USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 752 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 Single : A 1 GLY N :NH3+ -112:sc= 0.0595 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.036 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.157 X(o=-0.16,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.04 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= -0.0437 USER MOD Single : A 27 GLN : amide:sc=-0.000619 X(o=-0.00062,f=0) USER MOD Single : A 28 ASN : amide:sc= -0.0531 K(o=-0.053,f=-1.8!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -170:sc= -4.93! (180deg=-5.2!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -54:sc= 0.18 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.63) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 97:sc= -0.215 USER MOD Single : A 64 ASN : amide:sc= 0.0489 X(o=0.049,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -1.04 K(o=-1,f=-2.4!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.0195 X(o=-0.019,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= -0.0536 USER MOD Single : A 93 SER OG : rot 180:sc= 0.104 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.287 5.922 -9.023 1.00 0.00 N ATOM 2 CA GLY A 1 -19.565 4.923 -8.008 1.00 0.00 C ATOM 3 C GLY A 1 -19.167 5.381 -6.619 1.00 0.00 C ATOM 4 O GLY A 1 -18.382 6.317 -6.468 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.183 6.290 -9.403 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.743 6.702 -8.602 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.736 5.491 -9.792 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.629 4.686 -8.018 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.031 4.004 -8.251 1.00 0.00 H new ATOM 8 N SER A 2 -19.712 4.722 -5.601 1.00 0.00 N ATOM 9 CA SER A 2 -19.413 5.071 -4.217 1.00 0.00 C ATOM 10 C SER A 2 -18.180 4.321 -3.722 1.00 0.00 C ATOM 11 O SER A 2 -17.545 3.583 -4.475 1.00 0.00 O ATOM 12 CB SER A 2 -20.611 4.755 -3.320 1.00 0.00 C ATOM 13 OG SER A 2 -21.079 5.922 -2.666 1.00 0.00 O ATOM 0 H SER A 2 -20.363 3.944 -5.709 1.00 0.00 H new ATOM 0 HA SER A 2 -19.208 6.141 -4.173 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.413 4.323 -3.918 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.328 4.008 -2.579 1.00 0.00 H new ATOM 0 HG SER A 2 -21.846 5.694 -2.100 1.00 0.00 H new ATOM 19 N SER A 3 -17.848 4.516 -2.450 1.00 0.00 N ATOM 20 CA SER A 3 -16.689 3.862 -1.853 1.00 0.00 C ATOM 21 C SER A 3 -17.014 3.353 -0.452 1.00 0.00 C ATOM 22 O SER A 3 -17.027 4.119 0.511 1.00 0.00 O ATOM 23 CB SER A 3 -15.505 4.829 -1.795 1.00 0.00 C ATOM 24 OG SER A 3 -14.664 4.539 -0.692 1.00 0.00 O ATOM 0 H SER A 3 -18.365 5.122 -1.813 1.00 0.00 H new ATOM 0 HA SER A 3 -16.422 3.009 -2.477 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.932 4.764 -2.720 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.871 5.853 -1.718 1.00 0.00 H new ATOM 0 HG SER A 3 -13.914 5.170 -0.678 1.00 0.00 H new ATOM 30 N GLY A 4 -17.277 2.054 -0.347 1.00 0.00 N ATOM 31 CA GLY A 4 -17.599 1.464 0.939 1.00 0.00 C ATOM 32 C GLY A 4 -16.444 0.670 1.518 1.00 0.00 C ATOM 33 O GLY A 4 -15.415 0.493 0.866 1.00 0.00 O ATOM 0 H GLY A 4 -17.273 1.400 -1.130 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.880 2.253 1.637 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.465 0.812 0.829 1.00 0.00 H new ATOM 37 N SER A 5 -16.614 0.191 2.746 1.00 0.00 N ATOM 38 CA SER A 5 -15.576 -0.583 3.415 1.00 0.00 C ATOM 39 C SER A 5 -16.152 -1.358 4.596 1.00 0.00 C ATOM 40 O SER A 5 -16.617 -0.770 5.572 1.00 0.00 O ATOM 41 CB SER A 5 -14.452 0.338 3.895 1.00 0.00 C ATOM 42 OG SER A 5 -13.183 -0.162 3.509 1.00 0.00 O ATOM 0 H SER A 5 -17.461 0.326 3.298 1.00 0.00 H new ATOM 0 HA SER A 5 -15.170 -1.296 2.697 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.594 1.336 3.481 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.494 0.433 4.980 1.00 0.00 H new ATOM 0 HG SER A 5 -12.482 0.445 3.826 1.00 0.00 H new ATOM 48 N SER A 6 -16.117 -2.684 4.500 1.00 0.00 N ATOM 49 CA SER A 6 -16.639 -3.541 5.557 1.00 0.00 C ATOM 50 C SER A 6 -16.183 -4.984 5.362 1.00 0.00 C ATOM 51 O SER A 6 -15.722 -5.360 4.285 1.00 0.00 O ATOM 52 CB SER A 6 -18.168 -3.477 5.587 1.00 0.00 C ATOM 53 OG SER A 6 -18.735 -4.381 4.655 1.00 0.00 O ATOM 0 H SER A 6 -15.732 -3.187 3.701 1.00 0.00 H new ATOM 0 HA SER A 6 -16.249 -3.180 6.509 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.525 -3.712 6.590 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.497 -2.463 5.361 1.00 0.00 H new ATOM 0 HG SER A 6 -19.712 -4.322 4.695 1.00 0.00 H new ATOM 59 N GLY A 7 -16.316 -5.788 6.413 1.00 0.00 N ATOM 60 CA GLY A 7 -15.914 -7.180 6.337 1.00 0.00 C ATOM 61 C GLY A 7 -16.992 -8.123 6.833 1.00 0.00 C ATOM 62 O GLY A 7 -18.093 -7.693 7.175 1.00 0.00 O ATOM 0 H GLY A 7 -16.695 -5.500 7.315 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.666 -7.427 5.305 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.009 -7.326 6.926 1.00 0.00 H new ATOM 66 N GLY A 8 -16.676 -9.414 6.872 1.00 0.00 N ATOM 67 CA GLY A 8 -17.637 -10.400 7.329 1.00 0.00 C ATOM 68 C GLY A 8 -18.528 -10.904 6.211 1.00 0.00 C ATOM 69 O GLY A 8 -18.239 -11.928 5.593 1.00 0.00 O ATOM 0 H GLY A 8 -15.771 -9.794 6.595 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -17.106 -11.242 7.773 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -18.255 -9.964 8.113 1.00 0.00 H new ATOM 73 N GLN A 9 -19.614 -10.183 5.952 1.00 0.00 N ATOM 74 CA GLN A 9 -20.551 -10.565 4.902 1.00 0.00 C ATOM 75 C GLN A 9 -19.837 -10.714 3.562 1.00 0.00 C ATOM 76 O GLN A 9 -18.774 -10.130 3.345 1.00 0.00 O ATOM 77 CB GLN A 9 -21.669 -9.528 4.784 1.00 0.00 C ATOM 78 CG GLN A 9 -21.169 -8.128 4.467 1.00 0.00 C ATOM 79 CD GLN A 9 -21.796 -7.070 5.353 1.00 0.00 C ATOM 80 OE1 GLN A 9 -22.450 -6.146 4.868 1.00 0.00 O ATOM 81 NE2 GLN A 9 -21.600 -7.199 6.660 1.00 0.00 N ATOM 0 H GLN A 9 -19.867 -9.332 6.454 1.00 0.00 H new ATOM 0 HA GLN A 9 -20.985 -11.528 5.171 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -22.364 -9.842 4.005 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -22.229 -9.502 5.719 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -20.086 -8.098 4.583 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -21.384 -7.897 3.424 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -21.051 -7.980 7.019 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -21.998 -6.517 7.305 1.00 0.00 H new ATOM 90 N LEU A 10 -20.426 -11.499 2.667 1.00 0.00 N ATOM 91 CA LEU A 10 -19.845 -11.725 1.348 1.00 0.00 C ATOM 92 C LEU A 10 -20.869 -11.457 0.250 1.00 0.00 C ATOM 93 O LEU A 10 -21.856 -12.180 0.117 1.00 0.00 O ATOM 94 CB LEU A 10 -19.326 -13.160 1.237 1.00 0.00 C ATOM 95 CG LEU A 10 -18.416 -13.634 2.371 1.00 0.00 C ATOM 96 CD1 LEU A 10 -18.145 -15.126 2.250 1.00 0.00 C ATOM 97 CD2 LEU A 10 -17.111 -12.851 2.371 1.00 0.00 C ATOM 0 H LEU A 10 -21.305 -11.990 2.830 1.00 0.00 H new ATOM 0 HA LEU A 10 -19.013 -11.033 1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -20.183 -13.832 1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -18.782 -13.257 0.297 1.00 0.00 H new ATOM 0 HG LEU A 10 -18.924 -13.454 3.318 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -17.496 -15.445 3.065 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -19.087 -15.672 2.301 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -17.658 -15.331 1.297 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -16.476 -13.202 3.185 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -16.598 -12.999 1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -17.323 -11.791 2.508 1.00 0.00 H new ATOM 109 N ASP A 11 -20.625 -10.414 -0.537 1.00 0.00 N ATOM 110 CA ASP A 11 -21.523 -10.051 -1.626 1.00 0.00 C ATOM 111 C ASP A 11 -20.886 -9.001 -2.530 1.00 0.00 C ATOM 112 O ASP A 11 -20.314 -8.020 -2.052 1.00 0.00 O ATOM 113 CB ASP A 11 -22.848 -9.527 -1.070 1.00 0.00 C ATOM 114 CG ASP A 11 -23.938 -9.477 -2.123 1.00 0.00 C ATOM 115 OD1 ASP A 11 -23.818 -8.664 -3.063 1.00 0.00 O ATOM 116 OD2 ASP A 11 -24.913 -10.250 -2.006 1.00 0.00 O ATOM 0 H ASP A 11 -19.812 -9.805 -0.440 1.00 0.00 H new ATOM 0 HA ASP A 11 -21.715 -10.946 -2.218 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -23.171 -10.164 -0.247 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -22.697 -8.529 -0.660 1.00 0.00 H new ATOM 121 N LEU A 12 -20.986 -9.213 -3.837 1.00 0.00 N ATOM 122 CA LEU A 12 -20.418 -8.284 -4.809 1.00 0.00 C ATOM 123 C LEU A 12 -21.480 -7.317 -5.322 1.00 0.00 C ATOM 124 O LEU A 12 -22.489 -7.731 -5.893 1.00 0.00 O ATOM 125 CB LEU A 12 -19.804 -9.053 -5.980 1.00 0.00 C ATOM 126 CG LEU A 12 -19.408 -8.218 -7.198 1.00 0.00 C ATOM 127 CD1 LEU A 12 -18.040 -8.638 -7.712 1.00 0.00 C ATOM 128 CD2 LEU A 12 -20.455 -8.346 -8.295 1.00 0.00 C ATOM 0 H LEU A 12 -21.455 -10.020 -4.249 1.00 0.00 H new ATOM 0 HA LEU A 12 -19.638 -7.708 -4.312 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -18.918 -9.577 -5.620 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -20.515 -9.814 -6.302 1.00 0.00 H new ATOM 0 HG LEU A 12 -19.353 -7.172 -6.895 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -17.775 -8.033 -8.579 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -17.297 -8.494 -6.928 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -18.066 -9.689 -7.998 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -20.157 -7.745 -9.154 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -20.542 -9.390 -8.595 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -21.417 -7.994 -7.923 1.00 0.00 H new ATOM 140 N LEU A 13 -21.244 -6.025 -5.117 1.00 0.00 N ATOM 141 CA LEU A 13 -22.179 -4.997 -5.562 1.00 0.00 C ATOM 142 C LEU A 13 -21.494 -4.007 -6.499 1.00 0.00 C ATOM 143 O LEU A 13 -21.507 -2.800 -6.259 1.00 0.00 O ATOM 144 CB LEU A 13 -22.763 -4.257 -4.358 1.00 0.00 C ATOM 145 CG LEU A 13 -24.158 -3.659 -4.549 1.00 0.00 C ATOM 146 CD1 LEU A 13 -25.155 -4.319 -3.610 1.00 0.00 C ATOM 147 CD2 LEU A 13 -24.128 -2.154 -4.327 1.00 0.00 C ATOM 0 H LEU A 13 -20.414 -5.665 -4.646 1.00 0.00 H new ATOM 0 HA LEU A 13 -22.986 -5.486 -6.107 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -22.798 -4.947 -3.515 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -22.079 -3.453 -4.084 1.00 0.00 H new ATOM 0 HG LEU A 13 -24.476 -3.848 -5.574 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -26.142 -3.881 -3.760 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -25.198 -5.388 -3.818 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -24.842 -4.162 -2.578 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -25.129 -1.746 -4.467 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -23.788 -1.942 -3.313 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -23.445 -1.694 -5.042 1.00 0.00 H new ATOM 159 N ARG A 14 -20.899 -4.526 -7.568 1.00 0.00 N ATOM 160 CA ARG A 14 -20.211 -3.688 -8.541 1.00 0.00 C ATOM 161 C ARG A 14 -19.128 -2.850 -7.868 1.00 0.00 C ATOM 162 O ARG A 14 -19.300 -1.650 -7.654 1.00 0.00 O ATOM 163 CB ARG A 14 -21.208 -2.774 -9.255 1.00 0.00 C ATOM 164 CG ARG A 14 -22.017 -3.478 -10.332 1.00 0.00 C ATOM 165 CD ARG A 14 -23.466 -3.015 -10.332 1.00 0.00 C ATOM 166 NE ARG A 14 -23.677 -1.878 -11.224 1.00 0.00 N ATOM 167 CZ ARG