USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 0 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 39 GLN : amide:sc= -6.02! C(o=-6!,f=-7.9!) USER MOD Set 1.2: A 95 TYR OH : rot 60:sc= 0.0393 USER MOD Set 2.1: A 49 SER OG : rot -48:sc= 0.35 USER MOD Set 2.2: A 83 MET CE :methyl 145:sc= -24.7! (180deg=-25.1!) USER MOD Set 3.1: A 71 SER OG : rot 131:sc= 1.2 USER MOD Set 3.2: A 82 GLN : amide:sc= -2.55! C(o=-1.4!,f=-2.3!) USER MOD Set 4.1: A 30 SER OG : rot 111:sc= 0.091 USER MOD Set 4.2: A 74 ASN : amide:sc= -0.217 K(o=-0.13,f=-2.3!) USER MOD Set 5.1: A 25 SER OG : rot 180:sc=-0.00594 USER MOD Set 5.2: A 77 ASN : amide:sc= -1.34! C(o=-1.3!,f=-6.8!) USER MOD Set 6.1: A 7 SER OG : rot 180:sc= -1.48! USER MOD Set 6.2: A 21 SER OG : rot 150:sc= -4.81! USER MOD Set 6.3: A 78 THR OG1 : rot -90:sc= -0.47 USER MOD Single : A 1 GLU N :NH3+ 169:sc= -0.0248 (180deg=-0.151) USER MOD Single : A 3 GLN : amide:sc= -0.146 K(o=-0.15,f=-5.5!) USER MOD Single : A 13 GLN : amide:sc= -2.78! C(o=-2.8!,f=-12!) USER MOD Single : A 17 SER OG : rot 180:sc= -0.0555 USER MOD Single : A 28 THR OG1 : rot -32:sc= -1.82! USER MOD Single : A 31 SER OG : rot -101:sc= 1.21 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 161:sc= -11.1! (180deg=-12.7!) USER MOD Single : A 35 SER OG : rot -123:sc= -9.08! USER MOD Single : A 43 LYS NZ :NH3+ -123:sc= 0.126 (180deg=0) USER MOD Single : A 52 SER OG : rot -179:sc= -3.25! USER MOD Single : A 54 SER OG : rot 180:sc=-0.00292 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0326 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.952! C(o=-0.95!,f=-4.9!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= -1.42! USER MOD Single : A 94 TYR OH : rot -15:sc= -2.42! USER MOD Single : A 100 LYS NZ :NH3+ -129:sc= -2.52! (180deg=-6.54!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 30:sc= -1.76! USER MOD Single : A 109 GLN : amide:sc= -0.334 K(o=-0.33,f=-1.9!) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.159 USER MOD Single : A 114 THR OG1 : rot 62:sc= 0.0352 USER MOD Single : A 116 SER OG : rot 74:sc= 0.0461 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -13.757 13.211 -12.852 1.00 0.00 N ATOM 2 CA GLU A 1 -13.143 12.777 -14.139 1.00 0.00 C ATOM 3 C GLU A 1 -12.010 11.788 -13.860 1.00 0.00 C ATOM 4 O GLU A 1 -11.028 11.740 -14.573 1.00 0.00 O ATOM 5 CB GLU A 1 -12.585 13.997 -14.875 1.00 0.00 C ATOM 6 CG GLU A 1 -12.672 13.767 -16.385 1.00 0.00 C ATOM 7 CD GLU A 1 -12.407 15.085 -17.117 1.00 0.00 C ATOM 8 OE1 GLU A 1 -13.351 15.831 -17.315 1.00 0.00 O ATOM 9 OE2 GLU A 1 -11.263 15.323 -17.467 1.00 0.00 O ATOM 0 H1 GLU A 1 -14.394 14.015 -13.025 1.00 0.00 H new ATOM 0 H2 GLU A 1 -14.298 12.423 -12.442 1.00 0.00 H new ATOM 0 H3 GLU A 1 -13.008 13.499 -12.190 1.00 0.00 H new ATOM 0 HA GLU A 1 -13.901 12.294 -14.756 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -13.147 14.889 -14.600 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -11.549 14.169 -14.582 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -11.945 13.015 -16.692 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -13.657 13.383 -16.649 1.00 0.00 H new ATOM 10 N VAL A 2 -12.136 10.997 -12.829 1.00 0.00 N ATOM 11 CA VAL A 2 -11.061 10.013 -12.516 1.00 0.00 C ATOM 12 C VAL A 2 -11.646 8.596 -12.537 1.00 0.00 C ATOM 13 O VAL A 2 -12.700 8.336 -11.991 1.00 0.00 O ATOM 14 CB VAL A 2 -10.458 10.333 -11.141 1.00 0.00 C ATOM 15 CG1 VAL A 2 -9.292 9.384 -10.848 1.00 0.00 C ATOM 16 CG2 VAL A 2 -9.938 11.773 -11.142 1.00 0.00 C ATOM 0 H VAL A 2 -12.933 10.989 -12.193 1.00 0.00 H new ATOM 0 HA VAL A 2 -10.271 10.075 -13.264 1.00 0.00 H new ATOM 0 HB VAL A 2 -11.226 10.211 -10.377 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.870 9.618 -9.871 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -9.651 8.355 -10.852 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.525 9.503 -11.613 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -9.509 12.005 -10.167 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.173 11.883 -11.911 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.761 12.457 -11.348 1.00 0.00 H new ATOM 17 N GLN A 3 -10.961 7.681 -13.170 1.00 0.00 N ATOM 18 CA GLN A 3 -11.454 6.273 -13.246 1.00 0.00 C ATOM 19 C GLN A 3 -10.373 5.365 -12.683 1.00 0.00 C ATOM 20 O GLN A 3 -9.224 5.747 -12.630 1.00 0.00 O ATOM 21 CB GLN A 3 -11.726 5.903 -14.706 1.00 0.00 C ATOM 22 CG GLN A 3 -13.233 5.913 -14.964 1.00 0.00 C ATOM 23 CD GLN A 3 -13.643 7.268 -15.542 1.00 0.00 C ATOM 24 OE1 GLN A 3 -13.217 8.300 -15.063 1.00 0.00 O ATOM 25 NE2 GLN A 3 -14.460 7.309 -16.560 1.00 0.00 N ATOM 0 H GLN A 3 -10.073 7.850 -13.642 1.00 0.00 H new ATOM 0 HA GLN A 3 -12.377 6.162 -12.677 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -11.228 6.610 -15.370 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -11.316 4.917 -14.925 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -13.499 5.115 -15.657 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -13.773 5.723 -14.036 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -14.818 6.443 -16.962 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -14.740 8.208 -16.953 1.00 0.00 H new ATOM 26 N LEU A 4 -10.708 4.182 -12.236 1.00 0.00 N ATOM 27 CA LEU A 4 -9.644 3.314 -11.652 1.00 0.00 C ATOM 28 C LEU A 4 -10.246 2.075 -10.976 1.00 0.00 C ATOM 29 O LEU A 4 -11.429 2.013 -10.708 1.00 0.00 O ATOM 30 CB LEU A 4 -8.880 4.125 -10.603 1.00 0.00 C ATOM 31 CG LEU A 4 -9.812 5.159 -9.954 1.00 0.00 C ATOM 32 CD1 LEU A 4 -9.871 4.921 -8.449 1.00 0.00 C ATOM 33 CD2 LEU A 4 -9.305 6.581 -10.238 1.00 0.00 C ATOM 0 H LEU A 4 -11.648 3.787 -12.249 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.983 2.982 -12.453 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.476 3.459 -9.841 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.033 4.629 -11.068 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.811 5.052 -10.376 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.533 5.656 -7.990 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.251 3.918 -8.254 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.871 5.019 -8.026 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.974 7.305 -9.773 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.302 6.698 -9.828 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.279 6.750 -11.315 1.00 0.00 H new ATOM 34 N VAL A 5 -9.425 1.086 -10.687 1.00 0.00 N ATOM 35 CA VAL A 5 -9.940 -0.152 -10.012 1.00 0.00 C ATOM 36 C VAL A 5 -8.779 -1.081 -9.605 1.00 0.00 C ATOM 37 O VAL A 5 -8.958 -2.278 -9.496 1.00 0.00 O ATOM 38 CB VAL A 5 -10.887 -0.938 -10.938 1.00 0.00 C ATOM 39 CG1 VAL A 5 -12.243 -1.101 -10.253 1.00 0.00 C ATOM 40 CG2 VAL A 5 -11.088 -0.210 -12.273 1.00 0.00 C ATOM 0 H VAL A 5 -8.425 1.084 -10.889 1.00 0.00 H new ATOM 0 HA VAL A 5 -10.483 0.173 -9.124 1.00 0.00 H new ATOM 0 HB VAL A 5 -10.439 -1.912 -11.137 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -12.916 -1.657 -10.906 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -12.115 -1.644 -9.317 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -12.667 -0.118 -10.047 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -11.761 -0.789 -12.905 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -11.519 0.774 -12.089 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.127 -0.097 -12.774 1.00 0.00 H new ATOM 41 N GLU A 6 -7.600 -0.557 -9.369 1.00 0.00 N ATOM 42 CA GLU A 6 -6.458 -1.451 -8.961 1.00 0.00 C ATOM 43 C GLU A 6 -6.313 -2.576 -9.998 1.00 0.00 C ATOM 44 O GLU A 6 -7.138 -2.710 -10.880 1.00 0.00 O ATOM 45 CB GLU A 6 -6.749 -2.073 -7.587 1.00 0.00 C ATOM 46 CG GLU A 6 -7.926 -1.352 -6.917 1.00 0.00 C ATOM 47 CD GLU A 6 -7.804 -1.474 -5.399 1.00 0.00 C ATOM 48 OE1 GLU A 6 -7.422 -2.537 -4.939 1.00 0.00 O ATOM 49 OE2 GLU A 6 -8.095 -0.501 -4.721 1.00 0.00 O ATOM 0 H GLU A 6 -7.376 0.436 -9.438 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.540 -0.866 -8.906 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -6.979 -3.132 -7.701 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.864 -2.005 -6.954 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.935 -0.302 -7.208 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -8.869 -1.784 -7.252 1.00 0.00 H new ATOM 50 N SER A 7 -5.288 -3.401 -9.913 1.00 0.00 N ATOM 51 CA SER A 7 -5.163 -4.499 -10.918 1.00 0.00 C ATOM 52 C SER A 7 -3.767 -5.126 -10.858 1.00 0.00 C ATOM 53 O SER A 7 -2.884 -4.646 -10.173 1.00 0.00 O ATOM 54 CB SER A 7 -5.398 -3.933 -12.320 1.00 0.00 C ATOM 55 OG SER A 7 -5.118 -2.540 -12.315 1.00 0.00 O ATOM 0 H SER A 7 -4.553 -3.360 -9.207 1.00 0.00 H new ATOM 0 HA SER A 7 -5.905 -5.265 -10.693 1.00 0.00 H new ATOM 0 HB2 SER A 7 -4.759 -4.442 -13.042 1.00 0.00 H new ATOM 0 HB3 SER A 7 -6.429 -4.108 -12.627 1.00 0.00 H new ATOM 0 HG SER A 7 -5.266 -2.173 -13.212 1.00 0.00 H new ATOM 56 N GLY A 8 -3.567 -6.201 -11.577 1.00 0.00 N ATOM 57 CA GLY A 8 -2.237 -6.871 -11.579 1.00 0.00 C ATOM 58 C GLY A 8 -2.404 -8.343 -11.197 1.00 0.00 C ATOM 59 O GLY A 8 -2.866 -9.150 -11.979 1.00 0.00 O ATOM 0 H GLY A 8 -4.273 -6.644 -12.165 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -1.779 -6.790 -12.565 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.568 -6.376 -10.875 1.00 0.00 H new ATOM 60 N GLY A 9 -2.039 -8.695 -9.997 1.00 0.00 N ATOM 61 CA GLY A 9 -2.182 -10.112 -9.552 1.00 0.00 C ATOM 62 C GLY A 9 -0.966 -10.936 -10.000 1.00 0.00 C ATOM 63 O GLY A 9 -1.021 -11.664 -10.971 1.00 0.00 O ATOM 0 H GLY A 9 -1.646 -8.061 -9.301 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.277 -10.152 -8.467 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -3.094 -10.541 -9.968 1.00 0.00 H new ATOM 64 N GLY A 10 0.124 -10.833 -9.291 1.00 0.00 N ATOM 65 CA GLY A 10 1.344 -11.616 -9.660 1.00 0.00 C ATOM 66 C GLY A 10 1.829 -12.378 -8.419 1.00 0.00 C ATOM 67 O GLY A 10 1.425 -12.076 -7.318 1.00 0.00 O ATOM 0 H GLY A 10 0.226 -10.239 -8.468 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.117 -12.312 -10.467 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.126 -10.950 -10.024 1.00 0.00 H new ATOM 68 N LEU A 11 2.697 -13.354 -8.566 1.00 0.00 N ATOM 69 CA LEU A 11 3.187 -14.083 -7.352 1.00 0.00 C ATOM 70 C LEU A 11 4.480 -13.430 -6.873 1.00 0.00 C ATOM 71 O LEU A 11 5.183 -12.794 -7.635 1.00 0.00 O ATOM 72 CB LEU A 11 3.457 -15.556 -7.644 1.00 0.00 C ATOM 73 CG LEU A 11 2.393 -16.114 -8.592 1.00 0.00 C ATOM 74 CD1 LEU A 11 3.066 -16.967 -9.668 1.00 0.00 C ATOM 75 CD2 LEU A 11 1.414 -16.982 -7.799 1.00 0.00 C ATOM 0 H LEU A 11 3.080 -13.672 -9.456 1.00 0.00 H new ATOM 0 HA LEU A 11 2.412 -14.026 -6.588 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.446 -15.670 -8.089 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.458 -16.124 -6.714 1.00 0.00 H new ATOM 0 HG LEU A 11 1.856 -15.290 -9.062 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.309 -17.365 -10.343 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.769 -16.354 -10.232 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.601 -17.792 -9.197 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.655 -17.381 -8.471 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.954 -17.806 -7.332 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.935 -16.379 -7.028 1.00 0.00 H new ATOM 76 N VAL A 12 4.793 -13.560 -5.619 1.00 0.00 N ATOM 77 CA VAL A 12 6.028 -12.910 -5.099 1.00 0.00 C ATOM 78 C VAL A 12 6.842 -13.881 -4.247 1.00 0.00 C ATOM 79 O VAL A 12 7.143 -13.605 -3.104 1.00 0.00 O ATOM 80 CB VAL A 12 5.677 -11.675 -4.243 1.00 0.00 C ATOM 81 CG1 VAL A 12 6.116 -10.410 -4.977 1.00 0.00 C ATOM 82 CG2 VAL A 12 4.165 -11.589 -3.967 1.00 0.00 C ATOM 0 H VAL A 12 4.252 -14.085 -4.932 1.00 0.00 H new ATOM 0 HA VAL A 12 6.619 -12.603 -5.962 1.00 0.00 H new ATOM 0 HB VAL A 12 6.197 -11.768 -3.290 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.869 -9.536 -4.375 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.192 -10.442 -5.146 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.600 -10.348 -5.935 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.955 -10.707 -3.362 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.626 -11.517 -4.912 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.841 -12.482 -3.432 1.00 0.00 H new ATOM 83 N GLN A 13 7.231 -14.996 -4.796 1.00 0.00 N ATOM 84 CA GLN A 13 8.066 -15.952 -4.011 1.00 0.00 C ATOM 85 C GLN A 13 9.165 -15.139 -3.307 1.00 0.00 C ATOM 86 O GLN A 13 9.353 -13.982 -3.631 1.00 0.00 O ATOM 87 CB GLN A 13 8.684 -16.971 -4.980 1.00 0.00 C ATOM 88 CG GLN A 13 9.822 -16.313 -5.772 1.00 0.00 C ATOM 89 CD GLN A 13 11.146 -16.995 -5.423 1.00 0.00 C ATOM 90 OE1 GLN A 13 11.415 -17.270 -4.270 1.00 0.00 O ATOM 91 NE2 GLN A 13 11.991 -17.281 -6.376 1.00 0.00 N ATOM 0 H GLN A 13 7.010 -15.288 -5.748 1.00 0.00 H new ATOM 0 HA GLN A 13 7.474 -16.489 -3.269 1.00 0.00 H new ATOM 0 HB2 GLN A 13 9.064 -17.829 -4.426 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.922 -17.345 -5.664 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.629 -16.394 -6.842 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.875 -15.250 -5.538 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.766 -17.050 -7.344 1.00 0.00 H new ATOM 0 HE22 GLN A 13 12.877 -17.735 -6.153 1.00 0.00 H new ATOM 92 N PRO A 14 9.864 -15.732 -2.372 1.00 0.00 N ATOM 93 CA PRO A 14 10.929 -15.016 -1.651 1.00 0.00 C