USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 814 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 19 HIS :FLIP no HE2:sc= -3.88 F(o=-9.1!,f=-6.9) USER MOD Set 1.2: A 21 MET CE :methyl -114:sc= -2.81 (180deg=-2.1) USER MOD Set 1.3: A 87 HIS :FLIP no HE2:sc= -0.202 F(o=-8.2,f=-6.9) USER MOD Set 2.1: A 74 THR OG1 : rot -84:sc= 0.0269 USER MOD Set 2.2: A 75 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 62 THR OG1 : rot 82:sc= 0.17 USER MOD Set 3.2: A 66 GLN : amide:sc= 0.67 K(o=0.84,f=-1.5!) USER MOD Set 4.1: A 24 GLN : amide:sc= 0.637 K(o=0.66,f=-5.2!) USER MOD Set 4.2: A 53 ASN : amide:sc= 0.0227 K(o=0.66,f=-2.3) USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.0912 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 160:sc= -0.438 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.191 X(o=-0.19,f=-0.19) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -1.24 K(o=-1.2,f=-6.7!) USER MOD Single : A 35 GLN : amide:sc= -0.473 X(o=-0.47,f=-0.42) USER MOD Single : A 44 SER OG : rot -170:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.95! C(o=-2!,f=-2.2!) USER MOD Single : A 46 HIS : no HE2:sc= -3.41 K(o=-3.4,f=-7.8!) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 177:sc= -0.773 (180deg=-0.826) USER MOD Single : A 61 THR OG1 : rot -40:sc= 0.536 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 161:sc= -0.142 (180deg=-0.227) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.191 K(o=-0.19,f=-2.4!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 150:sc= -0.795 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.017 4.137 16.129 1.00 0.00 N ATOM 2 CA GLY A 1 -12.513 2.787 15.956 1.00 0.00 C ATOM 3 C GLY A 1 -13.524 1.870 15.299 1.00 0.00 C ATOM 4 O GLY A 1 -14.656 2.274 15.028 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.408 4.804 15.612 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.987 4.196 15.759 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.017 4.381 17.140 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.607 2.816 15.351 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.235 2.379 16.928 1.00 0.00 H new ATOM 8 N SER A 2 -13.118 0.631 15.040 1.00 0.00 N ATOM 9 CA SER A 2 -13.996 -0.345 14.405 1.00 0.00 C ATOM 10 C SER A 2 -14.397 0.114 13.006 1.00 0.00 C ATOM 11 O SER A 2 -15.478 0.666 12.808 1.00 0.00 O ATOM 12 CB SER A 2 -15.247 -0.568 15.258 1.00 0.00 C ATOM 13 OG SER A 2 -15.084 -1.680 16.121 1.00 0.00 O ATOM 0 H SER A 2 -12.186 0.279 15.260 1.00 0.00 H new ATOM 0 HA SER A 2 -13.451 -1.285 14.318 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.454 0.326 15.847 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.109 -0.730 14.610 1.00 0.00 H new ATOM 0 HG SER A 2 -15.896 -1.800 16.656 1.00 0.00 H new ATOM 19 N SER A 3 -13.515 -0.121 12.040 1.00 0.00 N ATOM 20 CA SER A 3 -13.773 0.272 10.658 1.00 0.00 C ATOM 21 C SER A 3 -14.679 -0.742 9.967 1.00 0.00 C ATOM 22 O SER A 3 -15.711 -0.386 9.401 1.00 0.00 O ATOM 23 CB SER A 3 -12.457 0.406 9.890 1.00 0.00 C ATOM 24 OG SER A 3 -12.669 0.986 8.614 1.00 0.00 O ATOM 0 H SER A 3 -12.617 -0.581 12.188 1.00 0.00 H new ATOM 0 HA SER A 3 -14.279 1.238 10.668 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.760 1.019 10.461 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.997 -0.576 9.775 1.00 0.00 H new ATOM 0 HG SER A 3 -11.813 1.063 8.143 1.00 0.00 H new ATOM 30 N GLY A 4 -14.282 -2.011 10.016 1.00 0.00 N ATOM 31 CA GLY A 4 -15.068 -3.059 9.391 1.00 0.00 C ATOM 32 C GLY A 4 -15.147 -2.903 7.884 1.00 0.00 C ATOM 33 O GLY A 4 -16.104 -2.328 7.363 1.00 0.00 O ATOM 0 H GLY A 4 -13.430 -2.331 10.477 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.631 -4.029 9.631 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.075 -3.051 9.808 1.00 0.00 H new ATOM 37 N SER A 5 -14.140 -3.413 7.184 1.00 0.00 N ATOM 38 CA SER A 5 -14.097 -3.323 5.729 1.00 0.00 C ATOM 39 C SER A 5 -14.025 -1.867 5.277 1.00 0.00 C ATOM 40 O SER A 5 -14.869 -1.049 5.643 1.00 0.00 O ATOM 41 CB SER A 5 -15.328 -3.998 5.119 1.00 0.00 C ATOM 42 OG SER A 5 -15.020 -5.305 4.667 1.00 0.00 O ATOM 0 H SER A 5 -13.342 -3.893 7.600 1.00 0.00 H new ATOM 0 HA SER A 5 -13.200 -3.838 5.384 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.126 -4.044 5.860 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.700 -3.400 4.287 1.00 0.00 H new ATOM 0 HG SER A 5 -15.823 -5.716 4.283 1.00 0.00 H new ATOM 48 N SER A 6 -13.010 -1.552 4.479 1.00 0.00 N ATOM 49 CA SER A 6 -12.824 -0.195 3.979 1.00 0.00 C ATOM 50 C SER A 6 -14.046 0.266 3.190 1.00 0.00 C ATOM 51 O SER A 6 -14.287 -0.193 2.074 1.00 0.00 O ATOM 52 CB SER A 6 -11.576 -0.119 3.098 1.00 0.00 C ATOM 53 OG SER A 6 -10.939 1.141 3.222 1.00 0.00 O ATOM 0 H SER A 6 -12.304 -2.218 4.165 1.00 0.00 H new ATOM 0 HA SER A 6 -12.696 0.466 4.836 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.881 -0.910 3.378 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.851 -0.290 2.057 1.00 0.00 H new ATOM 0 HG SER A 6 -10.143 1.163 2.650 1.00 0.00 H new ATOM 59 N GLY A 7 -14.814 1.177 3.778 1.00 0.00 N ATOM 60 CA GLY A 7 -16.002 1.686 3.118 1.00 0.00 C ATOM 61 C GLY A 7 -17.202 0.778 3.302 1.00 0.00 C ATOM 62 O GLY A 7 -17.051 -0.406 3.601 1.00 0.00 O ATOM 0 H GLY A 7 -14.635 1.572 4.701 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.236 2.676 3.510 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.800 1.804 2.053 1.00 0.00 H new ATOM 66 N GLN A 8 -18.396 1.335 3.127 1.00 0.00 N ATOM 67 CA GLN A 8 -19.626 0.568 3.280 1.00 0.00 C ATOM 68 C GLN A 8 -20.841 1.407 2.900 1.00 0.00 C ATOM 69 O GLN A 8 -21.670 0.989 2.091 1.00 0.00 O ATOM 70 CB GLN A 8 -19.766 0.069 4.719 1.00 0.00 C ATOM 71 CG GLN A 8 -20.973 -0.829 4.937 1.00 0.00 C ATOM 72 CD GLN A 8 -21.937 -0.271 5.964 1.00 0.00 C ATOM 73 OE1 GLN A 8 -22.377 0.875 5.862 1.00 0.00 O ATOM 74 NE2 GLN A 8 -22.273 -1.079 6.962 1.00 0.00 N ATOM 0 H GLN A 8 -18.537 2.314 2.879 1.00 0.00 H new ATOM 0 HA GLN A 8 -19.575 -0.290 2.609 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -18.863 -0.476 4.995 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -19.837 0.927 5.387 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -21.496 -0.965 3.990 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -20.635 -1.814 5.259 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -21.885 -2.021 7.008 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -22.919 -0.758 7.683 1.00 0.00 H new ATOM 83 N LYS A 9 -20.943 2.594 3.489 1.00 0.00 N ATOM 84 CA LYS A 9 -22.057 3.493 3.213 1.00 0.00 C ATOM 85 C LYS A 9 -22.026 3.967 1.763 1.00 0.00 C ATOM 86 O LYS A 9 -22.974 3.749 1.009 1.00 0.00 O ATOM 87 CB LYS A 9 -22.011 4.698 4.155 1.00 0.00 C ATOM 88 CG LYS A 9 -23.004 4.611 5.302 1.00 0.00 C ATOM 89 CD LYS A 9 -22.315 4.762 6.648 1.00 0.00 C ATOM 90 CE LYS A 9 -23.158 5.576 7.618 1.00 0.00 C ATOM 91 NZ LYS A 9 -22.923 7.039 7.463 1.00 0.00 N ATOM 0 H LYS A 9 -20.267 2.956 4.161 1.00 0.00 H new ATOM 0 HA LYS A 9 -22.984 2.945 3.379 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -21.005 4.792 4.563 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -22.208 5.604 3.582 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -23.760 5.388 5.190 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -23.523 3.653 5.263 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -22.121 3.776 7.071 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -21.348 5.246 6.511 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -24.213 5.358 7.454 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -22.926 5.277 8.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -23.515 7.560 8.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -21.921 7.251 7.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -23.168 7.329 6.495 1.00 0.00 H new ATOM 105 N GLY A 10 -20.931 4.616 1.380 1.00 0.00 N ATOM 106 CA GLY A 10 -20.797 5.108 0.021 1.00 0.00 C ATOM 107 C GLY A 10 -19.351 5.301 -0.387 1.00 0.00 C ATOM 108 O GLY A 10 -18.440 5.107 0.419 1.00 0.00 O ATOM 0 H GLY A 10 -20.134 4.810 1.986 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -21.274 4.407 -0.664 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -21.327 6.056 -0.073 1.00 0.00 H new ATOM 112 N ARG A 11 -19.137 5.680 -1.642 1.00 0.00 N ATOM 113 CA ARG A 11 -17.790 5.896 -2.157 1.00 0.00 C ATOM 114 C ARG A 11 -17.382 7.360 -2.018 1.00 0.00 C ATOM 115 O ARG A 11 -18.232 8.247 -1.934 1.00 0.00 O ATOM 116 CB ARG A 11 -17.707 5.469 -3.624 1.00 0.00 C ATOM 117 CG ARG A 11 -16.290 5.192 -4.098 1.00 0.00 C ATOM 118 CD ARG A 11 -16.282 4.437 -5.418 1.00 0.00 C ATOM 119 NE ARG A 11 -15.763 3.080 -5.269 1.00 0.00 N ATOM 120 CZ ARG A 11 -15.890 2.139 -6.198 1.00 0.00 C ATOM 121 NH1 ARG A 11 -16.517 2.406 -7.336 1.00 0.00 N ATOM 122 NH2 ARG A 11 -15.391 0.927 -5.989 1.00 0.00 N ATOM 0 H ARG A 11 -19.879 5.844 -2.322 1.00 0.00 H new ATOM 0 HA ARG A 11 -17.102 5.288 -1.569 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -18.311 4.573 -3.768 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -18.143 6.250 -4.246 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -15.753 6.134 -4.213 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -15.759 4.612 -3.343 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -17.295 4.396 -5.818 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -15.675 4.980 -6.142 1.00 0.00 H new ATOM 0 HE ARG A 11 -15.277 2.842 -4.405 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -16.903 3.336 -7.500 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -16.613 1.682 -8.048 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.910 0.718 -5.115 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.489 0.205 -6.703 1.00 0.00 H new ATOM 136 N VAL A 12 -16.076 7.605 -1.993 1.00 0.00 N ATOM 137 CA VAL A 12 -15.555 8.961 -1.864 1.00 0.00 C ATOM 138 C VAL A 12 -14.225 9.110 -2.595 1.00 0.00 C ATOM 139 O VAL A 12 -13.222 8.514 -2.205 1.00 0.00 O ATOM 140 CB VAL A 12 -15.364 9.351 -0.387 1.00 0.00 C ATOM 141 CG1 VAL A 12 -16.528 10.203 0.096 1.00 0.00 C ATOM 142 CG2 VAL A 12 -15.207 8.108 0.476 1.00 0.00 C ATOM 0 H VAL A 12 -15.359 6.882 -2.060 1.00 0.00 H new ATOM 0 HA VAL A 12 -16.291 9.627 -2.315 1.00 0.00 H new ATOM 0 HB VAL A 12 -14.453 9.943 -0.300 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -16.375 10.469 1.142 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -16.588 11.111 -0.504 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -17.456 9.641 -0.003 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -15.073 8.402 1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -16.099 7.488 0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.337 7.542 0.144 1.00 0.00 H new ATOM 152 N GLU A 13 -14.226 9.911 -3.656 1.00 0.00 N ATOM 153 CA GLU A 13 -13.018 10.138 -4.441 1.00 0.00 C ATOM 154 C GLU A 13 -12.035 11.025 -3.681 1.00 0.00 C ATOM 155 O GLU A 13 -12.080 12.252 -3.784 1.00 0.00 O ATOM 156 CB GLU A 13 -13.369 10.781 -5.784 1.00 0.00 C ATOM 157 CG GLU A 13 -12.164 11.022 -6.677 1.00 0.00 C ATOM 158 CD GLU A 13 -12.507 11.831 -7.913 1.00 0.00 C ATOM 159 OE1 GLU A 13 -12.835 13.027 -7.768 1.00 0.00 O ATOM 160 OE2 GLU A 13 -12.447 11.267 -9.026 1.00 0.00 O ATOM 0 H GLU A 13 -15.048 10.413 -3.991 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.546 9.172 -4.622 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.078 10.141 -6.309 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.872 11.731 -5.602 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.393 11.543 -6.109 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.743 10.063 -6.980 1.00 0.00 H new ATOM 167 N THR A 14 -11.146 10.396 -2.919 1.00 0.00 N ATOM 168 CA THR A 14 -10.153 11.126 -2.141 1.00 0.00 C ATOM 169 C THR A 14 -8.742 10.833 -2.637 1.00 0.00 C ATOM 170 O THR A 14 -8.547 10.014 -3.535 1.00 0.00 O ATOM 171 CB THR A 14 -10.242 10.775 -0.645 1.00 0.00 C ATOM 172 OG1 THR A 14 -9.152 11.373 0.066 1.00 0.00 O ATOM 173 CG2 THR A 14 -10.221 9.267 -0.440 1.00 0.00 C ATOM 0 H THR A 14 -11.093 9.382 -2.824 1.00 0.00 H new ATOM 0 HA THR A 14 -10.368 12.187 -2.271 1.00 0.00 H new ATOM 0 HB THR A 14 -11.184 11.165 -0.260 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.373 11.426 1.019 