USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 740 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 122 GLN :FLIP amide:sc= -0.367 F(o=-1.1,f=0.84) USER MOD Set 1.2: A 126 SER OG : rot -135:sc= 1.21 USER MOD Set 2.1: A 65 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 87 MET CE :methyl 170:sc= -4.04! (180deg=-4.24!) USER MOD Set 3.1: A 46 SER OG : rot 115:sc= 1.38 USER MOD Set 3.2: A 48 THR OG1 : rot 180:sc= 0.358 USER MOD Set 3.3: A 49 SER OG : rot 95:sc= 1.16 USER MOD Single : A 31 SER OG : rot 24:sc= 0.0134 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 7:sc= 0.163 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN :FLIP amide:sc= -4.24 F(o=-8.4!,f=-4.2) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.11) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= -0.0397 USER MOD Single : A 68 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-3.3!) USER MOD Single : A 69 TYR OH : rot 165:sc= -0.252 USER MOD Single : A 73 SER OG : rot -47:sc= 0.0468 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.468 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0816 USER MOD Single : A 91 HIS : no HD1:sc= -1.68 X(o=-1.7,f=-1.2) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN :FLIP amide:sc= -2.33 F(o=-4.7!,f=-2.3) USER MOD Single : A 105 GLN : amide:sc= -2.01 K(o=-2,f=-5.1!) USER MOD Single : A 108 MET CE :methyl -160:sc= -3.78 (180deg=-5.08!) USER MOD Single : A 110 HIS :FLIP no HD1:sc= -4.57! C(o=-6.2!,f=-4.6!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 49:sc= 0.33 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 30 -13.999 35.252 -2.020 1.00 0.00 N ATOM 2 CA GLY A 30 -13.295 34.024 -2.342 1.00 0.00 C ATOM 3 C GLY A 30 -11.965 33.913 -1.623 1.00 0.00 C ATOM 4 O GLY A 30 -11.606 34.784 -0.831 1.00 0.00 O ATOM 0 HA2 GLY A 30 -13.920 33.171 -2.078 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -13.128 33.976 -3.418 1.00 0.00 H new ATOM 8 N SER A 31 -11.233 32.838 -1.899 1.00 0.00 N ATOM 9 CA SER A 31 -9.938 32.614 -1.268 1.00 0.00 C ATOM 10 C SER A 31 -8.848 32.424 -2.319 1.00 0.00 C ATOM 11 O SER A 31 -9.036 31.707 -3.302 1.00 0.00 O ATOM 12 CB SER A 31 -9.997 31.390 -0.353 1.00 0.00 C ATOM 13 OG SER A 31 -10.210 30.204 -1.099 1.00 0.00 O ATOM 0 H SER A 31 -11.515 32.109 -2.555 1.00 0.00 H new ATOM 0 HA SER A 31 -9.696 33.493 -0.671 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.067 31.307 0.209 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.799 31.514 0.375 1.00 0.00 H new ATOM 0 HG SER A 31 -9.900 30.336 -2.019 1.00 0.00 H new ATOM 19 N SER A 32 -7.708 33.073 -2.104 1.00 0.00 N ATOM 20 CA SER A 32 -6.588 32.979 -3.033 1.00 0.00 C ATOM 21 C SER A 32 -5.565 31.956 -2.551 1.00 0.00 C ATOM 22 O SER A 32 -4.358 32.184 -2.625 1.00 0.00 O ATOM 23 CB SER A 32 -5.920 34.346 -3.199 1.00 0.00 C ATOM 24 OG SER A 32 -6.749 35.233 -3.929 1.00 0.00 O ATOM 0 H SER A 32 -7.536 33.669 -1.295 1.00 0.00 H new ATOM 0 HA SER A 32 -6.975 32.651 -3.998 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.703 34.770 -2.218 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.966 34.228 -3.713 1.00 0.00 H new ATOM 0 HG SER A 32 -6.301 36.100 -4.020 1.00 0.00 H new ATOM 30 N GLY A 33 -6.057 30.824 -2.055 1.00 0.00 N ATOM 31 CA GLY A 33 -5.174 29.782 -1.567 1.00 0.00 C ATOM 32 C GLY A 33 -4.924 28.702 -2.601 1.00 0.00 C ATOM 33 O GLY A 33 -5.413 28.787 -3.727 1.00 0.00 O ATOM 0 H GLY A 33 -7.052 30.611 -1.983 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.223 30.225 -1.272 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.607 29.332 -0.674 1.00 0.00 H new ATOM 37 N SER A 34 -4.159 27.684 -2.219 1.00 0.00 N ATOM 38 CA SER A 34 -3.840 26.586 -3.124 1.00 0.00 C ATOM 39 C SER A 34 -3.699 25.275 -2.357 1.00 0.00 C ATOM 40 O SER A 34 -3.449 25.271 -1.152 1.00 0.00 O ATOM 41 CB SER A 34 -2.549 26.885 -3.888 1.00 0.00 C ATOM 42 OG SER A 34 -2.767 27.857 -4.896 1.00 0.00 O ATOM 0 H SER A 34 -3.749 27.597 -1.289 1.00 0.00 H new ATOM 0 HA SER A 34 -4.659 26.484 -3.836 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.786 27.240 -3.195 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.169 25.968 -4.338 1.00 0.00 H new ATOM 0 HG SER A 34 -3.674 28.218 -4.812 1.00 0.00 H new ATOM 48 N SER A 35 -3.861 24.162 -3.066 1.00 0.00 N ATOM 49 CA SER A 35 -3.755 22.843 -2.453 1.00 0.00 C ATOM 50 C SER A 35 -2.301 22.506 -2.136 1.00 0.00 C ATOM 51 O SER A 35 -1.383 22.985 -2.799 1.00 0.00 O ATOM 52 CB SER A 35 -4.347 21.778 -3.378 1.00 0.00 C ATOM 53 OG SER A 35 -5.713 22.041 -3.650 1.00 0.00 O ATOM 0 H SER A 35 -4.066 24.148 -4.065 1.00 0.00 H new ATOM 0 HA SER A 35 -4.318 22.857 -1.520 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.786 21.750 -4.312 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.247 20.795 -2.917 1.00 0.00 H new ATOM 0 HG SER A 35 -6.068 21.347 -4.244 1.00 0.00 H new ATOM 59 N GLY A 36 -2.101 21.676 -1.116 1.00 0.00 N ATOM 60 CA GLY A 36 -0.758 21.288 -0.728 1.00 0.00 C ATOM 61 C GLY A 36 -0.749 20.146 0.268 1.00 0.00 C ATOM 62 O GLY A 36 -0.123 20.237 1.323 1.00 0.00 O ATOM 0 H GLY A 36 -2.845 21.266 -0.552 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.197 20.996 -1.616 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.246 22.147 -0.295 1.00 0.00 H new ATOM 66 N SER A 37 -1.448 19.066 -0.068 1.00 0.00 N ATOM 67 CA SER A 37 -1.523 17.902 0.808 1.00 0.00 C ATOM 68 C SER A 37 -0.693 16.749 0.251 1.00 0.00 C ATOM 69 O SER A 37 0.250 16.283 0.889 1.00 0.00 O ATOM 70 CB SER A 37 -2.978 17.461 0.982 1.00 0.00 C ATOM 71 OG SER A 37 -3.071 16.337 1.840 1.00 0.00 O ATOM 0 H SER A 37 -1.970 18.973 -0.939 1.00 0.00 H new ATOM 0 HA SER A 37 -1.117 18.183 1.780 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.564 18.284 1.391 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.406 17.217 0.010 1.00 0.00 H new ATOM 0 HG SER A 37 -4.011 16.076 1.936 1.00 0.00 H new ATOM 77 N GLY A 38 -1.053 16.293 -0.946 1.00 0.00 N ATOM 78 CA GLY A 38 -0.333 15.198 -1.569 1.00 0.00 C ATOM 79 C GLY A 38 0.042 14.112 -0.581 1.00 0.00 C ATOM 80 O GLY A 38 1.126 13.535 -0.663 1.00 0.00 O ATOM 0 H GLY A 38 -1.830 16.662 -1.494 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.947 14.768 -2.361 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.571 15.584 -2.040 1.00 0.00 H new ATOM 84 N ARG A 39 -0.857 13.834 0.358 1.00 0.00 N ATOM 85 CA ARG A 39 -0.614 12.812 1.369 1.00 0.00 C ATOM 86 C ARG A 39 -1.655 11.700 1.280 1.00 0.00 C ATOM 87 O ARG A 39 -2.831 11.956 1.018 1.00 0.00 O ATOM 88 CB ARG A 39 -0.633 13.432 2.767 1.00 0.00 C ATOM 89 CG ARG A 39 0.051 12.578 3.822 1.00 0.00 C ATOM 90 CD ARG A 39 1.558 12.785 3.815 1.00 0.00 C ATOM 91 NE ARG A 39 2.240 11.871 4.727 1.00 0.00 N ATOM 92 CZ ARG A 39 2.371 12.095 6.030 1.00 0.00 C ATOM 93 NH1 ARG A 39 1.869 13.196 6.571 1.00 0.00 N ATOM 94 NH2 ARG A 39 3.005 11.215 6.795 1.00 0.00 N ATOM 0 H ARG A 39 -1.760 14.302 0.439 1.00 0.00 H new ATOM 0 HA ARG A 39 0.370 12.381 1.184 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.147 14.407 2.729 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.667 13.603 3.065 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.347 12.826 4.806 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.174 11.527 3.643 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.939 12.640 2.804 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.784 13.814 4.096 1.00 0.00 H new ATOM 0 HE ARG A 39 2.637 11.014 4.343 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.380 13.874 5.987 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.971 13.365 7.572 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.392 10.366 6.383 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.105 11.388 7.795 1.00 0.00 H new ATOM 108 N LEU A 40 -1.216 10.466 1.498 1.00 0.00 N ATOM 109 CA LEU A 40 -2.109 9.314 1.442 1.00 0.00 C ATOM 110 C LEU A 40 -1.673 8.238 2.431 1.00 0.00 C ATOM 111 O LEU A 40 -0.480 8.017 2.638 1.00 0.00 O ATOM 112 CB LEU A 40 -2.143 8.739 0.025 1.00 0.00 C ATOM 113 CG LEU A 40 -2.894 9.567 -1.018 1.00 0.00 C ATOM 114 CD1 LEU A 40 -2.592 9.060 -2.420 1.00 0.00 C ATOM 115 CD2 LEU A 40 -4.391 9.534 -0.748 1.00 0.00 C ATOM 0 H LEU A 40 -0.246 10.237 1.715 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.110 9.647 1.716 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.116 8.606 -0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.595 7.748 0.067 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.555 10.600 -0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.135 9.661 -3.149 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.522 9.136 -2.612 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.902 8.019 -2.505 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.910 10.129 -1.500 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.746 8.504 -0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.591 9.945 0.241 1.00 0.00 H new ATOM 127 N PHE A 41 -2.648 7.568 3.037 1.00 0.00 N ATOM 128 CA PHE A 41 -2.364 6.513 4.003 1.00 0.00 C ATOM 129 C PHE A 41 -2.557 5.135 3.376 1.00 0.00 C ATOM 130 O PHE A 41 -3.580 4.865 2.746 1.00 0.00 O ATOM 131 CB PHE A 41 -3.268 6.658 5.229 1.00 0.00 C ATOM 132 CG PHE A 41 -3.007 5.630 6.292 1.00 0.00 C ATOM 133 CD1 PHE A 41 -1.711 5.257 6.610 1.00 0.00 C ATOM 134 CD2 PHE A 41 -4.057 5.037 6.974 1.00 0.00 C ATOM 135 CE1 PHE A 41 -1.466 4.312 7.588 1.00 0.00 C ATOM 136 CE2 PHE A 41 -3.819 4.091 7.953 1.00 0.00 C ATOM 137 CZ PHE A 41 -2.522 3.727 8.260 1.00 0.00 C ATOM 0 H PHE A 41 -3.641 7.737 2.876 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.324 6.610 4.313 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.132 7.652 5.655 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -4.309 6.586 4.913 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.882 5.710 6.087 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.073 5.317 6.738 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.451 4.031 7.827 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.646 3.637 8.478 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.334 2.987 9.024 1.00 0.00 H new ATOM 147 N VAL A 42 -1.566 4.267 3.553 1.00 0.00 N ATOM 148 CA VAL A 42 -1.625 2.917 3.005 1.00 0.00 C ATOM 149 C VAL A 42 -1.217 1.883 4.048 1.00 0.00 C ATOM 150 O VAL A 42 -0.341 2.134 4.876 1.00 0.00 O ATOM 151 CB VAL A 42 -0.716 2.772 1.770 1.00 0.00 C ATOM 152 CG1 VAL A 42 -0.992 1.458 1.055 1.00 0.00 C ATOM 153 CG2 VAL A 42 -0.904 3.952 0.828 1.00 0.00 C ATOM 0 H VAL A 42 -0.713 4.475 4.072 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.659 2.741 2.708 1.00 0.00 H new ATOM 0 HB VAL A 42 0.322 2.765 2.103 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.341 1.373 0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.801 0.627 1.734 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.033 1.431 0.733 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.254 3.833 -0.039 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.943 3.994 0.500 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.650 4.876 1.347 1.00 0.00 H new ATOM 163 N ARG A 43 -1.857 0.720 4.002 1.00 0.00 N ATOM 164 CA ARG A 43 -1.561 -0.354 4.943 1.00 0.00 C ATOM 165 C ARG A 43 -1.649 -1.715 4.260 1.00 0.00 C ATOM 166 O ARG A 43 -1.954 -1.806 3.072 1.00 0.00 O ATOM 167 CB ARG A 