ATOM 94 C PRO A 14 12.072 -14.682 -2.604 1.00 0.00 C ATOM 95 O PRO A 14 12.683 -15.550 -3.197 1.00 0.00 O ATOM 96 CB PRO A 14 11.339 -15.984 -0.537 1.00 0.00 C ATOM 97 CG PRO A 14 10.867 -17.384 -0.991 1.00 0.00 C ATOM 98 CD PRO A 14 9.698 -17.145 -1.966 1.00 0.00 C ATOM 0 HA PRO A 14 10.616 -14.057 -1.238 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.418 -15.967 -0.384 1.00 0.00 H new ATOM 0 HB3 PRO A 14 10.878 -15.706 0.411 1.00 0.00 H new ATOM 0 HG2 PRO A 14 11.676 -17.929 -1.478 1.00 0.00 H new ATOM 0 HG3 PRO A 14 10.547 -17.983 -0.138 1.00 0.00 H new ATOM 0 HD2 PRO A 14 9.748 -17.816 -2.823 1.00 0.00 H new ATOM 0 HD3 PRO A 14 8.734 -17.313 -1.485 1.00 0.00 H new ATOM 99 N GLY A 15 12.334 -13.415 -2.784 1.00 0.00 N ATOM 100 CA GLY A 15 13.401 -13.001 -3.732 1.00 0.00 C ATOM 101 C GLY A 15 12.805 -13.030 -5.137 1.00 0.00 C ATOM 102 O GLY A 15 13.488 -13.265 -6.114 1.00 0.00 O ATOM 0 H GLY A 15 11.852 -12.649 -2.313 1.00 0.00 H new ATOM 0 HA2 GLY A 15 13.762 -12.002 -3.490 1.00 0.00 H new ATOM 0 HA3 GLY A 15 14.256 -13.674 -3.664 1.00 0.00 H new ATOM 103 N GLY A 16 11.517 -12.815 -5.236 1.00 0.00 N ATOM 104 CA GLY A 16 10.849 -12.854 -6.567 1.00 0.00 C ATOM 105 C GLY A 16 10.505 -11.438 -7.036 1.00 0.00 C ATOM 106 O GLY A 16 11.374 -10.660 -7.379 1.00 0.00 O ATOM 0 H GLY A 16 10.900 -12.614 -4.449 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.502 -13.336 -7.294 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.941 -13.454 -6.507 1.00 0.00 H new ATOM 107 N SER A 17 9.238 -11.104 -7.065 1.00 0.00 N ATOM 108 CA SER A 17 8.820 -9.748 -7.526 1.00 0.00 C ATOM 109 C SER A 17 7.354 -9.802 -7.941 1.00 0.00 C ATOM 110 O SER A 17 6.842 -10.846 -8.292 1.00 0.00 O ATOM 111 CB SER A 17 9.672 -9.322 -8.724 1.00 0.00 C ATOM 112 OG SER A 17 8.953 -8.370 -9.497 1.00 0.00 O ATOM 0 H SER A 17 8.472 -11.718 -6.787 1.00 0.00 H new ATOM 0 HA SER A 17 8.955 -9.028 -6.719 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.613 -8.893 -8.381 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.921 -10.190 -9.335 1.00 0.00 H new ATOM 0 HG SER A 17 9.497 -8.094 -10.264 1.00 0.00 H new ATOM 113 N LEU A 18 6.664 -8.698 -7.892 1.00 0.00 N ATOM 114 CA LEU A 18 5.228 -8.728 -8.275 1.00 0.00 C ATOM 115 C LEU A 18 4.939 -7.745 -9.391 1.00 0.00 C ATOM 116 O LEU A 18 5.678 -6.814 -9.640 1.00 0.00 O ATOM 117 CB LEU A 18 4.363 -8.341 -7.077 1.00 0.00 C ATOM 118 CG LEU A 18 3.256 -9.373 -6.841 1.00 0.00 C ATOM 119 CD1 LEU A 18 2.070 -9.078 -7.757 1.00 0.00 C ATOM 120 CD2 LEU A 18 3.773 -10.777 -7.115 1.00 0.00 C ATOM 0 H LEU A 18 7.027 -7.788 -7.607 1.00 0.00 H new ATOM 0 HA LEU A 18 4.999 -9.740 -8.610 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.985 -8.260 -6.186 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.920 -7.360 -7.246 1.00 0.00 H new ATOM 0 HG LEU A 18 2.937 -9.310 -5.801 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.285 -9.815 -7.585 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.685 -8.081 -7.543 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.392 -9.127 -8.797 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.975 -11.499 -6.943 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.108 -10.846 -8.150 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.608 -10.994 -6.449 1.00 0.00 H new ATOM 121 N ARG A 19 3.834 -7.951 -10.043 1.00 0.00 N ATOM 122 CA ARG A 19 3.423 -7.051 -11.137 1.00 0.00 C ATOM 123 C ARG A 19 1.995 -6.587 -10.857 1.00 0.00 C ATOM 124 O ARG A 19 1.051 -7.022 -11.488 1.00 0.00 O ATOM 125 CB ARG A 19 3.472 -7.811 -12.454 1.00 0.00 C ATOM 126 CG ARG A 19 3.061 -6.880 -13.597 1.00 0.00 C ATOM 127 CD ARG A 19 1.977 -7.553 -14.441 1.00 0.00 C ATOM 128 NE ARG A 19 2.593 -8.609 -15.289 1.00 0.00 N ATOM 129 CZ ARG A 19 1.849 -9.303 -16.108 1.00 0.00 C ATOM 130 NH1 ARG A 19 1.620 -8.861 -17.314 1.00 0.00 N ATOM 131 NH2 ARG A 19 1.336 -10.438 -15.719 1.00 0.00 N ATOM 0 H ARG A 19 3.190 -8.720 -9.857 1.00 0.00 H new ATOM 0 HA ARG A 19 4.089 -6.191 -11.200 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.477 -8.195 -12.627 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.805 -8.672 -12.414 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.691 -5.937 -13.196 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.926 -6.645 -14.217 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.216 -7.989 -13.794 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.478 -6.814 -15.067 1.00 0.00 H new ATOM 0 HE ARG A 19 3.595 -8.791 -15.231 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.022 -7.974 -17.617 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.039 -9.403 -17.954 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.516 -10.783 -14.776 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.755 -10.981 -16.358 1.00 0.00 H new ATOM 132 N LEU A 20 1.833 -5.721 -9.899 1.00 0.00 N ATOM 133 CA LEU A 20 0.469 -5.237 -9.549 1.00 0.00 C ATOM 134 C LEU A 20 0.130 -4.036 -10.428 1.00 0.00 C ATOM 135 O LEU A 20 0.694 -3.866 -11.490 1.00 0.00 O ATOM 136 CB LEU A 20 0.409 -4.843 -8.066 1.00 0.00 C ATOM 137 CG LEU A 20 1.521 -5.533 -7.262 1.00 0.00 C ATOM 138 CD1 LEU A 20 2.453 -4.478 -6.656 1.00 0.00 C ATOM 139 CD2 LEU A 20 0.888 -6.351 -6.142 1.00 0.00 C ATOM 0 H LEU A 20 2.589 -5.325 -9.340 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.256 -6.032 -9.720 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.505 -3.761 -7.970 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.563 -5.114 -7.654 1.00 0.00 H new ATOM 0 HG LEU A 20 2.097 -6.184 -7.919 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.240 -4.972 -6.087 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.900 -3.886 -7.454 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.883 -3.825 -5.995 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.670 -6.845 -5.565 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.317 -5.692 -5.488 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.224 -7.102 -6.570 1.00 0.00 H new ATOM 140 N SER A 21 -0.787 -3.204 -10.018 1.00 0.00 N ATOM 141 CA SER A 21 -1.131 -2.044 -10.877 1.00 0.00 C ATOM 142 C SER A 21 -2.341 -1.282 -10.326 1.00 0.00 C ATOM 143 O SER A 21 -3.226 -1.846 -9.718 1.00 0.00 O ATOM 144 CB SER A 21 -1.471 -2.562 -12.272 1.00 0.00 C ATOM 145 OG SER A 21 -1.940 -3.900 -12.175 1.00 0.00 O ATOM 0 H SER A 21 -1.303 -3.276 -9.141 1.00 0.00 H new ATOM 0 HA SER A 21 -0.280 -1.364 -10.904 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.231 -1.930 -12.732 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.591 -2.519 -12.913 1.00 0.00 H new ATOM 0 HG SER A 21 -2.578 -4.076 -12.898 1.00 0.00 H new ATOM 146 N CYS A 22 -2.390 0.000 -10.577 1.00 0.00 N ATOM 147 CA CYS A 22 -3.543 0.826 -10.125 1.00 0.00 C ATOM 148 C CYS A 22 -4.394 1.117 -11.358 1.00 0.00 C ATOM 149 O CYS A 22 -4.032 1.918 -12.196 1.00 0.00 O ATOM 150 CB CYS A 22 -3.024 2.151 -9.537 1.00 0.00 C ATOM 151 SG CYS A 22 -3.954 2.659 -8.062 1.00 0.00 S ATOM 0 H CYS A 22 -1.669 0.514 -11.083 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.123 0.307 -9.362 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -1.970 2.044 -9.281 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -3.091 2.933 -10.293 1.00 0.00 H new ATOM 152 N ALA A 23 -5.505 0.457 -11.502 1.00 0.00 N ATOM 153 CA ALA A 23 -6.343 0.700 -12.705 1.00 0.00 C ATOM 154 C ALA A 23 -6.752 2.167 -12.751 1.00 0.00 C ATOM 155 O ALA A 23 -7.030 2.773 -11.741 1.00 0.00 O ATOM 156 CB ALA A 23 -7.595 -0.162 -12.651 1.00 0.00 C ATOM 0 H ALA A 23 -5.867 -0.234 -10.846 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.767 0.446 -13.595 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.203 0.023 -13.537 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.311 -1.214 -12.619 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.169 0.086 -11.759 1.00 0.00 H new ATOM 157 N ALA A 24 -6.799 2.741 -13.916 1.00 0.00 N ATOM 158 CA ALA A 24 -7.196 4.163 -14.016 1.00 0.00 C ATOM 159 C ALA A 24 -7.428 4.561 -15.481 1.00 0.00 C ATOM 160 O ALA A 24 -6.782 4.072 -16.403 1.00 0.00 O ATOM 161 CB ALA A 24 -6.104 5.028 -13.398 1.00 0.00 C ATOM 0 H ALA A 24 -6.579 2.285 -14.802 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.131 4.314 -13.477 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.389 6.078 -13.467 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.973 4.756 -12.351 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.168 4.870 -13.933 1.00 0.00 H new ATOM 162 N SER A 25 -8.369 5.445 -15.689 1.00 0.00 N ATOM 163 CA SER A 25 -8.702 5.898 -17.066 1.00 0.00 C ATOM 164 C SER A 25 -8.932 7.411 -17.069 1.00 0.00 C ATOM 165 O SER A 25 -8.904 8.051 -16.037 1.00 0.00 O ATOM 166 CB SER A 25 -9.981 5.196 -17.507 1.00 0.00 C ATOM 167 OG SER A 25 -9.761 4.549 -18.754 1.00 0.00 O ATOM 0 H SER A 25 -8.926 5.876 -14.951 1.00 0.00 H new ATOM 0 HA SER A 25 -7.883 5.659 -17.745 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.286 4.467 -16.756 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.792 5.918 -17.598 1.00 0.00 H new ATOM 0 HG SER A 25 -10.583 4.096 -19.037 1.00 0.00 H new ATOM 168 N GLY A 26 -9.169 7.984 -18.220 1.00 0.00 N ATOM 169 CA GLY A 26 -9.410 9.455 -18.294 1.00 0.00 C ATOM 170 C GLY A 26 -8.288 10.201 -17.572 1.00 0.00 C ATOM 171 O GLY A 26 -7.296 10.580 -18.164 1.00 0.00 O ATOM 0 H GLY A 26 -9.206 7.495 -19.114 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.459 9.773 -19.336 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.371 9.698 -17.841 1.00 0.00 H new ATOM 172 N PHE A 27 -8.438 10.413 -16.294 1.00 0.00 N ATOM 173 CA PHE A 27 -7.385 11.131 -15.520 1.00 0.00 C ATOM 174 C PHE A 27 -6.017 10.484 -15.782 1.00 0.00 C ATOM 175 O PHE A 27 -4.994 11.071 -15.510 1.00 0.00 O ATOM 176 CB PHE A 27 -7.744 11.069 -14.014 1.00 0.00 C ATOM 177 CG PHE A 27 -6.785 10.171 -13.248 1.00 0.00 C ATOM 178 CD1 PHE A 27 -5.461 10.583 -13.051 1.00 0.00 C ATOM 179 CD2 PHE A 27 -7.211 8.929 -12.743 1.00 0.00 C ATOM 180 CE1 PHE A 27 -4.568 9.770 -12.364 1.00 0.00 C ATOM 181 CE2 PHE A 27 -6.311 8.116 -12.048 1.00 0.00 C ATOM 182 CZ PHE A 27 -4.991 8.534 -11.859 1.00 0.00 C ATOM 0 H PHE A 27 -9.248 10.119 -15.749 1.00 0.00 H new ATOM 0 HA PHE A 27 -7.333 12.174 -15.832 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.719 12.073 -13.592 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -8.763 10.699 -13.897 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.133 11.537 -13.435 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.230 8.605 -12.892 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.547 10.091 -12.219 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.636 7.163 -11.657 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.297 7.904 -11.323 1.00 0.00 H new ATOM 183 N THR A 28 -6.007 9.271 -16.267 1.00 0.00 N ATOM 184 CA THR A 28 -4.723 8.549 -16.515 1.00 0.00 C ATOM 185 C THR A 28 -4.092 8.196 -15.166 1.00 0.00 C ATOM 186 O THR A 28 -4.733 7.593 -14.327 1.00 0.00 O ATOM 187 CB THR A 28 -3.760 9.379 -17.386 1.00 0.00 C ATOM 188 OG1 THR A 28 -3.199 10.449 -16.641 1.00 0.00 O ATOM 189 CG2 THR A 28 -4.519 9.940 -18.588 1.00 0.00 C ATOM 0 H THR A 28 -6.846 8.742 -16.505 1.00 0.00 H new ATOM 0 HA THR A 28 -4.928 7.635 -17.072 1.00 0.00 H new ATOM 0 HB THR A 28 -2.952 8.731 -17.724 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.850 10.764 -15.979 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.840 10.528 -19.205 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.926 9.118 -19.177 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.334 10.575 -18.240 1.00 0.00 H new ATOM 190 N PHE A 29 -2.848 8.515 -14.940 1.00 0.00 N ATOM 191 CA PHE A 29 -2.228 8.128 -13.640 1.00 0.00 C ATOM 192 C PHE A 29 -1.063 9.056 -13.328 1.00 0.00 C ATOM 193 O PHE A 29 -0.880 9.500 -12.212 1.00 0.00 O ATOM 194 CB PHE A 29 -1.700 6.704 -13.754 1.00 0.00 C ATOM 195 CG PHE A 29 -2.426 6.007 -14.874 1.00 0.00 C ATOM 196 CD1 PHE A 29 -2.101 6.304 -16.207 1.00 0.00 C ATOM 197 CD2 PHE A 29 -3.453 5.103 -14.592 1.00 0.00 C ATOM 198 CE1 PHE A 29 -2.801 5.690 -17.242 1.00 0.00 C ATOM 199 CE2 PHE A 29 -4.143 4.497 -15.625 1.00 0.00 C ATOM 200 CZ PHE A 29 -3.820 4.791 -16.945 1.00 0.00 C ATOM 0 H PHE A 29 -2.241 9.019 -15.587 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.973 8.198 -12.847 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.627 6.713 -13.947 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.850 6.169 -12.816 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.311 7.006 -16.429 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.708 4.878 -13.567 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.554 5.911 -18.270 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.934 3.795 -15.407 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.366 4.317 -17.747 1.00 0.00 H new ATOM 201 N SER A 30 -0.272 9.344 -14.317 1.00 0.00 N ATOM 202 CA SER A 30 0.895 10.239 -14.113 1.00 0.00 C ATOM 203 C SER A 30 0.479 11.661 -14.464 1.00 0.00 C ATOM 204 O SER A 30 0.942 12.618 -13.878 1.00 0.00 O ATOM 205 CB SER A 30 2.042 9.799 -15.022 1.00 0.00 C ATOM 206 OG SER A 30 1.553 8.859 -15.971 1.00 0.00 O ATOM 0 H SER A 30 -0.385 8.994 -15.268 1.00 0.00 H new ATOM 0 HA SER A 30 1.227 10.192 -13.076 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.468 10.662 -15.534 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.841 