.00 C ATOM 545 O THR A 59 -6.797 0.306 6.331 1.00 0.00 O ATOM 546 CB THR A 59 -8.930 1.911 8.500 1.00 0.00 C ATOM 547 OG1 THR A 59 -9.764 0.768 8.267 1.00 0.00 O ATOM 548 CG2 THR A 59 -9.792 3.138 8.752 1.00 0.00 C ATOM 0 H THR A 59 -9.680 1.694 6.125 1.00 0.00 H new ATOM 0 HA THR A 59 -7.544 3.118 7.381 1.00 0.00 H new ATOM 0 HB THR A 59 -8.314 1.737 9.382 1.00 0.00 H new ATOM 0 HG1 THR A 59 -10.352 0.629 9.039 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.440 2.957 9.610 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.152 3.997 8.955 1.00 0.00 H new ATOM 0 HG23 THR A 59 -10.403 3.341 7.872 1.00 0.00 H new ATOM 556 N THR A 60 -6.112 1.015 8.357 1.00 0.00 N ATOM 557 CA THR A 60 -4.983 0.087 8.432 1.00 0.00 C ATOM 558 C THR A 60 -5.406 -1.355 8.110 1.00 0.00 C ATOM 559 O THR A 60 -4.673 -2.092 7.448 1.00 0.00 O ATOM 560 CB THR A 60 -4.299 0.148 9.823 1.00 0.00 C ATOM 561 OG1 THR A 60 -3.112 -0.654 9.835 1.00 0.00 O ATOM 562 CG2 THR A 60 -5.237 -0.314 10.931 1.00 0.00 C ATOM 0 H THR A 60 -6.227 1.604 9.182 1.00 0.00 H new ATOM 0 HA THR A 60 -4.263 0.402 7.676 1.00 0.00 H new ATOM 0 HB THR A 60 -4.036 1.189 10.009 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.437 -0.248 9.252 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.723 -0.257 11.890 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.118 0.328 10.953 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.543 -1.343 10.743 1.00 0.00 H new ATOM 570 N GLU A 61 -6.600 -1.736 8.548 1.00 0.00 N ATOM 571 CA GLU A 61 -7.112 -3.077 8.307 1.00 0.00 C ATOM 572 C GLU A 61 -7.620 -3.227 6.874 1.00 0.00 C ATOM 573 O GLU A 61 -7.397 -4.249 6.224 1.00 0.00 O ATOM 574 CB GLU A 61 -8.236 -3.394 9.293 1.00 0.00 C ATOM 575 CG GLU A 61 -7.800 -3.341 10.747 1.00 0.00 C ATOM 576 CD GLU A 61 -6.671 -4.305 11.048 1.00 0.00 C ATOM 577 OE1 GLU A 61 -6.948 -5.503 11.258 1.00 0.00 O ATOM 578 OE2 GLU A 61 -5.501 -3.870 11.078 1.00 0.00 O ATOM 0 H GLU A 61 -7.232 -1.132 9.073 1.00 0.00 H new ATOM 0 HA GLU A 61 -6.293 -3.781 8.453 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.052 -2.688 9.141 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.629 -4.387 9.076 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.483 -2.327 10.991 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.651 -3.572 11.387 1.00 0.00 H new ATOM 585 N GLN A 62 -8.305 -2.199 6.390 1.00 0.00 N ATOM 586 CA GLN A 62 -8.936 -2.238 5.075 1.00 0.00 C ATOM 587 C GLN A 62 -7.917 -2.157 3.941 1.00 0.00 C ATOM 588 O GLN A 62 -8.078 -2.815 2.918 1.00 0.00 O ATOM 589 CB GLN A 62 -9.935 -1.093 4.933 1.00 0.00 C ATOM 590 CG GLN A 62 -11.119 -1.175 5.877 1.00 0.00 C ATOM 591 CD GLN A 62 -12.002 0.051 5.786 1.00 0.00 C ATOM 592 OE1 GLN A 62 -11.524 1.154 5.515 1.00 0.00 O ATOM 593 NE2 GLN A 62 -13.294 -0.129 5.998 1.00 0.00 N ATOM 0 H GLN A 62 -8.439 -1.321 6.892 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.450 -3.196 4.999 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.415 -0.150 5.103 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.304 -1.074 3.908 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.707 -2.063 5.645 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.760 -1.288 6.900 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -13.650 -1.059 6.220 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -13.935 0.662 5.940 1.00 0.00 H new ATOM 602 N GLY A 63 -6.876 -1.350 4.134 1.00 0.00 N ATOM 603 CA GLY A 63 -5.937 -1.053 3.059 1.00 0.00 C ATOM 604 C GLY A 63 -5.297 -2.284 2.449 1.00 0.00 C ATOM 605 O GLY A 63 -5.282 -2.439 1.228 1.00 0.00 O ATOM 0 H GLY A 63 -6.663 -0.893 5.021 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.457 -0.500 2.277 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.153 -0.400 3.444 1.00 0.00 H new ATOM 609 N LEU A 64 -4.782 -3.160 3.294 1.00 0.00 N ATOM 610 CA LEU A 64 -4.113 -4.370 2.832 1.00 0.00 C ATOM 611 C LEU A 64 -5.098 -5.360 2.224 1.00 0.00 C ATOM 612 O LEU A 64 -4.811 -5.996 1.211 1.00 0.00 O ATOM 613 CB LEU A 64 -3.367 -5.030 3.989 1.00 0.00 C ATOM 614 CG LEU A 64 -1.891 -4.653 4.133 1.00 0.00 C ATOM 615 CD1 LEU A 64 -1.700 -3.144 4.190 1.00 0.00 C ATOM 616 CD2 LEU A 64 -1.320 -5.306 5.377 1.00 0.00 C ATOM 0 H LEU A 64 -4.813 -3.058 4.308 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.404 -4.080 2.056 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.879 -4.777 4.917 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.436 -6.111 3.871 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.358 -5.015 3.254 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.639 -2.915 4.292 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.081 -2.694 3.273 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.242 -2.741 5.045 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.269 -5.037 5.479 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.869 -4.962 6.253 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.411 -6.389 5.294 1.00 0.00 H new ATOM 628 N GLN A 65 -6.259 -5.484 2.845 1.00 0.00 N ATOM 629 CA GLN A 65 -7.258 -6.450 2.409 1.00 0.00 C ATOM 630 C GLN A 65 -7.933 -6.034 1.106 1.00 0.00 C ATOM 631 O GLN A 65 -8.396 -6.881 0.353 1.00 0.00 O ATOM 632 CB GLN A 65 -8.311 -6.660 3.498 1.00 0.00 C ATOM 633 CG GLN A 65 -7.804 -7.457 4.688 1.00 0.00 C ATOM 634 CD GLN A 65 -7.397 -8.871 4.317 1.00 0.00 C ATOM 635 OE1 GLN A 65 -6.244 -9.130 3.976 1.00 0.00 O ATOM 636 NE2 GLN A 65 -8.344 -9.793 4.370 1.00 0.00 N ATOM 0 H GLN A 65 -6.535 -4.928 3.654 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.735 -7.388 2.224 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.662 -5.688 3.845 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.170 -7.174 3.067 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.950 -6.941 5.128 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.581 -7.496 5.451 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.289 -9.538 4.658 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -8.130 -10.759 4.123 1.00 0.00 H new ATOM 645 N ALA A 66 -7.931 -4.740 0.813 1.00 0.00 N ATOM 646 CA ALA A 66 -8.735 -4.193 -0.280 1.00 0.00 C ATOM 647 C ALA A 66 -8.408 -4.823 -1.635 1.00 0.00 C ATOM 648 O ALA A 66 -9.259 -4.867 -2.524 1.00 0.00 O ATOM 649 CB ALA A 66 -8.561 -2.682 -0.352 1.00 0.00 C ATOM 0 H ALA A 66 -7.381 -4.045 1.317 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.774 -4.438 -0.060 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.164 -2.285 -1.169 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.883 -2.233 0.588 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.512 -2.445 -0.527 1.00 0.00 H new ATOM 655 N LEU A 67 -7.189 -5.317 -1.797 1.00 0.00 N ATOM 656 CA LEU A 67 -6.793 -5.913 -3.064 1.00 0.00 C ATOM 657 C LEU A 67 -6.748 -7.441 -3.005 1.00 0.00 C ATOM 658 O LEU A 67 -6.469 -8.086 -4.012 1.00 0.00 O ATOM 659 CB LEU A 67 -5.458 -5.347 -3.586 1.00 0.00 C ATOM 660 CG LEU A 67 -4.214 -5.519 -2.702 1.00 0.00 C ATOM 661 CD1 LEU A 67 -2.960 -5.308 -3.536 1.00 0.00 C ATOM 662 CD2 LEU A 67 -4.218 -4.537 -1.540 1.00 0.00 C ATOM 0 H LEU A 67 -6.466 -5.318 -1.078 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.571 -5.636 -3.776 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.251 -5.812 -4.550 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.594 -4.281 -3.769 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.227 -6.530 -2.295 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.079 -5.431 -2.906 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.933 -6.039 -4.344 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.968 -4.303 -3.957 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.324 -4.686 -0.935 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.230 -3.517 -1.925 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.103 -4.703 -0.926 1.00 0.00 H new ATOM 674 N VAL A 68 -7.022 -8.024 -1.844 1.00 0.00 N ATOM 675 CA VAL A 68 -6.964 -9.481 -1.708 1.00 