43 -2.528 -0.302 6.128 1.00 0.00 C ATOM 168 CG ARG A 43 -3.991 -0.367 5.724 1.00 0.00 C ATOM 169 CD ARG A 43 -4.571 1.022 5.505 1.00 0.00 C ATOM 170 NE ARG A 43 -5.992 1.081 5.838 1.00 0.00 N ATOM 171 CZ ARG A 43 -6.451 1.322 7.061 1.00 0.00 C ATOM 172 NH1 ARG A 43 -5.605 1.525 8.062 1.00 0.00 N ATOM 173 NH2 ARG A 43 -7.758 1.359 7.285 1.00 0.00 N ATOM 0 H ARG A 43 -2.584 0.497 3.323 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.543 -0.215 5.307 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.309 -1.131 6.801 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.355 0.618 6.687 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.092 -0.953 4.810 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.561 -0.883 6.497 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.026 1.743 6.114 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.430 1.314 4.464 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.669 0.929 5.090 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.599 1.496 7.894 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.960 1.710 9.000 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.412 1.202 6.518 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.109 1.544 8.225 1.00 0.00 H new ATOM 187 N ASN A 44 -1.379 -2.771 5.021 1.00 0.00 N ATOM 188 CA ASN A 44 -1.426 -4.129 4.489 1.00 0.00 C ATOM 189 C ASN A 44 -0.314 -4.352 3.469 1.00 0.00 C ATOM 190 O ASN A 44 -0.560 -4.833 2.362 1.00 0.00 O ATOM 191 CB ASN A 44 -2.787 -4.399 3.844 1.00 0.00 C ATOM 192 CG ASN A 44 -3.187 -5.859 3.929 1.00 0.00 C ATOM 193 OD1 ASN A 44 -3.203 -6.535 2.786 1.00 0.00 O flip ATOM 194 ND2 ASN A 44 -3.479 -6.373 5.009 1.00 0.00 N flip ATOM 0 H ASN A 44 -1.126 -2.713 6.007 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.280 -4.823 5.317 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.546 -3.788 4.333 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.758 -4.093 2.798 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.453 -5.815 5.863 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.747 -7.356 5.050 1.00 0.00 H new ATOM 201 N LEU A 45 0.909 -4.000 3.849 1.00 0.00 N ATOM 202 CA LEU A 45 2.060 -4.163 2.968 1.00 0.00 C ATOM 203 C LEU A 45 2.714 -5.526 3.172 1.00 0.00 C ATOM 204 O LEU A 45 2.903 -5.971 4.304 1.00 0.00 O ATOM 205 CB LEU A 45 3.081 -3.052 3.220 1.00 0.00 C ATOM 206 CG LEU A 45 2.901 -1.775 2.399 1.00 0.00 C ATOM 207 CD1 LEU A 45 3.167 -2.046 0.926 1.00 0.00 C ATOM 208 CD2 LEU A 45 1.502 -1.209 2.594 1.00 0.00 C ATOM 0 H LEU A 45 1.129 -3.600 4.761 1.00 0.00 H new ATOM 0 HA LEU A 45 1.710 -4.100 1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.047 -2.788 4.277 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.077 -3.450 3.023 1.00 0.00 H new ATOM 0 HG LEU A 45 3.623 -1.036 2.748 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.034 -1.126 0.357 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.188 -2.406 0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.469 -2.801 0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.391 -0.300 2.002 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.764 -1.944 2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.347 -0.977 3.648 1.00 0.00 H new ATOM 220 N SER A 46 3.058 -6.183 2.069 1.00 0.00 N ATOM 221 CA SER A 46 3.690 -7.496 2.127 1.00 0.00 C ATOM 222 C SER A 46 5.142 -7.381 2.580 1.00 0.00 C ATOM 223 O SER A 46 5.938 -6.664 1.973 1.00 0.00 O ATOM 224 CB SER A 46 3.623 -8.178 0.759 1.00 0.00 C ATOM 225 OG SER A 46 4.524 -7.577 -0.155 1.00 0.00 O ATOM 0 H SER A 46 2.910 -5.828 1.124 1.00 0.00 H new ATOM 0 HA SER A 46 3.148 -8.101 2.854 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.860 -9.237 0.865 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.608 -8.116 0.368 1.00 0.00 H new ATOM 0 HG SER A 46 5.218 -8.223 -0.403 1.00 0.00 H new ATOM 231 N TYR A 47 5.479 -8.092 3.650 1.00 0.00 N ATOM 232 CA TYR A 47 6.834 -8.069 4.187 1.00 0.00 C ATOM 233 C TYR A 47 7.856 -8.402 3.104 1.00 0.00 C ATOM 234 O TYR A 47 9.039 -8.087 3.231 1.00 0.00 O ATOM 235 CB TYR A 47 6.963 -9.058 5.347 1.00 0.00 C ATOM 236 CG TYR A 47 5.691 -9.222 6.147 1.00 0.00 C ATOM 237 CD1 TYR A 47 5.244 -8.213 6.992 1.00 0.00 C ATOM 238 CD2 TYR A 47 4.935 -10.384 6.058 1.00 0.00 C ATOM 239 CE1 TYR A 47 4.082 -8.359 7.726 1.00 0.00 C ATOM 240 CE2 TYR A 47 3.772 -10.538 6.787 1.00 0.00 C ATOM 241 CZ TYR A 47 3.350 -9.522 7.620 1.00 0.00 C ATOM 242 OH TYR A 47 2.192 -9.670 8.348 1.00 0.00 O ATOM 0 H TYR A 47 4.832 -8.691 4.163 1.00 0.00 H new ATOM 0 HA TYR A 47 7.035 -7.062 4.553 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.263 -10.029 4.954 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.760 -8.724 6.012 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.814 -7.300 7.076 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.262 -11.181 5.407 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.749 -7.566 8.379 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.196 -11.448 6.706 1.00 0.00 H new ATOM 0 HH TYR A 47 1.796 -10.546 8.158 1.00 0.00 H new ATOM 252 N THR A 48 7.389 -9.042 2.036 1.00 0.00 N ATOM 253 CA THR A 48 8.259 -9.419 0.930 1.00 0.00 C ATOM 254 C THR A 48 8.668 -8.200 0.112 1.00 0.00 C ATOM 255 O THR A 48 9.784 -8.132 -0.403 1.00 0.00 O ATOM 256 CB THR A 48 7.576 -10.441 0.001 1.00 0.00 C ATOM 257 OG1 THR A 48 6.488 -9.821 -0.693 1.00 0.00 O ATOM 258 CG2 THR A 48 7.065 -11.635 0.793 1.00 0.00 C ATOM 0 H THR A 48 6.412 -9.310 1.914 1.00 0.00 H new ATOM 0 HA THR A 48 9.147 -9.874 1.368 1.00 0.00 H new ATOM 0 HB THR A 48 8.313 -10.793 -0.721 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.060 -10.477 -1.283 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.587 -12.343 0.116 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.900 -12.122 1.297 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.341 -11.297 1.535 1.00 0.00 H new ATOM 266 N SER A 49 7.759 -7.237 -0.003 1.00 0.00 N ATOM 267 CA SER A 49 8.025 -6.021 -0.762 1.00 0.00 C ATOM 268 C SER A 49 9.006 -5.120 -0.018 1.00 0.00 C ATOM 269 O SER A 49 9.118 -5.183 1.206 1.00 0.00 O ATOM 270 CB SER A 49 6.721 -5.264 -1.026 1.00 0.00 C ATOM 271 OG SER A 49 5.882 -5.988 -1.909 1.00 0.00 O ATOM 0 H SER A 49 6.832 -7.276 0.420 1.00 0.00 H new ATOM 0 HA SER A 49 8.471 -6.307 -1.715 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.200 -5.091 -0.084 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.944 -4.286 -1.451 1.00 0.00 H new ATOM 0 HG SER A 49 5.241 -6.517 -1.391 1.00 0.00 H new ATOM 277 N SER A 50 9.716 -4.283 -0.767 1.00 0.00 N ATOM 278 CA SER A 50 10.692 -3.372 -0.181 1.00 0.00 C ATOM 279 C SER A 50 10.339 -1.921 -0.496 1.00 0.00 C ATOM 280 O SER A 50 9.675 -1.636 -1.492 1.00 0.00 O ATOM 281 CB SER A 50 12.095 -3.691 -0.700 1.00 0.00 C ATOM 282 OG SER A 50 12.616 -4.854 -0.080 1.00 0.00 O ATOM 0 H SER A 50 9.634 -4.217 -1.782 1.00 0.00 H new ATOM 0 HA SER A 50 10.673 -3.506 0.901 1.00 0.00 H new ATOM 0 HB2 SER A 50 12.063 -3.834 -1.780 1.00 0.00 H new ATOM 0 HB3 SER A 50 12.757 -2.846 -0.510 1.00 0.00 H new ATOM 0 HG SER A 50 13.513 -5.037 -0.430 1.00 0.00 H new ATOM 288 N GLU A 51 10.788 -1.010 0.361 1.00 0.00 N ATOM 289 CA GLU A 51 10.519 0.411 0.175 1.00 0.00 C ATOM 290 C GLU A 51 10.579 0.787 -1.303 1.00 0.00 C ATOM 291 O GLU A 51 9.852 1.669 -1.759 1.00 0.00 O ATOM 292 CB GLU A 51 11.522 1.251 0.967 1.00 0.00 C ATOM 293 CG GLU A 51 11.145 2.720 1.064 1.00 0.00 C ATOM 294 CD GLU A 51 12.216 3.554 1.739 1.00 0.00 C ATOM 295 OE1 GLU A 51 13.135 4.021 1.034 1.00 0.00 O ATOM 296 OE2 GLU A 51 12.135 3.741 2.971 1.00 0.00 O ATOM 0 H GLU A 51 11.339 -1.230 1.190 1.00 0.00 H new ATOM 0 HA GLU A 51 9.514 0.615 0.544 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.612 0.841 1.973 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.503 1.167 0.499 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.962 3.111 0.063 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.212 2.816 1.619 1.00 0.00 H new ATOM 303 N GLU A 52 11.451 0.111 -2.045 1.00 0.00 N ATOM 304 CA GLU A 52 11.606 0.376 -3.470 1.00 0.00 C ATOM 305 C GLU A 52 10.319 0.058 -4.226 1.00 0.00 C ATOM 306 O GLU A 52 9.673 0.950 -4.776 1.00 0.00 O ATOM 307 CB GLU A 52 12.763 -0.448 -4.041 1.00 0.00 C ATOM 308 CG GLU A 52 13.368 0.145 -5.302 1.00 0.00 C ATOM 309 CD GLU A 52 14.579 -0.627 -5.787 1.00 0.00 C ATOM 310 OE1 GLU A 52 14.395 -1.708 -6.384 1.00 0.00 O ATOM 311 OE2 GLU A 52 15.712 -0.149 -5.569 1.00 0.00 O ATOM 0 H GLU A 52 12.060 -0.623 -1.683 1.00 0.00 H new ATOM 0 HA GLU A 52 11.827 1.436 -3.595 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.541 -0.540 -3.283 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.408 -1.456 -4.257 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.614 0.162 -6.089 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.654 1.180 -5.112 1.00 0.00 H new ATOM 318 N ASP A 53 9.954 -1.219 -4.249 1.00 0.00 N ATOM 319 CA ASP A 53 8.744 -1.656 -4.936 1.00 0.00 C ATOM 320 C ASP A 53 7.637 -0.615 -4.803 1.00 0.00 C ATOM 321 O ASP A 53 7.054 -0.183 -5.798 1.00 0.00 O ATOM 322 CB ASP A 53 8.270 -2.998 -4.376 1.00 0.00 C ATOM 323 CG ASP A 53 9.256 -4.118 -4.643 1.00 0.00 C ATOM 324 OD1 ASP A 53 10.437 -3.973 -4.263 1.00 0.00 O ATOM 325 OD2 ASP A 53 8.847 -5.141 -5.231 1.00 0.00 O ATOM 0 H ASP A 53 10.479 -1.970 -3.800 1.00 0.00 H new ATOM 0 HA ASP A 53 8.980 -1.776 -5.993 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.113 -2.905 -3.301 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.307 -3.253 -4.818 1.00 0.00 H new ATOM 330 N LEU A 54 7.351 -0.218 -3.568 1.00 0.00 N ATOM 331 CA LEU A 54 6.313 0.772 -3.304 1.00 0.00 C ATOM 332 C LEU A 54 6.539 2.032 -4.133 1.00 0.00 C ATOM 333 O LEU A 54 5.697 2.408 -4.949 1.00 0.00 O ATOM 334 CB LEU A 54 6.284 1.125 -1.816 1.00 0.00 C ATOM 335 CG LEU A 54 5.727 0.051 -0.882 1.00 0.00 C ATOM 336 CD1 LEU A 54 5.861 0.483 0.570 1.00 0.00 C ATOM 337 CD2 LEU A 54 4.273 -0.247 -1.219 1.00 0.00 C ATOM 0 H LEU A 54 7.823 -0.566 -2.734 1.00 0.00 H new ATOM 0 HA LEU A 54 5.353 0.340 -3.587 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.300 1.362 -1.500 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.691 2.031 -1.690 1.00 0.00 H new ATOM 0 HG LEU A 54 6.307 -0.861 -1.023 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.459 -0.295 1.220 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.913 0.645 0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.307 1.409 0.727 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.893 -1.014 -0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.680 0.661 -1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.203 -0.602 -2.247 1.00 0.00 H new ATOM 349 N GLU A 55 7.680 2.678 -3.920 1.00 0.00 N ATOM 350 CA GLU A 55 8.016 3.896 -4.649 1.00 0.00 C ATOM 351 C GLU A 55 7.566 3.800 -6.104 1.00 0.00 C ATOM 352 O GLU A 55 6.858 4.673 -6.606 1.00 0.00 O ATOM 353 CB GLU A 55 9.523 4.155 -4.585 1.00 0.00 C ATOM 354 CG GLU A 55 10.004 4.617 -3.220 1.00 0.00 C ATOM 355 CD GLU A 55 11.499 4.869 -3.183 1.00 0.00 C ATOM 356 OE1 GLU A 55 12.256 4.023 -3.702 1.00 0.00 O ATOM 357 OE2 GLU A 55 11.911 5.912 -2.634 1.00 0.00 O ATOM 0 H GLU A 55 8.388 2.379 -3.249 1.00 0.00 H new ATOM 0 HA GLU A 55 7.491 4.728 -4.179 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.052 3.242 -4.857 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.785 4.909 -5.328 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.478 5.531 -2.944 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.748 3.864 -2.475 1.00 0.00 H new ATOM 364 N LYS A 56 7.984 2.733 -6.777 1.00 0.00 N ATOM 365 CA LYS A 56 7.625 2.520 -8.174 1.00 0.00 C ATOM 366 C LYS A 56 6.120 2.320 -8.325 1.00 0.00 C ATOM 367 O LYS A 56 5.450 3.079 -9.027 1.00 0.00 O ATOM 368 CB LYS A 56 8.370 1.307 -8.734 1.00 0.00 C ATOM 369 CG LYS A 56 9.821 1.590 -9.079 1.00 0.00 C ATOM 370 CD LYS A 56 10.691 1.640 -7.834 1.00 0.00 C ATOM 371 CE LYS A 56 12.101 2.109 -8.158 1.00 0.00 C ATOM 372 NZ LYS A 56 12.759 1.234 -9.168 1.00 0.00 N ATOM 0 H LYS A 56 8.572 2.002 -6.377 1.00 0.00 H new ATOM 0 HA LYS A 56 7.914 3.408 -8.737 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.330 0.498 -8.004 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.855 0.956 -9.628 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.193 0.818 -9.753 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.891 2.539 -9.611 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.242 2.311 -7.102 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.731 0.651 -7.377 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.066 3.132 -8.532 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.698 2.123 -7.