USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=28 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 46 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 34:sc= 0.0535 USER MOD Single : A 44 ASN : amide:sc= -2.06! K(o=-2.1!,f=-1.2) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -126:sc= -0.51 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 30:sc=-0.00838 USER MOD Single : A 65 SER OG : rot -59:sc= 0.422 USER MOD Single : A 68 HIS : no HD1:sc= -1.77! C(o=-1.8!,f=-3.8!) USER MOD Single : A 69 TYR OH : rot 151:sc= -0.902 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.103 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+ 149:sc= -0.401 (180deg=-1.11) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl -175:sc= -2.94 (180deg=-3.16) USER MOD Single : A 91 HIS : no HD1:sc= -4.46 X(o=-4.5,f=-4.5!) 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 : amide:sc= -9.68! C(o=-9.7!,f=-9.1!) USER MOD Single : A 105 GLN : amide:sc= -0.0866 K(o=-0.087,f=-2.7!) USER MOD Single : A 108 MET CE :methyl 176:sc= -1.9 (180deg=-2.02) USER MOD Single : A 110 HIS : no HD1:sc= -0.936 K(o=-0.94,f=0) 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+ 171:sc= 0 (180deg=-0.0821) 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 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 30 0.973 32.065 -3.522 1.00 0.00 N ATOM 2 CA GLY A 30 0.468 32.956 -2.494 1.00 0.00 C ATOM 3 C GLY A 30 1.550 33.398 -1.529 1.00 0.00 C ATOM 4 O GLY A 30 2.712 33.539 -1.910 1.00 0.00 O ATOM 0 HA2 GLY A 30 0.024 33.833 -2.964 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.326 32.455 -1.940 1.00 0.00 H new ATOM 8 N SER A 31 1.168 33.620 -0.275 1.00 0.00 N ATOM 9 CA SER A 31 2.113 34.055 0.747 1.00 0.00 C ATOM 10 C SER A 31 2.856 32.863 1.342 1.00 0.00 C ATOM 11 O SER A 31 2.269 32.040 2.045 1.00 0.00 O ATOM 12 CB SER A 31 1.384 34.821 1.853 1.00 0.00 C ATOM 13 OG SER A 31 0.601 35.872 1.315 1.00 0.00 O ATOM 0 H SER A 31 0.211 33.506 0.057 1.00 0.00 H new ATOM 0 HA SER A 31 2.841 34.716 0.277 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.745 34.138 2.413 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.110 35.228 2.557 1.00 0.00 H new ATOM 0 HG SER A 31 0.144 36.345 2.042 1.00 0.00 H new ATOM 19 N SER A 32 4.151 32.778 1.056 1.00 0.00 N ATOM 20 CA SER A 32 4.975 31.685 1.559 1.00 0.00 C ATOM 21 C SER A 32 4.183 30.381 1.598 1.00 0.00 C ATOM 22 O SER A 32 4.251 29.629 2.570 1.00 0.00 O ATOM 23 CB SER A 32 5.502 32.017 2.957 1.00 0.00 C ATOM 24 OG SER A 32 6.387 33.122 2.919 1.00 0.00 O ATOM 0 H SER A 32 4.652 33.453 0.479 1.00 0.00 H new ATOM 0 HA SER A 32 5.819 31.557 0.881 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.666 32.239 3.621 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.016 31.149 3.371 1.00 0.00 H new ATOM 0 HG SER A 32 6.708 33.315 3.824 1.00 0.00 H new ATOM 30 N GLY A 33 3.432 30.120 0.533 1.00 0.00 N ATOM 31 CA GLY A 33 2.637 28.908 0.464 1.00 0.00 C ATOM 32 C GLY A 33 3.428 27.725 -0.057 1.00 0.00 C ATOM 33 O GLY A 33 4.611 27.851 -0.373 1.00 0.00 O ATOM 0 H GLY A 33 3.360 30.727 -0.284 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.250 28.674 1.456 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.776 29.078 -0.182 1.00 0.00 H new ATOM 37 N SER A 34 2.775 26.571 -0.147 1.00 0.00 N ATOM 38 CA SER A 34 3.426 25.359 -0.629 1.00 0.00 C ATOM 39 C SER A 34 2.698 24.797 -1.846 1.00 0.00 C ATOM 40 O SER A 34 3.318 24.469 -2.858 1.00 0.00 O ATOM 41 CB SER A 34 3.476 24.306 0.480 1.00 0.00 C ATOM 42 OG SER A 34 4.306 24.729 1.548 1.00 0.00 O ATOM 0 H SER A 34 1.795 26.450 0.108 1.00 0.00 H new ATOM 0 HA SER A 34 4.444 25.616 -0.923 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.469 24.116 0.851 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.849 23.365 0.076 1.00 0.00 H new ATOM 0 HG SER A 34 4.320 24.040 2.244 1.00 0.00 H new ATOM 48 N SER A 35 1.377 24.690 -1.740 1.00 0.00 N ATOM 49 CA SER A 35 0.563 24.165 -2.830 1.00 0.00 C ATOM 50 C SER A 35 1.076 22.801 -3.283 1.00 0.00 C ATOM 51 O SER A 35 1.238 22.552 -4.477 1.00 0.00 O ATOM 52 CB SER A 35 0.561 25.140 -4.009 1.00 0.00 C ATOM 53 OG SER A 35 -0.220 26.287 -3.720 1.00 0.00 O ATOM 0 H SER A 35 0.848 24.960 -0.911 1.00 0.00 H new ATOM 0 HA SER A 35 -0.457 24.047 -2.465 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.583 25.440 -4.238 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.168 24.643 -4.896 1.00 0.00 H new ATOM 0 HG SER A 35 -0.204 26.896 -4.488 1.00 0.00 H new ATOM 59 N GLY A 36 1.331 21.921 -2.320 1.00 0.00 N ATOM 60 CA GLY A 36 1.823 20.594 -2.639 1.00 0.00 C ATOM 61 C GLY A 36 1.273 19.532 -1.708 1.00 0.00 C ATOM 62 O GLY A 36 2.008 18.659 -1.246 1.00 0.00 O ATOM 0 H GLY A 36 1.206 22.104 -1.324 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.554 20.347 -3.666 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.912 20.591 -2.586 1.00 0.00 H new ATOM 66 N SER A 37 -0.025 19.606 -1.429 1.00 0.00 N ATOM 67 CA SER A 37 -0.672 18.647 -0.542 1.00 0.00 C ATOM 68 C SER A 37 -1.016 17.362 -1.289 1.00 0.00 C ATOM 69 O SER A 37 -1.608 17.397 -2.367 1.00 0.00 O ATOM 70 CB SER A 37 -1.940 19.254 0.062 1.00 0.00 C ATOM 71 OG SER A 37 -2.802 19.746 -0.950 1.00 0.00 O ATOM 0 H SER A 37 -0.649 20.320 -1.805 1.00 0.00 H new ATOM 0 HA SER A 37 0.025 18.405 0.261 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.461 18.501 0.654 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.672 20.064 0.741 1.00 0.00 H new ATOM 0 HG SER A 37 -2.726 19.181 -1.747 1.00 0.00 H new ATOM 77 N GLY A 38 -0.640 16.227 -0.707 1.00 0.00 N ATOM 78 CA GLY A 38 -0.916 14.947 -1.331 1.00 0.00 C ATOM 79 C GLY A 38 -0.580 13.777 -0.428 1.00 0.00 C ATOM 80 O GLY A 38 -0.030 12.773 -0.880 1.00 0.00 O ATOM 0 H GLY A 38 -0.149 16.172 0.185 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.970 14.900 -1.605 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.343 14.865 -2.255 1.00 0.00 H new ATOM 84 N ARG A 39 -0.908 13.907 0.853 1.00 0.00 N ATOM 85 CA ARG A 39 -0.635 12.854 1.823 1.00 0.00 C ATOM 86 C ARG A 39 -1.710 11.772 1.768 1.00 0.00 C ATOM 87 O ARG A 39 -2.902 12.070 1.684 1.00 0.00 O ATOM 88 CB ARG A 39 -0.557 13.438 3.235 1.00 0.00 C ATOM 89 CG ARG A 39 -0.163 12.422 4.294 1.00 0.00 C ATOM 90 CD ARG A 39 0.074 13.085 5.642 1.00 0.00 C ATOM 91 NE ARG A 39 0.024 12.125 6.741 1.00 0.00 N ATOM 92 CZ ARG A 39 0.213 12.454 8.014 1.00 0.00 C ATOM 93 NH1 ARG A 39 0.462 13.713 8.346 1.00 0.00 N ATOM 94 NH2 ARG A 39 0.152 11.523 8.957 1.00 0.00 N ATOM 0 H ARG A 39 -1.364 14.732 1.243 1.00 0.00 H new ATOM 0 HA ARG A 39 0.325 12.403 1.570 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.164 14.255 3.242 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.525 13.865 3.496 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.948 11.672 4.389 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.741 11.900 3.980 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.045 13.580 5.637 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.677 13.859 5.802 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.167 11.148 6.519 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.509 14.431 7.623 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.607 13.963 9.324 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.040 10.554 8.705 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.297 11.777 9.934 1.00 0.00 H new ATOM 108 N LEU A 40 -1.280 10.516 1.815 1.00 0.00 N ATOM 109 CA LEU A 40 -2.205 9.389 1.770 1.00 0.00 C ATOM 110 C LEU A 40 -1.758 8.279 2.716 1.00 0.00 C ATOM 111 O LEU A 40 -0.563 8.035 2.883 1.00 0.00 O ATOM 112 CB LEU A 40 -2.310 8.847 0.344 1.00 0.00 C ATOM 113 CG LEU A 40 -3.040 9.739 -0.661 1.00 0.00 C ATOM 114 CD1 LEU A 40 -2.869 9.202 -2.074 1.00 0.00 C ATOM 115 CD2 LEU A 40 -4.516 9.847 -0.305 1.00 0.00 C ATOM 0 H LEU A 40 -0.297 10.252 1.884 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.185 9.742 2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.302 8.663 -0.029 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.817 7.883 0.380 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.602 10.736 -0.617 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.395 9.849 -2.775 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.809 9.177 -2.328 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.280 8.194 -2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.020 10.485 -1.031 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.967 8.855 -0.320 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.620 10.278 0.691 1.00 0.00 H new ATOM 127 N PHE A 41 -2.725 7.608 3.332 1.00 0.00 N ATOM 128 CA PHE A 41 -2.432 6.523 4.261 1.00 0.00 C ATOM 129 C PHE A 41 -2.649 5.166 3.598 1.00 0.00 C ATOM 130 O PHE A 41 -3.679 4.928 2.967 1.00 0.00 O ATOM 131 CB PHE A 41 -3.309 6.640 5.509 1.00 0.00 C ATOM 132 CG PHE A 41 -3.041 5.573 6.532 1.00 0.00 C ATOM 133 CD1 PHE A 41 -1.792 5.459 7.122 1.00 0.00 C ATOM 134 CD2 PHE A 41 -4.037 4.685 6.904 1.00 0.00 C ATOM 135 CE1 PHE A 41 -1.542 4.479 8.065 1.00 0.00 C ATOM 136 CE2 PHE A 41 -3.793 3.703 7.845 1.00 0.00 C ATOM 137 CZ PHE A 41 -2.544 3.599 8.426 1.00 0.00 C ATOM 0 H PHE A 41 -3.719 7.797 3.205 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.385 6.602 4.553 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.150 7.617 5.965 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -4.357 6.593 5.213 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.005 6.143 6.842 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.016 4.761 6.453 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.565 4.402 8.519 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.578 3.017 8.126 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.351 2.831 9.161 1.00 0.00 H new ATOM 147 N VAL A 42 -1.671 4.278 3.746 1.00 0.00 N ATOM 148 CA VAL A 42 -1.754 2.944 3.163 1.00 0.00 C ATOM 149 C VAL A 42 -1.364 1.875 4.177 1.00 0.00 C ATOM 150 O VAL A 42 -0.463 2.078 4.992 1.00 0.00 O ATOM 151 CB VAL A 42 -0.848 2.816 1.924 1.00 0.00 C ATOM 152 CG1 VAL A 42 -1.070 1.478 1.236 1.00 0.00 C ATOM 153 CG2 VAL A 42 -1.095 3.967 0.961 1.00 0.00 C ATOM 0 H VAL A 42 -0.812 4.458 4.265 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.791 2.794 2.863 1.00 0.00 H new ATOM 0 HB VAL A 42 0.191 2.862 2.250 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.421 1.406 0.363 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.837 0.669 1.929 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.111 1.398 0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.446 3.860 0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.137 3.956 0.640 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.880 4.912 1.460 1.00 0.00 H new ATOM 163 N ARG A 43 -2.047 0.737 4.122 1.00 0.00 N ATOM 164 CA ARG A 43 -1.773 -0.364 5.037 1.00 0.00 C ATOM 165 C ARG A 43 -1.957 -1.709 4.339 1.00 0.00 C ATOM 166 O ARG A 43 -2.437 -1.772 3.208 1.00 0.00 O ATOM 167 CB ARG A 43 -2.689 -0.281 6.258 1.00 0.00 C ATOM 168 CG ARG A 43 -4.119 -0.713 5.977 1.00 0.00 C ATOM 169 CD ARG A 43 -4.884 -0.977 7.265 1.00 0.00 C ATOM 170 NE ARG A 43 -6.125 -1.709 7.023 1.00 0.00 N ATOM 171 CZ ARG A 43 -6.957 -2.083 7.989 1.00 0.00 C ATOM 172 NH1 ARG A 43 -6.682 -1.796 9.254 1.00 