A 14 -24.850 -1.274 -11.380 1.00 0.00 C ATOM 168 NH1 ARG A 14 -25.911 -1.696 -10.706 1.00 0.00 N ATOM 169 NH2 ARG A 14 -24.963 -0.246 -12.211 1.00 0.00 N ATOM 0 H ARG A 14 -20.880 -5.523 -7.782 1.00 0.00 H new ATOM 0 HA ARG A 14 -19.738 -4.341 -9.274 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -21.891 -2.350 -8.519 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -20.667 -1.942 -9.705 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -21.572 -3.284 -11.308 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -21.978 -4.555 -10.172 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -24.110 -3.840 -10.637 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -23.759 -2.740 -9.319 1.00 0.00 H new ATOM 0 HE ARG A 14 -22.880 -1.529 -11.756 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -25.828 -2.486 -10.066 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -26.811 -1.231 -10.827 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -24.149 0.081 -12.731 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -25.864 0.217 -12.330 1.00 0.00 H new ATOM 183 N SER A 15 -18.012 -3.491 -7.536 1.00 0.00 N ATOM 184 CA SER A 15 -16.902 -2.806 -6.882 1.00 0.00 C ATOM 185 C SER A 15 -15.998 -2.134 -7.911 1.00 0.00 C ATOM 186 O SER A 15 -15.693 -2.709 -8.955 1.00 0.00 O ATOM 187 CB SER A 15 -16.091 -3.792 -6.040 1.00 0.00 C ATOM 188 OG SER A 15 -16.603 -3.878 -4.721 1.00 0.00 O ATOM 0 H SER A 15 -17.852 -4.483 -7.709 1.00 0.00 H new ATOM 0 HA SER A 15 -17.315 -2.037 -6.229 1.00 0.00 H new ATOM 0 HB2 SER A 15 -16.112 -4.777 -6.507 1.00 0.00 H new ATOM 0 HB3 SER A 15 -15.048 -3.476 -6.009 1.00 0.00 H new ATOM 0 HG SER A 15 -16.068 -4.516 -4.204 1.00 0.00 H new ATOM 194 N ASN A 16 -15.571 -0.913 -7.606 1.00 0.00 N ATOM 195 CA ASN A 16 -14.701 -0.161 -8.504 1.00 0.00 C ATOM 196 C ASN A 16 -13.238 -0.325 -8.107 1.00 0.00 C ATOM 197 O ASN A 16 -12.843 0.009 -6.990 1.00 0.00 O ATOM 198 CB ASN A 16 -15.081 1.321 -8.493 1.00 0.00 C ATOM 199 CG ASN A 16 -16.546 1.545 -8.816 1.00 0.00 C ATOM 200 OD1 ASN A 16 -17.352 1.829 -7.929 1.00 0.00 O ATOM 201 ND2 ASN A 16 -16.897 1.418 -10.090 1.00 0.00 N ATOM 0 H ASN A 16 -15.813 -0.423 -6.745 1.00 0.00 H new ATOM 0 HA ASN A 16 -14.832 -0.555 -9.512 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -14.859 1.743 -7.513 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -14.466 1.856 -9.217 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -17.869 1.557 -10.368 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -16.195 1.181 -10.791 1.00 0.00 H new ATOM 208 N THR A 17 -12.434 -0.843 -9.031 1.00 0.00 N ATOM 209 CA THR A 17 -11.014 -1.053 -8.779 1.00 0.00 C ATOM 210 C THR A 17 -10.189 0.137 -9.256 1.00 0.00 C ATOM 211 O THR A 17 -10.701 1.029 -9.932 1.00 0.00 O ATOM 212 CB THR A 17 -10.503 -2.329 -9.473 1.00 0.00 C ATOM 213 OG1 THR A 17 -11.252 -2.570 -10.670 1.00 0.00 O ATOM 214 CG2 THR A 17 -10.615 -3.531 -8.548 1.00 0.00 C ATOM 0 H THR A 17 -12.743 -1.125 -9.961 1.00 0.00 H new ATOM 0 HA THR A 17 -10.897 -1.163 -7.701 1.00 0.00 H new ATOM 0 HB THR A 17 -9.453 -2.182 -9.726 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.919 -3.382 -11.106 1.00 0.00 H new ATOM 0 HG21 THR A 17 -10.248 -4.420 -9.061 1.00 0.00 H new ATOM 0 HG22 THR A 17 -10.019 -3.357 -7.652 1.00 0.00 H new ATOM 0 HG23 THR A 17 -11.658 -3.678 -8.268 1.00 0.00 H new ATOM 222 N GLY A 18 -8.908 0.144 -8.901 1.00 0.00 N ATOM 223 CA GLY A 18 -8.033 1.229 -9.303 1.00 0.00 C ATOM 224 C GLY A 18 -6.971 0.783 -10.288 1.00 0.00 C ATOM 225 O GLY A 18 -7.285 0.360 -11.402 1.00 0.00 O ATOM 0 H GLY A 18 -8.461 -0.583 -8.342 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.628 2.025 -9.751 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.552 1.649 -8.420 1.00 0.00 H new ATOM 229 N LEU A 19 -5.710 0.879 -9.881 1.00 0.00 N ATOM 230 CA LEU A 19 -4.597 0.484 -10.737 1.00 0.00 C ATOM 231 C LEU A 19 -3.908 -0.764 -10.193 1.00 0.00 C ATOM 232 O LEU A 19 -3.972 -1.050 -8.997 1.00 0.00 O ATOM 233 CB LEU A 19 -3.588 1.627 -10.855 1.00 0.00 C ATOM 234 CG LEU A 19 -3.729 2.523 -12.087 1.00 0.00 C ATOM 235 CD1 LEU A 19 -3.790 3.986 -11.678 1.00 0.00 C ATOM 236 CD2 LEU A 19 -2.579 2.284 -13.054 1.00 0.00 C ATOM 0 H LEU A 19 -5.433 1.227 -8.963 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.995 0.255 -11.726 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.671 2.251 -9.965 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.585 1.201 -10.853 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.661 2.270 -12.593 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.890 4.608 -12.567 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.648 4.146 -11.025 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.876 4.254 -11.149 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.695 2.930 -13.924 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.634 2.509 -12.559 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.582 1.242 -13.372 1.00 0.00 H new ATOM 248 N LEU A 20 -3.248 -1.502 -11.078 1.00 0.00 N ATOM 249 CA LEU A 20 -2.544 -2.718 -10.687 1.00 0.00 C ATOM 250 C LEU A 20 -1.052 -2.453 -10.516 1.00 0.00 C ATOM 251 O LEU A 20 -0.491 -1.567 -11.161 1.00 0.00 O ATOM 252 CB LEU A 20 -2.762 -3.815 -11.730 1.00 0.00 C ATOM 253 CG LEU A 20 -2.384 -5.234 -11.302 1.00 0.00 C ATOM 254 CD1 LEU A 20 -3.127 -5.625 -10.034 1.00 0.00 C ATOM 255 CD2 LEU A 20 -2.676 -6.224 -12.420 1.00 0.00 C ATOM 0 H LEU A 20 -3.186 -1.280 -12.072 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.947 -3.049 -9.730 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.814 -3.812 -12.017 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.188 -3.561 -12.621 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.314 -5.257 -11.094 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.845 -6.638 -9.745 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.868 -4.933 -9.232 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.201 -5.585 -10.215 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.401 -7.228 -12.098 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.739 -6.198 -12.660 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.098 -5.955 -13.304 1.00 0.00 H new ATOM 267 N TYR A 21 -0.415 -3.228 -9.645 1.00 0.00 N ATOM 268 CA TYR A 21 1.013 -3.076 -9.389 1.00 0.00 C ATOM 269 C TYR A 21 1.702 -4.436 -9.324 1.00 0.00 C ATOM 270 O TYR A 21 1.098 -5.432 -8.926 1.00 0.00 O ATOM 271 CB TYR A 21 1.240 -2.314 -8.083 1.00 0.00 C ATOM 272 CG TYR A 21 1.375 -0.819 -8.270 1.00 0.00 C ATOM 273 CD1 TYR A 21 0.255 0.001 -8.304 1.00 0.00 C ATOM 274 CD2 TYR A 21 2.625 -0.228 -8.411 1.00 0.00 C ATOM 275 CE1 TYR A 21 0.374 1.366 -8.476 1.00 0.00 C ATOM 276 CE2 TYR A 21 2.754 1.137 -8.581 1.00 0.00 C ATOM 277 CZ TYR A 21 1.625 1.930 -8.613 1.00 0.00 C ATOM 278 OH TYR A 21 1.748 3.290 -8.782 1.00 0.00 O ATOM 0 H TYR A 21 -0.864 -3.967 -9.105 1.00 0.00 H new ATOM 0 HA TYR A 21 1.446 -2.508 -10.213 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.409 -2.514 -7.406 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.141 -2.694 -7.602 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.726 -0.436 -8.194 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.510 -0.846 -8.387 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.508 1.989 -8.503 1.00 0.00 H new ATOM 0 HE2 TYR A 21 3.733 1.581 -8.688 1.00 0.00 H new ATOM 0 HH TYR A 21 2.696 3.525 -8.862 1.00 0.00 H new ATOM 288 N ARG A 22 2.971 -4.468 -9.718 1.00 0.00 N ATOM 289 CA ARG A 22 3.743 -5.705 -9.705 1.00 0.00 C ATOM 290 C ARG A 22 5.216 -5.423 -9.422 1.00 0.00 C ATOM 291 O ARG A 22 5.703 -4.318 -9.662 1.00 0.00 O ATOM 292 CB ARG A 22 3.600 -6.434 -11.042 1.00 0.00 C ATOM 293 CG ARG A 22 2.344 -7.285 -11.140 1.00 0.00 C ATOM 294 CD ARG A 22 2.092 -7.743 -12.568 1.00 0.00 C ATOM 295 NE ARG A 22 3.148 -8.628 -13.053 1.00 0.00 N ATOM 296 CZ ARG A 22 3.311 -8.944 -14.333 1.00 0.00 C ATOM 297 NH1 ARG A 22 2.492 -8.449 -15.251 1.00 0.00 N ATOM 298 NH2 ARG A 22 4.296 -9.755 -14.697 1.00 0.00 N ATOM 0 H ARG A 22 3.486 -3.652 -10.050 1.00 0.00 H new ATOM 0 HA ARG A 22 3.353 -6.340 -8.909 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.595 -5.700 -11.848 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.472 -7.070 -11.195 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.440 -8.154 -10.490 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.487 -6.713 -10.783 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.134 -8.260 -12.619 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.020 -6.873 -13.221 1.00 0.00 H new ATOM 0 HE ARG A 22 3.795 -9.025 -12.372 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.735 -7.824 -14.975 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.619 -8.693 -16.233 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.929 -10.136 -13.994 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.420 -9.997 -15.680 1.00 0.00 H new ATOM 312 N ILE A 23 5.918 -6.429 -8.912 1.00 0.00 N ATOM 313 CA ILE A 23 7.335 -6.289 -8.598 1.00 0.00 C ATOM 314 C ILE A 23 8.202 -6.645 -9.800 1.00 0.00 C ATOM 315 O ILE A 23 7.786 -7.402 -10.678 1.00 0.00 O ATOM 316 CB ILE A 23 7.738 -7.178 -7.406 1.00 0.00 C ATOM 317 CG1 ILE A 23 7.383 -8.639 -7.690 1.00 0.00 C ATOM 318 CG2 ILE A 23 7.055 -6.700 -6.134 1.00 0.00 C ATOM 319 CD1 ILE A 23 8.263 -9.628 -6.956 1.00 0.00 C ATOM 0 H ILE A 23 5.529 -7.350 -8.707 1.00 0.00 H new ATOM 0 HA ILE A 23 7.498 -5.244 -8.333 1.00 0.00 H new ATOM 0 HB ILE A 23 8.816 -7.105 -7.265 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.344 -8.813 -7.411 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.460 -8.822 -8.762 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.350 -7.338 -5.301 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.351 -5.672 -5.926 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.974 -6.747 -6.262 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.955 -10.644 -7.204 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.301 -9.481 -7.253 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.167 -9.472 -5.881 1.00 0.00 H new ATOM 331 N LYS A 24 9.412 -6.097 -9.833 1.00 0.00 N ATOM 332 CA LYS A 24 10.342 -6.358 -10.925 1.00 0.00 C ATOM 333 C LYS A 24 11.456 -7.299 -10.478 1.00 0.00 C ATOM 334 O LYS A 24 12.126 -7.051 -9.475 1.00 0.00 O ATOM 335 CB LYS A 24 10.942 -5.047 -11.437 1.00 0.00 C ATOM 336 CG LYS A 24 10.818 -4.867 -12.940 1.00 0.00 C ATOM 337 CD LYS A 24 12.155 -4.517 -13.572 1.00 0.00 C ATOM 338 CE LYS A 24 12.216 -4.958 -15.026 1.00 0.00 C ATOM 339 NZ LYS A 24 13.578 -5.424 -15.407 1.00 0.00 N ATOM 0 H LYS A 24 9.772 -5.468 -9.115 1.00 0.00 H new ATOM 0 HA LYS A 24 9.788 -6.836 -11.733 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.450 -4.212 -10.938 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.996 -5.007 -11.160 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.432 -5.784 -13.386 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.096 -4.079 -13.155 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.318 -3.441 -13.510 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.959 -4.994 -13.012 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.498 -5.761 -15.193 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.922 -4.129 -15.