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.285 9.044 0.625 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.069 8.818 -0.957 1.00 0.00 H new ATOM 0 HG23 THR A 14 -9.294 8.858 -0.841 1.00 0.00 H new ATOM 181 N ARG A 15 -7.760 11.508 -2.047 1.00 0.00 N ATOM 182 CA ARG A 15 -6.366 11.318 -2.430 1.00 0.00 C ATOM 183 C ARG A 15 -6.031 9.834 -2.548 1.00 0.00 C ATOM 184 O ARG A 15 -6.778 8.980 -2.073 1.00 0.00 O ATOM 185 CB ARG A 15 -5.440 11.982 -1.409 1.00 0.00 C ATOM 186 CG ARG A 15 -5.018 13.390 -1.793 1.00 0.00 C ATOM 187 CD ARG A 15 -3.532 13.610 -1.559 1.00 0.00 C ATOM 188 NE ARG A 15 -2.784 13.674 -2.813 1.00 0.00 N ATOM 189 CZ ARG A 15 -1.617 14.296 -2.941 1.00 0.00 C ATOM 190 NH1 ARG A 15 -1.067 14.904 -1.899 1.00 0.00 N ATOM 191 NH2 ARG A 15 -0.998 14.312 -4.114 1.00 0.00 N ATOM 0 H ARG A 15 -7.904 12.190 -1.303 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.216 11.784 -3.404 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.943 12.014 -0.442 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.549 11.366 -1.285 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.252 13.568 -2.843 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.590 14.114 -1.212 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.386 14.535 -1.002 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.138 12.802 -0.943 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.179 13.216 -3.634 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.540 14.895 -0.995 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.171 15.380 -2.001 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.418 13.847 -4.919 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.102 14.790 -4.211 1.00 0.00 H new ATOM 205 N ARG A 16 -4.903 9.538 -3.186 1.00 0.00 N ATOM 206 CA ARG A 16 -4.471 8.157 -3.368 1.00 0.00 C ATOM 207 C ARG A 16 -3.349 7.806 -2.395 1.00 0.00 C ATOM 208 O ARG A 16 -2.208 8.236 -2.564 1.00 0.00 O ATOM 209 CB ARG A 16 -4.000 7.933 -4.807 1.00 0.00 C ATOM 210 CG ARG A 16 -4.708 8.814 -5.822 1.00 0.00 C ATOM 211 CD ARG A 16 -4.064 10.189 -5.912 1.00 0.00 C ATOM 212 NE ARG A 16 -5.003 11.256 -5.572 1.00 0.00 N ATOM 213 CZ ARG A 16 -4.759 12.545 -5.781 1.00 0.00 C ATOM 214 NH1 ARG A 16 -3.612 12.924 -6.329 1.00 0.00 N ATOM 215 NH2 ARG A 16 -5.662 13.455 -5.444 1.00 0.00 N ATOM 0 H ARG A 16 -4.273 10.234 -3.585 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.322 7.507 -3.165 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.927 8.119 -4.863 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.157 6.888 -5.073 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.684 8.335 -6.801 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.757 8.920 -5.545 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.207 10.233 -5.240 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.686 10.347 -6.922 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.895 10.997 -5.151 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.916 12.225 -6.590 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.426 13.914 -6.489 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.545 13.166 -5.024 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.474 14.444 -5.605 1.00 0.00 H new ATOM 229 N VAL A 17 -3.681 7.021 -1.374 1.00 0.00 N ATOM 230 CA VAL A 17 -2.703 6.612 -0.374 1.00 0.00 C ATOM 231 C VAL A 17 -2.917 5.161 0.042 1.00 0.00 C ATOM 232 O VAL A 17 -3.732 4.870 0.918 1.00 0.00 O ATOM 233 CB VAL A 17 -2.769 7.509 0.875 1.00 0.00 C ATOM 234 CG1 VAL A 17 -1.791 7.023 1.935 1.00 0.00 C ATOM 235 CG2 VAL A 17 -2.491 8.958 0.507 1.00 0.00 C ATOM 0 H VAL A 17 -4.621 6.656 -1.218 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.719 6.714 -0.832 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.776 7.450 1.289 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.852 7.670 2.810 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.042 6.001 2.220 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.778 7.049 1.535 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.542 9.577 1.403 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.497 9.037 0.067 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.235 9.300 -0.213 1.00 0.00 H new ATOM 245 N VAL A 18 -2.179 4.255 -0.589 1.00 0.00 N ATOM 246 CA VAL A 18 -2.287 2.833 -0.283 1.00 0.00 C ATOM 247 C VAL A 18 -1.364 2.447 0.867 1.00 0.00 C ATOM 248 O VAL A 18 -0.151 2.332 0.694 1.00 0.00 O ATOM 249 CB VAL A 18 -1.947 1.967 -1.511 1.00 0.00 C ATOM 250 CG1 VAL A 18 -0.715 2.508 -2.221 1.00 0.00 C ATOM 251 CG2 VAL A 18 -1.741 0.517 -1.100 1.00 0.00 C ATOM 0 H VAL A 18 -1.499 4.480 -1.316 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.322 2.650 0.007 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.786 2.008 -2.206 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.490 1.884 -3.086 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.904 3.530 -2.550 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.133 2.499 -1.536 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.502 -0.080 -1.980 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.921 0.455 -0.385 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.653 0.136 -0.640 1.00 0.00 H new ATOM 261 N HIS A 19 -1.948 2.249 2.045 1.00 0.00 N ATOM 262 CA HIS A 19 -1.179 1.875 3.227 1.00 0.00 C ATOM 263 C HIS A 19 -0.872 0.380 3.225 1.00 0.00 C ATOM 264 O HIS A 19 -1.756 -0.443 2.983 1.00 0.00 O ATOM 265 CB HIS A 19 -1.941 2.250 4.498 1.00 0.00 C ATOM 266 CG HIS A 19 -1.211 1.901 5.759 1.00 0.00 C ATOM 267 ND1 HIS A 19 0.109 1.715 5.995 1.00 0.00 N flip ATOM 268 CD2 HIS A 19 -1.847 1.704 6.966 1.00 0.00 C flip ATOM 269 CE1 HIS A 19 0.244 1.412 7.328 1.00 0.00 C flip ATOM 270 NE2 HIS A 19 -0.950 1.412 7.890 1.00 0.00 N flip ATOM 0 H HIS A 19 -2.951 2.341 2.206 1.00 0.00 H new ATOM 0 HA HIS A 19 -0.236 2.421 3.204 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.142 3.321 4.489 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.907 1.745 4.495 1.00 0.00 H new ATOM 0 HD1 HIS A 19 0.862 1.786 5.311 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -2.912 1.777 7.130 1.00 0.00 H new ATOM 0 HE1 HIS A 19 1.176 1.207 7.834 1.00 0.00 H new ATOM 278 N ILE A 20 0.383 0.037 3.495 1.00 0.00 N ATOM 279 CA ILE A 20 0.803 -1.358 3.525 1.00 0.00 C ATOM 280 C ILE A 20 1.503 -1.693 4.838 1.00 0.00 C ATOM 281 O ILE A 20 2.442 -1.009 5.244 1.00 0.00 O ATOM 282 CB ILE A 20 1.749 -1.685 2.353 1.00 0.00 C ATOM 283 CG1 ILE A 20 1.191 -1.122 1.045 1.00 0.00 C ATOM 284 CG2 ILE A 20 1.955 -3.189 2.245 1.00 0.00 C ATOM 285 CD1 ILE A 20 2.218 -0.381 0.219 1.00 0.00 C ATOM 0 H ILE A 20 1.126 0.706 3.696 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.099 -1.962 3.433 1.00 0.00 H new ATOM 0 HB ILE A 20 2.715 -1.218 2.543 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.782 -1.940 0.452 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.365 -0.448 1.272 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.625 -3.406 1.413 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.392 -3.564 3.170 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.995 -3.676 2.074 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.752 -0.010 -0.694 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.610 0.458 0.793 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.033 -1.057 -0.039 1.00 0.00 H new ATOM 297 N MET A 21 1.039 -2.750 5.495 1.00 0.00 N ATOM 298 CA MET A 21 1.622 -3.178 6.762 1.00 0.00 C ATOM 299 C MET A 21 1.950 -4.668 6.733 1.00 0.00 C ATOM 300 O MET A 21 1.678 -5.355 5.747 1.00 0.00 O ATOM 301 CB MET A 21 0.665 -2.876 7.916 1.00 0.00 C ATOM 302 CG MET A 21 -0.221 -1.667 7.671 1.00 0.00 C ATOM 303 SD MET A 21 -1.935 -2.117 7.344 1.00 0.00 S ATOM 304 CE MET A 21 -2.102 -1.602 5.636 1.00 0.00 C ATOM 0 H MET A 21 0.262 -3.326 5.172 1.00 0.00 H new ATOM 0 HA MET A 21 2.548 -2.623 6.914 1.00 0.00 H new ATOM 0 HB2 MET A 21 0.035 -3.748 8.092 1.00 0.00 H new ATOM 0 HB3 MET A 21 1.245 -2.713 8.825 1.00 0.00 H new ATOM 0 HG2 MET A 21 -0.181 -1.010 8.540 1.00 0.00 H new ATOM 0 HG3 MET A 21 0.169 -1.101 6.826 1.00 0.00 H new ATOM 0 HE1 MET A 21 -2.811 -0.776 5.573 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.133 -1.278 5.257 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.465 -2.438 5.038 1.00 0.00 H new ATOM 314 N ASP A 22 2.535 -5.162 7.819 1.00 0.00 N ATOM 315 CA ASP A 22 2.898 -6.570 7.918 1.00 0.00 C ATOM 316 C ASP A 22 3.972 -6.927 6.896 1.00 0.00 C ATOM 317 O ASP A 22 4.331 -8.095 6.738 1.00 0.00 O ATOM 318 CB ASP A 22 1.667 -7.453 7.711 1.00 0.00 C ATOM 319 CG ASP A 22 1.256 -8.179 8.977 1.00 0.00 C ATOM 320 OD1 ASP A 22 2.152 -8.568 9.756 1.00 0.00 O ATOM 321 OD2 ASP A 22 0.040 -8.359 9.189 1.00 0.00 O ATOM 0 H ASP A 22 2.768 -4.608 8.643 1.00 0.00 H new ATOM 0 HA ASP A 22 3.298 -6.747 8.916 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.837 -6.838 7.362 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.874 -8.183 6.928 1.00 0.00 H new ATOM 326 N PHE A 23 4.483 -5.915 6.203 1.00 0.00 N ATOM 327 CA PHE A 23 5.515 -6.123 5.194 1.00 0.00 C ATOM 328 C PHE A 23 6.906 -6.046 5.815 1.00 0.00 C ATOM 329 O PHE A 23 7.128 -5.310 6.776 1.00 0.00 O ATOM 330 CB PHE A 23 5.383 -5.082 4.078 1.00 0.00 C ATOM 331 CG PHE A 23 5.819 -3.706 4.489 1.00 0.00 C ATOM 332 CD1 PHE A 23 4.919 -2.824 5.067 1.00 0.00 C ATOM 333 CD2 PHE A 23 7.127 -3.292 4.298 1.00 0.00 C ATOM 334 CE1 PHE A 23 5.317 -1.555 5.445 1.00 0.00 C ATOM 335 CE2 PHE A 23 7.532 -2.025 4.674 1.00 0.00 C ATOM 336 CZ PHE A 23 6.625 -1.155 5.249 1.00 0.00 C ATOM 0 H PHE A 23 4.199 -4.942 6.322 1.00 0.00 H new ATOM 0 HA PHE A 23 5.380 -7.119 4.771 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.976 -5.402 3.221 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.344 -5.043 3.750 1.00 0.00 H new ATOM 0 HD1 PHE A 23 3.896 -3.132 5.224 1.00 0.00 H new ATOM 0 HD2 PHE A 23 7.840 -3.968 3.849 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.606 -0.877 5.893 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.555 -1.716 4.519 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.938 -0.164 5.545 1.00 0.00 H new ATOM 346 N GLN A 24 7.839 -6.811 5.258 1.00 0.00 N ATOM 347 CA GLN A 24 9.209 -6.831 5.758 1.00 0.00 C ATOM 348 C GLN A 24 10.152 -6.122 4.791 1.00 0.00 C ATOM 349 O GLN A 24 9.715 -5.541 3.797 1.00 0.00 O ATOM 350 CB GLN A 24 9.674 -8.272 5.977 1.00 0.00 C ATOM 351 CG GLN A 24 8.992 -8.959 7.150 1.00 0.00 C ATOM 352 CD GLN A 24 9.596 -8.572 8.485 1.00 0.00 C ATOM 353 OE1 GLN A 24 9.609 -7.398 8.856 1.00 0.00 O ATOM 354 NE2 GLN A 24 10.100 -9.559 9.215 1.00 0.00 N ATOM 0 H GLN A 24 7.672 -7.425 4.461 1.00 0.00 H new ATOM 0 HA GLN A 24 9.229 -6.301 6.711 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.487 -8.847 5.070 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.752 -8.277 6.140 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.932 -8.705 7.148 1.00 0.00 H new ATOM 0 HG3 GLN A 24 9.062 -10.039 7.024 1.00 0.00 H new ATOM 0 HE21 GLN A 24 10.068 -10.518 8.868 1.00 0.00 H new ATOM 0 HE22 GLN A 24 10.520 -9.359 10.123 1.00 0.00 H new ATOM 363 N ARG A 25 11.446 -6.173 5.089 1.00 0.00 N ATOM 364 CA ARG A 25 12.449 -5.534 4.247 1.00 0.00 C ATOM 365 C ARG A 25 13.616 -6.481 3.978 1.00 0.00 C ATOM 366 O ARG A 25 13.761 -7.508 4.641 1.00 0.00 O ATOM 367 CB ARG A 25 12.961 -4.254 4.909 1.00 0.00 C ATOM 368 CG ARG A 25 11.854 -3.293 5.312 1.00 0.00 C ATOM 369 CD ARG A 25 12.289 -1.844 5.156 1.00 0.00 C ATOM 370 NE ARG A 25 12.558 -1.211 6.445 1.00 0.00 N ATOM 371 CZ ARG A 25 11.617 -0.659 7.203 1.00 0.00 C ATOM 372 NH1 ARG A 25 10.352 -0.663 6.803 1.00 0.00 N ATOM 373 NH2 ARG A 25 11.940 -0.102 8.363 1.00 0.00 N ATOM 0 H ARG A 25 11.824 -6.650 5.907 1.00 0.00 H new ATOM 0 HA ARG A 25 11.981 -5.281 3.296 1.00 0.00 H new ATOM 0 HB2 ARG A 25 13.541 -4.519 5.793 1.00 0.00 H new ATOM 0 HB3 ARG A 25 13.640 -3.747 4.223 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.971 -3.477 4.700 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.569 -3.479 6.347 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.185 -1.799 4.536 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.512 -1.286 4.634 1.00 0.00 H new ATOM 0 HE ARG A 25 13.521 -1.192 6.781 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.100 -1.091 5.912 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.631 -0.239 7.387 1.00 0.00 H new ATOM 0 HH21 ARG A 25 12.912 -0.097 8.674 1.00 0.00 H new ATOM 0 HH22 ARG A 25 11.217 0.322 8.944 1.00 0.00 H new ATOM 387 N GLY A 26 14.446 -6.127 3.002 1.00 0.00 N ATOM 388 CA GLY A 26 15.588 -6.956 2.662 1.00 0.00 C ATOM 389 C GLY A 26 16.247 -6.532 1.365 1.00 0.00 C ATOM 390 O GLY A 26 16.915 -5.500 1.307 1.00 0.00 O ATOM 0 H GLY A 26 14.348 -5.281 2.441 1.00 0.00 H new ATOM 0 HA2 GLY A 26 16.319 -6.910 3.469 1.00 0.00 H new ATOM 0 HA3 GLY A 26 15.268 -7.995 2.580 1.00 0.00 H new ATOM 394 N LYS A 27 16.060 -7.331 0.319 1.00 0.00 N ATOM 395 CA LYS A 27 16.641 -7.034 -0.985 1.00 0.00 C ATOM 396 C LYS A 27 15.563 -6.603 -1.975 1.00 0.00 C ATOM 397 O LYS A 27 14.682 -7.386 -2.326 1.00 0.00 O ATOM 398 CB LYS A 27 17.385 -8.257 -1.524 1.00 0.00 C ATOM 399 CG LYS A 27 18.724 -7.922 -2.160 1.00 0.00 C ATOM 400 CD LYS A 27 19.535 -9.175 -2.445 1.00 0.00 C ATOM 401 CE LYS A 27 19.644 -9.441 -3.939 1.00 0.00 C ATOM 402 NZ LYS A 27 20.617 -10.528 -4.240 1.00 0.00 N ATOM 0 H LYS A 27 15.510 -8.190 0.350 1.00 0.00 H new ATOM 0 HA LYS A 27 17.346 -6.212 -0.863 1.00 0.00 H new ATOM 0 HB2 LYS A 27 17.546 -8.963 -0.709 1.00 0.00 H new ATOM 0 HB3 LYS A 27 16.757 -8.758 -2.261 1.00 0.00 H new ATOM 0 HG2 LYS A 27 18.560 -7.375 -3.088 1.00 0.00 H new ATOM 0 HG3 LYS A 27 19.288 -7.265 -1.498 1.00 0.00 H new ATOM 0 HD2 LYS A 27 20.533 -9.068 -2.020 1.00 0.00 H new ATOM 0 HD3 LYS A 27 19.069 -10.030 -1.955 1.00 0.00 H new ATOM 0 HE2 LYS A 27 18.664 -9.712 -4.332 1.00 0.00 H new ATOM 0 HE3 LYS A 27 19.951 -8.528 -4.