0.00 N ATOM 173 NH2 ARG A 43 -8.067 -2.746 7.690 1.00 0.00 N ATOM 0 H ARG A 43 -2.795 0.553 3.453 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.736 -0.282 5.364 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.279 -0.905 7.052 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.694 0.744 6.629 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.628 0.061 5.402 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.114 -1.614 5.364 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.255 -1.545 7.950 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.111 -0.029 7.753 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.366 -1.946 6.060 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.830 -1.287 9.488 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.323 -2.084 9.993 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.282 -2.969 6.718 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.705 -3.033 8.432 1.00 0.00 H new ATOM 187 N ASN A 44 -1.572 -2.782 5.023 1.00 0.00 N ATOM 188 CA ASN A 44 -1.694 -4.126 4.469 1.00 0.00 C ATOM 189 C ASN A 44 -0.625 -4.376 3.410 1.00 0.00 C ATOM 190 O ASN A 44 -0.925 -4.828 2.304 1.00 0.00 O ATOM 191 CB ASN A 44 -3.085 -4.326 3.863 1.00 0.00 C ATOM 192 CG ASN A 44 -3.538 -5.772 3.922 1.00 0.00 C ATOM 193 OD1 ASN A 44 -4.414 -6.128 4.710 1.00 0.00 O ATOM 194 ND2 ASN A 44 -2.942 -6.613 3.085 1.00 0.00 N ATOM 0 H ASN A 44 -1.173 -2.747 5.961 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.552 -4.841 5.279 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.803 -3.701 4.394 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.078 -3.992 2.825 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.206 -7.598 3.078 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -2.221 -6.274 2.449 1.00 0.00 H new ATOM 201 N LEU A 45 0.623 -4.081 3.756 1.00 0.00 N ATOM 202 CA LEU A 45 1.738 -4.275 2.836 1.00 0.00 C ATOM 203 C LEU A 45 2.371 -5.649 3.029 1.00 0.00 C ATOM 204 O LEU A 45 2.348 -6.205 4.127 1.00 0.00 O ATOM 205 CB LEU A 45 2.790 -3.183 3.040 1.00 0.00 C ATOM 206 CG LEU A 45 2.571 -1.886 2.261 1.00 0.00 C ATOM 207 CD1 LEU A 45 2.728 -2.127 0.768 1.00 0.00 C ATOM 208 CD2 LEU A 45 1.198 -1.304 2.568 1.00 0.00 C ATOM 0 H LEU A 45 0.888 -3.707 4.667 1.00 0.00 H new ATOM 0 HA LEU A 45 1.352 -4.213 1.819 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.834 -2.942 4.102 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.764 -3.589 2.765 1.00 0.00 H new ATOM 0 HG LEU A 45 3.327 -1.165 2.573 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.569 -1.193 0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.733 -2.497 0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.996 -2.864 0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.060 -0.381 2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.427 -2.021 2.285 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.123 -1.093 3.635 1.00 0.00 H new ATOM 220 N SER A 46 2.938 -6.191 1.955 1.00 0.00 N ATOM 221 CA SER A 46 3.576 -7.501 2.007 1.00 0.00 C ATOM 222 C SER A 46 5.007 -7.388 2.525 1.00 0.00 C ATOM 223 O SER A 46 5.863 -6.774 1.888 1.00 0.00 O ATOM 224 CB SER A 46 3.573 -8.147 0.620 1.00 0.00 C ATOM 225 OG SER A 46 3.541 -9.561 0.716 1.00 0.00 O ATOM 0 H SER A 46 2.968 -5.743 1.039 1.00 0.00 H new ATOM 0 HA SER A 46 3.008 -8.128 2.694 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.709 -7.798 0.055 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.461 -7.837 0.069 1.00 0.00 H new ATOM 0 HG SER A 46 3.538 -9.950 -0.183 1.00 0.00 H new ATOM 231 N TYR A 47 5.258 -7.985 3.684 1.00 0.00 N ATOM 232 CA TYR A 47 6.583 -7.951 4.291 1.00 0.00 C ATOM 233 C TYR A 47 7.668 -8.174 3.242 1.00 0.00 C ATOM 234 O TYR A 47 8.685 -7.480 3.224 1.00 0.00 O ATOM 235 CB TYR A 47 6.693 -9.011 5.388 1.00 0.00 C ATOM 236 CG TYR A 47 5.421 -9.191 6.186 1.00 0.00 C ATOM 237 CD1 TYR A 47 5.027 -8.245 7.124 1.00 0.00 C ATOM 238 CD2 TYR A 47 4.613 -10.306 6.000 1.00 0.00 C ATOM 239 CE1 TYR A 47 3.866 -8.406 7.856 1.00 0.00 C ATOM 240 CE2 TYR A 47 3.450 -10.474 6.726 1.00 0.00 C ATOM 241 CZ TYR A 47 3.081 -9.522 7.653 1.00 0.00 C ATOM 242 OH TYR A 47 1.923 -9.685 8.379 1.00 0.00 O ATOM 0 H TYR A 47 4.561 -8.499 4.223 1.00 0.00 H new ATOM 0 HA TYR A 47 6.727 -6.965 4.733 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.965 -9.964 4.935 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.502 -8.738 6.066 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.638 -7.369 7.284 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.899 -11.054 5.275 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.575 -7.662 8.583 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.833 -11.346 6.569 1.00 0.00 H new ATOM 0 HH TYR A 47 1.486 -10.522 8.115 1.00 0.00 H new ATOM 252 N THR A 48 7.444 -9.149 2.366 1.00 0.00 N ATOM 253 CA THR A 48 8.401 -9.466 1.313 1.00 0.00 C ATOM 254 C THR A 48 8.703 -8.241 0.458 1.00 0.00 C ATOM 255 O THR A 48 9.835 -8.046 0.015 1.00 0.00 O ATOM 256 CB THR A 48 7.882 -10.597 0.405 1.00 0.00 C ATOM 257 OG1 THR A 48 6.734 -10.151 -0.325 1.00 0.00 O ATOM 258 CG2 THR A 48 7.524 -11.827 1.224 1.00 0.00 C ATOM 0 H THR A 48 6.608 -9.733 2.365 1.00 0.00 H new ATOM 0 HA THR A 48 9.316 -9.796 1.805 1.00 0.00 H new ATOM 0 HB THR A 48 8.674 -10.865 -0.294 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.411 -10.875 -0.901 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.160 -12.612 0.561 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.408 -12.181 1.754 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.747 -11.571 1.944 1.00 0.00 H new ATOM 266 N SER A 49 7.685 -7.417 0.231 1.00 0.00 N ATOM 267 CA SER A 49 7.841 -6.212 -0.574 1.00 0.00 C ATOM 268 C SER A 49 8.891 -5.286 0.033 1.00 0.00 C ATOM 269 O SER A 49 9.067 -5.243 1.250 1.00 0.00 O ATOM 270 CB SER A 49 6.505 -5.477 -0.696 1.00 0.00 C ATOM 271 OG SER A 49 5.527 -6.296 -1.312 1.00 0.00 O ATOM 0 H SER A 49 6.743 -7.562 0.594 1.00 0.00 H new ATOM 0 HA SER A 49 8.175 -6.510 -1.568 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.161 -5.175 0.293 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.640 -4.565 -1.278 1.00 0.00 H new ATOM 0 HG SER A 49 5.138 -5.822 -2.077 1.00 0.00 H new ATOM 277 N SER A 50 9.585 -4.545 -0.825 1.00 0.00 N ATOM 278 CA SER A 50 10.620 -3.622 -0.375 1.00 0.00 C ATOM 279 C SER A 50 10.236 -2.180 -0.692 1.00 0.00 C ATOM 280 O SER A 50 9.436 -1.922 -1.591 1.00 0.00 O ATOM 281 CB SER A 50 11.958 -3.962 -1.034 1.00 0.00 C ATOM 282 OG SER A 50 12.402 -5.252 -0.652 1.00 0.00 O ATOM 0 H SER A 50 9.449 -4.566 -1.836 1.00 0.00 H new ATOM 0 HA SER A 50 10.719 -3.725 0.706 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.855 -3.916 -2.118 1.00 0.00 H new ATOM 0 HB3 SER A 50 12.704 -3.219 -0.753 1.00 0.00 H new ATOM 0 HG SER A 50 13.258 -5.446 -1.088 1.00 0.00 H new ATOM 288 N GLU A 51 10.813 -1.243 0.055 1.00 0.00 N ATOM 289 CA GLU A 51 10.531 0.174 -0.146 1.00 0.00 C ATOM 290 C GLU A 51 10.475 0.512 -1.632 1.00 0.00 C ATOM 291 O GLU A 51 9.589 1.239 -2.080 1.00 0.00 O ATOM 292 CB GLU A 51 11.595 1.031 0.544 1.00 0.00 C ATOM 293 CG GLU A 51 11.143 2.454 0.822 1.00 0.00 C ATOM 294 CD GLU A 51 12.124 3.219 1.690 1.00 0.00 C ATOM 295 OE1 GLU A 51 13.339 2.943 1.595 1.00 0.00 O ATOM 296 OE2 GLU A 51 11.678 4.092 2.463 1.00 0.00 O ATOM 0 H GLU A 51 11.477 -1.439 0.804 1.00 0.00 H new ATOM 0 HA GLU A 51 9.558 0.391 0.295 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.877 0.558 1.485 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.489 1.058 -0.080 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.012 2.981 -0.123 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.170 2.433 1.312 1.00 0.00 H new ATOM 303 N GLU A 52 11.427 -0.021 -2.392 1.00 0.00 N ATOM 304 CA GLU A 52 11.486 0.226 -3.827 1.00 0.00 C ATOM 305 C GLU A 52 10.184 -0.192 -4.505 1.00 0.00 C ATOM 306 O GLU A 52 9.574 0.589 -5.236 1.00 0.00 O ATOM 307 CB GLU A 52 12.663 -0.528 -4.449 1.00 0.00 C ATOM 308 CG GLU A 52 12.882 -0.210 -5.919 1.00 0.00 C ATOM 309 CD GLU A 52 14.275 -0.573 -6.393 1.00 0.00 C ATOM 310 OE1 GLU A 52 14.603 -1.778 -6.408 1.00 0.00 O ATOM 311 OE2 GLU A 52 15.039 0.349 -6.751 1.00 0.00 O ATOM 0 H GLU A 52 12.167 -0.626 -2.037 1.00 0.00 H new ATOM 0 HA GLU A 52 11.628 1.296 -3.980 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.571 -0.288 -3.895 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.496 -1.599 -4.339 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.147 -0.749 -6.517 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.711 0.853 -6.086 1.00 0.00 H new ATOM 318 N ASP A 53 9.767 -1.429 -4.258 1.00 0.00 N ATOM 319 CA ASP A 53 8.538 -1.952 -4.844 1.00 0.00 C ATOM 320 C ASP A 53 7.401 -0.944 -4.711 1.00 0.00 C ATOM 321 O ASP A 53 6.676 -0.680 -5.672 1.00 0.00 O ATOM 322 CB ASP A 53 8.148 -3.270 -4.172 1.00 0.00 C ATOM 323 CG ASP A 53 7.401 -4.198 -5.109 1.00 0.00 C ATOM 324 OD1 ASP A 53 7.449 -3.968 -6.335 1.00 0.00 O ATOM 325 OD2 ASP A 53 6.769 -5.156 -4.615 1.00 0.00 O ATOM 0 H ASP A 53 10.261 -2.088 -3.656 1.00 0.00 H new ATOM 0 HA ASP A 53 8.718 -2.132 -5.904 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.046 -3.770 -3.810 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.527 -3.061 -3.301 1.00 0.00 H new ATOM 330 N LEU A 54 7.249 -0.384 -3.516 1.00 0.00 N ATOM 331 CA LEU A 54 6.199 0.595 -3.257 1.00 0.00 C ATOM 332 C LEU A 54 6.372 1.826 -4.142 1.00 0.00 C ATOM 333 O LEU A 54 5.434 2.255 -4.813 1.00 0.00 O ATOM 334 CB LEU A 54 6.210 1.007 -1.784 1.00 0.00 C ATOM 335 CG LEU A 54 5.536 0.038 -0.812 1.00 0.00 C ATOM 336 CD1 LEU A 54 5.716 0.510 0.623 1.00 0.00 C ATOM 337 CD2 LEU A 54 4.058 -0.110 -1.145 1.00 0.00 C ATOM 0 H LEU A 54 7.840 -0.591 -2.711 1.00 0.00 H new ATOM 0 HA LEU A 54 5.240 0.133 -3.492 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.246 1.141 -1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.722 1.978 -1.695 1.00 0.00 H new ATOM 0 HG LEU A 54 6.011 -0.938 -0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.230 -0.192 1.301 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.779 0.564 0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.268 1.497 0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.595 -0.803 -0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.569 0.862 -1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.950 -0.494 -2.159 1.00 0.00 H new ATOM 349 N GLU A 55 7.577 2.387 -4.138 1.00 0.00 N ATOM 350 CA GLU A 55 7.872 3.567 -4.942 1.00 0.00 C ATOM 351 C GLU A 55 7.403 3.376 -6.382 1.00 0.00 C ATOM 352 O GLU A 55 6.626 4.175 -6.905 1.00 0.00 O ATOM 353 CB GLU A 55 9.373 3.865 -4.919 1.00 0.00 C ATOM 354 CG GLU A 55 9.818 4.654 -3.698 1.00 0.00 C ATOM 355 CD GLU A 55 11.327 4.752 -3.585 1.00 0.00 C ATOM 356 OE1 GLU A 55 11.991 4.904 -4.632 1.00 0.00 O ATOM 357 OE2 GLU A 55 11.843 4.676 -2.451 1.00 0.00 O ATOM 0 H GLU A 55 8.364 2.044 -3.587 1.00 0.00 H new ATOM 0 HA GLU A 55 7.334 4.412 -4.512 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.922 2.924 -4.953 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.638 4.422 -5.818 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.395 5.657 -3.745 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.420 4.182 -2.800 1.00 0.00 H new ATOM 364 N LYS A 56 7.881 2.312 -7.017 1.00 0.00 N ATOM 365 CA LYS A 56 7.511 2.013 -8.396 1.00 0.00 C ATOM 366 C LYS A 56 5.999 1.869 -8.534 1.00 0.00 C ATOM 367 O LYS A 56 5.387 2.461 -9.425 1.00 0.00 O ATOM 368 CB LYS A 56 8.202 0.731 -8.864 1.00 0.00 C ATOM 369 CG LYS A 56 9.716 0.782 -8.759 1.00 0.00 C ATOM 370 CD LYS A 56 10.305 -0.596 -8.510 1.00 0.00 C ATOM 371 CE LYS A 56 9.948 -1.564 -9.628 1.00 0.00 C ATOM 372 NZ LYS A 56 10.995 -2.608 -9.812 1.00 0.00 N ATOM 0 H LYS A 56 8.526 1.641 -6.599 1.00 0.00 H new ATOM 0 HA LYS A 56 7.837 2.843 -9.022 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.833 -0.107 -8.272 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.925 0.536 -9.900 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.131 1.195 -9.678 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.003 1.453 -7.949 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.389 -0.520 -8.425 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.938 -0.984 -7.560 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.994 -2.042 -9.404 1.00 0.00 H new ATOM 0 HE3 LYS A 56 9.818 -1.012 -10.