USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 716 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 82 HIS : no HD1:sc= -2.62! X(o=-2.8!,f=-2.8) USER MOD Set 1.2: A 92 SER OG : rot -0:sc= -0.167 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 20:sc= 0.503! USER MOD Single : A 44 GLN : amide:sc= -1.81! C(o=-1.8!,f=-3!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 136:sc= -1.93 (180deg=-3.71!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0128 X(o=-0.013,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 159:sc= -0.0307 (180deg=-0.367) USER MOD Single : A 69 LYS NZ :NH3+ -155:sc= 0.294 (180deg=-0.343) USER MOD Single : A 71 GLN : amide:sc= -0.105 X(o=-0.11,f=0) USER MOD Single : A 73 MET CE :methyl 132:sc= -0.221 (180deg=-1.03) USER MOD Single : A 74 ASN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot -170:sc= 0 USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= -0.0534 USER MOD Single : A 105 MET CE :methyl -141:sc= -0.0461 (180deg=-1.15) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 107:sc= 1.25 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 35:sc= 0.712 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 37 12.701 13.505 26.575 1.00 0.00 N ATOM 2 CA GLY A 37 14.006 13.086 26.097 1.00 0.00 C ATOM 3 C GLY A 37 13.997 11.672 25.552 1.00 0.00 C ATOM 4 O GLY A 37 14.114 10.707 26.308 1.00 0.00 O ATOM 0 HA2 GLY A 37 14.341 13.770 25.318 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.727 13.153 26.912 1.00 0.00 H new ATOM 8 N SER A 38 13.857 11.547 24.237 1.00 0.00 N ATOM 9 CA SER A 38 13.829 10.239 23.591 1.00 0.00 C ATOM 10 C SER A 38 15.136 9.968 22.854 1.00 0.00 C ATOM 11 O SER A 38 15.756 10.882 22.310 1.00 0.00 O ATOM 12 CB SER A 38 12.653 10.154 22.616 1.00 0.00 C ATOM 13 OG SER A 38 12.559 8.862 22.042 1.00 0.00 O ATOM 0 H SER A 38 13.761 12.335 23.597 1.00 0.00 H new ATOM 0 HA SER A 38 13.706 9.482 24.365 1.00 0.00 H new ATOM 0 HB2 SER A 38 11.726 10.392 23.138 1.00 0.00 H new ATOM 0 HB3 SER A 38 12.775 10.897 21.828 1.00 0.00 H new ATOM 0 HG SER A 38 11.799 8.833 21.424 1.00 0.00 H new ATOM 19 N SER A 39 15.550 8.705 22.841 1.00 0.00 N ATOM 20 CA SER A 39 16.786 8.313 22.174 1.00 0.00 C ATOM 21 C SER A 39 16.642 8.416 20.658 1.00 0.00 C ATOM 22 O SER A 39 15.536 8.358 20.123 1.00 0.00 O ATOM 23 CB SER A 39 17.171 6.885 22.565 1.00 0.00 C ATOM 24 OG SER A 39 17.977 6.875 23.730 1.00 0.00 O ATOM 0 H SER A 39 15.048 7.936 23.285 1.00 0.00 H new ATOM 0 HA SER A 39 17.574 8.995 22.494 1.00 0.00 H new ATOM 0 HB2 SER A 39 16.270 6.296 22.737 1.00 0.00 H new ATOM 0 HB3 SER A 39 17.708 6.412 21.743 1.00 0.00 H new ATOM 0 HG SER A 39 18.208 5.951 23.960 1.00 0.00 H new ATOM 30 N GLY A 40 17.771 8.570 19.972 1.00 0.00 N ATOM 31 CA GLY A 40 17.750 8.679 18.525 1.00 0.00 C ATOM 32 C GLY A 40 17.583 7.335 17.845 1.00 0.00 C ATOM 33 O GLY A 40 18.567 6.674 17.511 1.00 0.00 O ATOM 0 H GLY A 40 18.699 8.621 20.392 1.00 0.00 H new ATOM 0 HA2 GLY A 40 16.935 9.338 18.225 1.00 0.00 H new ATOM 0 HA3 GLY A 40 18.676 9.142 18.185 1.00 0.00 H new ATOM 37 N SER A 41 16.335 6.928 17.639 1.00 0.00 N ATOM 38 CA SER A 41 16.043 5.651 16.999 1.00 0.00 C ATOM 39 C SER A 41 16.643 5.596 15.598 1.00 0.00 C ATOM 40 O SER A 41 16.763 6.617 14.921 1.00 0.00 O ATOM 41 CB SER A 41 14.531 5.425 16.928 1.00 0.00 C ATOM 42 OG SER A 41 13.989 5.196 18.217 1.00 0.00 O ATOM 0 H SER A 41 15.509 7.464 17.906 1.00 0.00 H new ATOM 0 HA SER A 41 16.493 4.861 17.600 1.00 0.00 H new ATOM 0 HB2 SER A 41 14.051 6.294 16.477 1.00 0.00 H new ATOM 0 HB3 SER A 41 14.317 4.572 16.283 1.00 0.00 H new ATOM 0 HG SER A 41 13.022 5.056 18.145 1.00 0.00 H new ATOM 48 N SER A 42 17.019 4.395 15.168 1.00 0.00 N ATOM 49 CA SER A 42 17.610 4.206 13.849 1.00 0.00 C ATOM 50 C SER A 42 16.532 3.934 12.804 1.00 0.00 C ATOM 51 O SER A 42 15.753 2.990 12.930 1.00 0.00 O ATOM 52 CB SER A 42 18.612 3.050 13.877 1.00 0.00 C ATOM 53 OG SER A 42 17.947 1.799 13.864 1.00 0.00 O ATOM 0 H SER A 42 16.925 3.539 15.714 1.00 0.00 H new ATOM 0 HA SER A 42 18.132 5.124 13.577 1.00 0.00 H new ATOM 0 HB2 SER A 42 19.278 3.121 13.017 1.00 0.00 H new ATOM 0 HB3 SER A 42 19.234 3.125 14.769 1.00 0.00 H new ATOM 0 HG SER A 42 17.036 1.917 13.524 1.00 0.00 H new ATOM 59 N GLY A 43 16.494 4.770 11.771 1.00 0.00 N ATOM 60 CA GLY A 43 15.508 4.605 10.719 1.00 0.00 C ATOM 61 C GLY A 43 14.411 5.649 10.782 1.00 0.00 C ATOM 62 O GLY A 43 13.275 5.343 11.141 1.00 0.00 O ATOM 0 H GLY A 43 17.128 5.559 11.644 1.00 0.00 H new ATOM 0 HA2 GLY A 43 16.003 4.661 9.750 1.00 0.00 H new ATOM 0 HA3 GLY A 43 15.065 3.612 10.794 1.00 0.00 H new ATOM 66 N GLN A 44 14.753 6.886 10.435 1.00 0.00 N ATOM 67 CA GLN A 44 13.788 7.979 10.457 1.00 0.00 C ATOM 68 C GLN A 44 12.647 7.717 9.480 1.00 0.00 C ATOM 69 O GLN A 44 12.764 6.886 8.579 1.00 0.00 O ATOM 70 CB GLN A 44 14.477 9.301 10.113 1.00 0.00 C ATOM 71 CG GLN A 44 15.172 9.292 8.761 1.00 0.00 C ATOM 72 CD GLN A 44 15.717 10.653 8.376 1.00 0.00 C ATOM 73 OE1 GLN A 44 15.042 11.671 8.529 1.00 0.00 O ATOM 74 NE2 GLN A 44 16.946 10.677 7.873 1.00 0.00 N ATOM 0 H GLN A 44 15.690 7.156 10.136 1.00 0.00 H new ATOM 0 HA GLN A 44 13.373 8.044 11.463 1.00 0.00 H new ATOM 0 HB2 GLN A 44 13.737 10.101 10.126 1.00 0.00 H new ATOM 0 HB3 GLN A 44 15.209 9.532 10.887 1.00 0.00 H new ATOM 0 HG2 GLN A 44 15.989 8.570 8.781 1.00 0.00 H new ATOM 0 HG3 GLN A 44 14.470 8.957 7.998 1.00 0.00 H new ATOM 0 HE21 GLN A 44 17.469 9.808 7.764 1.00 0.00 H new ATOM 0 HE22 GLN A 44 17.366 11.564 7.596 1.00 0.00 H new ATOM 83 N LYS A 45 11.542 8.432 9.664 1.00 0.00 N ATOM 84 CA LYS A 45 10.378 8.278 8.799 1.00 0.00 C ATOM 85 C LYS A 45 10.564 9.047 7.495 1.00 0.00 C ATOM 86 O LYS A 45 10.291 8.529 6.412 1.00 0.00 O ATOM 87 CB LYS A 45 9.117 8.766 9.515 1.00 0.00 C ATOM 88 CG LYS A 45 8.707 7.891 10.688 1.00 0.00 C ATOM 89 CD LYS A 45 7.998 8.697 11.763 1.00 0.00 C ATOM 90 CE LYS A 45 6.598 9.101 11.326 1.00 0.00 C ATOM 91 NZ LYS A 45 5.677 9.255 12.485 1.00 0.00 N ATOM 0 H LYS A 45 11.428 9.124 10.405 1.00 0.00 H new ATOM 0 HA LYS A 45 10.269 7.219 8.564 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.282 9.783 9.871 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.296 8.808 8.799 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.051 7.094 10.337 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.590 7.413 11.113 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.939 8.110 12.679 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.580 9.589 11.993 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.647 10.040 10.774 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.200 8.350 10.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.734 9.531 12.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.610 8.353 12.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.043 9.990 13.124 1.00 0.00 H new ATOM 105 N VAL A 46 11.032 10.286 7.605 1.00 0.00 N ATOM 106 CA VAL A 46 11.257 11.126 6.435 1.00 0.00 C ATOM 107 C VAL A 46 11.814 10.311 5.273 1.00 0.00 C ATOM 108 O VAL A 46 11.284 10.353 4.163 1.00 0.00 O ATOM 109 CB VAL A 46 12.229 12.279 6.750 1.00 0.00 C ATOM 110 CG1 VAL A 46 12.503 13.102 5.500 1.00 0.00 C ATOM 111 CG2 VAL A 46 11.673 13.154 7.863 1.00 0.00 C ATOM 0 H VAL A 46 11.263 10.731 8.493 1.00 0.00 H new ATOM 0 HA VAL A 46 10.290 11.542 6.154 1.00 0.00 H new ATOM 0 HB VAL A 46 13.173 11.854 7.090 1.00 0.00 H new ATOM 0 HG11 VAL A 46 13.191 13.912 5.741 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.946 12.465 4.735 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.568 13.520 5.127 1.00 0.00 H new ATOM 0 HG21 VAL A 46 12.372 13.964 8.073 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.716 13.573 7.553 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.532 12.554 8.762 1.00 0.00 H new ATOM 121 N GLU A 47 12.884 9.568 5.537 1.00 0.00 N ATOM 122 CA GLU A 47 13.513 8.743 4.512 1.00 0.00 C ATOM 123 C GLU A 47 12.490 7.822 3.853 1.00 0.00 C ATOM 124 O GLU A 47 12.336 7.820 2.631 1.00 0.00 O ATOM 125 CB GLU A 47 14.647 7.914 5.117 1.00 0.00 C ATOM 126 CG GLU A 47 15.888 8.727 5.443 1.00 0.00 C ATOM 127 CD GLU A 47 17.082 7.857 5.786 1.00 0.00 C ATOM 128 OE1 GLU A 47 17.085 6.671 5.395 1.00 0.00 O ATOM 129 OE2 GLU A 47 18.014 8.362 6.447 1.00 0.00 O ATOM 0 H GLU A 47 13.333 9.520 6.451 1.00 0.00 H new ATOM 0 HA GLU A 47 13.924 9.405 3.750 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.289 7.433 6.027 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.916 7.119 4.421 1.00 0.00 H new ATOM 0 HG2 GLU A 47 16.137 9.360 4.591 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.674 9.390 6.281 1.00 0.00 H new ATOM 136 N PHE A 48 11.794 7.039 4.671 1.00 0.00 N ATOM 137 CA PHE A 48 10.787 6.112 4.168 1.00 0.00 C ATOM 138 C PHE A 48 9.757 6.840 3.309 1.00 0.00 C ATOM 139 O PHE A 48 9.446 6.411 2.198 1.00 0.00 O ATOM 140 CB PHE A 48 10.088 5.405 5.332 1.00 0.00 C ATOM 141 CG PHE A 48 8.968 4.502 4.900 1.00 0.00 C ATOM 142 CD1 PHE A 48 9.236 3.251 4.368 1.00 0.00 C ATOM 143 CD2 PHE A 48 7.649 4.905 5.025 1.00 0.00 C ATOM 144 CE1 PHE A 48 8.207 2.418 3.969 1.00 0.00 C ATOM 145 CE2 PHE A 48 6.616 4.076 4.628 1.00 0.00 C ATOM 146 CZ PHE A 48 6.896 2.831 4.100 1.00 0.00 C ATOM 0 H PHE A 48 11.909 7.028 5.684 1.00 0.00 H new ATOM 0 HA PHE A 48 11.290 5.369 3.549 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.823 4.820 5.885 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.695 6.155 6.019 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.260 2.923 4.264 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.425 5.878 5.437 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.429 1.445 3.555 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.591 4.402 4.731 1.00 0.00 H new ATOM 0 HZ PHE A 48 6.091 2.181 3.790 1.00 0.00 H new ATOM 156 N ARG A 49 9.233 7.943 3.832 1.00 0.00 N ATOM 157 CA ARG A 49 8.237 8.730 3.115 1.00 0.00 C ATOM 158 C ARG A 49 8.672 8.972 1.672 1.00 0.00 C ATOM 159 O ARG A 49 7.946 8.652 0.731 1.00 0.00 O ATOM 160 CB ARG A 49 8.008 10.068 3.821 1.00 0.00 C ATOM 161 CG ARG A 49 6.771 10.808 3.337 1.00 0.00 C ATOM 162 CD ARG A 49 6.164 11.659 4.441 1.00 0.00 C ATOM 163 NE ARG A 49 5.201 12.626 3.920 1.00 0.00 N ATOM 164 CZ ARG A 49 4.248 13.184 4.658 1.00 0.00 C ATOM 165 NH1 ARG A 49 4.131 12.874 5.942 1.00 0.00 N ATOM 166 NH2 ARG A 49 3.410 14.056 4.112 1.00 0.00 N ATOM 0 H ARG A 49 9.481 8.312 4.750 1.00 0.00 H new ATOM 0 HA ARG A 49 7.303 8.167 3.106 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.920 9.893 4.893 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.882 10.702 3.672 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.033 11.442 2.490 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.032 10.090 2.981 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.672 11.013 5.168 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.958 12.187 4.970 1.00 0.00 H new ATOM 0 HE ARG A 49 5.264 12.887 2.936 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.774 12.205 6.366 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.398 13.304 6.506 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.497 14.298 3.125 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.678 14.484 4.679 1.00 0.00 H new ATOM 180 N LYS A 50 9.861 9.540 1.506 1.00 0.00 N ATOM 181 CA LYS A 50 10.395 9.825 0.179 1.00 0.00 C ATOM 182 C LYS A 50 10.365 8.578 -0.699 1.00 0.00 C ATOM 183 O LYS A 50 9.877 8.615 -1.829 1.00 0.00 O ATOM 184 CB LYS A 50 11.828 10.353 0.285 1.00 0.00 C ATOM 185 CG LYS A 50 11.963 11.569 1.185 1.00 0.00 C ATOM 186 CD LYS A 50 13.218 12.363 0.864 1.00 0.00 C ATOM 187 CE LYS A 50 13.151 13.769 1.441 1.00 0.00 C ATOM 188 NZ LYS A 50 12.403 14.698 0.549 1.00 0.00 N ATOM 0 H LYS A 50 10.474 9.812 2.274 1.00 0.00 H new ATOM 0 HA LYS A 50 9.767 10.588 -0.282 1.00 0.00 H new ATOM 0 HB2 LYS A 50 12.472 9.559 0.663 1.00 0.00 H new ATOM 0 HB3 LYS A 50 12.187 10.608 -0.712 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.087 12.208 1.069 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.989 11.251 2.227 1.00 0.00 H new ATOM 0 HD2 LYS A 50 14.090 11.845 1.265 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.349 12.418 -0.217 1.00 0.00 H new ATOM 0 HE2 LYS A 50 12.670 13.738 2.419 1.00 0.00 H new ATOM 0 HE3 LYS A 50 14.162 14.147 1.