9.353 -14.429 1.00 0.00 H new ATOM 0 HG SER A 30 1.551 9.265 -16.863 1.00 0.00 H new ATOM 207 N SER A 31 -0.407 11.804 -15.413 1.00 0.00 N ATOM 208 CA SER A 31 -0.862 13.168 -15.788 1.00 0.00 C ATOM 209 C SER A 31 -1.160 13.944 -14.508 1.00 0.00 C ATOM 210 O SER A 31 -0.807 15.098 -14.373 1.00 0.00 O ATOM 211 CB SER A 31 -2.128 13.079 -16.639 1.00 0.00 C ATOM 212 OG SER A 31 -2.622 14.390 -16.883 1.00 0.00 O ATOM 0 H SER A 31 -0.831 11.040 -15.939 1.00 0.00 H new ATOM 0 HA SER A 31 -0.087 13.673 -16.365 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.912 12.578 -17.582 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.883 12.483 -16.127 1.00 0.00 H new ATOM 0 HG SER A 31 -3.375 14.573 -16.283 1.00 0.00 H new ATOM 213 N TYR A 32 -1.805 13.315 -13.561 1.00 0.00 N ATOM 214 CA TYR A 32 -2.117 14.022 -12.290 1.00 0.00 C ATOM 215 C TYR A 32 -1.353 13.359 -11.140 1.00 0.00 C ATOM 216 O TYR A 32 -0.367 13.885 -10.663 1.00 0.00 O ATOM 217 CB TYR A 32 -3.623 13.958 -12.041 1.00 0.00 C ATOM 218 CG TYR A 32 -4.341 14.297 -13.325 1.00 0.00 C ATOM 219 CD1 TYR A 32 -4.324 13.390 -14.390 1.00 0.00 C ATOM 220 CD2 TYR A 32 -5.012 15.518 -13.456 1.00 0.00 C ATOM 221 CE1 TYR A 32 -4.978 13.702 -15.587 1.00 0.00 C ATOM 222 CE2 TYR A 32 -5.669 15.830 -14.653 1.00 0.00 C ATOM 223 CZ TYR A 32 -5.652 14.922 -15.717 1.00 0.00 C ATOM 224 OH TYR A 32 -6.299 15.231 -16.897 1.00 0.00 O ATOM 0 H TYR A 32 -2.126 12.348 -13.614 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.812 15.067 -12.355 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -3.908 12.962 -11.700 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.906 14.657 -11.254 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.806 12.448 -14.288 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -5.023 16.219 -12.635 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.963 13.002 -16.410 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.189 16.771 -14.754 1.00 0.00 H new ATOM 0 HH TYR A 32 -6.717 16.114 -16.819 1.00 0.00 H new ATOM 225 N ALA A 33 -1.790 12.210 -10.697 1.00 0.00 N ATOM 226 CA ALA A 33 -1.077 11.516 -9.582 1.00 0.00 C ATOM 227 C ALA A 33 -2.006 10.481 -8.946 1.00 0.00 C ATOM 228 O ALA A 33 -3.199 10.480 -9.178 1.00 0.00 O ATOM 229 CB ALA A 33 -0.659 12.538 -8.523 1.00 0.00 C ATOM 0 H ALA A 33 -2.609 11.721 -11.058 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.191 11.019 -9.977 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.139 12.029 -7.711 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.005 13.277 -8.972 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.544 13.038 -8.130 1.00 0.00 H new ATOM 230 N MET A 34 -1.473 9.602 -8.137 1.00 0.00 N ATOM 231 CA MET A 34 -2.328 8.579 -7.485 1.00 0.00 C ATOM 232 C MET A 34 -1.459 7.706 -6.593 1.00 0.00 C ATOM 233 O MET A 34 -0.383 7.297 -6.967 1.00 0.00 O ATOM 234 CB MET A 34 -3.022 7.694 -8.534 1.00 0.00 C ATOM 235 CG MET A 34 -2.135 7.521 -9.775 1.00 0.00 C ATOM 236 SD MET A 34 -0.794 6.348 -9.433 1.00 0.00 S ATOM 237 CE MET A 34 -1.803 4.925 -8.931 1.00 0.00 C ATOM 0 H MET A 34 -0.481 9.553 -7.903 1.00 0.00 H new ATOM 0 HA MET A 34 -3.094 9.085 -6.897 1.00 0.00 H new ATOM 0 HB2 MET A 34 -3.246 6.718 -8.103 1.00 0.00 H new ATOM 0 HB3 MET A 34 -3.974 8.141 -8.821 1.00 0.00 H new ATOM 0 HG2 MET A 34 -2.735 7.164 -10.612 1.00 0.00 H new ATOM 0 HG3 MET A 34 -1.718 8.484 -10.070 1.00 0.00 H new ATOM 0 HE1 MET A 34 -1.209 4.014 -9.003 1.00 0.00 H new ATOM 0 HE2 MET A 34 -2.137 5.060 -7.902 1.00 0.00 H new ATOM 0 HE3 MET A 34 -2.671 4.845 -9.586 1.00 0.00 H new ATOM 238 N SER A 35 -1.920 7.388 -5.427 1.00 0.00 N ATOM 239 CA SER A 35 -1.119 6.509 -4.553 1.00 0.00 C ATOM 240 C SER A 35 -1.841 5.197 -4.516 1.00 0.00 C ATOM 241 O SER A 35 -2.956 5.117 -4.992 1.00 0.00 O ATOM 242 CB SER A 35 -1.027 7.082 -3.151 1.00 0.00 C ATOM 243 OG SER A 35 -0.182 8.223 -3.163 1.00 0.00 O ATOM 0 H SER A 35 -2.813 7.697 -5.043 1.00 0.00 H new ATOM 0 HA SER A 35 -0.101 6.406 -4.929 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.019 7.354 -2.792 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.634 6.332 -2.465 1.00 0.00 H new ATOM 0 HG SER A 35 0.551 8.094 -2.526 1.00 0.00 H new ATOM 244 N TRP A 36 -1.270 4.141 -4.016 1.00 0.00 N ATOM 245 CA TRP A 36 -2.075 2.914 -4.082 1.00 0.00 C ATOM 246 C TRP A 36 -1.447 1.708 -3.365 1.00 0.00 C ATOM 247 O TRP A 36 -0.226 1.518 -3.348 1.00 0.00 O ATOM 248 CB TRP A 36 -2.333 2.661 -5.567 1.00 0.00 C ATOM 249 CG TRP A 36 -1.367 1.714 -6.152 1.00 0.00 C ATOM 250 CD1 TRP A 36 -0.175 2.050 -6.698 1.00 0.00 C ATOM 251 CD2 TRP A 36 -1.507 0.281 -6.295 1.00 0.00 C ATOM 252 NE1 TRP A 36 0.409 0.916 -7.187 1.00 0.00 N ATOM 253 CE2 TRP A 36 -0.369 -0.211 -6.958 1.00 0.00 C ATOM 254 CE3 TRP A 36 -2.507 -0.629 -5.917 1.00 0.00 C ATOM 255 CZ2 TRP A 36 -0.229 -1.570 -7.243 1.00 0.00 C ATOM 256 CZ3 TRP A 36 -2.369 -1.987 -6.191 1.00 0.00 C ATOM 257 CH2 TRP A 36 -1.237 -2.461 -6.852 1.00 0.00 C ATOM 0 H TRP A 36 -0.344 4.078 -3.593 1.00 0.00 H new ATOM 0 HA TRP A 36 -3.009 3.050 -3.536 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.343 2.272 -5.696 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.284 3.606 -6.108 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.243 3.045 -6.740 1.00 0.00 H new ATOM 0 HE1 TRP A 36 1.310 0.899 -7.664 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.391 -0.272 -5.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 0.648 -1.931 -7.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.143 -2.677 -5.890 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.137 -3.515 -7.063 1.00 0.00 H new ATOM 258 N VAL A 37 -2.347 0.922 -2.766 1.00 0.00 N ATOM 259 CA VAL A 37 -2.012 -0.318 -1.984 1.00 0.00 C ATOM 260 C VAL A 37 -2.508 -0.126 -0.535 1.00 0.00 C ATOM 261 O VAL A 37 -3.035 0.903 -0.260 1.00 0.00 O ATOM 262 CB VAL A 37 -0.511 -0.575 -2.019 1.00 0.00 C ATOM 263 CG1 VAL A 37 -0.166 -1.660 -1.025 1.00 0.00 C ATOM 264 CG2 VAL A 37 -0.115 -1.021 -3.425 1.00 0.00 C ATOM 0 H VAL A 37 -3.348 1.114 -2.799 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.503 -1.186 -2.424 1.00 0.00 H new ATOM 0 HB VAL A 37 0.028 0.336 -1.759 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.908 -1.846 -1.048 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.458 -1.343 -0.024 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.698 -2.575 -1.285 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.958 -1.207 -3.459 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.650 -1.935 -3.681 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.370 -0.239 -4.140 1.00 0.00 H new ATOM 265 N ARG A 38 -2.370 -1.116 0.367 1.00 0.00 N ATOM 266 CA ARG A 38 -2.818 -0.986 1.804 1.00 0.00 C ATOM 267 C ARG A 38 -3.729 -2.145 2.246 1.00 0.00 C ATOM 268 O ARG A 38 -4.923 -1.976 2.386 1.00 0.00 O ATOM 269 CB ARG A 38 -3.530 0.340 2.105 1.00 0.00 C ATOM 270 CG ARG A 38 -2.523 1.315 2.720 1.00 0.00 C ATOM 271 CD ARG A 38 -1.775 2.061 1.614 1.00 0.00 C ATOM 272 NE ARG A 38 -0.871 3.076 2.224 1.00 0.00 N ATOM 273 CZ ARG A 38 -0.901 4.311 1.805 1.00 0.00 C ATOM 274 NH1 ARG A 38 -1.108 4.567 0.544 1.00 0.00 N ATOM 275 NH2 ARG A 38 -0.722 5.290 2.649 1.00 0.00 N ATOM 0 H ARG A 38 -1.955 -2.021 0.146 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.890 -1.016 2.376 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.950 0.759 1.190 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.361 0.174 2.790 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.040 2.026 3.364 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.815 0.773 3.347 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.198 1.359 1.013 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.484 2.546 0.944 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.229 2.805 2.969 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.247 3.802 -0.116 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.131 5.533 0.217 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.559 5.089 3.636 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.745 6.256 2.322 1.00 0.00 H new ATOM 276 N GLN A 39 -3.161 -3.297 2.535 1.00 0.00 N ATOM 277 CA GLN A 39 -3.965 -4.455 3.040 1.00 0.00 C ATOM 278 C GLN A 39 -3.061 -5.692 3.111 1.00 0.00 C ATOM 279 O GLN A 39 -1.936 -5.669 2.652 1.00 0.00 O ATOM 280 CB GLN A 39 -5.159 -4.724 2.127 1.00 0.00 C ATOM 281 CG GLN A 39 -6.280 -5.387 2.933 1.00 0.00 C ATOM 282 CD GLN A 39 -7.434 -4.401 3.119 1.00 0.00 C ATOM 283 OE1 GLN A 39 -8.523 -4.624 2.630 1.00 0.00 O ATOM 284 NE2 GLN A 39 -7.242 -3.311 3.811 1.00 0.00 N ATOM 0 H GLN A 39 -2.163 -3.483 2.440 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.350 -4.221 4.033 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.514 -3.790 1.690 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.860 -5.369 1.301 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.632 -6.281 2.418 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.902 -5.707 3.904 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.328 -3.122 4.222 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.006 -2.648 3.940 1.00 0.00 H new ATOM 285 N ALA A 40 -3.529 -6.761 3.698 1.00 0.00 N ATOM 286 CA ALA A 40 -2.692 -7.986 3.812 1.00 0.00 C ATOM 287 C ALA A 40 -3.422 -9.001 4.704 1.00 0.00 C ATOM 288 O ALA A 40 -4.458 -8.695 5.260 1.00 0.00 O ATOM 289 CB ALA A 40 -1.355 -7.608 4.453 1.00 0.00 C ATOM 0 H ALA A 40 -4.461 -6.837 4.105 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.517 -8.422 2.828 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.730 -8.497 4.543 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.849 -6.870 3.830 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.532 -7.187 5.443 1.00 0.00 H new ATOM 290 N PRO A 41 -2.850 -10.172 4.835 1.00 0.00 N ATOM 291 CA PRO A 41 -3.416 -11.245 5.682 1.00 0.00 C ATOM 292 C PRO A 41 -3.277 -10.823 7.152 1.00 0.00 C ATOM 293 O PRO A 41 -3.784 -9.790 7.543 1.00 0.00 O ATOM 294 CB PRO A 41 -2.554 -12.469 5.316 1.00 0.00 C ATOM 295 CG PRO A 41 -1.241 -11.915 4.727 1.00 0.00 C ATOM 296 CD PRO A 41 -1.583 -10.531 4.163 1.00 0.00 C ATOM 0 HA PRO A 41 -4.475 -11.456 5.531 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.357 -13.082 6.195 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.067 -13.103 4.593 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.469 -11.844 5.493 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.856 -12.571 3.946 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.798 -9.807 4.380 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.700 -10.560 3.080 1.00 0.00 H new ATOM 297 N GLY A 42 -2.559 -11.553 7.964 1.00 0.00 N ATOM 298 CA GLY A 42 -2.372 -11.101 9.369 1.00 0.00 C ATOM 299 C GLY A 42 -1.287 -10.021 9.355 1.00 0.00 C ATOM 300 O GLY A 42 -0.870 -9.517 10.379 1.00 0.00 O ATOM 0 H GLY A 42 -2.101 -12.430 7.718 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.304 -10.705 9.773 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.077 -11.935 10.006 1.00 0.00 H new ATOM 301 N LYS A 43 -0.826 -9.675 8.176 1.00 0.00 N ATOM 302 CA LYS A 43 0.233 -8.652 8.019 1.00 0.00 C ATOM 303 C LYS A 43 -0.376 -7.246 8.038 1.00 0.00 C ATOM 304 O LYS A 43 0.240 -6.294 7.606 1.00 0.00 O ATOM 305 CB LYS A 43 0.904 -8.897 6.665 1.00 0.00 C ATOM 306 CG LYS A 43 2.192 -8.076 6.566 1.00 0.00 C ATOM 307 CD LYS A 43 3.391 -8.954 6.929 1.00 0.00 C ATOM 308 CE LYS A 43 3.733 -8.759 8.406 1.00 0.00 C ATOM 309 NZ LYS A 43 4.359 -10.001 8.940 1.00 0.00 N ATOM 0 H LYS A 43 -1.155 -10.076 7.298 1.00 0.00 H new ATOM 0 HA LYS A 43 0.952 -8.723 8.835 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.128 -9.957 6.547 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.225 -8.623 5.858 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.308 -7.684 5.556 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.141 -7.218 7.237 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.162 -10.001 6.732 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.248 -8.693 6.308 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.414 -7.916 8.524 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.831 -8.522 8.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.810 -10.345 9.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.372 -10.730 8.