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 10.715 -3.248 -10.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.900 -2.154 -10.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.102 -3.152 -8.932 1.00 0.00 H new ATOM 386 N LEU A 57 5.401 1.079 -7.649 1.00 0.00 N ATOM 387 CA LEU A 57 3.959 0.858 -7.671 1.00 0.00 C ATOM 388 C LEU A 57 3.207 2.181 -7.777 1.00 0.00 C ATOM 389 O LEU A 57 2.532 2.446 -8.772 1.00 0.00 O ATOM 390 CB LEU A 57 3.519 0.107 -6.414 1.00 0.00 C ATOM 391 CG LEU A 57 2.020 0.121 -6.114 1.00 0.00 C ATOM 392 CD1 LEU A 57 1.258 -0.674 -7.163 1.00 0.00 C ATOM 393 CD2 LEU A 57 1.749 -0.432 -4.722 1.00 0.00 C ATOM 0 H LEU A 57 5.892 0.581 -6.907 1.00 0.00 H new ATOM 0 HA LEU A 57 3.722 0.255 -8.548 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.842 -0.930 -6.503 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.044 0.532 -5.559 1.00 0.00 H new ATOM 0 HG LEU A 57 1.672 1.154 -6.147 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.193 -0.653 -6.933 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.426 -0.234 -8.146 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.609 -1.706 -7.163 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.677 -0.414 -4.526 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.112 -1.458 -4.661 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.264 0.180 -3.981 1.00 0.00 H new ATOM 405 N PHE A 58 3.330 3.009 -6.745 1.00 0.00 N ATOM 406 CA PHE A 58 2.662 4.305 -6.722 1.00 0.00 C ATOM 407 C PHE A 58 3.235 5.231 -7.790 1.00 0.00 C ATOM 408 O PHE A 58 2.514 5.706 -8.668 1.00 0.00 O ATOM 409 CB PHE A 58 2.804 4.951 -5.342 1.00 0.00 C ATOM 410 CG PHE A 58 2.053 4.227 -4.261 1.00 0.00 C ATOM 411 CD1 PHE A 58 0.669 4.167 -4.282 1.00 0.00 C ATOM 412 CD2 PHE A 58 2.732 3.606 -3.225 1.00 0.00 C ATOM 413 CE1 PHE A 58 -0.024 3.502 -3.288 1.00 0.00 C ATOM 414 CE2 PHE A 58 2.044 2.939 -2.228 1.00 0.00 C ATOM 415 CZ PHE A 58 0.664 2.886 -2.261 1.00 0.00 C ATOM 0 H PHE A 58 3.886 2.806 -5.914 1.00 0.00 H new ATOM 0 HA PHE A 58 1.605 4.145 -6.934 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.860 4.991 -5.075 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.449 5.980 -5.393 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.126 4.645 -5.084 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.811 3.643 -3.196 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.103 3.464 -3.314 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.585 2.460 -1.425 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.124 2.364 -1.485 1.00 0.00 H new ATOM 425 N SER A 59 4.538 5.485 -7.709 1.00 0.00 N ATOM 426 CA SER A 59 5.208 6.357 -8.666 1.00 0.00 C ATOM 427 C SER A 59 4.597 6.210 -10.056 1.00 0.00 C ATOM 428 O SER A 59 4.349 7.200 -10.744 1.00 0.00 O ATOM 429 CB SER A 59 6.704 6.039 -8.717 1.00 0.00 C ATOM 430 OG SER A 59 7.364 6.845 -9.677 1.00 0.00 O ATOM 0 H SER A 59 5.150 5.099 -6.990 1.00 0.00 H new ATOM 0 HA SER A 59 5.074 7.387 -8.337 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.147 6.202 -7.735 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.847 4.986 -8.961 1.00 0.00 H new ATOM 0 HG SER A 59 8.319 6.624 -9.689 1.00 0.00 H new ATOM 436 N ALA A 60 4.357 4.968 -10.461 1.00 0.00 N ATOM 437 CA ALA A 60 3.774 4.690 -11.768 1.00 0.00 C ATOM 438 C ALA A 60 2.683 5.700 -12.108 1.00 0.00 C ATOM 439 O ALA A 60 2.675 6.277 -13.195 1.00 0.00 O ATOM 440 CB ALA A 60 3.216 3.275 -11.806 1.00 0.00 C ATOM 0 H ALA A 60 4.557 4.138 -9.903 1.00 0.00 H new ATOM 0 HA ALA A 60 4.561 4.779 -12.517 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.784 3.081 -12.788 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.018 2.562 -11.615 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.446 3.167 -11.042 1.00 0.00 H new ATOM 446 N TYR A 61 1.763 5.908 -11.172 1.00 0.00 N ATOM 447 CA TYR A 61 0.666 6.847 -11.375 1.00 0.00 C ATOM 448 C TYR A 61 1.192 8.265 -11.572 1.00 0.00 C ATOM 449 O TYR A 61 0.763 8.978 -12.479 1.00 0.00 O ATOM 450 CB TYR A 61 -0.293 6.807 -10.183 1.00 0.00 C ATOM 451 CG TYR A 61 -1.141 5.557 -10.130 1.00 0.00 C ATOM 452 CD1 TYR A 61 -0.700 4.422 -9.461 1.00 0.00 C ATOM 453 CD2 TYR A 61 -2.385 5.511 -10.748 1.00 0.00 C ATOM 454 CE1 TYR A 61 -1.472 3.277 -9.411 1.00 0.00 C ATOM 455 CE2 TYR A 61 -3.164 4.371 -10.702 1.00 0.00 C ATOM 456 CZ TYR A 61 -2.703 3.257 -10.032 1.00 0.00 C ATOM 457 OH TYR A 61 -3.475 2.119 -9.983 1.00 0.00 O ATOM 0 H TYR A 61 1.755 5.439 -10.266 1.00 0.00 H new ATOM 0 HA TYR A 61 0.129 6.551 -12.276 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.283 6.884 -9.261 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.947 7.678 -10.224 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.263 4.435 -8.972 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -2.749 6.382 -11.273 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -1.113 2.403 -8.888 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -4.128 4.352 -11.188 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.290 1.634 -9.152 1.00 0.00 H new ATOM 467 N GLY A 62 2.125 8.668 -10.715 1.00 0.00 N ATOM 468 CA GLY A 62 2.695 9.999 -10.811 1.00 0.00 C ATOM 469 C GLY A 62 3.938 10.160 -9.958 1.00 0.00 C ATOM 470 O GLY A 62 4.343 9.250 -9.235 1.00 0.00 O ATOM 0 H GLY A 62 2.496 8.097 -9.956 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.942 10.211 -11.851 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.950 10.733 -10.504 1.00 0.00 H new ATOM 474 N PRO A 63 4.567 11.342 -10.040 1.00 0.00 N ATOM 475 CA PRO A 63 5.781 11.647 -9.277 1.00 0.00 C ATOM 476 C PRO A 63 5.509 11.784 -7.783 1.00 0.00 C ATOM 477 O PRO A 63 4.620 12.531 -7.370 1.00 0.00 O ATOM 478 CB PRO A 63 6.241 12.985 -9.862 1.00 0.00 C ATOM 479 CG PRO A 63 5.001 13.609 -10.402 1.00 0.00 C ATOM 480 CD PRO A 63 4.141 12.472 -10.882 1.00 0.00 C ATOM 0 HA PRO A 63 6.523 10.853 -9.358 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.700 13.613 -9.099 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.985 12.840 -10.646 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.489 14.188 -9.634 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.232 14.295 -11.217 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.080 12.690 -10.756 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.301 12.267 -11.941 1.00 0.00 H new ATOM 488 N LEU A 64 6.278 11.060 -6.978 1.00 0.00 N ATOM 489 CA LEU A 64 6.119 11.102 -5.528 1.00 0.00 C ATOM 490 C LEU A 64 6.978 12.205 -4.918 1.00 0.00 C ATOM 491 O LEU A 64 7.898 12.715 -5.557 1.00 0.00 O ATOM 492 CB LEU A 64 6.493 9.751 -4.915 1.00 0.00 C ATOM 493 CG LEU A 64 5.692 8.546 -5.407 1.00 0.00 C ATOM 494 CD1 LEU A 64 6.387 7.249 -5.023 1.00 0.00 C ATOM 495 CD2 LEU A 64 4.277 8.581 -4.847 1.00 0.00 C ATOM 0 H LEU A 64 7.017 10.437 -7.304 1.00 0.00 H new ATOM 0 HA LEU A 64 5.073 11.317 -5.308 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.549 9.565 -5.112 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.378 9.821 -3.833 1.00 0.00 H new ATOM 0 HG LEU A 64 5.633 8.594 -6.494 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.802 6.402 -5.382 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.379 7.221 -5.473 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.479 7.193 -3.938 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.721 7.715 -5.208 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.316 8.559 -3.758 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.779 9.494 -5.174 1.00 0.00 H new ATOM 507 N SER A 65 6.671 12.568 -3.676 1.00 0.00 N ATOM 508 CA SER A 65 7.414 13.612 -2.979 1.00 0.00 C ATOM 509 C SER A 65 8.215 13.027 -1.820 1.00 0.00 C ATOM 510 O SER A 65 9.406 13.300 -1.675 1.00 0.00 O ATOM 511 CB SER A 65 6.458 14.688 -2.462 1.00 0.00 C ATOM 512 OG SER A 65 5.802 14.263 -1.280 1.00 0.00 O ATOM 0 H SER A 65 5.913 12.155 -3.132 1.00 0.00 H new ATOM 0 HA SER A 65 8.109 14.064 -3.687 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.012 15.606 -2.264 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.719 14.920 -3.228 1.00 0.00 H new ATOM 0 HG SER A 65 5.299 13.442 -1.462 1.00 0.00 H new ATOM 518 N GLU A 66 7.550 12.222 -0.997 1.00 0.00 N ATOM 519 CA GLU A 66 8.200 11.600 0.151 1.00 0.00 C ATOM 520 C GLU A 66 7.539 10.268 0.494 1.00 0.00 C ATOM 521 O GLU A 66 6.325 10.110 0.356 1.00 0.00 O ATOM 522 CB GLU A 66 8.150 12.533 1.362 1.00 0.00 C ATOM 523 CG GLU A 66 8.785 11.945 2.611 1.00 0.00 C ATOM 524 CD GLU A 66 10.278 12.202 2.683 1.00 0.00 C ATOM 525 OE1 GLU A 66 10.667 13.337 3.028 1.00 0.00 O ATOM 526 OE2 GLU A 66 11.055 11.269 2.393 1.00 0.00 O ATOM 0 H GLU A 66 6.564 11.986 -1.103 1.00 0.00 H new ATOM 0 HA GLU A 66 9.241 11.413 -0.111 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.656 13.466 1.112 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.110 12.781 1.576 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.304 12.369 3.493 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.604 10.870 2.635 1.00 0.00 H new ATOM 533 N LEU A 67 8.345 9.312 0.941 1.00 0.00 N ATOM 534 CA LEU A 67 7.840 7.992 1.304 1.00 0.00 C ATOM 535 C LEU A 67 8.197 7.650 2.747 1.00 0.00 C ATOM 536 O LEU A 67 9.232 8.079 3.260 1.00 0.00 O ATOM 537 CB LEU A 67 8.407 6.930 0.360 1.00 0.00 C ATOM 538 CG LEU A 67 7.828 5.522 0.508 1.00 0.00 C ATOM 539 CD1 LEU A 67 6.480 5.424 -0.188 1.00 0.00 C ATOM 540 CD2 LEU A 67 8.795 4.487 -0.047 1.00 0.00 C ATOM 0 H LEU A 67 9.352 9.426 1.061 1.00 0.00 H new ATOM 0 HA LEU A 67 6.754 8.008 1.212 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.246 7.261 -0.666 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.485 6.876 0.512 1.00 0.00 H new ATOM 0 HG LEU A 67 7.681 5.319 1.569 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.083 4.415 -0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.788 6.139 0.257 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.601 5.647 -1.248 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.367 3.491 0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.975 4.686 -1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.738 4.541 0.498 1.00 0.00 H new ATOM 552 N HIS A 68 7.336 6.873 3.396 