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 12.379 15.646 0.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 12.876 14.747 -0.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.431 14.351 0.423 1.00 0.00 H new ATOM 202 N ARG A 51 10.887 7.476 -0.171 1.00 0.00 N ATOM 203 CA ARG A 51 10.919 6.218 -0.907 1.00 0.00 C ATOM 204 C ARG A 51 9.544 5.888 -1.481 1.00 0.00 C ATOM 205 O ARG A 51 9.414 5.565 -2.661 1.00 0.00 O ATOM 206 CB ARG A 51 11.390 5.082 0.003 1.00 0.00 C ATOM 207 CG ARG A 51 11.928 3.878 -0.754 1.00 0.00 C ATOM 208 CD ARG A 51 11.696 2.587 0.016 1.00 0.00 C ATOM 209 NE ARG A 51 12.216 1.424 -0.697 1.00 0.00 N ATOM 210 CZ ARG A 51 11.765 0.188 -0.514 1.00 0.00 C ATOM 211 NH1 ARG A 51 10.790 -0.044 0.354 1.00 0.00 N ATOM 212 NH2 ARG A 51 12.289 -0.819 -1.201 1.00 0.00 N ATOM 0 H ARG A 51 11.293 7.429 0.763 1.00 0.00 H new ATOM 0 HA ARG A 51 11.621 6.327 -1.733 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.167 5.459 0.668 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.559 4.763 0.632 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.444 3.814 -1.729 1.00 0.00 H new ATOM 0 HG3 ARG A 51 12.995 4.008 -0.936 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.174 2.657 0.993 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.628 2.457 0.192 1.00 0.00 H new ATOM 0 HE ARG A 51 12.967 1.568 -1.372 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.384 0.728 0.883 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.446 -0.994 0.492 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.039 -0.644 -1.870 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.942 -1.768 -1.060 1.00 0.00 H new ATOM 226 N MET A 52 8.521 5.971 -0.636 1.00 0.00 N ATOM 227 CA MET A 52 7.156 5.682 -1.060 1.00 0.00 C ATOM 228 C MET A 52 6.744 6.584 -2.219 1.00 0.00 C ATOM 229 O MET A 52 6.109 6.133 -3.171 1.00 0.00 O ATOM 230 CB MET A 52 6.188 5.861 0.111 1.00 0.00 C ATOM 231 CG MET A 52 6.475 4.939 1.284 1.00 0.00 C ATOM 232 SD MET A 52 6.383 3.195 0.836 1.00 0.00 S ATOM 233 CE MET A 52 8.072 2.886 0.327 1.00 0.00 C ATOM 0 H MET A 52 8.611 6.236 0.345 1.00 0.00 H new ATOM 0 HA MET A 52 7.118 4.647 -1.399 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.232 6.895 0.453 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.171 5.684 -0.239 1.00 0.00 H new ATOM 0 HG2 MET A 52 7.468 5.157 1.678 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.763 5.143 2.084 1.00 0.00 H new ATOM 0 HE1 MET A 52 8.411 1.939 0.747 1.00 0.00 H new ATOM 0 HE2 MET A 52 8.121 2.839 -0.761 1.00 0.00 H new ATOM 0 HE3 MET A 52 8.713 3.692 0.685 1.00 0.00 H new ATOM 243 N GLU A 53 7.109 7.859 -2.130 1.00 0.00 N ATOM 244 CA GLU A 53 6.775 8.823 -3.171 1.00 0.00 C ATOM 245 C GLU A 53 7.282 8.352 -4.531 1.00 0.00 C ATOM 246 O GLU A 53 6.558 8.399 -5.527 1.00 0.00 O ATOM 247 CB GLU A 53 7.371 10.193 -2.839 1.00 0.00 C ATOM 248 CG GLU A 53 6.880 10.767 -1.521 1.00 0.00 C ATOM 249 CD GLU A 53 7.297 12.212 -1.323 1.00 0.00 C ATOM 250 OE1 GLU A 53 7.118 13.015 -2.262 1.00 0.00 O ATOM 251 OE2 GLU A 53 7.801 12.538 -0.228 1.00 0.00 O ATOM 0 H GLU A 53 7.636 8.248 -1.348 1.00 0.00 H new ATOM 0 HA GLU A 53 5.689 8.909 -3.217 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.457 10.109 -2.807 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.129 10.889 -3.642 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.793 10.698 -1.481 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.268 10.165 -0.700 1.00 0.00 H new ATOM 258 N LYS A 54 8.530 7.899 -4.567 1.00 0.00 N ATOM 259 CA LYS A 54 9.135 7.418 -5.803 1.00 0.00 C ATOM 260 C LYS A 54 8.434 6.157 -6.298 1.00 0.00 C ATOM 261 O LYS A 54 8.050 6.067 -7.463 1.00 0.00 O ATOM 262 CB LYS A 54 10.624 7.136 -5.590 1.00 0.00 C ATOM 263 CG LYS A 54 11.364 6.777 -6.867 1.00 0.00 C ATOM 264 CD LYS A 54 11.793 8.018 -7.630 1.00 0.00 C ATOM 265 CE LYS A 54 12.976 7.731 -8.542 1.00 0.00 C ATOM 266 NZ LYS A 54 13.523 8.975 -9.151 1.00 0.00 N ATOM 0 H LYS A 54 9.143 7.855 -3.753 1.00 0.00 H new ATOM 0 HA LYS A 54 9.023 8.195 -6.559 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.091 8.014 -5.144 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.732 6.320 -4.876 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.241 6.177 -6.624 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.723 6.163 -7.500 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.957 8.389 -8.223 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.058 8.806 -6.925 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.760 7.230 -7.973 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.668 7.046 -9.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.327 8.736 -9.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.783 9.440 -9.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.841 9.619 -8.399 1.00 0.00 H new ATOM 280 N GLU A 55 8.269 5.187 -5.403 1.00 0.00 N ATOM 281 CA GLU A 55 7.612 3.933 -5.751 1.00 0.00 C ATOM 282 C GLU A 55 6.192 4.182 -6.251 1.00 0.00 C ATOM 283 O GLU A 55 5.869 3.895 -7.403 1.00 0.00 O ATOM 284 CB GLU A 55 7.582 2.995 -4.542 1.00 0.00 C ATOM 285 CG GLU A 55 8.904 2.293 -4.283 1.00 0.00 C ATOM 286 CD GLU A 55 9.202 1.214 -5.306 1.00 0.00 C ATOM 287 OE1 GLU A 55 8.246 0.564 -5.779 1.00 0.00 O ATOM 288 OE2 GLU A 55 10.391 1.019 -5.634 1.00 0.00 O ATOM 0 H GLU A 55 8.581 5.246 -4.434 1.00 0.00 H new ATOM 0 HA GLU A 55 8.183 3.464 -6.552 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.304 3.566 -3.656 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.806 2.245 -4.694 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.709 3.028 -4.291 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.887 1.850 -3.287 1.00 0.00 H new ATOM 295 N VAL A 56 5.348 4.717 -5.375 1.00 0.00 N ATOM 296 CA VAL A 56 3.963 5.006 -5.726 1.00 0.00 C ATOM 297 C VAL A 56 3.870 5.664 -7.098 1.00 0.00 C ATOM 298 O VAL A 56 3.258 5.121 -8.018 1.00 0.00 O ATOM 299 CB VAL A 56 3.299 5.924 -4.682 1.00 0.00 C ATOM 300 CG1 VAL A 56 1.875 6.261 -5.097 1.00 0.00 C ATOM 301 CG2 VAL A 56 3.322 5.271 -3.308 1.00 0.00 C ATOM 0 H VAL A 56 5.599 4.959 -4.417 1.00 0.00 H new ATOM 0 HA VAL A 56 3.436 4.052 -5.747 1.00 0.00 H new ATOM 0 HB VAL A 56 3.866 6.853 -4.627 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.422 6.910 -4.348 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.888 6.772 -6.060 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.294 5.343 -5.181 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.849 5.933 -2.583 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.779 4.326 -3.345 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.354 5.085 -3.011 1.00 0.00 H new ATOM 311 N SER A 57 4.481 6.837 -7.228 1.00 0.00 N ATOM 312 CA SER A 57 4.464 7.572 -8.488 1.00 0.00 C ATOM 313 C SER A 57 4.771 6.647 -9.661 1.00 0.00 C ATOM 314 O SER A 57 3.955 6.484 -10.568 1.00 0.00 O ATOM 315 CB SER A 57 5.478 8.717 -8.448 1.00 0.00 C ATOM 316 OG SER A 57 5.069 9.789 -9.280 1.00 0.00 O ATOM 0 H SER A 57 4.994 7.299 -6.477 1.00 0.00 H new ATOM 0 HA SER A 57 3.465 7.985 -8.626 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.592 9.071 -7.423 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.454 8.354 -8.770 1.00 0.00 H new ATOM 0 HG SER A 57 5.733 10.509 -9.236 1.00 0.00 H new ATOM 322 N ASP A 58 5.954 6.043 -9.636 1.00 0.00 N ATOM 323 CA ASP A 58 6.371 5.132 -10.696 1.00 0.00 C ATOM 324 C ASP A 58 5.214 4.236 -11.128 1.00 0.00 C ATOM 325 O ASP A 58 4.974 4.046 -12.320 1.00 0.00 O ATOM 326 CB ASP A 58 7.549 4.276 -10.228 1.00 0.00 C ATOM 327 CG ASP A 58 8.343 3.702 -11.385 1.00 0.00 C ATOM 328 OD1 ASP A 58 7.744 3.463 -12.455 1.00 0.00 O ATOM 329 OD2 ASP A 58 9.563 3.491 -11.221 1.00 0.00 O ATOM 0 H ASP A 58 6.642 6.168 -8.893 1.00 0.00 H new ATOM 0 HA ASP A 58 6.684 5.729 -11.553 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.207 4.880 -9.603 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.178 3.461 -9.606 1.00 0.00 H new ATOM 334 N PHE A 59 4.501 3.686 -10.150 1.00 0.00 N ATOM 335 CA PHE A 59 3.371 2.808 -10.429 1.00 0.00 C ATOM 336 C PHE A 59 2.265 3.561 -11.164 1.00 0.00 C ATOM 337 O PHE A 59 1.669 3.044 -12.109 1.00 0.00 O ATOM 338 CB PHE A 59 2.823 2.217 -9.128 1.00 0.00 C ATOM 339 CG PHE A 59 1.414 1.711 -9.246 1.00 0.00 C ATOM 340 CD1 PHE A 59 0.339 2.570 -9.082 1.00 0.00 C ATOM 341 CD2 PHE A 59 1.164 0.376 -9.521 1.00 0.00 C ATOM 342 CE1 PHE A 59 -0.959 2.108 -9.190 1.00 0.00 C ATOM 343 CE2 PHE A 59 -0.132 -0.092 -9.630 1.00 0.00 C ATOM 344 CZ PHE A 59 -1.194 0.775 -9.464 1.00 0.00 C ATOM 0 H PHE A 59 4.686 3.833 -9.158 1.00 0.00 H new ATOM 0 HA PHE A 59 3.722 1.998 -11.068 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.469 1.399 -8.810 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.863 2.977 -8.348 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.518 3.613 -8.867 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.991 -0.306 -9.652 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.788 2.788 -9.060 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.314 -1.135 -9.845 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.207 0.411 -9.548 1.00 0.00 H new ATOM 354 N ILE A 60 1.997 4.785 -10.721 1.00 0.00 N ATOM 355 CA ILE A 60 0.964 5.610 -11.336 1.00 0.00 C ATOM 356 C ILE A 60 1.174 5.722 -12.842 1.00 0.00 C ATOM 357 O ILE A 60 0.279 5.411 -13.628 1.00 0.00 O ATOM 358 CB ILE A 60 0.935 7.024 -10.727 1.00 0.00 C ATOM 359 CG1 ILE A 60 0.562 6.957 -9.244 1.00 0.00 C ATOM 360 CG2 ILE A 60 -0.043 7.908 -11.486 1.00 0.00 C ATOM 361 CD1 ILE A 60 0.789 8.256 -8.504 1.00 0.00 C ATOM 0 H ILE A 60 2.480 5.227 -9.939 1.00 0.00 H new ATOM 0 HA ILE A 60 0.011 5.119 -11.140 1.00 0.00 H new ATOM 0 HB ILE A 60 1.930 7.461 -10.812 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.487 6.676 -9.154 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.145 6.170 -8.766 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.052 8.904 -11.043 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.264 7.977 -12.530 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.042 7.477 -11.430 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.503 8.134 -7.459 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.843 8.529 -8.562 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.185 9.043 -8.956 1.00 0.00 H new ATOM 373 N GLN A 61 2.363 6.165 -13.237 1.00 0.00 N ATOM 374 CA GLN A 61 2.691 6.317 -14.650 1.00 0.00 C ATOM 375 C GLN A 61 2.535 4.992 -15.390 1.00 0.00 C ATOM 376 O GLN A 61 1.987 4.946 -16.491 1.00 0.00 O ATOM 377 CB GLN A 61 4.119 6.840 -14.810 1.00 0.00 C ATOM 378 CG GLN A 61 4.379 8.138 -14.064 1.00 0.00 C ATOM 379 CD GLN A 61 5.622 8.855 -14.554 1.00 0.00 C ATOM 380 OE1 GLN A 61 6.434 8.285 -15.284 1.00 0.00 O ATOM 381 NE2 GLN A 61 5.777 10.112 -14.155 1.00 0.00 N ATOM 0 H GLN A 61 3.115 6.425 -12.599 1.00 0.00 H new ATOM 0 HA GLN A 61 1.998 7.038 -15.083 1.00 0.00 H new ATOM 0 HB2 GLN A 61 4.817 6.081 -14.456 1.00 0.00 H new ATOM 0 HB3 GLN A 61 4.325 6.992 -15.870 1.00 0.00 H new ATOM 0 HG2 GLN A 61 3.517 8.796 -14.176 1.00 0.00 H new ATOM 0 HG3 GLN A 61 4.482 7.926 -13.000 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.079 10.545 -13.550 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.594 10.645 -14.453 1.00 0.00 H new ATOM 390 N ASP A 62 3.021 3.918 -14.778 1.00 0.00 N ATOM 391 CA ASP A 62 2.936 2.592 -15.378 1.00 0.00 C ATOM 392 C ASP A 62 1.484 2.213 -15.654 1.00 0.00 C ATOM 393 O ASP A 62 0.702 1.997 -14.728 1.00 0.00 O ATOM 394 CB ASP A 62 3.582 1.552 -14.462 1.00 0.00 C ATOM 395 CG ASP A 62 5.091 1.512 -14.606 1.00 0.00 C ATOM 396 OD1 ASP A 62 5.583 1.665 -15.743 1.00 0.00 O ATOM 397 OD2 ASP A 62 5.779 1.328 -13.580 1.00 0.00 O ATOM 0 H ASP A 62 3.478 3.940 -13.866 1.00 0.00 H new ATOM 0 HA ASP A 62 3.474 2.614 -16.326 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.324 1.774 -13.426 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.172 0.568 -14.688 1.00 0.00 H new ATOM 402 N SER A 63 1.131 2.135 -16.933 1.00 0.00 N ATOM 403 CA SER A 63 -0.228 1.787 -17.331 1.00 0.00 C ATOM 404 C SER A 63 -0.474 0.289 -17.173 1.00 0.00 C ATOM 405 O SER A 63 -1.398 -0.130 -16.477 1.00 0.00 O ATOM 406 CB SER A 63 -0.481 2.207 -18.780 1.00 0.00 C ATOM 407 OG SER A 63 -0.809 3.583 -18.863 1.00 0.00 O ATOM 0 H SER A 63 1.767 2.308 -17.711 1.00 0.00 H new ATOM 0 HA SER A 63 -0.919 2.322 -16.679 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.406 2.005 -19.381 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.292 1.611 -19.198 1.00 0.00 H new ATOM 0 HG SER A 63 -0.964 3.826 -19.800 1.00 0.00 H new ATOM 413 N GLY A 64 0.362 -0.513 -17.825 1.00 0.00 N ATOM 414 CA GLY A 64 0.220 -1.955 -17.745 1.00 0.00 C ATOM 415 C GLY A 64 -0.132 -2.427 -16.348 1.00 0.00 C ATOM 416 O GLY A 64 -0.964 -3.317 -16.178 1.00 0.00 O ATOM 0 H GLY A 64 1.135 -0.190 -18.407 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.554 -2.280 -18.441 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.151 -2.427 -18.061 1.00 0.00 H new ATOM 420 N GLN A 65 0.505 -1.829 -15.346 1.00 0.00 N ATOM 421 CA GLN A 65 0.257 -2.195 -13.957 1.00 0.00 C ATOM 422 C GLN A 65 -1.038 -1.568 -13.452 1.00 0.00 C ATOM 423 O GLN A 65 -1.225 -0.354 -13.536 1.00 0.00 O ATOM 424 CB GLN A 65 1.427 -1.758 -13.075 1.00 0.00 C ATOM 425 CG GLN A 65 2.705 -2.543 -13.326 1.00 0.00 C ATOM 426 CD GLN A 65 3.783 -2.245 -12.302 1.00 0.00 C ATOM 427 OE1 GLN A 65 3.794 -2.816 -11.211 1.00 0.00 O ATOM 428 NE2 GLN A 65 4.698 -1.348 -12.650 1.00 0.00 N ATOM 0 H GLN A 65 1.196 -1.089 -15.471 1.00 0.00 H new ATOM 0 HA GLN A 65 0.159 -3.279 -13.906 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.622 -0.699 -13.243 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.143 -1.867 -12.028 1.00 0.00 H new ATOM 0 HG2 GLN A 65 2.481 -3.610 -13.312 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.081 -2.309 -14.322 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.650 -0.899 -13.565 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.449 -1.108 -12.003 1.00 0.00 H new ATOM 437 N ILE A 66 -1.929 -2.403 -12.927 1.00 0.00 N ATOM 438 CA ILE A 66 -3.206 -1.929 -12.408 1.00 0.00 C ATOM 439 C ILE A 66 -3.233 -1.981 -10.884 1.00 0.00 C ATOM 440 O ILE A 66 -3.897 -1.171 -10.236 1.00 0.00 O ATOM 441 CB ILE A 66 -4.380 -2.759 -12.959 1.00 0.00 C ATOM 442 CG1 ILE A 66 -4.216 -4.232 -12.578 1.00 0.00 C ATOM 443 CG2 ILE A 66 -4.475 -2.605 -14.470 1.00 0.00 C ATOM 444 CD1 ILE A 66 -5.523 -4.992 -12.524 1.00 0.00 C ATOM 0 H ILE A 66 -1.790 -3.411 -12.850 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.316 -0.895 -12.736 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.305 -2.390 -12.517 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.555 -4.714 -13.298 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.728 -4.295 -11.605 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.310 -3.198 -14.844 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.634 -1.556 -14.720 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.549 -2.951 -14.930 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.330 -6.029 -12.248 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.179 -4.535 -11.783 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -6.003 -4.960 -13.502 1.00 0.00 H new ATOM 456 N LYS A 67 -2.505 -2.936 -10.317 1.00 0.00 N ATOM 457 CA LYS A 67 -2.441 -3.093 -8.869 1.00 0.00 C ATOM 458 C LYS A 67 -1.019 -3.408 -8.417 1.00 0.00 C ATOM 459 O LYS A 67 -0.227 -3.971 -9.173 1.00 0.00 O ATOM 460 CB LYS A 67 -3.390 -4.204 -8.413 1.00 0.00 C ATOM 461 CG LYS A 67 -3.011 -5.579 -8.934 1.00 0.00 C ATOM 462 CD LYS A 67 -4.053 -6.622 -8.565 1.00 0.00 C ATOM 463 CE LYS A 67 -3.811 -7.934 -9.296 1.00 0.00 C ATOM 464 NZ LYS A 67 -4.989 -8.841 -9.211 1.00 0.00 N ATOM 0 H LYS A 67 -1.950 -3.614 -10.839 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.748 -2.151 -8.414 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -3.409 -4.230 -7.323 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.401 -3.965 -8.744 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.901 -5.541 -10.018 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -2.043 -5.870 -8.525 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.032 -6.794 -7.489 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.047 -6.247 -8.808 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.584 -7.730 -10.342 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -2.939 -8.431 -8.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.785 -9.724 -9.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.190 -9.056 -8.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.816 -8.377 -9.639 1.00 0.00 H new ATOM 478 N LYS A 68 -0.701 -3.043 -7.180 1.00 0.00 N ATOM 479 CA LYS A 68 0.625 -3.289 -6.626 1.00 0.00 C ATOM 480 C LYS A 68 0.538 -3.649 -5.146 1.00 0.00 C ATOM 481 O LYS A 68 -0.208 -3.028 -4.388 1.00 0.00 O ATOM 482 CB LYS A 68 1.514 -2.057 -6.810 1.00 0.00 C ATOM 483 CG LYS A 68 2.864 -2.173 -6.124 1.00 0.00 C ATOM 484 CD LYS A 68 3.586 -0.836 -6.086 1.00 0.00 C ATOM 485 CE LYS A 68 5.080 -1.017 -5.867 1.00 0.00 C ATOM 486 NZ LYS A 68 5.739 -1.654 -7.041 1.00 0.00 N ATOM 0 H LYS A 68 -1.344 -2.575 -6.541 1.00 0.00 H new ATOM 0 HA LYS A 68 1.065 -4.130 -7.162 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.671 -1.888 -7.875 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.993 -1.182 -6.422 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.726 -2.542 -5.108 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.478 -2.905 -6.649 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.416 -0.303 -7.021 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.172 -0.220 -5.288 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.539 -0.047 -5.675 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.246 -1.630 -4.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.758 -1.446 -7.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.595 -2.683 -7.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.325 -1.278 -7.918 1.00 0.00 H new ATOM 500 N LYS A 69 1.306 -4.654 -4.740 1.00 0.00 N ATOM 501 CA LYS A 69 1.318 -5.096 -3.350 1.00 0.00 C ATOM 502 C LYS A 69 2.612 -4.678 -2.658 1.00 0.00 C ATOM 503 O LYS A 69 3.670 -4.616 -3.284 1.00 0.00 O ATOM 504 CB LYS A 69 1.155 -6.616 -3.275 1.00 0.00 C ATOM 505 CG LYS A 69 1.180 -7.160 -1.857 1.00 0.00 C ATOM 506 CD LYS A 69 1.378 -8.667 -1.842 1.00 0.00 C ATOM 507 CE LYS A 69 2.031 -9.130 -0.549 1.00 0.00 C ATOM 508 NZ LYS A 69 3.431 -8.637 -0.428 1.00 0.00 N ATOM 0 H LYS A 69 1.929 -5.179 -5.354 1.00 0.00 H new ATOM 0 HA LYS A 69 0.482 -4.622 -2.836 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.213 -6.896 -3.746 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.952 -7.088 -3.850 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.983 -6.681 -1.296 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.246 -6.910 -1.354 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.415 -9.163 -1.962 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.997 -8.962 -2.689 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.447 -8.776 0.300 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.025 -10.219 -0.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.970 -9.273 0.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.874 -8.615 -1.