0.00 C ATOM 676 C VAL A 68 -8.301 -10.072 -1.230 1.00 0.00 C ATOM 677 O VAL A 68 -8.724 -11.133 -1.697 1.00 0.00 O ATOM 678 CB VAL A 68 -5.814 -9.924 -0.762 1.00 0.00 C ATOM 679 CG1 VAL A 68 -5.969 -9.316 0.621 1.00 0.00 C ATOM 680 CG2 VAL A 68 -5.737 -11.441 -0.676 1.00 0.00 C ATOM 0 H VAL A 68 -7.283 -7.524 -0.994 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.761 -9.873 -2.704 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.879 -9.556 -1.185 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.148 -9.646 1.258 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.954 -8.229 0.544 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.916 -9.636 1.055 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.924 -11.727 -0.008 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.678 -11.832 -0.290 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.553 -11.853 -1.668 1.00 0.00 H new ATOM 690 N SER A 69 -8.971 -9.383 -0.316 1.00 0.00 N ATOM 691 CA SER A 69 -10.210 -9.879 0.262 1.00 0.00 C ATOM 692 C SER A 69 -11.040 -8.715 0.797 1.00 0.00 C ATOM 693 O SER A 69 -10.531 -7.877 1.537 1.00 0.00 O ATOM 694 CB SER A 69 -9.895 -10.868 1.391 1.00 0.00 C ATOM 695 OG SER A 69 -11.066 -11.523 1.852 1.00 0.00 O ATOM 0 H SER A 69 -8.674 -8.475 0.042 1.00 0.00 H new ATOM 0 HA SER A 69 -10.785 -10.392 -0.509 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.178 -11.609 1.037 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.424 -10.338 2.219 1.00 0.00 H new ATOM 0 HG SER A 69 -10.831 -12.147 2.570 1.00 0.00 H new ATOM 701 N ALA A 70 -12.316 -8.676 0.427 1.00 0.00 N ATOM 702 CA ALA A 70 -13.197 -7.578 0.810 1.00 0.00 C ATOM 703 C ALA A 70 -13.210 -7.375 2.323 1.00 0.00 C ATOM 704 O ALA A 70 -13.529 -8.298 3.075 1.00 0.00 O ATOM 705 CB ALA A 70 -14.606 -7.839 0.313 1.00 0.00 C ATOM 0 H ALA A 70 -12.765 -9.395 -0.140 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.813 -6.668 0.349 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -15.254 -7.013 0.605 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -14.598 -7.927 -0.773 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -14.980 -8.765 0.750 1.00 0.00 H new ATOM 711 N PRO A 71 -12.851 -6.169 2.785 1.00 0.00 N ATOM 712 CA PRO A 71 -12.859 -5.830 4.209 1.00 0.00 C ATOM 713 C PRO A 71 -14.261 -5.873 4.808 1.00 0.00 C ATOM 714 O PRO A 71 -15.229 -5.408 4.196 1.00 0.00 O ATOM 715 CB PRO A 71 -12.313 -4.396 4.253 1.00 0.00 C ATOM 716 CG PRO A 71 -11.639 -4.190 2.940 1.00 0.00 C ATOM 717 CD PRO A 71 -12.382 -5.045 1.958 1.00 0.00 C ATOM 0 HA PRO A 71 -12.271 -6.541 4.790 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -13.116 -3.674 4.400 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -11.613 -4.267 5.079 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.669 -3.141 2.646 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.589 -4.477 2.991 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -13.212 -4.506 1.501 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -11.736 -5.382 1.147 1.00 0.00 H new ATOM 725 N SER A 72 -14.362 -6.436 6.002 1.00 0.00 N ATOM 726 CA SER A 72 -15.622 -6.485 6.722 1.00 0.00 C ATOM 727 C SER A 72 -15.801 -5.219 7.550 1.00 0.00 C ATOM 728 O SER A 72 -16.915 -4.869 7.946 1.00 0.00 O ATOM 729 CB SER A 72 -15.665 -7.731 7.610 1.00 0.00 C ATOM 730 OG SER A 72 -14.452 -7.884 8.330 1.00 0.00 O ATOM 0 H SER A 72 -13.580 -6.868 6.494 1.00 0.00 H new ATOM 0 HA SER A 72 -16.443 -6.543 6.008 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.499 -7.656 8.308 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.841 -8.614 6.996 1.00 0.00 H new ATOM 0 HG SER A 72 -14.504 -8.686 8.891 1.00 0.00 H new ATOM 736 N ALA A 73 -14.687 -4.537 7.799 1.00 0.00 N ATOM 737 CA ALA A 73 -14.693 -3.273 8.518 1.00 0.00 C ATOM 738 C ALA A 73 -15.449 -2.218 7.727 1.00 0.00 C ATOM 739 O ALA A 73 -15.295 -2.122 6.509 1.00 0.00 O ATOM 740 CB ALA A 73 -13.266 -2.812 8.771 1.00 0.00 C ATOM 0 H ALA A 73 -13.759 -4.846 7.508 1.00 0.00 H new ATOM 0 HA ALA A 73 -15.195 -3.417 9.475 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.280 -1.865 9.310 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.742 -3.560 9.366 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.752 -2.680 7.819 1.00 0.00 H new ATOM 746 N GLU A 74 -16.264 -1.438 8.423 1.00 0.00 N ATOM 747 CA GLU A 74 -17.059 -0.391 7.791 1.00 0.00 C ATOM 748 C GLU A 74 -16.169 0.735 7.266 1.00 0.00 C ATOM 749 O GLU A 74 -15.211 1.138 7.929 1.00 0.00 O ATOM 750 CB GLU A 74 -18.073 0.177 8.786 1.00 0.00 C ATOM 751 CG GLU A 74 -17.447 0.637 10.094 1.00 0.00 C ATOM 752 CD GLU A 74 -18.386 1.478 10.929 1.00 0.00 C ATOM 753 OE1 GLU A 74 -19.205 0.905 11.678 1.00 0.00 O ATOM 754 OE2 GLU A 74 -18.303 2.719 10.845 1.00 0.00 O ATOM 0 H GLU A 74 -16.393 -1.510 9.432 1.00 0.00 H new ATOM 0 HA GLU A 74 -17.588 -0.835 6.948 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -18.591 1.018 8.325 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -18.825 -0.582 9.000 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -17.138 -0.235 10.670 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -16.546 1.212 9.878 1.00 0.00 H new ATOM 761 N PRO A 75 -16.456 1.255 6.062 1.00 0.00 N ATOM 762 CA PRO A 75 -17.528 0.754 5.191 1.00 0.00 C ATOM 763 C PRO A 75 -17.172 -0.583 4.542 1.00 0.00 C ATOM 764 O PRO A 75 -16.058 -0.771 4.047 1.00 0.00 O ATOM 765 CB PRO A 75 -17.665 1.843 4.113 1.00 0.00 C ATOM 766 CG PRO A 75 -16.845 2.994 4.593 1.00 0.00 C ATOM 767 CD PRO A 75 -15.776 2.403 5.461 1.00 0.00 C ATOM 0 HA PRO A 75 -18.445 0.571 5.750 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -17.309 1.485 3.147 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -18.707 2.133 3.980 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -16.411 3.540 3.756 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -17.456 3.702 5.153 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -14.904 2.100 4.882 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -15.429 3.109 6.215 1.00 0.00 H new ATOM 775 N HIS A 76 -18.121 -1.509 4.552 1.00 0.00 N ATOM 776 CA HIS A 76 -17.916 -2.823 3.958 1.00 0.00 C ATOM 777 C HIS A 76 -17.872 -2.700 2.438 1.00 0.00 C ATOM 778 O HIS A 76 -18.825 -2.221 1.823 1.00 0.00 O ATOM 779 CB HIS A 76 -19.038 -3.777 4.384 1.00 0.00 C ATOM 780 CG HIS A 76 -18.802 -5.216 4.024 1.00 0.00 C ATOM 781 ND1 HIS A 76 -18.589 -6.197 4.964 1.00 0.00 N ATOM 782 CD2 HIS A 76 -18.764 -5.840 2.821 1.00 0.00 C ATOM 783 CE1 HIS A 76 -18.425 -7.359 4.359 1.00 0.00 C ATOM 784 NE2 HIS A 76 -18.529 -7.170 3.058 1.00 0.00 N ATOM 0 H HIS A 76 -19.043 -1.374 4.966 1.00 0.00 H new ATOM 0 HA HIS A 76 -16.967 -3.229 4.308 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -19.171 -3.703 5.463 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -19.971 -3.449 3.925 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -18.895 -5.376 1.855 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -18.237 -8.304 4.847 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -18.448 -7.895 2.345 1.00 0.00 H new ATOM 793 N ALA A 77 -16.766 -3.130 1.847 1.00 0.00 N ATOM 794 CA ALA A 77 -16.572 -3.024 0.407 1.00 0.00 C ATOM 795 C ALA A 77 -17.618 -3.822 -0.364 1.00 0.00 C ATOM 796 O ALA A 77 -17.791 -5.021 -0.141 1.00 0.00 O ATOM 797 CB ALA A 77 -15.173 -3.486 0.032 1.00 0.00 C ATOM 0 H ALA A 77 -15.985 -3.558 2.345 1.00 0.00 H new ATOM 0 HA ALA A 77 -16.690 -1.976 0.132 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -15.039 -3.402 -1.047 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -14.436 -2.863 0.538 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -15.039 -4.525 0.335 1.00 0.00 H new ATOM 803 N ARG A 78 -18.321 -3.140 -1.255 1.00 0.00 N ATOM 804 CA ARG A 78 -19.306 -3.775 -2.120 1.00 0.00 C ATOM 805 C ARG A 78 -18.767 -3.840 -3.530 1.00 0.00 C ATOM 806 O ARG A 78 -17.755 -3.206 -3.830 1.00 0.00 O ATOM 807 CB ARG A 78 -20.634 -3.011 -2.125 