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 20.662 -10.679 -5.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 21.558 -10.259 -3.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 20.311 -11.406 -3.775 1.00 0.00 H new ATOM 416 N ASN A 28 15.642 -5.355 -2.422 1.00 0.00 N ATOM 417 CA ASN A 28 14.675 -4.821 -3.374 1.00 0.00 C ATOM 418 C ASN A 28 13.305 -4.656 -2.722 1.00 0.00 C ATOM 419 O ASN A 28 12.271 -4.792 -3.379 1.00 0.00 O ATOM 420 CB ASN A 28 14.564 -5.741 -4.592 1.00 0.00 C ATOM 421 CG ASN A 28 15.920 -6.199 -5.094 1.00 0.00 C ATOM 422 OD1 ASN A 28 16.192 -7.397 -5.174 1.00 0.00 O ATOM 423 ND2 ASN A 28 16.777 -5.245 -5.437 1.00 0.00 N ATOM 0 H ASN A 28 16.366 -4.694 -2.140 1.00 0.00 H new ATOM 0 HA ASN A 28 15.025 -3.841 -3.698 1.00 0.00 H new ATOM 0 HB2 ASN A 28 13.962 -6.612 -4.333 1.00 0.00 H new ATOM 0 HB3 ASN A 28 14.040 -5.218 -5.393 1.00 0.00 H new ATOM 0 HD21 ASN A 28 17.704 -5.493 -5.783 1.00 0.00 H new ATOM 0 HD22 ASN A 28 16.509 -4.264 -5.354 1.00 0.00 H new ATOM 430 N LEU A 29 13.305 -4.361 -1.427 1.00 0.00 N ATOM 431 CA LEU A 29 12.062 -4.175 -0.684 1.00 0.00 C ATOM 432 C LEU A 29 11.225 -3.056 -1.294 1.00 0.00 C ATOM 433 O LEU A 29 10.063 -3.259 -1.649 1.00 0.00 O ATOM 434 CB LEU A 29 12.363 -3.862 0.782 1.00 0.00 C ATOM 435 CG LEU A 29 11.192 -3.329 1.608 1.00 0.00 C ATOM 436 CD1 LEU A 29 10.965 -1.852 1.321 1.00 0.00 C ATOM 437 CD2 LEU A 29 9.931 -4.130 1.324 1.00 0.00 C ATOM 0 H LEU A 29 14.151 -4.245 -0.869 1.00 0.00 H new ATOM 0 HA LEU A 29 11.491 -5.102 -0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 29 12.734 -4.770 1.258 1.00 0.00 H new ATOM 0 HB3 LEU A 29 13.170 -3.130 0.818 1.00 0.00 H new ATOM 0 HG LEU A 29 11.437 -3.439 2.664 1.00 0.00 H new ATOM 0 HD11 LEU A 29 10.128 -1.490 1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 29 11.863 -1.289 1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.741 -1.717 0.263 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.108 -3.737 1.921 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.681 -4.053 0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 29 10.098 -5.176 1.582 1.00 0.00 H new ATOM 449 N ARG A 30 11.824 -1.876 -1.417 1.00 0.00 N ATOM 450 CA ARG A 30 11.134 -0.725 -1.985 1.00 0.00 C ATOM 451 C ARG A 30 10.377 -1.115 -3.252 1.00 0.00 C ATOM 452 O ARG A 30 9.436 -0.434 -3.660 1.00 0.00 O ATOM 453 CB ARG A 30 12.131 0.392 -2.298 1.00 0.00 C ATOM 454 CG ARG A 30 11.476 1.739 -2.558 1.00 0.00 C ATOM 455 CD ARG A 30 12.412 2.678 -3.304 1.00 0.00 C ATOM 456 NE ARG A 30 13.775 2.620 -2.783 1.00 0.00 N ATOM 457 CZ ARG A 30 14.777 3.349 -3.263 1.00 0.00 C ATOM 458 NH1 ARG A 30 14.569 4.187 -4.269 1.00 0.00 N ATOM 459 NH2 ARG A 30 15.990 3.240 -2.736 1.00 0.00 N ATOM 0 H ARG A 30 12.786 -1.692 -1.131 1.00 0.00 H new ATOM 0 HA ARG A 30 10.415 -0.365 -1.249 1.00 0.00 H new ATOM 0 HB2 ARG A 30 12.826 0.491 -1.464 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.718 0.109 -3.171 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.564 1.596 -3.138 1.00 0.00 H new ATOM 0 HG3 ARG A 30 11.183 2.192 -1.611 1.00 0.00 H new ATOM 0 HD2 ARG A 30 12.417 2.419 -4.363 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.038 3.699 -3.228 1.00 0.00 H new ATOM 0 HE ARG A 30 13.968 1.985 -2.008 1.00 0.00 H new ATOM 0 HH11 ARG A 30 13.638 4.273 -4.677 1.00 0.00 H new ATOM 0 HH12 ARG A 30 15.340 4.745 -4.635 1.00 0.00 H new ATOM 0 HH21 ARG A 30 16.154 2.596 -1.962 1.00 0.00 H new ATOM 0 HH22 ARG A 30 16.759 3.800 -3.105 1.00 0.00 H new ATOM 473 N TYR A 31 10.795 -2.214 -3.870 1.00 0.00 N ATOM 474 CA TYR A 31 10.160 -2.693 -5.091 1.00 0.00 C ATOM 475 C TYR A 31 9.023 -3.658 -4.771 1.00 0.00 C ATOM 476 O TYR A 31 7.975 -3.635 -5.415 1.00 0.00 O ATOM 477 CB TYR A 31 11.189 -3.379 -5.990 1.00 0.00 C ATOM 478 CG TYR A 31 10.573 -4.153 -7.135 1.00 0.00 C ATOM 479 CD1 TYR A 31 9.958 -5.380 -6.918 1.00 0.00 C ATOM 480 CD2 TYR A 31 10.606 -3.656 -8.431 1.00 0.00 C ATOM 481 CE1 TYR A 31 9.395 -6.090 -7.960 1.00 0.00 C ATOM 482 CE2 TYR A 31 10.043 -4.360 -9.479 1.00 0.00 C ATOM 483 CZ TYR A 31 9.440 -5.575 -9.239 1.00 0.00 C ATOM 484 OH TYR A 31 8.879 -6.280 -10.280 1.00 0.00 O ATOM 0 H TYR A 31 11.571 -2.790 -3.545 1.00 0.00 H new ATOM 0 HA TYR A 31 9.745 -1.833 -5.616 1.00 0.00 H new ATOM 0 HB2 TYR A 31 11.866 -2.626 -6.394 1.00 0.00 H new ATOM 0 HB3 TYR A 31 11.791 -4.058 -5.386 1.00 0.00 H new ATOM 0 HD1 TYR A 31 9.920 -5.785 -5.918 1.00 0.00 H new ATOM 0 HD2 TYR A 31 11.079 -2.704 -8.623 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.922 -7.043 -7.775 1.00 0.00 H new ATOM 0 HE2 TYR A 31 10.076 -3.959 -10.481 1.00 0.00 H new ATOM 0 HH TYR A 31 8.995 -5.779 -11.114 1.00 0.00 H new ATOM 494 N GLN A 32 9.239 -4.507 -3.770 1.00 0.00 N ATOM 495 CA GLN A 32 8.234 -5.481 -3.364 1.00 0.00 C ATOM 496 C GLN A 32 6.917 -4.793 -3.020 1.00 0.00 C ATOM 497 O GLN A 32 5.841 -5.372 -3.180 1.00 0.00 O ATOM 498 CB GLN A 32 8.730 -6.287 -2.162 1.00 0.00 C ATOM 499 CG GLN A 32 10.039 -7.017 -2.418 1.00 0.00 C ATOM 500 CD GLN A 32 9.894 -8.523 -2.337 1.00 0.00 C ATOM 501 OE1 GLN A 32 9.190 -9.045 -1.472 1.00 0.00 O ATOM 502 NE2 GLN A 32 10.560 -9.232 -3.241 1.00 0.00 N ATOM 0 H GLN A 32 10.101 -4.539 -3.226 1.00 0.00 H new ATOM 0 HA GLN A 32 8.062 -6.158 -4.201 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.858 -5.616 -1.313 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.967 -7.013 -1.882 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.415 -6.745 -3.404 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.782 -6.688 -1.691 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.132 -8.758 -3.940 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.500 -10.250 -3.236 1.00 0.00 H new ATOM 511 N LEU A 33 7.008 -3.554 -2.547 1.00 0.00 N ATOM 512 CA LEU A 33 5.823 -2.786 -2.180 1.00 0.00 C ATOM 513 C LEU A 33 5.282 -2.014 -3.380 1.00 0.00 C ATOM 514 O LEU A 33 4.072 -1.971 -3.609 1.00 0.00 O ATOM 515 CB LEU A 33 6.151 -1.820 -1.041 1.00 0.00 C ATOM 516 CG LEU A 33 6.742 -2.445 0.222 1.00 0.00 C ATOM 517 CD1 LEU A 33 7.190 -1.365 1.194 1.00 0.00 C ATOM 518 CD2 LEU A 33 5.731 -3.372 0.880 1.00 0.00 C ATOM 0 H LEU A 33 7.890 -3.060 -2.409 1.00 0.00 H new ATOM 0 HA LEU A 33 5.056 -3.484 -1.845 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.852 -1.074 -1.415 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.239 -1.290 -0.767 1.00 0.00 H new ATOM 0 HG LEU A 33 7.615 -3.033 -0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.608 -1.830 2.087 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.948 -0.741 0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.335 -0.748 1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.168 -3.809 1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.839 -2.806 1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.460 -4.167 0.185 1.00 0.00 H new ATOM 530 N LEU A 34 6.185 -1.408 -4.142 1.00 0.00 N ATOM 531 CA LEU A 34 5.799 -0.638 -5.320 1.00 0.00 C ATOM 532 C LEU A 34 5.261 -1.553 -6.415 1.00 0.00 C ATOM 533 O LEU A 34 4.511 -1.117 -7.288 1.00 0.00 O ATOM 534 CB LEU A 34 6.993 0.159 -5.846 1.00 0.00 C ATOM 535 CG LEU A 34 7.459 1.325 -4.974 1.00 0.00 C ATOM 536 CD1 LEU A 34 8.826 1.817 -5.427 1.00 0.00 C ATOM 537 CD2 LEU A 34 6.444 2.457 -5.010 1.00 0.00 C ATOM 0 H LEU A 34 7.189 -1.434 -3.966 1.00 0.00 H new ATOM 0 HA LEU A 34 5.009 0.054 -5.029 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.831 -0.526 -5.980 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.739 0.548 -6.832 1.00 0.00 H new ATOM 0 HG LEU A 34 7.544 0.973 -3.946 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.142 2.647 -4.795 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.549 1.005 -5.348 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.767 2.151 -6.463 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.792 3.278 -4.384 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.326 2.807 -6.035 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.485 2.098 -4.637 1.00 0.00 H new ATOM 549 N GLN A 35 5.646 -2.824 -6.360 1.00 0.00 N ATOM 550 CA GLN A 35 5.201 -3.800 -7.348 1.00 0.00 C ATOM 551 C GLN A 35 3.735 -4.161 -7.133 1.00 0.00 C ATOM 552 O GLN A 35 3.109 -4.793 -7.986 1.00 0.00 O ATOM 553 CB GLN A 35 6.065 -5.060 -7.276 1.00 0.00 C ATOM 554 CG GLN A 35 5.776 -5.928 -6.061 1.00 0.00 C ATOM 555 CD GLN A 35 5.933 -7.407 -6.351 1.00 0.00 C ATOM 556 OE1 GLN A 35 6.588 -8.132 -5.601 1.00 0.00 O ATOM 557 NE2 GLN A 35 5.330 -7.865 -7.441 1.00 0.00 N ATOM 0 H GLN A 35 6.265 -3.202 -5.642 1.00 0.00 H new ATOM 0 HA GLN A 35 5.305 -3.353 -8.337 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.908 -5.650 -8.179 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.116 -4.770 -7.263 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.448 -5.647 -5.250 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.761 -5.735 -5.715 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.797 -7.229 -8.034 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.399 -8.853 -7.685 1.00 0.00 H new ATOM 566 N LEU A 36 3.193 -3.758 -5.990 1.00 0.00 N ATOM 567 CA LEU A 36 1.800 -4.039 -5.662 1.00 0.00 C ATOM 568 C LEU A 36 0.872 -3.003 -6.290 1.00 0.00 C ATOM 569 O LEU A 36 -0.340 -3.204 -6.364 1.00 0.00 O ATOM 570 CB LEU A 36 1.607 -4.061 -4.145 1.00 0.00 C ATOM 571 CG LEU A 36 2.490 -5.038 -3.369 1.00 0.00 C ATOM 572 CD1 LEU A 36 2.485 -4.702 -1.886 1.00 0.00 C ATOM 573 CD2 LEU A 36 2.027 -6.470 -3.594 1.00 0.00 C ATOM 0 H LEU A 36 3.697 -3.235 -5.274 1.00 0.00 H new ATOM 0 HA LEU A 36 1.548 -5.018 -6.068 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.787 -3.057 -3.762 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.564 -4.300 -3.935 1.00 0.00 H new ATOM 0 HG LEU A 36 3.511 -4.945 -3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.119 -5.409 -1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.865 -3.691 -1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.467 -4.765 -1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.667 -7.152 -3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.997 -6.577 -3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.085 -6.708 -4.656 1.00 0.00 H new ATOM 585 N VAL A 37 1.452 -1.895 -6.741 1.00 0.00 N ATOM 586 CA VAL A 37 0.678 -0.828 -7.365 1.00 0.00 C ATOM 587 C VAL A 37 1.212 -0.505 -8.757 1.00 0.00 C ATOM 588 O VAL A 37 0.489 0.019 -9.603 1.00 0.00 O ATOM 589 CB VAL A 37 0.696 0.452 -6.510 1.00 0.00 C ATOM 590 CG1 VAL A 37 0.166 0.168 -5.114 1.00 0.00 C ATOM 591 CG2 VAL A 37 2.101 1.032 -6.449 1.00 0.00 C ATOM 0 H VAL A 37 2.454 -1.713 -6.686 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.348 -1.186 -7.446 1.00 0.00 H new ATOM 0 HB VAL A 37 0.044 1.190 -6.977 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.186 1.084 -4.524 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.859 -0.198 -5.181 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.790 -0.586 -4.634 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.095 1.936 -5.841 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.777 0.301 -6.006 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.438 1.275 -7.457 1.00 0.00 H new ATOM 601 N GLU A 38 2.483 -0.822 -8.986 1.00 0.00 N ATOM 602 CA GLU A 38 3.113 -0.564 -10.275 1.00 0.00 C ATOM 603 C GLU A 38 2.207 -1.001 -11.421 1.00 0.00 C ATOM 604 O GLU A 38 1.796 -0.200 -12.261 1.00 0.00 O ATOM 605 CB GLU A 38 4.456 -1.292 -10.365 1.00 0.00 C ATOM 606 CG GLU A 38 5.646 -0.359 -10.506 1.00 0.00 C ATOM 607 CD GLU A 38 6.340 -0.496 -11.848 1.00 0.00 C ATOM 608 OE1 GLU A 38 5.687 -0.251 -12.883 1.00 0.00 O ATOM 609 OE2 GLU A 38 7.538 -0.849 -11.862 1.00 0.00 O ATOM 0 H GLU A 38 3.095 -1.257 -8.296 1.00 0.00 H new ATOM 0 HA GLU A 38 3.283 0.509 -10.359 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.589 -1.904 -9.473 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.435 -1.971 -11.217 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.313 0.671 -10.377 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.361 -0.565 -9.709 1.00 0.00 H new ATOM 616 N PRO A 39 1.886 -2.303 -11.458 1.00 0.00 N ATOM 617 CA PRO A 39 1.025 -2.878 -12.496 1.00 0.00 C ATOM 618 C PRO A 39 -0.425 -2.424 -12.362 1.00 0.00 C ATOM 619 O PRO A 39 -1.290 -2.843 -13.132 1.00 0.00 O ATOM 620 CB PRO A 39 1.138 -4.385 -12.257 1.00 0.00 C ATOM 621 CG PRO A 39 1.493 -4.514 -10.816 1.00 0.00 C ATOM 622 CD PRO A 39 2.340 -3.315 -10.489 1.00 0.00 C ATOM 0 HA PRO A 39 1.329 -2.568 -13.496 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.200 -4.893 -12.481 1.00 0.00 H new ATOM 0 HB3 PRO A 39 1.902 -4.831 -12.894 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.598 -4.541 -10.195 1.00 0.00 H new ATOM 0 HG3 PRO A 39 2.038 -5.439 -10.630 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.189 -2.984 -9.462 1.00 0.00 H new ATOM 0 HD3 PRO A 39 3.403 -3.531 -10.601 1.00 0.00 H new ATOM 630 N PHE A 40 -0.684 -1.566 -11.381 1.00 0.00 N ATOM 631 CA PHE A 40 -2.029 -1.057 -11.146 1.00 0.00 C ATOM 632 C PHE A 40 -2.141 0.403 -11.577 1.00 0.00 C ATOM 633 O PHE A 40 -3.239 0.946 -11.692 1.00 0.00 O ATOM 634 CB PHE A 40 -2.400 -1.194 -9.668 1.00 0.00 C ATOM 635 CG PHE A 40 -2.621 -2.615 -9.236 1.00 0.00 C ATOM 636 CD1 PHE A 40 -3.856 -3.221 -9.405 1.00 0.00 C ATOM 637 CD2 PHE A 40 -1.594 -3.346 -8.659 1.00 0.00 C ATOM 638 CE1 PHE A 40 -4.062 -4.528 -9.007 1.00 0.00 C ATOM 639 CE2 PHE A 40 -1.795 -4.654 -8.260 1.00 0.00 C ATOM 640 CZ PHE A 40 -3.030 -5.245 -8.435 1.00 0.00 C ATOM 0 H PHE A 40 0.021 -1.209 -10.736 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.723 -1.649 -11.743 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.608 -0.757 -9.060 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.305 -0.618 -9.474 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.667 -2.665 -9.853 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.626 -2.888 -8.520 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.029 -4.988 -9.143 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.987 -5.213 -7.812 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.189 -6.267 -8.125 1.00 0.00 H new ATOM 650 N GLY A 41 -0.994 1.034 -11.811 1.00 0.00 N ATOM 651 CA GLY A 41 -0.983 2.425 -12.224 1.00 0.00 C ATOM 652 C GLY A 41 0.412 3.016 -12.236 1.00 0.00 C ATOM 653 O GLY A 41 1.395 2.302 -12.436 1.00 0.00 O ATOM 0 H GLY A 41 -0.072 0.606 -11.722 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.418 2.508 -13.220 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.614 3.005 -11.551 1.00 0.00 H new ATOM 657 N VAL A 42 0.501 4.325 -12.022 1.00 0.00 N ATOM 658 CA VAL A 42 1.787 5.012 -12.010 1.00 0.00 C ATOM 659 C VAL A 42 2.183 5.409 -10.592 1.00 0.00 C ATOM 660 O VAL A 42 1.328 5.710 -9.758 1.00 0.00 O ATOM 661 CB VAL A 42 1.758 6.273 -12.894 1.00 0.00 C ATOM 662 CG1 VAL A 42 0.426 6.994 -12.754 1.00 0.00 C ATOM 663 CG2 VAL A 42 2.913 7.197 -12.541 1.00 0.00 C ATOM 0 H VAL A 42 -0.302 4.931 -11.855 1.00 0.00 H new ATOM 0 HA VAL A 42 2.523 4.314 -12.409 1.00 0.00 H new ATOM 0 HB VAL A 42 1.871 5.968 -13.934 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.425 7.882 -13.386 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.382 6.329 -13.061 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.279 7.288 -11.715 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.877 8.083 -13.175 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.834 7.496 -11.496 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.857 6.676 -12.699 1.00 0.00 H new ATOM 673 N ILE A 43 3.485 5.406 -10.325 1.00 0.00 N ATOM 674 CA ILE A 43 3.996 5.767 -9.008 1.00 0.00 C ATOM 675 C ILE A 43 4.257 7.267 -8.913 1.00 0.00 C ATOM 676 O ILE A 43 5.129 7.800 -9.598 1.00 0.00 O ATOM 677 CB ILE A 43 5.296 5.009 -8.682 1.00 0.00 C ATOM 678 CG1 ILE A 43 5.124 3.514 -8.958 1.00 0.00 C ATOM 679 CG2 ILE A 43 5.696 5.243 -7.232 1.00 0.00 C ATOM 680 CD1 ILE A 43 4.149 2.835 -8.020 1.00 0.00 C ATOM 0 H ILE A 43 4.205 5.158 -11.003 1.00 0.00 H new ATOM 0 HA ILE A 43 3.231 5.487 -8.284 1.00 0.00 H new ATOM 0 HB ILE A 43 6.091 5.388 -9.324 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.782 3.379 -9.984 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.094 3.024 -8.878 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.617 4.701 -7.017 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.855 6.308 -7.066 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.903 4.887 -6.574 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.077 1.777 -8.274 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.500 2.939 -6.993 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.168 3.299 -8.117 1.00 0.00 H new ATOM 692 N SER A 44 3.496 7.940 -8.055 1.00 0.00 N ATOM 693 CA SER A 44 3.643 9.379 -7.870 1.00 0.00 C ATOM 694 C SER A 44 4.655 9.684 -6.768 1.00 0.00 C ATOM 695 O SER A 44 5.530 10.531 -6.933 1.00 0.00 O ATOM 696 CB SER A 44 2.293 10.011 -7.528 1.00 0.00 C ATOM 697 OG SER A 44 1.805 10.788 -8.608 1.00 0.00 O ATOM 0 H SER A 44 2.772 7.512 -7.478 1.00 0.00 H new ATOM 0 HA SER A 44 4.009 9.806 -8.804 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.573 9.229 -7.284 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.395 10.638 -6.642 1.00 0.00 H new ATOM 0 HG SER A 44 1.027 11.305 -8.313 1.00 0.00 H new ATOM 703 N ASN A 45 4.524 8.986 -5.645 1.00 0.00 N ATOM 704 CA ASN A 45 5.426 9.182 -4.515 1.00 0.00 C ATOM 705 C ASN A 45 5.139 8.170 -3.409 1.00 0.00 C ATOM 706 O ASN A 45 3.999 8.023 -2.968 1.00 0.00 O ATOM 707 CB ASN A 45 5.291 10.604 -3.969 1.00 0.00 C ATOM 708 CG ASN A 45 6.293 11.560 -4.589 1.00 0.00 C ATOM 709 OD1 ASN A 45 7.491 11.279 -4.629 1.00 0.00 O ATOM 710 ND2 ASN A 45 5.805 12.695 -5.075 1.00 0.00 N ATOM 0 H ASN A 45 3.803 8.280 -5.493 1.00 0.00 H new ATOM 0 HA ASN A 45 6.447 9.031 -4.866 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.281 10.968 -4.158 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.428 10.590 -2.888 1.00 0.00 H new ATOM 0 HD21 ASN A 45 6.431 13.377 -5.504 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.804 12.885 -5.020 1.00 0.00 H new ATOM 717 N HIS A 46 6.182 7.477 -2.965 1.00 0.00 N ATOM 718 CA HIS A 46 6.043 6.479 -1.910 1.00 0.00 C ATOM 719 C HIS A 46 6.828 6.891 -0.667 1.00 0.00 C ATOM 720 O HIS A 46 7.763 7.688 -0.746 1.00 0.00 O ATOM 721 CB HIS A 46 6.524 5.114 -2.402 1.00 0.00 C ATOM 722 CG HIS A 46 8.014 4.969 -2.403 1.00 0.00 C ATOM 723 ND1 HIS A 46 8.856 5.851 -3.048 1.00 0.00 N ATOM 724 CD2 HIS A 46 8.814 4.039 -1.832 1.00 0.00 C ATOM 725 CE1 HIS A 46 10.108 5.468 -2.875 1.00 0.00 C ATOM 726 NE2 HIS A 46 10.111 4.371 -2.140 1.00 0.00 N ATOM 0 H HIS A 46 7.132 7.588 -3.319 1.00 0.00 H new ATOM 0 HA HIS A 46 4.988 6.409 -1.646 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.092 4.337 -1.772 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.150 4.949 -3.413 1.00 0.00 H new ATOM 0 HD1 HIS A 46 8.558 6.671 -3.576 1.00 0.00 H new ATOM 0 HD2 HIS A 46 8.492 3.193 -1.243 1.00 0.00 H new ATOM 0 HE1 HIS A 46 10.981 5.967 -3.268 1.00 0.00 H new ATOM 734 N LEU A 47 6.440 6.342 0.479 1.00 0.00 N ATOM 735 CA LEU A 47 7.106 6.653 1.740 1.00 0.00 C ATOM 736 C LEU A 47 7.270 5.399 2.592 1.00 0.00 C ATOM 737 O LEU A 47 6.309 4.666 2.827 1.00 0.00 O ATOM 738 CB LEU A 47 6.313 7.709 2.512 1.00 0.00 C ATOM 739 CG LEU A 47 6.765 7.969 3.949 1.00 0.00 C ATOM 740 CD1 LEU A 47 6.105 9.224 4.497 1.00 0.00 C ATOM 741 CD2 LEU A 47 6.450 6.770 4.832 1.00 0.00 C ATOM 0 H LEU A 47 5.668 5.680 0.561 1.00 0.00 H new ATOM 0 HA LEU A 47 8.096 7.047 1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.364 8.648 1.961 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.266 7.407 2.531 1.00 0.00 H new ATOM 0 HG LEU A 47 7.844 8.121 3.948 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.439 9.393 5.521 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.380 10.079 3.880 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.022 9.101 4.484 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.779 6.973 5.851 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.376 6.587 4.827 1.00 0.00 H new ATOM 0 HD23 LEU A 47 6.970 5.891 4.451 1.00 0.00 H new ATOM 753 N ILE A 48 8.492 5.159 3.055 1.00 0.00 N ATOM 754 CA ILE A 48 8.780 3.996 3.885 1.00 0.00 C ATOM 755 C ILE A 48 9.492 4.401 5.170 1.00 0.00 C ATOM 756 O ILE A 48 10.699 4.651 5.173 1.00 0.00 O ATOM 757 CB ILE A 48 9.647 2.969 3.132 1.00 0.00 C ATOM 758 CG1 ILE A 48 9.288 2.957 1.646 1.00 0.00 C ATOM 759 CG2 ILE A 48 9.471 1.584 3.736 1.00 0.00 C ATOM 760 CD1 ILE A 48 9.974 1.857 0.866 1.00 0.00 C ATOM 0 H ILE A 48 9.299 5.755 2.869 1.00 0.00 H new ATOM 0 HA ILE A 48 7.822 3.539 4.132 1.00 0.00 H new ATOM 0 HB ILE A 48 10.694 3.257 3.231 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.209 2.846 1.542 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.552 3.920 1.209 1.00 0.00 H new ATOM 0 HG21 ILE A 48 10.090 0.869 3.193 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.772 1.603 4.783 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.425 1.286 3.664 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.672 1.910 -0.180 1.00 0.00 H new ATOM 0 HD12 ILE A 48 11.055 1.979 0.938 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.690 0.888 1.277 1.00 0.00 H new ATOM 772 N LEU A 49 8.740 4.462 6.263 1.00 0.00 N ATOM 773 CA LEU A 49 9.299 4.836 7.558 1.00 0.00 C ATOM 774 C LEU A 49 10.386 3.854 7.984 1.00 0.00 C ATOM 775 O LEU A 49 10.229 2.642 7.850 1.00 0.00 O ATOM 776 CB LEU A 49 8.196 4.884 8.617 1.00 0.00 C ATOM 777 CG LEU A 49 6.960 5.712 8.262 1.00 0.00 C ATOM 778 CD1 LEU A 49 5.797 5.350 9.171 1.00 0.00 C ATOM 779 CD2 LEU A 49 7.271 7.199 8.356 1.00 0.00 C ATOM 0 H LEU A 49 7.741 4.257 6.279 1.00 0.00 H new ATOM 0 HA LEU A 49 9.745 5.826 7.462 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.877 3.863 8.827 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.622 5.281 9.539 1.00 0.00 H new ATOM 0 HG LEU A 49 6.675 5.485 7.235 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.926 5.949 8.904 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.560 4.293 9.055 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.070 5.549 10.207 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.381 7.774 8.100 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.581 7.442 9.372 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.075 7.447 7.663 1.00 0.00 H new ATOM 791 N ASN A 50 11.488 4.388 8.502 1.00 0.00 N ATOM 792 CA ASN A 50 12.601 3.559 8.950 1.00 0.00 C ATOM 793 C ASN A 50 12.499 3.271 10.444 1.00 0.00 C ATOM 794 O ASN A 50 13.498 3.299 11.163 1.00 0.00 O ATOM 795 CB ASN A 50 13.933 4.247 8.641 1.00 0.00 C ATOM 796 CG ASN A 50 14.930 3.310 7.987 1.00 0.00 C ATOM 797 OD1 ASN A 50 14.923 3.130 6.770 1.00 0.00 O ATOM 798 ND2 ASN A 50 15.794 2.707 8.796 1.00 0.00 N ATOM 0 H ASN A 50 11.634 5.390 8.622 1.00 0.00 H new ATOM 0 HA ASN A 50 12.555 2.612 8.412 1.00 0.00 H new ATOM 0 HB2 ASN A 50 13.755 5.099 7.985 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.359 4.639 9.564 1.00 0.00 H new ATOM 0 HD21 ASN A 50 16.488 2.065 8.413 1.00 0.00 H new ATOM 0 HD22 ASN A 50 15.763 2.886 9.800 1.00 0.00 H new ATOM 805 N LYS A 51 11.284 2.996 10.906 1.00 0.00 N ATOM 806 CA LYS A 51 11.048 2.701 12.315 1.00 0.00 C ATOM 807 C LYS A 51 10.222 1.429 12.473 1.00 0.00 C ATOM 808 O LYS A 51 10.542 0.569 13.293 1.00 0.00 O ATOM 809 CB LYS A 51 10.334 3.874 12.989 1.00 0.00 C ATOM 810 CG LYS A 51 11.100 5.183 12.904 1.00 0.00 C ATOM 811 CD LYS A 51 10.817 6.074 14.102 1.00 0.00 C ATOM 812 CE LYS A 51 9.540 6.877 13.910 1.00 0.00 C ATOM 813 NZ LYS A 51 8.768 7.003 15.178 1.00 0.00 N ATOM 0 H LYS A 51 10.446 2.971 10.325 1.00 0.00 H new ATOM 0 HA LYS A 51 12.014 2.547 12.796 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.355 4.005 12.529 1.00 0.00 H new ATOM 0 HB3 LYS A 51 10.163 3.630 14.038 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.169 4.977 12.847 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.827 5.706 11.988 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.732 5.462 15.000 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.655 6.753 14.258 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.788 7.870 13.536 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.920 6.397 13.