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.428 -7.678 -0.024 1.00 0.00 H new ATOM 522 N PHE A 70 2.519 -4.392 -1.364 1.00 0.00 N ATOM 523 CA PHE A 70 3.683 -3.981 -0.587 1.00 0.00 C ATOM 524 C PHE A 70 3.953 -4.963 0.549 1.00 0.00 C ATOM 525 O PHE A 70 3.132 -5.832 0.840 1.00 0.00 O ATOM 526 CB PHE A 70 3.473 -2.575 -0.021 1.00 0.00 C ATOM 527 CG PHE A 70 3.624 -1.487 -1.046 1.00 0.00 C ATOM 528 CD1 PHE A 70 4.881 -1.081 -1.465 1.00 0.00 C ATOM 529 CD2 PHE A 70 2.509 -0.871 -1.590 1.00 0.00 C ATOM 530 CE1 PHE A 70 5.023 -0.081 -2.408 1.00 0.00 C ATOM 531 CE2 PHE A 70 2.645 0.129 -2.535 1.00 0.00 C ATOM 532 CZ PHE A 70 3.904 0.526 -2.943 1.00 0.00 C ATOM 0 H PHE A 70 1.650 -4.437 -0.831 1.00 0.00 H new ATOM 0 HA PHE A 70 4.548 -3.974 -1.250 1.00 0.00 H new ATOM 0 HB2 PHE A 70 2.477 -2.514 0.418 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.188 -2.406 0.785 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.760 -1.552 -1.050 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.523 -1.175 -1.272 1.00 0.00 H new ATOM 0 HE1 PHE A 70 6.008 0.226 -2.726 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.768 0.600 -2.954 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.013 1.309 -3.679 1.00 0.00 H new ATOM 542 N GLN A 71 5.111 -4.817 1.186 1.00 0.00 N ATOM 543 CA GLN A 71 5.491 -5.692 2.289 1.00 0.00 C ATOM 544 C GLN A 71 5.556 -4.918 3.601 1.00 0.00 C ATOM 545 O GLN A 71 6.039 -3.787 3.659 1.00 0.00 O ATOM 546 CB GLN A 71 6.842 -6.350 2.003 1.00 0.00 C ATOM 547 CG GLN A 71 6.782 -7.421 0.926 1.00 0.00 C ATOM 548 CD GLN A 71 8.152 -7.794 0.396 1.00 0.00 C ATOM 549 OE1 GLN A 71 8.555 -8.956 0.447 1.00 0.00 O ATOM 550 NE2 GLN A 71 8.878 -6.807 -0.116 1.00 0.00 N ATOM 0 H GLN A 71 5.801 -4.102 0.957 1.00 0.00 H new ATOM 0 HA GLN A 71 4.730 -6.467 2.384 1.00 0.00 H new ATOM 0 HB2 GLN A 71 7.554 -5.582 1.700 1.00 0.00 H new ATOM 0 HB3 GLN A 71 7.223 -6.793 2.923 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.299 -8.310 1.330 1.00 0.00 H new ATOM 0 HG3 GLN A 71 6.162 -7.068 0.102 1.00 0.00 H new ATOM 0 HE21 GLN A 71 8.505 -5.858 -0.138 1.00 0.00 H new ATOM 0 HE22 GLN A 71 9.809 -6.998 -0.487 1.00 0.00 H new ATOM 559 N PRO A 72 5.058 -5.538 4.681 1.00 0.00 N ATOM 560 CA PRO A 72 5.049 -4.925 6.012 1.00 0.00 C ATOM 561 C PRO A 72 6.449 -4.805 6.605 1.00 0.00 C ATOM 562 O PRO A 72 6.853 -5.619 7.435 1.00 0.00 O ATOM 563 CB PRO A 72 4.198 -5.890 6.841 1.00 0.00 C ATOM 564 CG PRO A 72 4.331 -7.203 6.149 1.00 0.00 C ATOM 565 CD PRO A 72 4.467 -6.887 4.685 1.00 0.00 C ATOM 0 HA PRO A 72 4.662 -3.906 5.989 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.553 -5.947 7.870 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.158 -5.567 6.880 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.201 -7.750 6.513 1.00 0.00 H new ATOM 0 HG3 PRO A 72 3.460 -7.831 6.333 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.107 -7.608 4.176 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.502 -6.904 4.179 1.00 0.00 H new ATOM 573 N MET A 73 7.184 -3.785 6.174 1.00 0.00 N ATOM 574 CA MET A 73 8.538 -3.559 6.664 1.00 0.00 C ATOM 575 C MET A 73 8.516 -2.987 8.079 1.00 0.00 C ATOM 576 O MET A 73 9.299 -3.394 8.935 1.00 0.00 O ATOM 577 CB MET A 73 9.290 -2.609 5.730 1.00 0.00 C ATOM 578 CG MET A 73 9.890 -3.300 4.516 1.00 0.00 C ATOM 579 SD MET A 73 8.743 -3.386 3.127 1.00 0.00 S ATOM 580 CE MET A 73 8.584 -1.651 2.712 1.00 0.00 C ATOM 0 H MET A 73 6.865 -3.102 5.487 1.00 0.00 H new ATOM 0 HA MET A 73 9.054 -4.519 6.686 1.00 0.00 H new ATOM 0 HB2 MET A 73 8.608 -1.828 5.393 1.00 0.00 H new ATOM 0 HB3 MET A 73 10.086 -2.118 6.289 1.00 0.00 H new ATOM 0 HG2 MET A 73 10.789 -2.767 4.207 1.00 0.00 H new ATOM 0 HG3 MET A 73 10.197 -4.309 4.792 1.00 0.00 H new ATOM 0 HE1 MET A 73 8.707 -1.521 1.637 1.00 0.00 H new ATOM 0 HE2 MET A 73 7.598 -1.294 3.010 1.00 0.00 H new ATOM 0 HE3 MET A 73 9.350 -1.080 3.236 1.00 0.00 H new ATOM 590 N ASN A 74 7.613 -2.041 8.315 1.00 0.00 N ATOM 591 CA ASN A 74 7.490 -1.413 9.626 1.00 0.00 C ATOM 592 C ASN A 74 6.046 -1.455 10.116 1.00 0.00 C ATOM 593 O ASN A 74 5.154 -1.936 9.415 1.00 0.00 O ATOM 594 CB ASN A 74 7.978 0.036 9.568 1.00 0.00 C ATOM 595 CG ASN A 74 9.466 0.156 9.834 1.00 0.00 C ATOM 596 OD1 ASN A 74 9.883 0.697 10.858 1.00 0.00 O ATOM 597 ND2 ASN A 74 10.275 -0.348 8.909 1.00 0.00 N ATOM 0 H ASN A 74 6.956 -1.693 7.617 1.00 0.00 H new ATOM 0 HA ASN A 74 8.110 -1.971 10.328 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.752 0.454 8.587 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.432 0.630 10.301 1.00 0.00 H new ATOM 0 HD21 ASN A 74 11.286 -0.295 9.032 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.885 -0.788 8.075 1.00 0.00 H new ATOM 604 N LYS A 75 5.822 -0.949 11.324 1.00 0.00 N ATOM 605 CA LYS A 75 4.486 -0.927 11.909 1.00 0.00 C ATOM 606 C LYS A 75 3.785 0.395 11.614 1.00 0.00 C ATOM 607 O LYS A 75 2.556 0.472 11.627 1.00 0.00 O ATOM 608 CB LYS A 75 4.566 -1.148 13.421 1.00 0.00 C ATOM 609 CG LYS A 75 4.474 -2.608 13.828 1.00 0.00 C ATOM 610 CD LYS A 75 5.838 -3.278 13.813 1.00 0.00 C ATOM 611 CE LYS A 75 6.139 -3.901 12.459 1.00 0.00 C ATOM 612 NZ LYS A 75 7.308 -4.821 12.518 1.00 0.00 N ATOM 0 H LYS A 75 6.549 -0.548 11.917 1.00 0.00 H new ATOM 0 HA LYS A 75 3.906 -1.733 11.460 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.504 -0.735 13.791 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.761 -0.594 13.904 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.042 -2.682 14.826 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.802 -3.134 13.150 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.607 -2.545 14.056 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.875 -4.047 14.585 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.264 -4.448 12.109 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.334 -3.113 11.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.480 -5.225 11.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.149 -4.294 12.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.112 -5.588 13.193 1.00 0.00 H new ATOM 626 N ILE A 76 4.573 1.431 11.347 1.00 0.00 N ATOM 627 CA ILE A 76 4.027 2.748 11.046 1.00 0.00 C ATOM 628 C ILE A 76 3.925 2.971 9.541 1.00 0.00 C ATOM 629 O ILE A 76 3.051 3.697 9.069 1.00 0.00 O ATOM 630 CB ILE A 76 4.886 3.868 11.662 1.00 0.00 C ATOM 631 CG1 ILE A 76 5.030 3.659 13.171 1.00 0.00 C ATOM 632 CG2 ILE A 76 4.273 5.229 11.367 1.00 0.00 C ATOM 633 CD1 ILE A 76 3.711 3.677 13.912 1.00 0.00 C ATOM 0 H ILE A 76 5.592 1.383 11.333 1.00 0.00 H new ATOM 0 HA ILE A 76 3.030 2.783 11.484 1.00 0.00 H new ATOM 0 HB ILE A 76 5.878 3.833 11.213 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.526 2.705 13.352 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.676 4.437 13.577 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.892 6.010 11.809 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.217 5.377 10.289 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.270 5.276 11.792 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.889 3.523 14.976 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.222 4.640 13.762 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.070 2.881 13.533 1.00 0.00 H new ATOM 645 N GLU A 77 4.823 2.338 8.793 1.00 0.00 N ATOM 646 CA GLU A 77 4.833 2.466 7.340 1.00 0.00 C ATOM 647 C GLU A 77 3.412 2.500 6.787 1.00 0.00 C ATOM 648 O GLU A 77 3.154 3.104 5.746 1.00 0.00 O ATOM 649 CB GLU A 77 5.610 1.309 6.709 1.00 0.00 C ATOM 650 CG GLU A 77 4.928 -0.039 6.867 1.00 0.00 C ATOM 651 CD GLU A 77 5.229 -0.983 5.718 1.00 0.00 C ATOM 652 OE1 GLU A 77 6.373 -0.961 5.218 1.00 0.00 O ATOM 653 OE2 GLU A 77 4.321 -1.742 5.320 1.00 0.00 O ATOM 0 H GLU A 77 5.552 1.732 9.168 1.00 0.00 H new ATOM 0 HA GLU A 77 5.325 3.405 7.087 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.751 1.513 5.648 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.602 1.260 7.159 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.249 -0.497 7.802 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.850 0.109 6.938 1.00 0.00 H new ATOM 660 N ARG A 78 2.493 1.847 7.492 1.00 0.00 N ATOM 661 CA ARG A 78 1.098 1.801 7.071 1.00 0.00 C ATOM 662 C ARG A 78 0.516 3.207 6.962 1.00 0.00 C ATOM 663 O ARG A 78 0.004 3.598 5.912 1.00 0.00 O ATOM 664 CB ARG A 78 0.273 0.971 8.057 1.00 0.00 C ATOM 665 CG ARG A 78 0.241 -0.512 7.727 1.00 0.00 C ATOM 666 CD ARG A 78 -0.941 -0.858 6.835 1.00 0.00 C ATOM 667 NE ARG A 78 -2.210 -0.430 7.416 1.00 0.00 N ATOM 668 CZ ARG A 78 -2.758 -0.999 8.484 1.00 0.00 C ATOM 669 NH1 ARG A 78 -2.151 -2.014 9.084 1.00 0.00 N ATOM 670 NH2 ARG A 78 -3.916 -0.553 8.954 1.00 0.00 N ATOM 0 H ARG A 78 2.690 1.343 8.357 1.00 0.00 H new ATOM 0 HA ARG A 78 1.057 1.332 6.088 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.680 1.103 9.059 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -0.748 1.353 8.075 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.169 -0.796 7.230 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.184 -1.090 8.649 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.811 -0.386 5.861 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.965 -1.935 6.666 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.703 0.348 6.978 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.261 -2.360 8.726 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.574 -2.449 9.904 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.386 0.227 8.495 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.336 -0.991 9.774 1.00 0.00 H new ATOM 684 N SER A 79 0.598 3.962 8.052 1.00 0.00 N ATOM 685 CA SER A 79 0.075 5.323 8.080 1.00 0.00 C ATOM 686 C SER A 79 0.854 6.224 7.125 1.00 0.00 C ATOM 687 O SER A 79 0.272 7.047 6.419 1.00 0.00 O ATOM 688 CB SER A 79 0.142 5.889 9.500 1.00 0.00 C ATOM 689 OG SER A 79 -0.652 7.056 9.622 1.00 0.00 O ATOM 0 H SER A 79 1.022 3.655 8.928 1.00 0.00 H new ATOM 0 HA SER A 79 -0.966 5.292 7.757 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.200 5.137 10.211 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.176 6.121 9.754 1.00 0.00 H new ATOM 0 HG SER A 79 -0.593 7.397 10.539 1.00 0.00 H new ATOM 695 N ILE A 80 2.172 6.060 7.111 1.00 0.00 N ATOM 696 CA ILE A 80 3.031 6.856 6.243 1.00 0.00 C ATOM 697 C ILE A 80 2.692 6.627 4.774 1.00 0.00 C ATOM 698 O ILE A 80 2.272 7.547 4.071 1.00 0.00 O ATOM 699 CB ILE A 80 4.519 6.532 6.472 1.00 0.00 C ATOM 700 CG1 ILE A 80 4.867 6.652 7.957 1.00 0.00 C ATOM 701 CG2 ILE A 80 5.396 7.455 5.640 1.00 0.00 C ATOM 702 CD1 ILE A 80 6.084 5.849 8.359 1.00 0.00 C ATOM 0 H ILE A 80 2.669 5.383 7.691 1.00 0.00 H new ATOM 0 HA ILE A 80 2.853 7.901 6.496 1.00 0.00 H new ATOM 0 HB ILE A 80 4.705 5.505 6.157 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.038 7.701 8.198 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.013 6.324 8.550 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.445 7.214 5.813 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.163 7.324 4.583 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.210 8.490 5.927 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.272 5.981 9.425 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.909 4.794 8.150 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.950 6.192 7.793 1.00 0.00 H new ATOM 714 N LEU A 81 2.875 5.394 4.316 1.00 0.00 N ATOM 715 CA LEU A 81 2.587 5.041 2.930 1.00 0.00 C ATOM 716 C LEU A 81 1.169 5.453 2.547 1.00 0.00 C ATOM 717 O LEU A 81 0.933 5.959 1.450 1.00 0.00 O ATOM 718 CB LEU A 81 2.769 3.537 2.717 1.00 0.00 C ATOM 719 CG LEU A 81 2.254 2.981 1.389 1.00 0.00 C ATOM 720 CD1 LEU A 81 2.877 3.727 0.220 1.00 0.00 C ATOM 721 CD2 LEU A 81 2.543 1.490 1.288 1.00 0.00 C ATOM 0 H LEU A 81 3.222 4.621 4.884 1.00 0.00 H new ATOM 0 HA LEU A 81 3.287 5.579 2.291 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.831 3.305 2.798 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.265 3.012 3.528 1.00 0.00 H new ATOM 0 HG LEU A 81 1.174 3.125 1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.498 3.317 -0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.619 4.784 0.284 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.961 3.615 0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.170 1.111 0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.618 1.323 1.349 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.048 0.967 2.106 1.00 0.00 H