1.00 0.00 C ATOM 808 CG ARG A 78 -21.170 -2.667 -0.747 1.00 0.00 C ATOM 809 CD ARG A 78 -21.351 -3.900 0.127 1.00 0.00 C ATOM 810 NE ARG A 78 -22.215 -4.903 -0.497 1.00 0.00 N ATOM 811 CZ ARG A 78 -23.235 -5.506 0.118 1.00 0.00 C ATOM 812 NH1 ARG A 78 -23.565 -5.179 1.364 1.00 0.00 N ATOM 813 NH2 ARG A 78 -23.933 -6.437 -0.520 1.00 0.00 N ATOM 0 H ARG A 78 -18.226 -2.135 -1.399 1.00 0.00 H new ATOM 0 HA ARG A 78 -19.493 -4.777 -1.735 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -20.505 -2.088 -2.691 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -21.379 -3.607 -2.652 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -20.487 -1.974 -0.256 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -22.126 -2.153 -0.849 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -20.376 -4.342 0.334 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -21.776 -3.603 1.086 1.00 0.00 H new ATOM 0 HE ARG A 78 -22.025 -5.158 -1.466 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -23.037 -4.461 1.860 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -24.346 -5.646 1.824 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -23.690 -6.690 -1.478 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -24.713 -6.899 -0.053 1.00 0.00 H new ATOM 827 N ASN A 79 -19.428 -4.642 -4.371 1.00 0.00 N ATOM 828 CA ASN A 79 -19.114 -4.749 -5.801 1.00 0.00 C ATOM 829 C ASN A 79 -17.617 -4.926 -6.042 1.00 0.00 C ATOM 830 O ASN A 79 -17.045 -4.373 -6.983 1.00 0.00 O ATOM 831 CB ASN A 79 -19.673 -3.554 -6.602 1.00 0.00 C ATOM 832 CG ASN A 79 -19.306 -2.188 -6.050 1.00 0.00 C ATOM 833 OD1 ASN A 79 -20.110 -1.542 -5.378 1.00 0.00 O ATOM 834 ND2 ASN A 79 -18.089 -1.761 -6.297 1.00 0.00 N ATOM 0 H ASN A 79 -20.201 -5.239 -4.078 1.00 0.00 H new ATOM 0 HA ASN A 79 -19.611 -5.648 -6.166 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -19.314 -3.623 -7.629 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -20.759 -3.636 -6.638 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -17.779 -0.863 -5.927 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -17.454 -2.328 -6.859 1.00 0.00 H new ATOM 841 N TYR A 80 -17.003 -5.729 -5.192 1.00 0.00 N ATOM 842 CA TYR A 80 -15.579 -6.004 -5.267 1.00 0.00 C ATOM 843 C TYR A 80 -15.329 -7.210 -6.161 1.00 0.00 C ATOM 844 O TYR A 80 -16.184 -8.091 -6.273 1.00 0.00 O ATOM 845 CB TYR A 80 -15.029 -6.271 -3.859 1.00 0.00 C ATOM 846 CG TYR A 80 -15.689 -7.446 -3.162 1.00 0.00 C ATOM 847 CD1 TYR A 80 -16.876 -7.285 -2.459 1.00 0.00 C ATOM 848 CD2 TYR A 80 -15.124 -8.715 -3.213 1.00 0.00 C ATOM 849 CE1 TYR A 80 -17.481 -8.354 -1.829 1.00 0.00 C ATOM 850 CE2 TYR A 80 -15.725 -9.789 -2.586 1.00 0.00 C ATOM 851 CZ TYR A 80 -16.902 -9.603 -1.896 1.00 0.00 C ATOM 852 OH TYR A 80 -17.502 -10.670 -1.267 1.00 0.00 O ATOM 0 H TYR A 80 -17.479 -6.210 -4.428 1.00 0.00 H new ATOM 0 HA TYR A 80 -15.069 -5.139 -5.692 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -13.957 -6.454 -3.926 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -15.162 -5.377 -3.250 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -17.333 -6.308 -2.404 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -14.200 -8.864 -3.752 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -18.404 -8.212 -1.286 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -15.274 -10.769 -2.637 1.00 0.00 H new ATOM 0 HH TYR A 80 -16.967 -11.478 -1.412 1.00 0.00 H new ATOM 862 N PRO A 81 -14.172 -7.258 -6.831 1.00 0.00 N ATOM 863 CA PRO A 81 -13.792 -8.415 -7.640 1.00 0.00 C ATOM 864 C PRO A 81 -13.450 -9.615 -6.764 1.00 0.00 C ATOM 865 O PRO A 81 -12.776 -9.474 -5.740 1.00 0.00 O ATOM 866 CB PRO A 81 -12.555 -7.924 -8.396 1.00 0.00 C ATOM 867 CG PRO A 81 -11.982 -6.850 -7.538 1.00 0.00 C ATOM 868 CD PRO A 81 -13.151 -6.194 -6.861 1.00 0.00 C ATOM 0 HA PRO A 81 -14.593 -8.752 -8.298 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -11.839 -8.732 -8.549 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -12.820 -7.542 -9.382 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -11.289 -7.264 -6.806 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.423 -6.130 -8.135 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -12.895 -5.855 -5.857 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -13.497 -5.321 -7.414 1.00 0.00 H new ATOM 876 N GLU A 82 -13.912 -10.789 -7.167 1.00 0.00 N ATOM 877 CA GLU A 82 -13.666 -12.005 -6.409 1.00 0.00 C ATOM 878 C GLU A 82 -12.184 -12.351 -6.427 1.00 0.00 C ATOM 879 O GLU A 82 -11.573 -12.470 -7.494 1.00 0.00 O ATOM 880 CB GLU A 82 -14.506 -13.159 -6.956 1.00 0.00 C ATOM 881 CG GLU A 82 -16.001 -12.913 -6.839 1.00 0.00 C ATOM 882 CD GLU A 82 -16.830 -14.088 -7.307 1.00 0.00 C ATOM 883 OE1 GLU A 82 -17.376 -14.026 -8.428 1.00 0.00 O ATOM 884 OE2 GLU A 82 -16.946 -15.075 -6.550 1.00 0.00 O ATOM 0 H GLU A 82 -14.460 -10.925 -8.016 1.00 0.00 H new ATOM 0 HA GLU A 82 -13.962 -11.835 -5.374 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -14.251 -13.322 -8.003 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -14.251 -14.073 -6.420 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -16.247 -12.692 -5.800 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -16.266 -12.032 -7.424 1.00 0.00 H new ATOM 891 N GLY A 83 -11.609 -12.488 -5.243 1.00 0.00 N ATOM 892 CA GLY A 83 -10.193 -12.760 -5.126 1.00 0.00 C ATOM 893 C GLY A 83 -9.374 -11.487 -5.172 1.00 0.00 C ATOM 894 O GLY A 83 -8.143 -11.532 -5.186 1.00 0.00 O ATOM 0 H GLY A 83 -12.103 -12.415 -4.354 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.999 -13.284 -4.190 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -9.882 -13.423 -5.933 1.00 0.00 H new ATOM 898 N GLY A 84 -10.064 -10.352 -5.205 1.00 0.00 N ATOM 899 CA GLY A 84 -9.396 -9.069 -5.245 1.00 0.00 C ATOM 900 C GLY A 84 -8.655 -8.844 -6.548 1.00 0.00 C ATOM 901 O GLY A 84 -9.124 -9.241 -7.618 1.00 0.00 O ATOM 0 H GLY A 84 -11.083 -10.301 -5.205 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.130 -8.276 -5.106 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.693 -9.002 -4.414 1.00 0.00 H new ATOM 905 N TYR A 85 -7.497 -8.210 -6.455 1.00 0.00 N ATOM 906 CA TYR A 85 -6.654 -7.954 -7.614 1.00 0.00 C ATOM 907 C TYR A 85 -5.368 -8.765 -7.500 1.00 0.00 C ATOM 908 O TYR A 85 -4.616 -8.907 -8.461 1.00 0.00 O ATOM 909 CB TYR A 85 -6.315 -6.464 -7.719 1.00 0.00 C ATOM 910 CG TYR A 85 -7.524 -5.556 -7.793 1.00 0.00 C ATOM 911 CD1 TYR A 85 -8.259 -5.436 -8.965 1.00 0.00 C ATOM 912 CD2 TYR A 85 -7.918 -4.807 -6.691 1.00 0.00 C ATOM 913 CE1 TYR A 85 -9.358 -4.600 -9.035 1.00 0.00 C ATOM 914 CE2 TYR A 85 -9.016 -3.970 -6.753 1.00 0.00 C ATOM 915 CZ TYR A 85 -9.730 -3.869 -7.928 1.00 0.00 C ATOM 916 OH TYR A 85 -10.822 -3.034 -7.994 1.00 0.00 O ATOM 0 H TYR A 85 -7.115 -7.859 -5.577 1.00 0.00 H new ATOM 0 HA TYR A 85 -7.197 -8.250 -8.511 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -5.712 -6.178 -6.857 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -5.700 -6.304 -8.605 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -7.968 -6.005 -9.836 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -7.357 -4.880 -5.771 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -9.922 -4.520 -9.953 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -9.313 -3.398 -5.886 1.00 0.00 H new ATOM 0 HH TYR A 85 -10.553 -2.173 -8.377 1.00 0.00 H new ATOM 926 N ILE A 86 -5.121 -9.279 -6.304 1.00 0.00 N ATOM 927 CA ILE A 86 -3.956 -10.103 -6.042 1.00 0.00 C ATOM 928 C ILE A 86 -4.374 -11.298 -5.189 1.00 0.00 C ATOM 929 O ILE A 86 -5.226 -11.181 -4.308 1.00 0.00 O ATOM 930 CB ILE A 86 -2.839 -9.291 -5.336 1.00 0.00 C ATOM 931 CG1 ILE A 86 -1.555 -10.119 -5.223 1.00 0.00 C ATOM 932 CG2 ILE A 86 -3.295 -8.823 -3.962 1.00 0.00 C ATOM 933 CD1 ILE A 86 -0.389 -9.359 -4.625 1.00 0.00 C ATOM 0 H ILE A 86 -5.722 -9.136 -5.492 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.550 -10.454 -6.991 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.627 -8.411 -5.943 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.754 -11.000 -4.613 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.275 -10.475 -6.214 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.495 -8.256 -3.487 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.176 -8.189 -4.067 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.542 -9.688 -3.346 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.484 -10.010 -4.577 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.162 -8.493 -5.247 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.649 -9.026 -3.620 1.00 0.00 H new ATOM 945 N ARG A 87 -3.789 -12.452 -5.484 1.00 0.00 N ATOM 946 CA ARG A 87 -4.202 -13.709 -4.872 1.00 0.00 C ATOM 947 C ARG A 87 -3.852 -13.761 -3.388 1.00 0.00 C ATOM 948 O ARG A 87 -4.550 -14.397 -2.600 1.00 0.00 O ATOM 949 CB ARG A 87 -3.552 -14.884 -5.605 1.00 0.00 C ATOM 950 CG ARG A 87 -3.880 -16.240 -5.001 1.00 0.00 C ATOM 951 CD ARG A 87 -3.249 -17.371 -5.792 1.00 0.00 C ATOM 952 NE ARG A 87 -1.796 -17.233 -5.899 1.00 0.00 N ATOM 953 CZ ARG A 87 -1.005 -18.134 -6.479 1.00 0.00 C ATOM 954 NH1 ARG A 87 -1.519 -19.256 -6.978 1.00 0.00 N ATOM 955 NH2 ARG A 87 0.301 -17.918 -6.551 1.00 0.00 N ATOM 0 H ARG A 87 -3.021 -12.543 -6.149 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.286 -13.779 -4.957 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.873 -14.873 -6.647 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.471 -14.748 -5.604 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.527 -16.275 -3.970 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.961 -16.374 -4.972 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.487 -18.322 -5.315 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.683 -17.399 -6.791 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.363 -16.397 -5.506 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.522 -19.428 -6.917 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -0.909 -19.943 -7.421 1.00 0.00 H new ATOM 0 HH21 ARG A 87 0.699 -17.063 -6.163 1.00 0.00 H new ATOM 0 HH22 ARG A 87 0.908 -18.607 -6.995 1.00 0.00 H new ATOM 969 N ARG A 88 -2.774 -13.097 -3.014 1.00 0.00 N ATOM 970 CA ARG A 88 -2.307 -13.112 -1.637 1.00 0.00 C ATOM 971 C ARG A 88 -2.028 -11.700 -1.161 1.00 0.00 C ATOM 972 O ARG A 88 -1.754 -10.816 -1.969 1.00 0.00 O ATOM 973 CB ARG A 88 -1.035 -13.949 -1.521 1.00 0.00 C ATOM 974 CG ARG A 88 -1.249 -15.432 -1.759 1.00 0.00 C ATOM 975 CD ARG A 88 0.064 -16.190 -1.691 1.00 0.00 C ATOM 976 NE ARG A 88 0.749 -15.980 -0.415 1.00 0.00 N ATOM 977 CZ ARG A 88 2.059 -15.770 -0.298 1.00 0.00 C ATOM 978 NH1 ARG A 88 2.833 -15.740 -1.376 1.00 0.00 N ATOM 979 NH2 ARG A 88 2.599 -15.589 0.900 1.00 0.00 N ATOM 0 H ARG A 88 -2.202 -12.538 -3.647 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.085 -13.552 -1.014 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.302 -13.578 -2.237 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -0.609 -13.809 -0.528 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.940 -15.827 -1.014 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -1.711 -15.584 -2.735 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -0.123 -17.255 -1.832 1.00 0.00 H new ATOM 0 HD3 ARG A 88 0.711 -15.870 -2.508 1.00 0.00 H new ATOM 0 HE ARG A 88 0.189 -15.995 0.437 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.425 -15.878 -2.301 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.836 -15.579 -1.280 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.011 -15.611 1.733 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.602 -15.428 0.988 1.00 0.00 H new ATOM 993 N LEU A 89 -2.111 -11.491 0.149 1.00 0.00 N ATOM 994 CA LEU A 89 -1.773 -10.203 0.733 1.00 0.00 C ATOM 995 C LEU A 89 -0.304 -9.917 0.453 1.00 0.00 C ATOM 996 O LEU A 89 0.571 -10.683 0.869 1.00 0.00 O ATOM 997 CB LEU A 89 -2.049 -10.208 2.245 1.00 0.00 C ATOM 998 CG LEU A 89 -2.323 -8.836 2.877 1.00 0.00 C ATOM 999 CD1 LEU A 89 -2.828 -9.008 4.299 1.00 0.00 C ATOM 1000 CD2 LEU A 89 -1.075 -7.968 2.871 1.00 0.00 C ATOM 0 H LEU A 89 -2.409 -12.197 0.823 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.389 -9.421 0.289 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.906 -10.853 2.437 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.193 -10.656 2.750 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.087 -8.337 2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.019 -8.029 4.738 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.751 -9.588 4.290 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.077 -9.531 4.891 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.301 -7.003 3.325 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.286 -8.461 3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.742 -7.817 1.844 1.00 0.00 H new ATOM 1012 N PRO A 90 -0.024 -8.825 -0.276 1.00 0.00 N ATOM 1013 CA PRO A 90 1.321 -8.495 -0.746 1.00 0.00 C ATOM 1014 C PRO A 90 2.366 -8.524 0.359 1.00 0.00 C ATOM 1015 O PRO A 90 2.193 -7.929 1.427 1.00 0.00 O ATOM 1016 CB PRO A 90 1.185 -7.076 -1.318 1.00 0.00 C ATOM 1017 CG PRO A 90 -0.155 -6.594 -0.876 1.00 0.00 C ATOM 1018 CD PRO A 90 -1.003 -7.816 -0.703 1.00 0.00 C ATOM 0 HA PRO A 90 1.668 -9.228 -1.475 1.00 0.00 H new ATOM 0 HB2 PRO A 90 1.978 -6.426 -0.947 1.00 0.00 H new ATOM 0 HB3 PRO A 90 1.261 -7.082 -2.405 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -0.080 -6.037 0.058 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -0.589 -5.920 -1.615 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -1.783 -7.666 0.043 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -1.500 -8.100 -1.631 1.00 0.00 H new ATOM 1026 N GLN A 91 3.435 -9.253 0.095 1.00 0.00 N ATOM 1027 CA GLN A 91 4.585 -9.306 0.977 1.00 0.00 C ATOM 1028 C GLN A 91 5.827 -8.968 0.176 1.00 0.00 C ATOM 1029 O GLN A 91 5.949 -9.378 -0.978 1.00 0.00 O ATOM 1030 CB GLN A 91 4.741 -10.703 1.583 1.00 0.00 C ATOM 1031 CG GLN A 91 3.611 -11.119 2.508 1.00 0.00 C ATOM 1032 CD GLN A 91 3.775 -12.542 3.009 1.00 0.00 C ATOM 1033 OE1 GLN A 91 4.893 -13.043 3.143 1.00 0.00 O ATOM 1034 NE2 GLN A 91 2.665 -13.205 3.291 1.00 0.00 N ATOM 0 H GLN A 91 3.530 -9.828 -0.742 1.00 0.00 H new ATOM 0 HA GLN A 91 4.445 -8.591 1.788 1.00 0.00 H new ATOM 0 HB2 GLN A 91 4.817 -11.429 0.774 1.00 0.00 H new ATOM 0 HB3 GLN A 91 5.679 -10.742 2.136 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.571 -10.439 3.359 1.00 0.00 H new ATOM 0 HG3 GLN A 91 2.661 -11.028 1.982 1.00 0.00 H new ATOM 0 HE21 GLN A 91 1.757 -12.756 3.167 1.00 0.00 H new ATOM 0 HE22 GLN A 91 2.717 -14.165 3.632 1.00 0.00 H new ATOM 1043 N ASP A 92 6.735 -8.212 0.766 1.00 0.00 N ATOM 1044 CA ASP A 92 7.995 -7.906 0.104 1.00 0.00 C ATOM 1045 C ASP A 92 8.860 -9.159 0.059 1.00 0.00 C ATOM 1046 O ASP A 92 8.704 -10.058 0.889 1.00 0.00 O ATOM 1047 CB ASP A 92 8.735 -6.752 0.801 1.00 0.00 C ATOM 1048 CG ASP A 92 8.955 -6.968 2.284 1.00 0.00 C ATOM 1049 OD1 ASP A 92 8.425 -6.167 3.078 1.00 0.00 O ATOM 1050 OD2 ASP A 92 9.663 -7.930 2.662 1.00 0.00 O ATOM 0 H ASP A 92 6.628 -7.801 1.693 1.00 0.00 H new ATOM 0 HA ASP A 92 7.782 -7.579 -0.914 1.00 0.00 H new ATOM 0 HB2 ASP A 92 9.702 -6.609 0.318 1.00 0.00 H new ATOM 0 HB3 ASP A 92 8.168 -5.832 0.658 1.00 0.00 H new ATOM 1055 N PRO A 93 9.750 -9.256 -0.950 1.00 0.00 N ATOM 1056 CA PRO A 93 10.612 -10.431 -1.165 1.00 0.00 C ATOM 1057 C PRO A 93 11.470 -10.793 0.047 1.00 0.00 C ATOM 1058 O PRO A 93 12.036 -11.887 0.107 1.00 0.00 O ATOM 1059 CB PRO A 93 11.504 -10.013 -2.335 1.00 0.00 C ATOM 1060 CG PRO A 93 10.728 -8.967 -3.048 1.00 0.00 C ATOM 1061 CD PRO A 93 9.970 -8.228 -1.985 1.00 0.00 C ATOM 0 HA PRO A 93 10.014 -11.323 -1.351 1.00 0.00 H new ATOM 0 HB2 PRO A 93 12.461 -9.626 -1.984 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.722 -10.858 -2.988 1.00 0.00 H new ATOM 0 HG2 PRO A 93 11.388 -8.295 -3.597 1.00 0.00 H new ATOM 0 HG3 