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.333 -9.797 9.242 1.00 0.00 H new ATOM 310 N GLU A 44 -1.576 -7.115 8.532 1.00 0.00 N ATOM 311 CA GLU A 44 -2.236 -5.774 8.576 1.00 0.00 C ATOM 312 C GLU A 44 -2.060 -5.066 7.233 1.00 0.00 C ATOM 313 O GLU A 44 -1.509 -5.610 6.297 1.00 0.00 O ATOM 314 CB GLU A 44 -1.632 -4.930 9.707 1.00 0.00 C ATOM 315 CG GLU A 44 -0.213 -4.479 9.342 1.00 0.00 C ATOM 316 CD GLU A 44 0.115 -3.181 10.084 1.00 0.00 C ATOM 317 OE1 GLU A 44 -0.794 -2.609 10.665 1.00 0.00 O ATOM 318 OE2 GLU A 44 1.266 -2.781 10.059 1.00 0.00 O ATOM 0 H GLU A 44 -2.133 -7.882 8.910 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.301 -5.904 8.768 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.260 -4.059 9.894 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.609 -5.510 10.629 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.506 -5.254 9.607 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.134 -4.325 8.266 1.00 0.00 H new ATOM 319 N ARG A 45 -2.538 -3.861 7.124 1.00 0.00 N ATOM 320 CA ARG A 45 -2.402 -3.130 5.830 1.00 0.00 C ATOM 321 C ARG A 45 -0.946 -3.104 5.402 1.00 0.00 C ATOM 322 O ARG A 45 -0.074 -3.606 6.083 1.00 0.00 O ATOM 323 CB ARG A 45 -2.853 -1.683 5.975 1.00 0.00 C ATOM 324 CG ARG A 45 -4.264 -1.516 5.414 1.00 0.00 C ATOM 325 CD ARG A 45 -4.875 -0.218 5.940 1.00 0.00 C ATOM 326 NE ARG A 45 -6.272 -0.090 5.437 1.00 0.00 N ATOM 327 CZ ARG A 45 -7.082 0.781 5.973 1.00 0.00 C ATOM 328 NH1 ARG A 45 -6.613 1.901 6.453 1.00 0.00 N ATOM 329 NH2 ARG A 45 -8.361 0.531 6.029 1.00 0.00 N ATOM 0 H ARG A 45 -3.014 -3.350 7.867 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.020 -3.646 5.095 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.833 -1.391 7.025 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -2.163 -1.024 5.448 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -4.233 -1.500 4.325 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.884 -2.365 5.703 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -4.867 -0.215 7.030 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.280 0.635 5.615 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.595 -0.684 4.673 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.613 2.095 6.409 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.247 2.581 6.872 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.726 -0.344 5.654 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.996 1.211 6.448 1.00 0.00 H new ATOM 330 N GLU A 46 -0.680 -2.502 4.280 1.00 0.00 N ATOM 331 CA GLU A 46 0.714 -2.417 3.799 1.00 0.00 C ATOM 332 C GLU A 46 0.715 -1.813 2.401 1.00 0.00 C ATOM 333 O GLU A 46 0.125 -2.355 1.484 1.00 0.00 O ATOM 334 CB GLU A 46 1.315 -3.817 3.770 1.00 0.00 C ATOM 335 CG GLU A 46 2.649 -3.794 3.018 1.00 0.00 C ATOM 336 CD GLU A 46 3.783 -4.165 3.974 1.00 0.00 C ATOM 337 OE1 GLU A 46 3.840 -5.315 4.377 1.00 0.00 O ATOM 338 OE2 GLU A 46 4.578 -3.293 4.286 1.00 0.00 O ATOM 0 H GLU A 46 -1.375 -2.064 3.675 1.00 0.00 H new ATOM 0 HA GLU A 46 1.309 -1.789 4.462 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.467 -4.179 4.787 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.626 -4.508 3.285 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.620 -4.494 2.183 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.824 -2.804 2.597 1.00 0.00 H new ATOM 339 N ILE A 47 1.362 -0.686 2.241 1.00 0.00 N ATOM 340 CA ILE A 47 1.408 -0.026 0.910 1.00 0.00 C ATOM 341 C ILE A 47 2.409 -0.747 0.017 1.00 0.00 C ATOM 342 O ILE A 47 3.150 -1.603 0.455 1.00 0.00 O ATOM 343 CB ILE A 47 1.875 1.429 1.049 1.00 0.00 C ATOM 344 CG1 ILE A 47 1.323 2.226 -0.151 1.00 0.00 C ATOM 345 CG2 ILE A 47 3.411 1.484 1.076 1.00 0.00 C ATOM 346 CD1 ILE A 47 2.437 2.551 -1.181 1.00 0.00 C ATOM 0 H ILE A 47 1.862 -0.195 2.983 1.00 0.00 H new ATOM 0 HA ILE A 47 0.407 -0.059 0.480 1.00 0.00 H new ATOM 0 HB ILE A 47 1.507 1.862 1.979 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.533 1.653 -0.637 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.872 3.153 0.203 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.736 2.520 1.175 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.781 0.905 1.922 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.806 1.066 0.150 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.011 3.113 -2.012 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.214 3.146 -0.701 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.869 1.623 -1.554 1.00 0.00 H new ATOM 347 N VAL A 48 2.477 -0.351 -1.215 1.00 0.00 N ATOM 348 CA VAL A 48 3.480 -0.935 -2.118 1.00 0.00 C ATOM 349 C VAL A 48 4.054 0.198 -2.971 1.00 0.00 C ATOM 350 O VAL A 48 5.231 0.218 -3.258 1.00 0.00 O ATOM 351 CB VAL A 48 2.879 -2.026 -2.985 1.00 0.00 C ATOM 352 CG1 VAL A 48 3.954 -2.574 -3.892 1.00 0.00 C ATOM 353 CG2 VAL A 48 2.379 -3.162 -2.108 1.00 0.00 C ATOM 0 H VAL A 48 1.874 0.357 -1.634 1.00 0.00 H new ATOM 0 HA VAL A 48 4.273 -1.407 -1.538 1.00 0.00 H new ATOM 0 HB VAL A 48 2.054 -1.611 -3.565 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.534 -3.359 -4.521 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.342 -1.773 -4.522 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.764 -2.986 -3.289 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.948 -3.943 -2.735 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.211 -3.573 -1.536 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.619 -2.786 -1.423 1.00 0.00 H new ATOM 354 N SER A 49 3.262 1.182 -3.350 1.00 0.00 N ATOM 355 CA SER A 49 3.868 2.296 -4.129 1.00 0.00 C ATOM 356 C SER A 49 2.839 3.366 -4.469 1.00 0.00 C ATOM 357 O SER A 49 1.642 3.139 -4.453 1.00 0.00 O ATOM 358 CB SER A 49 4.491 1.765 -5.416 1.00 0.00 C ATOM 359 OG SER A 49 5.901 1.938 -5.354 1.00 0.00 O ATOM 0 H SER A 49 2.263 1.255 -3.159 1.00 0.00 H new ATOM 0 HA SER A 49 4.640 2.747 -3.506 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.246 0.711 -5.545 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.084 2.295 -6.277 1.00 0.00 H new ATOM 0 HG SER A 49 6.106 2.851 -5.064 1.00 0.00 H new ATOM 360 N ALA A 50 3.311 4.545 -4.769 1.00 0.00 N ATOM 361 CA ALA A 50 2.377 5.654 -5.109 1.00 0.00 C ATOM 362 C ALA A 50 3.147 6.799 -5.790 1.00 0.00 C ATOM 363 O ALA A 50 4.359 6.784 -5.858 1.00 0.00 O ATOM 364 CB ALA A 50 1.714 6.139 -3.820 1.00 0.00 C ATOM 0 H ALA A 50 4.301 4.788 -4.793 1.00 0.00 H new ATOM 0 HA ALA A 50 1.612 5.305 -5.803 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.025 6.952 -4.049 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.165 5.317 -3.362 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.478 6.494 -3.129 1.00 0.00 H new ATOM 365 N VAL A 51 2.453 7.786 -6.307 1.00 0.00 N ATOM 366 CA VAL A 51 3.146 8.914 -6.990 1.00 0.00 C ATOM 367 C VAL A 51 2.293 10.176 -6.832 1.00 0.00 C ATOM 368 O VAL A 51 1.380 10.423 -7.593 1.00 0.00 O ATOM 369 CB VAL A 51 3.318 8.581 -8.475 1.00 0.00 C ATOM 370 CG1 VAL A 51 1.946 8.463 -9.141 1.00 0.00 C ATOM 371 CG2 VAL A 51 4.122 9.690 -9.156 1.00 0.00 C ATOM 0 H VAL A 51 1.436 7.855 -6.283 1.00 0.00 H new ATOM 0 HA VAL A 51 4.129 9.077 -6.549 1.00 0.00 H new ATOM 0 HB VAL A 51 3.848 7.633 -8.573 1.00 0.00 H new ATOM 0 HG11 VAL A 51 2.073 8.226 -10.197 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.374 7.671 -8.658 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.412 9.408 -9.043 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.245 9.454 -10.213 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.593 10.638 -9.055 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.102 9.770 -8.686 1.00 0.00 H new ATOM 372 N SER A 52 2.567 10.961 -5.830 1.00 0.00 N ATOM 373 CA SER A 52 1.749 12.191 -5.597 1.00 0.00 C ATOM 374 C SER A 52 2.293 13.387 -6.384 1.00 0.00 C ATOM 375 O SER A 52 3.476 13.495 -6.647 1.00 0.00 O ATOM 376 CB SER A 52 1.765 12.532 -4.107 1.00 0.00 C ATOM 377 OG SER A 52 0.450 12.871 -3.682 1.00 0.00 O ATOM 0 H SER A 52 3.321 10.808 -5.160 1.00 0.00 H new ATOM 0 HA SER A 52 0.733 11.989 -5.937 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.136 11.683 -3.533 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.444 13.364 -3.921 1.00 0.00 H new ATOM 0 HG SER A 52 0.464 13.103 -2.730 1.00 0.00 H new ATOM 378 N GLY A 53 1.419 14.292 -6.743 1.00 0.00 N ATOM 379 CA GLY A 53 1.834 15.509 -7.500 1.00 0.00 C ATOM 380 C GLY A 53 2.371 15.101 -8.863 1.00 0.00 C ATOM 381 O GLY A 53 2.227 13.966 -9.275 1.00 0.00 O ATOM 0 H GLY A 53 0.421 14.237 -6.540 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.986 16.183 -7.619 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.598 16.053 -6.944 1.00 0.00 H new ATOM 382 N SER A 54 3.006 16.008 -9.563 1.00 0.00 N ATOM 383 CA SER A 54 3.573 15.654 -10.894 1.00 0.00 C ATOM 384 C SER A 54 4.229 14.280 -10.774 1.00 0.00 C ATOM 385 O SER A 54 4.293 13.516 -11.716 1.00 0.00 O ATOM 386 CB SER A 54 4.619 16.691 -11.300 1.00 0.00 C ATOM 387 OG SER A 54 5.837 16.415 -10.622 1.00 0.00 O ATOM 0 H SER A 54 3.154 16.973 -9.269 1.00 0.00 H new ATOM 0 HA SER A 54 2.788 15.636 -11.650 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.775 16.665 -12.378 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.270 17.694 -11.053 1.00 0.00 H new ATOM 0 HG SER A 54 6.512 17.077 -10.880 1.00 0.00 H new ATOM 388 N GLY A 55 4.693 13.964 -9.595 1.00 0.00 N ATOM 389 CA GLY A 55 5.322 12.642 -9.361 1.00 0.00 C ATOM 390 C GLY A 55 6.432 12.783 -8.320 1.00 0.00 C ATOM 391 O GLY A 55 6.928 11.806 -7.794 1.00 0.00 O ATOM 0 H GLY A 55 4.661 14.575 -8.779 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.574 11.928 -9.017 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.730 12.252 -10.293 1.00 0.00 H new ATOM 392 N GLY A 56 6.821 13.993 -8.008 1.00 0.00 N ATOM 393 CA GLY A 56 7.890 14.193 -6.991 1.00 0.00 C ATOM 394 C GLY A 56 7.630 13.257 -5.812 1.00 0.00 C ATOM 395 O GLY A 56 8.537 12.662 -5.263 1.00 0.00 O ATOM 0 H GLY A 56 6.443 14.849 -8.415 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.868 13.989 -7.426 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.901 15.230 -6.654 1.00 0.00 H new ATOM 396 N SER A 57 6.391 13.110 -5.429 1.00 0.00 N ATOM 397 CA SER A 57 6.065 12.200 -4.299 1.00 0.00 C ATOM 398 C SER A 57 6.052 10.765 -4.820 1.00 0.00 C ATOM 399 O SER A 57 5.541 10.489 -5.889 1.00 0.00 O ATOM 400 CB SER A 57 4.689 12.551 -3.742 1.00 0.00 C ATOM 401 OG SER A 57 4.828 13.565 -2.755 1.00 0.00 O ATOM 0 H SER A 57 5.591 13.582 -5.851 1.00 0.00 H new ATOM 0 HA SER A 57 6.808 12.305 -3.508 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.036 12.895 -4.544 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.223 11.666 -3.308 1.00 0.00 H new ATOM 0 HG SER A 57 3.946 13.795 -2.396 1.00 0.00 H new ATOM 402 N THR A 58 6.607 9.850 -4.081 1.00 0.00 N ATOM 403 CA THR A 58 6.629 8.439 -4.543 1.00 0.00 C ATOM 404 C THR A 58 6.560 7.527 -3.330 1.00 0.00 C ATOM 405 O THR A 58 7.000 7.878 -2.253 1.00 0.00 O ATOM 406 CB THR A 58 7.925 8.169 -5.315 1.00 0.00 C ATOM 407 OG1 THR A 58 9.045 8.556 -4.526 1.00 0.00 O ATOM 408 CG2 THR A 58 7.920 8.967 -6.620 1.00 0.00 C ATOM 0 H THR A 58 7.047 10.019 -3.176 1.00 0.00 H new ATOM 0 HA THR A 58 5.779 8.251 -5.199 1.00 0.00 H new ATOM 0 HB THR A 58 7.993 7.105 -5.540 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.871 8.380 -5.023 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.842 8.774 -7.168 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.067 8.665 -7.228 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.847 10.031 -6.395 1.00 0.00 H new ATOM 409 N TYR A 59 6.005 6.366 -3.486 1.00 0.00 N ATOM 410 CA TYR A 59 5.907 5.449 -2.330 1.00 0.00 C ATOM 411 C TYR A 59 6.393 4.064 -2.724 1.00 0.00 C ATOM 412 O TYR A 59 6.384 3.696 -3.884 1.00 0.00 O ATOM 413 CB TYR A 59 4.473 5.407 -1.860 1.00 0.00 C ATOM 414 CG TYR A 59 4.444 5.780 -0.407 1.00 0.00 C ATOM 415 CD1 TYR A 59 4.460 7.127 -0.030 1.00 0.00 C ATOM 416 CD2 TYR A 59 4.408 4.778 0.559 1.00 0.00 C ATOM 417 CE1 TYR A 59 4.434 7.468 1.329 1.00 0.00 C ATOM 418 CE2 TYR A 59 4.384 5.112 1.915 1.00 0.00 C ATOM 419 CZ TYR A 59 4.395 6.459 2.302 1.00 0.00 C ATOM 420 OH TYR A 59 4.371 6.793 3.642 1.00 0.00 O ATOM 0 H TYR A 59 5.616 6.014 -4.361 1.00 0.00 H new ATOM 0 HA TYR A 59 6.537 5.805 -1.515 1.00 0.00 H new ATOM 0 HB2 TYR A 59 3.862 6.097 -2.442 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.055 4.411 -2.005 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.492 7.901 -0.783 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.399 3.740 0.259 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.444 8.506 1.626 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.357 4.334 2.664 1.00 0.00 H new ATOM 0 HH TYR A 59 4.344 5.976 4.182 1.00 0.00 H new ATOM 421 N TYR A 60 6.878 3.325 -1.757 1.00 0.00 N ATOM 422 CA TYR A 60 7.451 1.976 -2.029 1.00 0.00 C ATOM 423 C TYR A 60 7.202 1.046 -0.846 1.00 0.00 C ATOM 424 O TYR A 60 8.134 0.626 -0.187 1.00 0.00 O ATOM 425 CB TYR A 60 8.967 2.111 -2.158 1.00 0.00 C ATOM 426 CG TYR A 60 9.334 2.996 -3.317 1.00 0.00 C ATOM 427 CD1 TYR A 60 9.038 4.360 -3.276 1.00 0.00 C ATOM 428 CD2 TYR A 60 9.991 2.453 -4.421 1.00 0.00 C ATOM 429 CE1 TYR A 60 9.398 5.187 -4.343 1.00 0.00 C ATOM 430 CE2 TYR A 60 10.353 3.273 -5.491 1.00 0.00 C ATOM 431 CZ TYR A 60 10.058 4.643 -5.454 1.00 0.00 C ATOM 432 OH TYR A 60 10.417 5.454 -6.511 1.00 0.00 O ATOM 0 H TYR A 60 6.900 3.606 -0.777 1.00 0.00 H new ATOM 0 HA TYR A 60 6.990 1.579 -2.934 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.378 2.523 -1.237 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.413 1.126 -2.293 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.530 4.776 -2.418 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.220 1.398 -4.448 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.169 6.242 -4.312 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.860 2.852 -6.347 1.00 0.00 H new ATOM 0 HH TYR A 60 10.866 4.918 -7.197 1.00 0.00 H new ATOM 433 N ALA A 61 5.989 0.706 -0.554 1.00 0.00 N ATOM 434 CA ALA A 61 5.769 -0.205 0.599 1.00 0.00 C ATOM 435 C ALA A 61 6.397 0.409 1.850 1.00 0.00 C ATOM 436 O ALA A 61 6.705 1.583 1.890 1.00 0.00 O ATOM 437 CB ALA A 61 6.441 -1.548 0.308 1.00 0.00 C ATOM 0 H ALA A 61 5.151 1.010 -1.050 1.00 0.00 H new ATOM 0 HA ALA A 61 4.701 -0.351 0.757 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.285 -2.223 1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.008 -1.984 -0.592 