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.578 -5.716 -16.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.260 -4.650 -15.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.848 -6.232 -14.810 1.00 0.00 H new ATOM 353 N ASP A 25 11.650 -8.378 -11.228 1.00 0.00 N ATOM 354 CA ASP A 25 12.686 -9.354 -10.910 1.00 0.00 C ATOM 355 C ASP A 25 12.501 -9.902 -9.498 1.00 0.00 C ATOM 356 O ASP A 25 11.555 -9.538 -8.799 1.00 0.00 O ATOM 357 CB ASP A 25 14.072 -8.723 -11.048 1.00 0.00 C ATOM 358 CG ASP A 25 14.936 -9.442 -12.065 1.00 0.00 C ATOM 359 OD1 ASP A 25 14.820 -9.130 -13.269 1.00 0.00 O ATOM 360 OD2 ASP A 25 15.730 -10.315 -11.657 1.00 0.00 O ATOM 0 H ASP A 25 11.104 -8.599 -12.060 1.00 0.00 H new ATOM 0 HA ASP A 25 12.600 -10.180 -11.616 1.00 0.00 H new ATOM 0 HB2 ASP A 25 13.965 -7.678 -11.340 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.571 -8.734 -10.079 1.00 0.00 H new ATOM 365 N SER A 26 13.410 -10.779 -9.085 1.00 0.00 N ATOM 366 CA SER A 26 13.345 -11.380 -7.758 1.00 0.00 C ATOM 367 C SER A 26 14.706 -11.330 -7.071 1.00 0.00 C ATOM 368 O SER A 26 14.801 -11.036 -5.880 1.00 0.00 O ATOM 369 CB SER A 26 12.864 -12.829 -7.855 1.00 0.00 C ATOM 370 OG SER A 26 13.875 -13.668 -8.386 1.00 0.00 O ATOM 0 H SER A 26 14.200 -11.089 -9.650 1.00 0.00 H new ATOM 0 HA SER A 26 12.635 -10.807 -7.161 1.00 0.00 H new ATOM 0 HB2 SER A 26 12.573 -13.186 -6.867 1.00 0.00 H new ATOM 0 HB3 SER A 26 11.977 -12.879 -8.486 1.00 0.00 H new ATOM 0 HG SER A 26 13.543 -14.589 -8.436 1.00 0.00 H new ATOM 376 N GLN A 27 15.757 -11.618 -7.832 1.00 0.00 N ATOM 377 CA GLN A 27 17.113 -11.606 -7.297 1.00 0.00 C ATOM 378 C GLN A 27 17.516 -10.200 -6.865 1.00 0.00 C ATOM 379 O GLN A 27 17.880 -9.975 -5.712 1.00 0.00 O ATOM 380 CB GLN A 27 18.100 -12.134 -8.340 1.00 0.00 C ATOM 381 CG GLN A 27 19.095 -13.139 -7.781 1.00 0.00 C ATOM 382 CD GLN A 27 20.516 -12.866 -8.234 1.00 0.00 C ATOM 383 OE1 GLN A 27 21.106 -13.653 -8.975 1.00 0.00 O ATOM 384 NE2 GLN A 27 21.075 -11.747 -7.790 1.00 0.00 N ATOM 0 H GLN A 27 15.695 -11.862 -8.820 1.00 0.00 H new ATOM 0 HA GLN A 27 17.137 -12.256 -6.422 1.00 0.00 H new ATOM 0 HB2 GLN A 27 17.543 -12.600 -9.152 1.00 0.00 H new ATOM 0 HB3 GLN A 27 18.646 -11.294 -8.769 1.00 0.00 H new ATOM 0 HG2 GLN A 27 19.054 -13.118 -6.692 1.00 0.00 H new ATOM 0 HG3 GLN A 27 18.805 -14.143 -8.091 1.00 0.00 H new ATOM 0 HE21 GLN A 27 20.550 -11.123 -7.177 1.00 0.00 H new ATOM 0 HE22 GLN A 27 22.030 -11.511 -8.061 1.00 0.00 H new ATOM 393 N ASN A 28 17.448 -9.257 -7.799 1.00 0.00 N ATOM 394 CA ASN A 28 17.806 -7.872 -7.515 1.00 0.00 C ATOM 395 C ASN A 28 16.693 -7.169 -6.745 1.00 0.00 C ATOM 396 O ASN A 28 15.735 -6.671 -7.335 1.00 0.00 O ATOM 397 CB ASN A 28 18.095 -7.121 -8.816 1.00 0.00 C ATOM 398 CG ASN A 28 19.464 -7.447 -9.381 1.00 0.00 C ATOM 399 OD1 ASN A 28 20.298 -8.052 -8.707 1.00 0.00 O ATOM 400 ND2 ASN A 28 19.702 -7.045 -10.624 1.00 0.00 N ATOM 0 H ASN A 28 17.148 -9.427 -8.759 1.00 0.00 H new ATOM 0 HA ASN A 28 18.704 -7.875 -6.898 1.00 0.00 H new ATOM 0 HB2 ASN A 28 17.332 -7.371 -9.553 1.00 0.00 H new ATOM 0 HB3 ASN A 28 18.025 -6.048 -8.636 1.00 0.00 H new ATOM 0 HD21 ASN A 28 20.606 -7.235 -11.057 1.00 0.00 H new ATOM 0 HD22 ASN A 28 18.981 -6.546 -11.146 1.00 0.00 H new ATOM 407 N ALA A 29 16.827 -7.133 -5.423 1.00 0.00 N ATOM 408 CA ALA A 29 15.834 -6.489 -4.572 1.00 0.00 C ATOM 409 C ALA A 29 16.428 -6.123 -3.216 1.00 0.00 C ATOM 410 O ALA A 29 15.750 -6.191 -2.192 1.00 0.00 O ATOM 411 CB ALA A 29 14.625 -7.395 -4.393 1.00 0.00 C ATOM 0 H ALA A 29 17.613 -7.542 -4.918 1.00 0.00 H new ATOM 0 HA ALA A 29 15.515 -5.568 -5.061 1.00 0.00 H new ATOM 0 HB1 ALA A 29 13.892 -6.901 -3.755 1.00 0.00 H new ATOM 0 HB2 ALA A 29 14.179 -7.603 -5.366 1.00 0.00 H new ATOM 0 HB3 ALA A 29 14.937 -8.331 -3.930 1.00 0.00 H new ATOM 417 N GLY A 30 17.700 -5.735 -3.217 1.00 0.00 N ATOM 418 CA GLY A 30 18.363 -5.364 -1.981 1.00 0.00 C ATOM 419 C GLY A 30 19.076 -4.030 -2.082 1.00 0.00 C ATOM 420 O GLY A 30 20.035 -3.773 -1.356 1.00 0.00 O ATOM 0 H GLY A 30 18.283 -5.671 -4.052 1.00 0.00 H new ATOM 0 HA2 GLY A 30 17.628 -5.319 -1.177 1.00 0.00 H new ATOM 0 HA3 GLY A 30 19.083 -6.137 -1.712 1.00 0.00 H new ATOM 424 N LYS A 31 18.606 -3.178 -2.988 1.00 0.00 N ATOM 425 CA LYS A 31 19.204 -1.863 -3.183 1.00 0.00 C ATOM 426 C LYS A 31 18.335 -0.773 -2.564 1.00 0.00 C ATOM 427 O LYS A 31 18.368 0.380 -2.994 1.00 0.00 O ATOM 428 CB LYS A 31 19.401 -1.586 -4.676 1.00 0.00 C ATOM 429 CG LYS A 31 20.570 -2.340 -5.285 1.00 0.00 C ATOM 430 CD LYS A 31 20.237 -2.858 -6.674 1.00 0.00 C ATOM 431 CE LYS A 31 20.252 -1.739 -7.704 1.00 0.00 C ATOM 432 NZ LYS A 31 21.519 -1.722 -8.486 1.00 0.00 N ATOM 0 H LYS A 31 17.813 -3.375 -3.598 1.00 0.00 H new ATOM 0 HA LYS A 31 20.174 -1.856 -2.687 1.00 0.00 H new ATOM 0 HB2 LYS A 31 18.489 -1.853 -5.210 1.00 0.00 H new ATOM 0 HB3 LYS A 31 19.554 -0.517 -4.822 1.00 0.00 H new ATOM 0 HG2 LYS A 31 21.439 -1.684 -5.339 1.00 0.00 H new ATOM 0 HG3 LYS A 31 20.841 -3.175 -4.640 1.00 0.00 H new ATOM 0 HD2 LYS A 31 20.956 -3.626 -6.959 1.00 0.00 H new ATOM 0 HD3 LYS A 31 19.254 -3.330 -6.662 1.00 0.00 H new ATOM 0 HE2 LYS A 31 19.408 -1.859 -8.383 1.00 0.00 H new ATOM 0 HE3 LYS A 31 20.123 -0.781 -7.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 21.490 -0.945 -9.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 22.323 -1.582 -7.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 21.630 -2.627 -8.987 1.00 0.00 H new ATOM 446 N MET A 32 17.560 -1.145 -1.550 1.00 0.00 N ATOM 447 CA MET A 32 16.685 -0.197 -0.870 1.00 0.00 C ATOM 448 C MET A 32 17.488 0.734 0.031 1.00 0.00 C ATOM 449 O MET A 32 18.681 0.525 0.252 1.00 0.00 O ATOM 450 CB MET A 32 15.634 -0.943 -0.045 1.00 0.00 C ATOM 451 CG MET A 32 14.746 -1.857 -0.875 1.00 0.00 C ATOM 452 SD MET A 32 13.335 -2.485 0.055 1.00 0.00 S ATOM 453 CE MET A 32 11.978 -1.931 -0.975 1.00 0.00 C ATOM 0 H MET A 32 17.520 -2.095 -1.182 1.00 0.00 H new ATOM 0 HA MET A 32 16.183 0.404 -1.628 1.00 0.00 H new ATOM 0 HB2 MET A 32 16.137 -1.535 0.719 1.00 0.00 H new ATOM 0 HB3 MET A 32 15.009 -0.217 0.475 1.00 0.00 H new ATOM 0 HG2 MET A 32 14.387 -1.313 -1.749 1.00 0.00 H new ATOM 0 HG3 MET A 32 15.337 -2.696 -1.242 1.00 0.00 H new ATOM 0 HE1 MET A 32 11.036 -2.085 -0.449 1.00 0.00 H new ATOM 0 HE2 MET A 32 12.100 -0.871 -1.199 1.00 0.00 H new ATOM 0 HE3 MET A 32 11.971 -2.500 -1.905 1.00 0.00 H new ATOM 463 N LYS A 33 16.828 1.764 0.550 1.00 0.00 N ATOM 464 CA LYS A 33 17.479 2.728 1.428 1.00 0.00 C ATOM 465 C LYS A 33 16.466 3.712 2.003 1.00 0.00 C ATOM 466 O LYS A 33 16.267 3.776 3.216 1.00 0.00 O ATOM 467 CB LYS A 33 18.568 3.488 0.667 1.00 0.00 C ATOM 468 CG LYS A 33 19.386 4.419 1.545 1.00 0.00 C ATOM 469 CD LYS A 33 19.999 5.551 0.737 1.00 0.00 C ATOM 470 CE LYS A 33 20.666 6.581 1.637 1.00 0.00 C ATOM 471 NZ LYS A 33 21.933 7.095 1.047 1.00 0.00 N ATOM 0 H LYS A 33 15.841 1.952 0.377 1.00 0.00 H new ATOM 0 HA LYS A 33 17.935 2.180 2.252 1.00 0.00 H new ATOM 0 HB2 LYS A 33 19.236 2.770 0.192 1.00 0.00 H new ATOM 0 HB3 LYS A 33 18.105 4.068 -0.131 1.00 0.00 H new ATOM 0 HG2 LYS A 33 18.752 4.832 2.329 1.00 0.00 H new ATOM 0 HG3 LYS A 33 20.176 3.854 2.039 1.00 0.00 H new ATOM 0 HD2 LYS A 33 20.733 5.146 0.040 1.00 0.00 H new ATOM 0 HD3 LYS A 33 19.225 6.034 0.140 1.00 0.00 H new ATOM 0 HE2 LYS A 33 19.981 7.412 1.808 1.00 0.00 H new ATOM 0 HE3 LYS A 33 20.873 6.134 2.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 22.357 7.794 1.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 22.596 6.306 0.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 21.732 7.544 0.131 1.00 0.00 H new ATOM 485 N GLY A 34 15.825 4.477 1.124 1.00 0.00 N ATOM 486 CA GLY A 34 14.839 5.446 1.564 1.00 0.00 C ATOM 487 C GLY A 34 13.597 4.791 2.137 1.00 0.00 C ATOM 488 O GLY A 34 12.790 4.225 1.400 1.00 0.00 O ATOM 0 H GLY A 34 15.971 4.443 0.115 1.00 0.00 H new ATOM 0 HA2 GLY A 34 15.284 6.096 2.318 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.557 6.080 0.723 1.00 0.00 H new ATOM 492 N SER A 35 13.445 4.867 3.455 1.00 0.00 N ATOM 493 CA SER A 35 12.296 4.271 4.127 1.00 0.00 C ATOM 494 C SER A 35 12.156 2.797 3.760 1.00 0.00 C ATOM 495 O SER A 35 11.055 2.315 3.491 1.00 0.00 O ATOM 496 CB SER A 35 11.016 5.024 3.758 1.00 0.00 C ATOM 497 OG SER A 35 9.947 4.662 4.614 1.00 0.00 O ATOM 0 H SER A 35 14.103 5.335 4.079 1.00 0.00 H new ATOM 0 HA SER A 35 12.456 4.346 5.203 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.191 6.098 3.823 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.748 4.807 2.724 1.00 0.00 H new ATOM 0 HG SER A 35 9.843 3.688 4.614 1.00 0.00 H new ATOM 503 N ASP A 36 13.278 2.087 3.751 1.00 0.00 N ATOM 504 CA ASP A 36 13.282 0.667 3.418 1.00 0.00 C ATOM 505 C ASP A 36 12.268 -0.093 4.267 1.00 0.00 C ATOM 506 O ASP A 36 11.685 -1.079 3.819 1.00 0.00 O ATOM 507 CB ASP A 36 14.679 0.078 3.621 1.00 0.00 C ATOM 508 CG ASP A 36 15.039 -0.067 5.087 1.00 0.00 C ATOM 509 OD1 ASP A 36 15.377 0.956 5.718 1.00 0.00 O ATOM 510 OD2 ASP A 36 14.983 -1.203 5.602 1.00 0.00 O ATOM 0 H ASP A 36 14.197 2.471 3.970 1.00 0.00 H new ATOM 0 HA ASP A 36 13.001 0.564 2.370 1.00 0.00 H new ATOM 0 HB2 ASP A 36 14.732 -0.898 3.139 1.00 0.00 H new ATOM 0 HB3 ASP A 36 15.414 0.716 3.131 1.00 0.00 H new ATOM 515 N ASN A 37 12.063 0.374 5.494 1.00 0.00 N ATOM 516 CA ASN A 37 11.120 -0.263 6.407 1.00 0.00 C ATOM 517 C ASN A 37 9.712 -0.263 5.821 1.00 0.00 C ATOM 518 O ASN A 37 9.200 -1.305 5.411 1.00 0.00 O ATOM 519 CB ASN A 37 11.122 0.454 7.758 1.00 0.00 C ATOM 520 CG ASN A 37 12.445 0.313 8.486 1.00 0.00 C ATOM 521 OD1 ASN A 37 13.232 1.258 8.555 1.00 0.00 O ATOM 522 ND2 ASN A 37 12.696 -0.870 9.033 1.00 0.00 N ATOM 0 H ASN A 37 12.537 1.191 5.879 1.00 0.00 H new ATOM 0 HA ASN A 37 11.435 -1.297 6.552 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.905 1.511 7.605 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.323 0.052 8.381 1.00 0.00 H new ATOM 0 HD21 ASN A 37 13.570 -1.024 9.535 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.015 -1.625 8.951 1.00 0.00 H new ATOM 529 N GLN A 38 9.092 0.912 5.784 1.00 0.00 N ATOM 530 CA GLN A 38 7.743 1.047 5.248 1.00 0.00 C ATOM 531 C GLN A 38 7.671 0.527 3.816 1.00 0.00 C ATOM 532 O GLN A 38 6.618 0.086 3.358 1.00 0.00 O ATOM 533 CB GLN A 38 7.296 2.509 5.295 1.00 0.00 C ATOM 534 CG GLN A 38 6.042 2.736 6.122 1.00 0.00 C ATOM 535 CD GLN A 38 6.309 3.542 7.378 1.00 0.00 C ATOM 536 OE1 GLN A 38 7.092 4.492 7.364 1.00 0.00 O ATOM 537 NE2 GLN A 38 5.658 3.167 8.473 1.00 0.00 N ATOM 0 H GLN A 38 9.502 1.784 6.119 1.00 0.00 H new ATOM 0 HA GLN A 38 7.073 0.450 5.866 1.00 0.00 H new ATOM 0 HB2 GLN A 38 8.105 3.114 5.704 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.119 2.859 4.278 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.299 3.253 5.514 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.614 1.772 6.398 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.018 2.373 8.439 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.798 3.673 9.348 1.00 0.00 H new ATOM 546 N GLU A 39 8.799 0.582 3.114 1.00 0.00 N ATOM 547 CA GLU A 39 8.863 0.117 1.734 1.00 0.00 C ATOM 548 C GLU A 39 8.747 -1.403 