new ATOM 733 N HIS A 82 0.228 5.234 3.460 1.00 0.00 N ATOM 734 CA HIS A 82 -1.168 5.585 3.219 1.00 0.00 C ATOM 735 C HIS A 82 -1.300 7.057 2.841 1.00 0.00 C ATOM 736 O HIS A 82 -2.007 7.404 1.895 1.00 0.00 O ATOM 737 CB HIS A 82 -2.012 5.286 4.459 1.00 0.00 C ATOM 738 CG HIS A 82 -2.592 3.905 4.470 1.00 0.00 C ATOM 739 ND1 HIS A 82 -3.318 3.385 3.419 1.00 0.00 N ATOM 740 CD2 HIS A 82 -2.548 2.934 5.412 1.00 0.00 C ATOM 741 CE1 HIS A 82 -3.697 2.155 3.715 1.00 0.00 C ATOM 742 NE2 HIS A 82 -3.242 1.857 4.919 1.00 0.00 N ATOM 0 H HIS A 82 0.406 4.815 4.373 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.531 4.981 2.388 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -1.396 5.420 5.348 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -2.823 6.012 4.520 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -2.058 2.995 6.373 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -4.280 1.504 3.081 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -3.383 0.971 5.404 1.00 0.00 H new ATOM 750 N ASP A 83 -0.617 7.918 3.588 1.00 0.00 N ATOM 751 CA ASP A 83 -0.658 9.353 3.331 1.00 0.00 C ATOM 752 C ASP A 83 -0.102 9.674 1.947 1.00 0.00 C ATOM 753 O ASP A 83 -0.670 10.478 1.209 1.00 0.00 O ATOM 754 CB ASP A 83 0.133 10.107 4.400 1.00 0.00 C ATOM 755 CG ASP A 83 -0.377 11.519 4.610 1.00 0.00 C ATOM 756 OD1 ASP A 83 -0.583 12.230 3.605 1.00 0.00 O ATOM 757 OD2 ASP A 83 -0.569 11.913 5.780 1.00 0.00 O ATOM 0 H ASP A 83 -0.029 7.647 4.376 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.699 9.674 3.367 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.078 9.560 5.341 1.00 0.00 H new ATOM 0 HB3 ASP A 83 1.184 10.142 4.113 1.00 0.00 H new ATOM 762 N VAL A 84 1.015 9.039 1.603 1.00 0.00 N ATOM 763 CA VAL A 84 1.649 9.257 0.308 1.00 0.00 C ATOM 764 C VAL A 84 0.717 8.866 -0.833 1.00 0.00 C ATOM 765 O VAL A 84 0.667 9.535 -1.865 1.00 0.00 O ATOM 766 CB VAL A 84 2.959 8.456 0.183 1.00 0.00 C ATOM 767 CG1 VAL A 84 3.570 8.644 -1.197 1.00 0.00 C ATOM 768 CG2 VAL A 84 3.940 8.867 1.270 1.00 0.00 C ATOM 0 H VAL A 84 1.499 8.370 2.203 1.00 0.00 H new ATOM 0 HA VAL A 84 1.874 10.321 0.241 1.00 0.00 H new ATOM 0 HB VAL A 84 2.732 7.398 0.312 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.495 8.071 -1.267 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.869 8.296 -1.956 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.785 9.700 -1.359 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.860 8.291 1.167 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.164 9.929 1.175 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.500 8.675 2.249 1.00 0.00 H new ATOM 778 N VAL A 85 -0.022 7.778 -0.641 1.00 0.00 N ATOM 779 CA VAL A 85 -0.955 7.298 -1.653 1.00 0.00 C ATOM 780 C VAL A 85 -2.139 8.246 -1.802 1.00 0.00 C ATOM 781 O VAL A 85 -2.377 8.792 -2.879 1.00 0.00 O ATOM 782 CB VAL A 85 -1.478 5.890 -1.312 1.00 0.00 C ATOM 783 CG1 VAL A 85 -2.487 5.428 -2.353 1.00 0.00 C ATOM 784 CG2 VAL A 85 -0.324 4.905 -1.202 1.00 0.00 C ATOM 0 H VAL A 85 0.008 7.212 0.207 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.407 7.255 -2.594 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.982 5.933 -0.347 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.845 4.431 -2.095 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.328 6.121 -2.377 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.011 5.400 -3.333 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.712 3.915 -0.961 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.211 4.864 -2.151 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.357 5.229 -0.415 1.00 0.00 H new ATOM 794 N GLU A 86 -2.878 8.437 -0.714 1.00 0.00 N ATOM 795 CA GLU A 86 -4.039 9.320 -0.725 1.00 0.00 C ATOM 796 C GLU A 86 -3.706 10.649 -1.398 1.00 0.00 C ATOM 797 O GLU A 86 -4.537 11.230 -2.095 1.00 0.00 O ATOM 798 CB GLU A 86 -4.531 9.569 0.702 1.00 0.00 C ATOM 799 CG GLU A 86 -3.710 10.600 1.458 1.00 0.00 C ATOM 800 CD GLU A 86 -4.416 11.111 2.700 1.00 0.00 C ATOM 801 OE1 GLU A 86 -4.832 10.277 3.532 1.00 0.00 O ATOM 802 OE2 GLU A 86 -4.551 12.344 2.840 1.00 0.00 O ATOM 0 H GLU A 86 -2.694 7.993 0.186 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.829 8.831 -1.295 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.569 9.899 0.667 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.514 8.628 1.253 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -2.754 10.160 1.743 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -3.491 11.439 0.798 1.00 0.00 H new ATOM 809 N VAL A 87 -2.483 11.123 -1.185 1.00 0.00 N ATOM 810 CA VAL A 87 -2.038 12.382 -1.771 1.00 0.00 C ATOM 811 C VAL A 87 -1.801 12.237 -3.270 1.00 0.00 C ATOM 812 O VAL A 87 -2.170 13.111 -4.054 1.00 0.00 O ATOM 813 CB VAL A 87 -0.744 12.886 -1.104 1.00 0.00 C ATOM 814 CG1 VAL A 87 -0.243 14.145 -1.794 1.00 0.00 C ATOM 815 CG2 VAL A 87 -0.973 13.137 0.379 1.00 0.00 C ATOM 0 H VAL A 87 -1.782 10.654 -0.611 1.00 0.00 H new ATOM 0 HA VAL A 87 -2.832 13.109 -1.600 1.00 0.00 H new ATOM 0 HB VAL A 87 0.021 12.116 -1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.672 14.486 -1.309 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.039 13.928 -2.843 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.002 14.924 -1.726 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.049 13.493 0.835 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.752 13.889 0.505 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.282 12.210 0.861 1.00 0.00 H new ATOM 825 N ALA A 88 -1.183 11.128 -3.661 1.00 0.00 N ATOM 826 CA ALA A 88 -0.898 10.866 -5.066 1.00 0.00 C ATOM 827 C ALA A 88 -2.186 10.678 -5.861 1.00 0.00 C ATOM 828 O ALA A 88 -2.252 11.012 -7.043 1.00 0.00 O ATOM 829 CB ALA A 88 -0.006 9.642 -5.205 1.00 0.00 C ATOM 0 H ALA A 88 -0.870 10.396 -3.024 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.374 11.731 -5.472 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.198 9.459 -6.260 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.933 9.814 -4.678 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.509 8.775 -4.777 1.00 0.00 H new ATOM 835 N GLY A 89 -3.209 10.140 -5.204 1.00 0.00 N ATOM 836 CA GLY A 89 -4.481 9.916 -5.866 1.00 0.00 C ATOM 837 C GLY A 89 -4.712 8.456 -6.199 1.00 0.00 C ATOM 838 O GLY A 89 -5.239 8.130 -7.263 1.00 0.00 O ATOM 0 H GLY A 89 -3.180 9.855 -4.225 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.288 10.271 -5.225 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.519 10.505 -6.782 1.00 0.00 H new ATOM 842 N LEU A 90 -4.315 7.573 -5.289 1.00 0.00 N ATOM 843 CA LEU A 90 -4.480 6.138 -5.492 1.00 0.00 C ATOM 844 C LEU A 90 -5.206 5.501 -4.311 1.00 0.00 C ATOM 845 O LEU A 90 -5.272 6.076 -3.225 1.00 0.00 O ATOM 846 CB LEU A 90 -3.117 5.471 -5.688 1.00 0.00 C ATOM 847 CG LEU A 90 -2.370 5.834 -6.971 1.00 0.00 C ATOM 848 CD1 LEU A 90 -0.968 5.245 -6.958 1.00 0.00 C ATOM 849 CD2 LEU A 90 -3.141 5.354 -8.192 1.00 0.00 C ATOM 0 H LEU A 90 -3.877 7.826 -4.403 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.083 5.989 -6.388 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.484 5.727 -4.838 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.257 4.390 -5.667 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.285 6.919 -7.024 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.452 5.514 -7.879 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.416 5.639 -6.105 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.030 4.160 -6.881 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.594 5.621 -9.096 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.258 4.271 -8.146 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.124 5.825 -8.210 1.00 0.00 H new ATOM 861 N THR A 91 -5.747 4.307 -4.531 1.00 0.00 N ATOM 862 CA THR A 91 -6.467 3.590 -3.485 1.00 0.00 C ATOM 863 C THR A 91 -5.538 2.655 -2.720 1.00 0.00 C ATOM 864 O THR A 91 -4.677 2.001 -3.309 1.00 0.00 O ATOM 865 CB THR A 91 -7.635 2.772 -4.067 1.00 0.00 C ATOM 866 OG1 THR A 91 -8.519 3.631 -4.797 1.00 0.00 O ATOM 867 CG2 THR A 91 -8.405 2.065 -2.962 1.00 0.00 C ATOM 0 H THR A 91 -5.700 3.816 -5.424 1.00 0.00 H new ATOM 0 HA THR A 91 -6.864 4.341 -2.802 1.00 0.00 H new ATOM 0 HB THR A 91 -7.223 2.019 -4.739 1.00 0.00 H new ATOM 0 HG1 THR A 91 -9.258 3.103 -5.165 1.00 0.00 H new ATOM 0 HG21 THR A 91 -9.225 1.494 -3.398 1.00 0.00 H new ATOM 0 HG22 THR A 91 -7.737 1.390 -2.427 1.00 0.00 H new ATOM 0 HG23 THR A 91 -8.806 2.804 -2.268 1.00 0.00 H new ATOM 875 N SER A 92 -5.719 2.595 -1.405 1.00 0.00 N ATOM 876 CA SER A 92 -4.894 1.741 -0.558 1.00 0.00 C ATOM 877 C SER A 92 -5.759 0.927 0.400 1.00 0.00 C ATOM 878 O SER A 92 -6.908 1.279 0.669 1.00 0.00 O ATOM 879 CB SER A 92 -3.893 2.585 0.233 1.00 0.00 C ATOM 880 OG SER A 92 -2.733 1.836 0.551 1.00 0.00 O ATOM 0 H SER A 92 -6.429 3.127 -0.903 1.00 0.00 H new ATOM 0 HA SER A 92 -4.348 1.052 -1.202 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.614 3.464 -0.348 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.360 2.944 1.150 1.00 0.00 H new ATOM 0 HG SER A 92 -2.822 0.928 0.194 1.00 0.00 H new ATOM 886 N PHE A 93 -5.199 -0.163 0.912 1.00 0.00 N ATOM 887 CA PHE A 93 -5.918 -1.029 1.839 1.00 0.00 C ATOM 888 C PHE A 93 -4.948 -1.883 2.650 1.00 0.00 C ATOM 889 O PHE A 93 -3.754 -1.935 2.355 1.00 0.00 O ATOM 890 CB PHE A 93 -6.893 -1.930 1.078 1.00 0.00 C ATOM 891 CG PHE A 93 -8.174 -1.242 0.700 1.00 0.00 C ATOM 892 CD1 PHE A 93 -8.984 -0.675 1.671 1.00 0.00 C ATOM 893 CD2 PHE A 93 -8.568 -1.162 -0.626 1.00 0.00 C ATOM 894 CE1 PHE A 93 -10.163 -0.042 1.326 1.00 0.00 C ATOM 895 CE2 PHE A 93 -9.746 -0.531 -0.977 1.00 0.00 C ATOM 896 CZ PHE A 93 -10.544 0.031 0.000 1.00 0.00 C ATOM 0 H PHE A 93 -4.249 -0.468 0.701 1.00 0.00 H new ATOM 0 HA PHE A 93 -6.479 -0.396 2.526 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.406 -2.297 0.174 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -7.125 -2.801 1.691 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -8.691 -0.728 2.709 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -7.947 -1.598 -1.394 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -10.786 0.395 2.092 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -10.042 -0.477 -2.014 1.00 0.00 H new ATOM 0 HZ PHE A 93 -11.464 0.527 -0.272 1.00 0.00 H new ATOM 906 N SER A 94 -5.470 -2.550 3.675 1.00 0.00 N ATOM 907 CA SER A 94 -4.650 -3.398 4.532 1.00 0.00 C ATOM 908 C SER A 94 -5.186 -4.826 4.557 1.00 0.00 C ATOM 909 O SER A 94 -6.362 -5.054 4.841 1.00 0.00 O ATOM 910 CB SER A 94 -4.607 -2.832 5.953 1.00 0.00 C ATOM 911 OG SER A 94 -3.795 -3.632 6.796 1.00 0.00 O ATOM 0 H SER A 94 -6.457 -2.519 3.932 1.00 0.00 H new ATOM 0 HA SER A 94 -3.639 -3.416 4.124 1.00 0.00 H new ATOM 0 HB2 SER A 94 -4.220 -1.813 5.931 1.00 0.00 H new ATOM 0 HB3 SER A 94 -5.618 -2.781 6.358 1.00 0.00 H new ATOM 0 HG SER A 94 -3.908 -3.346 7.726 1.00 0.00 H new ATOM 917 N PHE A 95 -4.316 -5.783 4.257 1.00 0.00 N ATOM 918 CA PHE A 95 -4.701 -7.190 4.243 1.00 0.00 C ATOM 919 C PHE A 95 -3.540 -8.076 4.685 1.00 0.00 C ATOM 920 O PHE A 95 -2.454 -8.029 4.108 1.00 0.00 O ATOM 921 CB PHE A 95 -5.166 -7.600 2.844 1.00 0.00 C ATOM 922 CG PHE A 95 -6.214 -6.690 2.270 1.00 0.00 C ATOM 923 CD1 PHE A 95 -7.503 -6.691 2.777 1.00 0.00 C ATOM 924 CD2 PHE A 95 -5.909 -5.833 1.225 1.00 0.00 C ATOM 925 CE1 PHE A 95 -8.470 -5.855 2.250 1.00 0.00 C ATOM 926 CE2 PHE A 95 -6.872 -4.995 0.694 1.00 0.00 C ATOM 927 CZ PHE A 95 -8.154 -5.005 1.209 1.00 0.00 C ATOM 0 H PHE A 95 -3.339 -5.611 4.020 1.00 0.00 H new ATOM 0 HA PHE A 95 -5.524 -7.322 4.945 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -4.306 -7.618 2.175 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.560 -8.615 2.884 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.755 -7.352 3.593 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.908 -5.819 0.821 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -9.472 -5.867 2.653 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.622 -4.333 -0.122 1.00 0.00 H new ATOM 0 HZ PHE A 95 -8.907 -4.349 0.798 1.00 0.00 H new ATOM 937 N GLY A 96 -3.778 -8.883 5.715 1.00 0.00 N ATOM 938 CA GLY A 96 -2.743 -9.768 6.218 1.00 0.00 C ATOM 939 C GLY A 96 -3.274 -11.146 6.558 1.00 0.00 C ATOM 940 O GLY A 96 -4.452 -11.303 6.876 1.00 0.00 O ATOM 0 H GLY A 96 -4.668 -8.940 6.210 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.954 -9.860 5.472 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.292 -9.326 7.107 1.00 0.00 H new ATOM 944 N GLU A 97 -2.403 -12.148 6.488 1.00 0.00 N ATOM 945 CA GLU A 97 -2.793 -13.521 6.788 1.00 0.00 C ATOM 946 C GLU A 97 -3.010 -13.709 8.287 1.00 0.00 C ATOM 947 O GLU A 97 -3.942 -14.395 8.708 1.00 0.00 O ATOM 948 CB GLU A 97 -1.727 -14.498 6.289 1.00 0.00 C ATOM 949 CG GLU A 97 -1.412 -14.353 4.810 1.00 0.00 C ATOM 950 CD GLU A 97 -0.017 -14.834 4.460 1.00 0.00 C ATOM 951 OE1 GLU A 97 0.956 -14.293 5.025 1.00 0.00 O ATOM 952 OE2 GLU A 97 0.101 -15.752 3.621 1.00 0.00 O ATOM 0 H GLU A 97 -1.424 -12.035 6.226 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.732 -13.726 6.274 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -0.812 -14.349 6.863 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.062 -15.517 6.482 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.143 -14.917 4.230 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -1.514 -13.307 4.522 1.00 0.00 H new ATOM 959 N ASP A 98 -2.144 -13.096 9.086 1.00 0.00 N ATOM 960 CA ASP A 98 -2.240 -13.195 10.537 1.00 0.00 C ATOM 961 C ASP A 98 -2.320 -11.811 11.172 1.00 0.00 C ATOM 962 O ASP A 98 -1.791 -10.838 10.634 1.00 0.00 O ATOM 963 CB ASP A 98 -1.039 -13.959 11.098 1.00 0.00 C ATOM 964 CG ASP A 98 -1.333 -14.593 12.444 1.00 0.00 C ATOM 965 OD1 ASP A 98 -2.523 -14.821 12.744 1.00 0.00 O ATOM 966 OD2 ASP A 98 -0.373 -14.860 13.196 1.00 0.00 O ATOM 0 H ASP A 98 -1.367 -12.525 8.753 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.153 -13.739 10.780 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -0.743 -14.734 10.391 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -0.193 -13.279 11.197 1.00 0.00 H new ATOM 971 N ASP A 99 -2.986 -11.729 12.319 1.00 0.00 N ATOM 972 CA ASP A 99 -3.136 -10.464 13.028 1.00 0.00 C ATOM 973 C ASP A 99 -1.793 -9.753 13.161 1.00 0.00 C ATOM 974 O ASP A 99 -1.704 -8.536 12.996 1.00 0.00 O ATOM 975 CB ASP A 99 -3.742 -10.698 14.412 1.00 0.00 C ATOM 976 CG ASP A 99 -2.768 -11.360 15.366 1.00 0.00 C ATOM 977 OD1 ASP A 99 -2.232 -12.434 15.018 1.00 0.00 O ATOM 978 OD2 ASP A 99 -2.540 -10.804 16.461 1.00 0.00 O ATOM 0 H ASP A 99 -3.431 -12.524 12.777 1.00 0.00 H new ATOM 0 HA ASP A 99 -3.807 -9.830 12.449 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.064 -9.744 14.830 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -4.631 -11.321 14.315 1.00 0.00 H new ATOM 983 N ASP A 100 -0.751 -10.520 13.462 1.00 0.00 N ATOM 984 CA ASP A 100 0.588 -9.964 13.617 1.00 0.00 C ATOM 985 C ASP A 100 1.139 -9.489 12.277 1.00 0.00 C ATOM 986 O ASP A 100 1.755 -8.426 12.189 1.00 0.00 O ATOM 987 CB ASP A 100 1.528 -11.005 14.229 1.00 0.00 C ATOM 988 CG ASP A 100 1.378 -11.108 15.734 1.00 0.00 C ATOM 989 OD1 ASP A 100 1.849 -10.193 16.441 1.00 0.00 O ATOM 990 OD2 ASP A 100 0.788 -12.103 16.204 1.00 0.00 O ATOM 0 H ASP A 100 -0.808 -11.529 13.604 1.00 0.00 H new ATOM 0 HA ASP A 100 0.522 -9.106 14.286 1.00 0.00 H new ATOM 0 HB2 ASP A 100 1.329 -11.978 13.780 1.00 0.00 H new ATOM 0 HB3 ASP A 100 2.559 -10.746 13.987 1.00 0.00 H new ATOM 995 N CYS A 101 0.914 -10.283 11.236 1.00 0.00 N ATOM 996 CA CYS A 101 1.389 -9.945 9.899 1.00 0.00 C ATOM 997 C CYS A 101 0.307 -9.221 9.104 1.00 0.00 C ATOM 998 O CYS A 101 -0.714 -9.810 8.749 1.00 0.00 O ATOM 999 CB CYS A 101 1.826 -11.207 9.155 1.00 0.00 C ATOM 1000 SG CYS A 101 3.402 -11.889 9.722 1.00 0.00 S ATOM 0 H CYS A 101 0.406 -11.165 11.292 1.00 0.00 H new ATOM 0 HA CYS A 101 2.245 -9.279 10.003 1.00 0.00 H new ATOM 0 HB2 CYS A 101 1.053 -11.967 9.265 1.00 0.00 H new ATOM 0 HB3 CYS A 101 1.902 -10.981 8.091 1.00 0.00 H new ATOM 0 HG CYS A 101 3.686 -12.955 9.035 1.00 0.00 H new ATOM 1006 N ARG A 102 0.537 -7.941 8.830 1.00 0.00 N ATOM 1007 CA ARG A 102 -0.420 -7.136 8.080 1.00 0.00 C ATOM 1008 C ARG A 102 0.286 -6.314 7.005 1.00 0.00 C ATOM 1009 O ARG A 102 1.030 -5.382 7.311 1.00 0.00 O ATOM 1010 CB ARG A 102 -1.189 -6.209 9.023 1.00 0.00 C ATOM 1011 CG ARG A 102 -2.364 -6.882 9.714 1.00 0.00 C ATOM 1012 CD ARG A 102 -3.425 -5.870 10.119 1.00 0.00 C ATOM 1013 NE ARG A 102 -2.886 -4.834 10.995 1.00 0.00 N ATOM 1014 CZ ARG A 102 -3.630 -4.119 11.833 1.00 0.00 C ATOM 1015 NH1 ARG A 102 -4.937 -4.329 11.907 1.00 0.00 N ATOM 1016 NH2 ARG A 102 -3.067 -3.194 12.598 1.00 0.00 N ATOM 0 H ARG A 102 1.378 -7.439 9.116 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.123 -7.812 7.593 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -0.505 -5.825 9.780 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -1.553 -5.351 8.458 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -2.803 -7.624 9.048 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.012 -7.415 10.597 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -3.845 -5.407 9.226 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.242 -6.384 10.625 1.00 0.00 H new ATOM 0 HE ARG A 102 -1.884 -4.649 10.962 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.373 -5.040 11.320 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.506 -3.779 12.551 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.062 -3.030 12.544 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.639 -2.646 13.241 1.00 0.00 H new ATOM 1030 N TYR A 103 0.048 -6.667 5.747 1.00 0.00 N ATOM 1031 CA TYR A 103 0.663 -5.964 4.627 1.00 0.00 C ATOM 1032 C TYR A 103 -0.289 -4.920 4.051 1.00 0.00 C ATOM 1033 O TYR A 103 -1.496 -4.965 4.288 1.00 0.00 O ATOM 1034 CB TYR A 103 1.070 -6.957 3.537 1.00 0.00 C ATOM 1035 CG TYR A 103 -0.103 -7.653 2.883 1.00 0.00 C ATOM 1036 CD1 TYR A 103 -0.998 -6.950 2.087 1.00 0.00 C ATOM 1037 CD2 TYR A 103 -0.315 -9.015 3.062 1.00 0.00 C ATOM 1038 CE1 TYR A 103 -2.071 -7.582 1.489 1.00 0.00 C ATOM 1039 CE2 TYR A 103 -1.384 -9.655 2.467 1.00 0.00 C ATOM 1040 CZ TYR A 103 -2.260 -8.934 1.681 1.00 0.00 C ATOM 1041 OH TYR A 103 -3.326 -9.568 1.086 1.00 0.00 O ATOM 0 H TYR A 103 -0.566 -7.435 5.477 1.00 0.00 H new ATOM 0 HA TYR A 103 1.553 -5.454 4.995 1.00 0.00 H new ATOM 0 HB2 TYR A 103 1.641 -6.430 2.773 1.00 0.00 H new ATOM 0 HB3 TYR A 103 1.732 -7.707 3.970 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -0.853 -5.891 1.933 1.00 0.00 H new ATOM 0 HD2 TYR A 103 0.368 -9.582 3.677 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -2.758 -7.020 0.874 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -1.534 -10.714 2.616 1.00 0.00 H new ATOM 0 HH TYR A 103 -3.314 -10.519 1.321 1.00 0.00 H new ATOM 1051 N VAL A 104 0.265 -3.980 3.291 1.00 0.00 N ATOM 1052 CA VAL A 104 -0.533 -2.924 2.679 1.00 0.00 C ATOM 1053 C VAL A 104 -0.556 -3.064 1.161 1.00 0.00 C ATOM 1054 O VAL A 104 0.463 -3.365 0.540 1.00 0.00 O ATOM 1055 CB VAL A 104 0.005 -1.529 3.047 1.00 0.00 C ATOM 1056 CG1 VAL A 104 1.428 -1.354 2.540 1.00 0.00 C ATOM 1057 CG2 VAL A 104 -0.905 -0.444 2.491 1.00 0.00 C ATOM 0 H VAL A 104 1.263 -3.928 3.085 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.547 -3.027 3.066 1.00 0.00 H new ATOM 0 HB VAL A 104 0.019 -1.439 4.133 1.00 0.00 H new ATOM 0 HG11 VAL A 104 1.791 -0.362 2.810 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.070 -2.110 2.991 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.444 -1.464 1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -0.510 0.536 2.760 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.953 -0.530 1.405 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.905 -0.559 2.908 1.00 0.00 H new ATOM 1067 N MET A 105 -1.725 -2.842 0.569 1.00 0.00 N ATOM 1068 CA MET A 105 -1.880 -2.941 -0.878 1.00 0.00 C ATOM 1069 C MET A 105 -2.472 -1.657 -1.450 1.00 0.00 C ATOM 1070 O MET A 105 -3.068 -0.860 -0.725 1.00 0.00 O ATOM 1071 CB MET A 105 -2.772 -4.132 -1.236 1.00 0.00 C ATOM 1072 CG MET A 105 -2.033 -5.460 -1.257 1.00 0.00 C ATOM 1073 SD MET A 105 -3.036 -6.803 -1.921 1.00 0.00 S ATOM 1074 CE MET A 105 -2.787 -6.573 -3.680 1.00 0.00 C ATOM 0 H MET A 105 -2.579 -2.592 1.069 1.00 0.00 H new ATOM 0 HA MET A 105 -0.893 -3.091 -1.315 1.00 0.00 H new ATOM 0 HB2 MET A 105 -3.590 -4.192 -0.518 1.00 0.00 H new ATOM 0 HB3 MET A 105 -3.220 -3.959 -2.215 1.00 0.00 H new ATOM 0 HG2 MET A 105 -1.128 -5.358 -1.855 1.00 0.00 H new ATOM 0 HG3 MET A 105 -1.719 -5.713 -0.244 1.00 0.00 H new ATOM 0 HE1 MET A 105 -3.723 -6.758 -4.207 1.00 0.00 H new ATOM 0 HE2 MET A 105 -2.459 -5.551 -3.871 1.00 0.00 H new ATOM 0 HE3 MET A 105 -2.027 -7.270 -4.034 1.00 0.00 H new ATOM 1084 N ILE A 106 -2.304 -1.464 -2.754 1.00 0.00 N ATOM 1085 CA ILE A 106 -2.822 -0.277 -3.423 1.00 0.00 C ATOM 1086 C ILE A 106 -3.384 -0.622 -4.798 1.00 0.00 C ATOM 1087 O ILE A 106 -2.856 -1.487 -5.497 1.00 0.00 O ATOM 1088 CB ILE A 106 -1.734 0.801 -3.581 1.00 0.00 C ATOM 1089 CG1 ILE A 106 -0.571 0.263 -4.417 1.00 0.00 C ATOM 1090 CG2 ILE A 106 -1.243 1.263 -2.217 1.00 0.00 C ATOM 1091 CD1 ILE A 106 0.185 1.340 -5.165 1.00 0.00 C ATOM 0 H ILE A 106 -1.813 -2.114 -3.368 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.621 0.115 -2.794 1.00 0.00 H new ATOM 0 HB ILE A 106 -2.165 1.658 -4.099 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.121 -0.268 -3.763 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.954 -0.464 -5.133 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -0.474 2.025 -2.346 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.077 1.681 -1.652 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.826 0.415 -1.674 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.995 0.886 -5.736 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.493 1.856 -5.845 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.599 2.055 -4.454 1.00 0.00 H new ATOM 1103 N PHE A 107 -4.458 0.061 -5.181 1.00 0.00 N ATOM 