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.510 -1.395 0.159 1.00 0.00 H new ATOM 438 N ASP A 62 6.593 -0.378 2.872 1.00 0.00 N ATOM 439 CA ASP A 62 7.207 0.158 4.118 1.00 0.00 C ATOM 440 C ASP A 62 8.563 -0.518 4.351 1.00 0.00 C ATOM 441 O ASP A 62 9.280 -0.188 5.273 1.00 0.00 O ATOM 442 CB ASP A 62 6.278 -0.121 5.301 1.00 0.00 C ATOM 443 CG ASP A 62 4.834 0.186 4.895 1.00 0.00 C ATOM 444 OD1 ASP A 62 4.649 0.787 3.849 1.00 0.00 O ATOM 445 OD2 ASP A 62 3.939 -0.185 5.636 1.00 0.00 O ATOM 0 H ASP A 62 6.354 -1.369 2.897 1.00 0.00 H new ATOM 0 HA ASP A 62 7.355 1.234 4.021 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.367 -1.162 5.610 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.565 0.491 6.156 1.00 0.00 H new ATOM 446 N SER A 63 8.920 -1.463 3.521 1.00 0.00 N ATOM 447 CA SER A 63 10.229 -2.156 3.702 1.00 0.00 C ATOM 448 C SER A 63 10.905 -2.367 2.347 1.00 0.00 C ATOM 449 O SER A 63 11.973 -2.942 2.266 1.00 0.00 O ATOM 450 CB SER A 63 10.001 -3.522 4.341 1.00 0.00 C ATOM 451 OG SER A 63 9.199 -3.372 5.505 1.00 0.00 O ATOM 0 H SER A 63 8.364 -1.784 2.728 1.00 0.00 H new ATOM 0 HA SER A 63 10.862 -1.539 4.340 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.511 -4.190 3.632 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.956 -3.978 4.601 1.00 0.00 H new ATOM 0 HG SER A 63 9.051 -4.249 5.915 1.00 0.00 H new ATOM 452 N VAL A 64 10.302 -1.923 1.280 1.00 0.00 N ATOM 453 CA VAL A 64 10.937 -2.127 -0.047 1.00 0.00 C ATOM 454 C VAL A 64 11.307 -0.773 -0.650 1.00 0.00 C ATOM 455 O VAL A 64 11.389 -0.620 -1.852 1.00 0.00 O ATOM 456 CB VAL A 64 9.985 -2.856 -1.000 1.00 0.00 C ATOM 457 CG1 VAL A 64 10.800 -3.812 -1.871 1.00 0.00 C ATOM 458 CG2 VAL A 64 8.932 -3.657 -0.222 1.00 0.00 C ATOM 0 H VAL A 64 9.407 -1.433 1.270 1.00 0.00 H new ATOM 0 HA VAL A 64 11.832 -2.734 0.090 1.00 0.00 H new ATOM 0 HB VAL A 64 9.470 -2.118 -1.615 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.134 -4.338 -2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.535 -3.246 -2.444 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.313 -4.535 -1.236 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.270 -4.164 -0.923 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.428 -4.396 0.407 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.349 -2.981 0.403 1.00 0.00 H new ATOM 459 N LYS A 65 11.527 0.214 0.173 1.00 0.00 N ATOM 460 CA LYS A 65 11.890 1.559 -0.358 1.00 0.00 C ATOM 461 C LYS A 65 13.164 1.444 -1.200 1.00 0.00 C ATOM 462 O LYS A 65 14.165 0.916 -0.759 1.00 0.00 O ATOM 463 CB LYS A 65 12.127 2.528 0.803 1.00 0.00 C ATOM 464 CG LYS A 65 13.295 2.032 1.658 1.00 0.00 C ATOM 465 CD LYS A 65 12.818 1.808 3.093 1.00 0.00 C ATOM 466 CE LYS A 65 13.004 0.335 3.465 1.00 0.00 C ATOM 467 NZ LYS A 65 14.053 0.217 4.518 1.00 0.00 N ATOM 0 H LYS A 65 11.471 0.148 1.189 1.00 0.00 H new ATOM 0 HA LYS A 65 11.076 1.936 -0.977 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.342 3.525 0.419 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.226 2.609 1.412 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.692 1.104 1.247 1.00 0.00 H new ATOM 0 HG3 LYS A 65 14.106 2.760 1.643 1.00 0.00 H new ATOM 0 HD2 LYS A 65 13.381 2.442 3.778 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.769 2.089 3.188 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.063 -0.082 3.825 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.291 -0.240 2.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 14.180 -0.784 4.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 14.951 0.600 4.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.761 0.753 5.360 1.00 0.00 H new ATOM 468 N GLY A 66 13.134 1.927 -2.412 1.00 0.00 N ATOM 469 CA GLY A 66 14.343 1.837 -3.278 1.00 0.00 C ATOM 470 C GLY A 66 14.321 0.515 -4.048 1.00 0.00 C ATOM 471 O GLY A 66 14.822 0.420 -5.153 1.00 0.00 O ATOM 0 H GLY A 66 12.326 2.379 -2.839 1.00 0.00 H new ATOM 0 HA2 GLY A 66 14.368 2.675 -3.974 1.00 0.00 H new ATOM 0 HA3 GLY A 66 15.245 1.901 -2.669 1.00 0.00 H new ATOM 472 N ARG A 67 13.739 -0.505 -3.479 1.00 0.00 N ATOM 473 CA ARG A 67 13.676 -1.815 -4.180 1.00 0.00 C ATOM 474 C ARG A 67 12.262 -2.008 -4.730 1.00 0.00 C ATOM 475 O ARG A 67 11.857 -3.102 -5.065 1.00 0.00 O ATOM 476 CB ARG A 67 14.001 -2.938 -3.192 1.00 0.00 C ATOM 477 CG ARG A 67 15.453 -3.385 -3.381 1.00 0.00 C ATOM 478 CD ARG A 67 15.572 -4.880 -3.082 1.00 0.00 C ATOM 479 NE ARG A 67 16.947 -5.346 -3.422 1.00 0.00 N ATOM 480 CZ ARG A 67 17.978 -4.836 -2.807 1.00 0.00 C ATOM 481 NH1 ARG A 67 18.564 -3.774 -3.289 1.00 0.00 N ATOM 482 NH2 ARG A 67 18.426 -5.390 -1.715 1.00 0.00 N ATOM 0 H ARG A 67 13.304 -0.486 -2.557 1.00 0.00 H new ATOM 0 HA ARG A 67 14.398 -1.838 -4.996 1.00 0.00 H new ATOM 0 HB2 ARG A 67 13.847 -2.593 -2.170 1.00 0.00 H new ATOM 0 HB3 ARG A 67 13.327 -3.780 -3.349 1.00 0.00 H new ATOM 0 HG2 ARG A 67 15.777 -3.181 -4.401 1.00 0.00 H new ATOM 0 HG3 ARG A 67 16.108 -2.818 -2.719 1.00 0.00 H new ATOM 0 HD2 ARG A 67 15.362 -5.069 -2.029 1.00 0.00 H new ATOM 0 HD3 ARG A 67 14.834 -5.437 -3.659 1.00 0.00 H new ATOM 0 HE ARG A 67 17.081 -6.063 -4.135 1.00 0.00 H new ATOM 0 HH11 ARG A 67 18.216 -3.344 -4.146 1.00 0.00 H new ATOM 0 HH12 ARG A 67 19.370 -3.374 -2.809 1.00 0.00 H new ATOM 0 HH21 ARG A 67 17.970 -6.223 -1.341 1.00 0.00 H new ATOM 0 HH22 ARG A 67 19.232 -4.991 -1.234 1.00 0.00 H new ATOM 483 N PHE A 68 11.510 -0.944 -4.819 1.00 0.00 N ATOM 484 CA PHE A 68 10.120 -1.043 -5.339 1.00 0.00 C ATOM 485 C PHE A 68 9.973 -0.064 -6.497 1.00 0.00 C ATOM 486 O PHE A 68 10.796 0.810 -6.674 1.00 0.00 O ATOM 487 CB PHE A 68 9.149 -0.661 -4.220 1.00 0.00 C ATOM 488 CG PHE A 68 8.469 -1.885 -3.648 1.00 0.00 C ATOM 489 CD1 PHE A 68 8.975 -3.168 -3.894 1.00 0.00 C ATOM 490 CD2 PHE A 68 7.323 -1.731 -2.860 1.00 0.00 C ATOM 491 CE1 PHE A 68 8.333 -4.284 -3.356 1.00 0.00 C ATOM 492 CE2 PHE A 68 6.681 -2.851 -2.326 1.00 0.00 C ATOM 493 CZ PHE A 68 7.185 -4.128 -2.575 1.00 0.00 C ATOM 0 H PHE A 68 11.803 -0.005 -4.551 1.00 0.00 H new ATOM 0 HA PHE A 68 9.905 -2.056 -5.678 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.687 -0.138 -3.430 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.398 0.029 -4.605 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.861 -3.293 -4.499 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.933 -0.743 -2.664 1.00 0.00 H new ATOM 0 HE1 PHE A 68 8.725 -5.273 -3.544 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.795 -2.728 -1.721 1.00 0.00 H new ATOM 0 HZ PHE A 68 6.688 -4.995 -2.165 1.00 0.00 H new ATOM 494 N THR A 69 8.956 -0.193 -7.303 1.00 0.00 N ATOM 495 CA THR A 69 8.833 0.760 -8.438 1.00 0.00 C ATOM 496 C THR A 69 7.369 0.999 -8.824 1.00 0.00 C ATOM 497 O THR A 69 6.655 0.093 -9.215 1.00 0.00 O ATOM 498 CB THR A 69 9.578 0.195 -9.640 1.00 0.00 C ATOM 499 OG1 THR A 69 9.710 1.201 -10.634 1.00 0.00 O ATOM 500 CG2 THR A 69 8.794 -0.985 -10.201 1.00 0.00 C ATOM 0 H THR A 69 8.223 -0.898 -7.229 1.00 0.00 H new ATOM 0 HA THR A 69 9.260 1.714 -8.128 1.00 0.00 H new ATOM 0 HB THR A 69 10.571 -0.137 -9.336 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.191 0.837 -11.406 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.321 -1.395 -11.062 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.696 -1.754 -9.435 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.803 -0.651 -10.508 1.00 0.00 H new ATOM 501 N ILE A 70 6.944 2.233 -8.757 1.00 0.00 N ATOM 502 CA ILE A 70 5.555 2.586 -9.162 1.00 0.00 C ATOM 503 C ILE A 70 5.526 2.653 -10.689 1.00 0.00 C ATOM 504 O ILE A 70 5.648 3.711 -11.272 1.00 0.00 O ATOM 505 CB ILE A 70 5.197 3.945 -8.581 1.00 0.00 C ATOM 506 CG1 ILE A 70 3.801 4.341 -9.054 1.00 0.00 C ATOM 507 CG2 ILE A 70 6.214 4.968 -9.064 1.00 0.00 C ATOM 508 CD1 ILE A 70 2.748 3.593 -8.240 1.00 0.00 C ATOM 0 H ILE A 70 7.508 3.019 -8.435 1.00 0.00 H new ATOM 0 HA ILE A 70 4.840 1.848 -8.799 1.00 0.00 H new ATOM 0 HB ILE A 70 5.209 3.904 -7.492 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.662 5.417 -8.945 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.687 4.110 -10.113 1.00 0.00 H new ATOM 0 HG21 ILE A 70 5.968 5.947 -8.654 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.210 4.675 -8.732 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.194 5.015 -10.153 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.753 3.879 -8.581 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.882 2.519 -8.371 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.856 3.846 -7.185 1.00 0.00 H new ATOM 509 N SER A 71 5.387 1.531 -11.346 1.00 0.00 N ATOM 510 CA SER A 71 5.378 1.546 -12.839 1.00 0.00 C ATOM 511 C SER A 71 3.992 1.942 -13.324 1.00 0.00 C ATOM 512 O SER A 71 3.015 1.723 -12.641 1.00 0.00 O ATOM 513 CB SER A 71 5.724 0.150 -13.367 1.00 0.00 C ATOM 514 OG SER A 71 6.945 0.210 -14.094 1.00 0.00 O ATOM 0 H SER A 71 5.280 0.612 -10.917 1.00 0.00 H new ATOM 0 HA SER A 71 6.114 2.262 -13.204 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.815 -0.552 -12.538 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.923 -0.217 -14.009 1.00 0.00 H new ATOM 0 HG SER A 71 7.543 -0.503 -13.788 1.00 0.00 H new ATOM 515 N ARG A 72 3.874 2.525 -14.491 1.00 0.00 N ATOM 516 CA ARG A 72 2.511 2.891 -14.947 1.00 0.00 C ATOM 517 C ARG A 72 2.220 2.339 -16.342 1.00 0.00 C ATOM 518 O ARG A 72 3.039 1.696 -16.970 1.00 0.00 O ATOM 519 CB ARG A 72 2.253 4.412 -15.002 1.00 0.00 C ATOM 520 CG ARG A 72 2.122 5.089 -13.626 1.00 0.00 C ATOM 521 CD ARG A 72 3.077 4.504 -12.610 1.00 0.00 C ATOM 522 NE ARG A 72 3.420 5.575 -11.633 1.00 0.00 N ATOM 523 CZ ARG A 72 4.336 6.459 -11.932 1.00 0.00 C ATOM 524 NH1 ARG A 72 5.426 6.091 -12.552 1.00 0.00 N ATOM 525 NH2 ARG A 72 4.161 7.713 -11.618 1.00 0.00 N ATOM 0 H ARG A 72 4.639 2.755 -15.125 1.00 0.00 H new ATOM 0 HA ARG A 72 1.854 2.450 -14.197 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.068 4.886 -15.550 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.340 4.592 -15.570 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.313 6.157 -13.729 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.099 4.981 -13.265 1.00 0.00 H new ATOM 0 HD2 ARG A 72 2.620 3.656 -12.101 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.977 4.134 -13.101 1.00 0.00 H new ATOM 0 HE ARG A 72 2.942 5.619 -10.733 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.564 5.112 -12.804 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.139 6.783 -12.784 1.00 0.00 H new ATOM 0 HH21 ARG A 72 3.309 8.005 -11.139 1.00 0.00 H new ATOM 0 HH22 ARG A 72 4.876 8.402 -11.852 1.00 0.00 H new ATOM 526 N ASP A 73 1.032 2.615 -16.822 1.00 0.00 N ATOM 527 CA ASP A 73 0.605 2.161 -18.171 1.00 0.00 C ATOM 528 C ASP A 73 -0.312 3.257 -18.751 1.00 0.00 C ATOM 529 O ASP A 73 -1.520 3.103 -18.854 1.00 0.00 O ATOM 530 CB ASP A 73 -0.143 0.827 -18.037 1.00 0.00 C ATOM 531 CG ASP A 73 0.303 -0.136 -19.137 1.00 0.00 C ATOM 532 OD1 ASP A 73 1.409 0.026 -19.626 1.00 0.00 O ATOM 533 OD2 ASP A 73 -0.466 -1.024 -19.469 1.00 0.00 O ATOM 0 H ASP A 73 0.326 3.151 -16.317 1.00 0.00 H new ATOM 0 HA ASP A 73 1.456 2.003 -18.834 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.051 0.389 -17.058 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.218 0.995 -18.104 1.00 0.00 H new ATOM 534 N ASN A 74 0.288 4.380 -19.081 1.00 0.00 N ATOM 535 CA ASN A 74 -0.445 5.570 -19.623 1.00 0.00 C ATOM 536 C ASN A 74 -1.577 5.185 -20.580 1.00 0.00 C ATOM 537 O ASN A 74 -2.741 5.243 -20.234 1.00 0.00 O ATOM 538 CB ASN A 74 0.552 6.431 -20.394 1.00 0.00 C ATOM 539 CG ASN A 74 1.171 7.465 -19.454 1.00 0.00 C ATOM 540 OD1 ASN A 74 0.719 7.640 -18.341 1.00 0.00 O ATOM 541 ND2 ASN A 74 2.196 8.162 -19.859 1.00 0.00 N ATOM 0 H ASN A 74 1.294 4.523 -18.992 1.00 0.00 H new ATOM 0 HA ASN A 74 -0.888 6.099 -18.779 1.00 0.00 H new ATOM 0 HB2 ASN A 74 1.332 5.804 -20.825 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.051 6.932 -21.223 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.618 8.855 -19.241 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.575 8.015 -20.794 1.00 0.00 H new ATOM 542 N SER A 75 -1.245 4.842 -21.799 1.00 0.00 N ATOM 543 CA SER A 75 -2.301 4.498 -22.803 1.00 0.00 C ATOM 544 C SER A 75 -2.802 3.070 -22.592 1.00 0.00 C ATOM 545 O SER A 75 -3.072 2.353 -23.534 1.00 0.00 O ATOM 546 CB SER A 75 -1.717 4.625 -24.211 1.00 0.00 C ATOM 547 OG SER A 75 -2.327 5.725 -24.875 1.00 0.00 O ATOM 0 H SER A 75 -0.287 4.785 -22.144 1.00 0.00 H new ATOM 0 HA SER A 75 -3.139 5.184 -22.680 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.638 4.770 -24.158 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.888 3.706 -24.772 1.00 0.00 H new ATOM 0 HG SER A 75 -1.954 5.810 -25.777 1.00 0.00 H new ATOM 548 N LYS A 76 -2.932 2.650 -21.369 1.00 0.00 N ATOM 549 CA LYS A 76 -3.414 1.279 -21.098 1.00 0.00 C ATOM 550 C LYS A 76 -4.493 1.335 -20.010 1.00 0.00 C ATOM 551 O LYS A 76 -5.045 0.327 -19.619 1.00 0.00 O ATOM 552 CB LYS A 76 -2.238 0.430 -20.629 1.00 0.00 C ATOM 553 CG LYS A 76 -1.207 0.326 -21.759 1.00 0.00 C ATOM 554 CD LYS A 76 -0.239 1.519 -21.704 1.00 0.00 C ATOM 555 CE LYS A 76 0.564 1.581 -23.003 1.00 0.00 C ATOM 556 NZ LYS A 76 2.020 1.561 -22.686 1.00 0.00 N ATOM 0 H LYS A 76 -2.722 3.206 -20.540 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.840 0.839 -22.000 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.782 0.876 -19.745 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.583 -0.564 -20.343 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.651 -0.607 -21.670 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.714 0.304 -22.723 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.795 2.446 -21.562 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.433 1.417 -20.852 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.308 0.736 -23.642 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.313 2.486 -23.