PRO A 93 10.049 -9.411 -3.776 1.00 0.00 H new ATOM 0 HD2 PRO A 93 10.540 -7.383 -1.598 1.00 0.00 H new ATOM 0 HD3 PRO A 93 9.028 -7.831 -2.364 1.00 0.00 H new ATOM 1069 N TRP A 94 11.587 -9.867 0.993 1.00 0.00 N ATOM 1070 CA TRP A 94 12.338 -10.114 2.215 1.00 0.00 C ATOM 1071 C TRP A 94 11.492 -10.907 3.207 1.00 0.00 C ATOM 1072 O TRP A 94 12.015 -11.524 4.135 1.00 0.00 O ATOM 1073 CB TRP A 94 12.803 -8.793 2.826 1.00 0.00 C ATOM 1074 CG TRP A 94 13.642 -7.983 1.885 1.00 0.00 C ATOM 1075 CD1 TRP A 94 14.877 -8.311 1.404 1.00 0.00 C ATOM 1076 CD2 TRP A 94 13.311 -6.714 1.309 1.00 0.00 C ATOM 1077 NE1 TRP A 94 15.331 -7.326 0.562 1.00 0.00 N ATOM 1078 CE2 TRP A 94 14.389 -6.335 0.487 1.00 0.00 C ATOM 1079 CE3 TRP A 94 12.208 -5.864 1.406 1.00 0.00 C ATOM 1080 CZ2 TRP A 94 14.395 -5.142 -0.230 1.00 0.00 C ATOM 1081 CZ3 TRP A 94 12.214 -4.680 0.695 1.00 0.00 C ATOM 1082 CH2 TRP A 94 13.301 -4.328 -0.116 1.00 0.00 C ATOM 0 H TRP A 94 11.170 -8.938 0.935 1.00 0.00 H new ATOM 0 HA TRP A 94 13.220 -10.707 1.973 1.00 0.00 H new ATOM 0 HB2 TRP A 94 11.932 -8.209 3.124 1.00 0.00 H new ATOM 0 HB3 TRP A 94 13.375 -8.998 3.731 1.00 0.00 H new ATOM 0 HD1 TRP A 94 15.418 -9.213 1.650 1.00 0.00 H new ATOM 0 HE1 TRP A 94 16.225 -7.332 0.072 1.00 0.00 H new ATOM 0 HE3 TRP A 94 11.364 -6.128 2.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 15.233 -4.869 -0.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 11.367 -4.014 0.765 1.00 0.00 H new ATOM 0 HH2 TRP A 94 13.275 -3.396 -0.662 1.00 0.00 H new ATOM 1093 N GLY A 95 10.181 -10.882 3.002 1.00 0.00 N ATOM 1094 CA GLY A 95 9.283 -11.713 3.780 1.00 0.00 C ATOM 1095 C GLY A 95 8.441 -10.919 4.754 1.00 0.00 C ATOM 1096 O GLY A 95 7.901 -11.472 5.711 1.00 0.00 O ATOM 0 H GLY A 95 9.721 -10.296 2.305 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.627 -12.262 3.104 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.865 -12.452 4.330 1.00 0.00 H new ATOM 1100 N SER A 96 8.322 -9.624 4.517 1.00 0.00 N ATOM 1101 CA SER A 96 7.603 -8.751 5.430 1.00 0.00 C ATOM 1102 C SER A 96 6.218 -8.402 4.874 1.00 0.00 C ATOM 1103 O SER A 96 6.029 -8.293 3.659 1.00 0.00 O ATOM 1104 CB SER A 96 8.434 -7.492 5.670 1.00 0.00 C ATOM 1105 OG SER A 96 9.799 -7.743 5.370 1.00 0.00 O ATOM 0 H SER A 96 8.713 -9.154 3.701 1.00 0.00 H new ATOM 0 HA SER A 96 7.449 -9.265 6.379 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.061 -6.677 5.049 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.334 -7.174 6.708 1.00 0.00 H new ATOM 0 HG SER A 96 9.926 -7.743 4.398 1.00 0.00 H new ATOM 1111 N ASP A 97 5.256 -8.249 5.774 1.00 0.00 N ATOM 1112 CA ASP A 97 3.876 -7.930 5.412 1.00 0.00 C ATOM 1113 C ASP A 97 3.670 -6.420 5.387 1.00 0.00 C ATOM 1114 O ASP A 97 3.967 -5.735 6.366 1.00 0.00 O ATOM 1115 CB ASP A 97 2.924 -8.601 6.411 1.00 0.00 C ATOM 1116 CG ASP A 97 1.557 -7.950 6.491 1.00 0.00 C ATOM 1117 OD1 ASP A 97 1.336 -7.134 7.415 1.00 0.00 O ATOM 1118 OD2 ASP A 97 0.686 -8.290 5.666 1.00 0.00 O ATOM 0 H ASP A 97 5.408 -8.342 6.778 1.00 0.00 H new ATOM 0 HA ASP A 97 3.663 -8.310 4.413 1.00 0.00 H new ATOM 0 HB2 ASP A 97 2.801 -9.648 6.133 1.00 0.00 H new ATOM 0 HB3 ASP A 97 3.381 -8.585 7.400 1.00 0.00 H new ATOM 1123 N TYR A 98 3.161 -5.921 4.256 1.00 0.00 N ATOM 1124 CA TYR A 98 3.015 -4.481 4.003 1.00 0.00 C ATOM 1125 C TYR A 98 2.262 -3.763 5.114 1.00 0.00 C ATOM 1126 O TYR A 98 1.431 -4.349 5.795 1.00 0.00 O ATOM 1127 CB TYR A 98 2.292 -4.250 2.675 1.00 0.00 C ATOM 1128 CG TYR A 98 3.177 -4.383 1.455 1.00 0.00 C ATOM 1129 CD1 TYR A 98 3.214 -3.385 0.491 1.00 0.00 C ATOM 1130 CD2 TYR A 98 3.970 -5.506 1.261 1.00 0.00 C ATOM 1131 CE1 TYR A 98 4.012 -3.503 -0.628 1.00 0.00 C ATOM 1132 CE2 TYR A 98 4.772 -5.629 0.147 1.00 0.00 C ATOM 1133 CZ TYR A 98 4.788 -4.627 -0.795 1.00 0.00 C ATOM 1134 OH TYR A 98 5.580 -4.750 -1.905 1.00 0.00 O ATOM 0 H TYR A 98 2.837 -6.506 3.486 1.00 0.00 H new ATOM 0 HA TYR A 98 4.022 -4.066 3.964 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.470 -4.962 2.593 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.851 -3.253 2.683 1.00 0.00 H new ATOM 0 HD1 TYR A 98 2.607 -2.501 0.619 1.00 0.00 H new ATOM 0 HD2 TYR A 98 3.958 -6.297 1.996 1.00 0.00 H new ATOM 0 HE1 TYR A 98 4.028 -2.717 -1.369 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.385 -6.508 0.014 1.00 0.00 H new ATOM 0 HH TYR A 98 5.600 -3.898 -2.389 1.00 0.00 H new ATOM 1144 N GLN A 99 2.564 -2.486 5.295 1.00 0.00 N ATOM 1145 CA GLN A 99 1.923 -1.698 6.333 1.00 0.00 C ATOM 1146 C GLN A 99 1.094 -0.580 5.714 1.00 0.00 C ATOM 1147 O GLN A 99 1.532 0.071 4.764 1.00 0.00 O ATOM 1148 CB GLN A 99 2.956 -1.069 7.284 1.00 0.00 C ATOM 1149 CG GLN A 99 4.006 -2.022 7.849 1.00 0.00 C ATOM 1150 CD GLN A 99 5.151 -2.283 6.887 1.00 0.00 C ATOM 1151 OE1 GLN A 99 6.093 -1.509 6.808 1.00 0.00 O ATOM 1152 NE2 GLN A 99 5.118 -3.408 6.199 1.00 0.00 N ATOM 0 H GLN A 99 3.248 -1.975 4.737 1.00 0.00 H new ATOM 0 HA GLN A 99 1.283 -2.374 6.900 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.469 -0.267 6.754 1.00 0.00 H new ATOM 0 HB3 GLN A 99 2.423 -0.611 8.117 1.00 0.00 H new ATOM 0 HG2 GLN A 99 4.404 -1.607 8.775 1.00 0.00 H new ATOM 0 HG3 GLN A 99 3.530 -2.969 8.103 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.318 -4.035 6.285 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.892 -3.651 5.581 1.00 0.00 H new ATOM 1161 N LEU A 100 -0.097 -0.369 6.251 1.00 0.00 N ATOM 1162 CA LEU A 100 -0.912 0.782 5.891 1.00 0.00 C ATOM 1163 C LEU A 100 -1.228 1.553 7.163 1.00 0.00 C ATOM 1164 O LEU A 100 -1.784 0.998 8.110 1.00 0.00 O ATOM 1165 CB LEU A 100 -2.199 0.332 5.169 1.00 0.00 C ATOM 1166 CG LEU A 100 -3.111 1.445 4.612 1.00 0.00 C ATOM 1167 CD1 LEU A 100 -4.014 2.022 5.689 1.00 0.00 C ATOM 1168 CD2 LEU A 100 -2.289 2.554 3.987 1.00 0.00 C ATOM 0 H LEU A 100 -0.524 -0.985 6.943 1.00 0.00 H new ATOM 0 HA LEU A 100 -0.371 1.428 5.200 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.915 -0.319 4.342 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.784 -0.271 5.863 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.739 0.990 3.846 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.641 2.803 5.258 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.646 1.232 6.096 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.404 2.446 6.487 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.954 3.327 3.602 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.629 2.986 4.739 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.692 2.148 3.170 1.00 0.00 H new ATOM 1180 N LEU A 101 -0.854 2.821 7.193 1.00 0.00 N ATOM 1181 CA LEU A 101 -1.026 3.626 8.388 1.00 0.00 C ATOM 1182 C LEU A 101 -1.982 4.783 8.119 1.00 0.00 C ATOM 1183 O LEU A 101 -1.685 5.674 7.322 1.00 0.00 O ATOM 1184 CB LEU A 101 0.350 4.145 8.847 1.00 0.00 C ATOM 1185 CG LEU A 101 0.454 4.647 10.296 1.00 0.00 C ATOM 1186 CD1 LEU A 101 -0.273 5.968 10.486 1.00 0.00 C ATOM 1187 CD2 LEU A 101 -0.080 3.604 11.266 1.00 0.00 C ATOM 0 H LEU A 101 -0.431 3.313 6.406 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.460 3.016 9.180 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.077 3.344 8.712 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.645 4.958 8.184 1.00 0.00 H new ATOM 0 HG LEU A 101 1.510 4.815 10.508 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.177 6.290 11.523 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.163 6.721 9.830 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.328 5.841 10.242 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.003 3.979 12.286 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.126 3.398 11.039 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.500 2.686 11.169 1.00 0.00 H new ATOM 1199 N SER A 102 -3.145 4.732 8.752 1.00 0.00 N ATOM 1200 CA SER A 102 -4.079 5.846 8.747 1.00 0.00 C ATOM 1201 C SER A 102 -4.093 6.534 10.118 1.00 0.00 C ATOM 1202 O SER A 102 -4.229 5.862 11.144 1.00 0.00 O