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.905 7.557 15.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.509 6.056 15.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.351 7.484 15.893 1.00 0.00 H new ATOM 827 N ILE A 52 9.159 1.317 11.683 1.00 0.00 N ATOM 828 CA ILE A 52 8.288 0.149 11.735 1.00 0.00 C ATOM 829 C ILE A 52 7.992 -0.378 10.336 1.00 0.00 C ATOM 830 O ILE A 52 8.488 0.153 9.343 1.00 0.00 O ATOM 831 CB ILE A 52 6.959 0.468 12.444 1.00 0.00 C ATOM 832 CG1 ILE A 52 6.024 1.229 11.503 1.00 0.00 C ATOM 833 CG2 ILE A 52 7.214 1.273 13.710 1.00 0.00 C ATOM 834 CD1 ILE A 52 6.540 2.596 11.113 1.00 0.00 C ATOM 0 H ILE A 52 8.880 2.021 10.999 1.00 0.00 H new ATOM 0 HA ILE A 52 8.818 -0.615 12.304 1.00 0.00 H new ATOM 0 HB ILE A 52 6.479 -0.470 12.723 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.869 0.637 10.601 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.051 1.340 11.982 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.265 1.491 14.200 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.848 0.698 14.385 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.712 2.208 13.453 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.826 3.078 10.445 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.668 3.205 12.008 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.499 2.492 10.605 1.00 0.00 H new ATOM 846 N ASN A 53 7.177 -1.426 10.265 1.00 0.00 N ATOM 847 CA ASN A 53 6.812 -2.026 8.987 1.00 0.00 C ATOM 848 C ASN A 53 5.610 -1.314 8.375 1.00 0.00 C ATOM 849 O ASN A 53 4.646 -1.953 7.955 1.00 0.00 O ATOM 850 CB ASN A 53 6.502 -3.514 9.166 1.00 0.00 C ATOM 851 CG ASN A 53 7.755 -4.345 9.362 1.00 0.00 C ATOM 852 OD1 ASN A 53 8.870 -3.824 9.344 1.00 0.00 O ATOM 853 ND2 ASN A 53 7.576 -5.647 9.551 1.00 0.00 N ATOM 0 H ASN A 53 6.757 -1.877 11.078 1.00 0.00 H new ATOM 0 HA ASN A 53 7.659 -1.918 8.310 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.844 -3.645 10.025 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.961 -3.877 8.292 1.00 0.00 H new ATOM 0 HD21 ASN A 53 8.381 -6.258 9.689 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.633 -6.036 9.558 1.00 0.00 H new ATOM 860 N GLU A 54 5.674 0.013 8.331 1.00 0.00 N ATOM 861 CA GLU A 54 4.589 0.812 7.772 1.00 0.00 C ATOM 862 C GLU A 54 5.066 1.605 6.559 1.00 0.00 C ATOM 863 O GLU A 54 6.088 2.290 6.615 1.00 0.00 O ATOM 864 CB GLU A 54 4.029 1.764 8.830 1.00 0.00 C ATOM 865 CG GLU A 54 3.090 1.092 9.817 1.00 0.00 C ATOM 866 CD GLU A 54 2.180 2.080 10.522 1.00 0.00 C ATOM 867 OE1 GLU A 54 1.767 3.068 9.878 1.00 0.00 O ATOM 868 OE2 GLU A 54 1.881 1.866 11.715 1.00 0.00 O ATOM 0 H GLU A 54 6.465 0.557 8.675 1.00 0.00 H new ATOM 0 HA GLU A 54 3.800 0.132 7.452 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.858 2.213 9.378 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.499 2.576 8.332 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.482 0.356 9.291 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.676 0.550 10.559 1.00 0.00 H new ATOM 875 N ALA A 55 4.321 1.507 5.464 1.00 0.00 N ATOM 876 CA ALA A 55 4.666 2.216 4.238 1.00 0.00 C ATOM 877 C ALA A 55 3.414 2.686 3.504 1.00 0.00 C ATOM 878 O ALA A 55 2.352 2.075 3.614 1.00 0.00 O ATOM 879 CB ALA A 55 5.509 1.328 3.334 1.00 0.00 C ATOM 0 H ALA A 55 3.474 0.943 5.400 1.00 0.00 H new ATOM 0 HA ALA A 55 5.248 3.097 4.509 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.759 1.870 2.422 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.426 1.047 3.852 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.946 0.430 3.079 1.00 0.00 H new ATOM 885 N PHE A 56 3.547 3.776 2.755 1.00 0.00 N ATOM 886 CA PHE A 56 2.427 4.328 2.004 1.00 0.00 C ATOM 887 C PHE A 56 2.859 4.727 0.595 1.00 0.00 C ATOM 888 O PHE A 56 3.843 5.445 0.418 1.00 0.00 O ATOM 889 CB PHE A 56 1.846 5.542 2.733 1.00 0.00 C ATOM 890 CG PHE A 56 1.672 5.327 4.210 1.00 0.00 C ATOM 891 CD1 PHE A 56 2.710 5.590 5.088 1.00 0.00 C ATOM 892 CD2 PHE A 56 0.470 4.861 4.719 1.00 0.00 C ATOM 893 CE1 PHE A 56 2.554 5.394 6.447 1.00 0.00 C ATOM 894 CE2 PHE A 56 0.308 4.665 6.078 1.00 0.00 C ATOM 895 CZ PHE A 56 1.352 4.929 6.942 1.00 0.00 C ATOM 0 H PHE A 56 4.420 4.294 2.652 1.00 0.00 H new ATOM 0 HA PHE A 56 1.660 3.557 1.925 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.500 6.399 2.573 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.880 5.792 2.294 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.653 5.953 4.706 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.349 4.649 4.047 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.371 5.604 7.121 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.635 4.306 6.463 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.229 4.772 8.003 1.00 0.00 H new ATOM 905 N ILE A 57 2.117 4.254 -0.400 1.00 0.00 N ATOM 906 CA ILE A 57 2.423 4.561 -1.792 1.00 0.00 C ATOM 907 C ILE A 57 1.322 5.406 -2.423 1.00 0.00 C ATOM 908 O ILE A 57 0.164 4.995 -2.475 1.00 0.00 O ATOM 909 CB ILE A 57 2.610 3.277 -2.623 1.00 0.00 C ATOM 910 CG1 ILE A 57 3.821 2.490 -2.120 1.00 0.00 C ATOM 911 CG2 ILE A 57 2.768 3.619 -4.097 1.00 0.00 C ATOM 912 CD1 ILE A 57 3.821 1.040 -2.551 1.00 0.00 C ATOM 0 H ILE A 57 1.300 3.657 -0.269 1.00 0.00 H new ATOM 0 HA ILE A 57 3.356 5.125 -1.794 1.00 0.00 H new ATOM 0 HB ILE A 57 1.723 2.654 -2.508 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.731 2.968 -2.482 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.848 2.537 -1.031 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.899 2.702 -4.671 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.878 4.142 -4.447 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.640 4.259 -4.231 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.709 0.544 -2.158 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.929 0.546 -2.166 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.826 0.984 -3.640 1.00 0.00 H new ATOM 924 N GLU A 58 1.693 6.589 -2.903 1.00 0.00 N ATOM 925 CA GLU A 58 0.737 7.492 -3.532 1.00 0.00 C ATOM 926 C GLU A 58 0.706 7.285 -5.043 1.00 0.00 C ATOM 927 O GLU A 58 1.749 7.242 -5.696 1.00 0.00 O ATOM 928 CB GLU A 58 1.088 8.947 -3.213 1.00 0.00 C ATOM 929 CG GLU A 58 0.060 9.945 -3.715 1.00 0.00 C ATOM 930 CD GLU A 58 0.666 11.298 -4.034 1.00 0.00 C ATOM 931 OE1 GLU A 58 1.513 11.769 -3.245 1.00 0.00 O ATOM 932 OE2 GLU A 58 0.296 11.885 -5.072 1.00 0.00 O ATOM 0 H GLU A 58 2.649 6.944 -2.868 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.252 7.268 -3.131 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.193 9.058 -2.134 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.057 9.183 -3.654 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.421 9.547 -4.609 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.719 10.068 -2.962 1.00 0.00 H new ATOM 939 N MET A 59 -0.498 7.156 -5.593 1.00 0.00 N ATOM 940 CA MET A 59 -0.664 6.954 -7.028 1.00 0.00 C ATOM 941 C MET A 59 -1.044 8.259 -7.720 1.00 0.00 C ATOM 942 O MET A 59 -1.535 9.190 -7.083 1.00 0.00 O ATOM 943 CB MET A 59 -1.733 5.892 -7.294 1.00 0.00 C ATOM 944 CG MET A 59 -1.438 4.555 -6.635 1.00 0.00 C ATOM 945 SD MET A 59 0.058 3.780 -7.277 1.00 0.00 S ATOM 946 CE MET A 59 -0.536 3.135 -8.838 1.00 0.00 C ATOM 0 H MET A 59 -1.371 7.188 -5.067 1.00 0.00 H new ATOM 0 HA MET A 59 0.288 6.612 -7.435 1.00 0.00 H new ATOM 0 HB2 MET A 59 -2.695 6.259 -6.937 1.00 0.00 H new ATOM 0 HB3 MET A 59 -1.827 5.745 -8.370 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.335 4.699 -5.559 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.284 3.885 -6.787 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.290 2.672 -9.378 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.311 2.391 -8.653 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.949 3.949 -9.434 1.00 0.00 H new ATOM 956 N ALA A 60 -0.812 8.320 -9.027 1.00 0.00 N ATOM 957 CA ALA A 60 -1.131 9.510 -9.806 1.00 0.00 C ATOM 958 C ALA A 60 -2.639 9.684 -9.950 1.00 0.00 C ATOM 959 O ALA A 60 -3.130 10.793 -10.166 1.00 0.00 O ATOM 960 CB ALA A 60 -0.474 9.437 -11.175 1.00 0.00 C ATOM 0 H ALA A 60 -0.404 7.558 -9.569 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.740 10.377 -9.274 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.721 10.332 -11.745 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.607 9.369 -11.056 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.837 8.557 -11.706 1.00 0.00 H new ATOM 966 N THR A 61 -3.372 8.581 -9.828 1.00 0.00 N ATOM 967 CA THR A 61 -4.824 8.611 -9.946 1.00 0.00 C ATOM 968 C THR A 61 -5.476 7.645 -8.963 1.00 0.00 C ATOM 969 O THR A 61 -5.126 6.466 -8.910 1.00 0.00 O ATOM 970 CB THR A 61 -5.279 8.258 -11.374 1.00 0.00 C ATOM 971 OG1 THR A 61 -4.839 6.938 -11.716 1.00 0.00 O ATOM 972 CG2 THR A 61 -4.730 9.258 -12.380 1.00 0.00 C ATOM 0 H THR A 61 -2.983 7.656 -9.647 1.00 0.00 H new ATOM 0 HA THR A 61 -5.139 9.628 -9.714 1.00 0.00 H new ATOM 0 HB THR A 61 -6.368 8.297 -11.405 1.00 0.00 H new ATOM 0 HG1 THR A 61 -3.930 6.798 -11.377 1.00 0.00 H new ATOM 0 HG21 THR A 61 -5.065 8.988 -13.381 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.091 10.257 -12.134 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.641 9.247 -12.346 1.00 0.00 H new ATOM 980 N THR A 62 -6.428 8.152 -8.185 1.00 0.00 N ATOM 981 CA THR A 62 -7.128 7.334 -7.203 1.00 0.00 C ATOM 982 C THR A 62 -7.587 6.015 -7.813 1.00 0.00 C ATOM 983 O THR A 62 -7.681 5.001 -7.122 1.00 0.00 O ATOM 984 CB THR A 62 -8.351 8.072 -6.626 1.00 0.00 C ATOM 985 OG1 THR A 62 -9.216 7.144 -5.963 1.00 0.00 O ATOM 986 CG2 THR A 62 -9.117 8.790 -7.727 1.00 0.00 C ATOM 0 H THR A 62 -6.731 9.125 -8.216 1.00 0.00 H new ATOM 0 HA THR A 62 -6.421 7.133 -6.398 1.00 0.00 H new ATOM 0 HB THR A 62 -7.996 8.812 -5.909 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.880 6.973 -5.058 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.976 9.304 -7.297 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.464 9.517 -8.210 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.460 8.064 -8.464 1.00 0.00 H new ATOM 994 N GLU A 63 -7.869 6.036 -9.113 1.00 0.00 N ATOM 995 CA GLU A 63 -8.319 4.839 -9.815 1.00 0.00 C ATOM 996 C GLU A 63 -7.361 3.675 -9.574 1.00 0.00 C ATOM 997 O GLU A 63 -7.787 2.543 -9.346 1.00 0.00 O ATOM 998 CB GLU A 63 -8.437 5.115 -11.315 1.00 0.00 C ATOM 999 CG GLU A 63 -9.702 5.864 -11.698 1.00 0.00 C ATOM 1000 CD GLU A 63 -10.490 5.159 -12.785 1.00 0.00 C ATOM 1001 OE1 GLU A 63 -10.907 4.004 -12.561 1.00 0.00 O ATOM 1002 OE2 GLU A 63 -10.689 5.763 -13.859 1.00 0.00 O ATOM 0 H GLU A 63 -7.794 6.867 -9.700 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.300 4.567 -9.425 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.571 5.692 -11.639 