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.568 1.603 -23.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.257 2.381 -22.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.252 0.685 -22.176 1.00 0.00 H new ATOM 557 N ASN A 77 -4.802 2.516 -19.530 1.00 0.00 N ATOM 558 CA ASN A 77 -5.840 2.661 -18.491 1.00 0.00 C ATOM 559 C ASN A 77 -5.355 2.096 -17.168 1.00 0.00 C ATOM 560 O ASN A 77 -6.136 1.583 -16.406 1.00 0.00 O ATOM 561 CB ASN A 77 -7.122 1.945 -18.923 1.00 0.00 C ATOM 562 CG ASN A 77 -7.567 2.475 -20.286 1.00 0.00 C ATOM 563 OD1 ASN A 77 -6.753 2.905 -21.078 1.00 0.00 O ATOM 564 ND2 ASN A 77 -8.835 2.465 -20.595 1.00 0.00 N ATOM 0 H ASN A 77 -4.367 3.390 -19.825 1.00 0.00 H new ATOM 0 HA ASN A 77 -6.050 3.723 -18.361 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.950 0.870 -18.977 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.907 2.105 -18.184 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -9.142 2.818 -21.501 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -9.519 2.104 -19.930 1.00 0.00 H new ATOM 565 N THR A 78 -4.088 2.214 -16.863 1.00 0.00 N ATOM 566 CA THR A 78 -3.621 1.723 -15.541 1.00 0.00 C ATOM 567 C THR A 78 -2.112 1.839 -15.435 1.00 0.00 C ATOM 568 O THR A 78 -1.431 2.174 -16.376 1.00 0.00 O ATOM 569 CB THR A 78 -4.026 0.268 -15.366 1.00 0.00 C ATOM 570 OG1 THR A 78 -3.423 -0.255 -14.191 1.00 0.00 O ATOM 571 CG2 THR A 78 -3.560 -0.524 -16.582 1.00 0.00 C ATOM 0 H THR A 78 -3.371 2.622 -17.463 1.00 0.00 H new ATOM 0 HA THR A 78 -4.079 2.331 -14.761 1.00 0.00 H new ATOM 0 HB THR A 78 -5.109 0.193 -15.273 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.550 -0.641 -14.415 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.846 -1.570 -16.467 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.025 -0.118 -17.481 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.476 -0.452 -16.670 1.00 0.00 H new ATOM 572 N LEU A 79 -1.599 1.566 -14.276 1.00 0.00 N ATOM 573 CA LEU A 79 -0.153 1.636 -14.044 1.00 0.00 C ATOM 574 C LEU A 79 0.236 0.367 -13.285 1.00 0.00 C ATOM 575 O LEU A 79 -0.598 -0.253 -12.674 1.00 0.00 O ATOM 576 CB LEU A 79 0.130 2.883 -13.216 1.00 0.00 C ATOM 577 CG LEU A 79 -0.829 2.919 -12.069 1.00 0.00 C ATOM 578 CD1 LEU A 79 -0.055 3.176 -10.777 1.00 0.00 C ATOM 579 CD2 LEU A 79 -1.852 4.019 -12.312 1.00 0.00 C ATOM 0 H LEU A 79 -2.145 1.290 -13.460 1.00 0.00 H new ATOM 0 HA LEU A 79 0.420 1.698 -14.969 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.157 2.870 -12.851 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.021 3.778 -13.829 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.351 1.967 -11.980 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.749 3.203 -9.937 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.671 2.377 -10.623 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.466 4.131 -10.849 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.555 4.052 -11.480 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.342 4.979 -12.394 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.393 3.815 -13.236 1.00 0.00 H new ATOM 580 N TYR A 80 1.460 -0.070 -13.358 1.00 0.00 N ATOM 581 CA TYR A 80 1.811 -1.346 -12.669 1.00 0.00 C ATOM 582 C TYR A 80 2.742 -1.127 -11.478 1.00 0.00 C ATOM 583 O TYR A 80 3.122 -0.022 -11.152 1.00 0.00 O ATOM 584 CB TYR A 80 2.472 -2.278 -13.682 1.00 0.00 C ATOM 585 CG TYR A 80 1.446 -2.713 -14.704 1.00 0.00 C ATOM 586 CD1 TYR A 80 0.710 -1.759 -15.428 1.00 0.00 C ATOM 587 CD2 TYR A 80 1.229 -4.077 -14.927 1.00 0.00 C ATOM 588 CE1 TYR A 80 -0.238 -2.179 -16.370 1.00 0.00 C ATOM 589 CE2 TYR A 80 0.282 -4.493 -15.868 1.00 0.00 C ATOM 590 CZ TYR A 80 -0.452 -3.544 -16.590 1.00 0.00 C ATOM 591 OH TYR A 80 -1.385 -3.957 -17.518 1.00 0.00 O ATOM 0 H TYR A 80 2.223 0.390 -13.855 1.00 0.00 H new ATOM 0 HA TYR A 80 0.895 -1.787 -12.277 1.00 0.00 H new ATOM 0 HB2 TYR A 80 3.300 -1.769 -14.175 1.00 0.00 H new ATOM 0 HB3 TYR A 80 2.889 -3.148 -13.175 1.00 0.00 H new ATOM 0 HD1 TYR A 80 0.875 -0.705 -15.258 1.00 0.00 H new ATOM 0 HD2 TYR A 80 1.794 -4.810 -14.371 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -0.805 -1.448 -16.927 1.00 0.00 H new ATOM 0 HE2 TYR A 80 0.117 -5.547 -16.038 1.00 0.00 H new ATOM 0 HH TYR A 80 -1.407 -4.936 -17.547 1.00 0.00 H new ATOM 592 N LEU A 81 3.088 -2.195 -10.812 1.00 0.00 N ATOM 593 CA LEU A 81 3.969 -2.092 -9.619 1.00 0.00 C ATOM 594 C LEU A 81 4.978 -3.247 -9.613 1.00 0.00 C ATOM 595 O LEU A 81 4.645 -4.360 -9.256 1.00 0.00 O ATOM 596 CB LEU A 81 3.106 -2.220 -8.348 1.00 0.00 C ATOM 597 CG LEU A 81 2.617 -0.858 -7.839 1.00 0.00 C ATOM 598 CD1 LEU A 81 2.317 -0.946 -6.332 1.00 0.00 C ATOM 599 CD2 LEU A 81 3.673 0.211 -8.045 1.00 0.00 C ATOM 0 H LEU A 81 2.794 -3.143 -11.048 1.00 0.00 H new ATOM 0 HA LEU A 81 4.491 -1.136 -9.646 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.247 -2.857 -8.557 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.685 -2.712 -7.566 1.00 0.00 H new ATOM 0 HG LEU A 81 1.719 -0.595 -8.399 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.970 0.023 -5.973 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.545 -1.695 -6.158 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.224 -1.228 -5.796 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.300 1.166 -7.676 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.577 -0.061 -7.500 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.901 0.297 -9.107 1.00 0.00 H new ATOM 600 N GLN A 82 6.221 -2.996 -9.930 1.00 0.00 N ATOM 601 CA GLN A 82 7.225 -4.100 -9.846 1.00 0.00 C ATOM 602 C GLN A 82 7.747 -4.053 -8.409 1.00 0.00 C ATOM 603 O GLN A 82 8.516 -3.181 -8.047 1.00 0.00 O ATOM 604 CB GLN A 82 8.376 -3.884 -10.836 1.00 0.00 C ATOM 605 CG GLN A 82 7.859 -3.191 -12.100 1.00 0.00 C ATOM 606 CD GLN A 82 9.041 -2.643 -12.905 1.00 0.00 C ATOM 607 OE1 GLN A 82 8.926 -1.624 -13.558 1.00 0.00 O ATOM 608 NE2 GLN A 82 10.179 -3.282 -12.888 1.00 0.00 N ATOM 0 H GLN A 82 6.581 -2.093 -10.238 1.00 0.00 H new ATOM 0 HA GLN A 82 6.781 -5.063 -10.097 1.00 0.00 H new ATOM 0 HB2 GLN A 82 9.156 -3.279 -10.373 1.00 0.00 H new ATOM 0 HB3 GLN A 82 8.827 -4.842 -11.096 1.00 0.00 H new ATOM 0 HG2 GLN A 82 7.289 -3.895 -12.706 1.00 0.00 H new ATOM 0 HG3 GLN A 82 7.182 -2.380 -11.831 1.00 0.00 H new ATOM 0 HE21 GLN A 82 10.276 -4.137 -12.340 1.00 0.00 H new ATOM 0 HE22 GLN A 82 10.972 -2.926 -13.423 1.00 0.00 H new ATOM 609 N MET A 83 7.249 -4.900 -7.551 1.00 0.00 N ATOM 610 CA MET A 83 7.640 -4.796 -6.112 1.00 0.00 C ATOM 611 C MET A 83 7.987 -6.187 -5.561 1.00 0.00 C ATOM 612 O MET A 83 7.136 -7.043 -5.418 1.00 0.00 O ATOM 613 CB MET A 83 6.441 -4.157 -5.344 1.00 0.00 C ATOM 614 CG MET A 83 5.412 -3.656 -6.366 1.00 0.00 C ATOM 615 SD MET A 83 6.028 -2.122 -7.113 1.00 0.00 S ATOM 616 CE MET A 83 5.742 -1.054 -5.702 1.00 0.00 C ATOM 0 H MET A 83 6.597 -5.651 -7.777 1.00 0.00 H new ATOM 0 HA MET A 83 8.526 -4.173 -5.989 1.00 0.00 H new ATOM 0 HB2 MET A 83 5.986 -4.890 -4.678 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.788 -3.332 -4.722 1.00 0.00 H new ATOM 0 HG2 MET A 83 5.246 -4.410 -7.135 1.00 0.00 H new ATOM 0 HG3 MET A 83 4.452 -3.480 -5.880 1.00 0.00 H new ATOM 0 HE1 MET A 83 6.530 -0.303 -5.648 1.00 0.00 H new ATOM 0 HE2 MET A 83 4.776 -0.560 -5.810 1.00 0.00 H new ATOM 0 HE3 MET A 83 5.745 -1.649 -4.789 1.00 0.00 H new ATOM 617 N ASN A 84 9.247 -6.415 -5.259 1.00 0.00 N ATOM 618 CA ASN A 84 9.675 -7.744 -4.725 1.00 0.00 C ATOM 619 C ASN A 84 10.176 -7.595 -3.279 1.00 0.00 C ATOM 620 O ASN A 84 9.734 -6.741 -2.539 1.00 0.00 O ATOM 621 CB ASN A 84 10.811 -8.296 -5.595 1.00 0.00 C ATOM 622 CG ASN A 84 12.110 -7.545 -5.293 1.00 0.00 C ATOM 623 OD1 ASN A 84 12.111 -6.336 -5.168 1.00 0.00 O ATOM 624 ND2 ASN A 84 13.223 -8.215 -5.168 1.00 0.00 N ATOM 0 H ASN A 84 9.998 -5.732 -5.361 1.00 0.00 H new ATOM 0 HA ASN A 84 8.825 -8.426 -4.742 1.00 0.00 H new ATOM 0 HB2 ASN A 84 10.943 -9.361 -5.403 1.00 0.00 H new ATOM 0 HB3 ASN A 84 10.557 -8.191 -6.650 1.00 0.00 H new ATOM 0 HD21 ASN A 84 14.094 -7.724 -4.965 1.00 0.00 H new ATOM 0 HD22 ASN A 84 13.222 -9.230 -5.273 1.00 0.00 H new ATOM 625 N SER A 85 11.103 -8.427 -2.878 1.00 0.00 N ATOM 626 CA SER A 85 11.647 -8.342 -1.490 1.00 0.00 C ATOM 627 C SER A 85 10.669 -8.987 -0.504 1.00 0.00 C ATOM 628 O SER A 85 10.959 -9.126 0.668 1.00 0.00 O ATOM 629 CB SER A 85 11.861 -6.878 -1.109 1.00 0.00 C ATOM 630 OG SER A 85 13.032 -6.767 -0.311 1.00 0.00 O ATOM 0 H SER A 85 11.508 -9.164 -3.455 1.00 0.00 H new ATOM 0 HA SER A 85 12.599 -8.872 -1.450 1.00 0.00 H new ATOM 0 HB2 SER A 85 11.959 -6.267 -2.006 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.997 -6.503 -0.561 1.00 0.00 H new ATOM 0 HG SER A 85 13.173 -5.829 -0.066 1.00 0.00 H new ATOM 631 N LEU A 86 9.516 -9.387 -0.965 1.00 0.00 N ATOM 632 CA LEU A 86 8.528 -10.023 -0.047 1.00 0.00 C ATOM 633 C LEU A 86 8.932 -11.478 0.195 1.00 0.00 C ATOM 634 O LEU A 86 9.955 -11.931 -0.278 1.00 0.00 O ATOM 635 CB LEU A 86 7.141 -9.977 -0.687 1.00 0.00 C ATOM 636 CG LEU A 86 6.491 -8.626 -0.386 1.00 0.00 C ATOM 637 CD1 LEU A 86 6.221 -7.882 -1.696 1.00 0.00 C ATOM 638 CD2 LEU A 86 5.173 -8.852 0.360 1.00 0.00 C ATOM 0 H LEU A 86 9.215 -9.301 -1.936 1.00 0.00 H new ATOM 0 HA LEU A 86 8.507 -9.487 0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.220 -10.124 -1.764 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.522 -10.786 -0.299 1.00 0.00 H new ATOM 0 HG LEU A 86 7.161 -8.029 0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.758 -6.920 -1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.161 -7.721 -2.224 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.552 -8.474 -2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.708 -7.890 0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.503 -9.449 -0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.369 -9.378 1.294 1.00 0.00 H new ATOM 639 N ARG A 87 8.140 -12.222 0.922 1.00 0.00 N ATOM 640 CA ARG A 87 8.494 -13.643 1.176 1.00 0.00 C ATOM 641 C ARG A 87 7.238 -14.497 1.020 1.00 0.00 C ATOM 642 O ARG A 87 6.207 -14.195 1.575 1.00 0.00 O ATOM 643 CB ARG A 87 9.070 -13.788 2.594 1.00 0.00 C ATOM 644 CG ARG A 87 7.942 -13.975 3.613 1.00 0.00 C ATOM 645 CD ARG A 87 8.407 -13.497 4.990 1.00 0.00 C ATOM 646 NE ARG A 87 9.834 -13.877 5.196 1.00 0.00 N ATOM 647 CZ ARG A 87 10.192 -14.519 6.276 1.00 0.00 C ATOM 648 NH1 ARG A 87 10.124 -15.821 6.315 1.00 0.00 N ATOM 649 NH2 ARG A 87 10.620 -13.859 7.318 1.00 0.00 N ATOM 0 H ARG A 87 7.268 -11.906 1.347 1.00 0.00 H new ATOM 0 HA ARG A 87 9.248 -13.975 0.462 1.00 0.00 H new ATOM 0 HB2 ARG A 87 9.748 -14.641 2.632 1.00 0.00 H new ATOM 0 HB3 ARG A 87 9.655 -12.904 2.848 1.00 0.00 H new ATOM 0 HG2 ARG A 87 7.061 -13.415 3.301 1.00 0.00 H new ATOM 0 HG3 ARG A 87 7.652 -15.025 3.660 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.293 -12.416 5.068 1.00 0.00 H new ATOM 0 HD3 ARG A 87 7.786 -13.940 5.769 1.00 0.00 H new ATOM 0 HE ARG A 87 10.532 -13.635 4.492 1.00 0.00 H new ATOM 0 HH11 ARG A 87 9.791 -16.339 5.502 1.00 0.00 H new ATOM 0 HH12 ARG A 87 10.404 -16.321 7.159 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.675 -12.841 7.289 1.00 0.00 H new ATOM 0 HH22 ARG A 87 10.899 -14.361 8.161 1.00 0.00 H new ATOM 650 N ALA A 88 7.324 -15.557 0.270 1.00 0.00 N ATOM 651 CA ALA A 88 6.146 -16.446 0.067 1.00 0.00 C ATOM 652 C ALA A 88 5.368 -16.584 1.374 1.00 0.00 C ATOM 653 O ALA A 88 4.179 -16.836 1.381 1.00 0.00 O ATOM 654 CB ALA A 88 6.637 -17.825 -0.360 1.00 0.00 C ATOM 0 H ALA A 88 8.170 -15.850 -0.218 1.00 0.00 H new ATOM 0 HA ALA A 88 5.498 -16.018 -0.698 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.783 -18.485 -0.512 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.199 -17.739 -1.290 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.281 -18.238 0.416 1.00 0.00 H new ATOM 655 N GLU A 89 6.041 -16.449 2.479 1.00 0.00 N ATOM 656 CA GLU A 89 5.370 -16.600 3.795 1.00 0.00 C ATOM 657 C GLU A 89 4.696 -15.291 4.237 1.00 0.00 C ATOM 658 O GLU A 89 4.522 -15.056 5.416 1.00 0.00 O ATOM 659 CB GLU A 89 6.428 -16.991 4.825 1.00 0.00 C ATOM 660 CG GLU A 89 6.046 -18.321 5.480 1.00 0.00 C ATOM 661 CD GLU A 89 5.244 -18.051 6.755 1.00 0.00 C ATOM 662 OE1 GLU A 89 5.448 -17.005 7.349 1.00 0.00 O ATOM 663 OE2 GLU A 89 4.442 -18.895 7.117 1.00 0.00 O ATOM 0 H GLU A 89 7.038 -16.238 2.526 1.00 0.00 H new ATOM 0 HA GLU A 89 4.597 -17.364 3.712 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.402 -17.078 4.344 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.515 -16.213 5.584 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.457 -18.923 4.788 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.943 -18.893 5.716 1.00 0.00 H new ATOM 664 N ASP A 90 4.299 -14.438 3.326 1.00 0.00 N ATOM 665 CA ASP A 90 3.629 -13.175 3.765 1.00 0.00 C ATOM 666 C ASP A 90 2.769 -12.602 2.641 