ATOM 1203 CB SER A 102 -5.482 5.351 8.376 1.00 0.00 C ATOM 1204 OG SER A 102 -5.854 4.233 9.166 1.00 0.00 O ATOM 0 H SER A 102 -3.466 3.921 9.281 1.00 0.00 H new ATOM 0 HA SER A 102 -3.759 6.574 8.002 1.00 0.00 H new ATOM 0 HB2 SER A 102 -6.204 6.156 8.516 1.00 0.00 H new ATOM 0 HB3 SER A 102 -5.508 5.079 7.321 1.00 0.00 H new ATOM 0 HG SER A 102 -5.393 4.275 10.030 1.00 0.00 H new ATOM 1210 N PRO A 103 -3.914 7.864 10.183 1.00 0.00 N ATOM 1211 CA PRO A 103 -3.589 8.699 9.031 1.00 0.00 C ATOM 1212 C PRO A 103 -2.086 8.725 8.760 1.00 0.00 C ATOM 1213 O PRO A 103 -1.276 8.786 9.689 1.00 0.00 O ATOM 1214 CB PRO A 103 -4.081 10.076 9.465 1.00 0.00 C ATOM 1215 CG PRO A 103 -3.920 10.093 10.946 1.00 0.00 C ATOM 1216 CD PRO A 103 -4.040 8.664 11.415 1.00 0.00 C ATOM 0 HA PRO A 103 -4.041 8.340 8.106 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -3.499 10.869 8.995 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.121 10.232 9.179 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -2.953 10.511 11.225 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -4.683 10.718 11.410 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -3.259 8.414 12.133 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -4.995 8.486 11.909 1.00 0.00 H new ATOM 1224 N GLY A 104 -1.726 8.682 7.488 1.00 0.00 N ATOM 1225 CA GLY A 104 -0.332 8.601 7.102 1.00 0.00 C ATOM 1226 C GLY A 104 0.453 9.849 7.445 1.00 0.00 C ATOM 1227 O GLY A 104 -0.117 10.919 7.674 1.00 0.00 O ATOM 0 H GLY A 104 -2.382 8.702 6.707 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.126 7.744 7.595 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.268 8.423 6.029 1.00 0.00 H new ATOM 1231 N GLN A 105 1.765 9.707 7.473 1.00 0.00 N ATOM 1232 CA GLN A 105 2.652 10.803 7.824 1.00 0.00 C ATOM 1233 C GLN A 105 2.955 11.662 6.600 1.00 0.00 C ATOM 1234 O GLN A 105 3.342 12.825 6.722 1.00 0.00 O ATOM 1235 CB GLN A 105 3.938 10.237 8.431 1.00 0.00 C ATOM 1236 CG GLN A 105 4.898 11.291 8.961 1.00 0.00 C ATOM 1237 CD GLN A 105 5.905 10.710 9.935 1.00 0.00 C ATOM 1238 OE1 GLN A 105 5.673 10.690 11.145 1.00 0.00 O ATOM 1239 NE2 GLN A 105 7.025 10.230 9.422 1.00 0.00 N ATOM 0 H GLN A 105 2.245 8.834 7.254 1.00 0.00 H new ATOM 0 HA GLN A 105 2.164 11.442 8.561 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.675 9.561 9.244 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.451 9.642 7.675 1.00 0.00 H new ATOM 0 HG2 GLN A 105 5.426 11.752 8.126 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.332 12.081 9.454 1.00 0.00 H new ATOM 0 HE21 GLN A 105 7.180 10.265 8.415 1.00 0.00 H new ATOM 0 HE22 GLN A 105 7.734 9.825 10.034 1.00 0.00 H new ATOM 1248 N HIS A 106 2.764 11.089 5.420 1.00 0.00 N ATOM 1249 CA HIS A 106 3.013 11.800 4.173 1.00 0.00 C ATOM 1250 C HIS A 106 1.698 12.192 3.510 1.00 0.00 C ATOM 1251 O HIS A 106 1.543 13.317 3.035 1.00 0.00 O ATOM 1252 CB HIS A 106 3.840 10.937 3.215 1.00 0.00 C ATOM 1253 CG HIS A 106 5.123 10.437 3.807 1.00 0.00 C ATOM 1254 ND1 HIS A 106 5.323 9.121 4.160 1.00 0.00 N ATOM 1255 CD2 HIS A 106 6.275 11.081 4.104 1.00 0.00 C ATOM 1256 CE1 HIS A 106 6.538 8.974 4.648 1.00 0.00 C ATOM 1257 NE2 HIS A 106 7.138 10.148 4.626 1.00 0.00 N ATOM 0 H HIS A 106 2.436 10.131 5.300 1.00 0.00 H new ATOM 0 HA HIS A 106 3.575 12.704 4.406 1.00 0.00 H new ATOM 0 HB2 HIS A 106 3.240 10.084 2.899 1.00 0.00 H new ATOM 0 HB3 HIS A 106 4.065 11.517 2.320 1.00 0.00 H new ATOM 0 HD1 HIS A 106 4.636 8.374 4.059 1.00 0.00 H new ATOM 0 HD2 HIS A 106 6.478 12.132 3.958 1.00 0.00 H new ATOM 0 HE1 HIS A 106 6.969 8.050 5.005 1.00 0.00 H new ATOM 1266 N GLY A 107 0.754 11.263 3.488 1.00 0.00 N ATOM 1267 CA GLY A 107 -0.543 11.539 2.898 1.00 0.00 C ATOM 1268 C GLY A 107 -1.676 11.255 3.862 1.00 0.00 C ATOM 1269 O GLY A 107 -1.501 11.356 5.077 1.00 0.00 O ATOM 0 H GLY A 107 0.861 10.322 3.868 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.585 12.583 2.586 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -0.670 10.933 2.001 1.00 0.00 H new ATOM 1273 N GLN A 108 -2.840 10.905 3.329 1.00 0.00 N ATOM 1274 CA GLN A 108 -3.978 10.540 4.164 1.00 0.00 C ATOM 1275 C GLN A 108 -3.723 9.162 4.760 1.00 0.00 C ATOM 1276 O GLN A 108 -3.901 8.938 5.954 1.00 0.00 O ATOM 1277 CB GLN A 108 -5.266 10.546 3.331 1.00 0.00 C ATOM 1278 CG GLN A 108 -6.540 10.847 4.120 1.00 0.00 C ATOM 1279 CD GLN A 108 -6.950 9.744 5.082 1.00 0.00 C ATOM 1280 OE1 GLN A 108 -7.670 8.818 4.712 1.00 0.00 O ATOM 1281 NE2 GLN A 108 -6.515 9.849 6.325 1.00 0.00 N ATOM 0 H GLN A 108 -3.021 10.866 2.326 1.00 0.00 H new ATOM 0 HA GLN A 108 -4.099 11.264 4.970 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -5.164 11.285 2.537 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -5.375 9.574 2.850 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -6.397 11.770 4.682 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -7.355 11.024 3.419 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -5.919 10.633 6.592 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -6.775 9.146 7.017 1.00 0.00 H new ATOM 1290 N VAL A 109 -3.272 8.252 3.915 1.00 0.00 N ATOM 1291 CA VAL A 109 -2.850 6.929 4.350 1.00 0.00 C ATOM 1292 C VAL A 109 -1.459 6.634 3.799 1.00 0.00 C ATOM 1293 O VAL A 109 -1.146 6.996 2.663 1.00 0.00 O ATOM 1294 CB VAL A 109 -3.835 5.823 3.903 1.00 0.00 C ATOM 1295 CG1 VAL A 109 -5.149 5.930 4.653 1.00 0.00 C ATOM 1296 CG2 VAL A 109 -4.074 5.883 2.403 1.00 0.00 C ATOM 0 H VAL A 109 -3.187 8.407 2.910 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.833 6.928 5.440 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.383 4.860 4.140 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -5.823 5.141 4.320 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -4.967 5.824 5.723 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.602 6.902 4.456 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.770 5.095 2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.495 6.854 2.140 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.129 5.743 1.878 1.00 0.00 H new ATOM 1306 N ASP A 110 -0.620 6.004 4.603 1.00 0.00 N ATOM 1307 CA ASP A 110 0.747 5.725 4.185 1.00 0.00 C ATOM 1308 C ASP A 110 0.994 4.236 4.026 1.00 0.00 C ATOM 1309 O ASP A 110 0.750 3.453 4.945 1.00 0.00 O ATOM 1310 CB ASP A 110 1.752 6.316 5.173 1.00 0.00 C ATOM 1311 CG ASP A 110 2.468 7.517 4.598 1.00 0.00 C ATOM 1312 OD1 ASP A 110 2.006 8.654 4.825 1.00 0.00 O ATOM 1313 OD2 ASP A 110 3.496 7.331 3.916 1.00 0.00 O ATOM 0 H ASP A 110 -0.856 5.678 5.540 1.00 0.00 H new ATOM 0 HA ASP A 110 0.886 6.198 3.213 1.00 0.00 H new ATOM 0 HB2 ASP A 110 1.235 6.605 6.088 1.00 0.00 H new ATOM 0 HB3 ASP A 110 2.482 5.555 5.447 1.00 0.00 H new ATOM 1318 N ILE A 111 1.468 3.856 2.847 1.00 0.00 N ATOM 1319 CA ILE A 111 1.836 2.476 2.568 1.00 0.00 C ATOM 1320 C ILE A 111 3.354 2.345 2.476 1.00 0.00 C ATOM 1321 O ILE A 111 4.010 3.071 1.719 1.00 0.00 O ATOM 1322 CB ILE A 111 1.193 1.960 1.257 1.00 0.00 C ATOM 1323 CG1 ILE A 111 1.381 2.973 0.126 1.00 0.00 C ATOM 1324 CG2 ILE A 111 -0.282 1.666 1.461 1.00 0.00 C ATOM 1325 CD1 ILE A 111 0.810 2.525 -1.203 1.00 0.00 C ATOM 0 H ILE A 111 1.607 4.492 2.062 1.00 0.00 H new ATOM 0 HA ILE A 111 1.461 1.867 3.390 1.00 0.00 H new ATOM 0 HB ILE A 111 1.694 1.033 0.978 1.00 0.00 H new ATOM 0 HG12 ILE A 111 0.911 3.914 0.413 1.00 0.00 H new ATOM 0 HG13 ILE A 111 2.446 3.172 0.004 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -0.714 1.305 0.527 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -0.398 0.905 2.233 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -0.795 2.577 1.770 1.00 0.00 H new ATOM 0 HD11 ILE A 111 0.983 3.297 -1.952 1.00 0.00 H new ATOM 0 HD12 ILE A 111 1.296 1.601 -1.515 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -0.262 2.354 -1.100 1.00 0.00 H new ATOM 1337 N PHE A 112 3.908 1.434 3.263 1.00 0.00 N ATOM 1338 CA PHE A 112 5.350 1.226 3.303 1.00 0.00 C ATOM 1339 C PHE A 112 5.686 -0.214 