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.408 4.168 -11.854 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.332 5.981 -10.816 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.438 6.866 -12.037 1.00 0.00 H new ATOM 1009 N ASP A 64 -6.065 3.963 -9.628 1.00 0.00 N ATOM 1010 CA ASP A 64 -5.045 2.941 -9.417 1.00 0.00 C ATOM 1011 C ASP A 64 -5.062 2.449 -7.973 1.00 0.00 C ATOM 1012 O ASP A 64 -5.442 1.311 -7.699 1.00 0.00 O ATOM 1013 CB ASP A 64 -3.662 3.492 -9.766 1.00 0.00 C ATOM 1014 CG ASP A 64 -3.693 4.418 -10.964 1.00 0.00 C ATOM 1015 OD1 ASP A 64 -4.514 4.184 -11.876 1.00 0.00 O ATOM 1016 OD2 ASP A 64 -2.898 5.381 -10.990 1.00 0.00 O ATOM 0 H ASP A 64 -5.696 4.895 -9.816 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.267 2.098 -10.072 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.260 4.028 -8.906 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.984 2.663 -9.969 1.00 0.00 H new ATOM 1021 N ALA A 65 -4.646 3.314 -7.054 1.00 0.00 N ATOM 1022 CA ALA A 65 -4.614 2.967 -5.639 1.00 0.00 C ATOM 1023 C ALA A 65 -5.852 2.171 -5.240 1.00 0.00 C ATOM 1024 O ALA A 65 -5.745 1.097 -4.647 1.00 0.00 O ATOM 1025 CB ALA A 65 -4.496 4.224 -4.789 1.00 0.00 C ATOM 0 H ALA A 65 -4.327 4.260 -7.264 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.739 2.340 -5.465 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.473 3.949 -3.734 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.578 4.752 -5.046 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.352 4.872 -4.977 1.00 0.00 H new ATOM 1031 N GLN A 66 -7.023 2.704 -5.567 1.00 0.00 N ATOM 1032 CA GLN A 66 -8.282 2.044 -5.241 1.00 0.00 C ATOM 1033 C GLN A 66 -8.306 0.620 -5.789 1.00 0.00 C ATOM 1034 O GLN A 66 -8.732 -0.310 -5.106 1.00 0.00 O ATOM 1035 CB GLN A 66 -9.461 2.840 -5.803 1.00 0.00 C ATOM 1036 CG GLN A 66 -9.820 4.062 -4.974 1.00 0.00 C ATOM 1037 CD GLN A 66 -11.230 4.553 -5.238 1.00 0.00 C ATOM 1038 OE1 GLN A 66 -12.136 3.762 -5.500 1.00 0.00 O ATOM 1039 NE2 GLN A 66 -11.423 5.865 -5.171 1.00 0.00 N ATOM 0 H GLN A 66 -7.127 3.592 -6.058 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.370 1.999 -4.155 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -9.223 3.157 -6.818 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.331 2.187 -5.868 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -9.715 3.822 -3.916 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -9.114 4.864 -5.191 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.643 6.485 -4.951 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.351 6.253 -5.340 1.00 0.00 H new ATOM 1048 N ALA A 67 -7.849 0.460 -7.026 1.00 0.00 N ATOM 1049 CA ALA A 67 -7.817 -0.850 -7.665 1.00 0.00 C ATOM 1050 C ALA A 67 -6.835 -1.780 -6.961 1.00 0.00 C ATOM 1051 O ALA A 67 -7.176 -2.910 -6.613 1.00 0.00 O ATOM 1052 CB ALA A 67 -7.454 -0.711 -9.136 1.00 0.00 C ATOM 0 H ALA A 67 -7.496 1.221 -7.606 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.812 -1.289 -7.588 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.434 -1.697 -9.601 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.196 -0.089 -9.637 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.472 -0.247 -9.226 1.00 0.00 H new ATOM 1058 N ALA A 68 -5.613 -1.298 -6.757 1.00 0.00 N ATOM 1059 CA ALA A 68 -4.582 -2.086 -6.093 1.00 0.00 C ATOM 1060 C ALA A 68 -5.129 -2.765 -4.842 1.00 0.00 C ATOM 1061 O ALA A 68 -4.743 -3.887 -4.513 1.00 0.00 O ATOM 1062 CB ALA A 68 -3.391 -1.207 -5.741 1.00 0.00 C ATOM 0 H ALA A 68 -5.313 -0.366 -7.042 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.254 -2.864 -6.782 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.629 -1.808 -5.246 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.977 -0.774 -6.651 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.713 -0.408 -5.073 1.00 0.00 H new ATOM 1068 N VAL A 69 -6.029 -2.077 -4.147 1.00 0.00 N ATOM 1069 CA VAL A 69 -6.631 -2.614 -2.933 1.00 0.00 C ATOM 1070 C VAL A 69 -7.588 -3.757 -3.251 1.00 0.00 C ATOM 1071 O VAL A 69 -7.678 -4.732 -2.506 1.00 0.00 O ATOM 1072 CB VAL A 69 -7.390 -1.525 -2.153 1.00 0.00 C ATOM 1073 CG1 VAL A 69 -8.282 -2.150 -1.091 1.00 0.00 C ATOM 1074 CG2 VAL A 69 -6.414 -0.539 -1.527 1.00 0.00 C ATOM 0 H VAL A 69 -6.357 -1.146 -4.404 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.815 -2.990 -2.316 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.025 -0.980 -2.852 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.810 -1.364 -0.551 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.005 -2.812 -1.567 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.671 -2.722 -0.393 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -6.968 0.224 -0.980 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.752 -1.068 -0.842 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.822 -0.065 -2.311 1.00 0.00 H new ATOM 1084 N ASP A 70 -8.303 -3.629 -4.364 1.00 0.00 N ATOM 1085 CA ASP A 70 -9.255 -4.651 -4.783 1.00 0.00 C ATOM 1086 C ASP A 70 -8.539 -5.962 -5.097 1.00 0.00 C ATOM 1087 O ASP A 70 -9.172 -7.011 -5.220 1.00 0.00 O ATOM 1088 CB ASP A 70 -10.038 -4.177 -6.008 1.00 0.00 C ATOM 1089 CG ASP A 70 -11.505 -4.551 -5.937 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -12.135 -4.287 -4.891 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -12.025 -5.109 -6.927 1.00 0.00 O ATOM 0 H ASP A 70 -8.241 -2.828 -4.992 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.951 -4.824 -3.962 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.946 -3.095 -6.098 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.599 -4.610 -6.907 1.00 0.00 H new ATOM 1096 N TYR A 71 -7.219 -5.894 -5.226 1.00 0.00 N ATOM 1097 CA TYR A 71 -6.419 -7.074 -5.530 1.00 0.00 C ATOM 1098 C TYR A 71 -6.069 -7.837 -4.255 1.00 0.00 C ATOM 1099 O TYR A 71 -5.632 -8.986 -4.307 1.00 0.00 O ATOM 1100 CB TYR A 71 -5.140 -6.673 -6.266 1.00 0.00 C ATOM 1101 CG TYR A 71 -4.267 -7.848 -6.646 1.00 0.00 C ATOM 1102 CD1 TYR A 71 -4.726 -8.826 -7.521 1.00 0.00 C ATOM 1103 CD2 TYR A 71 -2.983 -7.980 -6.132 1.00 0.00 C ATOM 1104 CE1 TYR A 71 -3.932 -9.901 -7.870 1.00 0.00 C ATOM 1105 CE2 TYR A 71 -2.182 -9.051 -6.477 1.00 0.00 C ATOM 1106 CZ TYR A 71 -2.661 -10.010 -7.346 1.00 0.00 C ATOM 1107 OH TYR A 71 -1.867 -11.078 -7.694 1.00 0.00 O ATOM 0 H TYR A 71 -6.680 -5.034 -5.125 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.009 -7.727 -6.172 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.407 -6.123 -7.168 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -4.566 -5.993 -5.636 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.720 -8.744 -7.935 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -2.605 -7.232 -5.451 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -4.305 -10.653 -8.550 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -1.186 -9.137 -6.069 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.002 -11.004 -7.239 1.00 0.00 H new ATOM 1117 N TYR A 72 -6.265 -7.188 -3.113 1.00 0.00 N ATOM 1118 CA TYR A 72 -5.968 -7.802 -1.824 1.00 0.00 C ATOM 1119 C TYR A 72 -7.208 -8.476 -1.244 1.00 0.00 C ATOM 1120 O TYR A 72 -7.107 -9.410 -0.448 1.00 0.00 O ATOM 1121 CB TYR A 72 -5.439 -6.753 -0.846 1.00 0.00 C ATOM 1122 CG TYR A 72 -5.812 -7.025 0.594 1.00 0.00 C ATOM 1123 CD1 TYR A 72 -5.033 -7.856 1.390 1.00 0.00 C ATOM 1124 CD2 TYR A 72 -6.945 -6.452 1.158 1.00 0.00 C ATOM 1125 CE1 TYR A 72 -5.371 -8.107 2.706 1.00 0.00 C ATOM 1126 CE2 TYR A 72 -7.291 -6.696 2.473 1.00 0.00 C ATOM 1127 CZ TYR A 72 -6.501 -7.525 3.242 1.00 0.00 C ATOM 1128 OH TYR A 72 -6.842 -7.772 4.552 1.00 0.00 O ATOM 0 H TYR A 72 -6.628 -6.237 -3.053 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.202 -8.562 -1.979 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.353 -6.706 -0.929 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.823 -5.774 -1.133 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.148 -8.314 0.973 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.566 -5.804 0.558 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.754 -8.755 3.311 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -8.174 -6.241 2.896 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.663 -7.286 4.774 1.00 0.00 H new ATOM 1138 N THR A 73 -8.379 -7.995 -1.649 1.00 0.00 N ATOM 1139 CA THR A 73 -9.640 -8.548 -1.170 1.00 0.00 C ATOM 1140 C THR A 73 -9.981 -9.846 -1.893 1.00 0.00 C ATOM 1141 O THR A 73 -10.505 -10.784 -1.294 1.00 0.00 O ATOM 1142 CB THR A 73 -10.799 -7.550 -1.356 1.00 0.00 C ATOM 1143 OG1 THR A 73 -12.019 -8.122 -0.872 1.00 0.00 O ATOM 1144 CG2 THR A 73 -10.955 -7.169 -2.820 1.00 0.00 C ATOM 0 H THR A 73 -8.481 -7.223 -2.308 1.00 0.00 H new ATOM 0 HA THR A 73 -9.512 -8.750 -0.107 1.00 0.00 H new ATOM 0 HB THR A 73 -10.570 -6.649 -0.786 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.751 -7.481 -0.992 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.779 -6.464 -2.927 1.00 0.00 H new ATOM 0 HG22 THR A 73 -10.034 -6.707 -3.176 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.164 -8.063 -3.408 1.00 0.00 H new ATOM 1152 N THR A 74 -9.679 -9.893 -3.188 1.00 0.00 N ATOM 1153 CA THR A 74 -9.954 -11.075 -3.994 1.00 0.00 C ATOM 1154 C THR A 74 -8.773 -12.040 -3.975 1.00 0.00 C ATOM 1155 O THR A 74 -8.950 -13.254 -3.872 1.00 0.00 O ATOM 1156 CB THR A 74 -10.272 -10.699 -5.452 1.00 0.00 C ATOM 1157 OG1 THR A 74 -9.114 -10.135 -6.077 1.00 0.00 O ATOM 1158 CG2 THR A 74 -11.422 -9.706 -5.517 1.00 0.00 C ATOM 0 H THR A 74 -9.244 -9.125 -3.700 1.00 0.00 H new ATOM 0 HA THR A 74 -10.825 -11.562 -3.555 1.00 0.00 H new ATOM 0 HB THR A 74 -10.565 -11.606 -5.981 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.060 -9.180 -5.865 1.00 0.00 H new ATOM 0 HG21 THR A 74 -11.628 -9.456 -6.558 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.311 -10.149 -5.067 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.152 -8.801 -4.973 1.00 0.00 H new ATOM 1166 N THR A 75 -7.566 -11.493 -4.077 1.00 0.00 N ATOM 1167 CA THR A 75 -6.355 -12.304 -4.072 1.00 0.00 C ATOM 1168 C THR A 75 -5.435 -11.913 -2.922 1.00 0.00 C ATOM 1169 O THR A 75 -5.257 -10.735 -2.610 1.00 0.00 O ATOM 1170 CB THR A 75 -5.585 -12.171 -5.400 1.00 0.00 C ATOM 1171 OG1 THR A 75 -6.387 -12.654 -6.483 1.00 0.00 O ATOM 1172 CG2 THR A 75 -4.276 -12.944 -5.346 1.00 0.00 C ATOM 0 H THR A 75 -7.401 -10.490 -4.164 1.00 0.00 H new ATOM 0 HA THR A 75 -6.669 -13.340 -3.945 1.00 0.00 H new ATOM 0 HB THR A 75 -5.359 -11.117 -5.559 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.891 -12.564 -7.323 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.750 -12.835 -6.294 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.655 -12.553 -4.540 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.483 -13.999 -5.165 1.00 0.00 H new ATOM 1180 N PRO A 76 -4.834 -12.922 -2.275 1.00 0.00 N ATOM 1181 CA PRO A 76 -3.921 -12.708 -1.149 1.00 0.00 C ATOM 1182 C PRO A 76 -2.604 -12.073 -1.584 1.00 0.00 C ATOM 1183 O PRO A 76 -1.884 -12.623 -2.417 1.00 0.00 O ATOM 1184 CB PRO A 76 -3.682 -14.122 -0.612 1.00 0.00 C ATOM 1185 CG PRO A 76 -3.926 -15.016 -1.777 1.00 0.00 C ATOM 1186 CD PRO A 76 -5.001 -14.350 -2.592 1.00 0.00 C ATOM 0 HA PRO A 76 -4.337 -12.022 -0.411 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.666 -14.235 -0.232 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -4.358 -14.352 0.212 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.017 -15.149 -2.364 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.242 -16.007 -1.449 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.875 -14.543 -3.657 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.993 -14.709 -2.318 1.00 0.00 H new ATOM 1194 N ALA A 77 -2.294 -10.914 -1.013 1.00 0.00 N ATOM 1195 CA ALA A 77 -1.062 -10.207 -1.340 1.00 0.00 C ATOM 1196 C ALA A 77 0.100 -10.702 -0.484 1.00 0.00 C ATOM 1197 O ALA A 77 0.281 -10.260 0.651 1.00 0.00 O ATOM 1198 CB ALA A 77 -1.251 -8.709 -1.160 1.00 0.00 C ATOM 0 H ALA A 77 -2.879 -10.445 -0.322 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.822 -10.410 -2.384 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.323 -8.193 -1.407 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.047 -8.361 -1.819 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.519 -8.498 -0.125 1.00 0.00 H new ATOM 1204 N LEU A 78 0.883 -11.623 -1.035 1.00 0.00 N ATOM 1205 CA LEU A 78 2.027 -12.179 -0.322 1.00 0.00 C ATOM 1206 C LEU A 78 3.302 -11.408 -0.653 1.00 0.00 C ATOM 1207 O LEU A 78 3.820 -11.492 -1.767 1.00 0.00 O ATOM 1208 CB LEU A 78 2.205 -13.656 -0.677 1.00 0.00 C ATOM 1209 CG LEU A 78 1.063 -14.587 -0.265 1.00 0.00 C ATOM 1210 CD1 LEU A 78 1.407 -16.032 -0.595 1.00 0.00 C ATOM 1211 CD2 LEU A 78 0.760 -14.435 1.218 1.00 0.00 C ATOM 0 H LEU A 78 0.746 -12.000 -1.973 1.00 0.00 H new ATOM 0 HA LEU A 78 1.836 -12.089 0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.342 -13.736 -1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.124 -14.013 -0.212 1.00 0.00 H new ATOM 0 HG LEU A 78 0.172 -14.309 -0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.583 -16.680 -0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.574 -16.130 -1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.311 -16.322 -0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.055 -15.105 1.493 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.648 -14.686 1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.470 -13.405 1.426 1.00 0.00 H new ATOM 1223 N VAL A 79 3.804 -10.660 0.324 1.00 0.00 N ATOM 1224 CA VAL A 79 5.020 -9.876 0.139 1.00 0.00 C ATOM 1225 C VAL A 79 6.242 -10.628 0.658 1.00 0.00 C ATOM 1226 O VAL A 79 6.302 -11.001 1.830 1.00 0.00 O ATOM 1227 CB VAL A 79 4.926 -8.516 0.853 1.00 0.00 C ATOM 1228 CG1 VAL A 79 6.251 -7.774 0.767 1.00 0.00 C ATOM 1229 CG2 VAL A 79 3.800 -7.682 0.262 1.00 0.00 C ATOM 0 H VAL A 79 3.388 -10.580 1.252 1.00 0.00 H new ATOM 0 HA VAL A 79 5.128 -9.707 -0.932 1.00 0.00 H new ATOM 0 HB VAL A 79 4.704 -8.693 1.905 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.165 -6.815 1.277 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.032 -8.368 1.241 1.00 0.00 H new ATOM 0 HG13 VAL A 79 6.507 -7.606 -0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.747 -6.724 0.778 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.990 -7.513 -0.798 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.854 -8.211 0.381 1.00 0.00 H new ATOM 1239 N PHE A 80 7.214 -10.844 -0.221 1.00 0.00 N ATOM 1240 CA PHE A 80 8.435 -11.551 0.149 1.00 0.00 C ATOM 1241 C PHE A 80 8.140 -13.012 0.475 1.00 0.00 C ATOM 1242 O PHE A 80 9.029 -13.760 0.879 1.00 0.00 O ATOM 1243 CB PHE A 80 9.099 -10.872 1.347 1.00 0.00 C ATOM 1244 CG PHE A 80 10.265 -10.001 0.975 1.00 0.00 C ATOM 1245 CD1 PHE A 80 11.286 -10.492 0.179 1.00 0.00 C ATOM 1246 CD2 PHE A 80 10.337 -8.691 1.419 1.00 0.00 C ATOM 1247 CE1 PHE A 80 12.360 -9.693 -0.166 1.00 0.00 C ATOM 1248 CE2 PHE A 80 11.409 -7.887 1.078 1.00 0.00 C ATOM 1249 CZ PHE A 80 12.420 -8.388 0.284 1.00 0.00 C ATOM 0 H PHE A 80 7.181 -10.540 -1.194 1.00 0.00 H new ATOM 0 HA PHE A 80 9.116 -11.518 -0.701 1.00 0.00 H new ATOM 0 HB2 PHE A 80 8.357 -10.268 1.869 1.00 0.00 H new ATOM 0 HB3 PHE A 80 9.436 -11.637 2.047 1.00 0.00 H new ATOM 0 HD1 PHE A 80 11.243 -11.511 -0.176 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.547 -8.293 2.039 1.00 0.00 H new ATOM 0 HE1 PHE A 80 13.151 -10.088 -0.786 1.00 0.00 H new ATOM 0 HE2 PHE A 80 11.455 -6.868 1.433 1.00 0.00 H new ATOM 0 HZ PHE A 80 13.257 -7.761 0.015 1.00 0.00 H new ATOM 1259 N GLY A 81 6.885 -13.410 0.296 1.00 0.00 N ATOM 1260 CA GLY A 81 6.493 -14.780 0.577 1.00 0.00 C ATOM 1261 C GLY A 81 5.453 -14.872 1.676 1.00 0.00 C ATOM 1262 O GLY A 81 4.764 -15.884 1.804 1.00 0.00 O ATOM 0 H GLY A 81 6.132 -12.809 -0.039 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.098 -15.235 -0.331 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.373 -15.355 0.865 1.00 0.00 H new ATOM 1266 N LYS A 82 5.342 -13.814 2.472 1.00 0.00 N ATOM 1267 CA LYS A 82 4.378 -13.779 3.566 1.00 0.00 C ATOM 1268 C LYS A 82 3.239 -12.814 3.257 1.00 0.00 C ATOM 1269 O LYS A 82 3.403 -11.833 2.530 1.00 0.00 O ATOM 1270 CB LYS A 82 5.070 -13.369 4.868 1.00 0.00 C ATOM 1271 CG LYS A 82 5.938 -12.130 4.732 1.00 0.00 C ATOM 1272 CD LYS A 82 7.407 -12.490 4.603 1.00 0.00 C ATOM 1273 CE LYS A 82 8.295 -11.262 4.731 1.00 0.00 C ATOM 1274 NZ LYS A 82 9.699 -11.625 5.071 1.00 0.00 N ATOM 0 H LYS A 82 5.907 -12.970 2.380 1.00 0.00 H new ATOM 0 HA LYS A 82 3.961 -14.779 3.682 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.313 -13.190 5.631 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.686 -14.197 5.219 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.624 -11.559 3.858 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.795 -11.487 5.601 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.674 -13.215 5.372 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.582 -12.968 3.639 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.281 -10.704 3.794 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.894 -10.603 5.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.329 -10.831 4.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.767 -11.835 6.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.983 -12.463 4.525 1.00 0.00 H new ATOM 1288 N PRO A 83 2.055 -13.093 3.822 1.00 0.00 N ATOM 1289 CA PRO A 83 0.865 -12.260 3.623 1.00 0.00 C ATOM 1290 C PRO A 83 0.985 -10.904 4.312 1.00 0.00 C ATOM 1291 O PRO A 83 1.594 -10.790 5.377 1.00 0.00 O ATOM 1292 CB PRO A 83 -0.256 -13.085 4.257 1.00 0.00 C ATOM 1293 CG PRO A 83 0.427 -13.941 5.266 1.00 0.00 C ATOM 1294 CD PRO A 83 1.786 -14.245 4.700 1.00 0.00 C ATOM 0 HA PRO A 83 0.700 -12.030 2.570 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -1.004 -12.444 4.723 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.774 -13.688 3.511 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.509 -13.426 6.223 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -0.135 -14.858 5.445 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.537 -14.336 5.485 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.790 -15.183 4.145 1.00 0.00 H new ATOM 1302 N VAL A 84 0.401 -9.880 3.699 1.00 0.00 N ATOM 1303 CA VAL A 84 0.440 -8.533 4.256 1.00 0.00 C ATOM 1304 C VAL A 84 -0.942 -7.888 4.234 1.00 0.00 C ATOM 1305 O VAL A 84 -1.922 -8.511 3.824 1.00 0.00 O ATOM 1306 CB VAL A 84 1.425 -7.635 3.484 1.00 0.00 C ATOM 1307 CG1 VAL A 84 2.812 -8.259 3.465 1.00 0.00 C ATOM 1308 CG2 VAL A 84 0.924 -7.388 2.069 1.00 0.00 C ATOM 0 H VAL A 84 -0.105 -9.957 2.817 1.00 0.00 H new ATOM 0 HA VAL A 84 0.777 -8.627 5.288 1.00 0.00 H new ATOM 0 HB VAL A 84 1.491 -6.674 3.994 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.495 -7.611 2.915 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.170 -8.380 4.487 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.766 -9.233 2.979 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.632 -6.752 1.538 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.828 -8.339 1.546 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.048 -6.896 2.108 1.00 0.00 H new ATOM 1318 N ARG A 85 -1.012 -6.638 4.677 1.00 0.00 N ATOM 1319 CA ARG A 85 -2.275 -5.908 4.709 1.00 0.00 C ATOM 1320 C ARG A 85 -2.251 -4.740 3.728 1.00 0.00 C ATOM 1321 O ARG A 85 -1.247 -4.040 3.603 1.00 0.00 O ATOM 1322 CB ARG A 85 -2.556 -5.396 6.122 1.00 0.00 C ATOM 1323 CG ARG A 85 -3.342 -6.376 6.980 1.00 0.00 C ATOM 1324 CD ARG A 85 -3.236 -6.031 8.457 1.00 0.00 C ATOM 1325 NE ARG A 85 -4.319 -5.154 8.893 1.00 0.00 N ATOM 1326 CZ ARG A 85 -5.599 -5.510 8.896 1.00 0.00 C ATOM 1327 NH1 ARG A 85 -5.954 -6.720 8.489 1.00 0.00 N ATOM 1328 NH2 ARG A 85 -6.526 -4.654 9.307 1.00 0.00 N ATOM 0 H ARG A 85 -0.210 -6.109 5.019 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.070 -6.592 4.414 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.609 -5.174 6.614 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.109 -4.459 6.057 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -4.389 -6.368 6.677 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.970 -7.387 6.814 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -3.253 -6.948 9.046 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -2.278 -5.547 8.648 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.079 -4.216 9.213 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -5.244 -7.380 8.173 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -6.937 -6.991 8.492 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -6.256 -3.722 9.621 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -7.508 -4.928 9.309 1.00 0.00 H new ATOM 1342 N VAL A 86 -3.367 -4.535 3.034 1.00 0.00 N ATOM 1343 CA VAL A 86 -3.475 -3.451 2.065 1.00 0.00 C ATOM 1344 C VAL A 86 -4.785 -2.690 2.235 1.00 0.00 C ATOM 1345 O VAL A 86 -5.868 -3.262 2.107 1.00 0.00 O ATOM 1346 CB VAL A 86 -3.385 -3.979 0.620 1.00 0.00 C ATOM 1347 CG1 VAL A 86 -3.536 -2.839 -0.375 1.00 0.00 C ATOM 1348 CG2 VAL A 86 -2.073 -4.716 0.404 1.00 0.00 C ATOM 0 H VAL A 86 -4.208 -5.105 3.125 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.639 -2.776 2.251 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.202 -4.682 0.456 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.470 -3.231 -1.390 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.504 -2.359 -0.234 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.742 -2.109 -0.215 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.026 -5.082 -0.622 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.240 -4.037 0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.011 -5.558 1.093 1.00 0.00 H new ATOM 1358 N HIS A 87 -4.679 -1.397 2.525 1.00 0.00 N ATOM 1359 CA HIS A 87 -5.856 -0.557 2.712 1.00 0.00 C ATOM 1360 C HIS A 87 -5.708 0.761 1.957 1.00 0.00 C ATOM 1361 O HIS A 87 -4.601 1.158 1.590 1.00 0.00 O ATOM 1362 CB HIS A 87 -6.082 -0.284 4.199 1.00 0.00 C ATOM 1363 CG HIS A 87 -6.070 -1.520 5.043 1.00 0.00 C ATOM 1364 ND1 HIS A 87 -6.581 -2.753 4.816 1.00 0.00 N flip ATOM 1365 CD2 HIS A 87 -5.482 -1.575 6.290 1.00 0.00 C flip ATOM 1366 CE1 HIS A 87 -6.293 -3.523 5.916 1.00 0.00 C flip ATOM 1367 NE2 HIS A 87 -5.629 -2.788 6.791 1.00 0.00 N flip ATOM 0 H HIS A 87 -3.790 -0.909 2.635 1.00 0.00 H new ATOM 0 HA HIS A 87 -6.719 -1.089 2.313 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -5.310 0.398 4.556 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -7.038 0.223 4.326 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -7.086 -3.054 3.983 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -4.980 -0.754 6.780 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -6.565 -4.560 6.045 1.00 0.00 H new ATOM 1375 N LEU A 88 -6.830 1.436 1.728 1.00 0.00 N ATOM 1376 CA LEU A 88 -6.826 2.709 1.017 1.00 0.00 C ATOM 1377 C LEU A 88 -7.028 3.873 1.981 1.00 0.00 C ATOM 1378 O LEU A 88 -8.156 4.307 2.216 1.00 0.00 O ATOM 1379 CB LEU A 88 -7.919 2.721 -0.053 1.00 0.00 C ATOM 1380 CG LEU A 88 -7.530 3.322 -1.404 1.00 0.00 C ATOM 1381 CD1 LEU A 88 -7.055 4.756 -1.234 1.00 0.00 C ATOM 1382 CD2 LEU A 88 -6.454 2.479 -2.073 1.00 0.00 C ATOM 0 H LEU A 88 -7.754 1.122 2.025 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.855 2.825 0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.251 1.696 -0.216 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.774 3.275 0.336 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.412 3.326 -2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.783 5.167 -2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.855 5.355 -0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.187 4.776 -0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.190 2.922 -3.033 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.571 2.443 -1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.830 1.468 -2.231 1.00 0.00 H new ATOM 1394 N SER A 89 -5.929 4.374 2.535 1.00 0.00 N ATOM 1395 CA SER A 89 -5.986 5.486 3.475 1.00 0.00 C ATOM 1396 C SER A 89 -6.389 6.776 2.767 1.00 0.00 C ATOM 1397 O SER A 89 -6.251 6.897 1.550 1.00 0.00 O ATOM 1398 CB SER A 89 -4.633 5.671 4.163 1.00 0.00 C ATOM 1399 OG SER A 89 -4.615 5.040 5.432 1.00 0.00 O ATOM 0 H SER A 89 -4.988 4.027 2.349 1.00 0.00 H new ATOM 0 HA SER A 89 -6.739 5.254 4.228 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.843 5.257 3.536 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.423 6.734 4.279 1.00 0.00 H new ATOM 0 HG