1.00 0.00 C ATOM 667 O ASP A 90 2.865 -11.436 2.315 1.00 0.00 O ATOM 668 CB ASP A 90 4.671 -12.130 4.170 1.00 0.00 C ATOM 669 CG ASP A 90 5.004 -12.289 5.655 1.00 0.00 C ATOM 670 OD1 ASP A 90 4.128 -12.039 6.468 1.00 0.00 O ATOM 671 OD2 ASP A 90 6.128 -12.655 5.955 1.00 0.00 O ATOM 0 H ASP A 90 4.406 -14.556 2.319 1.00 0.00 H new ATOM 0 HA ASP A 90 2.997 -13.414 4.620 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.573 -12.249 3.570 1.00 0.00 H new ATOM 0 HB3 ASP A 90 4.290 -11.127 3.977 1.00 0.00 H new ATOM 672 N THR A 91 1.912 -13.394 2.057 1.00 0.00 N ATOM 673 CA THR A 91 1.040 -12.858 0.978 1.00 0.00 C ATOM 674 C THR A 91 0.449 -11.535 1.475 1.00 0.00 C ATOM 675 O THR A 91 0.341 -11.318 2.666 1.00 0.00 O ATOM 676 CB THR A 91 -0.075 -13.869 0.693 1.00 0.00 C ATOM 677 OG1 THR A 91 0.504 -15.095 0.270 1.00 0.00 O ATOM 678 CG2 THR A 91 -1.000 -13.336 -0.404 1.00 0.00 C ATOM 0 H THR A 91 1.779 -14.381 2.279 1.00 0.00 H new ATOM 0 HA THR A 91 1.601 -12.691 0.059 1.00 0.00 H new ATOM 0 HB THR A 91 -0.657 -14.028 1.601 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.205 -15.746 0.088 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.789 -14.062 -0.599 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.445 -12.395 -0.080 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.426 -13.171 -1.316 1.00 0.00 H new ATOM 679 N ALA A 92 0.089 -10.634 0.601 1.00 0.00 N ATOM 680 CA ALA A 92 -0.462 -9.329 1.091 1.00 0.00 C ATOM 681 C ALA A 92 -1.688 -8.915 0.280 1.00 0.00 C ATOM 682 O ALA A 92 -2.062 -9.562 -0.671 1.00 0.00 O ATOM 683 CB ALA A 92 0.607 -8.244 0.961 1.00 0.00 C ATOM 0 H ALA A 92 0.149 -10.737 -0.412 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.754 -9.451 2.134 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.207 -7.295 1.317 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.477 -8.518 1.557 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.900 -8.145 -0.084 1.00 0.00 H new ATOM 684 N VAL A 93 -2.299 -7.820 0.650 1.00 0.00 N ATOM 685 CA VAL A 93 -3.491 -7.321 -0.089 1.00 0.00 C ATOM 686 C VAL A 93 -3.309 -5.805 -0.279 1.00 0.00 C ATOM 687 O VAL A 93 -2.908 -5.120 0.634 1.00 0.00 O ATOM 688 CB VAL A 93 -4.754 -7.637 0.711 1.00 0.00 C ATOM 689 CG1 VAL A 93 -5.980 -7.144 -0.054 1.00 0.00 C ATOM 690 CG2 VAL A 93 -4.855 -9.153 0.895 1.00 0.00 C ATOM 0 H VAL A 93 -2.017 -7.245 1.444 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.591 -7.802 -1.062 1.00 0.00 H new ATOM 0 HB VAL A 93 -4.708 -7.143 1.681 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.880 -7.370 0.517 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -5.906 -6.067 -0.204 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.030 -7.643 -1.022 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.753 -9.391 1.465 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.906 -9.635 -0.081 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.978 -9.514 1.432 1.00 0.00 H new ATOM 691 N TYR A 94 -3.553 -5.269 -1.452 1.00 0.00 N ATOM 692 CA TYR A 94 -3.310 -3.799 -1.653 1.00 0.00 C ATOM 693 C TYR A 94 -4.598 -3.064 -2.047 1.00 0.00 C ATOM 694 O TYR A 94 -5.422 -3.590 -2.759 1.00 0.00 O ATOM 695 CB TYR A 94 -2.298 -3.633 -2.795 1.00 0.00 C ATOM 696 CG TYR A 94 -1.018 -4.373 -2.498 1.00 0.00 C ATOM 697 CD1 TYR A 94 -0.702 -4.762 -1.194 1.00 0.00 C ATOM 698 CD2 TYR A 94 -0.145 -4.662 -3.544 1.00 0.00 C ATOM 699 CE1 TYR A 94 0.487 -5.444 -0.933 1.00 0.00 C ATOM 700 CE2 TYR A 94 1.050 -5.343 -3.286 1.00 0.00 C ATOM 701 CZ TYR A 94 1.365 -5.737 -1.979 1.00 0.00 C ATOM 702 OH TYR A 94 2.541 -6.413 -1.726 1.00 0.00 O ATOM 0 H TYR A 94 -3.904 -5.772 -2.267 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.941 -3.378 -0.718 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.729 -4.005 -3.724 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.084 -2.575 -2.944 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -1.380 -4.534 -0.385 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -0.390 -4.361 -4.552 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.728 -5.745 0.076 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.730 -5.565 -4.095 1.00 0.00 H new ATOM 0 HH TYR A 94 2.725 -6.401 -0.763 1.00 0.00 H new ATOM 703 N TYR A 95 -4.769 -1.832 -1.623 1.00 0.00 N ATOM 704 CA TYR A 95 -5.994 -1.092 -2.027 1.00 0.00 C ATOM 705 C TYR A 95 -5.590 0.253 -2.612 1.00 0.00 C ATOM 706 O TYR A 95 -5.189 1.160 -1.908 1.00 0.00 O ATOM 707 CB TYR A 95 -6.895 -0.875 -0.825 1.00 0.00 C ATOM 708 CG TYR A 95 -7.673 -2.135 -0.563 1.00 0.00 C ATOM 709 CD1 TYR A 95 -7.010 -3.253 -0.060 1.00 0.00 C ATOM 710 CD2 TYR A 95 -9.052 -2.190 -0.820 1.00 0.00 C ATOM 711 CE1 TYR A 95 -7.718 -4.432 0.193 1.00 0.00 C ATOM 712 CE2 TYR A 95 -9.760 -3.371 -0.569 1.00 0.00 C ATOM 713 CZ TYR A 95 -9.093 -4.493 -0.062 1.00 0.00 C ATOM 714 OH TYR A 95 -9.792 -5.656 0.187 1.00 0.00 O ATOM 0 H TYR A 95 -4.121 -1.320 -1.025 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.538 -1.673 -2.772 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.300 -0.611 0.049 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.575 -0.044 -1.010 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.949 -3.209 0.135 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -9.565 -1.324 -1.210 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.203 -5.297 0.586 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -10.821 -3.417 -0.766 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.712 -5.889 1.135 1.00 0.00 H new ATOM 715 N CYS A 96 -5.681 0.379 -3.899 1.00 0.00 N ATOM 716 CA CYS A 96 -5.293 1.648 -4.559 1.00 0.00 C ATOM 717 C CYS A 96 -5.858 2.849 -3.780 1.00 0.00 C ATOM 718 O CYS A 96 -6.659 2.688 -2.880 1.00 0.00 O ATOM 719 CB CYS A 96 -5.857 1.656 -5.980 1.00 0.00 C ATOM 720 SG CYS A 96 -4.663 0.990 -7.168 1.00 0.00 S ATOM 0 H CYS A 96 -6.011 -0.351 -4.530 1.00 0.00 H new ATOM 0 HA CYS A 96 -4.206 1.725 -4.583 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -6.773 1.066 -6.013 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -6.123 2.675 -6.262 1.00 0.00 H new ATOM 721 N ALA A 97 -5.458 4.058 -4.123 1.00 0.00 N ATOM 722 CA ALA A 97 -5.994 5.251 -3.393 1.00 0.00 C ATOM 723 C ALA A 97 -5.262 6.526 -3.845 1.00 0.00 C ATOM 724 O ALA A 97 -4.058 6.628 -3.740 1.00 0.00 O ATOM 725 CB ALA A 97 -5.772 5.062 -1.892 1.00 0.00 C ATOM 0 H ALA A 97 -4.792 4.264 -4.868 1.00 0.00 H new ATOM 0 HA ALA A 97 -7.057 5.350 -3.611 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.160 5.927 -1.355 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.292 4.164 -1.558 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.705 4.959 -1.692 1.00 0.00 H new ATOM 726 N ARG A 98 -5.975 7.514 -4.322 1.00 0.00 N ATOM 727 CA ARG A 98 -5.301 8.772 -4.758 1.00 0.00 C ATOM 728 C ARG A 98 -4.910 9.587 -3.529 1.00 0.00 C ATOM 729 O ARG A 98 -5.126 9.176 -2.409 1.00 0.00 O ATOM 730 CB ARG A 98 -6.248 9.604 -5.621 1.00 0.00 C ATOM 731 CG ARG A 98 -5.650 9.759 -7.024 1.00 0.00 C ATOM 732 CD ARG A 98 -6.751 9.624 -8.079 1.00 0.00 C ATOM 733 NE ARG A 98 -6.421 10.482 -9.253 1.00 0.00 N ATOM 734 CZ ARG A 98 -7.002 11.641 -9.401 1.00 0.00 C ATOM 735 NH1 ARG A 98 -8.257 11.790 -9.082 1.00 0.00 N ATOM 736 NH2 ARG A 98 -6.325 12.653 -9.872 1.00 0.00 N ATOM 0 H ARG A 98 -6.989 7.504 -4.428 1.00 0.00 H new ATOM 0 HA ARG A 98 -4.414 8.515 -5.338 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.223 9.121 -5.680 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.404 10.584 -5.169 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.164 10.730 -7.116 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -4.883 9.002 -7.187 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -6.846 8.584 -8.390 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.712 9.919 -7.658 1.00 0.00 H new ATOM 0 HE ARG A 98 -5.740 10.162 -9.942 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -8.787 11.000 -8.716 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -8.709 12.697 -9.199 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -5.343 12.537 -10.124 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -6.778 13.560 -9.988 1.00 0.00 H new ATOM 737 N LEU A 99 -4.331 10.740 -3.724 1.00 0.00 N ATOM 738 CA LEU A 99 -3.931 11.566 -2.550 1.00 0.00 C ATOM 739 C LEU A 99 -3.612 12.995 -2.994 1.00 0.00 C ATOM 740 O LEU A 99 -2.711 13.628 -2.478 1.00 0.00 O ATOM 741 CB LEU A 99 -2.702 10.945 -1.890 1.00 0.00 C ATOM 742 CG LEU A 99 -1.507 11.092 -2.823 1.00 0.00 C ATOM 743 CD1 LEU A 99 -0.251 10.555 -2.134 1.00 0.00 C ATOM 744 CD2 LEU A 99 -1.771 10.305 -4.110 1.00 0.00 C ATOM 0 H LEU A 99 -4.119 11.143 -4.637 1.00 0.00 H new ATOM 0 HA LEU A 99 -4.754 11.596 -1.836 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.498 11.435 -0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.883 9.892 -1.674 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.358 12.144 -3.066 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.604 10.660 -2.802 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -0.068 11.119 -1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.392 9.502 -1.889 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.918 10.408 -4.781 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.919 9.252 -3.869 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -2.665 10.694 -4.598 1.00 0.00 H new ATOM 745 N LYS A 100 -4.347 13.516 -3.938 1.00 0.00 N ATOM 746 CA LYS A 100 -4.083 14.907 -4.400 1.00 0.00 C ATOM 747 C LYS A 100 -5.184 15.833 -3.878 1.00 0.00 C ATOM 748 O LYS A 100 -5.273 16.980 -4.266 1.00 0.00 O ATOM 749 CB LYS A 100 -4.073 14.950 -5.929 1.00 0.00 C ATOM 750 CG LYS A 100 -3.183 13.828 -6.468 1.00 0.00 C ATOM 751 CD LYS A 100 -3.878 13.157 -7.653 1.00 0.00 C ATOM 752 CE LYS A 100 -3.789 14.067 -8.878 1.00 0.00 C ATOM 753 NZ LYS A 100 -5.046 14.858 -9.003 1.00 0.00 N ATOM 0 H LYS A 100 -5.117 13.040 -4.408 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.115 15.234 -4.021 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.087 14.839 -6.313 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.706 15.917 -6.273 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.218 14.230 -6.778 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.987 13.096 -5.685 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.410 12.196 -7.866 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.922 12.957 -7.410 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -2.934 14.736 -8.786 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -3.631 13.470 -9.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.420 14.766 -9.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.749 14.502 -8.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -4.848 15.859 -8.803 1.00 0.00 H new ATOM 754 N LYS A 101 -6.032 15.336 -3.012 1.00 0.00 N ATOM 755 CA LYS A 101 -7.136 16.185 -2.478 1.00 0.00 C ATOM 756 C LYS A 101 -8.258 16.227 -3.512 1.00 0.00 C ATOM 757 O LYS A 101 -9.250 15.540 -3.382 1.00 0.00 O ATOM 758 CB LYS A 101 -6.624 17.602 -2.201 1.00 0.00 C ATOM 759 CG LYS A 101 -7.035 18.025 -0.788 1.00 0.00 C ATOM 760 CD LYS A 101 -6.043 17.451 0.226 1.00 0.00 C ATOM 761 CE LYS A 101 -5.116 18.562 0.722 1.00 0.00 C ATOM 762 NZ LYS A 101 -4.234 18.030 1.799 1.00 0.00 N ATOM 0 H LYS A 101 -6.006 14.381 -2.654 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.507 15.766 -1.543 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.539 17.634 -2.301 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.032 18.298 -2.934 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -7.058 19.112 -0.715 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.042 17.669 -0.569 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -6.580 17.010 1.066 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -5.459 16.654 -0.233 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -4.512 18.942 -0.102 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -5.704 19.399 1.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -3.604 18.785 2.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -4.818 17.688 2.