1104 CA PHE A 107 -5.091 -0.172 -6.473 1.00 0.00 C ATOM 1105 C PHE A 107 -5.371 1.147 -7.188 1.00 0.00 C ATOM 1106 O PHE A 107 -5.378 2.212 -6.570 1.00 0.00 O ATOM 1107 CB PHE A 107 -6.395 -0.953 -6.293 1.00 0.00 C ATOM 1108 CG PHE A 107 -6.184 -2.395 -5.928 1.00 0.00 C ATOM 1109 CD1 PHE A 107 -5.800 -2.750 -4.645 1.00 0.00 C ATOM 1110 CD2 PHE A 107 -6.370 -3.395 -6.869 1.00 0.00 C ATOM 1111 CE1 PHE A 107 -5.605 -4.076 -4.308 1.00 0.00 C ATOM 1112 CE2 PHE A 107 -6.176 -4.723 -6.537 1.00 0.00 C ATOM 1113 CZ PHE A 107 -5.794 -5.064 -5.254 1.00 0.00 C ATOM 0 H PHE A 107 -4.908 0.780 -4.615 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.405 -0.758 -7.084 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -6.992 -0.474 -5.517 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -6.971 -0.901 -7.217 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -5.651 -1.982 -3.900 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -6.670 -3.134 -7.873 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -5.305 -4.340 -3.305 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -6.323 -5.493 -7.280 1.00 0.00 H new ATOM 0 HZ PHE A 107 -5.644 -6.101 -4.991 1.00 0.00 H new ATOM 1123 N LYS A 108 -5.600 1.068 -8.494 1.00 0.00 N ATOM 1124 CA LYS A 108 -5.880 2.253 -9.295 1.00 0.00 C ATOM 1125 C LYS A 108 -7.343 2.664 -9.165 1.00 0.00 C ATOM 1126 O LYS A 108 -8.143 1.963 -8.545 1.00 0.00 O ATOM 1127 CB LYS A 108 -5.541 1.993 -10.765 1.00 0.00 C ATOM 1128 CG LYS A 108 -4.098 2.304 -11.121 1.00 0.00 C ATOM 1129 CD LYS A 108 -3.893 2.355 -12.625 1.00 0.00 C ATOM 1130 CE LYS A 108 -2.757 3.294 -13.001 1.00 0.00 C ATOM 1131 NZ LYS A 108 -2.677 3.507 -14.473 1.00 0.00 N ATOM 0 H LYS A 108 -5.597 0.195 -9.021 1.00 0.00 H new ATOM 0 HA LYS A 108 -5.257 3.067 -8.924 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.746 0.948 -10.997 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -6.199 2.594 -11.393 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -3.812 3.259 -10.681 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.444 1.546 -10.689 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -3.677 1.354 -12.998 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.813 2.684 -13.108 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.899 4.253 -12.503 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.813 2.884 -12.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -1.890 4.153 -14.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.517 2.596 -14.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -3.568 3.922 -14.813 1.00 0.00 H new ATOM 1145 N LYS A 109 -7.688 3.804 -9.755 1.00 0.00 N ATOM 1146 CA LYS A 109 -9.055 4.308 -9.708 1.00 0.00 C ATOM 1147 C LYS A 109 -9.995 3.405 -10.500 1.00 0.00 C ATOM 1148 O LYS A 109 -11.015 2.950 -9.983 1.00 0.00 O ATOM 1149 CB LYS A 109 -9.115 5.734 -10.260 1.00 0.00 C ATOM 1150 CG LYS A 109 -10.501 6.352 -10.199 1.00 0.00 C ATOM 1151 CD LYS A 109 -10.634 7.517 -11.166 1.00 0.00 C ATOM 1152 CE LYS A 109 -11.670 8.523 -10.686 1.00 0.00 C ATOM 1153 NZ LYS A 109 -11.680 9.752 -11.527 1.00 0.00 N ATOM 0 H LYS A 109 -7.038 4.397 -10.272 1.00 0.00 H new ATOM 0 HA LYS A 109 -9.377 4.315 -8.667 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -8.422 6.361 -9.699 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -8.774 5.729 -11.295 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -11.249 5.595 -10.435 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -10.703 6.695 -9.184 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -9.669 8.011 -11.277 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -10.916 7.144 -12.151 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -12.658 8.063 -10.703 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -11.462 8.793 -9.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -12.399 10.412 -11.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -10.745 10.205 -11.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -11.904 9.498 -12.510 1.00 0.00 H new ATOM 1167 N GLU A 110 -9.644 3.150 -11.757 1.00 0.00 N ATOM 1168 CA GLU A 110 -10.457 2.300 -12.619 1.00 0.00 C ATOM 1169 C GLU A 110 -10.302 0.831 -12.238 1.00 0.00 C ATOM 1170 O GLU A 110 -11.268 0.068 -12.255 1.00 0.00 O ATOM 1171 CB GLU A 110 -10.068 2.502 -14.085 1.00 0.00 C ATOM 1172 CG GLU A 110 -10.794 1.571 -15.041 1.00 0.00 C ATOM 1173 CD GLU A 110 -12.293 1.800 -15.052 1.00 0.00 C ATOM 1174 OE1 GLU A 110 -12.739 2.775 -15.694 1.00 0.00 O ATOM 1175 OE2 GLU A 110 -13.020 1.006 -14.420 1.00 0.00 O ATOM 0 H GLU A 110 -8.803 3.520 -12.200 1.00 0.00 H new ATOM 0 HA GLU A 110 -11.501 2.584 -12.485 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -10.275 3.534 -14.368 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -8.994 2.352 -14.191 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -10.401 1.712 -16.048 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -10.590 0.538 -14.761 1.00 0.00 H new ATOM 1182 N PHE A 111 -9.079 0.441 -11.894 1.00 0.00 N ATOM 1183 CA PHE A 111 -8.796 -0.937 -11.510 1.00 0.00 C ATOM 1184 C PHE A 111 -8.954 -1.126 -10.004 1.00 0.00 C ATOM 1185 O PHE A 111 -8.456 -2.096 -9.433 1.00 0.00 O ATOM 1186 CB PHE A 111 -7.380 -1.328 -11.938 1.00 0.00 C ATOM 1187 CG PHE A 111 -7.096 -1.056 -13.388 1.00 0.00 C ATOM 1188 CD1 PHE A 111 -7.733 -1.782 -14.381 1.00 0.00 C ATOM 1189 CD2 PHE A 111 -6.191 -0.073 -13.757 1.00 0.00 C ATOM 1190 CE1 PHE A 111 -7.473 -1.534 -15.715 1.00 0.00 C ATOM 1191 CE2 PHE A 111 -5.927 0.180 -15.090 1.00 0.00 C ATOM 1192 CZ PHE A 111 -6.570 -0.551 -16.070 1.00 0.00 C ATOM 0 H PHE A 111 -8.268 1.060 -11.873 1.00 0.00 H new ATOM 0 HA PHE A 111 -9.513 -1.583 -12.017 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -6.661 -0.783 -11.327 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -7.229 -2.389 -11.739 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.441 -2.551 -14.109 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -5.686 0.502 -12.994 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.975 -2.108 -16.479 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.219 0.948 -15.365 1.00 0.00 H new ATOM 0 HZ PHE A 111 -6.367 -0.354 -17.112 1.00 0.00 H new ATOM 1202 N ALA A 112 -9.650 -0.190 -9.367 1.00 0.00 N ATOM 1203 CA ALA A 112 -9.876 -0.253 -7.928 1.00 0.00 C ATOM 1204 C ALA A 112 -10.840 -1.380 -7.572 1.00 0.00 C ATOM 1205 O ALA A 112 -11.781 -1.680 -8.307 1.00 0.00 O ATOM 1206 CB ALA A 112 -10.406 1.079 -7.418 1.00 0.00 C ATOM 0 H ALA A 112 -10.067 0.621 -9.825 1.00 0.00 H new ATOM 0 HA ALA A 112 -8.922 -0.461 -7.444 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -10.570 1.017 -6.342 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.681 1.864 -7.630 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -11.348 1.311 -7.916 1.00 0.00 H new ATOM 1212 N PRO A 113 -10.603 -2.020 -6.417 1.00 0.00 N ATOM 1213 CA PRO A 113 -11.440 -3.124 -5.938 1.00 0.00 C ATOM 1214 C PRO A 113 -12.825 -2.656 -5.507 1.00 0.00 C ATOM 1215 O PRO A 113 -13.026 -1.481 -5.198 1.00 0.00 O ATOM 1216 CB PRO A 113 -10.660 -3.664 -4.736 1.00 0.00 C ATOM 1217 CG PRO A 113 -9.847 -2.509 -4.262 1.00 0.00 C ATOM 1218 CD PRO A 113 -9.500 -1.715 -5.491 1.00 0.00 C ATOM 0 HA PRO A 113 -11.620 -3.866 -6.715 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -11.332 -4.021 -3.956 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -10.026 -4.504 -5.020 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -10.408 -1.902 -3.551 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -8.947 -2.849 -3.750 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -9.439 -0.648 -5.276 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -8.536 -2.013 -5.903 1.00 0.00 H new ATOM 1226 N SER A 114 -13.779 -3.582 -5.488 1.00 0.00 N ATOM 1227 CA SER A 114 -15.147 -3.263 -5.098 1.00 0.00 C ATOM 1228 C SER A 114 -15.422 -3.712 -3.666 1.00 0.00 C ATOM 1229 O SER A 114 -14.611 -4.408 -3.055 1.00 0.00 O ATOM 1230 CB SER A 114 -16.140 -3.929 -6.053 1.00 0.00 C ATOM 1231 OG SER A 114 -16.452 -3.076 -7.141 1.00 0.00 O ATOM 0 H SER A 114 -13.629 -4.559 -5.738 1.00 0.00 H new ATOM 0 HA SER A 114 -15.272 -2.181 -5.152 1.00 0.00 H new ATOM 0 HB2 SER A 114 -15.719 -4.862 -6.428 1.00 0.00 H new ATOM 0 HB3 SER A 114 -17.052 -4.184 -5.514 1.00 0.00 H new ATOM 0 HG SER A 114 -17.087 -3.525 -7.737 1.00 0.00 H new ATOM 1237 N ASP A 115 -16.572 -3.307 -3.137 1.00 0.00 N ATOM 1238 CA ASP A 115 -16.956 -3.667 -1.777 1.00 0.00 C ATOM 1239 C ASP A 115 -16.911 -5.180 -1.582 1.00 0.00 C ATOM 1240 O ASP A 115 -16.079 -5.694 -0.835 1.00 0.00 O ATOM 1241 CB ASP A 115 -18.358 -3.142 -1.465 1.00 0.00 C ATOM 1242 CG ASP A 115 -18.551 -2.848 0.010 1.00 0.00 C ATOM 1243 OD1 ASP A 115 -18.102 -3.665 0.842 1.00 0.00 O ATOM 1244 OD2 ASP A 115 -19.149 -1.801 0.333 1.00 0.00 O ATOM 0 H ASP A 115 -17.254 -2.730 -3.629 1.00 0.00 H new ATOM 0 HA ASP A 115 -16.244 -3.209 -1.091 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -18.539 -2.234 -2.040 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -19.097 -3.876 -1.786 1.00 0.00 H new ATOM 1249 N GLU A 116 -17.812 -5.886 -2.259 1.00 0.00 N ATOM 1250 CA GLU A 116 -17.875 -7.339 -2.157 1.00 0.00 C ATOM 1251 C GLU A 116 -16.520 -7.966 -2.472 1.00 0.00 C ATOM 1252 O GLU A 116 -16.028 -8.811 -1.725 1.00 0.00 O ATOM 1253 CB GLU A 116 -18.939 -7.893 -3.108 1.00 0.00 C ATOM 1254 CG GLU A 116 -19.408 -9.292 -2.748 1.00 0.00 C ATOM 1255 CD GLU A 116 -18.438 -10.367 -3.200 1.00 0.00 C ATOM 1256 OE1 GLU A 116 -17.505 -10.686 -2.433 1.00 0.00 O ATOM 1257 OE2 GLU A 116 -18.612 -10.889 -4.320 1.00 0.00 O ATOM 0 H GLU A 116 -18.507 -5.476 -2.883 1.00 0.00 H new ATOM 0 HA GLU A 116 -18.145 -7.595 -1.132 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -19.797 -7.221 -3.111 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -18.538 -7.903 -4.122 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -19.542 -9.360 -1.668 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -20.382 -9.473 -3.202 1.00 0.00 H new ATOM 1264 N GLU A 117 -15.923 -7.545 -3.583 1.00 0.00 N ATOM 1265 CA GLU A 117 -14.626 -8.067 -3.997 1.00 0.00 C ATOM 1266 C GLU A 117 -13.592 -7.897 -2.887 1.00 0.00 C ATOM 1267 O GLU A 117 -12.783 -8.791 -2.635 1.00 0.00 O ATOM 1268 CB GLU A 117 -14.148 -7.358 -5.266 1.00 0.00 C ATOM 1269 CG GLU A 117 -15.095 -7.516 -6.444 1.00 0.00 C ATOM 1270 CD GLU A 117 -14.419 -7.249 -7.775 1.00 0.00 C ATOM 1271 OE1 GLU A 117 -13.472 -6.436 -7.807 1.00 0.00 O ATOM 1272 OE2 GLU A 117 -14.838 -7.853 -8.785 1.00 0.00 O ATOM 0 H GLU A 117 -16.317 -6.845 -4.212 1.00 0.00 H new ATOM 0 HA GLU A 117 -14.740 -9.131 -4.204 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -14.020 -6.297 -5.053 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -13.168 -7.748 -5.543 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -15.503 -8.527 -6.444 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -15.936 -6.833 -6.324 1.00 0.00 H new ATOM 1279 N LEU A 118 -13.625 -6.745 -2.228 1.00 0.00 N ATOM 1280 CA