1.00 0.00 N ATOM 553 CA HIS A 68 7.562 6.470 4.780 1.00 0.00 C ATOM 554 C HIS A 68 7.338 4.971 4.953 1.00 0.00 C ATOM 555 O HIS A 68 6.199 4.509 5.025 1.00 0.00 O ATOM 556 CB HIS A 68 6.639 7.248 5.717 1.00 0.00 C ATOM 557 CG HIS A 68 6.755 6.835 7.152 1.00 0.00 C ATOM 558 ND1 HIS A 68 6.083 5.754 7.681 1.00 0.00 N ATOM 559 CD2 HIS A 68 7.474 7.364 8.170 1.00 0.00 C ATOM 560 CE1 HIS A 68 6.381 5.637 8.963 1.00 0.00 C ATOM 561 NE2 HIS A 68 7.224 6.602 9.284 1.00 0.00 N ATOM 0 H HIS A 68 6.475 6.510 2.986 1.00 0.00 H new ATOM 0 HA HIS A 68 8.598 6.696 5.034 1.00 0.00 H new ATOM 0 HB2 HIS A 68 6.864 8.311 5.634 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.607 7.114 5.391 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.123 8.225 8.116 1.00 0.00 H new ATOM 0 HE1 HIS A 68 6.000 4.881 9.634 1.00 0.00 H new ATOM 0 HE2 HIS A 68 7.624 6.756 10.209 1.00 0.00 H new ATOM 570 N TYR A 69 8.430 4.218 5.019 1.00 0.00 N ATOM 571 CA TYR A 69 8.351 2.771 5.180 1.00 0.00 C ATOM 572 C TYR A 69 8.971 2.336 6.505 1.00 0.00 C ATOM 573 O TYR A 69 10.179 2.123 6.614 1.00 0.00 O ATOM 574 CB TYR A 69 9.057 2.068 4.019 1.00 0.00 C ATOM 575 CG TYR A 69 8.539 0.673 3.751 1.00 0.00 C ATOM 576 CD1 TYR A 69 7.175 0.423 3.661 1.00 0.00 C ATOM 577 CD2 TYR A 69 9.413 -0.395 3.590 1.00 0.00 C ATOM 578 CE1 TYR A 69 6.698 -0.851 3.417 1.00 0.00 C ATOM 579 CE2 TYR A 69 8.945 -1.671 3.344 1.00 0.00 C ATOM 580 CZ TYR A 69 7.586 -1.894 3.259 1.00 0.00 C ATOM 581 OH TYR A 69 7.115 -3.163 3.016 1.00 0.00 O ATOM 0 H TYR A 69 9.380 4.585 4.964 1.00 0.00 H new ATOM 0 HA TYR A 69 7.298 2.488 5.181 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.941 2.669 3.117 1.00 0.00 H new ATOM 0 HB3 TYR A 69 10.125 2.015 4.232 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.476 1.237 3.784 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.477 -0.224 3.658 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.635 -1.029 3.350 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.639 -2.489 3.219 1.00 0.00 H new ATOM 0 HH TYR A 69 7.776 -3.663 2.494 1.00 0.00 H new ATOM 591 N PRO A 70 8.125 2.201 7.537 1.00 0.00 N ATOM 592 CA PRO A 70 8.565 1.789 8.873 1.00 0.00 C ATOM 593 C PRO A 70 9.005 0.330 8.914 1.00 0.00 C ATOM 594 O PRO A 70 8.472 -0.510 8.188 1.00 0.00 O ATOM 595 CB PRO A 70 7.319 1.997 9.737 1.00 0.00 C ATOM 596 CG PRO A 70 6.177 1.888 8.787 1.00 0.00 C ATOM 597 CD PRO A 70 6.673 2.438 7.478 1.00 0.00 C ATOM 0 HA PRO A 70 9.433 2.357 9.209 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.253 1.245 10.524 1.00 0.00 H new ATOM 0 HB3 PRO A 70 7.335 2.971 10.227 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.857 0.852 8.679 1.00 0.00 H new ATOM 0 HG3 PRO A 70 5.316 2.452 9.146 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.217 1.928 6.629 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.443 3.498 7.375 1.00 0.00 H new ATOM 605 N ILE A 71 9.978 0.034 9.769 1.00 0.00 N ATOM 606 CA ILE A 71 10.487 -1.325 9.906 1.00 0.00 C ATOM 607 C ILE A 71 10.845 -1.635 11.355 1.00 0.00 C ATOM 608 O ILE A 71 11.361 -0.780 12.075 1.00 0.00 O ATOM 609 CB ILE A 71 11.729 -1.553 9.023 1.00 0.00 C ATOM 610 CG1 ILE A 71 11.405 -1.243 7.560 1.00 0.00 C ATOM 611 CG2 ILE A 71 12.228 -2.983 9.169 1.00 0.00 C ATOM 612 CD1 ILE A 71 10.521 -2.281 6.904 1.00 0.00 C ATOM 0 H ILE A 71 10.430 0.717 10.377 1.00 0.00 H new ATOM 0 HA ILE A 71 9.691 -1.994 9.580 1.00 0.00 H new ATOM 0 HB ILE A 71 12.519 -0.878 9.352 1.00 0.00 H new ATOM 0 HG12 ILE A 71 10.914 -0.271 7.503 1.00 0.00 H new ATOM 0 HG13 ILE A 71 12.336 -1.164 6.999 1.00 0.00 H new ATOM 0 HG21 ILE A 71 13.106 -3.128 8.539 1.00 0.00 H new ATOM 0 HG22 ILE A 71 12.493 -3.171 10.209 1.00 0.00 H new ATOM 0 HG23 ILE A 71 11.443 -3.675 8.863 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.333 -1.997 5.869 1.00 0.00 H new ATOM 0 HD12 ILE A 71 11.018 -3.251 6.929 1.00 0.00 H new ATOM 0 HD13 ILE A 71 9.575 -2.345 7.441 1.00 0.00 H new ATOM 624 N ASP A 72 10.569 -2.864 11.777 1.00 0.00 N ATOM 625 CA ASP A 72 10.864 -3.289 13.141 1.00 0.00 C ATOM 626 C ASP A 72 12.368 -3.421 13.355 1.00 0.00 C ATOM 627 O ASP A 72 13.107 -3.780 12.438 1.00 0.00 O ATOM 628 CB ASP A 72 10.174 -4.620 13.443 1.00 0.00 C ATOM 629 CG ASP A 72 9.813 -4.765 14.908 1.00 0.00 C ATOM 630 OD1 ASP A 72 10.717 -4.628 15.758 1.00 0.00 O ATOM 631 OD2 ASP A 72 8.626 -5.017 15.205 1.00 0.00 O ATOM 0 H ASP A 72 10.141 -3.584 11.194 1.00 0.00 H new ATOM 0 HA ASP A 72 10.484 -2.529 13.823 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.270 -4.703 12.839 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.829 -5.440 13.150 1.00 0.00 H new ATOM 636 N SER A 73 12.815 -3.127 14.572 1.00 0.00 N ATOM 637 CA SER A 73 14.233 -3.207 14.906 1.00 0.00 C ATOM 638 C SER A 73 14.615 -4.627 15.312 1.00 0.00 C ATOM 639 O SER A 73 15.794 -4.943 15.476 1.00 0.00 O ATOM 640 CB SER A 73 14.568 -2.233 16.036 1.00 0.00 C ATOM 641 OG SER A 73 14.708 -0.911 15.546 1.00 0.00 O ATOM 0 H SER A 73 12.216 -2.831 15.343 1.00 0.00 H new ATOM 0 HA SER A 73 14.806 -2.934 14.020 1.00 0.00 H new ATOM 0 HB2 SER A 73 13.782 -2.263 16.791 1.00 0.00 H new ATOM 0 HB3 SER A 73 15.492 -2.542 16.525 1.00 0.00 H new ATOM 0 HG SER A 73 14.920 -0.308 16.289 1.00 0.00 H new ATOM 647 N LEU A 74 13.610 -5.481 15.473 1.00 0.00 N ATOM 648 CA LEU A 74 13.838 -6.868 15.860 1.00 0.00 C ATOM 649 C LEU A 74 13.612 -7.808 14.680 1.00 0.00 C ATOM 650 O LEU A 74 14.488 -8.596 14.322 1.00 0.00 O ATOM 651 CB LEU A 74 12.916 -7.254 17.018 1.00 0.00 C ATOM 652 CG LEU A 74 12.812 -6.242 18.159 1.00 0.00 C ATOM 653 CD1 LEU A 74 11.739 -6.663 19.151 1.00 0.00 C ATOM 654 CD2 LEU A 74 14.155 -6.087 18.859 1.00 0.00 C ATOM 0 H LEU A 74 12.629 -5.236 15.341 1.00 0.00 H new ATOM 0 HA LEU A 74 14.875 -6.963 16.182 1.00 0.00 H new ATOM 0 HB2 LEU A 74 11.916 -7.425 16.619 1.00 0.00 H new ATOM 0 HB3 LEU A 74 13.261 -8.202 17.430 1.00 0.00 H new ATOM 0 HG LEU A 74 12.530 -5.277 17.737 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.680 -5.930 19.956 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.777 -6.722 18.643 1.00 0.00 H new ATOM 0 HD13 LEU A 74 11.990 -7.639 19.567 1.00 0.00 H new ATOM 0 HD21 LEU A 74 14.062 -5.363 19.668 1.00 0.00 H new ATOM 0 HD22 LEU A 74 14.466 -7.049 19.267 1.00 0.00 H new ATOM 0 HD23 LEU A 74 14.900 -5.738 18.144 1.00 0.00 H new ATOM 666 N THR A 75 12.431 -7.717 14.076 1.00 0.00 N ATOM 667 CA THR A 75 12.089 -8.557 12.935 1.00 0.00 C ATOM 668 C THR A 75 12.627 -7.967 11.637 1.00 0.00 C ATOM 669 O THR A 75 12.576 -8.604 10.585 1.00 0.00 O ATOM 670 CB THR A 75 10.565 -8.742 12.810 1.00 0.00 C ATOM 671 OG1 THR A 75 9.975 -7.566 12.245 1.00 0.00 O ATOM 672 CG2 THR A 75 9.941 -9.027 14.167 1.00 0.00 C ATOM 0 H THR A 75 11.695 -7.070 14.358 1.00 0.00 H new ATOM 0 HA THR A 75 12.552 -9.529 13.108 1.00 0.00 H new ATOM 0 HB THR A 75 10.376 -9.593 12.156 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.006 -7.691 12.167 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.864 -9.154 14.053 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.372 -9.938 14.581 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.139 -8.193 14.841 1.00 0.00 H new ATOM 680 N LYS A 76 13.144 -6.745 11.717 1.00 0.00 N ATOM 681 CA LYS A 76 13.693 -6.068 10.549 1.00 0.00 C ATOM 682 C LYS A 76 12.695 -6.077 9.395 1.00 0.00 C ATOM 683 O LYS A 76 13.082 -6.092 8.226 1.00 0.00 O ATOM 684 CB LYS A 76 14.999 -6.738 10.113 1.00 0.00 C ATOM 685 CG LYS A 76 16.170 -6.444 11.034 1.00 0.00 C ATOM 686 CD LYS A 76 16.018 -7.148 12.372 1.00 0.00 C ATOM 687 CE LYS A 76 17.360 -7.315 13.069 1.00 0.00 C ATOM 688 NZ LYS A 76 18.022 -8.597 12.699 1.00 0.00 N ATOM 0 H LYS A 76 13.194 -6.203 12.580 1.00 0.00 H new ATOM 0 HA LYS A 76 13.896 -5.033 10.822 1.00 0.00 H new ATOM 0 HB2 LYS A 76 14.846 -7.816 10.066 1.00 0.00 H new ATOM 0 HB3 LYS A 76 15.248 -6.407 9.105 1.00 0.00 H new ATOM 0 HG2 LYS A 76 17.097 -6.762 10.558 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.247 -5.369 11.194 1.00 0.00 H new ATOM 0 HD2 LYS A 76 15.344 -6.577 13.010 1.00 0.00 H new ATOM 0 HD3 LYS A 76 15.561 -8.126 12.220 1.00 0.00 H new ATOM 0 HE2 LYS A 76 18.011 -6.481 12.807 1.00 0.00 H new ATOM 0 HE3 LYS A 76 17.215 -7.279 14.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 18.933 -8.673 13.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 17.412 -9.394 12.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 18.184 -8.620 11.672 1.00 0.00 H new ATOM 702 N LYS A 77 11.410 -6.066 9.731 1.00 0.00 N ATOM 703 CA LYS A 77 10.356 -6.070 8.724 1.00 0.00 C ATOM 704 C LYS A 77 9.250 -5.084 9.089 1.00 0.00 C ATOM 705 O LYS A 77 9.049 -4.745 10.256 1.00 0.00 O ATOM 706 CB LYS A 77 9.770 -7.476 8.574 1.00 0.00 C ATOM 707 CG LYS A 77 10.673 -8.433 7.814 1.00 0.00 C ATOM 708 CD LYS A 77 9.869 -9.483 7.067 1.00 0.00 C ATOM 709 CE LYS A 77 10.641 -10.788 6.938 1.00 0.00 C ATOM 710 NZ LYS A 77 10.272 -11.530 5.701 1.00 0.00 N ATOM 0 H LYS A 77 11.073 -6.054 10.694 1.00 0.00 H new ATOM 0 HA LYS A 77 10.795 -5.762 7.775 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.572 -7.886 9.564 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.811 -7.408 8.060 1.00 0.00 H new ATOM 0 HG2 LYS A 77 11.286 -7.873 7.108 1.00 0.00 H new ATOM 0 HG3 LYS A 77 11.354 -8.922 8.510 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.930 -9.664 7.590 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.614 -9.110 6.075 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.711 -10.578 6.930 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.445 -11.414 7.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 10.819 -12.413 5.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.256 -11.753 5.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.482 -10.943 4.868 1.00 0.00 H new ATOM 724 N PRO A 78 8.516 -4.613 8.071 1.00 0.00 N ATOM 725 CA PRO A 78 7.417 -3.661 8.261 1.00 0.00 C ATOM 726 C PRO A 78 6.219 -4.291 8.962 1.00 0.00 C ATOM 727 O PRO A 78 5.961 -5.487 8.819 1.00 0.00 O ATOM 728 CB PRO A 78 7.048 -3.255 6.832 1.00 0.00 C ATOM 729 CG PRO A 78 7.479 -4.405 5.988 1.00 0.00 C ATOM 730 CD PRO A 78 8.701 -4.973 6.655 1.00 0.00 C ATOM 0 HA PRO A 78 7.709 -2.823 8.895 1.00 0.00 H new ATOM 0 HB2 PRO A 78 5.978 -3.073 6.736 1.00 0.00 H new ATOM 0 HB3 PRO A 78 7.555 -2.336 6.538 1.00 0.00 H new ATOM 0 HG2 PRO A 78 6.690 -5.154 5.916 1.00 0.00 H new ATOM 0 HG3 PRO A 78 7.704 -4.081 4.972 1.00 0.00 H new ATOM 0 HD2 PRO A 78 8.767 -6.053 6.520 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.617 -4.544 6.248 1.00 0.00 H new ATOM 738 N LYS A 79 5.489 -3.480 9.720 1.00 0.00 N ATOM 739 CA LYS A 79 4.316 -3.957 10.443 1.00 0.00 C ATOM 740 C LYS A 79 3.108 -4.056 9.516 1.00 0.00 C ATOM 741 O LYS A 79 2.146 -4.765 9.807 1.00 0.00 O ATOM 742 CB LYS A 79 3.998 -3.025 11.614 1.00 0.00 C ATOM 743 CG LYS A 79 5.168 -2.817 12.560 1.00 0.00 C ATOM 744 CD LYS A 79 6.107 -1.733 12.058 1.00 0.00 C ATOM 745 CE LYS A 79 6.893 -1.104 13.199 1.00 0.00 C ATOM 746 NZ LYS A 79 7.996 -1.988 13.665 1.00 0.00 N ATOM 0 H LYS A 79 5.689 -2.488 9.850 1.00 0.00 H new ATOM 0 HA LYS A 79 4.539 -4.952 10.829 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.682 -2.058 11.223 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.157 -3.433 12.174 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.794 -2.547 13.548 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.717 -3.752 12.672 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.798 -2.157 11.329 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.533 -0.963 11.542 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.306 -0.149 12.873 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.220 -0.893 14.