1.665 1.00 0.00 C ATOM 549 O GLU A 39 8.045 -1.946 0.812 1.00 0.00 O ATOM 550 CB GLU A 39 10.170 0.570 1.080 1.00 0.00 C ATOM 551 CG GLU A 39 10.098 1.961 0.472 1.00 0.00 C ATOM 552 CD GLU A 39 11.352 2.328 -0.296 1.00 0.00 C ATOM 553 OE1 GLU A 39 12.297 1.512 -0.313 1.00 0.00 O ATOM 554 OE2 GLU A 39 11.390 3.432 -0.879 1.00 0.00 O ATOM 0 H GLU A 39 9.680 0.944 3.479 1.00 0.00 H new ATOM 0 HA GLU A 39 8.024 0.553 1.192 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.965 0.549 1.825 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.443 -0.143 0.302 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.238 2.017 -0.196 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.935 2.692 1.264 1.00 0.00 H new ATOM 561 N LYS A 40 9.442 -2.085 2.570 1.00 0.00 N ATOM 562 CA LYS A 40 9.418 -3.542 2.614 1.00 0.00 C ATOM 563 C LYS A 40 7.998 -4.056 2.827 1.00 0.00 C ATOM 564 O LYS A 40 7.554 -4.983 2.147 1.00 0.00 O ATOM 565 CB LYS A 40 10.329 -4.053 3.732 1.00 0.00 C ATOM 566 CG LYS A 40 11.742 -4.366 3.270 1.00 0.00 C ATOM 567 CD LYS A 40 12.604 -4.871 4.415 1.00 0.00 C ATOM 568 CE LYS A 40 12.823 -6.373 4.328 1.00 0.00 C ATOM 569 NZ LYS A 40 13.867 -6.838 5.283 1.00 0.00 N ATOM 0 H LYS A 40 10.029 -1.651 3.283 1.00 0.00 H new ATOM 0 HA LYS A 40 9.782 -3.916 1.657 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.372 -3.306 4.524 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.890 -4.952 4.165 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.710 -5.116 2.480 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.192 -3.471 2.842 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.567 -4.360 4.399 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.129 -4.626 5.365 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.886 -6.889 4.535 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.116 -6.639 3.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.987 -7.867 5.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.768 -6.365 5.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.576 -6.607 6.255 1.00 0.00 H new ATOM 583 N LEU A 41 7.288 -3.449 3.772 1.00 0.00 N ATOM 584 CA LEU A 41 5.917 -3.845 4.072 1.00 0.00 C ATOM 585 C LEU A 41 5.065 -3.861 2.807 1.00 0.00 C ATOM 586 O LEU A 41 4.174 -4.698 2.656 1.00 0.00 O ATOM 587 CB LEU A 41 5.304 -2.893 5.100 1.00 0.00 C ATOM 588 CG LEU A 41 3.818 -3.095 5.401 1.00 0.00 C ATOM 589 CD1 LEU A 41 3.583 -4.454 6.040 1.00 0.00 C ATOM 590 CD2 LEU A 41 3.300 -1.983 6.301 1.00 0.00 C ATOM 0 H LEU A 41 7.639 -2.681 4.343 1.00 0.00 H new ATOM 0 HA LEU A 41 5.939 -4.853 4.486 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.860 -2.991 6.033 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.447 -1.871 4.750 1.00 0.00 H new ATOM 0 HG LEU A 41 3.268 -3.059 4.460 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.520 -4.580 6.247 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.916 -5.238 5.360 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.144 -4.520 6.972 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.241 -2.143 6.505 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.854 -1.986 7.239 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.433 -1.022 5.805 1.00 0.00 H new ATOM 602 N VAL A 42 5.346 -2.933 1.898 1.00 0.00 N ATOM 603 CA VAL A 42 4.609 -2.842 0.644 1.00 0.00 C ATOM 604 C VAL A 42 5.156 -3.823 -0.388 1.00 0.00 C ATOM 605 O VAL A 42 4.404 -4.583 -0.998 1.00 0.00 O ATOM 606 CB VAL A 42 4.664 -1.418 0.061 1.00 0.00 C ATOM 607 CG1 VAL A 42 3.769 -1.306 -1.163 1.00 0.00 C ATOM 608 CG2 VAL A 42 4.269 -0.396 1.116 1.00 0.00 C ATOM 0 H VAL A 42 6.080 -2.233 2.007 1.00 0.00 H new ATOM 0 HA VAL A 42 3.573 -3.094 0.868 1.00 0.00 H new ATOM 0 HB VAL A 42 5.688 -1.210 -0.249 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.821 -0.292 -1.561 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.103 -2.012 -1.924 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.740 -1.533 -0.884 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.313 0.605 0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.254 -0.600 1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.956 -0.460 1.960 1.00 0.00 H new ATOM 618 N TYR A 43 6.471 -3.801 -0.577 1.00 0.00 N ATOM 619 CA TYR A 43 7.120 -4.686 -1.536 1.00 0.00 C ATOM 620 C TYR A 43 6.801 -6.147 -1.232 1.00 0.00 C ATOM 621 O TYR A 43 6.805 -6.993 -2.126 1.00 0.00 O ATOM 622 CB TYR A 43 8.634 -4.470 -1.519 1.00 0.00 C ATOM 623 CG TYR A 43 9.366 -5.224 -2.605 1.00 0.00 C ATOM 624 CD1 TYR A 43 9.712 -6.560 -2.439 1.00 0.00 C ATOM 625 CD2 TYR A 43 9.712 -4.602 -3.799 1.00 0.00 C ATOM 626 CE1 TYR A 43 10.381 -7.253 -3.429 1.00 0.00 C ATOM 627 CE2 TYR A 43 10.381 -5.287 -4.794 1.00 0.00 C ATOM 628 CZ TYR A 43 10.713 -6.612 -4.605 1.00 0.00 C ATOM 629 OH TYR A 43 11.379 -7.300 -5.594 1.00 0.00 O ATOM 0 H TYR A 43 7.108 -3.180 -0.078 1.00 0.00 H new ATOM 0 HA TYR A 43 6.737 -4.447 -2.528 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.842 -3.405 -1.625 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.025 -4.776 -0.549 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.453 -7.065 -1.520 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.453 -3.565 -3.951 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.643 -8.291 -3.283 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.643 -4.788 -5.715 1.00 0.00 H new ATOM 0 HH TYR A 43 11.537 -6.705 -6.357 1.00 0.00 H new ATOM 639 N GLN A 44 6.523 -6.433 0.036 1.00 0.00 N ATOM 640 CA GLN A 44 6.201 -7.791 0.459 1.00 0.00 C ATOM 641 C GLN A 44 4.831 -8.213 -0.062 1.00 0.00 C ATOM 642 O GLN A 44 4.659 -9.332 -0.547 1.00 0.00 O ATOM 643 CB GLN A 44 6.233 -7.894 1.985 1.00 0.00 C ATOM 644 CG GLN A 44 7.639 -7.941 2.562 1.00 0.00 C ATOM 645 CD GLN A 44 8.267 -9.317 2.456 1.00 0.00 C ATOM 646 OE1 GLN A 44 7.978 -10.207 3.257 1.00 0.00 O ATOM 647 NE2 GLN A 44 9.131 -9.499 1.464 1.00 0.00 N ATOM 0 H GLN A 44 6.514 -5.743 0.787 1.00 0.00 H new ATOM 0 HA GLN A 44 6.951 -8.462 0.041 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.703 -7.041 2.410 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.693 -8.790 2.292 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.266 -7.218 2.040 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.608 -7.639 3.609 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.341 -8.733 0.824 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.585 -10.404 1.343 1.00 0.00 H new ATOM 656 N ILE A 45 3.861 -7.312 0.041 1.00 0.00 N ATOM 657 CA ILE A 45 2.507 -7.591 -0.420 1.00 0.00 C ATOM 658 C ILE A 45 2.447 -7.654 -1.943 1.00 0.00 C ATOM 659 O ILE A 45 1.748 -8.493 -2.512 1.00 0.00 O ATOM 660 CB ILE A 45 1.511 -6.527 0.078 1.00 0.00 C ATOM 661 CG1 ILE A 45 1.533 -6.452 1.606 1.00 0.00 C ATOM 662 CG2 ILE A 45 0.109 -6.838 -0.423 1.00 0.00 C ATOM 663 CD1 ILE A 45 0.813 -5.244 2.162 1.00 0.00 C ATOM 0 H ILE A 45 3.987 -6.382 0.440 1.00 0.00 H new ATOM 0 HA ILE A 45 2.227 -8.560 -0.007 1.00 0.00 H new ATOM 0 HB ILE A 45 1.810 -5.557 -0.319 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.078 -7.355 2.013 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.568 -6.436 1.946 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.583 -6.077 -0.063 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.105 -6.845 -1.513 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.201 -7.815 -0.053 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.869 -5.256 3.250 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.282 -4.335 1.785 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.232 -5.269 1.852 1.00 0.00 H new ATOM 675 N ILE A 46 3.186 -6.763 -2.596 1.00 0.00 N ATOM 676 CA ILE A 46 3.219 -6.720 -4.052 1.00 0.00 C ATOM 677 C ILE A 46 3.982 -7.912 -4.621 1.00 0.00 C ATOM 678 O ILE A 46 3.606 -8.466 -5.653 1.00 0.00 O ATOM 679 CB ILE A 46 3.867 -5.419 -4.562 1.00 0.00 C ATOM 680 CG1 ILE A 46 3.151 -4.202 -3.974 1.00 0.00 C ATOM 681 CG2 ILE A 46 3.840 -5.374 -6.082 1.00 0.00 C ATOM 682 CD1 ILE A 46 3.852 -2.892 -4.258 1.00 0.00 C ATOM 0 H ILE A 46 3.769 -6.062 -2.140 1.00 0.00 H new ATOM 0 HA ILE A 46 2.184 -6.759 -4.392 1.00 0.00 H new ATOM 0 HB ILE A 46 4.907 -5.397 -4.236 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.139 -4.157 -4.375 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.061 -4.330 -2.895 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.301 -4.449 -6.427 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.392 -6.225 -6.481 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.808 -5.416 -6.429 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.288 -2.073 -3.811 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.855 -2.916 -3.832 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.919 -2.741 -5.335 1.00 0.00 H new ATOM 694 N GLU A 47 5.055 -8.301 -3.939 1.00 0.00 N ATOM 695 CA GLU A 47 5.870 -9.428 -4.376 1.00 0.00 C ATOM 696 C GLU A 47 5.059 -10.721 -4.367 1.00 0.00 C ATOM 697 O GLU A 47 5.134 -11.519 -5.302 1.00 0.00 O ATOM 698 CB GLU A 47 7.098 -9.577 -3.476 1.00 0.00 C ATOM 699 CG GLU A 47 7.960 -10.781 -3.817 1.00 0.00 C ATOM 700 CD GLU A 47 7.776 -11.926 -2.841 1.00 0.00 C ATOM 701 OE1 GLU A 47 6.717 -12.586 -2.895 1.00 0.00 O ATOM 702 OE2 GLU A 47 8.689 -12.162 -2.023 1.00 0.00 O ATOM 0 H GLU A 47 5.380 -7.852 -3.082 1.00 0.00 H new ATOM 0 HA GLU A 47 6.198 -9.232 -5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.704 -8.674 -3.550 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.771 -9.657 -2.439 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.717 -11.124 -4.823 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.008 -10.482 -3.826 1.00 0.00 H new ATOM 709 N ASP A 48 4.287 -10.921 -3.305 1.00 0.00 N ATOM 710 CA ASP A 48 3.462 -12.116 -3.173 1.00 0.00 C ATOM 711 C ASP A 48 2.497 -12.243 -4.348 1.00 0.00 C ATOM 712 O ASP A 48 2.096 -13.345 -4.719 1.00 0.00 O ATOM 713 CB ASP A 48 2.682 -12.081 -1.858 1.00 0.00 C ATOM 714 CG ASP A 48 1.829 -13.318 -1.658 1.00 0.00 C ATOM 715 OD1 ASP A 48 2.165 -14.371 -2.239 1.00 0.00 O ATOM 716 OD2 ASP A 48 0.824 -13.234 -0.921 1.00 0.00 O ATOM 0 H ASP A 48 4.215 -10.271 -2.522 1.00 0.00 H new ATOM 0 HA ASP A 48 4.121 -12.984 -3.172 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.381 -11.987 -1.027 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.045 -11.197 -1.840 1.00 0.00 H new ATOM 721 N ALA A 49 2.128 -11.106 -4.929 1.00 0.00 N ATOM 722 CA ALA A 49 1.211 -11.089 -6.062 1.00 0.00 C ATOM 723 C ALA A 49 1.858 -11.701 -7.300 1.00 0.00 C ATOM 724 O ALA A 49 1.184 -12.321 -8.122 1.00 0.00 O ATOM 725 CB ALA A 49 0.755 -9.667 -6.351 1.00 0.00 C ATOM 0 H ALA A 49 2.450 -10.184 -4.634 1.00 0.00 H new ATOM 0 HA ALA A 49 0.341 -11.692 -5.803 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.071 -9.670 -7.199 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.246 -9.263 -5.476 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.621 -9.048 -6.585 1.00 0.00 H new ATOM 731 N GLY A 50 3.169 -11.522 -7.428 1.00 0.00 N ATOM 732 CA GLY A 50 3.884 -12.062 -8.569 1.00 0.00 C ATOM 733 C GLY A 50 3.370 -11.516 -9.886 1.00 0.00 C ATOM 734 O GLY A 50 3.397 -10.309 -10.118 1.00 0.00 O ATOM 0 H GLY A 50 3.749 -11.012 -6.761 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.945 -11.830 -8.472 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.794 -13.148 -8.570 1.00 0.00 H new ATOM 738 N ASN A 51 2.901 -12.409 -10.752 1.00 0.00 N ATOM 739 CA ASN A 51 2.381 -12.010 -12.055 1.00 0.00 C ATOM 740 C ASN A 51 0.948 -11.500 -11.935 1.00 0.00 C ATOM 741 O ASN A 51 0.492 -10.698 -12.750 1.00 0.00 O ATOM 742 CB ASN A 51 2.435 -13.187 -13.031 1.00 0.00 C ATOM 743 CG ASN A 51 3.826 -13.782 -13.143 1.00 0.00 C ATOM 744 OD1 ASN A 51 4.692 -13.240 -13.830 1.00 0.00 O ATOM 745 ND2 ASN A 51 4.045 -14.903 -12.466 1.00 0.00 N ATOM 0 H ASN A 51 2.870 -13.413 -10.575 1.00 0.00 H new ATOM 0 HA ASN A 51 3.005 -11.202 -12.436 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.738 -13.959 -12.704 1.00 0.00 H new ATOM 0 HB3 ASN A 51 2.105 -12.855 -14.015 1.00 0.00 H new ATOM 0 HD21 ASN A 51 4.961 -15.350 -12.503 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.297 -15.317 -11.909 1.00 0.00 H new ATOM 752 N LYS A 52 0.242 -11.971 -10.913 1.00 0.00 N ATOM 753 CA LYS A 52 -1.139 -11.562 -10.683 1.00 0.00 C ATOM 754 C LYS A 52 -1.214 -10.087 -10.302 1.00 0.00 C ATOM 755 O LYS A 52 -2.220 -9.423 -10.546 1.00 0.00 O ATOM 756 CB LYS A 52 -1.769 -12.417 -9.582 1.00 0.00 C ATOM 757 CG LYS A 52 -1.534 -13.907 -9.759 1.00 0.00 C ATOM 758 CD LYS A 52 -2.479 -14.727 -8.897 1.00 0.00 C ATOM 759 CE LYS A 52 -1.949 -14.881 -7.479 1.00 0.00 C ATOM 760 NZ LYS A 52 -2.627 -13.955 -6.530 1.00 0.00 N ATOM 0 H LYS A 52 0.603 -12.637 -10.230 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.694 -11.708 -11.610 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.367 -12.106 -8.618 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.842 -12.228 -9.556 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.670 -14.176 -10.807 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.503 -14.147 -9.500 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.458 -14.248 -8.871 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.618 -15.712 -9.343 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.092 -15.909 -7.148 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.876 -14.689 -7.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.238 -14.091 -5.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.470 -12.972 -6.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.648 -14.155 -6.520 1.00 0.00 H new ATOM 774 N GLY A 53 -0.140 -9.580 -9.704 1.00 0.00 N ATOM 775 CA GLY A 53 -0.105 -8.186 -9.300 1.00 0.00 C ATOM 776 C GLY A 53 -1.139 -7.863 -8.241 1.00 0.00 C ATOM 777 O GLY A 53 -2.083 -8.627 -8.032 1.00 0.00 O ATOM 0 H GLY A 53 0.706 -10.109 -9.492 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.888 -7.946 -8.919 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.273 -7.554 -10.172 1.00 0.00 H new ATOM 781 N ILE A 54 -0.963 -6.730 -7.570 1.00 0.00 N ATOM 782 CA ILE A 54 -1.889 -6.308 -6.526 1.00 0.00 C ATOM 783 C ILE A 54 -2.385 -4.888 -6.773 1.00 0.00 C ATOM 784 O ILE A 54 -1.600 -3.990 -7.080 1.00 0.00 O ATOM 785 CB ILE A 54 -1.236 -6.378 -5.133 1.00 0.00 C ATOM 786 CG1 ILE A 54 -2.277 -6.107 -4.044 1.00 0.00 C ATOM 787 CG2 ILE A 54 -0.089 -5.384 -5.035 1.00 0.00 C ATOM 788 CD1 ILE A 54 -2.360 -7.200 -3.002 1.00 0.00 C ATOM 0 H ILE A 54 -0.187 -6.087 -7.731 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.734 -6.995 -6.556 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.835 -7.381 -4.986 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.039 -5.164 -3.552 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.255 -5.985 -4.510 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.362 -5.446 -4.045 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.661 -5.618 -5.791 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.467 -4.375 -5.199 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.118 -6.941 -2.262 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.629 -8.141 -3.482 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.394 -7.307 -2.509 1.00 0.00 H new ATOM 800 N TRP A 55 -3.691 -4.691 -6.634 1.00 0.00 N ATOM 801 CA TRP A 55 -4.292 -3.378 -6.839 1.00 0.00 C ATOM 802 C TRP A 55 -3.908 -2.421 -5.716 1.00 0.00 C ATOM 803 O TRP A 55 -3.801 -2.822 -4.557 1.00 0.00 O ATOM 804 CB TRP A 55 -5.814 -3.499 -6.925 1.00 0.00 C ATOM 805 CG TRP A 55 -6.276 -4.432 -8.003 1.00 0.00 C ATOM 806 CD1 TRP A 55 -6.459 -5.781 -7.895 1.00 0.00 C ATOM 807 CD2 TRP A 55 -6.611 -4.086 -9.351 1.00 0.00 C ATOM 808 NE1 TRP A 55 -6.888 -6.295 -9.095 1.00 0.00 N ATOM 809 CE2 TRP A 55 -6.990 -5.276 -10.004 1.00 0.00 C ATOM 810 CE3 TRP A 55 -6.631 -2.888 -10.069 1.00 0.00 C ATOM 811 CZ2 TRP A 55 -7.381 -5.298 -11.340 1.00 0.00 C ATOM 812 CZ3 TRP A 55 -7.019 -2.912 -11.395 1.00 0.00 C ATOM 813 CH2 TRP A 55 -7.391 -4.110 -12.019 1.00 0.00 C ATOM 0 H TRP A 55 -4.354 -5.423 -6.380 1.00 0.00 H new ATOM 0 HA TRP A 55 -3.913 -2.976 -7.778 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.199 -3.845 -5.966 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -6.240 -2.512 -7.102 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -6.291 -6.359 -6.998 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -7.097 -7.276 -9.279 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -6.348 -1.959 -9.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.666 -6.221 -11.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.036 -1.992 -11.960 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -7.692 -4.096 -13.056 1.00 0.00 H new ATOM 824 N SER A 56 -3.702 -1.156 -6.066 1.00 0.00 N ATOM 825 CA SER A 56 -3.327 -0.143 -5.086 1.00 0.00 C ATOM 826 C SER A 56 -4.305 -0.131 -3.915 1.00 0.00 C ATOM 827 O SER A 56 -3.939 0.210 -2.790 1.00 0.00 O ATOM 828 CB SER A 56 -3.281 1.239 -5.742 1.00 0.00 C ATOM 829 OG SER A 56 -3.780 2.235 -4.867 1.00 0.00 O ATOM 0 H SER A 56 -3.788 -0.808 -7.021 1.00 0.00 H new ATOM 0 HA SER A 56 -2.336 -0.390 -4.706 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.255 1.478 -6.023 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.869 1.229 -6.660 1.00 0.00 H new ATOM 0 HG SER A 56 -3.739 3.109 -5.309 1.00 0.00 H new ATOM 835 N ARG A 57 -5.551 -0.504 -4.189 1.00 0.00 N ATOM 836 CA ARG A 57 -6.583 -0.535 -3.160 1.00 0.00 C ATOM 837 C ARG A 57 -6.384 -1.726 -2.226 1.00 0.00 C ATOM 838 O ARG A 57 -6.653 -1.639 -1.028 1.00 0.00 O ATOM 839 CB ARG A 57 -7.970 -0.602 -3.801 1.00 0.00 C ATOM 840 CG ARG A 57 -8.605 0.761 -4.023 1.00 0.00 C ATOM 841 CD ARG A 57 -10.120 0.695 -3.910 1.00 0.00 C ATOM 842 NE ARG A 57 -10.596 1.196 -2.624 1.00 0.00 N ATOM 843 CZ ARG A 57 -10.690 2.487 -2.328 1.00 0.00 C ATOM 844 NH1 ARG A 57 -10.343 3.403 -3.222 1.00 0.00 N ATOM 845 NH2 ARG A 57 -11.133 2.865 -1.135 1.00 0.00 N ATOM 0 H ARG A 57 -5.870 -0.789 -5.115 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.505 0.381 -2.574 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.894 -1.118 -4.758 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.625 -1.200 -3.167 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.215 1.469 -3.291 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.329 1.136 -5.008 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.569 1.278 -4.714 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.449 -0.336 -4.041 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.871 0.517 -1.914 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.003 3.117 -4.140 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.416 4.394 -2.992 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.401 2.163 -0.445 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.205 3.857 -0.908 1.00 0.00 H new ATOM 859 N ASP A 58 -5.912 -2.835 -2.783 1.00 0.00 N ATOM 860 CA ASP A 58 -5.676 -4.043 -2.001 1.00 0.00 C ATOM 861 C ASP A 58 -4.427 -3.897 -1.139 1.00 0.00 C ATOM 862 O ASP A 58 -4.479 -4.057 0.081 1.00 0.00 O ATOM 863 CB ASP A 58 -5.535 -5.255 -2.924 1.00 0.00 C ATOM 864 CG ASP A 58 -6.718 -6.198 -2.826 1.00 0.00 C ATOM 865 OD1 ASP A 58 -6.689 -7.100 -1.963 1.00 0.00 O ATOM 866 OD2 ASP A 58 -7.674 -6.033 -3.613 1.00 0.00 O ATOM 0 H ASP A 58 -5.685 -2.923 -3.774 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.533 -4.194 -1.345 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.431 -4.914 -3.954 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.622 -5.795 -2.673 1.00 0.00 H new ATOM 871 N VAL A 59 -3.303 -3.592 -1.780 1.00 0.00 N ATOM 872 CA VAL A 59 -2.040 -3.424 -1.072 1.00 0.00 C ATOM 873 C VAL A 59 -2.159 -2.370 0.022 1.00 0.00 C ATOM 874 O VAL A 59 -1.413 -2.389 1.001 1.00 0.00 O ATOM 875 CB VAL A 59 -0.906 -3.024 -2.035 1.00 0.00 C ATOM 876 CG1 VAL A 59 -1.263 -1.746 -2.779 1.00 0.00 C ATOM 877 CG2 VAL A 59 0.403 -2.861 -1.277 1.00 0.00 C ATOM 0 H VAL A 59 -3.242 -3.456 -2.789 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.800 -4.386 -0.620 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.778 -3.820 -2.769 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.450 -1.479 -3.454 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.176 -1.902 -3.354 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.419 -0.939 -2.063 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.193 -2.578 -1.972 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.291 -2.085 -0.520 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.664 -3.803 -0.795 1.00 0.00 H new ATOM 887 N ARG A 60 -3.103 -1.450 -0.150 1.00 0.00 N ATOM 888 CA ARG A 60 -3.319 -0.386 0.823 1.00 0.00 C ATOM 889 C ARG A 60 -4.008 -0.925 2.073 1.00 0.00 C ATOM 890 O ARG A 60 -3.653 -0.563 3.195 1.00 0.00 O ATOM 891 CB ARG A 60 -4.160 0.734 0.207 1.00 0.00 C ATOM 892 CG ARG A 60 -4.383 1.912 1.141 1.00 0.00 C ATOM 893 CD ARG A 60 -5.658 2.664 0.794 1.00 0.00 C ATOM 894 NE ARG A 60 -6.554 2.780 1.941 1.00 0.00 N ATOM 895 CZ ARG A 60 -7.374 1.812 2.335 1.00 0.00 C ATOM 896 NH1 ARG A 60 -7.410 0.661 1.677 1.00 0.00 N ATOM 897 NH2 ARG A 60 -8.159 1.993 3.389 1.00 0.00 N ATOM 0 H ARG A 60 -3.730 -1.420 -0.954 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.346 0.014 1.109 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.670 1.088 -0.700 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -5.127 0.329 -0.091 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.437 1.557 2.170 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.532 2.590 1.083 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.404 3.660 0.430 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -6.173 2.150 -0.018 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.550 3.653 2.469 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -6.807 0.518 0.867 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -8.040 -0.081 1.981 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.134 2.876 3.898 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -8.788 1.249 3.690 1.00 0.00 H new ATOM 911 N TYR A 61 -4.995 -1.792 1.872 1.00 0.00 N ATOM 912 CA TYR A 61 -5.736 -2.378 2.982 1.00 0.00 C ATOM 913 C TYR A 61 -4.834 -3.275 3.825 1.00 0.00 C ATOM 914 O TYR A 61 -4.784 -3.151 5.049 1.00 0.00 O ATOM 915 CB TYR A 61 -6.928 -3.182 2.459 1.00 0.00 C ATOM 916 CG TYR A 61 -8.101 -3.215 3.413 1.00 0.00 C ATOM 917 CD1 TYR A 61 -8.639 -2.040 3.923 1.00 0.00 C ATOM 918 CD2 TYR A 61 -8.670 -4.420 