LEU A 118 -12.691 -6.456 -1.145 1.00 0.00 C ATOM 1281 C LEU A 118 -12.782 -7.516 -0.051 1.00 0.00 C ATOM 1282 O LEU A 118 -11.781 -8.134 0.312 1.00 0.00 O ATOM 1283 CB LEU A 118 -12.974 -5.073 -0.556 1.00 0.00 C ATOM 1284 CG LEU A 118 -12.411 -3.884 -1.334 1.00 0.00 C ATOM 1285 CD1 LEU A 118 -13.144 -2.605 -0.959 1.00 0.00 C ATOM 1286 CD2 LEU A 118 -10.918 -3.739 -1.081 1.00 0.00 C ATOM 0 H LEU A 118 -14.288 -5.995 -2.424 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.681 -6.469 -1.555 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -14.054 -4.949 -0.474 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -12.572 -5.042 0.457 1.00 0.00 H new ATOM 0 HG LEU A 118 -12.562 -4.067 -2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -12.729 -1.769 -1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -14.203 -2.711 -1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -13.025 -2.417 0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -10.535 -2.887 -1.643 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -10.743 -3.580 -0.017 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.405 -4.646 -1.401 1.00 0.00 H new ATOM 1298 N ASP A 119 -13.987 -7.721 0.468 1.00 0.00 N ATOM 1299 CA ASP A 119 -14.209 -8.708 1.518 1.00 0.00 C ATOM 1300 C ASP A 119 -13.678 -10.075 1.100 1.00 0.00 C ATOM 1301 O ASP A 119 -13.144 -10.822 1.920 1.00 0.00 O ATOM 1302 CB ASP A 119 -15.700 -8.806 1.849 1.00 0.00 C ATOM 1303 CG ASP A 119 -15.957 -9.546 3.146 1.00 0.00 C ATOM 1304 OD1 ASP A 119 -15.206 -10.497 3.446 1.00 0.00 O ATOM 1305 OD2 ASP A 119 -16.912 -9.176 3.862 1.00 0.00 O ATOM 0 H ASP A 119 -14.825 -7.217 0.179 1.00 0.00 H new ATOM 0 HA ASP A 119 -13.668 -8.384 2.407 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -16.121 -7.803 1.917 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -16.217 -9.314 1.035 1.00 0.00 H new ATOM 1310 N SER A 120 -13.828 -10.397 -0.181 1.00 0.00 N ATOM 1311 CA SER A 120 -13.368 -11.676 -0.707 1.00 0.00 C ATOM 1312 C SER A 120 -11.853 -11.674 -0.894 1.00 0.00 C ATOM 1313 O SER A 120 -11.193 -12.698 -0.717 1.00 0.00 O ATOM 1314 CB SER A 120 -14.056 -11.981 -2.039 1.00 0.00 C ATOM 1315 OG SER A 120 -15.435 -12.249 -1.851 1.00 0.00 O ATOM 0 H SER A 120 -14.265 -9.789 -0.874 1.00 0.00 H new ATOM 0 HA SER A 120 -13.627 -12.451 0.014 1.00 0.00 H new ATOM 0 HB2 SER A 120 -13.936 -11.135 -2.716 1.00 0.00 H new ATOM 0 HB3 SER A 120 -13.577 -12.838 -2.512 1.00 0.00 H new ATOM 0 HG SER A 120 -15.963 -11.489 -2.174 1.00 0.00 H new ATOM 1321 N TYR A 121 -11.310 -10.516 -1.251 1.00 0.00 N ATOM 1322 CA TYR A 121 -9.874 -10.379 -1.464 1.00 0.00 C ATOM 1323 C TYR A 121 -9.107 -10.594 -0.163 1.00 0.00 C ATOM 1324 O TYR A 121 -8.095 -11.294 -0.135 1.00 0.00 O ATOM 1325 CB TYR A 121 -9.551 -8.998 -2.036 1.00 0.00 C ATOM 1326 CG TYR A 121 -9.851 -8.869 -3.513 1.00 0.00 C ATOM 1327 CD1 TYR A 121 -9.402 -9.823 -4.418 1.00 0.00 C ATOM 1328 CD2 TYR A 121 -10.581 -7.793 -4.003 1.00 0.00 C ATOM 1329 CE1 TYR A 121 -9.673 -9.709 -5.768 1.00 0.00 C ATOM 1330 CE2 TYR A 121 -10.857 -7.672 -5.351 1.00 0.00 C ATOM 1331 CZ TYR A 121 -10.401 -8.632 -6.229 1.00 0.00 C ATOM 1332 OH TYR A 121 -10.673 -8.514 -7.573 1.00 0.00 O ATOM 0 H TYR A 121 -11.842 -9.659 -1.399 1.00 0.00 H new ATOM 0 HA TYR A 121 -9.565 -11.142 -2.178 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -10.121 -8.246 -1.491 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -8.496 -8.782 -1.868 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -8.832 -10.668 -4.060 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -10.939 -7.038 -3.318 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -9.317 -10.459 -6.459 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -11.427 -6.830 -5.715 1.00 0.00 H new ATOM 0 HH TYR A 121 -11.196 -7.700 -7.731 1.00 0.00 H new ATOM 1342 N ARG A 122 -9.598 -9.988 0.913 1.00 0.00 N ATOM 1343 CA ARG A 122 -8.960 -10.112 2.218 1.00 0.00 C ATOM 1344 C ARG A 122 -9.215 -11.492 2.819 1.00 0.00 C ATOM 1345 O ARG A 122 -8.350 -12.058 3.487 1.00 0.00 O ATOM 1346 CB ARG A 122 -9.475 -9.028 3.166 1.00 0.00 C ATOM 1347 CG ARG A 122 -10.919 -9.231 3.597 1.00 0.00 C ATOM 1348 CD ARG A 122 -11.008 -10.058 4.871 1.00 0.00 C ATOM 1349 NE ARG A 122 -10.386 -9.383 6.007 1.00 0.00 N ATOM 1350 CZ ARG A 122 -9.133 -9.595 6.391 1.00 0.00 C ATOM 1351 NH1 ARG A 122 -8.371 -10.459 5.733 1.00 0.00 N ATOM 1352 NH2 ARG A 122 -8.638 -8.943 7.435 1.00 0.00 N ATOM 0 H ARG A 122 -10.436 -9.406 0.907 1.00 0.00 H new ATOM 0 HA ARG A 122 -7.886 -9.986 2.083 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -8.841 -9.001 4.052 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -9.383 -8.057 2.678 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -11.392 -8.262 3.757 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -11.472 -9.728 2.800 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -12.054 -10.261 5.099 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -10.523 -11.021 4.712 1.00 0.00 H new ATOM 0 HE ARG A 122 -10.945 -8.712 6.534 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -8.748 -10.962 4.930 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -7.409 -10.620 6.030 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -9.220 -8.278 7.944 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -7.675 -9.107 7.729 1.00 0.00 H new ATOM 1366 N ARG A 123 -10.408 -12.025 2.577 1.00 0.00 N ATOM 1367 CA ARG A 123 -10.777 -13.337 3.095 1.00 0.00 C ATOM 1368 C ARG A 123 -9.978 -14.439 2.406 1.00 0.00 C ATOM 1369 O ARG A 123 -9.728 -15.494 2.986 1.00 0.00 O ATOM 1370 CB ARG A 123 -12.275 -13.582 2.903 1.00 0.00 C ATOM 1371 CG ARG A 123 -13.131 -13.043 4.038 1.00 0.00 C ATOM 1372 CD ARG A 123 -14.432 -13.819 4.171 1.00 0.00 C ATOM 1373 NE ARG A 123 -15.346 -13.196 5.124 1.00 0.00 N ATOM 1374 CZ ARG A 123 -16.591 -13.611 5.328 1.00 0.00 C ATOM 1375 NH1 ARG A 123 -17.068 -14.645 4.649 1.00 0.00 N ATOM 1376 NH2 ARG A 123 -17.362 -12.992 6.213 1.00 0.00 N ATOM 0 H ARG A 123 -11.135 -11.569 2.026 1.00 0.00 H new ATOM 0 HA ARG A 123 -10.546 -13.357 4.160 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -12.593 -13.120 1.968 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -12.450 -14.653 2.805 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -12.575 -13.100 4.974 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -13.350 -11.990 3.861 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -14.915 -13.886 3.196 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -14.215 -14.838 4.490 1.00 0.00 H new ATOM 0 HE ARG A 123 -15.010 -12.398 5.663 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -16.478 -15.124 3.968 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -18.025 -14.962 4.808 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -16.999 -12.196 6.738 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -18.318 -13.312 6.369 1.00 0.00 H new ATOM 1390 N GLY A 124 -9.581 -14.185 1.162 1.00 0.00 N ATOM 1391 CA GLY A 124 -8.815 -15.165 0.414 1.00 0.00 C ATOM 1392 C GLY A 124 -9.587 -15.727 -0.764 1.00 0.00 C ATOM 1393 O GLY A 124 -10.761 -16.073 -0.637 1.00 0.00 O ATOM 0 H GLY A 124 -9.776 -13.319 0.660 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -7.894 -14.705 0.055 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -8.527 -15.980 1.078 1.00 0.00 H new ATOM 1397 N SER A 125 -8.926 -15.816 -1.914 1.00 0.00 N ATOM 1398 CA SER A 125 -9.559 -16.335 -3.121 1.00 0.00 C ATOM 1399 C SER A 125 -9.643 -17.858 -3.078 1.00 0.00 C ATOM 1400 O SER A 125 -10.714 -18.437 -3.253 1.00 0.00 O ATOM 1401 CB SER A 125 -8.782 -15.890 -4.361 1.00 0.00 C ATOM 1402 OG SER A 125 -9.612 -15.891 -5.510 1.00 0.00 O ATOM 0 H SER A 125 -7.953 -15.536 -2.035 1.00 0.00 H new ATOM 0 HA SER A 125 -10.571 -15.934 -3.172 1.00 0.00 H new ATOM 0 HB2 SER A 125 -8.378 -14.890 -4.201 1.00 0.00 H new ATOM 0 HB3 SER A 125 -7.934 -16.555 -4.521 1.00 0.00 H new ATOM 0 HG SER A 125 -9.093 -15.601 -6.289 1.00 0.00 H new ATOM 1408 N GLY A 126 -8.503 -18.501 -2.846 1.00 0.00 N ATOM 1409 CA GLY A 126 -8.468 -19.950 -2.785 1.00 0.00 C ATOM 1410 C GLY A 126 -9.362 -20.507 -1.694 1.00 0.00 C ATOM 1411 O GLY A 126 -10.156 -19.789 -1.086 1.00 0.00 O ATOM 0 H GLY A 126 -7.603 -18.044 -2.699 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -8.777 -20.359 -3.747 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -7.443 -20.279 -2.613 1.00 0.00 H new ATOM 1415 N PRO A 127 -9.239 -21.817 -1.434 1.00 0.00 N ATOM 1416 CA PRO A 127 -10.036 -22.498 -0.409 1.00 0.00 C ATOM 1417 C PRO A 127 -9.642 -22.081 1.003 1.00 0.00 C ATOM 1418 O PRO A 127 -10.476 -22.058 1.909 1.00 0.00 O ATOM 1419 CB PRO A 127 -9.717 -23.978 -0.638 1.00 0.00 C ATOM 1420 CG PRO A 127 -8.373 -23.981 -1.282 1.00 0.00 C ATOM 1421 CD PRO A 127 -8.313 -22.734 -2.120 1.00 0.00 C ATOM 0 HA PRO A 127 -11.096 -22.258 -0.491 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -9.707 -24.531 0.301 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -10.463 -24.449 -1.277 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -7.581 -23.986 -0.533 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -8.237 -24.871 -1.896 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -7.303 -22.327 -2.163 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -8.624 -22.925 -3.147 1.00 0.00 H new ATOM 1429 N SER A 128 -8.367 -21.751 1.185 1.00 0.00 N ATOM 1430 CA SER A 128 -7.863 -21.338 2.489 1.00 0.00 C ATOM 1431 C SER A 128 -8.094 -19.846 2.713 1.00 0.00 C ATOM 1432 O SER A 128 -7.893 -19.034 1.810 1.00 0.00 O ATOM 1433 CB SER A 128 -6.371 -21.658 2.607 1.00 0.00 C ATOM 1434 OG SER A 128 -5.616 -20.926 1.658 1.00 0.00 O ATOM 0 H SER A 128 -7.665 -21.762 0.446 1.00 0.00 H new ATOM 0 HA SER A 128 -8.408 -21.891 3.254 1.00 0.00 H new ATOM 0 HB2 SER A 128 -6.024 -21.422 3.613 1.00 0.00 H new ATOM 0 HB3 SER A 128 -6.212 -22.726 2.457 1.00 0.00 H new ATOM 0 HG SER A 128 -4.666 -21.147 1.755 1.00 0.00 H new ATOM 1440 N SER A 129 -8.517 -19.494 3.922 1.00 0.00 N ATOM 1441 CA SER A 129 -8.779 -18.102 4.265 1.00 0.00 C ATOM 1442 C SER A 129 -7.525 -17.433 4.818 1.00 0.00 C ATOM 1443 O SER A 129 -7.112 -16.374 4.345 1.00 0.00 O ATOM 1444 CB SER A 129 -9.912 -18.011 5.289 1.00 0.00 C ATOM 1445 OG SER A 129 -10.229 -16.661 5.582 1.00 0.00 O ATOM 0 H SER A 129 -8.686 -20.154 4.681 1.00 0.00 H new ATOM 0 HA SER A 129 -9.077 -17.580 3.356 1.00 0.00 H new ATOM 0 HB2 SER A 129 -10.796 -18.520 4.904 1.00 0.00 H new ATOM 0 HB3 SER A 129 -9.621 -18.526 6.204 1.00 0.00 H new ATOM 0 HG SER A 129 -10.120 -16.117 4.774 1.00 0.00 H new ATOM 1451 N GLY A 130 -6.921 -18.059 5.824 1.00 0.00 N ATOM 1452 CA GLY A 130 -5.720 -17.511 6.426 1.00 0.00 C ATOM 1453 C GLY A 130 -5.419 -18.121 7.780 1.00 0.00 C ATOM 1454 O GLY A 130 -4.708 -19.121 7.873 1.00 0.00 O ATOM 0 H GLY A 130 -7.243 -18.936 6.233 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -4.874 -17.679 5.759 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -5.831 -16.432 6.534 1.00 0.00 H new TER 1458 GLY A 130