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -3.664 17.245 1.425 1.00 0.00 H new ATOM 763 N TYR A 102 -8.102 17.000 -4.557 1.00 0.00 N ATOM 764 CA TYR A 102 -9.162 17.033 -5.604 1.00 0.00 C ATOM 765 C TYR A 102 -9.518 15.586 -5.922 1.00 0.00 C ATOM 766 O TYR A 102 -10.639 15.257 -6.259 1.00 0.00 O ATOM 767 CB TYR A 102 -8.627 17.722 -6.865 1.00 0.00 C ATOM 768 CG TYR A 102 -9.522 17.407 -8.044 1.00 0.00 C ATOM 769 CD1 TYR A 102 -9.459 16.150 -8.661 1.00 0.00 C ATOM 770 CD2 TYR A 102 -10.416 18.375 -8.520 1.00 0.00 C ATOM 771 CE1 TYR A 102 -10.287 15.863 -9.752 1.00 0.00 C ATOM 772 CE2 TYR A 102 -11.244 18.086 -9.613 1.00 0.00 C ATOM 773 CZ TYR A 102 -11.180 16.831 -10.227 1.00 0.00 C ATOM 774 OH TYR A 102 -11.995 16.547 -11.304 1.00 0.00 O ATOM 0 H TYR A 102 -7.296 17.602 -4.728 1.00 0.00 H new ATOM 0 HA TYR A 102 -10.035 17.585 -5.257 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -8.582 18.800 -6.709 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -7.610 17.387 -7.069 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -8.771 15.403 -8.294 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -10.467 19.343 -8.045 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -10.237 14.895 -10.228 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -11.932 18.833 -9.981 1.00 0.00 H new ATOM 0 HH TYR A 102 -12.555 17.326 -11.505 1.00 0.00 H new ATOM 775 N ALA A 103 -8.554 14.720 -5.787 1.00 0.00 N ATOM 776 CA ALA A 103 -8.785 13.281 -6.042 1.00 0.00 C ATOM 777 C ALA A 103 -9.053 12.599 -4.701 1.00 0.00 C ATOM 778 O ALA A 103 -9.630 13.182 -3.805 1.00 0.00 O ATOM 779 CB ALA A 103 -7.531 12.683 -6.684 1.00 0.00 C ATOM 0 H ALA A 103 -7.603 14.957 -5.506 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.634 13.137 -6.711 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.691 11.622 -6.876 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.324 13.195 -7.624 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.683 12.806 -6.010 1.00 0.00 H new ATOM 780 N PHE A 104 -8.626 11.381 -4.549 1.00 0.00 N ATOM 781 CA PHE A 104 -8.841 10.676 -3.257 1.00 0.00 C ATOM 782 C PHE A 104 -10.309 10.251 -3.136 1.00 0.00 C ATOM 783 O PHE A 104 -11.148 10.661 -3.911 1.00 0.00 O ATOM 784 CB PHE A 104 -8.509 11.619 -2.102 1.00 0.00 C ATOM 785 CG PHE A 104 -7.476 10.991 -1.197 1.00 0.00 C ATOM 786 CD1 PHE A 104 -7.406 9.597 -1.059 1.00 0.00 C ATOM 787 CD2 PHE A 104 -6.577 11.808 -0.504 1.00 0.00 C ATOM 788 CE1 PHE A 104 -6.436 9.026 -0.230 1.00 0.00 C ATOM 789 CE2 PHE A 104 -5.605 11.234 0.321 1.00 0.00 C ATOM 790 CZ PHE A 104 -5.535 9.844 0.457 1.00 0.00 C ATOM 0 H PHE A 104 -8.137 10.841 -5.263 1.00 0.00 H new ATOM 0 HA PHE A 104 -8.198 9.797 -3.221 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -8.134 12.566 -2.492 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -9.412 11.843 -1.535 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -8.101 8.965 -1.593 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.634 12.882 -0.606 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -6.383 7.953 -0.120 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -4.908 11.864 0.853 1.00 0.00 H new ATOM 0 HZ PHE A 104 -4.783 9.402 1.094 1.00 0.00 H new ATOM 791 N ASP A 105 -10.628 9.446 -2.160 1.00 0.00 N ATOM 792 CA ASP A 105 -12.041 9.009 -1.978 1.00 0.00 C ATOM 793 C ASP A 105 -12.380 7.937 -3.012 1.00 0.00 C ATOM 794 O ASP A 105 -13.503 7.485 -3.105 1.00 0.00 O ATOM 795 CB ASP A 105 -12.980 10.205 -2.157 1.00 0.00 C ATOM 796 CG ASP A 105 -12.377 11.438 -1.477 1.00 0.00 C ATOM 797 OD1 ASP A 105 -12.411 11.494 -0.260 1.00 0.00 O ATOM 798 OD2 ASP A 105 -11.893 12.304 -2.188 1.00 0.00 O ATOM 0 H ASP A 105 -9.968 9.071 -1.478 1.00 0.00 H new ATOM 0 HA ASP A 105 -12.165 8.601 -0.975 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -13.136 10.402 -3.218 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -13.956 9.981 -1.727 1.00 0.00 H new ATOM 799 N TYR A 106 -11.418 7.519 -3.785 1.00 0.00 N ATOM 800 CA TYR A 106 -11.697 6.468 -4.803 1.00 0.00 C ATOM 801 C TYR A 106 -10.827 5.245 -4.527 1.00 0.00 C ATOM 802 O TYR A 106 -10.390 5.015 -3.419 1.00 0.00 O ATOM 803 CB TYR A 106 -11.386 6.984 -6.212 1.00 0.00 C ATOM 804 CG TYR A 106 -11.462 8.490 -6.252 1.00 0.00 C ATOM 805 CD1 TYR A 106 -12.681 9.138 -6.030 1.00 0.00 C ATOM 806 CD2 TYR A 106 -10.310 9.233 -6.523 1.00 0.00 C ATOM 807 CE1 TYR A 106 -12.747 10.536 -6.078 1.00 0.00 C ATOM 808 CE2 TYR A 106 -10.374 10.627 -6.573 1.00 0.00 C ATOM 809 CZ TYR A 106 -11.594 11.281 -6.350 1.00 0.00 C ATOM 810 OH TYR A 106 -11.658 12.660 -6.398 1.00 0.00 O ATOM 0 H TYR A 106 -10.456 7.857 -3.757 1.00 0.00 H new ATOM 0 HA TYR A 106 -12.753 6.203 -4.742 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -10.391 6.656 -6.514 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -12.092 6.559 -6.925 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -13.570 8.561 -5.822 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.370 8.729 -6.694 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -13.687 11.039 -5.905 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.484 11.201 -6.783 1.00 0.00 H new ATOM 0 HH TYR A 106 -12.363 12.976 -5.795 1.00 0.00 H new ATOM 811 N TRP A 107 -10.578 4.465 -5.540 1.00 0.00 N ATOM 812 CA TRP A 107 -9.740 3.247 -5.372 1.00 0.00 C ATOM 813 C TRP A 107 -10.262 2.428 -4.195 1.00 0.00 C ATOM 814 O TRP A 107 -10.044 2.768 -3.049 1.00 0.00 O ATOM 815 CB TRP A 107 -8.300 3.652 -5.103 1.00 0.00 C ATOM 816 CG TRP A 107 -7.893 4.737 -6.048 1.00 0.00 C ATOM 817 CD1 TRP A 107 -8.040 6.054 -5.805 1.00 0.00 C ATOM 818 CD2 TRP A 107 -7.277 4.629 -7.368 1.00 0.00 C ATOM 819 NE1 TRP A 107 -7.540 6.768 -6.872 1.00 0.00 N ATOM 820 CE2 TRP A 107 -7.064 5.934 -7.871 1.00 0.00 C ATOM 821 CE3 TRP A 107 -6.882 3.541 -8.170 1.00 0.00 C ATOM 822 CZ2 TRP A 107 -6.479 6.145 -9.125 1.00 0.00 C ATOM 823 CZ3 TRP A 107 -6.295 3.756 -9.425 1.00 0.00 C ATOM 824 CH2 TRP A 107 -6.096 5.054 -9.901 1.00 0.00 C ATOM 0 H TRP A 107 -10.923 4.621 -6.487 1.00 0.00 H new ATOM 0 HA TRP A 107 -9.786 2.649 -6.282 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -8.196 3.996 -4.074 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -7.643 2.790 -5.220 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -8.479 6.482 -4.916 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -7.522 7.787 -6.921 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -7.033 2.532 -7.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -6.325 7.150 -9.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -5.995 2.912 -10.028 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -5.646 5.211 -10.870 1.00 0.00 H new ATOM 825 N GLY A 108 -10.957 1.353 -4.451 1.00 0.00 N ATOM 826 CA GLY A 108 -11.482 0.552 -3.316 1.00 0.00 C ATOM 827 C GLY A 108 -11.816 -0.879 -3.754 1.00 0.00 C ATOM 828 O GLY A 108 -12.603 -1.554 -3.122 1.00 0.00 O ATOM 0 H GLY A 108 -11.180 1.001 -5.382 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -10.745 0.527 -2.514 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -12.375 1.029 -2.913 1.00 0.00 H new ATOM 829 N GLN A 109 -11.231 -1.359 -4.819 1.00 0.00 N ATOM 830 CA GLN A 109 -11.540 -2.752 -5.257 1.00 0.00 C ATOM 831 C GLN A 109 -10.577 -3.730 -4.579 1.00 0.00 C ATOM 832 O GLN A 109 -10.768 -4.929 -4.613 1.00 0.00 O ATOM 833 CB GLN A 109 -11.402 -2.867 -6.778 1.00 0.00 C ATOM 834 CG GLN A 109 -12.073 -4.156 -7.256 1.00 0.00 C ATOM 835 CD GLN A 109 -11.044 -5.029 -7.978 1.00 0.00 C ATOM 836 OE1 GLN A 109 -9.864 -4.956 -7.698 1.00 0.00 O ATOM 837 NE2 GLN A 109 -11.443 -5.857 -8.905 1.00 0.00 N ATOM 0 H GLN A 109 -10.560 -0.854 -5.399 1.00 0.00 H new ATOM 0 HA GLN A 109 -12.564 -2.995 -4.973 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -11.861 -2.005 -7.262 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -10.349 -2.867 -7.059 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -12.493 -4.696 -6.408 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -12.900 -3.921 -7.926 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -12.433 -5.919 -9.141 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -10.764 -6.442 -9.393 1.00 0.00 H new ATOM 838 N GLY A 110 -9.551 -3.226 -3.952 1.00 0.00 N ATOM 839 CA GLY A 110 -8.581 -4.120 -3.258 1.00 0.00 C ATOM 840 C GLY A 110 -7.910 -5.064 -4.263 1.00 0.00 C ATOM 841 O GLY A 110 -8.437 -5.344 -5.322 1.00 0.00 O ATOM 0 H GLY A 110 -9.341 -2.230 -3.890 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -7.824 -3.522 -2.750 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -9.095 -4.700 -2.492 1.00 0.00 H new ATOM 842 N THR A 111 -6.755 -5.568 -3.920 1.00 0.00 N ATOM 843 CA THR A 111 -6.030 -6.507 -4.809 1.00 0.00 C ATOM 844 C THR A 111 -5.061 -7.264 -3.914 1.00 0.00 C ATOM 845 O THR A 111 -5.365 -7.503 -2.763 1.00 0.00 O ATOM 846 CB THR A 111 -5.278 -5.736 -5.895 1.00 0.00 C ATOM 847 OG1 THR A 111 -4.777 -6.648 -6.864 1.00 0.00 O ATOM 848 CG2 THR A 111 -4.119 -4.966 -5.272 1.00 0.00 C ATOM 0 H THR A 111 -6.278 -5.361 -3.042 1.00 0.00 H new ATOM 0 HA THR A 111 -6.711 -7.188 -5.318 1.00 0.00 H new ATOM 0 HB THR A 111 -5.959 -5.033 -6.375 1.00 0.00 H new ATOM 0 HG1 THR A 111 -4.297 -6.154 -7.561 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.586 -4.418 -6.049 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.504 -4.264 -4.533 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.437 -5.665 -4.788 1.00 0.00 H new ATOM 849 N LEU A 112 -3.905 -7.644 -4.375 1.00 0.00 N ATOM 850 CA LEU A 112 -3.015 -8.371 -3.440 1.00 0.00 C ATOM 851 C LEU A 112 -1.665 -8.722 -4.059 1.00 0.00 C ATOM 852 O LEU A 112 -1.216 -8.148 -5.030 1.00 0.00 O ATOM 853 CB LEU A 112 -3.718 -9.663 -3.050 1.00 0.00 C ATOM 854 CG LEU A 112 -3.693 -10.577 -4.258 1.00 0.00 C ATOM 855 CD1 LEU A 112 -2.713 -11.721 -3.995 1.00 0.00 C ATOM 856 CD2 LEU A 112 -5.097 -11.131 -4.505 1.00 0.00 C ATOM 0 H LEU A 112 -3.550 -7.491 -5.319 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.820 -7.725 -2.584 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -3.216 -10.132 -2.204 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -4.744 -9.463 -2.741 1.00 0.00 H new ATOM 0 HG LEU A 112 -3.372 -10.023 -5.140 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -2.688 -12.385 -4.859 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -1.717 -11.314 -3.821 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -3.035 -12.281 -3.117 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.081 -11.789 -5.374 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.426 -11.693 -3.631 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.787 -10.307 -4.687 1.00 0.00 H new ATOM 857 N VAL A 113 -1.033 -9.684 -3.452 1.00 0.00 N ATOM 858 CA VAL A 113 0.299 -10.169 -3.892 1.00 0.00 C ATOM 859 C VAL A 113 0.360 -11.657 -3.564 1.00 0.00 C ATOM 860 O VAL A 113 0.287 -12.040 -2.410 1.00 0.00 O ATOM 861 CB VAL A 113 1.392 -9.439 -3.101 1.00 0.00 C ATOM 862 CG1 VAL A 113 2.081 -8.413 -3.994 1.00 0.00 C ATOM 863 CG2 VAL A 113 0.756 -8.725 -1.908 1.00 0.00 C ATOM 0 H VAL A 113 -1.402 -10.172 -2.636 1.00 0.00 H new ATOM 0 HA VAL A 113 0.449 -9.990 -4.957 1.00 0.00 H new ATOM 0 HB VAL A 113 2.129 -10.162 -2.751 1.00 0.00 H new ATOM 0 HG11 VAL A 113 2.856 -7.898 -3.426 1.00 0.00 H new ATOM 0 HG12 VAL A 113 2.532 -8.918 -4.848 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.348 -7.688 -4.347 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.528 -8.204 -1.342 1.00 0.00 H new ATOM 0 HG22 VAL A 113 0.020 -8.005 -2.265 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.266 -9.456 -1.265 1.00 0.00 H new ATOM 864 N THR A 114 0.466 -12.498 -4.554 1.00 0.00 N ATOM 865 CA THR A 114 0.506 -13.960 -4.282 1.00 0.00 C ATOM 866 C THR A 114 1.934 -14.391 -3.951 1.00 0.00 C ATOM 867 O THR A 114 2.499 -15.261 -4.583 1.00 0.00 O ATOM 868 CB THR A 114 0.007 -14.724 -5.505 1.00 0.00 C ATOM 869 OG1 THR A 114 -0.297 -13.804 -6.544 1.00 0.00 O ATOM 870 CG2 THR A 114 -1.247 -15.503 -5.121 1.00 0.00 C ATOM 0 H THR A 114 0.527 -12.236 -5.538 1.00 0.00 H new ATOM 0 HA THR A 114 -0.138 -14.182 -3.431 1.00 0.00 H new ATOM 0 HB THR A 114 0.775 -15.415 -5.854 1.00 0.00 H new ATOM 0 HG1 THR A 114 0.516 -13.321 -6.801 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.613 -16.053 -5.988 1.00 0.00 H new ATOM 0 HG22 THR A 114 -1.009 -16.203 -4.320 1.00 0.00 H new ATOM 0 HG23 THR A 114 -2.016 -14.810 -4.780 1.00 0.00 H new ATOM 871 N VAL A 115 2.512 -13.792 -2.952 1.00 0.00 N ATOM 872 CA VAL A 115 3.892 -14.152 -2.547 1.00 0.00 C ATOM 873 C VAL A 115 3.998 -15.674 -2.452 1.00 0.00 C ATOM 874 O VAL A 115 3.341 -16.307 -1.646 1.00 0.00 O ATOM 875 CB VAL A 115 4.161 -13.480 -1.204 1.00 0.00 C ATOM 876 CG1 VAL A 115 3.564 -14.301 -0.059 1.00 0.00 C ATOM 877 CG2 VAL A 115 5.663 -13.304 -0.989 1.00 0.00 C ATOM 0 H VAL A 115 2.079 -13.058 -2.392 1.00 0.00 H new ATOM 0 HA VAL A 115 4.633 -13.814 -3.271 1.00 0.00 H new ATOM 0 HB VAL A 115 3.686 -12.499 -1.214 1.00 0.00 H new ATOM 0 HG11 VAL A 115 3.767 -13.804 0.890 1.00 0.00 H new ATOM 0 HG12 VAL A 115 2.487 -14.390 -0.198 1.00 0.00 H new ATOM 0 HG13 VAL A 115 4.012 -15.295 -0.051 1.00 0.00 H new ATOM 0 HG21 VAL A 115 5.839 -12.823 -0.027 1.00 0.00 H new ATOM 0 HG22 VAL A 115 6.149 -14.280 -1.002 1.00 0.00 H new ATOM 0 HG23 VAL A 115 6.074 -12.683 -1.785 1.00 0.00 H new ATOM 878 N SER A 116 4.796 -16.271 -3.292 1.00 0.00 N ATOM 879 CA SER A 116 4.913 -17.753 -3.266 1.00 0.00 C ATOM 880 C SER A 116 5.657 -18.233 -4.513 1.00 0.00 C ATOM 881 O SER A 116 5.748 -17.533 -5.502 1.00 0.00 O ATOM 882 CB SER A 116 3.509 -18.346 -3.256 1.00 0.00 C ATOM 883 OG SER A 116 3.342 -19.144 -2.091 1.00 0.00 O ATOM 0 H SER A 116 5.369 -15.799 -3.991 1.00 0.00 H new ATOM 0 HA SER A 116 5.464 -18.068 -2.380 1.00 0.00 H new ATOM 0 HB2 SER A 116 2.766 -17.549 -3.274 1.00 0.00 H new ATOM 0 HB3 SER A 116 3.351 -18.950 -4.150 1.00 0.00 H new ATOM 0 HG SER A 116 3.254 -18.563 -1.307 1.00 0.00 H new ATOM 884 N SER A 117 6.184 -19.426 -4.475 1.00 0.00 N ATOM 885 CA SER A 117 6.915 -19.955 -5.661 1.00 0.00 C ATOM 886 C SER A 117 5.918 -20.242 -6.784 1.00 0.00 C ATOM 887 O SER A 117 5.099 -21.130 -6.611 1.00 0.00 O ATOM 888 CB SER A 117 7.638 -21.246 -5.275 1.00 0.00 C ATOM 889 OG SER A 117 8.968 -20.939 -4.879 1.00 0.00 O ATOM 890 OXT SER A 117 5.988 -19.568 -7.798 1.00 0.00 O ATOM 0 H SER A 117 6.140 -20.057 -3.675 1.00 0.00 H new ATOM 0 HA SER A 117 7.643 -19.219 -6.002 1.00 0.00 H new ATOM 0 HB2 SER A 117 7.110 -21.743 -4.461 1.00 0.00 H new ATOM 0 HB3 SER A 117 7.648 -21.937 -6.118 1.00 0.00 H new ATOM 0 HG SER A 117 9.434 -21.764 -4.629 1.00 0.00 H new TER 891 SER A 117