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.784 -1.406 14.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.651 -2.599 14.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.325 -2.578 12.875 1.00 0.00 H new ATOM 760 N GLY A 80 3.167 -3.340 8.397 1.00 0.00 N ATOM 761 CA GLY A 80 2.073 -3.362 7.444 1.00 0.00 C ATOM 762 C GLY A 80 1.385 -2.017 7.320 1.00 0.00 C ATOM 763 O GLY A 80 0.156 -1.941 7.287 1.00 0.00 O ATOM 0 H GLY A 80 3.953 -2.745 8.134 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.452 -3.664 6.468 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.344 -4.113 7.749 1.00 0.00 H new ATOM 767 N PHE A 81 2.177 -0.953 7.253 1.00 0.00 N ATOM 768 CA PHE A 81 1.637 0.397 7.135 1.00 0.00 C ATOM 769 C PHE A 81 2.710 1.373 6.663 1.00 0.00 C ATOM 770 O PHE A 81 3.891 1.207 6.967 1.00 0.00 O ATOM 771 CB PHE A 81 1.064 0.859 8.476 1.00 0.00 C ATOM 772 CG PHE A 81 2.096 1.442 9.399 1.00 0.00 C ATOM 773 CD1 PHE A 81 2.421 2.787 9.334 1.00 0.00 C ATOM 774 CD2 PHE A 81 2.741 0.645 10.331 1.00 0.00 C ATOM 775 CE1 PHE A 81 3.369 3.328 10.182 1.00 0.00 C ATOM 776 CE2 PHE A 81 3.690 1.179 11.182 1.00 0.00 C ATOM 777 CZ PHE A 81 4.005 2.522 11.106 1.00 0.00 C ATOM 0 H PHE A 81 3.196 -0.999 7.278 1.00 0.00 H new ATOM 0 HA PHE A 81 0.838 0.378 6.394 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.289 1.603 8.294 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.584 0.013 8.968 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.928 3.421 8.612 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.499 -0.406 10.393 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.612 4.379 10.122 1.00 0.00 H new ATOM 0 HE2 PHE A 81 4.185 0.547 11.905 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.748 2.941 11.768 1.00 0.00 H new ATOM 787 N ALA A 82 2.290 2.391 5.920 1.00 0.00 N ATOM 788 CA ALA A 82 3.214 3.395 5.407 1.00 0.00 C ATOM 789 C ALA A 82 2.474 4.663 4.994 1.00 0.00 C ATOM 790 O ALA A 82 1.251 4.660 4.848 1.00 0.00 O ATOM 791 CB ALA A 82 4.004 2.836 4.233 1.00 0.00 C ATOM 0 H ALA A 82 1.315 2.543 5.660 1.00 0.00 H new ATOM 0 HA ALA A 82 3.908 3.655 6.206 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.690 3.597 3.861 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.572 1.964 4.558 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.317 2.546 3.438 1.00 0.00 H new ATOM 797 N PHE A 83 3.222 5.745 4.807 1.00 0.00 N ATOM 798 CA PHE A 83 2.635 7.021 4.412 1.00 0.00 C ATOM 799 C PHE A 83 3.275 7.538 3.127 1.00 0.00 C ATOM 800 O PHE A 83 4.465 7.853 3.095 1.00 0.00 O ATOM 801 CB PHE A 83 2.804 8.052 5.530 1.00 0.00 C ATOM 802 CG PHE A 83 1.913 7.803 6.713 1.00 0.00 C ATOM 803 CD1 PHE A 83 2.248 6.851 7.662 1.00 0.00 C ATOM 804 CD2 PHE A 83 0.740 8.522 6.877 1.00 0.00 C ATOM 805 CE1 PHE A 83 1.430 6.620 8.752 1.00 0.00 C ATOM 806 CE2 PHE A 83 -0.083 8.296 7.965 1.00 0.00 C ATOM 807 CZ PHE A 83 0.264 7.344 8.904 1.00 0.00 C ATOM 0 H PHE A 83 4.235 5.764 4.922 1.00 0.00 H new ATOM 0 HA PHE A 83 1.572 6.864 4.230 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.843 8.051 5.861 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.597 9.045 5.132 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.159 6.282 7.549 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.465 9.268 6.146 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.702 5.874 9.484 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.995 8.863 8.080 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.376 7.166 9.756 1.00 0.00 H new ATOM 817 N VAL A 84 2.476 7.623 2.068 1.00 0.00 N ATOM 818 CA VAL A 84 2.963 8.103 0.780 1.00 0.00 C ATOM 819 C VAL A 84 2.473 9.519 0.500 1.00 0.00 C ATOM 820 O VAL A 84 1.302 9.837 0.711 1.00 0.00 O ATOM 821 CB VAL A 84 2.514 7.180 -0.369 1.00 0.00 C ATOM 822 CG1 VAL A 84 2.992 7.722 -1.707 1.00 0.00 C ATOM 823 CG2 VAL A 84 3.023 5.765 -0.145 1.00 0.00 C ATOM 0 H VAL A 84 1.489 7.366 2.077 1.00 0.00 H new ATOM 0 HA VAL A 84 4.052 8.102 0.833 1.00 0.00 H new ATOM 0 HB VAL A 84 1.424 7.151 -0.384 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.666 7.057 -2.507 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.573 8.715 -1.868 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.080 7.783 -1.707 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.697 5.127 -0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.112 5.773 -0.102 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.626 5.380 0.794 1.00 0.00 H new ATOM 833 N THR A 85 3.377 10.369 0.023 1.00 0.00 N ATOM 834 CA THR A 85 3.038 11.753 -0.285 1.00 0.00 C ATOM 835 C THR A 85 3.379 12.093 -1.732 1.00 0.00 C ATOM 836 O THR A 85 4.546 12.284 -2.076 1.00 0.00 O ATOM 837 CB THR A 85 3.773 12.733 0.648 1.00 0.00 C ATOM 838 OG1 THR A 85 3.600 12.333 2.012 1.00 0.00 O ATOM 839 CG2 THR A 85 3.256 14.151 0.460 1.00 0.00 C ATOM 0 H THR A 85 4.350 10.123 -0.159 1.00 0.00 H new ATOM 0 HA THR A 85 1.964 11.857 -0.133 1.00 0.00 H new ATOM 0 HB THR A 85 4.833 12.714 0.396 1.00 0.00 H new ATOM 0 HG1 THR A 85 4.072 12.960 2.599 1.00 0.00 H new ATOM 0 HG21 THR A 85 3.790 14.825 1.130 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.416 14.463 -0.572 1.00 0.00 H new ATOM 0 HG23 THR A 85 2.190 14.183 0.687 1.00 0.00 H new ATOM 847 N PHE A 86 2.355 12.169 -2.574 1.00 0.00 N ATOM 848 CA PHE A 86 2.547 12.487 -3.985 1.00 0.00 C ATOM 849 C PHE A 86 2.932 13.952 -4.165 1.00 0.00 C ATOM 850 O PHE A 86 2.614 14.796 -3.327 1.00 0.00 O ATOM 851 CB PHE A 86 1.273 12.182 -4.776 1.00 0.00 C ATOM 852 CG PHE A 86 1.042 10.714 -4.997 1.00 0.00 C ATOM 853 CD1 PHE A 86 0.698 9.886 -3.940 1.00 0.00 C ATOM 854 CD2 PHE A 86 1.168 10.162 -6.262 1.00 0.00 C ATOM 855 CE1 PHE A 86 0.484 8.536 -4.140 1.00 0.00 C ATOM 856 CE2 PHE A 86 0.955 8.812 -6.468 1.00 0.00 C ATOM 857 CZ PHE A 86 0.614 7.998 -5.405 1.00 0.00 C ATOM 0 H PHE A 86 1.383 12.015 -2.305 1.00 0.00 H new ATOM 0 HA PHE A 86 3.359 11.867 -4.364 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.417 12.601 -4.247 1.00 0.00 H new ATOM 0 HB3 PHE A 86 1.326 12.683 -5.743 1.00 0.00 H new ATOM 0 HD1 PHE A 86 0.596 10.301 -2.948 1.00 0.00 H new ATOM 0 HD2 PHE A 86 1.436 10.794 -7.096 1.00 0.00 H new ATOM 0 HE1 PHE A 86 0.215 7.902 -3.308 1.00 0.00 H new ATOM 0 HE2 PHE A 86 1.055 8.394 -7.459 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.449 6.942 -5.563 1.00 0.00 H new ATOM 867 N MET A 87 3.620 14.246 -5.263 1.00 0.00 N ATOM 868 CA MET A 87 4.049 15.610 -5.553 1.00 0.00 C ATOM 869 C MET A 87 2.846 16.520 -5.784 1.00 0.00 C ATOM 870 O MET A 87 2.759 17.606 -5.211 1.00 0.00 O ATOM 871 CB MET A 87 4.961 15.629 -6.781 1.00 0.00 C ATOM 872 CG MET A 87 6.435 15.464 -6.446 1.00 0.00 C ATOM 873 SD MET A 87 7.262 17.040 -6.157 1.00 0.00 S ATOM 874 CE MET A 87 7.182 17.142 -4.371 1.00 0.00 C ATOM 0 H MET A 87 3.892 13.559 -5.966 1.00 0.00 H new ATOM 0 HA MET A 87 4.604 15.982 -4.691 1.00 0.00 H new ATOM 0 HB2 MET A 87 4.660 14.831 -7.460 1.00 0.00 H new ATOM 0 HB3 MET A 87 4.821 16.570 -7.313 1.00 0.00 H new ATOM 0 HG2 MET A 87 6.534 14.838 -5.559 1.00 0.00 H new ATOM 0 HG3 MET A 87 6.933 14.941 -7.263 1.00 0.00 H new ATOM 0 HE1 MET A 87 7.574 18.105 -4.044 1.00 0.00 H new ATOM 0 HE2 MET A 87 6.146 17.043 -4.047 1.00 0.00 H new ATOM 0 HE3 MET A 87 7.777 16.340 -3.934 1.00 0.00 H new ATOM 884 N PHE A 88 1.923 16.070 -6.627 1.00 0.00 N ATOM 885 CA PHE A 88 0.726 16.845 -6.935 1.00 0.00 C ATOM 886 C PHE A 88 -0.515 16.187 -6.340 1.00 0.00 C ATOM 887 O PHE A 88 -0.609 14.965 -6.230 1.00 0.00 O ATOM 888 CB PHE A 88 0.563 16.993 -8.449 1.00 0.00 C ATOM 889 CG PHE A 88 1.746 17.632 -9.120 1.00 0.00 C ATOM 890 CD1 PHE A 88 1.834 19.010 -9.231 1.00 0.00 C ATOM 891 CD2 PHE A 88 2.769 16.855 -9.638 1.00 0.00 C ATOM 892 CE1 PHE A 88 2.920 19.601 -9.849 1.00 0.00 C ATOM 893 CE2 PHE A 88 3.858 17.440 -10.256 1.00 0.00 C ATOM 894 CZ PHE A 88 3.934 18.815 -10.361 1.00 0.00 C ATOM 0 H PHE A 88 1.980 15.173 -7.109 1.00 0.00 H new ATOM 0 HA PHE A 88 0.840 17.834 -6.491 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.395 16.009 -8.886 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -0.326 17.589 -8.654 1.00 0.00 H new ATOM 0 HD1 PHE A 88 1.045 19.629 -8.830 1.00 0.00 H new ATOM 0 HD2 PHE A 88 2.715 15.779 -9.558 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.976 20.676 -9.931 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.649 16.823 -10.656 1.00 0.00 H new ATOM 0 HZ PHE A 88 4.784 19.275 -10.842 1.00 0.00 H new ATOM 904 N PRO A 89 -1.493 17.017 -5.946 1.00 0.00 N ATOM 905 CA PRO A 89 -2.747 16.540 -5.356 1.00 0.00 C ATOM 906 C PRO A 89 -3.630 15.824 -6.372 1.00 0.00 C ATOM 907 O PRO A 89 -4.275 14.826 -6.052 1.00 0.00 O ATOM 908 CB PRO A 89 -3.423 17.825 -4.871 1.00 0.00 C ATOM 909 CG PRO A 89 -2.862 18.898 -5.739 1.00 0.00 C ATOM 910 CD PRO A 89 -1.449 18.486 -6.047 1.00 0.00 C ATOM 0 HA PRO A 89 -2.573 15.810 -4.566 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -4.507 17.763 -4.968 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -3.207 18.013 -3.819 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.445 19.005 -6.654 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -2.885 19.862 -5.232 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.143 18.812 -7.041 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.741 18.917 -5.339 1.00 0.00 H new ATOM 918 N GLU A 90 -3.654 16.340 -7.596 1.00 0.00 N ATOM 919 CA GLU A 90 -4.459 15.749 -8.658 1.00 0.00 C ATOM 920 C GLU A 90 -4.040 14.305 -8.920 1.00 0.00 C ATOM 921 O GLU A 90 -4.829 13.496 -9.408 1.00 0.00 O ATOM 922 CB GLU A 90 -4.330 16.569 -9.944 1.00 0.00 C ATOM 923 CG GLU A 90 -2.902 16.690 -10.448 1.00 0.00 C ATOM 924 CD GLU A 90 -2.831 17.096 -11.907 1.00 0.00 C ATOM 925 OE1 GLU A 90 -3.145 16.254 -12.774 1.00 0.00 O ATOM 926 OE2 GLU A 90 -2.462 18.257 -12.182 1.00 0.00 O ATOM 0 H GLU A 90 -3.125 17.166 -7.877 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.500 15.755 -8.334 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.943 16.111 -10.720 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -4.731 17.568 -9.770 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.368 17.424 -9.844 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.392 15.736 -10.315 1.00 0.00 H new ATOM 933 N HIS A 91 -2.791 13.989 -8.591 1.00 0.00 N ATOM 934 CA HIS A 91 -2.266 12.643 -8.790 1.00 0.00 C ATOM 935 C HIS A 91 -2.671 11.726 -7.640 1.00 0.00 C ATOM 936 O HIS A 91 -3.096 10.592 -7.857 1.00 0.00 O ATOM 937 CB HIS A 91 -0.742 12.681 -8.915 1.00 0.00 C ATOM 938 CG HIS A 91 -0.255 13.520 -10.055 1.00 0.00 C ATOM 939 ND1 HIS A 91 0.992 14.107 -10.079 1.00 0.00 N ATOM 940 CD2 HIS A 91 -0.855 13.868 -11.218 1.00 0.00 C ATOM 941 CE1 HIS A 91 1.138 14.781 -11.206 1.00 0.00 C ATOM 942 NE2 HIS A 91 0.031 14.652 -11.915 1.00 0.00 N ATOM 0 H HIS A 91 -2.125 14.646 -8.186 