3.804 1.00 0.00 C ATOM 919 CE1 TYR A 61 -9.710 -2.064 4.795 1.00 0.00 C ATOM 920 CE2 TYR A 61 -9.742 -4.454 4.675 1.00 0.00 C ATOM 921 CZ TYR A 61 -10.258 -3.274 5.167 1.00 0.00 C ATOM 922 OH TYR A 61 -11.326 -3.304 6.036 1.00 0.00 O ATOM 0 H TYR A 61 -5.300 -2.104 0.950 1.00 0.00 H new ATOM 0 HA TYR A 61 -6.102 -1.566 3.611 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -7.254 -2.757 1.510 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.606 -4.204 2.257 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -8.212 -1.091 3.633 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -8.268 -5.346 3.421 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -10.116 -1.141 5.183 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -10.173 -5.400 4.969 1.00 0.00 H new ATOM 0 HH TYR A 61 -11.593 -4.234 6.195 1.00 0.00 H new ATOM 932 N LYS A 62 -4.121 -4.179 3.161 1.00 0.00 N ATOM 933 CA LYS A 62 -3.219 -5.096 3.846 1.00 0.00 C ATOM 934 C LYS A 62 -2.084 -4.337 4.527 1.00 0.00 C ATOM 935 O LYS A 62 -1.586 -4.754 5.572 1.00 0.00 O ATOM 936 CB LYS A 62 -2.645 -6.113 2.857 1.00 0.00 C ATOM 937 CG LYS A 62 -3.696 -7.012 2.230 1.00 0.00 C ATOM 938 CD LYS A 62 -3.158 -8.412 1.984 1.00 0.00 C ATOM 939 CE LYS A 62 -3.049 -8.713 0.497 1.00 0.00 C ATOM 940 NZ LYS A 62 -3.299 -10.152 0.203 1.00 0.00 N ATOM 0 H LYS A 62 -4.151 -4.296 2.148 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.790 -5.623 4.611 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.117 -5.580 2.067 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.910 -6.732 3.371 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.567 -7.066 2.883 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.031 -6.579 1.287 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.178 -8.513 2.450 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.813 -9.143 2.457 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.765 -8.101 -0.051 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.056 -8.437 0.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.216 -10.317 -0.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.600 -10.736 0.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.256 -10.410 0.518 1.00 0.00 H new ATOM 954 N SER A 63 -1.683 -3.221 3.928 1.00 0.00 N ATOM 955 CA SER A 63 -0.605 -2.404 4.475 1.00 0.00 C ATOM 956 C SER A 63 -1.117 -1.518 5.607 1.00 0.00 C ATOM 957 O SER A 63 -0.353 -1.099 6.475 1.00 0.00 O ATOM 958 CB SER A 63 0.017 -1.541 3.377 1.00 0.00 C ATOM 959 OG SER A 63 0.784 -2.328 2.482 1.00 0.00 O ATOM 0 H SER A 63 -2.088 -2.861 3.064 1.00 0.00 H new ATOM 0 HA SER A 63 0.157 -3.072 4.876 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.769 -1.023 2.828 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.649 -0.775 3.826 1.00 0.00 H new ATOM 0 HG SER A 63 0.244 -2.548 1.695 1.00 0.00 H new ATOM 965 N ASN A 64 -2.416 -1.237 5.589 1.00 0.00 N ATOM 966 CA ASN A 64 -3.031 -0.400 6.613 1.00 0.00 C ATOM 967 C ASN A 64 -2.459 1.014 6.575 1.00 0.00 C ATOM 968 O ASN A 64 -2.387 1.694 7.599 1.00 0.00 O ATOM 969 CB ASN A 64 -2.816 -1.012 7.998 1.00 0.00 C ATOM 970 CG ASN A 64 -4.090 -1.041 8.821 1.00 0.00 C ATOM 971 OD1 ASN A 64 -4.528 -2.101 9.270 1.00 0.00 O ATOM 972 ND2 ASN A 64 -4.691 0.125 9.022 1.00 0.00 N ATOM 0 H ASN A 64 -3.063 -1.576 4.877 1.00 0.00 H new ATOM 0 HA ASN A 64 -4.100 -0.346 6.409 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.434 -2.027 7.889 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -2.055 -0.441 8.531 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.552 0.168 9.568 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.292 0.978 8.631 1.00 0.00 H new ATOM 979 N LEU A 65 -2.055 1.451 5.387 1.00 0.00 N ATOM 980 CA LEU A 65 -1.489 2.785 5.215 1.00 0.00 C ATOM 981 C LEU A 65 -2.404 3.658 4.361 1.00 0.00 C ATOM 982 O LEU A 65 -3.039 3.194 3.414 1.00 0.00 O ATOM 983 CB LEU A 65 -0.105 2.694 4.570 1.00 0.00 C ATOM 984 CG LEU A 65 0.836 1.637 5.148 1.00 0.00 C ATOM 985 CD1 LEU A 65 2.080 1.499 4.284 1.00 0.00 C ATOM 986 CD2 LEU A 65 1.216 1.985 6.580 1.00 0.00 C ATOM 0 H LEU A 65 -2.109 0.902 4.529 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.395 3.243 6.200 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.234 2.494 3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.378 3.667 4.655 1.00 0.00 H new ATOM 0 HG LEU A 65 0.314 0.680 5.154 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.738 0.742 4.711 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.792 1.202 3.276 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.604 2.454 4.245 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.886 1.221 6.974 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.718 2.952 6.598 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.317 2.031 7.194 1.00 0.00 H new ATOM 998 N PRO A 66 -2.473 4.953 4.702 1.00 0.00 N ATOM 999 CA PRO A 66 -3.305 5.919 3.977 1.00 0.00 C ATOM 1000 C PRO A 66 -2.768 6.213 2.581 1.00 0.00 C ATOM 1001 O PRO A 66 -1.578 6.041 2.312 1.00 0.00 O ATOM 1002 CB PRO A 66 -3.235 7.173 4.852 1.00 0.00 C ATOM 1003 CG PRO A 66 -1.949 7.047 5.593 1.00 0.00 C ATOM 1004 CD PRO A 66 -1.744 5.575 5.819 1.00 0.00 C ATOM 0 HA PRO A 66 -4.318 5.548 3.819 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.256 8.079 4.247 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.082 7.226 5.536 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.125 7.472 5.020 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.990 7.585 6.540 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.687 5.310 5.806 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.140 5.258 6.784 1.00 0.00 H new ATOM 1012 N LEU A 67 -3.652 6.658 1.694 1.00 0.00 N ATOM 1013 CA LEU A 67 -3.266 6.978 0.324 1.00 0.00 C ATOM 1014 C LEU A 67 -2.071 7.925 0.301 1.00 0.00 C ATOM 1015 O LEU A 67 -1.180 7.799 -0.540 1.00 0.00 O ATOM 1016 CB LEU A 67 -4.444 7.605 -0.425 1.00 0.00 C ATOM 1017 CG LEU A 67 -5.229 8.675 0.335 1.00 0.00 C ATOM 1018 CD1 LEU A 67 -5.287 9.966 -0.467 1.00 0.00 C ATOM 1019 CD2 LEU A 67 -6.632 8.180 0.655 1.00 0.00 C ATOM 0 H LEU A 67 -4.640 6.805 1.899 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.980 6.051 -0.173 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.068 8.046 -1.349 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.133 6.810 -0.708 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.714 8.878 1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.850 10.715 0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.275 10.330 -0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.778 9.779 -1.422 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.176 8.954 1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.156 7.948 -0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.570 7.283 1.271 1.00 0.00 H new ATOM 1031 N THR A 68 -2.057 8.874 1.232 1.00 0.00 N ATOM 1032 CA THR A 68 -0.971 9.843 1.319 1.00 0.00 C ATOM 1033 C THR A 68 0.379 9.145 1.441 1.00 0.00 C ATOM 1034 O THR A 68 1.401 9.672 1.003 1.00 0.00 O ATOM 1035 CB THR A 68 -1.158 10.789 2.521 1.00 0.00 C ATOM 1036 OG1 THR A 68 -0.019 11.647 2.650 1.00 0.00 O ATOM 1037 CG2 THR A 68 -1.352 9.999 3.806 1.00 0.00 C ATOM 0 H THR A 68 -2.785 8.992 1.936 1.00 0.00 H new ATOM 0 HA THR A 68 -0.993 10.427 0.399 1.00 0.00 H new ATOM 0 HB THR A 68 -2.049 11.392 2.346 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.146 12.246 3.415 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.482 10.688 4.641 1.00 0.00 H new ATOM 0 HG22 THR A 68 -2.236 9.368 3.715 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.477 9.374 3.984 1.00 0.00 H new ATOM 1045 N GLU A 69 0.375 7.958 2.039 1.00 0.00 N ATOM 1046 CA GLU A 69 1.601 7.189 2.217 1.00 0.00 C ATOM 1047 C GLU A 69 1.847 6.272 1.023 1.00 0.00 C ATOM 1048 O GLU A 69 2.886 6.356 0.367 1.00 0.00 O ATOM 1049 CB GLU A 69 1.528 6.361 3.503 1.00 0.00 C ATOM 1050 CG GLU A 69 1.536 7.201 4.769 1.00 0.00 C ATOM 1051 CD GLU A 69 2.880 7.854 5.027 1.00 0.00 C ATOM 1052 OE1 GLU A 69 3.756 7.194 5.625 1.00 0.00 O ATOM 1053 OE2 GLU A 69 3.057 9.025 4.630 1.00 0.00 O ATOM 0 H GLU A 69 -0.463 7.508 2.408 1.00 0.00 H new ATOM 0 HA GLU A 69 2.432 7.891 2.291 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.622 5.756 3.484 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.372 5.671 3.529 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.770 7.973 4.693 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.272 6.572 5.619 1.00 0.00 H new ATOM 1060 N ILE A 70 0.885 5.398 0.747 1.00 0.00 N ATOM 1061 CA ILE A 70 0.997 4.466 -0.368 1.00 0.00 C ATOM 1062 C ILE A 70 1.343 5.196 -1.662 1.00 0.00 C ATOM 1063 O ILE A 70 2.055 4.666 -2.513 1.00 0.00 O ATOM 1064 CB ILE A 70 -0.307 3.673 -0.572 1.00 0.00 C ATOM 1065 CG1 ILE A 70 -0.664 2.900 0.699 1.00 0.00 C ATOM 1066 CG2 ILE A 70 -0.171 2.725 -1.754 1.00 0.00 C ATOM 1067 CD1 ILE A 70 0.354 1.846 1.071 1.00 0.00 C ATOM 0 H ILE A 70 0.019 5.316 1.280 1.00 0.00 H new ATOM 0 HA ILE A 70 1.800 3.772 -0.120 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.112 4.376 -0.785 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.766 3.603 1.526 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.635 2.424 0.564 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.101 2.172 -1.885 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.041 3.297 -2.657 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.644 2.026 -1.568 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.036 1.338 1.982 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.439 1.121 0.262 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.322 2.318 1.238 1.00 0.00 H new ATOM 1079 N ASN A 71 0.835 6.416 -1.800 1.00 0.00 N ATOM 1080 CA ASN A 71 1.091 7.220 -2.989 1.00 0.00 C ATOM 1081 C ASN A 71 2.578 7.534 -3.124 1.00 0.00 C ATOM 1082 O ASN A 71 3.114 7.591 -4.231 1.00 0.00 O ATOM 1083 CB ASN A 71 0.287 8.521 -2.934 1.00 0.00 C ATOM 1084 CG ASN A 71 -1.164 8.321 -3.328 1.00 0.00 C ATOM 1085 OD1 ASN A 71 -1.492 7.409 -4.088 1.00 0.00 O ATOM 1086 ND2 ASN A 71 -2.040 9.176 -2.813 1.00 0.00 N ATOM 0 H ASN A 71 0.244 6.869 -1.103 1.00 0.00 H new ATOM 0 HA ASN A 71 0.779 6.644 -3.860 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.334 8.931 -1.925 1.00 0.00 H new ATOM 0 HB3 ASN A 71 0.743 9.255 -3.598 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.030 9.092 -3.043 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.723 9.916 -2.187 1.00 0.00 H new ATOM 1093 N LYS A 72 3.240 7.736 -1.990 1.00 0.00 N ATOM 1094 CA LYS A 72 4.665 8.041 -1.979 1.00 0.00 C ATOM 1095 C LYS A 72 5.496 6.764 -2.048 1.00 0.00 C ATOM 1096 O LYS A 72 6.529 6.721 -2.718 1.00 0.00 O ATOM 1097 CB LYS A 72 5.029 8.831 -0.720 1.00 0.00 C ATOM 1098 CG LYS A 72 6.517 9.098 -0.578 1.00 0.00 C ATOM 1099 CD LYS A 72 6.844 9.732 0.764 1.00 0.00 C ATOM 1100 CE LYS A 72 6.320 11.157 0.849 1.00 0.00 C ATOM 1101 NZ LYS A 72 6.586 11.768 2.181 1.00 0.00 N ATOM 0 H LYS A 72 2.811 7.694 -1.065 1.00 0.00 H new ATOM 0 HA LYS A 72 4.888 8.646 -2.858 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.497 9.782 -0.732 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.682 8.283 0.156 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.067 8.163 -0.683 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.848 9.755 -1.382 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.409 9.135 1.565 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.923 9.730 0.915 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.787 11.762 0.072 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.247 11.162 0.