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.763 1.492 -9.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.680 0.240 -8.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.294 1.358 -10.090 1.00 0.00 H new ATOM 386 N LEU A 57 5.594 1.296 -7.661 1.00 0.00 N ATOM 387 CA LEU A 57 4.168 0.998 -7.720 1.00 0.00 C ATOM 388 C LEU A 57 3.345 2.281 -7.775 1.00 0.00 C ATOM 389 O LEU A 57 2.572 2.495 -8.709 1.00 0.00 O ATOM 390 CB LEU A 57 3.751 0.162 -6.508 1.00 0.00 C ATOM 391 CG LEU A 57 2.255 0.140 -6.191 1.00 0.00 C ATOM 392 CD1 LEU A 57 1.510 -0.727 -7.194 1.00 0.00 C ATOM 393 CD2 LEU A 57 2.018 -0.360 -4.773 1.00 0.00 C ATOM 0 H LEU A 57 6.134 0.659 -7.076 1.00 0.00 H new ATOM 0 HA LEU A 57 3.978 0.428 -8.629 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.083 -0.864 -6.667 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.282 0.537 -5.633 1.00 0.00 H new ATOM 0 HG LEU A 57 1.872 1.158 -6.266 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.447 -0.731 -6.953 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.653 -0.327 -8.198 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.895 -1.746 -7.151 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.948 -0.369 -4.564 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.416 -1.370 -4.672 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.520 0.300 -4.066 1.00 0.00 H new ATOM 405 N PHE A 58 3.517 3.132 -6.769 1.00 0.00 N ATOM 406 CA PHE A 58 2.791 4.395 -6.703 1.00 0.00 C ATOM 407 C PHE A 58 3.283 5.361 -7.777 1.00 0.00 C ATOM 408 O PHE A 58 2.486 5.987 -8.476 1.00 0.00 O ATOM 409 CB PHE A 58 2.952 5.028 -5.319 1.00 0.00 C ATOM 410 CG PHE A 58 2.184 4.317 -4.242 1.00 0.00 C ATOM 411 CD1 PHE A 58 0.850 4.614 -4.013 1.00 0.00 C ATOM 412 CD2 PHE A 58 2.796 3.351 -3.459 1.00 0.00 C ATOM 413 CE1 PHE A 58 0.142 3.961 -3.021 1.00 0.00 C ATOM 414 CE2 PHE A 58 2.092 2.695 -2.467 1.00 0.00 C ATOM 415 CZ PHE A 58 0.763 3.000 -2.248 1.00 0.00 C ATOM 0 H PHE A 58 4.153 2.970 -5.988 1.00 0.00 H new ATOM 0 HA PHE A 58 1.735 4.189 -6.880 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.009 5.038 -5.054 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.624 6.067 -5.363 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.358 5.363 -4.616 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.835 3.108 -3.626 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.897 4.203 -2.851 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.581 1.944 -1.864 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.211 2.488 -1.474 1.00 0.00 H new ATOM 425 N SER A 59 4.601 5.478 -7.902 1.00 0.00 N ATOM 426 CA SER A 59 5.200 6.371 -8.887 1.00 0.00 C ATOM 427 C SER A 59 4.474 6.268 -10.225 1.00 0.00 C ATOM 428 O SER A 59 4.292 7.265 -10.923 1.00 0.00 O ATOM 429 CB SER A 59 6.682 6.041 -9.071 1.00 0.00 C ATOM 430 OG SER A 59 7.227 6.741 -10.175 1.00 0.00 O ATOM 0 H SER A 59 5.275 4.965 -7.333 1.00 0.00 H new ATOM 0 HA SER A 59 5.106 7.393 -8.520 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.231 6.300 -8.165 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.803 4.968 -9.221 1.00 0.00 H new ATOM 0 HG SER A 59 8.176 6.514 -10.270 1.00 0.00 H new ATOM 436 N ALA A 60 4.063 5.054 -10.576 1.00 0.00 N ATOM 437 CA ALA A 60 3.355 4.820 -11.829 1.00 0.00 C ATOM 438 C ALA A 60 2.269 5.866 -12.050 1.00 0.00 C ATOM 439 O ALA A 60 2.077 6.350 -13.166 1.00 0.00 O ATOM 440 CB ALA A 60 2.755 3.422 -11.842 1.00 0.00 C ATOM 0 H ALA A 60 4.208 4.217 -10.011 1.00 0.00 H new ATOM 0 HA ALA A 60 4.073 4.903 -12.645 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.229 3.260 -12.783 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.550 2.684 -11.739 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.055 3.319 -11.013 1.00 0.00 H new ATOM 446 N TYR A 61 1.560 6.212 -10.981 1.00 0.00 N ATOM 447 CA TYR A 61 0.491 7.200 -11.059 1.00 0.00 C ATOM 448 C TYR A 61 1.056 8.599 -11.278 1.00 0.00 C ATOM 449 O TYR A 61 0.464 9.418 -11.980 1.00 0.00 O ATOM 450 CB TYR A 61 -0.352 7.172 -9.783 1.00 0.00 C ATOM 451 CG TYR A 61 -1.109 5.878 -9.585 1.00 0.00 C ATOM 452 CD1 TYR A 61 -0.522 4.799 -8.936 1.00 0.00 C ATOM 453 CD2 TYR A 61 -2.412 5.735 -10.046 1.00 0.00 C ATOM 454 CE1 TYR A 61 -1.209 3.614 -8.754 1.00 0.00 C ATOM 455 CE2 TYR A 61 -3.108 4.555 -9.867 1.00 0.00 C ATOM 456 CZ TYR A 61 -2.502 3.497 -9.221 1.00 0.00 C ATOM 457 OH TYR A 61 -3.191 2.320 -9.040 1.00 0.00 O ATOM 0 H TYR A 61 1.707 5.822 -10.050 1.00 0.00 H new ATOM 0 HA TYR A 61 -0.141 6.947 -11.910 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.299 7.338 -8.924 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.062 7.998 -9.809 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.489 4.888 -8.567 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -2.889 6.561 -10.553 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -0.737 2.784 -8.249 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -4.121 4.461 -10.231 1.00 0.00 H new ATOM 0 HH TYR A 61 -4.088 2.403 -9.426 1.00 0.00 H new ATOM 467 N GLY A 62 2.209 8.866 -10.671 1.00 0.00 N ATOM 468 CA GLY A 62 2.837 10.167 -10.811 1.00 0.00 C ATOM 469 C GLY A 62 4.095 10.296 -9.976 1.00 0.00 C ATOM 470 O GLY A 62 4.531 9.349 -9.321 1.00 0.00 O ATOM 0 H GLY A 62 2.719 8.205 -10.085 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.081 10.338 -11.859 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.129 10.942 -10.518 1.00 0.00 H new ATOM 474 N PRO A 63 4.702 11.493 -9.993 1.00 0.00 N ATOM 475 CA PRO A 63 5.927 11.770 -9.237 1.00 0.00 C ATOM 476 C PRO A 63 5.684 11.806 -7.732 1.00 0.00 C ATOM 477 O PRO A 63 4.757 12.463 -7.258 1.00 0.00 O ATOM 478 CB PRO A 63 6.350 13.151 -9.743 1.00 0.00 C ATOM 479 CG PRO A 63 5.088 13.785 -10.216 1.00 0.00 C ATOM 480 CD PRO A 63 4.238 12.666 -10.752 1.00 0.00 C ATOM 0 HA PRO A 63 6.681 10.997 -9.384 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.815 13.738 -8.950 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.079 13.071 -10.549 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.582 14.303 -9.401 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.290 14.527 -10.989 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.177 12.855 -10.591 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.379 12.532 -11.825 1.00 0.00 H new ATOM 488 N LEU A 64 6.522 11.096 -6.986 1.00 0.00 N ATOM 489 CA LEU A 64 6.399 11.047 -5.533 1.00 0.00 C ATOM 490 C LEU A 64 7.237 12.140 -4.878 1.00 0.00 C ATOM 491 O LEU A 64 8.246 12.577 -5.430 1.00 0.00 O ATOM 492 CB LEU A 64 6.832 9.675 -5.011 1.00 0.00 C ATOM 493 CG LEU A 64 6.067 8.474 -5.566 1.00 0.00 C ATOM 494 CD1 LEU A 64 6.726 7.174 -5.132 1.00 0.00 C ATOM 495 CD2 LEU A 64 4.613 8.513 -5.117 1.00 0.00 C ATOM 0 H LEU A 64 7.294 10.546 -7.363 1.00 0.00 H new ATOM 0 HA LEU A 64 5.353 11.214 -5.276 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.890 9.541 -5.234 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.733 9.674 -3.926 1.00 0.00 H new ATOM 0 HG LEU A 64 6.092 8.524 -6.655 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.167 6.330 -5.537 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.750 7.143 -5.504 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.734 7.116 -4.044 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.084 7.650 -5.522 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.568 8.489 -4.028 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.145 9.428 -5.479 1.00 0.00 H new ATOM 507 N SER A 65 6.811 12.577 -3.696 1.00 0.00 N ATOM 508 CA SER A 65 7.521 13.620 -2.967 1.00 0.00 C ATOM 509 C SER A 65 8.330 13.026 -1.817 1.00 0.00 C ATOM 510 O SER A 65 9.487 13.388 -1.607 1.00 0.00 O ATOM 511 CB SER A 65 6.534 14.657 -2.427 1.00 0.00 C ATOM 512 OG SER A 65 7.186 15.594 -1.588 1.00 0.00 O ATOM 0 H SER A 65 5.978 12.224 -3.224 1.00 0.00 H new ATOM 0 HA SER A 65 8.208 14.107 -3.659 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.058 15.178 -3.258 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.743 14.155 -1.870 1.00 0.00 H new ATOM 0 HG SER A 65 6.534 16.246 -1.257 1.00 0.00 H new ATOM 518 N GLU A 66 7.711 12.111 -1.078 1.00 0.00 N ATOM 519 CA GLU A 66 8.372 11.467 0.051 1.00 0.00 C ATOM 520 C GLU A 66 7.676 10.159 0.415 1.00 0.00 C ATOM 521 O GLU A 66 6.463 10.022 0.252 1.00 0.00 O ATOM 522 CB GLU A 66 8.391 12.402 1.261 1.00 0.00 C ATOM 523 CG GLU A 66 9.057 11.798 2.487 1.00 0.00 C ATOM 524 CD GLU A 66 10.559 12.004 2.495 1.00 0.00 C ATOM 525 OE1 GLU A 66 11.231 11.513 1.565 1.00 0.00 O ATOM 526 OE2 GLU A 66 11.062 12.657 3.434 1.00 0.00 O ATOM 0 H GLU A 66 6.754 11.799 -1.241 1.00 0.00 H new ATOM 0 HA GLU A 66 9.398 11.243 -0.241 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.911 13.321 0.991 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.367 12.677 1.513 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.628 12.243 3.385 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.840 10.730 2.525 1.00 0.00 H new ATOM 533 N LEU A 67 8.452 9.200 0.909 1.00 0.00 N ATOM 534 CA LEU A 67 7.911 7.902 1.296 1.00 0.00 C ATOM 535 C LEU A 67 8.349 7.529 2.709 1.00 0.00 C ATOM 536 O LEU A 67 9.478 7.809 3.114 1.00 0.00 O ATOM 537 CB LEU A 67 8.361 6.824 0.309 1.00 0.00 C ATOM 538 CG LEU A 67 7.670 5.466 0.436 1.00 0.00 C ATOM 539 CD1 LEU A 67 6.272 5.520 -0.160 1.00 0.00 C ATOM 540 CD2 LEU A 67 8.497 4.381 -0.239 1.00 0.00 C ATOM 0 H LEU A 67 9.457 9.297 1.051 1.00 0.00 H new ATOM 0 HA LEU A 67 6.823 7.970 1.278 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.202 7.197 -0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.434 6.676 0.429 1.00 0.00 H new ATOM 0 HG LEU A 67 7.582 5.223 1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.796 4.544 -0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.680 6.268 0.368 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.336 5.786 -1.215 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.990 3.421 -0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.617 4.619 -1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.478 4.324 0.233 1.00 0.00 H new ATOM 552 N HIS A 68 7.450 6.893 3.454 1.00 0.00 N ATOM 553 CA HIS A 68 7.746 6.479 4.821 1.00 0.00 C ATOM 554 C HIS A 68 7.449 4.995 5.015 1.00 0.00 C ATOM 555 O HIS A 68 6.290 4.591 5.107 1.00 0.00 O ATOM 556 CB HIS A 68 6.931 7.308 5.814 1.00 0.00 C ATOM 557 CG HIS A 68 7.358 7.125 7.238 1.00 0.00 C ATOM 558 ND1 HIS A 68 7.692 5.898 7.773 1.00 0.00 N ATOM 559 CD2 HIS A 68 7.507 8.023 8.240 1.00 0.00 C ATOM 560 CE1 HIS A 68 8.025 6.049 9.042 1.00 0.00 C ATOM 561 NE2 HIS A 68 7.922 7.329 9.350 1.00 0.00 N ATOM 0 H HIS A 68 6.511 6.653 3.134 1.00 0.00 H new ATOM 0 HA HIS A 68 8.807 6.646 5.004 1.00 0.00 H new ATOM 0 HB2 HIS A 68 7.016 8.362 5.550 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.879 7.040 5.721 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.332 9.087 8.178 1.00 0.00 H new ATOM 0 HE1 HIS A 68 8.330 5.260 9.714 1.00 0.00 H new ATOM 0 HE2 HIS A 68 8.119 7.736 10.264 1.00 0.00 H new ATOM 570 N TYR A 69 8.503 4.189 5.074 1.00 0.00 N ATOM 571 CA TYR A 69 8.355 2.750 5.254 1.00 0.00 C ATOM 572 C TYR A 69 8.892 2.312 6.613 1.00 0.00 C ATOM 573 O TYR A 69 10.081 2.039 6.781 1.00 0.00 O ATOM 574 CB TYR A 69 9.084 1.998 4.139 1.00 0.00 C ATOM 575 CG TYR A 69 8.505 0.631 3.850 1.00 0.00 C ATOM 576 CD1 TYR A 69 7.135 0.454 3.703 1.00 0.00 C ATOM 577 CD2 TYR A 69 9.327 -0.482 3.726 1.00 0.00 C ATOM 578 CE1 TYR A 69 6.600 -0.793 3.440 1.00 0.00 C ATOM 579 CE2 TYR A 69 8.802 -1.732 3.462 1.00 0.00 C ATOM 580 CZ TYR A 69 7.438 -1.882 3.320 1.00 0.00 C ATOM 581 OH TYR A 69 6.911 -3.126 3.058 1.00 0.00 O ATOM 0 H TYR A 69 9.469 4.508 5.000 1.00 0.00 H new ATOM 0 HA TYR A 69 7.292 2.512 5.210 1.00 0.00 H new ATOM 0 HB2 TYR A 69 9.053 2.596 3.228 1.00 0.00 H new ATOM 0 HB3 TYR A 69 10.133 1.888 4.412 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.477 1.305 3.796 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.395 -0.368 3.838 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.533 -0.914 3.329 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.455 -2.587 3.367 1.00 0.00 H new ATOM 0 HH TYR A 69 7.626 -3.730 2.769 1.00 0.00 H new ATOM 591 N PRO A 70 7.995 2.243 7.608 1.00 0.00 N ATOM 592 CA PRO A 70 8.354 1.839 8.971 1.00 0.00 C ATOM 593 C PRO A 70 8.713 0.359 9.060 1.00 0.00 C ATOM 594 O PRO A 70 8.096 -0.480 8.403 1.00 0.00 O ATOM 595 CB PRO A 70 7.084 2.130 9.773 1.00 0.00 C ATOM 596 CG PRO A 70 5.980 2.060 8.775 1.00 0.00 C ATOM 597 CD PRO A 70 6.562 2.555 7.479 1.00 0.00 C ATOM 0 HA PRO A 70 9.235 2.368 9.335 1.00 0.00 H new ATOM 0 HB2 PRO A 70 6.944 1.400 10.570 1.00 0.00 H new ATOM 0 HB3 PRO A 70 7.130 3.112 10.244 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.611 1.040 8.673 1.00 0.00 H new ATOM 0 HG3 PRO A 70 5.135 2.675 9.084 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.117 2.052 6.620 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.394 3.624 7.345 1.00 0.00 H new ATOM 605 N ILE A 71 9.713 0.046 9.877 1.00 0.00 N ATOM 606 CA ILE A 71 10.152 -1.332 10.053 1.00 0.00 C ATOM 607 C ILE A 71 10.494 -1.618 11.512 1.00 0.00 C ATOM 608 O ILE A 71 10.844 -0.712 12.268 1.00 0.00 O ATOM 609 CB ILE A 71 11.380 -1.648 9.179 1.00 0.00 C ATOM 610 CG1 ILE A 71 11.094 -1.304 7.716 1.00 0.00 C ATOM 611 CG2 ILE A 71 11.767 -3.113 9.319 1.00 0.00 C ATOM 612 CD1 ILE A 71 10.429 -2.426 6.950 1.00 0.00 C ATOM 0 H ILE A 71 10.234 0.728 10.427 1.00 0.00 H new ATOM 0 HA ILE A 71 9.323 -1.969 9.744 1.00 0.00 H new ATOM 0 HB ILE A 71 12.217 -1.038 9.519 1.00 0.00 H new ATOM 0 HG12 ILE A 71 10.457 -0.421 7.677 1.00 0.00 H new ATOM 0 HG13 ILE A 71 12.030 -1.043 7.223 1.00 0.00 H new ATOM 0 HG21 ILE A 71 12.636 -3.321 8.695 1.00 0.00 H new ATOM 0 HG22 ILE A 71 12.008 -3.328 10.360 1.00 0.00 H new ATOM 0 HG23 ILE A 71 10.935 -3.741 9.002 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.256 -2.112 5.921 1.00 0.00 H new ATOM 0 HD12 ILE A 71 11.074 -3.304 6.958 1.00 0.00 H new ATOM 0 HD13 ILE A 71 9.476 -2.672 7.419 1.00 0.00 H new ATOM 624 N ASP A 72 10.390 -2.885 11.900 1.00 0.00 N ATOM 625 CA ASP A 72 10.691 -3.292 13.268 1.00 0.00 C ATOM 626 C ASP A 72 12.191 -3.493 13.458 1.00 0.00 C ATOM 627 O ASP A 72 12.845 -4.158 12.654 1.00 0.00 O ATOM 628 CB ASP A 72 9.943 -4.580 13.615 1.00 0.00 C ATOM 629 CG ASP A 72 9.604 -4.673 15.090 1.00 0.00 C ATOM 630 OD1 ASP A 72 8.785 -3.856 15.563 1.00 0.00 O ATOM 631 OD2 ASP A 72 10.155 -5.562 15.770 1.00 0.00 O ATOM 0 H ASP A 72 10.100 -3.647 11.287 1.00 0.00 H new ATOM 0 HA ASP A 72 10.362 -2.498 13.938 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.025 -4.632 13.030 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.552 -5.438 13.330 1.00 0.00 H new ATOM 636 N SER A 73 12.731 -2.912 14.525 1.00 0.00 N ATOM 637 CA SER A 73 14.155 -3.023 14.818 1.00 0.00 C ATOM 638 C SER A 73 14.485 -4.395 15.398 1.00 0.00 C ATOM 639 O SER A 73 15.630 -4.671 15.759 1.00 0.00 O ATOM 640 CB SER A 73 14.583 -1.927 15.795 1.00 0.00 C ATOM 641 OG SER A 73 15.977 -1.687 15.713 1.00 0.00 O ATOM 0 H SER A 73 12.203 -2.360 15.201 1.00 0.00 H new ATOM 0 HA SER A 73 14.704 -2.901 13.884 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.039 -1.008 15.577 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.320 -2.219 16.812 1.00 0.00 H new ATOM 0 HG SER A 73 16.457 -2.541 15.727 1.00 0.00 H new ATOM 647 N LEU A 74 13.473 -5.252 15.486 1.00 0.00 N ATOM 648 CA LEU A 74 13.654 -6.597 16.022 1.00 0.00 C ATOM 649 C LEU A 74 13.641 -7.635 14.905 1.00 0.00 C ATOM 650 O LEU A 74 14.610 -8.371 14.715 1.00 0.00 O ATOM 651 CB LEU A 74 12.557 -6.913 17.040 1.00 0.00 C ATOM 652 CG LEU A 74 12.338 -5.870 18.137 1.00 0.00 C ATOM 653 CD1 LEU A 74 11.097 -6.203 18.950 1.00 0.00 C ATOM 654 CD2 LEU A 74 13.561 -5.780 19.038 1.00 0.00 C ATOM 0 H LEU A 74 12.519 -5.040 15.193 1.00 0.00 H new ATOM 0 HA LEU A 74 14.624 -6.636 16.518 1.00 0.00 H new ATOM 0 HB2 LEU A 74 11.618 -7.048 16.502 1.00 0.00 H new ATOM 0 HB3 LEU A 74 12.793 -7.866 17.514 1.00 0.00 H new ATOM 0 HG LEU A 74 12.187 -4.899 17.665 1.00 0.00 H new ATOM 0 HD11 LEU A 74 10.957 -5.450 19.726 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.226 -6.216 18.295 1.00 0.00 H new ATOM 0 HD13 LEU A 74 11.217 -7.183 19.413 1.00 0.00 H new ATOM 0 HD21 LEU A 74 13.388 -5.033 19.813 1.00 0.00 H new ATOM 0 HD22 LEU A 74 13.743 -6.749 19.502 1.00 0.00 H new ATOM 0 HD23 LEU A 74 14.429 -5.493 18.445 1.00 0.00 H new ATOM 666 N THR A 75 12.538 -7.688 14.165 1.00 0.00 N ATOM 667 CA THR A 75 12.399 -8.634 13.066 1.00 0.00 C ATOM 668 C THR A 75 12.898 -8.033 11.756 1.00 0.00 C ATOM 669 O THR A 75 13.063 -8.738 10.761 1.00 0.00 O ATOM 670 CB THR A 75 10.935 -9.079 12.889 1.00 0.00 C ATOM 671 OG1 THR A 75 10.225 -8.123 12.094 1.00 0.00 O ATOM 672 CG2 THR A 75 10.250 -9.233 14.238 1.00 0.00 C ATOM 0 H THR A 75 11.727 -7.086 14.308 1.00 0.00 H new ATOM 0 HA THR A 75 13.007 -9.503 13.319 1.00 0.00 H new ATOM 0 HB THR A 75 10.930 -10.045 12.384 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.296 -8.414 11.985 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.217 -9.548 14.088 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.776 -9.983 14.829 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.265 -8.279 14.765 1.00 0.00 H new ATOM 680 N LYS A 76 13.136 -6.726 11.764 1.00 0.00 N ATOM 681 CA LYS A 76 13.618 -6.029 10.577 1.00 0.00 C ATOM 682 C LYS A 76 12.596 -6.108 9.447 1.00 0.00 C ATOM 683 O LYS A 76 12.950 -6.040 8.270 1.00 0.00 O ATOM 684 CB LYS A 76 14.950 -6.625 10.116 1.00 0.00 C ATOM 685 CG LYS A 76 16.079 -6.439 11.116 1.00 0.00 C ATOM 686 CD LYS A 76 15.835 -7.235 12.387 1.00 0.00 C ATOM 687 CE LYS A 76 17.126 -7.466 13.157 1.00 0.00 C ATOM 688 NZ LYS A 76 17.833 -8.693 12.698 1.00 0.00 N ATOM 0 H LYS A 76 13.003 -6.128 12.579 1.00 0.00 H new ATOM 0 HA LYS A 76 13.766 -4.981 10.837 1.00 0.00 H new ATOM 0 HB2 LYS A 76 14.816 -7.690 9.927 1.00 0.00 H new ATOM 0 HB3 LYS A 76 15.235 -6.166 9.169 1.00 0.00 H new ATOM 0 HG2 LYS A 76 17.021 -6.752 10.665 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.178 -5.382 11.361 1.00 0.00 H new ATOM 0 HD2 LYS A 76 15.123 -6.704 13.019 1.00 0.00 H new ATOM 0 HD3 LYS A 76 15.384 -8.195 12.135 1.00 0.00 H new ATOM 0 HE2 LYS A 76 17.781 -6.603 13.036 1.00 0.00 H new ATOM 0 HE3 LYS A 76 16.904 -7.551 14.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 18.708 -8.815 13.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 17.218 -9.520 12.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 18.068 -8.602 11.689 1.00 0.00 H new ATOM 702 N LYS A 77 11.327 -6.250 9.813 1.00 0.00 N ATOM 703 CA LYS A 77 10.252 -6.335 8.831 1.00 0.00 C ATOM 704 C LYS A 77 9.160 -5.313 9.131 1.00 0.00 C ATOM 705 O LYS A 77 8.900 -4.966 10.283 1.00 0.00 O ATOM 706 CB LYS A 77 9.657 -7.744 8.816 1.00 0.00 C ATOM 707 CG LYS A 77 10.460 -8.734 7.990 1.00 0.00 C ATOM 708 CD LYS A 77 9.665 -9.998 7.706 1.00 0.00 C ATOM 709 CE LYS A 77 9.790 -11.002 8.841 1.00 0.00 C ATOM 710 NZ LYS A 77 8.877 -12.164 8.657 1.00 0.00 N ATOM 0 H LYS A 77 11.017 -6.309 10.783 1.00 0.00 H new ATOM 0 HA LYS A 77 10.672 -6.115 7.849 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.587 -8.111 9.840 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.641 -7.696 8.424 1.00 0.00 H new ATOM 0 HG2 LYS A 77 10.755 -8.269 7.049 1.00 0.00 H new ATOM 0 HG3 LYS A 77 11.377 -8.991 8.520 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.616 -9.743 7.558 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.017 -10.450 6.779 1.00 0.00 H new ATOM 0 HE2 LYS A 77 10.819 -11.355 8.902 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.565 -10.510 9.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.992 -12.825 9.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.893 -11.830 8.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.108 -12.649 7.766 1.00 0.00 H new ATOM 724 N PRO A 78 8.502 -4.821 8.071 1.00 0.00 N ATOM 725 CA PRO A 78 7.425 -3.834 8.196 1.00 0.00 C ATOM 726 C PRO A 78 6.168 -4.425 8.825 1.00 0.00 C ATOM 727 O PRO A 78 5.743 -5.525 8.473 1.00 0.00 O ATOM 728 CB PRO A 78 7.154 -3.419 6.748 1.00 0.00 C ATOM 729 CG PRO A 78 7.597 -4.583 5.931 1.00 0.00 C ATOM 730 CD PRO A 78 8.759 -5.189 6.668 1.00 0.00 C ATOM 0 HA PRO A 78 7.705 -3.005 8.846 1.00 0.00 H new ATOM 0 HB2 PRO A 78 6.097 -3.203 6.589 1.00 0.00 H new ATOM 0 HB3 PRO A 78 7.707 -2.517 6.485 1.00 0.00 H new ATOM 0 HG2 PRO A 78 6.790 -5.306 5.813 1.00 0.00 H new ATOM 0 HG3 PRO A 78 7.892 -4.268 4.930 1.00 0.00 H new ATOM 0 HD2 PRO A 78 8.798 -6.270 6.537 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.710 -4.790 6.316 1.00 0.00 H new ATOM 738 N LYS A 79 5.575 -3.686 9.757 1.00 0.00 N ATOM 739 CA LYS A 79 4.365 -4.136 10.435 1.00 0.00 C ATOM 740 C LYS A 79 3.191 -4.205 9.463 1.00 0.00 C ATOM 741 O LYS A 79 2.169 -4.825 9.752 1.00 0.00 O ATOM 742 CB LYS A 79 4.026 -3.196 11.594 1.00 0.00 C ATOM 743 CG LYS A 79 4.955 -3.343 12.787 1.00 0.00 C ATOM 744 CD LYS A 79 5.096 -2.035 13.548 1.00 0.00 C ATOM 745 CE LYS A 79 6.042 -2.178 14.730 1.00 0.00 C ATOM 746 NZ LYS A 79 5.722 -1.211 15.817 1.00 0.00 N ATOM 0 H LYS A 79 5.913 -2.773 10.060 1.00 0.00 H new ATOM 0 HA LYS A 79 4.549 -5.136 10.828 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.064 -2.166 11.239 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.002 -3.384 11.916 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.572 -4.114 13.455 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.936 -3.675 12.447 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.465 -1.260 12.876 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.117 -1.711 13.901 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.985 -3.194 15.120 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.068 -2.022 14.