1.00 0.00 H new ATOM 0 HA HIS A 91 -2.689 12.247 -9.713 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.319 13.064 -7.986 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -0.370 11.664 -9.039 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -1.846 13.582 -11.538 1.00 0.00 H new ATOM 0 HE1 HIS A 91 2.014 15.342 -11.498 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -0.138 15.067 -12.831 1.00 0.00 H new ATOM 951 N ALA A 92 -2.537 12.226 -6.415 1.00 0.00 N ATOM 952 CA ALA A 92 -2.890 11.452 -5.231 1.00 0.00 C ATOM 953 C ALA A 92 -4.300 10.884 -5.348 1.00 0.00 C ATOM 954 O ALA A 92 -4.563 9.758 -4.928 1.00 0.00 O ATOM 955 CB ALA A 92 -2.767 12.313 -3.983 1.00 0.00 C ATOM 0 H ALA A 92 -2.187 13.163 -6.217 1.00 0.00 H new ATOM 0 HA ALA A 92 -2.195 10.616 -5.152 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.033 11.723 -3.106 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.741 12.666 -3.884 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.439 13.168 -4.063 1.00 0.00 H new ATOM 961 N VAL A 93 -5.205 11.672 -5.920 1.00 0.00 N ATOM 962 CA VAL A 93 -6.589 11.247 -6.092 1.00 0.00 C ATOM 963 C VAL A 93 -6.686 10.066 -7.051 1.00 0.00 C ATOM 964 O VAL A 93 -7.182 8.998 -6.691 1.00 0.00 O ATOM 965 CB VAL A 93 -7.468 12.396 -6.620 1.00 0.00 C ATOM 966 CG1 VAL A 93 -8.897 11.921 -6.837 1.00 0.00 C ATOM 967 CG2 VAL A 93 -7.430 13.578 -5.664 1.00 0.00 C ATOM 0 H VAL A 93 -5.004 12.608 -6.272 1.00 0.00 H new ATOM 0 HA VAL A 93 -6.951 10.945 -5.109 1.00 0.00 H new ATOM 0 HB VAL A 93 -7.070 12.722 -7.581 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -9.502 12.747 -7.210 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.904 11.109 -7.564 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -9.310 11.566 -5.893 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.057 14.381 -6.053 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.802 13.268 -4.687 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.404 13.934 -5.566 1.00 0.00 H new ATOM 977 N LYS A 94 -6.209 10.264 -8.275 1.00 0.00 N ATOM 978 CA LYS A 94 -6.240 9.215 -9.288 1.00 0.00 C ATOM 979 C LYS A 94 -5.775 7.884 -8.707 1.00 0.00 C ATOM 980 O LYS A 94 -6.373 6.840 -8.966 1.00 0.00 O ATOM 981 CB LYS A 94 -5.357 9.600 -10.477 1.00 0.00 C ATOM 982 CG LYS A 94 -5.292 8.534 -11.557 1.00 0.00 C ATOM 983 CD LYS A 94 -3.980 8.594 -12.322 1.00 0.00 C ATOM 984 CE LYS A 94 -3.980 7.638 -13.505 1.00 0.00 C ATOM 985 NZ LYS A 94 -3.027 8.068 -14.565 1.00 0.00 N ATOM 0 H LYS A 94 -5.796 11.142 -8.590 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.270 9.103 -9.628 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -5.733 10.525 -10.914 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.348 9.804 -10.118 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.406 7.549 -11.104 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.124 8.665 -12.249 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.810 9.611 -12.675 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.156 8.347 -11.653 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.716 6.637 -13.163 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.985 7.577 -13.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -3.056 7.391 -15.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.294 9.012 -14.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.064 8.102 -14.173 1.00 0.00 H new ATOM 999 N ALA A 95 -4.706 7.928 -7.919 1.00 0.00 N ATOM 1000 CA ALA A 95 -4.163 6.726 -7.298 1.00 0.00 C ATOM 1001 C ALA A 95 -5.073 6.228 -6.180 1.00 0.00 C ATOM 1002 O ALA A 95 -5.409 5.045 -6.121 1.00 0.00 O ATOM 1003 CB ALA A 95 -2.764 6.993 -6.764 1.00 0.00 C ATOM 0 H ALA A 95 -4.198 8.784 -7.695 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.106 5.947 -8.059 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.371 6.087 -6.303 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.113 7.294 -7.584 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.804 7.790 -6.021 1.00 0.00 H new ATOM 1009 N TYR A 96 -5.467 7.137 -5.295 1.00 0.00 N ATOM 1010 CA TYR A 96 -6.334 6.788 -4.177 1.00 0.00 C ATOM 1011 C TYR A 96 -7.605 6.101 -4.667 1.00 0.00 C ATOM 1012 O TYR A 96 -8.258 5.372 -3.920 1.00 0.00 O ATOM 1013 CB TYR A 96 -6.695 8.040 -3.375 1.00 0.00 C ATOM 1014 CG TYR A 96 -8.030 7.945 -2.672 1.00 0.00 C ATOM 1015 CD1 TYR A 96 -8.310 6.893 -1.808 1.00 0.00 C ATOM 1016 CD2 TYR A 96 -9.013 8.906 -2.872 1.00 0.00 C ATOM 1017 CE1 TYR A 96 -9.528 6.801 -1.164 1.00 0.00 C ATOM 1018 CE2 TYR A 96 -10.234 8.824 -2.231 1.00 0.00 C ATOM 1019 CZ TYR A 96 -10.487 7.770 -1.379 1.00 0.00 C ATOM 1020 OH TYR A 96 -11.703 7.683 -0.740 1.00 0.00 O ATOM 0 H TYR A 96 -5.200 8.121 -5.331 1.00 0.00 H new ATOM 0 HA TYR A 96 -5.793 6.095 -3.533 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.916 8.224 -2.635 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.707 8.900 -4.045 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -7.561 6.134 -1.637 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -8.819 9.732 -3.540 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -9.729 5.976 -0.496 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -10.986 9.581 -2.396 1.00 0.00 H new ATOM 0 HH TYR A 96 -12.264 8.444 -0.999 1.00 0.00 H new ATOM 1030 N ALA A 97 -7.950 6.339 -5.928 1.00 0.00 N ATOM 1031 CA ALA A 97 -9.141 5.742 -6.520 1.00 0.00 C ATOM 1032 C ALA A 97 -8.864 4.320 -6.994 1.00 0.00 C ATOM 1033 O ALA A 97 -9.684 3.422 -6.805 1.00 0.00 O ATOM 1034 CB ALA A 97 -9.642 6.597 -7.675 1.00 0.00 C ATOM 0 H ALA A 97 -7.422 6.941 -6.559 1.00 0.00 H new ATOM 0 HA ALA A 97 -9.914 5.698 -5.753 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -10.532 6.139 -8.107 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -9.888 7.594 -7.310 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.866 6.671 -8.436 1.00 0.00 H new ATOM 1040 N GLU A 98 -7.703 4.122 -7.611 1.00 0.00 N ATOM 1041 CA GLU A 98 -7.319 2.808 -8.114 1.00 0.00 C ATOM 1042 C GLU A 98 -6.681 1.969 -7.010 1.00 0.00 C ATOM 1043 O GLU A 98 -7.157 0.880 -6.689 1.00 0.00 O ATOM 1044 CB GLU A 98 -6.349 2.949 -9.288 1.00 0.00 C ATOM 1045 CG GLU A 98 -6.956 3.638 -10.499 1.00 0.00 C ATOM 1046 CD GLU A 98 -7.612 2.663 -11.457 1.00 0.00 C ATOM 1047 OE1 GLU A 98 -6.921 1.734 -11.925 1.00 0.00 O ATOM 1048 OE2 GLU A 98 -8.817 2.829 -11.739 1.00 0.00 O ATOM 0 H GLU A 98 -7.012 4.855 -7.774 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.221 2.301 -8.458 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.475 3.512 -8.961 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.000 1.959 -9.581 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.695 4.367 -10.165 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -6.178 4.191 -11.025 1.00 0.00 H new ATOM 1055 N VAL A 99 -5.599 2.484 -6.435 1.00 0.00 N ATOM 1056 CA VAL A 99 -4.894 1.783 -5.367 1.00 0.00 C ATOM 1057 C VAL A 99 -5.872 1.202 -4.353 1.00 0.00 C ATOM 1058 O VAL A 99 -5.852 0.003 -4.072 1.00 0.00 O ATOM 1059 CB VAL A 99 -3.909 2.716 -4.638 1.00 0.00 C ATOM 1060 CG1 VAL A 99 -3.175 1.964 -3.539 1.00 0.00 C ATOM 1061 CG2 VAL A 99 -2.926 3.328 -5.625 1.00 0.00 C ATOM 0 H VAL A 99 -5.191 3.383 -6.690 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.336 0.972 -5.835 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.476 3.524 -4.176 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.484 2.639 -3.035 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.896 1.578 -2.818 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.619 1.134 -3.975 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.237 3.984 -5.093 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.364 2.535 -6.118 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -3.472 3.904 -6.372 1.00 0.00 H new ATOM 1071 N ASP A 100 -6.727 2.058 -3.805 1.00 0.00 N ATOM 1072 CA ASP A 100 -7.715 1.630 -2.822 1.00 0.00 C ATOM 1073 C ASP A 100 -8.413 0.351 -3.275 1.00 0.00 C ATOM 1074 O ASP A 100 -9.321 0.388 -4.105 1.00 0.00 O ATOM 1075 CB ASP A 100 -8.747 2.734 -2.589 1.00 0.00 C ATOM 1076 CG ASP A 100 -9.873 2.292 -1.675 1.00 0.00 C ATOM 1077 OD1 ASP A 100 -9.663 2.269 -0.444 1.00 0.00 O ATOM 1078 OD2 ASP A 100 -10.963 1.970 -2.190 1.00 0.00 O ATOM 0 H ASP A 100 -6.756 3.054 -4.025 1.00 0.00 H new ATOM 0 HA ASP A 100 -7.195 1.427 -1.886 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -8.253 3.604 -2.157 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -9.162 3.047 -3.547 1.00 0.00 H new ATOM 1083 N GLY A 101 -7.983 -0.779 -2.724 1.00 0.00 N ATOM 1084 CA GLY A 101 -8.576 -2.054 -3.084 1.00 0.00 C ATOM 1085 C GLY A 101 -7.763 -2.799 -4.123 1.00 0.00 C ATOM 1086 O GLY A 101 -8.311 -3.557 -4.922 1.00 0.00 O ATOM 0 H GLY A 101 -7.234 -0.835 -2.034 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -8.672 -2.672 -2.191 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.583 -1.888 -3.466 1.00 0.00 H new ATOM 1090 N GLN A 102 -6.451 -2.583 -4.112 1.00 0.00 N ATOM 1091 CA GLN A 102 -5.561 -3.239 -5.062 1.00 0.00 C ATOM 1092 C GLN A 102 -4.780 -4.363 -4.390 1.00 0.00 C ATOM 1093 O GLN A 102 -4.431 -4.272 -3.213 1.00 0.00 O ATOM 1094 CB GLN A 102 -4.594 -2.224 -5.673 1.00 0.00 C ATOM 1095 CG GLN A 102 -3.458 -1.830 -4.743 1.00 0.00 C ATOM 1096 CD GLN A 102 -2.284 -1.219 -5.481 1.00 0.00 C ATOM 1097 OE1 GLN A 102 -2.108 -1.437 -6.680 1.00 0.00 O ATOM 1098 NE2 GLN A 102 -1.472 -0.447 -4.768 1.00 0.00 N ATOM 0 H GLN A 102 -5.982 -1.959 -3.456 1.00 0.00 H new ATOM 0 HA GLN A 102 -6.172 -3.670 -5.855 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -4.175 -2.640 -6.589 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -5.149 -1.329 -5.954 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -3.828 -1.118 -4.005 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -3.120 -2.710 -4.196 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -1.655 -0.293 -3.776 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.665 -0.008 -5.212 1.00 0.00 H new ATOM 1107 N VAL A 103 -4.508 -5.423 -5.145 1.00 0.00 N ATOM 1108 CA VAL A 103 -3.767 -6.564 -4.622 1.00 0.00 C ATOM 1109 C VAL A 103 -2.289 -6.474 -4.987 1.00 0.00 C ATOM 1110 O VAL A 103 -1.938 -6.248 -6.145 1.00 0.00 O ATOM 1111 CB VAL A 103 -4.335 -7.894 -5.153 1.00 0.00 C ATOM 1112 CG1 VAL A 103 -3.502 -9.066 -4.658 1.00 0.00 C ATOM 1113 CG2 VAL A 103 -5.791 -8.052 -4.741 1.00 0.00 C ATOM 0 H VAL A 103 -4.790 -5.515 -6.121 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.873 -6.539 -3.537 1.00 0.00 H new ATOM 0 HB VAL A 103 -4.288 -7.881 -6.242 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -3.918 -9.997 -5.043 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -2.475 -8.956 -5.007 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -3.514 -9.087 -3.568 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -6.177 -8.997 -5.124 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -5.864 -8.044 -3.653 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -6.376 -7.228 -5.150 1.00 0.00 H new ATOM 1123 N PHE A 104 -1.427 -6.653 -3.992 1.00 0.00 N ATOM 1124 CA PHE A 104 0.014 -6.591 -4.208 1.00 0.00 C ATOM 1125 C PHE A 104 0.716 -7.762 -3.526 1.00 0.00 C ATOM 1126 O PHE A 104 0.850 -7.792 -2.303 1.00 0.00 O ATOM 1127 CB PHE A 104 0.574 -5.269 -3.680 1.00 0.00 C ATOM 1128 CG PHE A 104 1.872 -4.870 -4.321 1.00 0.00 C ATOM 1129 CD1 PHE A 104 1.951 -4.666 -5.689 1.00 0.00 C ATOM 1130 CD2 PHE A 104 3.014 -4.699 -3.555 1.00 0.00 C ATOM 1131 CE1 PHE A 104 3.144 -4.298 -6.282 1.00 0.00 C ATOM 1132 CE2 PHE A 104 4.210 -4.331 -4.143 1.00 0.00 C ATOM 1133 CZ PHE A 104 4.275 -4.132 -5.508 1.00 0.00 C ATOM 0 H PHE A 104 -1.701 -6.842 -3.028 1.00 0.00 H new ATOM 0 HA PHE A 104 0.199 -6.653 -5.280 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.161 -4.481 -3.844 1.00 0.00 H new ATOM 0 HB3 PHE A 104 0.719 -5.350 -2.603 1.00 0.00 H new ATOM 0 HD1 PHE A 104 1.070 -4.796 -6.300 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.969 -4.855 -2.487 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.191 -4.141 -7.349 1.00 0.00 H new ATOM 0 HE2 PHE A 104 5.093 -4.199 -3.535 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.209 -3.847 -5.969 1.00 0.00 H new ATOM 1143 N GLN A 105 1.162 -8.724 -4.327 1.00 0.00 N ATOM 1144 CA GLN A 105 1.850 -9.898 -3.802 1.00 0.00 C ATOM 1145 C GLN A 105 0.937 -10.694 -2.875 1.00 0.00 C ATOM 1146 O GLN A 105 1.403 -11.380 -1.967 1.00 0.00 O ATOM 1147 CB GLN A 105 3.117 -9.480 -3.054 1.00 0.00 C ATOM 1148 CG GLN A 105 4.029 -8.571 -3.862 1.00 0.00 C ATOM 1149 CD GLN A 105 4.845 -9.328 -4.890 1.00 0.00 C ATOM 1150 OE1 GLN A 105 4.522 -10.462 -5.244 1.00 0.00 O ATOM 1151 NE2 GLN A 105 5.912 -8.704 -5.376 1.00 0.00 N ATOM 0 H GLN A 105 1.059 -8.714 -5.342 1.00 0.00 H new ATOM 0 HA GLN A 105 2.126 -10.533 -4.643 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.834 -8.971 -2.133 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.671 -10.374 -2.767 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.428 -7.815 -4.366 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.702 -8.044 -3.186 1.00 0.00 H new ATOM 0 HE21 GLN A 105 6.143 -7.764 -5.055 1.00 0.00 H new ATOM 0 HE22 GLN A 105 6.500 -9.165 -6.071 1.00 0.00 H new ATOM 1160 N GLY A 106 -0.368 -10.597 -3.111 1.00 0.00 N ATOM 1161 CA GLY A 106 -1.326 -11.312 -2.289 1.00 0.00 C ATOM 1162 C GLY A 106 -1.684 -10.556 -1.025 1.00 0.00 C ATOM 1163 O GLY A 106 -1.990 -11.161 0.003 1.00 0.00 O ATOM 0 H GLY A 106 -0.779 -10.036 -3.857 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -2.231 -11.495 -2.868 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -0.916 -12.286 -2.022 1.00 0.00 H new ATOM 1167 N ARG A 107 -1.645 -9.230 -1.099 1.00 0.00 N ATOM 1168 CA ARG A 107 -1.966 -8.390 0.049 1.00 0.00 C ATOM 1169 C ARG A 107 -2.933 -7.278 -0.344 1.00 0.00 C ATOM 1170 O ARG A 107 -2.583 -6.379 -1.109 1.00 0.00 O ATOM 1171 CB ARG A 107 -0.689 -7.787 0.638 1.00 0.00 C ATOM 1172 CG ARG A 107 0.080 -8.744 1.533 1.00 0.00 C ATOM 1173 CD ARG A 107 -0.667 -9.017 2.829 1.00 0.00 C ATOM 1174 NE ARG A 107 -1.578 -10.152 2.707 1.00 0.00 N ATOM 1175 CZ ARG A 107 -2.147 -10.753 3.746 1.00 0.00 C ATOM 1176 NH1 ARG A 107 -1.899 -10.330 4.978 1.00 0.00 N ATOM 1177 NH2 ARG A 107 -2.965 -11.780 3.554 1.00 0.00 N ATOM 0 H ARG A 107 -1.394 -8.714 -1.942 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.446 -9.015 0.802 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -0.041 -7.464 -0.177 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -0.948 -6.897 1.211 1.00 0.00 H new ATOM 0 HG2 ARG A 107 0.248 -9.682 1.004 1.00 0.00 H new ATOM 0 HG3 ARG A 107 1.061 -8.325 1.758 1.00 0.00 H new ATOM 0 HD2 ARG A 107 0.050 -9.212 3.627 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -1.230 -8.129 3.117 1.00 0.00 H new ATOM 0 HE ARG A 107 -1.789 -10.502 1.773 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -1.270 -9.541 5.130 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -2.337 -10.793 5.774 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -3.157 -12.109 2.608 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -3.401 -12.241 4.353 1.00 0.00 H new ATOM 1191 N MET A 108 -4.151 -7.345 0.184 1.00 0.00 N ATOM 1192 CA MET A 108 -5.168 -6.343 -0.112 1.00 0.00 C ATOM 1193 C MET A 108 -4.804 -4.999 0.511 1.00 0.00 C ATOM 1194 O MET A 108 -5.081 -4.752 1.686 1.00 0.00 O ATOM 1195 CB MET A 108 -6.533 -6.804 0.403 1.00 0.00 C ATOM 1196 CG MET A 108 -7.704 -6.180 -0.338 1.00 0.00 C ATOM 1197 SD MET A 108 -8.087 -7.035 -1.878 1.00 0.00 S ATOM 1198 CE MET A 108 -7.972 -5.686 -3.051 1.00 0.00 C ATOM 0 H MET A 108 -4.457 -8.082 0.819 1.00 0.00 H new ATOM 0 HA MET A 108 -5.218 -6.220 -1.194 1.00 0.00 H new ATOM 0 HB2 MET A 108 -6.597 -7.889 0.319 1.00 0.00 H new ATOM 0 HB3 MET A 108 -6.613 -6.562 1.463 1.00 0.00 H new ATOM 0 HG2 MET A 108 -8.583 -6.189 0.306 1.00 0.00 H new ATOM 0 HG3 MET A 108 -7.478 -5.136 -0.553 1.00 0.00 H new ATOM 0 HE1 MET A 108 -8.113 -6.069 -4.061 1.00 0.00 H new ATOM 0 HE2 MET A 108 -8.743 -4.947 -2.832 1.00 0.00 H new ATOM 0 HE3 MET A 108 -6.990 -5.220 -2.974 1.00 0.00 H new ATOM 1208 N LEU A 109 -4.183 -4.133 -0.282 1.00 0.00 N ATOM 1209 CA LEU A 109 -3.781 -2.814 0.191 1.00 0.00 C ATOM 1210 C LEU A 109 -4.997 -1.920 0.410 1.00 0.00 C ATOM 1211 O LEU A 109 -5.928 -1.911 -0.396 1.00 0.00 O ATOM 1212 CB LEU A 109 -2.827 -2.160 -0.810 1.00 0.00 C ATOM 1213 CG LEU A 109 -1.659 -3.024 -1.287 1.00 0.00 C ATOM 1214 CD1 LEU A 109 -0.845 -2.287 -2.340 1.00 0.00 C ATOM 1215 CD2 LEU A 109 -0.777 -3.425 -0.113 1.00 0.00 C ATOM 0 H LEU A 109 -3.947 -4.321 -1.256 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.268 -2.938 1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.403 -1.850 -1.682 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.422 -1.255 -0.357 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.063 -3.930 -1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -0.018 -2.917 -2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.482 -2.051 -3.193 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.451 -1.364 -1.915 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.049 -4.039 -0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -0.382 -2.530 0.367 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.366 -3.993 0.607 1.00 0.00 H new ATOM 1227 N HIS A 110 -4.982 -1.167 1.506 1.00 0.00 N ATOM 1228 CA HIS A 110 -6.083 -0.267 1.830 1.00 0.00 C ATOM 1229 C HIS A 110 -5.611 1.184 1.849 1.00 0.00 C ATOM 1230 O HIS A 110 -4.608 1.513 2.482 1.00 0.00 O ATOM 1231 CB HIS A 110 -6.690 -0.636 3.184 1.00 0.00 C ATOM 1232 CG HIS A 110 -7.525 -1.878 3.148 1.00 0.00 C ATOM 1233 ND1 HIS A 110 -8.591 -2.094 3.996 1.00 0.00 N ATOM 1234 CD2 HIS A 110 -7.448 -2.974 2.357 1.00 0.00 C ATOM 1235 CE1 HIS A 110 -9.132 -3.269 3.730 1.00 0.00 C ATOM 1236 NE2 HIS A 110 -8.457 -3.824 2.739 1.00 0.00 N ATOM 0 H HIS A 110 -4.220 -1.162 2.184 1.00 0.00 H new ATOM 0 HA HIS A 110 -6.845 -0.373 1.058 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -5.887 -0.769 3.909 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -7.303 0.194 3.536 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -6.727 -3.148 1.572 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -9.982 -3.703 4.236 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -8.653 -4.735 2.325 1.00 0.00 H new ATOM 1245 N VAL A 111 -6.341 2.048 1.151 1.00 0.00 N ATOM 1246 CA VAL A 111 -5.997 3.463 1.088 1.00 0.00 C ATOM 1247 C VAL A 111 -7.136 4.329 1.615 1.00 0.00 C ATOM 1248 O VAL A 111 -8.298 4.131 1.258 1.00 0.00 O ATOM 1249 CB VAL A 111 -5.662 3.896 -0.352 1.00 0.00 C ATOM 1250 CG1 VAL A 111 -5.035 5.282 -0.361 1.00 0.00 C ATOM 1251 CG2 VAL A 111 -4.742 2.881 -1.012 1.00 0.00 C ATOM 0 H VAL A 111 -7.174 1.793 0.621 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.117 3.603 1.716 1.00 0.00 H new ATOM 0 HB VAL A 111 -6.588 3.939 -0.925 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.805 5.571 -1.387 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -5.733 6.000 0.070 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -4.117 5.270 0.227 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.515 3.202 -2.029 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -3.817 2.803 -0.441 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.234 1.909 -1.040 1.00 0.00 H new ATOM 1261 N LEU A 112 -6.795 5.291 2.466 1.00 0.00 N ATOM 1262 CA LEU A 112 -7.789 6.190 3.043 1.00 0.00 C ATOM 1263 C LEU A 112 -7.297 7.633 3.018 1.00 0.00 C ATOM 1264 O LEU A 112 -6.114 7.915 3.208 1.00 0.00 O ATOM 1265 CB LEU A 112 -8.110 5.772 4.479 1.00 0.00 C ATOM 1266 CG LEU A 112 -9.024 4.557 4.637 1.00 0.00 C ATOM 1267 CD1 LEU A 112 -9.042 4.087 6.083 1.00 0.00 C ATOM 1268 CD2 LEU A 112 -10.433 4.885 4.163 1.00 0.00 C ATOM 0 H LEU A 112 -5.838 5.468 2.772 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.696 6.125 2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.172 5.565 4.994 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.573 6.618 4.987 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.633 3.749 4.019 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -9.698 3.221 6.176 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -8.033 3.812 6.389 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.408 4.890 6.722 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -11.070 4.009 4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -10.833 5.708 4.754 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -10.406 5.173 3.112 1.00 0.00 H new ATOM 1280 N PRO A 113 -8.226 8.571 2.780 1.00 0.00 N ATOM 1281 CA PRO A 113 -7.911 10.002 2.728 1.00 0.00 C ATOM 1282 C PRO A 113 -7.551 10.567 4.098 1.00 0.00 C ATOM 1283 O PRO A 113 -8.295 10.399 5.064 1.00 0.00 O ATOM 1284 CB PRO A 113 -9.208 10.632 2.214 1.00 0.00 C ATOM 1285 CG PRO A 113 -10.278 9.674 2.612 1.00 0.00 C ATOM 1286 CD PRO A 113 -9.656 8.307 2.545 1.00 0.00 C ATOM 0 HA PRO A 113 -7.044 10.206 2.100 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -9.373 11.615 2.655 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -9.181 10.768 1.133 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -10.640 9.889 3.617 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -11.135 9.746 1.942 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -10.071 7.639 3.300 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -9.824 7.836 1.576 1.00 0.00 H new ATOM 1294 N SER A 114 -6.405 11.236 4.174 1.00 0.00 N ATOM 1295 CA SER A 114 -5.945 11.823 5.428 1.00 0.00 C ATOM 1296 C SER A 114 -5.816 13.338 5.303 1.00 0.00 C ATOM 1297 O SER A 114 -5.504 13.861 4.233 1.00 0.00 O ATOM 1298 CB SER A 114 -4.601 11.217 5.835 1.00 0.00 C ATOM 1299 OG SER A 114 -4.350 11.416 7.216 1.00 0.00 O ATOM 0 H SER A 114 -5.778 11.385 3.383 1.00 0.00 H new ATOM 0 HA SER A 114 -6.684 11.601 6.198 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.597 10.150 5.611 1.00 0.00 H new ATOM 0 HB3 SER A 114 -3.802 11.669 5.248 1.00 0.00 H new ATOM 0 HG SER A 114 -3.486 11.018 7.452 1.00 0.00 H new ATOM 1305 N THR A 115 -6.058 14.039 6.406 1.00 0.00 N ATOM 1306 CA THR A 115 -5.971 15.494 6.422 1.00 0.00 C ATOM 1307 C THR A 115 -5.246 15.987 7.669 1.00 0.00 C ATOM 1308 O THR A 115 -5.077 15.243 8.635 1.00 0.00 O ATOM 1309 CB THR A 115 -7.367 16.141 6.364 1.00 0.00 C ATOM 1310 OG1 THR A 115 -8.132 15.762 7.513 1.00 0.00 O ATOM 1311 CG2 THR A 115 -8.104 15.726 5.099 1.00 0.00 C ATOM 0 H THR A 115 -6.316 13.622 7.301 1.00 0.00 H new ATOM 0 HA THR A 115 -5.406 15.787 5.537 1.00 0.00 H