3.680 1.00 0.00 C ATOM 1340 O PHE A 112 4.824 -0.957 4.150 1.00 0.00 O ATOM 1341 CB PHE A 112 6.023 2.219 4.265 1.00 0.00 C ATOM 1342 CG PHE A 112 5.493 2.199 5.675 1.00 0.00 C ATOM 1343 CD1 PHE A 112 6.150 1.486 6.664 1.00 0.00 C ATOM 1344 CD2 PHE A 112 4.349 2.906 6.013 1.00 0.00 C ATOM 1345 CE1 PHE A 112 5.677 1.477 7.963 1.00 0.00 C ATOM 1346 CE2 PHE A 112 3.869 2.898 7.309 1.00 0.00 C ATOM 1347 CZ PHE A 112 4.535 2.183 8.286 1.00 0.00 C ATOM 0 H PHE A 112 3.378 0.824 3.886 1.00 0.00 H new ATOM 0 HA PHE A 112 5.742 1.410 2.303 1.00 0.00 H new ATOM 0 HB2 PHE A 112 7.092 2.008 4.292 1.00 0.00 H new ATOM 0 HB3 PHE A 112 5.907 3.226 3.864 1.00 0.00 H new ATOM 0 HD1 PHE A 112 7.043 0.930 6.417 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.827 3.470 5.254 1.00 0.00 H new ATOM 0 HE1 PHE A 112 6.200 0.918 8.725 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.975 3.450 7.558 1.00 0.00 H new ATOM 0 HZ PHE A 112 4.163 2.176 9.300 1.00 0.00 H new ATOM 1357 N SER A 113 6.924 -0.614 3.414 1.00 0.00 N ATOM 1358 CA SER A 113 7.416 -1.934 3.790 1.00 0.00 C ATOM 1359 C SER A 113 8.713 -1.797 4.592 1.00 0.00 C ATOM 1360 O SER A 113 9.514 -0.895 4.336 1.00 0.00 O ATOM 1361 CB SER A 113 7.644 -2.770 2.533 1.00 0.00 C ATOM 1362 OG SER A 113 6.488 -2.762 1.712 1.00 0.00 O ATOM 0 H SER A 113 7.613 -0.035 2.933 1.00 0.00 H new ATOM 0 HA SER A 113 6.677 -2.435 4.415 1.00 0.00 H new ATOM 0 HB2 SER A 113 8.494 -2.376 1.977 1.00 0.00 H new ATOM 0 HB3 SER A 113 7.892 -3.794 2.811 1.00 0.00 H new ATOM 0 HG SER A 113 5.784 -3.298 2.133 1.00 0.00 H new ATOM 1368 N LEU A 114 8.918 -2.711 5.549 1.00 0.00 N ATOM 1369 CA LEU A 114 9.998 -2.584 6.537 1.00 0.00 C ATOM 1370 C LEU A 114 11.375 -2.704 5.907 1.00 0.00 C ATOM 1371 O LEU A 114 12.367 -2.269 6.492 1.00 0.00 O ATOM 1372 CB LEU A 114 9.904 -3.649 7.642 1.00 0.00 C ATOM 1373 CG LEU A 114 8.663 -3.635 8.541 1.00 0.00 C ATOM 1374 CD1 LEU A 114 8.228 -2.215 8.851 1.00 0.00 C ATOM 1375 CD2 LEU A 114 7.531 -4.440 7.927 1.00 0.00 C ATOM 0 H LEU A 114 8.348 -3.550 5.660 1.00 0.00 H new ATOM 0 HA LEU A 114 9.870 -1.589 6.964 1.00 0.00 H new ATOM 0 HB2 LEU A 114 9.964 -4.629 7.169 1.00 0.00 H new ATOM 0 HB3 LEU A 114 10.782 -3.548 8.280 1.00 0.00 H new ATOM 0 HG LEU A 114 8.930 -4.111 9.485 1.00 0.00 H new ATOM 0 HD11 LEU A 114 7.345 -2.236 9.490 1.00 0.00 H new ATOM 0 HD12 LEU A 114 9.035 -1.691 9.363 1.00 0.00 H new ATOM 0 HD13 LEU A 114 7.991 -1.696 7.922 1.00 0.00 H new ATOM 0 HD21 LEU A 114 6.664 -4.412 8.588 1.00 0.00 H new ATOM 0 HD22 LEU A 114 7.264 -4.014 6.960 1.00 0.00 H new ATOM 0 HD23 LEU A 114 7.851 -5.473 7.792 1.00 0.00 H new ATOM 1387 N GLY A 115 11.435 -3.343 4.748 1.00 0.00 N ATOM 1388 CA GLY A 115 12.702 -3.536 4.084 1.00 0.00 C ATOM 1389 C GLY A 115 13.424 -4.768 4.594 1.00 0.00 C ATOM 1390 O GLY A 115 12.845 -5.561 5.339 1.00 0.00 O ATOM 0 H GLY A 115 10.628 -3.730 4.258 1.00 0.00 H new ATOM 0 HA2 GLY A 115 12.539 -3.629 3.010 1.00 0.00 H new ATOM 0 HA3 GLY A 115 13.330 -2.658 4.236 1.00 0.00 H new ATOM 1394 N PRO A 116 14.698 -4.942 4.228 1.00 0.00 N ATOM 1395 CA PRO A 116 15.472 -6.138 4.580 1.00 0.00 C ATOM 1396 C PRO A 116 15.767 -6.234 6.073 1.00 0.00 C ATOM 1397 O PRO A 116 15.977 -7.321 6.606 1.00 0.00 O ATOM 1398 CB PRO A 116 16.785 -5.975 3.799 1.00 0.00 C ATOM 1399 CG PRO A 116 16.553 -4.858 2.835 1.00 0.00 C ATOM 1400 CD PRO A 116 15.493 -3.989 3.443 1.00 0.00 C ATOM 0 HA PRO A 116 14.921 -7.046 4.336 1.00 0.00 H new ATOM 0 HB2 PRO A 116 17.613 -5.746 4.470 1.00 0.00 H new ATOM 0 HB3 PRO A 116 17.045 -6.895 3.275 1.00 0.00 H new ATOM 0 HG2 PRO A 116 17.470 -4.293 2.667 1.00 0.00 H new ATOM 0 HG3 PRO A 116 16.233 -5.241 1.866 1.00 0.00 H new ATOM 0 HD2 PRO A 116 15.922 -3.208 4.070 1.00 0.00 H new ATOM 0 HD3 PRO A 116 14.892 -3.492 2.681 1.00 0.00 H new ATOM 1408 N ASP A 117 15.779 -5.092 6.743 1.00 0.00 N ATOM 1409 CA ASP A 117 16.181 -5.036 8.148 1.00 0.00 C ATOM 1410 C ASP A 117 14.984 -5.062 9.088 1.00 0.00 C ATOM 1411 O ASP A 117 15.140 -5.228 10.296 1.00 0.00 O ATOM 1412 CB ASP A 117 17.028 -3.791 8.420 1.00 0.00 C ATOM 1413 CG ASP A 117 16.444 -2.534 7.804 1.00 0.00 C ATOM 1414 OD1 ASP A 117 17.174 -1.876 7.029 1.00 0.00 O ATOM 1415 OD2 ASP A 117 15.262 -2.218 8.079 1.00 0.00 O ATOM 0 H ASP A 117 15.517 -4.192 6.342 1.00 0.00 H new ATOM 0 HA ASP A 117 16.778 -5.927 8.342 1.00 0.00 H new ATOM 0 HB2 ASP A 117 17.124 -3.651 9.497 1.00 0.00 H new ATOM 0 HB3 ASP A 117 18.033 -3.949 8.028 1.00 0.00 H new ATOM 1420 N GLY A 118 13.791 -4.901 8.535 1.00 0.00 N ATOM 1421 CA GLY A 118 12.591 -4.950 9.347 1.00 0.00 C ATOM 1422 C GLY A 118 12.363 -3.689 10.164 1.00 0.00 C ATOM 1423 O GLY A 118 11.491 -3.664 11.032 1.00 0.00 O ATOM 0 H GLY A 118 13.632 -4.738 7.541 1.00 0.00 H new ATOM 0 HA2 GLY A 118 11.730 -5.115 8.700 1.00 0.00 H new ATOM 0 HA3 GLY A 118 12.652 -5.805 10.021 1.00 0.00 H new ATOM 1427 N VAL A 119 13.144 -2.646 9.897 1.00 0.00 N ATOM 1428 CA VAL A 119 13.028 -1.396 10.645 1.00 0.00 C ATOM 1429 C VAL A 119 12.012 -0.451 10.001 1.00 0.00 C ATOM 1430 O VAL A 119 12.234 0.044 8.891 1.00 0.00 O ATOM 1431 CB VAL A 119 14.389 -0.677 10.761 1.00 0.00 C ATOM 1432 CG1 VAL A 119 14.260 0.597 11.585 1.00 0.00 C ATOM 1433 CG2 VAL A 119 15.431 -1.604 11.373 1.00 0.00 C ATOM 0 H VAL A 119 13.861 -2.640 9.172 1.00 0.00 H new ATOM 0 HA VAL A 119 12.682 -1.662 11.644 1.00 0.00 H new ATOM 0 HB VAL A 119 14.715 -0.402 9.758 1.00 0.00 H new ATOM 0 HG11 VAL A 119 15.232 1.086 11.653 1.00 0.00 H new ATOM 0 HG12 VAL A 119 13.548 1.269 11.107 1.00 0.00 H new ATOM 0 HG13 VAL A 119 13.908 0.349 12.586 1.00 0.00 H new ATOM 0 HG21 VAL A 119 16.384 -1.081 11.447 1.00 0.00 H new ATOM 0 HG22 VAL A 119 15.106 -1.910 12.368 1.00 0.00 H new ATOM 0 HG23 VAL A 119 15.549 -2.485 10.743 1.00 0.00 H new ATOM 1443 N PRO A 120 10.876 -0.197 10.695 1.00 0.00 N ATOM 1444 CA PRO A 120 9.835 0.719 10.219 1.00 0.00 C ATOM 1445 C PRO A 120 10.224 2.185 10.382 1.00 0.00 C ATOM 1446 O PRO A 120 11.064 2.523 11.222 1.00 0.00 O ATOM 1447 CB PRO A 120 8.622 0.409 11.110 1.00 0.00 C ATOM 1448 CG PRO A 120 9.014 -0.757 11.960 1.00 0.00 C ATOM 1449 CD PRO A 120 10.514 -0.783 11.990 1.00 0.00 C ATOM 0 HA PRO A 120 9.650 0.577 9.154 1.00 0.00 H new ATOM 0 HB2 PRO A 120 8.362 1.270 11.726 1.00 0.00 H new ATOM 0 HB3 PRO A 120 7.746 0.173 10.506 1.00 0.00 H new ATOM 0 HG2 PRO A 120 8.608 -0.656 12.967 1.00 0.00 H new ATOM 0 HG3 PRO A 120 8.619 -1.686 11.549 1.00 0.00 H new ATOM 0 HD2 PRO A 120 10.912 -0.202 12.822 1.00 0.00 H new ATOM 0 HD3 PRO A 120 10.899 -1.797 12.097 1.00 0.00 H new ATOM 1457 N GLU A 121 9.604 3.044 9.567 1.00 0.00 N ATOM 1458 CA GLU A 121 9.799 4.497 9.641 1.00 0.00 C ATOM 1459 C GLU A 121 11.233 4.881 9.296 1.00 0.00 C ATOM 1460 O GLU A 121 11.679 5.997 9.568 1.00 0.00 O ATOM 1461 CB GLU A 121 9.427 5.023 11.031 1.00 0.00 C ATOM 1462 CG GLU A 121 7.930 5.082 11.285 1.00 0.00 C ATOM 1463 CD GLU A 121 7.246 6.146 10.453 1.00 0.00 C ATOM 1464 OE1 GLU A 121 7.563 7.340 10.638 1.00 0.00 O ATOM 1465 OE2 GLU A 121 6.380 5.799 9.623 1.00 0.00 O ATOM 0 H GLU A 121 8.953 2.753 8.838 1.00 0.00 H new ATOM 0 HA GLU A 121 9.139 4.957 8.905 1.00 0.00 H new ATOM 0 HB2 GLU A 121 9.889 4.386 11.786 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.847 6.021 11.156 1.00 0.00 H new ATOM 0 HG2 GLU A 121 7.488 4.111 11.063 1.00 0.00 H new ATOM 0 HG3 GLU A 121 7.751 5.280 12.342 1.00 0.00 H new ATOM 1472 N SER A 122 11.942 3.956 8.685 1.00 0.00 N ATOM 1473 CA SER A 122 13.328 4.151 8.328 1.00 0.00 C ATOM 1474 C SER A 122 13.453 4.654 6.890 1.00 0.00 C ATOM 1475 O SER A 122 12.456 4.772 6.179 1.00 0.00 O ATOM 1476 CB SER A 122 14.050 2.826 8.513 1.00 0.00 C ATOM 1477 OG SER A 122 13.193 1.752 8.165 1.00 0.00 O ATOM 0 H SER A 122 11.570 3.044 8.421 1.00 0.00 H new ATOM 0 HA SER A 122 13.779 4.909 8.968 1.00 0.00 H new ATOM 0 HB2 SER A 122 14.946 2.802 7.893 1.00 0.00 H new ATOM 0 HB3 SER A 122 14.375 2.721 9.548 1.00 0.00 