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.389 -1.340 16.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.801 -0.240 15.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.752 -1.376 16.154 1.00 0.00 H new ATOM 760 N GLY A 80 3.346 -3.564 8.308 1.00 0.00 N ATOM 761 CA GLY A 80 2.291 -3.567 7.311 1.00 0.00 C ATOM 762 C GLY A 80 1.605 -2.221 7.190 1.00 0.00 C ATOM 763 O GLY A 80 0.388 -2.150 7.017 1.00 0.00 O ATOM 0 H GLY A 80 4.183 -3.043 8.045 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.710 -3.846 6.344 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.553 -4.326 7.570 1.00 0.00 H new ATOM 767 N PHE A 81 2.386 -1.149 7.282 1.00 0.00 N ATOM 768 CA PHE A 81 1.845 0.202 7.184 1.00 0.00 C ATOM 769 C PHE A 81 2.901 1.174 6.667 1.00 0.00 C ATOM 770 O PHE A 81 4.086 1.038 6.970 1.00 0.00 O ATOM 771 CB PHE A 81 1.330 0.668 8.547 1.00 0.00 C ATOM 772 CG PHE A 81 2.424 1.064 9.498 1.00 0.00 C ATOM 773 CD1 PHE A 81 3.453 0.185 9.795 1.00 0.00 C ATOM 774 CD2 PHE A 81 2.424 2.315 10.093 1.00 0.00 C ATOM 775 CE1 PHE A 81 4.460 0.547 10.670 1.00 0.00 C ATOM 776 CE2 PHE A 81 3.429 2.682 10.968 1.00 0.00 C ATOM 777 CZ PHE A 81 4.449 1.797 11.256 1.00 0.00 C ATOM 0 H PHE A 81 3.395 -1.190 7.424 1.00 0.00 H new ATOM 0 HA PHE A 81 1.016 0.184 6.477 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.660 1.516 8.403 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.740 -0.131 8.996 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.468 -0.793 9.338 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.629 3.012 9.871 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.255 -0.148 10.895 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.417 3.660 11.426 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.236 2.082 11.938 1.00 0.00 H new ATOM 787 N ALA A 82 2.462 2.154 5.884 1.00 0.00 N ATOM 788 CA ALA A 82 3.368 3.150 5.326 1.00 0.00 C ATOM 789 C ALA A 82 2.611 4.405 4.903 1.00 0.00 C ATOM 790 O ALA A 82 1.382 4.407 4.835 1.00 0.00 O ATOM 791 CB ALA A 82 4.130 2.567 4.145 1.00 0.00 C ATOM 0 H ALA A 82 1.484 2.279 5.622 1.00 0.00 H new ATOM 0 HA ALA A 82 4.081 3.432 6.101 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.803 3.322 3.738 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.709 1.705 4.476 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.425 2.256 3.374 1.00 0.00 H new ATOM 797 N PHE A 83 3.353 5.470 4.619 1.00 0.00 N ATOM 798 CA PHE A 83 2.751 6.732 4.204 1.00 0.00 C ATOM 799 C PHE A 83 3.349 7.211 2.884 1.00 0.00 C ATOM 800 O PHE A 83 4.556 7.431 2.779 1.00 0.00 O ATOM 801 CB PHE A 83 2.952 7.797 5.284 1.00 0.00 C ATOM 802 CG PHE A 83 1.934 7.732 6.386 1.00 0.00 C ATOM 803 CD1 PHE A 83 0.732 8.412 6.277 1.00 0.00 C ATOM 804 CD2 PHE A 83 2.179 6.992 7.531 1.00 0.00 C ATOM 805 CE1 PHE A 83 -0.208 8.354 7.290 1.00 0.00 C ATOM 806 CE2 PHE A 83 1.243 6.930 8.547 1.00 0.00 C ATOM 807 CZ PHE A 83 0.049 7.613 8.426 1.00 0.00 C ATOM 0 H PHE A 83 4.372 5.485 4.669 1.00 0.00 H new ATOM 0 HA PHE A 83 1.683 6.567 4.061 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.948 7.685 5.713 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.913 8.783 4.822 1.00 0.00 H new ATOM 0 HD1 PHE A 83 0.527 8.994 5.391 1.00 0.00 H new ATOM 0 HD2 PHE A 83 3.112 6.457 7.631 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.142 8.888 7.192 1.00 0.00 H new ATOM 0 HE2 PHE A 83 1.446 6.348 9.434 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.683 7.568 9.219 1.00 0.00 H new ATOM 817 N VAL A 84 2.495 7.370 1.878 1.00 0.00 N ATOM 818 CA VAL A 84 2.937 7.823 0.565 1.00 0.00 C ATOM 819 C VAL A 84 2.524 9.270 0.315 1.00 0.00 C ATOM 820 O VAL A 84 1.337 9.599 0.321 1.00 0.00 O ATOM 821 CB VAL A 84 2.365 6.936 -0.557 1.00 0.00 C ATOM 822 CG1 VAL A 84 2.838 7.425 -1.918 1.00 0.00 C ATOM 823 CG2 VAL A 84 2.755 5.483 -0.338 1.00 0.00 C ATOM 0 H VAL A 84 1.493 7.192 1.947 1.00 0.00 H new ATOM 0 HA VAL A 84 4.025 7.752 0.555 1.00 0.00 H new ATOM 0 HB VAL A 84 1.277 7.004 -0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.424 6.786 -2.698 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.503 8.451 -2.073 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.927 7.389 -1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.342 4.871 -1.140 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.841 5.394 -0.336 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.361 5.141 0.619 1.00 0.00 H new ATOM 833 N THR A 85 3.512 10.132 0.094 1.00 0.00 N ATOM 834 CA THR A 85 3.252 11.543 -0.158 1.00 0.00 C ATOM 835 C THR A 85 3.537 11.905 -1.611 1.00 0.00 C ATOM 836 O THR A 85 4.694 12.027 -2.015 1.00 0.00 O ATOM 837 CB THR A 85 4.102 12.443 0.760 1.00 0.00 C ATOM 838 OG1 THR A 85 4.176 11.875 2.072 1.00 0.00 O ATOM 839 CG2 THR A 85 3.513 13.843 0.841 1.00 0.00 C ATOM 0 H THR A 85 4.500 9.877 0.085 1.00 0.00 H new ATOM 0 HA THR A 85 2.196 11.712 0.054 1.00 0.00 H new ATOM 0 HB THR A 85 5.104 12.511 0.337 1.00 0.00 H new ATOM 0 HG1 THR A 85 4.719 12.452 2.648 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.130 14.460 1.494 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.486 14.284 -0.155 1.00 0.00 H new ATOM 0 HG23 THR A 85 2.501 13.789 1.242 1.00 0.00 H new ATOM 847 N PHE A 86 2.477 12.075 -2.393 1.00 0.00 N ATOM 848 CA PHE A 86 2.614 12.422 -3.802 1.00 0.00 C ATOM 849 C PHE A 86 2.958 13.900 -3.968 1.00 0.00 C ATOM 850 O PHE A 86 2.608 14.727 -3.126 1.00 0.00 O ATOM 851 CB PHE A 86 1.322 12.100 -4.557 1.00 0.00 C ATOM 852 CG PHE A 86 1.219 10.663 -4.983 1.00 0.00 C ATOM 853 CD1 PHE A 86 0.794 9.692 -4.091 1.00 0.00 C ATOM 854 CD2 PHE A 86 1.548 10.285 -6.274 1.00 0.00 C ATOM 855 CE1 PHE A 86 0.698 8.369 -4.480 1.00 0.00 C ATOM 856 CE2 PHE A 86 1.453 8.964 -6.669 1.00 0.00 C ATOM 857 CZ PHE A 86 1.029 8.004 -5.771 1.00 0.00 C ATOM 0 H PHE A 86 1.513 11.978 -2.075 1.00 0.00 H new ATOM 0 HA PHE A 86 3.428 11.828 -4.218 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.470 12.345 -3.923 1.00 0.00 H new ATOM 0 HB3 PHE A 86 1.257 12.738 -5.439 1.00 0.00 H new ATOM 0 HD1 PHE A 86 0.535 9.972 -3.081 1.00 0.00 H new ATOM 0 HD2 PHE A 86 1.883 11.031 -6.980 1.00 0.00 H new ATOM 0 HE1 PHE A 86 0.365 7.621 -3.776 1.00 0.00 H new ATOM 0 HE2 PHE A 86 1.710 8.682 -7.679 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.956 6.971 -6.077 1.00 0.00 H new ATOM 867 N MET A 87 3.645 14.223 -5.058 1.00 0.00 N ATOM 868 CA MET A 87 4.036 15.600 -5.334 1.00 0.00 C ATOM 869 C MET A 87 2.809 16.494 -5.485 1.00 0.00 C ATOM 870 O MET A 87 2.749 17.584 -4.916 1.00 0.00 O ATOM 871 CB MET A 87 4.889 15.666 -6.603 1.00 0.00 C ATOM 872 CG MET A 87 6.379 15.519 -6.342 1.00 0.00 C ATOM 873 SD MET A 87 7.192 17.101 -6.050 1.00 0.00 S ATOM 874 CE MET A 87 6.179 17.764 -4.730 1.00 0.00 C ATOM 0 H MET A 87 3.942 13.550 -5.765 1.00 0.00 H new ATOM 0 HA MET A 87 4.624 15.960 -4.490 1.00 0.00 H new ATOM 0 HB2 MET A 87 4.569 14.880 -7.287 1.00 0.00 H new ATOM 0 HB3 MET A 87 4.708 16.617 -7.103 1.00 0.00 H new ATOM 0 HG2 MET A 87 6.530 14.872 -5.478 1.00 0.00 H new ATOM 0 HG3 MET A 87 6.846 15.027 -7.195 1.00 0.00 H new ATOM 0 HE1 MET A 87 6.655 18.654 -4.318 1.00 0.00 H new ATOM 0 HE2 MET A 87 5.196 18.026 -5.122 1.00 0.00 H new ATOM 0 HE3 MET A 87 6.068 17.016 -3.945 1.00 0.00 H new ATOM 884 N PHE A 88 1.833 16.025 -6.255 1.00 0.00 N ATOM 885 CA PHE A 88 0.607 16.783 -6.481 1.00 0.00 C ATOM 886 C PHE A 88 -0.605 16.033 -5.936 1.00 0.00 C ATOM 887 O PHE A 88 -0.668 14.803 -5.961 1.00 0.00 O ATOM 888 CB PHE A 88 0.422 17.059 -7.974 1.00 0.00 C ATOM 889 CG PHE A 88 1.654 17.598 -8.642 1.00 0.00 C ATOM 890 CD1 PHE A 88 2.174 18.829 -8.276 1.00 0.00 C ATOM 891 CD2 PHE A 88 2.293 16.875 -9.636 1.00 0.00 C ATOM 892 CE1 PHE A 88 3.308 19.328 -8.889 1.00 0.00 C ATOM 893 CE2 PHE A 88 3.427 17.368 -10.253 1.00 0.00 C ATOM 894 CZ PHE A 88 3.935 18.596 -9.878 1.00 0.00 C ATOM 0 H PHE A 88 1.867 15.124 -6.733 1.00 0.00 H new ATOM 0 HA PHE A 88 0.693 17.732 -5.951 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.123 16.136 -8.471 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -0.393 17.770 -8.105 1.00 0.00 H new ATOM 0 HD1 PHE A 88 1.688 19.405 -7.503 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.900 15.914 -9.933 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.703 20.289 -8.595 1.00 0.00 H new ATOM 0 HE2 PHE A 88 3.915 16.794 -11.027 1.00 0.00 H new ATOM 0 HZ PHE A 88 4.822 18.984 -10.358 1.00 0.00 H new ATOM 904 N PRO A 89 -1.590 16.789 -5.431 1.00 0.00 N ATOM 905 CA PRO A 89 -2.818 16.218 -4.870 1.00 0.00 C ATOM 906 C PRO A 89 -3.710 15.598 -5.940 1.00 0.00 C ATOM 907 O PRO A 89 -4.326 14.555 -5.719 1.00 0.00 O ATOM 908 CB PRO A 89 -3.510 17.424 -4.230 1.00 0.00 C ATOM 909 CG PRO A 89 -2.995 18.601 -4.985 1.00 0.00 C ATOM 910 CD PRO A 89 -1.582 18.260 -5.369 1.00 0.00 C ATOM 0 HA PRO A 89 -2.609 15.409 -4.170 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -4.594 17.346 -4.309 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -3.273 17.500 -3.169 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.604 18.795 -5.868 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -3.026 19.502 -4.372 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.309 18.701 -6.328 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.866 18.627 -4.634 1.00 0.00 H new ATOM 918 N GLU A 90 -3.774 16.246 -7.099 1.00 0.00 N ATOM 919 CA GLU A 90 -4.592 15.756 -8.203 1.00 0.00 C ATOM 920 C GLU A 90 -4.265 14.299 -8.518 1.00 0.00 C ATOM 921 O GLU A 90 -5.161 13.479 -8.718 1.00 0.00 O ATOM 922 CB GLU A 90 -4.378 16.620 -9.448 1.00 0.00 C ATOM 923 CG GLU A 90 -2.992 16.479 -10.055 1.00 0.00 C ATOM 924 CD GLU A 90 -2.786 17.384 -11.254 1.00 0.00 C ATOM 925 OE1 GLU A 90 -3.628 17.352 -12.174 1.00 0.00 O ATOM 926 OE2 GLU A 90 -1.781 18.126 -11.270 1.00 0.00 O ATOM 0 H GLU A 90 -3.270 17.110 -7.298 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.638 15.818 -7.902 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.123 16.353 -10.198 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -4.547 17.665 -9.188 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.243 16.709 -9.298 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.834 15.443 -10.355 1.00 0.00 H new ATOM 933 N HIS A 91 -2.974 13.985 -8.562 1.00 0.00 N ATOM 934 CA HIS A 91 -2.527 12.628 -8.853 1.00 0.00 C ATOM 935 C HIS A 91 -2.850 11.689 -7.695 1.00 0.00 C ATOM 936 O HIS A 91 -3.283 10.556 -7.904 1.00 0.00 O ATOM 937 CB HIS A 91 -1.024 12.612 -9.133 1.00 0.00 C ATOM 938 CG HIS A 91 -0.630 13.413 -10.336 1.00 0.00 C ATOM 939 ND1 HIS A 91 0.612 13.994 -10.480 1.00 0.00 N ATOM 940 CD2 HIS A 91 -1.322 13.727 -11.456 1.00 0.00 C ATOM 941 CE1 HIS A 91 0.666 14.632 -11.635 1.00 0.00 C ATOM 942 NE2 HIS A 91 -0.495 14.485 -12.247 1.00 0.00 N ATOM 0 