new ATOM 0 HB THR A 115 -7.240 17.224 6.354 1.00 0.00 H new ATOM 0 HG1 THR A 115 -9.018 16.179 7.469 1.00 0.00 H new ATOM 0 HG21 THR A 115 -9.088 16.195 5.080 1.00 0.00 H new ATOM 0 HG22 THR A 115 -7.534 16.043 4.225 1.00 0.00 H new ATOM 0 HG23 THR A 115 -8.219 14.642 5.084 1.00 0.00 H new ATOM 1319 N ILE A 116 -4.820 17.246 7.641 1.00 0.00 N ATOM 1320 CA ILE A 116 -4.115 17.838 8.770 1.00 0.00 C ATOM 1321 C ILE A 116 -5.092 18.311 9.842 1.00 0.00 C ATOM 1322 O ILE A 116 -5.961 19.143 9.582 1.00 0.00 O ATOM 1323 CB ILE A 116 -3.241 19.027 8.327 1.00 0.00 C ATOM 1324 CG1 ILE A 116 -2.224 18.578 7.277 1.00 0.00 C ATOM 1325 CG2 ILE A 116 -2.536 19.642 9.527 1.00 0.00 C ATOM 1326 CD1 ILE A 116 -1.733 19.701 6.391 1.00 0.00 C ATOM 0 H ILE A 116 -4.951 17.875 6.849 1.00 0.00 H new ATOM 0 HA ILE A 116 -3.473 17.060 9.184 1.00 0.00 H new ATOM 0 HB ILE A 116 -3.884 19.785 7.880 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -1.371 18.124 7.781 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -2.674 17.805 6.654 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -1.922 20.481 9.198 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -3.278 19.994 10.244 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -1.902 18.892 10.000 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -1.015 19.309 5.671 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -2.577 20.141 5.859 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -1.253 20.464 7.003 1.00 0.00 H new ATOM 1338 N LYS A 117 -4.942 17.775 11.048 1.00 0.00 N ATOM 1339 CA LYS A 117 -5.808 18.143 12.162 1.00 0.00 C ATOM 1340 C LYS A 117 -5.253 19.352 12.907 1.00 0.00 C ATOM 1341 O LYS A 117 -4.040 19.556 12.963 1.00 0.00 O ATOM 1342 CB LYS A 117 -5.963 16.964 13.125 1.00 0.00 C ATOM 1343 CG LYS A 117 -6.744 17.305 14.383 1.00 0.00 C ATOM 1344 CD LYS A 117 -7.456 16.086 14.944 1.00 0.00 C ATOM 1345 CE LYS A 117 -8.300 16.444 16.158 1.00 0.00 C ATOM 1346 NZ LYS A 117 -7.466 16.641 17.376 1.00 0.00 N ATOM 0 H LYS A 117 -4.228 17.084 11.279 1.00 0.00 H new ATOM 0 HA LYS A 117 -6.786 18.405 11.758 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -6.464 16.146 12.607 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -4.974 16.604 13.408 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -6.066 17.710 15.135 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -7.474 18.083 14.160 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -8.091 15.648 14.174 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -6.722 15.329 15.220 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -8.863 17.354 15.953 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -9.028 15.653 16.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -8.054 17.030 18.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -7.068 15.728 17.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -6.692 17.303 17.164 1.00 0.00 H new ATOM 1360 N LYS A 118 -6.147 20.151 13.479 1.00 0.00 N ATOM 1361 CA LYS A 118 -5.747 21.339 14.224 1.00 0.00 C ATOM 1362 C LYS A 118 -6.477 21.415 15.561 1.00 0.00 C ATOM 1363 O LYS A 118 -7.690 21.615 15.604 1.00 0.00 O ATOM 1364 CB LYS A 118 -6.030 22.600 13.404 1.00 0.00 C ATOM 1365 CG LYS A 118 -5.262 22.660 12.095 1.00 0.00 C ATOM 1366 CD LYS A 118 -5.993 23.493 11.056 1.00 0.00 C ATOM 1367 CE LYS A 118 -5.499 23.190 9.650 1.00 0.00 C ATOM 1368 NZ LYS A 118 -6.298 23.904 8.615 1.00 0.00 N ATOM 0 H LYS A 118 -7.155 19.997 13.441 1.00 0.00 H new ATOM 0 HA LYS A 118 -4.677 21.272 14.418 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -7.098 22.653 13.192 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -5.780 23.476 14.003 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -4.273 23.083 12.272 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -5.113 21.650 11.713 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -7.063 23.295 11.117 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -5.852 24.552 11.272 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -4.452 23.479 9.563 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -5.550 22.116 9.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -5.930 23.671 7.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -7.293 23.610 8.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -6.229 24.930 8.770 1.00 0.00 H new ATOM 1382 N GLU A 119 -5.729 21.256 16.648 1.00 0.00 N ATOM 1383 CA GLU A 119 -6.307 21.307 17.986 1.00 0.00 C ATOM 1384 C GLU A 119 -5.775 22.507 18.763 1.00 0.00 C ATOM 1385 O GLU A 119 -4.595 22.563 19.108 1.00 0.00 O ATOM 1386 CB GLU A 119 -6.001 20.016 18.748 1.00 0.00 C ATOM 1387 CG GLU A 119 -4.516 19.724 18.880 1.00 0.00 C ATOM 1388 CD GLU A 119 -4.229 18.258 19.139 1.00 0.00 C ATOM 1389 OE1 GLU A 119 -4.128 17.490 18.160 1.00 0.00 O ATOM 1390 OE2 GLU A 119 -4.107 17.879 20.323 1.00 0.00 O ATOM 0 H GLU A 119 -4.723 21.091 16.629 1.00 0.00 H new ATOM 0 HA GLU A 119 -7.387 21.412 17.883 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -6.440 20.079 19.744 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -6.483 19.181 18.239 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -4.006 20.034 17.968 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -4.104 20.320 19.694 1.00 0.00 H new ATOM 1397 N ALA A 120 -6.654 23.467 19.034 1.00 0.00 N ATOM 1398 CA ALA A 120 -6.273 24.665 19.771 1.00 0.00 C ATOM 1399 C ALA A 120 -7.503 25.408 20.283 1.00 0.00 C ATOM 1400 O ALA A 120 -8.600 25.254 19.748 1.00 0.00 O ATOM 1401 CB ALA A 120 -5.430 25.579 18.894 1.00 0.00 C ATOM 0 H ALA A 120 -7.634 23.438 18.754 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.680 24.358 20.633 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -5.153 26.470 19.458 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.528 25.053 18.581 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.004 25.870 18.014 1.00 0.00 H new ATOM 1407 N SER A 121 -7.311 26.212 21.324 1.00 0.00 N ATOM 1408 CA SER A 121 -8.406 26.976 21.912 1.00 0.00 C ATOM 1409 C SER A 121 -8.150 28.475 21.792 1.00 0.00 C ATOM 1410 O SER A 121 -7.571 29.089 22.687 1.00 0.00 O ATOM 1411 CB SER A 121 -8.590 26.594 23.382 1.00 0.00 C ATOM 1412 OG SER A 121 -9.923 26.823 23.806 1.00 0.00 O ATOM 0 H SER A 121 -6.408 26.351 21.778 1.00 0.00 H new ATOM 0 HA SER A 121 -9.318 26.737 21.365 1.00 0.00 H new ATOM 0 HB2 SER A 121 -8.336 25.543 23.522 1.00 0.00 H new ATOM 0 HB3 SER A 121 -7.904 27.173 24.000 1.00 0.00 H new ATOM 0 HG SER A 121 -10.015 26.569 24.748 1.00 0.00 H new ATOM 1418 N GLN A 122 -8.584 29.056 20.678 1.00 0.00 N ATOM 1419 CA GLN A 122 -8.401 30.482 20.440 1.00 0.00 C ATOM 1420 C GLN A 122 -9.736 31.217 20.483 1.00 0.00 C ATOM 1421 O GLN A 122 -10.736 30.740 19.946 1.00 0.00 O ATOM 1422 CB GLN A 122 -7.722 30.712 19.088 1.00 0.00 C ATOM 1423 CG GLN A 122 -7.335 32.161 18.840 1.00 0.00 C ATOM 1424 CD GLN A 122 -6.740 32.379 17.463 1.00 0.00 C ATOM 1425 OE1 GLN A 122 -5.727 31.775 17.109 1.00 0.00 O ATOM 1426 NE2 GLN A 122 -7.369 33.246 16.677 1.00 0.00 N ATOM 0 H GLN A 122 -9.065 28.561 19.927 1.00 0.00 H new ATOM 0 HA GLN A 122 -7.764 30.878 21.231 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -6.828 30.091 19.029 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -8.392 30.383 18.294 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -8.216 32.793 18.955 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -6.616 32.475 19.596 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -8.206 33.724 17.012 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -7.015 33.434 15.739 1.00 0.00 H new ATOM 1435 N SER A 123 -9.746 32.381 21.125 1.00 0.00 N ATOM 1436 CA SER A 123 -10.960 33.180 21.241 1.00 0.00 C ATOM 1437 C SER A 123 -10.624 34.663 21.365 1.00 0.00 C ATOM 1438 O SER A 123 -9.643 35.038 22.005 1.00 0.00 O ATOM 1439 CB SER A 123 -11.778 32.729 22.453 1.00 0.00 C ATOM 1440 OG SER A 123 -11.072 32.957 23.659 1.00 0.00 O ATOM 0 H SER A 123 -8.927 32.792 21.573 1.00 0.00 H new ATOM 0 HA SER A 123 -11.550 33.033 20.337 1.00 0.00 H new ATOM 0 HB2 SER A 123 -12.726 33.266 22.476 1.00 0.00 H new ATOM 0 HB3 SER A 123 -12.015 31.669 22.362 1.00 0.00 H new ATOM 0 HG SER A 123 -11.617 32.662 24.418 1.00 0.00 H new ATOM 1446 N GLY A 124 -11.447 35.504 20.745 1.00 0.00 N ATOM 1447 CA GLY A 124 -11.222 36.936 20.796 1.00 0.00 C ATOM 1448 C GLY A 124 -11.692 37.551 22.099 1.00 0.00 C ATOM 1449 O GLY A 124 -12.682 37.121 22.692 1.00 0.00 O ATOM 0 H GLY A 124 -12.266 35.218 20.208 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -10.159 37.138 20.665 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -11.742 37.412 19.965 1.00 0.00 H new ATOM 1453 N PRO A 125 -10.971 38.581 22.566 1.00 0.00 N ATOM 1454 CA PRO A 125 -11.301 39.277 23.814 1.00 0.00 C ATOM 1455 C PRO A 125 -12.580 40.098 23.699 1.00 0.00 C ATOM 1456 O PRO A 125 -13.418 40.089 24.601 1.00 0.00 O ATOM 1457 CB PRO A 125 -10.095 40.194 24.037 1.00 0.00 C ATOM 1458 CG PRO A 125 -9.532 40.417 22.677 1.00 0.00 C ATOM 1459 CD PRO A 125 -9.779 39.146 21.912 1.00 0.00 C ATOM 0 HA PRO A 125 -11.483 38.581 24.633 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -10.393 41.134 24.501 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -9.362 39.731 24.698 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -10.013 41.265 22.190 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -8.466 40.641 22.728 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -9.955 39.341 20.854 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -8.928 38.468 21.973 1.00 0.00 H new ATOM 1467 N SER A 126 -12.726 40.806 22.584 1.00 0.00 N ATOM 1468 CA SER A 126 -13.902 41.635 22.353 1.00 0.00 C ATOM 1469 C SER A 126 -14.420 41.460 20.928 1.00 0.00 C ATOM 1470 O SER A 126 -13.660 41.132 20.016 1.00 0.00 O ATOM 1471 CB SER A 126 -13.574 43.107 22.610 1.00 0.00 C ATOM 1472 OG SER A 126 -14.719 43.924 22.435 1.00 0.00 O ATOM 0 H SER A 126 -12.044 40.822 21.826 1.00 0.00 H new ATOM 0 HA SER A 126 -14.681 41.317 23.046 1.00 0.00 H new ATOM 0 HB2 SER A 126 -13.191 43.226 23.623 1.00 0.00 H new ATOM 0 HB3 SER A 126 -12.785 43.431 21.931 1.00 0.00 H new ATOM 0 HG SER A 126 -14.483 44.859 22.607 1.00 0.00 H new ATOM 1478 N SER A 127 -15.718 41.680 20.745 1.00 0.00 N ATOM 1479 CA SER A 127 -16.339 41.543 19.433 1.00 0.00 C ATOM 1480 C SER A 127 -16.373 42.883 18.705 1.00 0.00 C ATOM 1481 O SER A 127 -16.931 43.859 19.204 1.00 0.00 O ATOM 1482 CB SER A 127 -17.758 40.989 19.573 1.00 0.00 C ATOM 1483 OG SER A 127 -18.163 40.320 18.391 1.00 0.00 O ATOM 0 H SER A 127 -16.360 41.954 21.489 1.00 0.00 H new ATOM 0 HA SER A 127 -15.741 40.846 18.846 1.00 0.00 H new ATOM 0 HB2 SER A 127 -17.802 40.301 20.417 1.00 0.00 H new ATOM 0 HB3 SER A 127 -18.450 41.803 19.789 1.00 0.00 H new ATOM 0 HG SER A 127 -19.072 39.974 18.506 1.00 0.00 H new ATOM 1489 N GLY A 128 -15.771 42.921 17.520 1.00 0.00 N ATOM 1490 CA GLY A 128 -15.743 44.146 16.742 1.00 0.00 C ATOM 1491 C GLY A 128 -14.332 44.629 16.471 1.00 0.00 C ATOM 1492 O GLY A 128 -13.415 43.825 16.304 1.00 0.00 O ATOM 0 H GLY A 128 -15.303 42.126 17.085 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -16.256 43.983 15.794 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -16.294 44.922 17.273 1.00 0.00 H new TER 1496 GLY A 128