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.214 12.739 2.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.119 11.205 2.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.611 11.787 2.356 1.00 0.00 H new ATOM 1115 N ILE A 73 5.038 5.728 -1.355 1.00 0.00 N ATOM 1116 CA ILE A 73 5.739 4.449 -1.341 1.00 0.00 C ATOM 1117 C ILE A 73 5.750 3.813 -2.727 1.00 0.00 C ATOM 1118 O ILE A 73 6.812 3.546 -3.290 1.00 0.00 O ATOM 1119 CB ILE A 73 5.098 3.467 -0.343 1.00 0.00 C ATOM 1120 CG1 ILE A 73 5.100 4.064 1.066 1.00 0.00 C ATOM 1121 CG2 ILE A 73 5.835 2.137 -0.362 1.00 0.00 C ATOM 1122 CD1 ILE A 73 4.323 3.242 2.071 1.00 0.00 C ATOM 0 H ILE A 73 4.185 5.748 -0.796 1.00 0.00 H new ATOM 0 HA ILE A 73 6.763 4.654 -1.030 1.00 0.00 H new ATOM 0 HB ILE A 73 4.064 3.291 -0.641 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.130 4.163 1.408 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.679 5.069 1.027 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.370 1.453 0.349 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.786 1.708 -1.363 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.877 2.295 -0.085 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.367 3.724 3.047 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.284 3.164 1.752 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.758 2.245 2.139 1.00 0.00 H new ATOM 1134 N LEU A 74 4.562 3.575 -3.272 1.00 0.00 N ATOM 1135 CA LEU A 74 4.435 2.972 -4.594 1.00 0.00 C ATOM 1136 C LEU A 74 5.229 3.759 -5.631 1.00 0.00 C ATOM 1137 O LEU A 74 5.725 3.197 -6.607 1.00 0.00 O ATOM 1138 CB LEU A 74 2.963 2.906 -5.006 1.00 0.00 C ATOM 1139 CG LEU A 74 2.136 1.790 -4.365 1.00 0.00 C ATOM 1140 CD1 LEU A 74 0.674 1.912 -4.764 1.00 0.00 C ATOM 1141 CD2 LEU A 74 2.686 0.426 -4.757 1.00 0.00 C ATOM 0 H LEU A 74 3.674 3.790 -2.819 1.00 0.00 H new ATOM 0 HA LEU A 74 4.839 1.961 -4.545 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.496 3.861 -4.766 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.914 2.791 -6.089 1.00 0.00 H new ATOM 0 HG LEU A 74 2.205 1.890 -3.282 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.102 1.110 -4.298 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.285 2.875 -4.432 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.585 1.839 -5.848 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.085 -0.356 -4.292 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.648 0.316 -5.841 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.719 0.339 -4.419 1.00 0.00 H new ATOM 1153 N LYS A 75 5.349 5.064 -5.411 1.00 0.00 N ATOM 1154 CA LYS A 75 6.086 5.930 -6.324 1.00 0.00 C ATOM 1155 C LYS A 75 7.583 5.878 -6.033 1.00 0.00 C ATOM 1156 O LYS A 75 8.405 6.116 -6.916 1.00 0.00 O ATOM 1157 CB LYS A 75 5.584 7.371 -6.211 1.00 0.00 C ATOM 1158 CG LYS A 75 5.860 8.210 -7.446 1.00 0.00 C ATOM 1159 CD LYS A 75 4.770 8.040 -8.491 1.00 0.00 C ATOM 1160 CE LYS A 75 3.576 8.937 -8.202 1.00 0.00 C ATOM 1161 NZ LYS A 75 2.811 9.257 -9.439 1.00 0.00 N ATOM 0 H LYS A 75 4.945 5.545 -4.608 1.00 0.00 H new ATOM 0 HA LYS A 75 5.918 5.572 -7.340 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.510 7.359 -6.023 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.054 7.844 -5.348 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.934 9.260 -7.164 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.822 7.926 -7.873 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.171 8.273 -9.478 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.447 6.999 -8.515 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.918 8.446 -7.485 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.920 9.861 -7.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.005 9.870 -9.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.432 9.748 -10.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.461 8.377 -9.868 1.00 0.00 H new ATOM 1175 N ASN A 76 7.928 5.564 -4.788 1.00 0.00 N ATOM 1176 CA ASN A 76 9.327 5.480 -4.382 1.00 0.00 C ATOM 1177 C ASN A 76 10.022 4.305 -5.064 1.00 0.00 C ATOM 1178 O ASN A 76 10.988 4.487 -5.805 1.00 0.00 O ATOM 1179 CB ASN A 76 9.429 5.335 -2.862 1.00 0.00 C ATOM 1180 CG ASN A 76 10.400 6.327 -2.251 1.00 0.00 C ATOM 1181 OD1 ASN A 76 11.616 6.150 -2.327 1.00 0.00 O ATOM 1182 ND2 ASN A 76 9.866 7.379 -1.641 1.00 0.00 N ATOM 0 H ASN A 76 7.260 5.364 -4.044 1.00 0.00 H new ATOM 0 HA ASN A 76 9.825 6.400 -4.688 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.443 5.476 -2.419 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.747 4.322 -2.617 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.470 8.080 -1.212 1.00 0.00 H new ATOM 0 HD22 ASN A 76 8.852 7.486 -1.602 1.00 0.00 H new ATOM 1189 N LEU A 77 9.523 3.101 -4.809 1.00 0.00 N ATOM 1190 CA LEU A 77 10.095 1.895 -5.398 1.00 0.00 C ATOM 1191 C LEU A 77 10.216 2.034 -6.912 1.00 0.00 C ATOM 1192 O LEU A 77 11.110 1.454 -7.528 1.00 0.00 O ATOM 1193 CB LEU A 77 9.235 0.678 -5.053 1.00 0.00 C ATOM 1194 CG LEU A 77 9.510 0.023 -3.699 1.00 0.00 C ATOM 1195 CD1 LEU A 77 8.457 -1.029 -3.391 1.00 0.00 C ATOM 1196 CD2 LEU A 77 10.902 -0.591 -3.677 1.00 0.00 C ATOM 0 H LEU A 77 8.723 2.933 -4.198 1.00 0.00 H new ATOM 0 HA LEU A 77 11.093 1.756 -4.983 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.188 0.978 -5.083 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.374 -0.072 -5.832 1.00 0.00 H new ATOM 0 HG LEU A 77 9.461 0.792 -2.928 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.669 -1.484 -2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.473 -0.562 -3.364 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.473 -1.797 -4.164 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.081 -1.053 -2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.978 -1.347 -4.458 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.646 0.187 -3.851 1.00 0.00 H new ATOM 1208 N GLU A 78 9.313 2.808 -7.505 1.00 0.00 N ATOM 1209 CA GLU A 78 9.320 3.024 -8.947 1.00 0.00 C ATOM 1210 C GLU A 78 10.670 3.564 -9.409 1.00 0.00 C ATOM 1211 O GLU A 78 11.345 2.953 -10.237 1.00 0.00 O ATOM 1212 CB GLU A 78 8.207 3.995 -9.345 1.00 0.00 C ATOM 1213 CG GLU A 78 7.565 3.669 -10.683 1.00 0.00 C ATOM 1214 CD GLU A 78 7.535 4.859 -11.622 1.00 0.00 C ATOM 1215 OE1 GLU A 78 7.428 6.001 -11.129 1.00 0.00 O ATOM 1216 OE2 GLU A 78 7.620 4.648 -12.850 1.00 0.00 O ATOM 0 H GLU A 78 8.567 3.296 -7.009 1.00 0.00 H new ATOM 0 HA GLU A 78 9.146 2.064 -9.433 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.439 3.990 -8.572 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.614 5.005 -9.383 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.112 2.853 -11.155 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.547 3.317 -10.517 1.00 0.00 H new ATOM 1223 N SER A 79 11.058 4.715 -8.868 1.00 0.00 N ATOM 1224 CA SER A 79 12.325 5.341 -9.227 1.00 0.00 C ATOM 1225 C SER A 79 13.492 4.393 -8.967 1.00 0.00 C ATOM 1226 O SER A 79 14.482 4.392 -9.698 1.00 0.00 O ATOM 1227 CB SER A 79 12.520 6.637 -8.438 1.00 0.00 C ATOM 1228 OG SER A 79 13.723 7.286 -8.812 1.00 0.00 O ATOM 0 H SER A 79 10.512 5.233 -8.179 1.00 0.00 H new ATOM 0 HA SER A 79 12.298 5.573 -10.292 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.675 7.303 -8.612 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.538 6.417 -7.371 1.00 0.00 H new ATOM 0 HG SER A 79 13.823 8.112 -8.295 1.00 0.00 H new ATOM 1234 N LYS A 80 13.368 3.587 -7.918 1.00 0.00 N ATOM 1235 CA LYS A 80 14.410 2.632 -7.559 1.00 0.00 C ATOM 1236 C LYS A 80 14.509 1.519 -8.597 1.00 0.00 C ATOM 1237 O LYS A 80 15.465 0.743 -8.601 1.00 0.00 O ATOM 1238 CB LYS A 80 14.128 2.034 -6.179 1.00 0.00 C ATOM 1239 CG LYS A 80 13.767 3.070 -5.129 1.00 0.00 C ATOM 1240 CD LYS A 80 14.333 2.704 -3.766 1.00 0.00 C ATOM 1241 CE LYS A 80 15.851 2.796 -3.751 1.00 0.00 C ATOM 1242 NZ LYS A 80 16.326 4.014 -3.037 1.00 0.00 N ATOM 0 H LYS A 80 12.556 3.576 -7.301 1.00 0.00 H new ATOM 0 HA LYS A 80 15.361 3.163 -7.531 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.313 1.315 -6.263 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.006 1.482 -5.845 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.148 4.045 -5.432 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.683 3.159 -5.062 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.919 3.370 -3.008 1.00 0.00 H new ATOM 0 HD3 LYS A 80 14.026 1.692 -3.503 1.00 0.00 H new ATOM 0 HE2 LYS A 80 16.264 1.909 -3.270 1.00 0.00 H new ATOM 0 HE3 LYS A 80 16.224 2.807 -4.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 17.366 4.040 -3.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 15.953 4.862 -3.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 15.991 3.992 -2.053 1.00 0.00 H new ATOM 1256 N LYS A 81 13.516 1.446 -9.476 1.00 0.00 N ATOM 1257 CA LYS A 81 13.492 0.430 -10.522 1.00 0.00 C ATOM 1258 C LYS A 81 13.399 -0.968 -9.919 1.00 0.00 C ATOM 1259 O LYS A 81 13.955 -1.926 -10.457 1.00 0.00 O ATOM 1260 CB LYS A 81 14.744 0.537 -11.395 1.00 0.00 C ATOM 1261 CG LYS A 81 14.557 -0.020 -12.796 1.00 0.00 C ATOM 1262 CD LYS A 81 15.892 -0.291 -13.470 1.00 0.00 C ATOM 1263 CE LYS A 81 15.911 -1.657 -14.139 1.00 0.00 C ATOM 1264 NZ LYS A 81 17.285 -2.051 -14.557 1.00 0.00 N ATOM 0 H LYS A 81 12.716 2.079 -9.485 1.00 0.00 H new ATOM 0 HA LYS A 81 12.610 0.601 -11.140 1.00 0.00 H new ATOM 0 HB2 LYS A 81 15.039 1.584 -11.466 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.563 0.007 -10.908 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.979 -0.943 -12.748 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.982 0.686 -13.396 1.00 0.00 H new ATOM 0 HD2 LYS A 81 16.089 0.482 -14.213 1.00 0.00 H new ATOM 0 HD3 LYS A 81 16.692 -0.235 -12.731 1.00 0.00 H new ATOM 0 HE2 LYS A 81 15.512 -2.403 -13.452 1.00 0.00 H new ATOM 0 HE3 LYS A 81 15.256 -1.644 -15.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 17.255 -2.987 -15.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 17.656 -1.353 -15.