H HIS A 91 -2.219 14.652 -8.400 1.00 0.00 H new ATOM 0 HA HIS A 91 -3.058 12.280 -9.739 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.496 12.998 -8.261 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -0.699 11.581 -9.271 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -2.336 13.435 -11.685 1.00 0.00 H new ATOM 0 HE1 HIS A 91 1.515 15.181 -12.015 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -0.738 14.872 -13.159 1.00 0.00 H new ATOM 951 N ALA A 92 -2.636 12.168 -6.474 1.00 0.00 N ATOM 952 CA ALA A 92 -2.906 11.373 -5.283 1.00 0.00 C ATOM 953 C ALA A 92 -4.335 10.839 -5.291 1.00 0.00 C ATOM 954 O ALA A 92 -4.582 9.691 -4.923 1.00 0.00 O ATOM 955 CB ALA A 92 -2.656 12.198 -4.029 1.00 0.00 C ATOM 0 H ALA A 92 -2.276 13.103 -6.284 1.00 0.00 H new ATOM 0 HA ALA A 92 -2.227 10.520 -5.285 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.862 11.591 -3.147 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.616 12.525 -4.010 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.311 13.070 -4.030 1.00 0.00 H new ATOM 961 N VAL A 93 -5.274 11.681 -5.712 1.00 0.00 N ATOM 962 CA VAL A 93 -6.678 11.294 -5.769 1.00 0.00 C ATOM 963 C VAL A 93 -6.888 10.126 -6.725 1.00 0.00 C ATOM 964 O VAL A 93 -7.553 9.145 -6.390 1.00 0.00 O ATOM 965 CB VAL A 93 -7.568 12.471 -6.211 1.00 0.00 C ATOM 966 CG1 VAL A 93 -9.021 12.033 -6.315 1.00 0.00 C ATOM 967 CG2 VAL A 93 -7.422 13.640 -5.248 1.00 0.00 C ATOM 0 H VAL A 93 -5.087 12.636 -6.019 1.00 0.00 H new ATOM 0 HA VAL A 93 -6.963 10.991 -4.762 1.00 0.00 H new ATOM 0 HB VAL A 93 -7.242 12.800 -7.198 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -9.634 12.878 -6.628 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -9.108 11.230 -7.047 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -9.364 11.676 -5.344 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.058 14.463 -5.575 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.721 13.327 -4.248 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.383 13.969 -5.230 1.00 0.00 H new ATOM 977 N LYS A 94 -6.316 10.236 -7.920 1.00 0.00 N ATOM 978 CA LYS A 94 -6.438 9.188 -8.927 1.00 0.00 C ATOM 979 C LYS A 94 -5.952 7.850 -8.381 1.00 0.00 C ATOM 980 O LYS A 94 -6.566 6.811 -8.621 1.00 0.00 O ATOM 981 CB LYS A 94 -5.641 9.560 -10.179 1.00 0.00 C ATOM 982 CG LYS A 94 -5.532 8.431 -11.188 1.00 0.00 C ATOM 983 CD LYS A 94 -4.304 8.588 -12.069 1.00 0.00 C ATOM 984 CE LYS A 94 -4.163 7.426 -13.041 1.00 0.00 C ATOM 985 NZ LYS A 94 -3.390 7.809 -14.255 1.00 0.00 N ATOM 0 H LYS A 94 -5.763 11.041 -8.215 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.491 9.092 -9.190 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.112 10.419 -10.657 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.639 9.869 -9.883 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.485 7.476 -10.664 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.427 8.410 -11.810 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.371 9.523 -12.625 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.413 8.652 -11.445 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.667 6.593 -12.542 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.153 7.077 -13.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -3.316 6.990 -14.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.876 8.587 -14.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.437 8.118 -13.976 1.00 0.00 H new ATOM 999 N ALA A 95 -4.846 7.883 -7.644 1.00 0.00 N ATOM 1000 CA ALA A 95 -4.279 6.673 -7.062 1.00 0.00 C ATOM 1001 C ALA A 95 -5.183 6.116 -5.967 1.00 0.00 C ATOM 1002 O ALA A 95 -5.334 4.901 -5.832 1.00 0.00 O ATOM 1003 CB ALA A 95 -2.889 6.954 -6.510 1.00 0.00 C ATOM 0 H ALA A 95 -4.325 8.735 -7.436 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.200 5.923 -7.849 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.478 6.042 -6.078 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.241 7.299 -7.315 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.952 7.723 -5.740 1.00 0.00 H new ATOM 1009 N TYR A 96 -5.780 7.010 -5.187 1.00 0.00 N ATOM 1010 CA TYR A 96 -6.666 6.607 -4.102 1.00 0.00 C ATOM 1011 C TYR A 96 -7.973 6.040 -4.648 1.00 0.00 C ATOM 1012 O TYR A 96 -8.670 5.289 -3.965 1.00 0.00 O ATOM 1013 CB TYR A 96 -6.957 7.797 -3.185 1.00 0.00 C ATOM 1014 CG TYR A 96 -8.295 7.709 -2.486 1.00 0.00 C ATOM 1015 CD1 TYR A 96 -8.548 6.712 -1.551 1.00 0.00 C ATOM 1016 CD2 TYR A 96 -9.306 8.622 -2.760 1.00 0.00 C ATOM 1017 CE1 TYR A 96 -9.769 6.628 -0.910 1.00 0.00 C ATOM 1018 CE2 TYR A 96 -10.529 8.546 -2.123 1.00 0.00 C ATOM 1019 CZ TYR A 96 -10.756 7.547 -1.199 1.00 0.00 C ATOM 1020 OH TYR A 96 -11.974 7.468 -0.563 1.00 0.00 O ATOM 0 H TYR A 96 -5.666 8.019 -5.286 1.00 0.00 H new ATOM 0 HA TYR A 96 -6.165 5.828 -3.528 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -6.169 7.869 -2.435 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.923 8.715 -3.772 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -7.777 5.991 -1.322 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -9.132 9.405 -3.484 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -9.950 5.847 -0.186 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -11.303 9.265 -2.347 1.00 0.00 H new ATOM 0 HH TYR A 96 -12.556 8.190 -0.880 1.00 0.00 H new ATOM 1030 N ALA A 97 -8.299 6.405 -5.883 1.00 0.00 N ATOM 1031 CA ALA A 97 -9.520 5.931 -6.523 1.00 0.00 C ATOM 1032 C ALA A 97 -9.292 4.592 -7.217 1.00 0.00 C ATOM 1033 O ALA A 97 -10.223 3.806 -7.388 1.00 0.00 O ATOM 1034 CB ALA A 97 -10.028 6.963 -7.519 1.00 0.00 C ATOM 0 H ALA A 97 -7.734 7.028 -6.461 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.274 5.786 -5.749 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -10.940 6.596 -7.990 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -10.238 7.898 -6.999 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -9.270 7.136 -8.283 1.00 0.00 H new ATOM 1040 N GLU A 98 -8.049 4.340 -7.614 1.00 0.00 N ATOM 1041 CA GLU A 98 -7.701 3.096 -8.290 1.00 0.00 C ATOM 1042 C GLU A 98 -7.064 2.108 -7.317 1.00 0.00 C ATOM 1043 O GLU A 98 -7.540 0.984 -7.156 1.00 0.00 O ATOM 1044 CB GLU A 98 -6.745 3.372 -9.453 1.00 0.00 C ATOM 1045 CG GLU A 98 -7.403 4.078 -10.627 1.00 0.00 C ATOM 1046 CD GLU A 98 -6.627 3.908 -11.919 1.00 0.00 C ATOM 1047 OE1 GLU A 98 -6.129 2.790 -12.169 1.00 0.00 O ATOM 1048 OE2 GLU A 98 -6.517 4.893 -12.679 1.00 0.00 O ATOM 0 H GLU A 98 -7.267 4.980 -7.479 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.618 2.655 -8.680 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.915 3.980 -9.093 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.323 2.428 -9.798 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.413 3.690 -10.760 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.497 5.140 -10.401 1.00 0.00 H new ATOM 1055 N VAL A 99 -5.983 2.535 -6.671 1.00 0.00 N ATOM 1056 CA VAL A 99 -5.281 1.689 -5.714 1.00 0.00 C ATOM 1057 C VAL A 99 -6.235 1.144 -4.658 1.00 0.00 C ATOM 1058 O VAL A 99 -6.371 -0.069 -4.497 1.00 0.00 O ATOM 1059 CB VAL A 99 -4.144 2.458 -5.015 1.00 0.00 C ATOM 1060 CG1 VAL A 99 -3.457 1.575 -3.984 1.00 0.00 C ATOM 1061 CG2 VAL A 99 -3.144 2.976 -6.037 1.00 0.00 C ATOM 0 H VAL A 99 -5.575 3.462 -6.793 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.856 0.859 -6.278 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.574 3.314 -4.496 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.657 2.135 -3.501 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.183 1.259 -3.235 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -3.039 0.697 -4.477 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.348 3.517 -5.525 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.718 2.137 -6.587 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -3.649 3.646 -6.733 1.00 0.00 H new ATOM 1071 N ASP A 100 -6.895 2.047 -3.942 1.00 0.00 N ATOM 1072 CA ASP A 100 -7.839 1.657 -2.901 1.00 0.00 C ATOM 1073 C ASP A 100 -8.649 0.438 -3.332 1.00 0.00 C ATOM 1074 O ASP A 100 -9.687 0.567 -3.980 1.00 0.00 O ATOM 1075 CB ASP A 100 -8.778 2.819 -2.573 1.00 0.00 C ATOM 1076 CG ASP A 100 -9.597 2.566 -1.323 1.00 0.00 C ATOM 1077 OD1 ASP A 100 -9.028 2.063 -0.332 1.00 0.00 O ATOM 1078 OD2 ASP A 100 -10.808 2.872 -1.335 1.00 0.00 O ATOM 0 H ASP A 100 -6.794 3.055 -4.063 1.00 0.00 H new ATOM 0 HA ASP A 100 -7.271 1.396 -2.008 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -8.193 3.729 -2.442 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -9.449 2.989 -3.415 1.00 0.00 H new ATOM 1083 N GLY A 101 -8.166 -0.746 -2.968 1.00 0.00 N ATOM 1084 CA GLY A 101 -8.857 -1.971 -3.326 1.00 0.00 C ATOM 1085 C GLY A 101 -8.081 -2.802 -4.329 1.00 0.00 C ATOM 1086 O GLY A 101 -8.670 -3.524 -5.133 1.00 0.00 O ATOM 0 H GLY A 101 -7.309 -0.879 -2.432 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.032 -2.562 -2.427 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.834 -1.725 -3.741 1.00 0.00 H new ATOM 1090 N GLN A 102 -6.757 -2.698 -4.283 1.00 0.00 N ATOM 1091 CA GLN A 102 -5.900 -3.445 -5.197 1.00 0.00 C ATOM 1092 C GLN A 102 -5.153 -4.552 -4.460 1.00 0.00 C ATOM 1093 O GLN A 102 -4.961 -4.484 -3.246 1.00 0.00 O ATOM 1094 CB GLN A 102 -4.903 -2.505 -5.877 1.00 0.00 C ATOM 1095 CG GLN A 102 -3.785 -2.037 -4.960 1.00 0.00 C ATOM 1096 CD GLN A 102 -2.499 -1.748 -5.709 1.00 0.00 C ATOM 1097 OE1 GLN A 102 -2.336 -0.505 -6.148 1.00 0.00 O flip ATOM 1098 NE2 GLN A 102 -1.661 -2.631 -5.891 1.00 0.00 N flip ATOM 0 H GLN A 102 -6.254 -2.104 -3.623 1.00 0.00 H new ATOM 0 HA GLN A 102 -6.533 -3.903 -5.957 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -4.467 -3.012 -6.738 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -5.438 -1.635 -6.257 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -4.104 -1.138 -4.434 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -3.597 -2.799 -4.204 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -1.827 -3.573 -5.536 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.800 -2.421 -6.397 1.00 0.00 H new ATOM 1107 N VAL A 103 -4.732 -5.570 -5.203 1.00 0.00 N ATOM 1108 CA VAL A 103 -4.005 -6.692 -4.621 1.00 0.00 C ATOM 1109 C VAL A 103 -2.521 -6.621 -4.963 1.00 0.00 C ATOM 1110 O VAL A 103 -2.146 -6.276 -6.084 1.00 0.00 O ATOM 1111 CB VAL A 103 -4.569 -8.040 -5.108 1.00 0.00 C ATOM 1112 CG1 VAL A 103 -3.724 -9.192 -4.586 1.00 0.00 C ATOM 1113 CG2 VAL A 103 -6.020 -8.195 -4.681 1.00 0.00 C ATOM 0 H VAL A 103 -4.882 -5.641 -6.209 1.00 0.00 H new ATOM 0 HA VAL A 103 -4.130 -6.624 -3.540 1.00 0.00 H new ATOM 0 HB VAL A 103 -4.531 -8.058 -6.197 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.138 -10.136 -4.940 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -2.701 -9.086 -4.947 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -3.727 -9.181 -3.496 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -6.403 -9.153 -5.033 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -6.085 -8.156 -3.594 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -6.614 -7.387 -5.109 1.00 0.00 H new ATOM 1123 N PHE A 104 -1.678 -6.951 -3.990 1.00 0.00 N ATOM 1124 CA PHE A 104 -0.234 -6.925 -4.187 1.00 0.00 C ATOM 1125 C PHE A 104 0.434 -8.095 -3.470 1.00 0.00 C ATOM 1126 O PHE A 104 0.501 -8.127 -2.242 1.00 0.00 O ATOM 1127 CB PHE A 104 0.347 -5.603 -3.680 1.00 0.00 C ATOM 1128 CG PHE A 104 1.650 -5.232 -4.330 1.00 0.00 C ATOM 1129 CD1 PHE A 104 1.746 -5.129 -5.708 1.00 0.00 C ATOM 1130 CD2 PHE A 104 2.777 -4.988 -3.563 1.00 0.00 C ATOM 1131 CE1 PHE A 104 2.943 -4.788 -6.310 1.00 0.00 C ATOM 1132 CE2 PHE A 104 3.977 -4.646 -4.159 1.00 0.00 C ATOM 1133 CZ PHE A 104 4.060 -4.547 -5.534 1.00 0.00 C ATOM 0 H PHE A 104 -1.971 -7.240 -3.057 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.036 -7.016 -5.255 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.377 -4.807 -3.855 1.00 0.00 H new ATOM 0 HB3 PHE A 104 0.494 -5.670 -2.602 1.00 0.00 H new ATOM 0 HD1 PHE A 104 0.876 -5.317 -6.319 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.718 -5.066 -2.487 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.005 -4.710 -7.385 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.848 -4.457 -3.550 1.00 0.00 H new ATOM 0 HZ PHE A 104 4.997 -4.282 -6.002 1.00 0.00 H new ATOM 1143 N GLN A 105 0.927 -9.053 -4.248 1.00 0.00 N ATOM 1144 CA GLN A 105 1.589 -10.226 -3.689 1.00 0.00 C ATOM 1145 C GLN A 105 0.664 -10.965 -2.727 1.00 0.00 C ATOM 1146 O GLN A 105 1.122 -11.627 -1.796 1.00 0.00 O ATOM 1147 CB GLN A 105 2.874 -9.816 -2.967 1.00 0.00 C ATOM 1148 CG GLN A 105 4.044 -9.565 -3.903 1.00 0.00 C ATOM 1149 CD GLN A 105 3.640 -8.802 -5.150 1.00 0.00 C ATOM 1150 OE1 GLN A 105 2.934 -9.327 -6.011 1.00 0.00 O ATOM 1151 NE2 GLN A 105 4.088 -7.557 -5.253 1.00 0.00 N ATOM 0 H GLN A 105 0.881 -9.040 -5.267 1.00 0.00 H new ATOM 0 HA GLN A 105 1.841 -10.897 -4.510 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.683 -8.913 -2.388 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.148 -10.597 -2.258 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.815 -9.006 -3.373 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.484 -10.519 -4.192 1.00 0.00 H new ATOM 0 HE21 GLN A 105 4.671 -7.162 -4.515 1.00 0.00 H new ATOM 0 HE22 GLN A 105 3.850 -6.995 -6.070 1.00 0.00 H new ATOM 1160 N GLY A 106 -0.640 -10.847 -2.958 1.00 0.00 N ATOM 1161 CA GLY A 106 -1.608 -11.509 -2.103 1.00 0.00 C ATOM 1162 C GLY A 106 -1.877 -10.737 -0.827 1.00 0.00 C ATOM 1163 O GLY A 106 -2.155 -11.328 0.217 1.00 0.00 O ATOM 0 H GLY A 106 -1.043 -10.305 -3.722 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -2.542 -11.639 -2.649 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -1.245 -12.505 -1.852 1.00 0.00 H new ATOM 1167 N ARG A 107 -1.794 -9.413 -0.909 1.00 0.00 N ATOM 1168 CA ARG A 107 -2.029 -8.560 0.250 1.00 0.00 C ATOM 1169 C ARG A 107 -3.020 -7.449 -0.085 1.00 0.00 C ATOM 1170 O ARG A 107 -2.730 -6.568 -0.893 1.00 0.00 O ATOM 1171 CB ARG A 107 -0.712 -7.953 0.738 1.00 0.00 C ATOM 1172 CG ARG A 107 0.005 -8.804 1.773 1.00 0.00 C ATOM 1173 CD ARG A 107 -0.841 -8.989 3.024 1.00 0.00 C ATOM 1174 NE ARG A 107 -1.702 -10.165 2.933 1.00 0.00 N ATOM 1175 CZ ARG A 107 -2.731 -10.386 3.744 1.00 0.00 C ATOM 1176 NH1 ARG A 107 -3.025 -9.516 4.700 1.00 0.00 N ATOM 1177 NH2 ARG A 107 -3.468 -11.480 3.599 1.00 0.00 N ATOM 0 H ARG A 107 -1.566 -8.908 -1.765 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.454 -9.175 1.043 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -0.052 -7.803 -0.117 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -0.911 -6.969 1.164 1.00 0.00 H new ATOM 0 HG2 ARG A 107 0.241 -9.778 1.345 1.00 0.00 H new ATOM 0 HG3 ARG A 107 0.952 -8.335 2.039 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -0.189 -9.084 3.892 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -1.454 -8.102 3.181 1.00 0.00 H new ATOM 0 HE ARG A 107 -1.503 -10.854 2.208 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -2.461 -8.674 4.815 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -3.816 -9.688 5.321 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -3.245 -12.152 2.865 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -4.258 -11.649 4.222 1.00 0.00 H new ATOM 1191 N MET A 108 -4.191 -7.500 0.542 1.00 0.00 N ATOM 1192 CA MET A 108 -5.225 -6.498 0.311 1.00 0.00 C ATOM 1193 C MET A 108 -4.763 -5.122 0.781 1.00 0.00 C ATOM 1194 O MET A 108 -4.785 -4.822 1.976 1.00 0.00 O ATOM 1195 CB MET A 108 -6.515 -6.889 1.034 1.00 0.00 C ATOM 1196 CG MET A 108 -7.774 -6.387 0.344 1.00 0.00 C ATOM 1197 SD MET A 108 -7.800 -4.593 0.167 1.00 0.00 S ATOM 1198 CE MET A 108 -7.352 -4.417 -1.559 1.00 0.00 C ATOM 0 H MET A 108 -4.447 -8.224 1.213 1.00 0.00 H new ATOM 0 HA MET A 108 -5.417 -6.451 -0.761 1.00 0.00 H new ATOM 0 HB2 MET A 108 -6.562 -7.975 1.114 1.00 0.00 H new ATOM 0 HB3 MET A 108 -6.486 -6.496 2.050 1.00 0.00 H new ATOM 0 HG2 MET A 108 -7.852 -6.847 -0.641 1.00 0.00 H new ATOM 0 HG3 MET A 108 -8.647 -6.705 0.914 1.00 0.00 H new ATOM 0 HE1 MET A 108 -6.982 -3.407 -1.738 1.00 0.00 H new ATOM 0 HE2 MET A 108 -6.574 -5.138 -1.808 1.00 0.00 H new ATOM 0 HE3 MET A 108 -8.228 -4.598 -2.182 1.00 0.00 H new ATOM 1208 N LEU A 109 -4.344 -4.289 -0.165 1.00 0.00 N ATOM 1209 CA LEU A 109 -3.876 -2.944 0.152 1.00 0.00 C ATOM 1210 C LEU A 109 -5.051 -1.994 0.364 1.00 0.00 C ATOM 1211 O LEU A 109 -5.986 -1.959 -0.435 1.00 0.00 O ATOM 1212 CB LEU A 109 -2.976 -2.418 -0.968 1.00 0.00 C ATOM 1213 CG LEU A 109 -1.795 -3.309 -1.354 1.00 0.00 C ATOM 1214 CD1 LEU A 109 -1.067 -2.737 -2.560 1.00 0.00 C ATOM 1215 CD2 LEU A 109 -0.841 -3.469 -0.179 1.00 0.00 C ATOM 0 H LEU A 109 -4.319 -4.521 -1.158 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.302 -2.995 1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.589 -2.258 -1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.588 -1.444 -0.668 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.179 -4.294 -1.621 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -0.230 -3.384 -2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.754 -2.675 -3.404 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.695 -1.741 -2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.007 -4.106 -0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -0.463 -2.491 0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.369 -3.925 0.659 1.00 0.00 H new ATOM 1227 N HIS A 110 -4.994 -1.224 1.446 1.00 0.00 N ATOM 1228 CA HIS A 110 -6.053 -0.271 1.762 1.00 0.00 C ATOM 1229 C HIS A 110 -5.529 1.161 1.708 1.00 0.00 C ATOM 1230 O HIS A 110 -4.441 1.454 2.204 1.00 0.00 O ATOM 1231 CB HIS A 110 -6.633 -0.562 3.146 1.00 0.00 C ATOM 1232 CG HIS A 110 -7.346 -1.876 3.233 1.00 0.00 C ATOM 1233 ND1 HIS A 110 -7.116 -3.051 2.601 1.00 0.00 N flip ATOM 1234 CD2 HIS A 110 -8.440 -2.087 4.046 1.00 0.00 C flip ATOM 1235 CE1 HIS A 110 -8.065 -3.942 3.040 1.00 0.00 C flip ATOM 1236 NE2 HIS A 110 -8.851 -3.335 3.911 1.00 0.00 N flip ATOM 0 H HIS A 110 -4.227 -1.241 2.118 1.00 0.00 H new ATOM 0 HA HIS A 110 -6.840 -0.380 1.016 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -5.827 -0.546 3.879 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -7.325 0.236 3.416 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -8.890 -1.348 4.692 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -8.154 -4.971 2.724 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -9.642 -3.758 4.397 1.00 0.00 H new ATOM 1245 N VAL A 111 -6.309 2.049 1.100 1.00 0.00 N ATOM 1246 CA VAL A 111 -5.924 3.450 0.981 1.00 0.00 C ATOM 1247 C VAL A 111 -7.004 4.367 1.546 1.00 0.00 C ATOM 1248 O VAL A 111 -8.182 4.238 1.210 1.00 0.00 O ATOM 1249 CB VAL A 111 -5.655 3.835 -0.486 1.00 0.00 C ATOM 1250 CG1 VAL A 111 -4.938 5.175 -0.564 1.00 0.00 C ATOM 1251 CG2 VAL A 111 -4.850 2.749 -1.183 1.00 0.00 C ATOM 0 H VAL A 111 -7.212 1.823 0.682 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.007 3.576 1.556 1.00 0.00 H new ATOM 0 HB VAL A 111 -6.612 3.932 -0.999 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.756 5.430 -1.608 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -5.556 5.946 -0.104 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -3.987 5.110 -0.036 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.669 3.038 -2.218 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -3.897 2.618 -0.671 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.406 1.812 -1.160 1.00 0.00 H new ATOM 1261 N LEU A 112 -6.595 5.293 2.406 1.00 0.00 N ATOM 1262 CA LEU A 112 -7.527 6.233 3.018 1.00 0.00 C ATOM 1263 C LEU A 112 -7.024 7.667 2.880 1.00 0.00 C ATOM 1264 O LEU A 112 -5.835 7.950 3.024 1.00 0.00 O ATOM 1265 CB LEU A 112 -7.729 5.892 4.495 1.00 0.00 C ATOM 1266 CG LEU A 112 -8.687 6.799 5.269 1.00 0.00 C ATOM 1267 CD1 LEU A 112 -10.120 6.312 5.120 1.00 0.00 C ATOM 1268 CD2 LEU A 112 -8.293 6.862 6.737 1.00 0.00 C ATOM 0 H LEU A 112 -5.624 5.413 2.695 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.481 6.151 2.498 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -8.095 4.868 4.564 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.758 5.917 4.989 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.621 7.804 4.853 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -10.787 6.969 5.677 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.399 6.320 4.066 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -10.202 5.297 5.509 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -8.986 7.512 7.272 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.329 5.861 7.167 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.282 7.259 6.826 1.00 0.00 H new ATOM 1280 N PRO A 113 -7.951 8.594 2.595 1.00 0.00 N ATOM 1281 CA PRO A 113 -7.626 10.014 2.434 1.00 0.00 C ATOM 1282 C PRO A 113 -7.231 10.672 3.752 1.00 0.00 C ATOM 1283 O PRO A 113 -7.926 10.533 4.758 1.00 0.00 O ATOM 1284 CB PRO A 113 -8.929 10.618 1.904 1.00 0.00 C ATOM 1285 CG PRO A 113 -9.997 9.702 2.391 1.00 0.00 C ATOM 1286 CD PRO A 113 -9.387 8.327 2.409 1.00 0.00 C ATOM 0 HA PRO A 113 -6.771 10.164 1.775 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -9.076 11.631 2.277 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -8.924 10.677 0.816 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -10.336 9.992 3.386 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -10.867 9.734 1.736 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -9.791 7.719 3.218 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -9.579 7.790 1.480 1.00 0.00 H new ATOM 1294 N SER A 114 -6.112 11.388 3.738 1.00 0.00 N ATOM 1295 CA SER A 114 -5.623 12.065 4.934 1.00 0.00 C ATOM 1296 C SER A 114 -5.204 13.497 4.615 1.00 0.00 C ATOM 1297 O SER A 114 -4.268 13.727 3.849 1.00 0.00 O ATOM 1298 CB SER A 114 -4.442 11.298 5.533 1.00 0.00 C ATOM 1299 OG SER A 114 -4.073 11.832 6.792 1.00 0.00 O ATOM 0 H SER A 114 -5.527 11.515 2.912 1.00 0.00 H new ATOM 0 HA SER A 114 -6.434 12.096 5.661 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.706 10.246 5.644 1.00 0.00 H new ATOM 0 HB3 SER A 114 -3.592 11.343 4.852 1.00 0.00 H new ATOM 0 HG SER A 114 -3.318 11.324 7.154 1.00 0.00 H new ATOM 1305 N THR A 115 -5.905 14.458 5.209 1.00 0.00 N ATOM 1306 CA THR A 115 -5.609 15.868 4.988 1.00 0.00 C ATOM 1307 C THR A 115 -5.375 16.593 6.308 1.00 0.00 C ATOM 1308 O THR A 115 -5.581 16.028 7.383 1.00 0.00 O ATOM 1309 CB THR A 115 -6.748 16.569 4.225 1.00 0.00 C ATOM 1310 OG1 THR A 115 -7.323 15.670 3.269 1.00 0.00 O ATOM 1311 CG2 THR A 115 -6.239 17.814 3.515 1.00 0.00 C ATOM 0 H THR A 115 -6.682 14.285 5.847 1.00 0.00 H new ATOM 0 HA THR A 115 -4.701 15.910 4.387 1.00 