SER A 89 -3.739 5.172 5.850 1.00 0.00 H new ATOM 1405 N GLN A 90 -6.887 7.737 3.539 1.00 0.00 N ATOM 1406 CA GLN A 90 -7.311 9.017 2.987 1.00 0.00 C ATOM 1407 C GLN A 90 -6.391 10.142 3.450 1.00 0.00 C ATOM 1408 O GLN A 90 -6.687 10.841 4.420 1.00 0.00 O ATOM 1409 CB GLN A 90 -8.754 9.321 3.395 1.00 0.00 C ATOM 1410 CG GLN A 90 -9.720 8.186 3.101 1.00 0.00 C ATOM 1411 CD GLN A 90 -10.757 8.005 4.194 1.00 0.00 C ATOM 1412 OE1 GLN A 90 -10.807 8.776 5.152 1.00 0.00 O ATOM 1413 NE2 GLN A 90 -11.592 6.982 4.054 1.00 0.00 N ATOM 0 H GLN A 90 -7.006 7.653 4.548 1.00 0.00 H new ATOM 0 HA GLN A 90 -7.255 8.951 1.900 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -8.782 9.544 4.462 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -9.089 10.217 2.873 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -10.225 8.379 2.155 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -9.160 7.259 2.980 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -11.515 6.368 3.243 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -12.311 6.811 4.757 1.00 0.00 H new ATOM 1422 N LYS A 91 -5.273 10.312 2.752 1.00 0.00 N ATOM 1423 CA LYS A 91 -4.310 11.352 3.091 1.00 0.00 C ATOM 1424 C LYS A 91 -3.728 11.123 4.482 1.00 0.00 C ATOM 1425 O LYS A 91 -4.384 10.550 5.353 1.00 0.00 O ATOM 1426 CB LYS A 91 -4.971 12.730 3.024 1.00 0.00 C ATOM 1427 CG LYS A 91 -4.520 13.565 1.837 1.00 0.00 C ATOM 1428 CD LYS A 91 -3.038 13.891 1.917 1.00 0.00 C ATOM 1429 CE LYS A 91 -2.799 15.237 2.586 1.00 0.00 C ATOM 1430 NZ LYS A 91 -2.755 16.349 1.595 1.00 0.00 N ATOM 0 H LYS A 91 -5.012 9.742 1.947 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.498 11.310 2.365 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.053 12.603 2.978 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.753 13.273 3.943 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.726 13.026 0.912 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -5.096 14.490 1.802 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.522 13.109 2.475 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.612 13.901 0.914 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.590 15.428 3.311 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.860 15.206 3.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.590 17.249 2.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.984 16.180 0.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.660 16.395 1.085 1.00 0.00 H new ATOM 1444 N TYR A 92 -2.496 11.574 4.684 1.00 0.00 N ATOM 1445 CA TYR A 92 -1.826 11.416 5.971 1.00 0.00 C ATOM 1446 C TYR A 92 -1.072 12.687 6.351 1.00 0.00 C ATOM 1447 O TYR A 92 -1.008 13.059 7.523 1.00 0.00 O ATOM 1448 CB TYR A 92 -0.861 10.231 5.925 1.00 0.00 C ATOM 1449 CG TYR A 92 0.520 10.593 5.426 1.00 0.00 C ATOM 1450 CD1 TYR A 92 0.702 11.153 4.168 1.00 0.00 C ATOM 1451 CD2 TYR A 92 1.643 10.377 6.215 1.00 0.00 C ATOM 1452 CE1 TYR A 92 1.962 11.485 3.710 1.00 0.00 C ATOM 1453 CE2 TYR A 92 2.907 10.707 5.765 1.00 0.00 C ATOM 1454 CZ TYR A 92 3.061 11.260 4.511 1.00 0.00 C ATOM 1455 OH TYR A 92 4.318 11.590 4.058 1.00 0.00 O ATOM 0 H TYR A 92 -1.940 12.052 3.975 1.00 0.00 H new ATOM 0 HA TYR A 92 -2.587 11.226 6.728 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.777 9.803 6.924 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -1.279 9.457 5.281 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -0.156 11.332 3.537 1.00 0.00 H new ATOM 0 HD2 TYR A 92 1.526 9.944 7.197 1.00 0.00 H new ATOM 0 HE1 TYR A 92 2.086 11.919 2.729 1.00 0.00 H new ATOM 0 HE2 TYR A 92 3.769 10.533 6.392 1.00 0.00 H new ATOM 0 HH TYR A 92 4.887 11.831 4.819 1.00 0.00 H new ATOM 1465 N LYS A 93 -0.501 13.349 5.350 1.00 0.00 N ATOM 1466 CA LYS A 93 0.249 14.580 5.577 1.00 0.00 C ATOM 1467 C LYS A 93 1.129 14.909 4.375 1.00 0.00 C ATOM 1468 O LYS A 93 2.232 15.435 4.527 1.00 0.00 O ATOM 1469 CB LYS A 93 1.112 14.452 6.834 1.00 0.00 C ATOM 1470 CG LYS A 93 0.577 15.236 8.020 1.00 0.00 C ATOM 1471 CD LYS A 93 0.600 14.405 9.293 1.00 0.00 C ATOM 1472 CE LYS A 93 -0.614 14.686 10.164 1.00 0.00 C ATOM 1473 NZ LYS A 93 -0.480 14.076 11.516 1.00 0.00 N ATOM 0 H LYS A 93 -0.543 13.054 4.374 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.466 15.391 5.716 1.00 0.00 H new ATOM 0 HB2 LYS A 93 1.186 13.400 7.108 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.122 14.795 6.608 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.174 16.137 8.161 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.443 15.559 7.814 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.628 13.346 9.037 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.509 14.622 9.854 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -0.748 15.763 10.263 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -1.508 14.297 9.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -1.328 14.290 12.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.377 13.045 11.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.359 14.466 11.991 1.00 0.00 H new ATOM 1487 N ARG A 94 0.634 14.598 3.181 1.00 0.00 N ATOM 1488 CA ARG A 94 1.376 14.861 1.955 1.00 0.00 C ATOM 1489 C ARG A 94 2.699 14.102 1.945 1.00 0.00 C ATOM 1490 O ARG A 94 3.549 14.307 2.813 1.00 0.00 O ATOM 1491 CB ARG A 94 1.635 16.361 1.802 1.00 0.00 C ATOM 1492 CG ARG A 94 1.468 16.866 0.378 1.00 0.00 C ATOM 1493 CD ARG A 94 2.743 17.519 -0.135 1.00 0.00 C ATOM 1494 NE ARG A 94 2.463 18.653 -1.011 1.00 0.00 N ATOM 1495 CZ ARG A 94 1.878 18.537 -2.198 1.00 0.00 C ATOM 1496 NH1 ARG A 94 1.513 17.345 -2.648 1.00 0.00 N ATOM 1497 NH2 ARG A 94 1.656 19.616 -2.938 1.00 0.00 N ATOM 0 H ARG A 94 -0.278 14.164 3.037 1.00 0.00 H new ATOM 0 HA ARG A 94 0.773 14.515 1.115 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.954 16.907 2.454 1.00 0.00 H new ATOM 0 HB3 ARG A 94 2.647 16.583 2.141 1.00 0.00 H new ATOM 0 HG2 ARG A 94 1.195 16.036 -0.274 1.00 0.00 H new ATOM 0 HG3 ARG A 94 0.649 17.584 0.339 1.00 0.00 H new ATOM 0 HD2 ARG A 94 3.344 17.854 0.710 1.00 0.00 H new ATOM 0 HD3 ARG A 94 3.336 16.781 -0.676 1.00 0.00 H new ATOM 0 HE ARG A 94 2.731 19.585 -0.694 1.00 0.00 H new ATOM 0 HH11 ARG A 94 1.681 16.513 -2.082 1.00 0.00 H new ATOM 0 HH12 ARG A 94 1.064 17.260 -3.560 1.00 0.00 H new ATOM 0 HH21 ARG A 94 1.935 20.535 -2.595 1.00 0.00 H new ATOM 0 HH22 ARG A 94 1.207 19.526 -3.849 1.00 0.00 H new ATOM 1511 N ILE A 95 2.865 13.226 0.960 1.00 0.00 N ATOM 1512 CA ILE A 95 4.086 12.436 0.839 1.00 0.00 C ATOM 1513 C ILE A 95 5.170 13.211 0.098 1.00 0.00 C ATOM 1514 O ILE A 95 4.939 13.735 -0.992 1.00 0.00 O ATOM 1515 CB ILE A 95 3.826 11.108 0.104 1.00 0.00 C ATOM 1516 CG1 ILE A 95 2.780 10.281 0.854 1.00 0.00 C ATOM 1517 CG2 ILE A 95 5.121 10.324 -0.047 1.00 0.00 C ATOM 1518 CD1 ILE A 95 2.534 8.920 0.242 1.00 0.00 C ATOM 0 H ILE A 95 2.171 13.045 0.235 1.00 0.00 H new ATOM 0 HA ILE A 95 4.425 12.220 1.852 1.00 0.00 H new ATOM 0 HB ILE A 95 3.441 11.330 -0.891 1.00 0.00 H new ATOM 0 HG12 ILE A 95 3.103 10.153 1.887 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.841 10.834 0.879 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.921 9.388 -0.568 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.838 10.912 -0.620 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.533 10.109 0.939 1.00 0.00 H new ATOM 0 HD11 ILE A 95 1.781 8.389 0.825 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.181 9.040 -0.782 1.00 0.00 H new ATOM 0 HD13 ILE A 95 3.462 8.348 0.241 1.00 0.00 H new ATOM 1530 N LYS A 96 6.354 13.279 0.696 1.00 0.00 N ATOM 1531 CA LYS A 96 7.478 13.987 0.092 1.00 0.00 C ATOM 1532 C LYS A 96 8.716 13.898 0.977 1.00 0.00 C ATOM 1533 O LYS A 96 8.672 14.246 2.158 1.00 0.00 O ATOM 1534 CB LYS A 96 7.113 15.453 -0.148 1.00 0.00 C ATOM 1535 CG LYS A 96 7.824 16.069 -1.339 1.00 0.00 C ATOM 1536 CD LYS A 96 6.839 16.683 -2.321 1.00 0.00 C ATOM 1537 CE LYS A 96 7.518 17.692 -3.234 1.00 0.00 C ATOM 1538 NZ LYS A 96 7.540 19.055 -2.636 1.00 0.00 N ATOM 0 H LYS A 96 6.561 12.852 1.599 1.00 0.00 H new ATOM 0 HA LYS A 96 7.703 13.514 -0.864 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.036 15.531 -0.298 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.353 16.029 0.746 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.519 16.834 -0.993 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.416 15.306 -1.845 1.00 0.00 H new ATOM 0 HD2 LYS A 96 6.384 15.896 -2.922 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.033 17.171 -1.773 1.00 0.00 H new ATOM 0 HE2 LYS A 96 8.539 17.368 -3.437 1.00 0.00 H new ATOM 0 HE3 LYS A 96 6.997 17.724 -4.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.011 19.713 -3.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.565 19.375 -2.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.059 19.031 -1.735 1.00 0.00 H new ATOM 1552 N SER A 97 9.818 13.431 0.400 1.00 0.00 N ATOM 1553 CA SER A 97 11.069 13.295 1.139 1.00 0.00 C ATOM 1554 C SER A 97 11.708 14.658 1.380 1.00 0.00 C ATOM 1555 O SER A 97 12.302 15.248 0.476 1.00 0.00 O ATOM 1556 CB SER A 97 12.040 12.391 0.378 1.00 0.00 C ATOM 1557 OG SER A 97 12.086 11.096 0.951 1.00 0.00 O ATOM 0 H SER A 97 9.871 13.140 -0.576 1.00 0.00 H new ATOM 0 HA SER A 97 10.844 12.843 2.105 1.00 0.00 H new ATOM 0 HB2 SER A 97 11.734 12.320 -0.666 1.00 0.00 H new ATOM 0 HB3 SER A 97 13.037 12.832 0.388 1.00 0.00 H new ATOM 0 HG SER A 97 12.712 10.537 0.446 1.00 0.00 H new ATOM 1563 N GLY A 98 11.584 15.156 2.607 1.00 0.00 N ATOM 1564 CA GLY A 98 12.154 16.447 2.946 1.00 0.00 C ATOM 1565 C GLY A 98 11.820 16.874 4.361 1.00 0.00 C ATOM 1566 O GLY A 98 10.744 16.584 4.882 1.00 0.00 O ATOM 0 H GLY A 98 11.099 14.688 3.372 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.237 16.405 2.828 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.786 17.198 2.247 1.00 0.00 H new ATOM 1570 N PRO A 99 12.760 17.581 5.007 1.00 0.00 N ATOM 1571 CA PRO A 99 12.583 18.063 6.380 1.00 0.00 C ATOM 1572 C PRO A 99 11.543 19.174 6.476 1.00 0.00 C ATOM 1573 O PRO A 99 11.309 19.903 5.510 1.00 0.00 O ATOM 1574 CB PRO A 99 13.970 18.595 6.750 1.00 0.00 C ATOM 1575 CG PRO A 99 14.599 18.952 5.448 1.00 0.00 C ATOM 1576 CD PRO A 99 14.066 17.964 4.447 1.00 0.00 C ATOM 0 HA PRO A 99 12.221 17.278 7.044 1.00 0.00 H new ATOM 0 HB2 PRO A 99 13.899 19.462 7.406 1.00 0.00 H new ATOM 0 HB3 PRO A 99 14.555 17.842 7.279 1.00 0.00 H new ATOM 0 HG2 PRO A 99 14.348 19.973 5.160 1.00 0.00 H new ATOM 0 HG3 PRO A 99 15.686 18.896 5.511 1.00 0.00 H new ATOM 0 HD2 PRO A 99 13.964 18.410 3.458 1.00 0.00 H new ATOM 0 HD3 PRO A 99 14.726 17.103 4.342 1.00 0.00 H new ATOM 1584 N SER A 100 10.922 19.299 7.644 1.00 0.00 N ATOM 1585 CA SER A 100 9.905 20.320 7.863 1.00 0.00 C ATOM 1586 C SER A 100 10.515 21.571 8.489 1.00 0.00 C ATOM 1587 O SER A 100 11.549 21.503 9.154 1.00 0.00 O ATOM 1588 CB SER A 100 8.793 19.777 8.763 1.00 0.00 C ATOM 1589 OG SER A 100 7.668 19.377 7.998 1.00 0.00 O ATOM 0 H SER A 100 11.105 18.706 8.453 1.00 0.00 H new ATOM 0 HA SER A 100 9.482 20.589 6.895 1.00 0.00 H new ATOM 0 HB2 SER A 100 9.167 18.929 9.337 1.00 0.00 H new ATOM 0 HB3 SER A 100 8.496 20.542 9.481 1.00 0.00 H new ATOM 0 HG SER A 100 6.972 19.032 8.596 1.00 0.00 H new ATOM 1595 N SER A 101 9.867 22.710 8.272 1.00 0.00 N ATOM 1596 CA SER A 101 10.347 23.977 8.810 1.00 0.00 C ATOM 1597 C SER A 101 9.181 24.864 9.237 1.00 0.00 C ATOM 1598 O SER A 101 8.071 24.737 8.722 1.00 0.00 O ATOM 1599 CB SER A 101 11.203 24.706 7.773 1.00 0.00 C ATOM 1600 OG SER A 101 12.096 25.614 8.394 1.00 0.00 O ATOM 0 H SER A 101 9.008 22.782 7.727 1.00 0.00 H new ATOM 0 HA SER A 101 10.957 23.761 9.687 1.00 0.00 H new ATOM 0 HB2 SER A 101 11.767 23.980 7.188 1.00 0.00 H new ATOM 0 HB3 SER A 101 10.558 25.244 7.078 1.00 0.00 H new ATOM 0 HG SER A 101 12.632 26.065 7.709 1.00 0.00 H new ATOM 1606 N GLY A 102 9.442 25.760 10.183 1.00 0.00 N ATOM 1607 CA GLY A 102 8.405 26.655 10.664 1.00 0.00 C ATOM 1608 C GLY A 102 8.815 27.394 11.921 1.00 0.00 C ATOM 1609 O GLY A 102 8.046 28.190 12.461 1.00 0.00 O ATOM 0 H GLY A 102 10.353 25.883 10.625 1.00 0.00 H new ATOM 0 HA2 GLY A 102 8.162 27.377 9.884 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.499 26.083 10.862 1.00 0.00 H new TER 1613 GLY A 102