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 17.904 -2.089 -13.722 1.00 0.00 H new ATOM 1278 N LEU A 82 12.691 -1.079 -8.800 1.00 0.00 N ATOM 1279 CA LEU A 82 12.523 -2.361 -8.125 1.00 0.00 C ATOM 1280 C LEU A 82 11.180 -2.992 -8.479 1.00 0.00 C ATOM 1281 O LEU A 82 11.025 -4.213 -8.432 1.00 0.00 O ATOM 1282 CB LEU A 82 12.630 -2.180 -6.609 1.00 0.00 C ATOM 1283 CG LEU A 82 14.042 -1.984 -6.055 1.00 0.00 C ATOM 1284 CD1 LEU A 82 14.001 -1.797 -4.546 1.00 0.00 C ATOM 1285 CD2 LEU A 82 14.928 -3.164 -6.424 1.00 0.00 C ATOM 0 H LEU A 82 12.224 -0.297 -8.341 1.00 0.00 H new ATOM 0 HA LEU A 82 13.317 -3.027 -8.463 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.026 -1.319 -6.322 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.190 -3.053 -6.127 1.00 0.00 H new ATOM 0 HG LEU A 82 14.466 -1.084 -6.501 1.00 0.00 H new ATOM 0 HD11 LEU A 82 15.014 -1.659 -4.169 1.00 0.00 H new ATOM 0 HD12 LEU A 82 13.401 -0.920 -4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.558 -2.678 -4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 82 15.929 -3.007 -6.022 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.508 -4.079 -6.006 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.983 -3.252 -7.509 1.00 0.00 H new ATOM 1297 N ILE A 83 10.214 -2.152 -8.835 1.00 0.00 N ATOM 1298 CA ILE A 83 8.886 -2.628 -9.201 1.00 0.00 C ATOM 1299 C ILE A 83 8.453 -2.067 -10.551 1.00 0.00 C ATOM 1300 O ILE A 83 9.105 -1.182 -11.106 1.00 0.00 O ATOM 1301 CB ILE A 83 7.838 -2.245 -8.139 1.00 0.00 C ATOM 1302 CG1 ILE A 83 7.763 -0.724 -7.991 1.00 0.00 C ATOM 1303 CG2 ILE A 83 8.173 -2.896 -6.805 1.00 0.00 C ATOM 1304 CD1 ILE A 83 6.741 -0.266 -6.974 1.00 0.00 C ATOM 0 H ILE A 83 10.326 -1.139 -8.878 1.00 0.00 H new ATOM 0 HA ILE A 83 8.947 -3.714 -9.265 1.00 0.00 H new ATOM 0 HB ILE A 83 6.863 -2.609 -8.464 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.744 -0.346 -7.704 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.523 -0.284 -8.959 1.00 0.00 H new ATOM 0 HG21 ILE A 83 7.423 -2.616 -6.065 1.00 0.00 H new ATOM 0 HG22 ILE A 83 8.181 -3.980 -6.921 1.00 0.00 H new ATOM 0 HG23 ILE A 83 9.155 -2.559 -6.472 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.742 0.823 -6.922 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.751 -0.614 -7.271 1.00 0.00 H new ATOM 0 HD13 ILE A 83 6.992 -0.677 -5.996 1.00 0.00 H new ATOM 1316 N LYS A 84 7.348 -2.586 -11.075 1.00 0.00 N ATOM 1317 CA LYS A 84 6.824 -2.136 -12.359 1.00 0.00 C ATOM 1318 C LYS A 84 5.309 -1.970 -12.301 1.00 0.00 C ATOM 1319 O LYS A 84 4.581 -2.923 -12.025 1.00 0.00 O ATOM 1320 CB LYS A 84 7.197 -3.129 -13.462 1.00 0.00 C ATOM 1321 CG LYS A 84 6.700 -4.540 -13.202 1.00 0.00 C ATOM 1322 CD LYS A 84 7.384 -5.548 -14.111 1.00 0.00 C ATOM 1323 CE LYS A 84 6.384 -6.521 -14.717 1.00 0.00 C ATOM 1324 NZ LYS A 84 5.752 -5.971 -15.948 1.00 0.00 N ATOM 0 H LYS A 84 6.797 -3.320 -10.629 1.00 0.00 H new ATOM 0 HA LYS A 84 7.269 -1.167 -12.585 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.788 -2.777 -14.409 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.281 -3.149 -13.570 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.883 -4.805 -12.161 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.622 -4.581 -13.357 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.910 -5.022 -14.908 1.00 0.00 H new ATOM 0 HD3 LYS A 84 8.133 -6.101 -13.544 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.887 -7.458 -14.955 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.611 -6.751 -13.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.077 -6.664 -16.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.250 -5.090 -15.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.487 -5.775 -16.657 1.00 0.00 H new ATOM 1338 N ALA A 85 4.841 -0.754 -12.563 1.00 0.00 N ATOM 1339 CA ALA A 85 3.412 -0.465 -12.544 1.00 0.00 C ATOM 1340 C ALA A 85 2.725 -1.010 -13.792 1.00 0.00 C ATOM 1341 O ALA A 85 3.281 -0.965 -14.889 1.00 0.00 O ATOM 1342 CB ALA A 85 3.179 1.034 -12.422 1.00 0.00 C ATOM 0 H ALA A 85 5.430 0.047 -12.791 1.00 0.00 H new ATOM 0 HA ALA A 85 2.977 -0.961 -11.676 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.108 1.236 -12.409 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.628 1.398 -11.498 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.634 1.543 -13.272 1.00 0.00 H new ATOM 1348 N VAL A 86 1.512 -1.524 -13.616 1.00 0.00 N ATOM 1349 CA VAL A 86 0.748 -2.078 -14.728 1.00 0.00 C ATOM 1350 C VAL A 86 -0.669 -1.517 -14.754 1.00 0.00 C ATOM 1351 O VAL A 86 -1.454 -1.740 -13.832 1.00 0.00 O ATOM 1352 CB VAL A 86 0.680 -3.615 -14.652 1.00 0.00 C ATOM 1353 CG1 VAL A 86 2.007 -4.230 -15.071 1.00 0.00 C ATOM 1354 CG2 VAL A 86 0.294 -4.062 -13.250 1.00 0.00 C ATOM 0 H VAL A 86 1.037 -1.568 -12.714 1.00 0.00 H new ATOM 0 HA VAL A 86 1.266 -1.790 -15.643 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.088 -3.962 -15.343 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.940 -5.316 -15.011 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.237 -3.937 -16.095 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.797 -3.878 -14.407 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.251 -5.151 -13.214 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.037 -3.705 -12.537 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.682 -3.651 -12.993 1.00 0.00 H new ATOM 1364 N LYS A 87 -0.992 -0.789 -15.817 1.00 0.00 N ATOM 1365 CA LYS A 87 -2.317 -0.197 -15.966 1.00 0.00 C ATOM 1366 C LYS A 87 -3.192 -1.045 -16.884 1.00 0.00 C ATOM 1367 O LYS A 87 -2.692 -1.718 -17.785 1.00 0.00 O ATOM 1368 CB LYS A 87 -2.203 1.224 -16.522 1.00 0.00 C ATOM 1369 CG LYS A 87 -1.535 1.292 -17.885 1.00 0.00 C ATOM 1370 CD LYS A 87 -2.292 2.209 -18.832 1.00 0.00 C ATOM 1371 CE LYS A 87 -2.245 3.655 -18.363 1.00 0.00 C ATOM 1372 NZ LYS A 87 -1.401 4.500 -19.253 1.00 0.00 N ATOM 0 H LYS A 87 -0.354 -0.594 -16.589 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.784 -0.159 -14.982 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.200 1.658 -16.593 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.638 1.836 -15.819 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.511 1.649 -17.772 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.478 0.291 -18.314 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.864 2.135 -19.832 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.329 1.882 -18.905 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.257 4.059 -18.331 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -1.853 3.695 -17.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -1.395 5.478 -18.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -0.429 4.130 -19.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -1.789 4.483 -20.218 1.00 0.00 H new ATOM 1386 N SER A 88 -4.499 -1.006 -16.649 1.00 0.00 N ATOM 1387 CA SER A 88 -5.443 -1.773 -17.453 1.00 0.00 C ATOM 1388 C SER A 88 -6.300 -0.849 -18.314 1.00 0.00 C ATOM 1389 O SER A 88 -6.977 0.043 -17.803 1.00 0.00 O ATOM 1390 CB SER A 88 -6.340 -2.625 -16.551 1.00 0.00 C ATOM 1391 OG SER A 88 -6.715 -3.829 -17.197 1.00 0.00 O ATOM 0 H SER A 88 -4.929 -0.452 -15.908 1.00 0.00 H new ATOM 0 HA SER A 88 -4.873 -2.429 -18.111 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.816 -2.854 -15.623 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.232 -2.060 -16.282 1.00 0.00 H new ATOM 0 HG SER A 88 -7.286 -4.356 -16.600 1.00 0.00 H new ATOM 1397 N VAL A 89 -6.264 -1.070 -19.624 1.00 0.00 N ATOM 1398 CA VAL A 89 -7.036 -0.259 -20.557 1.00 0.00 C ATOM 1399 C VAL A 89 -8.468 -0.769 -20.673 1.00 0.00 C ATOM 1400 O VAL A 89 -8.700 -1.922 -21.036 1.00 0.00 O ATOM 1401 CB VAL A 89 -6.392 -0.246 -21.956 1.00 0.00 C ATOM 1402 CG1 VAL A 89 -7.205 0.615 -22.911 1.00 0.00 C ATOM 1403 CG2 VAL A 89 -4.954 0.243 -21.876 1.00 0.00 C ATOM 0 H VAL A 89 -5.708 -1.804 -20.063 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.046 0.756 -20.161 1.00 0.00 H new ATOM 0 HB VAL A 89 -6.384 -1.265 -22.342 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.734 0.612 -23.894 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.216 0.215 -22.991 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.248 1.636 -22.533 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.515 0.246 -22.873 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.936 1.254 -21.469 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.380 -0.420 -21.228 1.00 0.00 H new ATOM 1413 N SER A 90 -9.427 0.099 -20.364 1.00 0.00 N ATOM 1414 CA SER A 90 -10.837 -0.265 -20.430 1.00 0.00 C ATOM 1415 C SER A 90 -11.555 0.538 -21.511 1.00 0.00 C ATOM 1416 O SER A 90 -12.316 -0.011 -22.306 1.00 0.00 O ATOM 1417 CB SER A 90 -11.510 -0.033 -19.076 1.00 0.00 C ATOM 1418 OG SER A 90 -11.485 1.339 -18.722 1.00 0.00 O ATOM 0 H SER A 90 -9.253 1.059 -20.066 1.00 0.00 H new ATOM 0 HA SER A 90 -10.902 -1.323 -20.683 1.00 0.00 H new ATOM 0 HB2 SER A 90 -12.542 -0.383 -19.114 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.003 -0.619 -18.309 1.00 0.00 H new ATOM 0 HG SER A 90 -11.923 1.461 -17.854 1.00 0.00 H new ATOM 1424 N GLY A 91 -11.306 1.844 -21.533 1.00 0.00 N ATOM 1425 CA GLY A 91 -11.935 2.703 -22.519 1.00 0.00 C ATOM 1426 C GLY A 91 -13.187 3.373 -21.990 1.00 0.00 C ATOM 1427 O GLY A 91 -13.416 3.443 -20.782 1.00 0.00 O ATOM 0 H GLY A 91 -10.680 2.322 -20.885 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -11.225 3.466 -22.837 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -12.187 2.114 -23.401 1.00 0.00 H new ATOM 1431 N PRO A 92 -14.022 3.884 -22.907 1.00 0.00 N ATOM 1432 CA PRO A 92 -15.272 4.562 -22.549 1.00 0.00 C ATOM 1433 C PRO A 92 -16.315 3.600 -21.991 1.00 0.00 C ATOM 1434 O PRO A 92 -16.991 3.904 -21.009 1.00 0.00 O ATOM 1435 CB PRO A 92 -15.747 5.154 -23.878 1.00 0.00 C ATOM 1436 CG PRO A 92 -15.136 4.284 -24.921 1.00 0.00 C ATOM 1437 CD PRO A 92 -13.812 3.837 -24.363 1.00 0.00 C ATOM 0 HA PRO A 92 -15.123 5.304 -21.765 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -16.835 5.150 -23.947 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -15.425 6.189 -23.988 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -15.776 3.429 -25.140 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -15.002 4.830 -25.855 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -13.553 2.833 -24.699 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -13.002 4.497 -24.674 1.00 0.00 H new ATOM 1445 N SER A 93 -16.439 2.438 -22.623 1.00 0.00 N ATOM 1446 CA SER A 93 -17.403 1.432 -22.192 1.00 0.00 C ATOM 1447 C SER A 93 -17.171 1.049 -20.733 1.00 0.00 C ATOM 1448 O SER A 93 -16.112 0.534 -20.376 1.00 0.00 O ATOM 1449 CB SER A 93 -17.307 0.189 -23.079 1.00 0.00 C ATOM 1450 OG SER A 93 -16.085 0.168 -23.796 1.00 0.00 O ATOM 0 H SER A 93 -15.884 2.169 -23.436 1.00 0.00 H new ATOM 0 HA SER A 93 -18.402 1.858 -22.284 1.00 0.00 H new ATOM 0 HB2 SER A 93 -17.387 -0.708 -22.464 1.00 0.00 H new ATOM 0 HB3 SER A 93 -18.143 0.172 -23.778 1.00 0.00 H new ATOM 0 HG SER A 93 -16.047 -0.637 -24.354 1.00 0.00 H new ATOM 1456 N SER A 94 -18.171 1.303 -19.895 1.00 0.00 N ATOM 1457 CA SER A 94 -18.076 0.989 -18.474 1.00 0.00 C ATOM 1458 C SER A 94 -19.067 -0.107 -18.093 1.00 0.00 C ATOM 1459 O SER A 94 -18.724 -1.049 -17.380 1.00 0.00 O ATOM 1460 CB SER A 94 -18.336 2.242 -17.635 1.00 0.00 C ATOM 1461 OG SER A 94 -19.500 2.919 -18.076 1.00 0.00 O ATOM 0 H SER A 94 -19.056 1.725 -20.175 1.00 0.00 H new ATOM 0 HA SER A 94 -17.067 0.629 -18.273 1.00 0.00 H new ATOM 0 HB2 SER A 94 -18.448 1.965 -16.587 1.00 0.00 H new ATOM 0 HB3 SER A 94 -17.477 2.910 -17.698 1.00 0.00 H new ATOM 0 HG SER A 94 -19.645 3.715 -17.523 1.00 0.00 H new ATOM 1467 N GLY A 95 -20.299 0.025 -18.574 1.00 0.00 N ATOM 1468 CA GLY A 95 -21.322 -0.961 -18.274 1.00 0.00 C ATOM 1469 C GLY A 95 -22.698 -0.530 -18.742 1.00 0.00 C ATOM 1470 O GLY A 95 -22.826 0.195 -19.728 1.00 0.00 O ATOM 0 H GLY A 95 -20.607 0.796 -19.166 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -21.060 -1.907 -18.748 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -21.347 -1.139 -17.199 1.00 0.00 H new TER 1474 GLY A 95