0.00 H new ATOM 0 HB THR A 115 -7.509 16.867 4.947 1.00 0.00 H new ATOM 0 HG1 THR A 115 -8.048 16.123 2.789 1.00 0.00 H new ATOM 0 HG21 THR A 115 -7.062 18.292 2.983 1.00 0.00 H new ATOM 0 HG22 THR A 115 -5.829 18.509 4.248 1.00 0.00 H new ATOM 0 HG23 THR A 115 -5.461 17.535 2.804 1.00 0.00 H new ATOM 1319 N ILE A 116 -4.946 17.848 6.221 1.00 0.00 N ATOM 1320 CA ILE A 116 -4.687 18.651 7.409 1.00 0.00 C ATOM 1321 C ILE A 116 -5.875 18.619 8.364 1.00 0.00 C ATOM 1322 O ILE A 116 -6.920 19.212 8.093 1.00 0.00 O ATOM 1323 CB ILE A 116 -4.375 20.114 7.043 1.00 0.00 C ATOM 1324 CG1 ILE A 116 -3.064 20.198 6.258 1.00 0.00 C ATOM 1325 CG2 ILE A 116 -4.304 20.970 8.298 1.00 0.00 C ATOM 1326 CD1 ILE A 116 -3.231 19.952 4.775 1.00 0.00 C ATOM 0 H ILE A 116 -4.771 18.330 5.340 1.00 0.00 H new ATOM 0 HA ILE A 116 -3.817 18.215 7.901 1.00 0.00 H new ATOM 0 HB ILE A 116 -5.178 20.495 6.412 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -2.623 21.184 6.407 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -2.361 19.470 6.662 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -4.083 22.001 8.023 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -5.260 20.931 8.820 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -3.518 20.592 8.952 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -2.262 20.027 4.282 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -3.643 18.955 4.616 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -3.909 20.696 4.357 1.00 0.00 H new ATOM 1338 N LYS A 117 -5.708 17.925 9.485 1.00 0.00 N ATOM 1339 CA LYS A 117 -6.765 17.818 10.483 1.00 0.00 C ATOM 1340 C LYS A 117 -6.788 19.047 11.386 1.00 0.00 C ATOM 1341 O LYS A 117 -5.741 19.537 11.812 1.00 0.00 O ATOM 1342 CB LYS A 117 -6.572 16.556 11.327 1.00 0.00 C ATOM 1343 CG LYS A 117 -5.175 16.420 11.908 1.00 0.00 C ATOM 1344 CD LYS A 117 -5.073 15.228 12.844 1.00 0.00 C ATOM 1345 CE LYS A 117 -4.696 13.960 12.093 1.00 0.00 C ATOM 1346 NZ LYS A 117 -3.222 13.836 11.919 1.00 0.00 N ATOM 0 H LYS A 117 -4.850 17.428 9.725 1.00 0.00 H new ATOM 0 HA LYS A 117 -7.719 17.756 9.959 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -7.296 16.560 12.142 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -6.788 15.682 10.713 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -4.453 16.311 11.099 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -4.914 17.331 12.448 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -4.328 15.431 13.614 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -6.026 15.081 13.353 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -5.072 13.092 12.634 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -5.178 13.960 11.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -3.006 12.959 11.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -2.866 14.651 11.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -2.763 13.810 12.852 1.00 0.00 H new ATOM 1360 N LYS A 118 -7.987 19.541 11.676 1.00 0.00 N ATOM 1361 CA LYS A 118 -8.147 20.711 12.531 1.00 0.00 C ATOM 1362 C LYS A 118 -9.592 20.850 12.999 1.00 0.00 C ATOM 1363 O LYS A 118 -10.524 20.520 12.267 1.00 0.00 O ATOM 1364 CB LYS A 118 -7.718 21.976 11.784 1.00 0.00 C ATOM 1365 CG LYS A 118 -8.590 22.299 10.583 1.00 0.00 C ATOM 1366 CD LYS A 118 -9.760 23.189 10.968 1.00 0.00 C ATOM 1367 CE LYS A 118 -10.686 23.434 9.786 1.00 0.00 C ATOM 1368 NZ LYS A 118 -11.825 24.323 10.148 1.00 0.00 N ATOM 0 H LYS A 118 -8.863 19.149 11.331 1.00 0.00 H new ATOM 0 HA LYS A 118 -7.511 20.580 13.407 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -7.738 22.820 12.474 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -6.686 21.860 11.452 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -7.990 22.794 9.819 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -8.964 21.374 10.144 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -10.320 22.725 11.780 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -9.386 24.142 11.342 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -10.121 23.882 8.969 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -11.070 22.481 9.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -12.432 24.465 9.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -12.380 23.884 10.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -11.459 25.242 10.471 1.00 0.00 H new ATOM 1382 N GLU A 119 -9.769 21.341 14.221 1.00 0.00 N ATOM 1383 CA GLU A 119 -11.101 21.523 14.785 1.00 0.00 C ATOM 1384 C GLU A 119 -11.211 22.869 15.496 1.00 0.00 C ATOM 1385 O GLU A 119 -10.330 23.250 16.266 1.00 0.00 O ATOM 1386 CB GLU A 119 -11.426 20.390 15.761 1.00 0.00 C ATOM 1387 CG GLU A 119 -10.666 20.481 17.073 1.00 0.00 C ATOM 1388 CD GLU A 119 -10.990 19.337 18.015 1.00 0.00 C ATOM 1389 OE1 GLU A 119 -10.909 18.169 17.581 1.00 0.00 O ATOM 1390 OE2 GLU A 119 -11.323 19.611 19.187 1.00 0.00 O ATOM 0 H GLU A 119 -9.007 21.620 14.839 1.00 0.00 H new ATOM 0 HA GLU A 119 -11.820 21.504 13.966 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -12.496 20.397 15.969 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -11.200 19.436 15.285 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -9.595 20.487 16.869 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -10.902 21.427 17.561 1.00 0.00 H new ATOM 1397 N ALA A 120 -12.300 23.584 15.232 1.00 0.00 N ATOM 1398 CA ALA A 120 -12.527 24.885 15.847 1.00 0.00 C ATOM 1399 C ALA A 120 -14.010 25.241 15.849 1.00 0.00 C ATOM 1400 O ALA A 120 -14.811 24.606 15.162 1.00 0.00 O ATOM 1401 CB ALA A 120 -11.726 25.958 15.124 1.00 0.00 C ATOM 0 H ALA A 120 -13.039 23.283 14.596 1.00 0.00 H new ATOM 0 HA ALA A 120 -12.192 24.832 16.883 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -11.905 26.925 15.594 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -10.664 25.719 15.180 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -12.034 26.000 14.079 1.00 0.00 H new ATOM 1407 N SER A 121 -14.369 26.258 16.625 1.00 0.00 N ATOM 1408 CA SER A 121 -15.757 26.695 16.719 1.00 0.00 C ATOM 1409 C SER A 121 -15.940 28.067 16.076 1.00 0.00 C ATOM 1410 O SER A 121 -15.091 28.946 16.214 1.00 0.00 O ATOM 1411 CB SER A 121 -16.201 26.742 18.182 1.00 0.00 C ATOM 1412 OG SER A 121 -17.584 27.033 18.287 1.00 0.00 O ATOM 0 H SER A 121 -13.718 26.795 17.198 1.00 0.00 H new ATOM 0 HA SER A 121 -16.375 25.976 16.182 1.00 0.00 H new ATOM 0 HB2 SER A 121 -15.990 25.785 18.660 1.00 0.00 H new ATOM 0 HB3 SER A 121 -15.626 27.498 18.716 1.00 0.00 H new ATOM 0 HG SER A 121 -17.843 27.056 19.232 1.00 0.00 H new ATOM 1418 N GLN A 122 -17.055 28.240 15.373 1.00 0.00 N ATOM 1419 CA GLN A 122 -17.349 29.503 14.708 1.00 0.00 C ATOM 1420 C GLN A 122 -18.755 29.985 15.052 1.00 0.00 C ATOM 1421 O GLN A 122 -19.746 29.388 14.630 1.00 0.00 O ATOM 1422 CB GLN A 122 -17.205 29.352 13.193 1.00 0.00 C ATOM 1423 CG GLN A 122 -17.470 30.637 12.425 1.00 0.00 C ATOM 1424 CD GLN A 122 -16.391 31.680 12.642 1.00 0.00 C ATOM 1425 OE1 GLN A 122 -16.676 32.917 12.253 1.00 0.00 O flip ATOM 1426 NE2 GLN A 122 -15.313 31.376 13.153 1.00 0.00 N flip ATOM 0 H GLN A 122 -17.769 27.522 15.250 1.00 0.00 H new ATOM 0 HA GLN A 122 -16.634 30.246 15.061 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -16.198 29.004 12.965 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -17.894 28.582 12.846 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -17.543 30.411 11.361 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -18.433 31.047 12.731 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -15.137 30.412 13.437 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -14.596 32.088 13.292 1.00 0.00 H new ATOM 1435 N SER A 123 -18.834 31.067 15.819 1.00 0.00 N ATOM 1436 CA SER A 123 -20.119 31.626 16.223 1.00 0.00 C ATOM 1437 C SER A 123 -20.200 33.109 15.872 1.00 0.00 C ATOM 1438 O SER A 123 -19.745 33.963 16.631 1.00 0.00 O ATOM 1439 CB SER A 123 -20.333 31.433 17.726 1.00 0.00 C ATOM 1440 OG SER A 123 -19.216 31.897 18.464 1.00 0.00 O ATOM 0 H SER A 123 -18.023 31.574 16.173 1.00 0.00 H new ATOM 0 HA SER A 123 -20.904 31.099 15.681 1.00 0.00 H new ATOM 0 HB2 SER A 123 -21.229 31.969 18.041 1.00 0.00 H new ATOM 0 HB3 SER A 123 -20.501 30.378 17.940 1.00 0.00 H new ATOM 0 HG SER A 123 -18.970 32.794 18.156 1.00 0.00 H new ATOM 1446 N GLY A 124 -20.785 33.405 14.715 1.00 0.00 N ATOM 1447 CA GLY A 124 -20.916 34.784 14.283 1.00 0.00 C ATOM 1448 C GLY A 124 -20.879 34.925 12.774 1.00 0.00 C ATOM 1449 O GLY A 124 -20.187 34.181 12.077 1.00 0.00 O ATOM 0 H GLY A 124 -21.170 32.715 14.070 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -21.854 35.192 14.660 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -20.112 35.376 14.720 1.00 0.00 H new ATOM 1453 N PRO A 125 -21.638 35.897 12.247 1.00 0.00 N ATOM 1454 CA PRO A 125 -21.706 36.154 10.806 1.00 0.00 C ATOM 1455 C PRO A 125 -20.408 36.737 10.258 1.00 0.00 C ATOM 1456 O PRO A 125 -20.154 37.935 10.379 1.00 0.00 O ATOM 1457 CB PRO A 125 -22.843 37.172 10.681 1.00 0.00 C ATOM 1458 CG PRO A 125 -22.886 37.856 12.004 1.00 0.00 C ATOM 1459 CD PRO A 125 -22.487 36.820 13.018 1.00 0.00 C ATOM 0 HA PRO A 125 -21.869 35.239 10.237 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -22.653 37.881 9.875 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -23.791 36.682 10.458 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -22.205 38.707 12.026 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -23.884 38.242 12.212 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -21.944 37.263 13.853 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -23.356 36.312 13.437 1.00 0.00 H new ATOM 1467 N SER A 126 -19.588 35.881 9.656 1.00 0.00 N ATOM 1468 CA SER A 126 -18.313 36.311 9.093 1.00 0.00 C ATOM 1469 C SER A 126 -18.131 35.763 7.681 1.00 0.00 C ATOM 1470 O SER A 126 -18.112 34.550 7.471 1.00 0.00 O ATOM 1471 CB SER A 126 -17.158 35.851 9.984 1.00 0.00 C ATOM 1472 OG SER A 126 -17.140 34.440 10.109 1.00 0.00 O ATOM 0 H SER A 126 -19.784 34.886 9.546 1.00 0.00 H new ATOM 0 HA SER A 126 -18.313 37.400 9.044 1.00 0.00 H new ATOM 0 HB2 SER A 126 -16.212 36.194 9.564 1.00 0.00 H new ATOM 0 HB3 SER A 126 -17.252 36.305 10.970 1.00 0.00 H new ATOM 0 HG SER A 126 -16.999 34.197 11.048 1.00 0.00 H new ATOM 1478 N SER A 127 -17.998 36.666 6.715 1.00 0.00 N ATOM 1479 CA SER A 127 -17.821 36.275 5.321 1.00 0.00 C ATOM 1480 C SER A 127 -16.548 35.453 5.145 1.00 0.00 C ATOM 1481 O SER A 127 -15.456 35.893 5.504 1.00 0.00 O ATOM 1482 CB SER A 127 -17.770 37.513 4.424 1.00 0.00 C ATOM 1483 OG SER A 127 -17.571 37.152 3.068 1.00 0.00 O ATOM 0 H SER A 127 -18.009 37.674 6.872 1.00 0.00 H new ATOM 0 HA SER A 127 -18.673 35.660 5.031 1.00 0.00 H new ATOM 0 HB2 SER A 127 -18.699 38.075 4.521 1.00 0.00 H new ATOM 0 HB3 SER A 127 -16.964 38.170 4.751 1.00 0.00 H new ATOM 0 HG SER A 127 -17.544 37.961 2.515 1.00 0.00 H new ATOM 1489 N GLY A 128 -16.696 34.254 4.590 1.00 0.00 N ATOM 1490 CA GLY A 128 -15.551 33.388 4.376 1.00 0.00 C ATOM 1491 C GLY A 128 -15.861 32.239 3.436 1.00 0.00 C ATOM 1492 O GLY A 128 -16.275 32.455 2.297 1.00 0.00 O ATOM 0 H GLY A 128 -17.589 33.867 4.285 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -14.727 33.974 3.969 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -15.216 32.990 5.334 1.00 0.00 H new TER 1496 GLY A 128