H new ATOM 0 HG SER A 122 13.009 1.779 7.203 1.00 0.00 H new ATOM 1483 N ASN A 123 14.675 4.956 6.462 1.00 0.00 N ATOM 1484 CA ASN A 123 14.901 5.440 5.103 1.00 0.00 C ATOM 1485 C ASN A 123 15.053 4.272 4.141 1.00 0.00 C ATOM 1486 O ASN A 123 14.819 4.407 2.941 1.00 0.00 O ATOM 1487 CB ASN A 123 16.134 6.346 5.031 1.00 0.00 C ATOM 1488 CG ASN A 123 15.960 7.637 5.809 1.00 0.00 C ATOM 1489 OD1 ASN A 123 16.341 7.733 6.975 1.00 0.00 O ATOM 1490 ND2 ASN A 123 15.375 8.642 5.175 1.00 0.00 N ATOM 0 H ASN A 123 15.518 4.875 7.031 1.00 0.00 H new ATOM 0 HA ASN A 123 14.031 6.029 4.812 1.00 0.00 H new ATOM 0 HB2 ASN A 123 16.999 5.807 5.419 1.00 0.00 H new ATOM 0 HB3 ASN A 123 16.346 6.581 3.988 1.00 0.00 H new ATOM 0 HD21 ASN A 123 15.228 9.531 5.654 1.00 0.00 H new ATOM 0 HD22 ASN A 123 15.072 8.527 4.208 1.00 0.00 H new ATOM 1497 N ASP A 124 15.446 3.121 4.676 1.00 0.00 N ATOM 1498 CA ASP A 124 15.519 1.890 3.889 1.00 0.00 C ATOM 1499 C ASP A 124 14.113 1.400 3.574 1.00 0.00 C ATOM 1500 O ASP A 124 13.904 0.634 2.634 1.00 0.00 O ATOM 1501 CB ASP A 124 16.250 0.791 4.659 1.00 0.00 C ATOM 1502 CG ASP A 124 15.373 0.187 5.735 1.00 0.00 C ATOM 1503 OD1 ASP A 124 14.662 -0.800 5.491 1.00 0.00 O ATOM 1504 OD2 ASP A 124 15.309 0.713 6.854 1.00 0.00 O ATOM 0 H ASP A 124 15.720 3.012 5.653 1.00 0.00 H new ATOM 0 HA ASP A 124 16.064 2.110 2.971 1.00 0.00 H new ATOM 0 HB2 ASP A 124 16.568 0.011 3.967 1.00 0.00 H new ATOM 0 HB3 ASP A 124 17.152 1.202 5.112 1.00 0.00 H new ATOM 1509 N ASP A 125 13.162 1.837 4.398 1.00 0.00 N ATOM 1510 CA ASP A 125 11.767 1.454 4.251 1.00 0.00 C ATOM 1511 C ASP A 125 11.274 1.786 2.859 1.00 0.00 C ATOM 1512 O ASP A 125 11.499 2.893 2.360 1.00 0.00 O ATOM 1513 CB ASP A 125 10.898 2.184 5.273 1.00 0.00 C ATOM 1514 CG ASP A 125 10.847 1.517 6.632 1.00 0.00 C ATOM 1515 OD1 ASP A 125 9.717 1.366 7.160 1.00 0.00 O ATOM 1516 OD2 ASP A 125 11.920 1.179 7.192 1.00 0.00 O ATOM 0 H ASP A 125 13.340 2.464 5.182 1.00 0.00 H new ATOM 0 HA ASP A 125 11.695 0.379 4.418 1.00 0.00 H new ATOM 0 HB2 ASP A 125 11.274 3.200 5.393 1.00 0.00 H new ATOM 0 HB3 ASP A 125 9.884 2.263 4.881 1.00 0.00 H new ATOM 1521 N ILE A 126 10.617 0.834 2.228 1.00 0.00 N ATOM 1522 CA ILE A 126 10.081 1.063 0.904 1.00 0.00 C ATOM 1523 C ILE A 126 8.744 1.765 1.019 1.00 0.00 C ATOM 1524 O ILE A 126 7.708 1.134 1.230 1.00 0.00 O ATOM 1525 CB ILE A 126 9.903 -0.234 0.098 1.00 0.00 C ATOM 1526 CG1 ILE A 126 11.171 -1.094 0.155 1.00 0.00 C ATOM 1527 CG2 ILE A 126 9.555 0.118 -1.341 1.00 0.00 C ATOM 1528 CD1 ILE A 126 12.415 -0.392 -0.349 1.00 0.00 C ATOM 0 H ILE A 126 10.443 -0.097 2.607 1.00 0.00 H new ATOM 0 HA ILE A 126 10.802 1.681 0.368 1.00 0.00 H new ATOM 0 HB ILE A 126 9.092 -0.818 0.534 1.00 0.00 H new ATOM 0 HG12 ILE A 126 11.337 -1.410 1.185 1.00 0.00 H new ATOM 0 HG13 ILE A 126 11.012 -1.997 -0.434 1.00 0.00 H new ATOM 0 HG21 ILE A 126 9.427 -0.797 -1.919 1.00 0.00 H new ATOM 0 HG22 ILE A 126 8.629 0.692 -1.361 1.00 0.00 H new ATOM 0 HG23 ILE A 126 10.359 0.712 -1.775 1.00 0.00 H new ATOM 0 HD11 ILE A 126 13.268 -1.066 -0.276 1.00 0.00 H new ATOM 0 HD12 ILE A 126 12.272 -0.100 -1.389 1.00 0.00 H new ATOM 0 HD13 ILE A 126 12.602 0.496 0.255 1.00 0.00 H new ATOM 1540 N GLY A 127 8.784 3.073 0.903 1.00 0.00 N ATOM 1541 CA GLY A 127 7.590 3.865 1.036 1.00 0.00 C ATOM 1542 C GLY A 127 7.130 4.388 -0.297 1.00 0.00 C ATOM 1543 O GLY A 127 7.945 4.642 -1.186 1.00 0.00 O ATOM 0 H GLY A 127 9.632 3.608 0.717 1.00 0.00 H new ATOM 0 HA2 GLY A 127 6.800 3.263 1.485 1.00 0.00 H new ATOM 0 HA3 GLY A 127 7.778 4.700 1.711 1.00 0.00 H new ATOM 1547 N ASN A 128 5.830 4.553 -0.444 1.00 0.00 N ATOM 1548 CA ASN A 128 5.269 5.053 -1.690 1.00 0.00 C ATOM 1549 C ASN A 128 5.684 6.502 -1.918 1.00 0.00 C ATOM 1550 O ASN A 128 5.763 6.977 -3.052 1.00 0.00 O ATOM 1551 CB ASN A 128 3.753 4.928 -1.671 1.00 0.00 C ATOM 1552 CG ASN A 128 3.146 5.206 -3.023 1.00 0.00 C ATOM 1553 OD1 ASN A 128 3.765 4.968 -4.052 1.00 0.00 O ATOM 1554 ND2 ASN A 128 1.927 5.701 -3.027 1.00 0.00 N ATOM 0 H ASN A 128 5.141 4.350 0.280 1.00 0.00 H new ATOM 0 HA ASN A 128 5.657 4.453 -2.513 1.00 0.00 H new ATOM 0 HB2 ASN A 128 3.476 3.924 -1.349 1.00 0.00 H new ATOM 0 HB3 ASN A 128 3.341 5.623 -0.939 1.00 0.00 H new ATOM 0 HD21 ASN A 128 1.461 5.902 -3.912 1.00 0.00 H new ATOM 0 HD22 ASN A 128 1.448 5.884 -2.145 1.00 0.00 H new ATOM 1561 N TRP A 129 5.963 7.193 -0.825 1.00 0.00 N ATOM 1562 CA TRP A 129 6.473 8.551 -0.888 1.00 0.00 C ATOM 1563 C TRP A 129 7.938 8.537 -1.316 1.00 0.00 C ATOM 1564 O TRP A 129 8.427 9.478 -1.940 1.00 0.00 O ATOM 1565 CB TRP A 129 6.319 9.221 0.481 1.00 0.00 C ATOM 1566 CG TRP A 129 6.829 10.629 0.533 1.00 0.00 C ATOM 1567 CD1 TRP A 129 6.146 11.761 0.197 1.00 0.00 C ATOM 1568 CD2 TRP A 129 8.131 11.053 0.952 1.00 0.00 C ATOM 1569 NE1 TRP A 129 6.943 12.862 0.382 1.00 0.00 N ATOM 1570 CE2 TRP A 129 8.167 12.454 0.843 1.00 0.00 C ATOM 1571 CE3 TRP A 129 9.270 10.383 1.407 1.00 0.00 C ATOM 1572 CZ2 TRP A 129 9.297 13.196 1.173 1.00 0.00 C ATOM 1573 CZ3 TRP A 129 10.390 11.120 1.734 1.00 0.00 C ATOM 1574 CH2 TRP A 129 10.397 12.514 1.617 1.00 0.00 C ATOM 0 H TRP A 129 5.844 6.832 0.122 1.00 0.00 H new ATOM 0 HA TRP A 129 5.904 9.119 -1.624 1.00 0.00 H new ATOM 0 HB2 TRP A 129 5.265 9.217 0.759 1.00 0.00 H new ATOM 0 HB3 TRP A 129 6.848 8.627 1.226 1.00 0.00 H new ATOM 0 HD1 TRP A 129 5.128 11.787 -0.162 1.00 0.00 H new ATOM 0 HE1 TRP A 129 6.669 13.828 0.205 1.00 0.00 H new ATOM 0 HE3 TRP A 129 9.274 9.307 1.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 9.305 14.272 1.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 11.276 10.612 2.086 1.00 0.00 H new ATOM 0 HH2 TRP A 129 11.288 13.063 1.882 1.00 0.00 H new ATOM 1585 N THR A 130 8.625 7.450 -0.992 1.00 0.00 N ATOM 1586 CA THR A 130 10.038 7.309 -1.294 1.00 0.00 C ATOM 1587 C THR A 130 10.254 7.036 -2.780 1.00 0.00 C ATOM 1588 O THR A 130 11.217 7.521 -3.378 1.00 0.00 O ATOM 1589 CB THR A 130 10.653 6.164 -0.472 1.00 0.00 C ATOM 1590 OG1 THR A 130 10.095 6.170 0.848 1.00 0.00 O ATOM 1591 CG2 THR A 130 12.165 6.308 -0.388 1.00 0.00 C ATOM 0 H THR A 130 8.218 6.646 -0.514 1.00 0.00 H new ATOM 0 HA THR A 130 10.528 8.247 -1.032 1.00 0.00 H new ATOM 0 HB THR A 130 10.424 5.220 -0.966 1.00 0.00 H new ATOM 0 HG1 THR A 130 10.485 5.439 1.372 1.00 0.00 H new ATOM 0 HG21 THR A 130 12.577 5.487 0.198 1.00 0.00 H new ATOM 0 HG22 THR A 130 12.589 6.285 -1.392 1.00 0.00 H new ATOM 0 HG23 THR A 130 12.414 7.255 0.090 1.00 0.00 H new ATOM 1599 N ILE A 131 9.361 6.252 -3.375 1.00 0.00 N ATOM 1600 CA ILE A 131 9.432 5.981 -4.805 1.00 0.00 C ATOM 1601 C ILE A 131 8.879 7.168 -5.595 1.00 0.00 C ATOM 1602 O ILE A 131 9.397 7.511 -6.658 1.00 0.00 O ATOM 1603 CB ILE A 131 8.703 4.668 -5.189 1.00 0.00 C ATOM 1604 CG1 ILE A 131 8.759 4.431 -6.702 1.00 0.00 C ATOM 1605 CG2 ILE A 131 7.266 4.672 -4.698 1.00 0.00 C ATOM 1606 CD1 ILE A 131 10.161 4.221 -7.234 1.00 0.00 C ATOM 0 H ILE A 131 8.586 5.797 -2.893 1.00 0.00 H new ATOM 0 HA ILE A 131 10.482 5.844 -5.064 1.00 0.00 H new ATOM 0 HB ILE A 131 9.223 3.846 -4.697 1.00 0.00 H new ATOM 0 HG12 ILE A 131 8.153 3.559 -6.947 1.00 0.00 H new ATOM 0 HG13 ILE A 131 8.311 5.284 -7.211 1.00 0.00 H new ATOM 0 HG21 ILE A 131 6.782 3.738 -4.983 1.00 0.00 H new ATOM 0 HG22 ILE A 131 7.253 4.771 -3.613 1.00 0.00 H new ATOM 0 HG23 ILE A 131 6.731 5.509 -5.146 1.00 0.00 H new ATOM 0 HD11 ILE A 131 10.121 4.060 -8.311 1.00 0.00 H new ATOM 0 HD12 ILE A 131 10.767 5.102 -7.021 1.00 0.00 H new ATOM 0 HD13 ILE A 131 10.606 3.350 -6.753 1.00 0.00 H new ATOM 1618 N GLY A 132 7.841 7.806 -5.064 1.00 0.00 N ATOM 1619 CA GLY A 132 7.397 9.064 -5.626 1.00 0.00 C ATOM 1620 C GLY A 132 6.036 9.008 -6.296 1.00 0.00 C ATOM 1621 O GLY A 132 5.659 9.951 -6.988 1.00 0.00 O ATOM 0 H GLY A 132 7.305 7.476 -4.261 1.00 0.00 H new ATOM 0 HA2 GLY A 132 7.367 9.811 -4.833 1.00 0.00 H new ATOM 0 HA3 GLY A 132 8.133 9.402 -6.355 1.00 0.00 H new