USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 807 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 38 TYR OH : rot 28:sc= 0.473 USER MOD Set 1.2: A 64 ASN : amide:sc= 0.954 K(o=1.4,f=-0.0076) USER MOD Set 2.1: A 50 ASN :FLIP amide:sc= -0.384 F(o=-5.9,f=-4.6) USER MOD Set 2.2: A 53 ASN :FLIP amide:sc= -4.23! C(o=-6.5!,f=-4.6!) USER MOD Set 3.1: A 30 THR OG1 : rot 180:sc= -0.0101 USER MOD Set 3.2: A 31 SER OG : rot 180:sc= -0.0466 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.09 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0725 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= -0.156 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 HIS :FLIP no HD1:sc= -0.0323 F(o=-0.62,f=-0.032) USER MOD Single : A 27 LYS NZ :NH3+ 132:sc= -1.19 (180deg=-2.32!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 83:sc= 0.102 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -145:sc= -0.0842 (180deg=-1.38!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -4.08! C(o=-4.1!,f=-10!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -1.81 K(o=-1.8,f=-4.3!) USER MOD Single : A 67 HIS :FLIP no HD1:sc= -2.33 F(o=-3.9,f=-2.3) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.43 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.00386 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.968 K(o=-0.97,f=-3.5!) USER MOD Single : A 97 ASN : amide:sc= -0.244 X(o=-0.24,f=0) USER MOD Single : A 99 ASN : amide:sc= -1.18 K(o=-1.2,f=-1.9!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.525 -13.077 3.283 1.00 0.00 N ATOM 2 CA GLY A 1 15.975 -14.049 2.356 1.00 0.00 C ATOM 3 C GLY A 1 15.739 -15.399 3.005 1.00 0.00 C ATOM 4 O GLY A 1 16.599 -16.278 2.957 1.00 0.00 O ATOM 0 H1 GLY A 1 16.668 -12.171 2.792 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.865 -12.941 4.075 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.436 -13.421 3.647 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.034 -13.672 1.955 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.656 -14.168 1.513 1.00 0.00 H new ATOM 8 N SER A 2 14.569 -15.564 3.614 1.00 0.00 N ATOM 9 CA SER A 2 14.223 -16.814 4.280 1.00 0.00 C ATOM 10 C SER A 2 14.368 -17.996 3.326 1.00 0.00 C ATOM 11 O SER A 2 14.329 -17.831 2.106 1.00 0.00 O ATOM 12 CB SER A 2 12.793 -16.751 4.819 1.00 0.00 C ATOM 13 OG SER A 2 11.847 -16.889 3.772 1.00 0.00 O ATOM 0 H SER A 2 13.845 -14.847 3.660 1.00 0.00 H new ATOM 0 HA SER A 2 14.911 -16.955 5.113 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.643 -17.541 5.555 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.636 -15.803 5.333 1.00 0.00 H new ATOM 0 HG SER A 2 10.941 -16.847 4.142 1.00 0.00 H new ATOM 19 N SER A 3 14.535 -19.188 3.890 1.00 0.00 N ATOM 20 CA SER A 3 14.689 -20.397 3.091 1.00 0.00 C ATOM 21 C SER A 3 13.579 -20.506 2.050 1.00 0.00 C ATOM 22 O SER A 3 13.834 -20.792 0.881 1.00 0.00 O ATOM 23 CB SER A 3 14.682 -21.634 3.992 1.00 0.00 C ATOM 24 OG SER A 3 13.425 -21.796 4.626 1.00 0.00 O ATOM 0 H SER A 3 14.567 -19.342 4.898 1.00 0.00 H new ATOM 0 HA SER A 3 15.646 -20.340 2.572 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.911 -22.520 3.400 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.464 -21.543 4.746 1.00 0.00 H new ATOM 0 HG SER A 3 13.446 -22.594 5.195 1.00 0.00 H new ATOM 30 N GLY A 4 12.344 -20.276 2.485 1.00 0.00 N ATOM 31 CA GLY A 4 11.212 -20.353 1.580 1.00 0.00 C ATOM 32 C GLY A 4 9.984 -19.654 2.127 1.00 0.00 C ATOM 33 O GLY A 4 9.475 -20.017 3.188 1.00 0.00 O ATOM 0 H GLY A 4 12.107 -20.038 3.448 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.484 -19.907 0.624 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.975 -21.399 1.388 1.00 0.00 H new ATOM 37 N SER A 5 9.506 -18.647 1.403 1.00 0.00 N ATOM 38 CA SER A 5 8.332 -17.891 1.825 1.00 0.00 C ATOM 39 C SER A 5 7.049 -18.582 1.372 1.00 0.00 C ATOM 40 O SER A 5 6.127 -18.783 2.162 1.00 0.00 O ATOM 41 CB SER A 5 8.385 -16.469 1.261 1.00 0.00 C ATOM 42 OG SER A 5 8.416 -16.483 -0.155 1.00 0.00 O ATOM 0 H SER A 5 9.913 -18.336 0.521 1.00 0.00 H new ATOM 0 HA SER A 5 8.333 -17.843 2.914 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.517 -15.906 1.603 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.268 -15.956 1.642 1.00 0.00 H new ATOM 0 HG SER A 5 8.448 -15.563 -0.491 1.00 0.00 H new ATOM 48 N SER A 6 6.999 -18.944 0.094 1.00 0.00 N ATOM 49 CA SER A 6 5.829 -19.609 -0.467 1.00 0.00 C ATOM 50 C SER A 6 5.486 -20.866 0.327 1.00 0.00 C ATOM 51 O SER A 6 6.370 -21.545 0.847 1.00 0.00 O ATOM 52 CB SER A 6 6.074 -19.969 -1.933 1.00 0.00 C ATOM 53 OG SER A 6 7.120 -20.917 -2.057 1.00 0.00 O ATOM 0 H SER A 6 7.755 -18.788 -0.572 1.00 0.00 H new ATOM 0 HA SER A 6 4.986 -18.920 -0.406 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.160 -20.372 -2.369 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.326 -19.069 -2.495 1.00 0.00 H new ATOM 0 HG SER A 6 7.256 -21.132 -3.003 1.00 0.00 H new ATOM 59 N GLY A 7 4.194 -21.169 0.416 1.00 0.00 N ATOM 60 CA GLY A 7 3.757 -22.343 1.148 1.00 0.00 C ATOM 61 C GLY A 7 3.241 -23.437 0.234 1.00 0.00 C ATOM 62 O GLY A 7 2.088 -23.854 0.342 1.00 0.00 O ATOM 0 H GLY A 7 3.443 -20.622 -0.006 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.588 -22.729 1.739 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.972 -22.059 1.849 1.00 0.00 H new ATOM 66 N ARG A 8 4.096 -23.902 -0.671 1.00 0.00 N ATOM 67 CA ARG A 8 3.720 -24.952 -1.610 1.00 0.00 C ATOM 68 C ARG A 8 2.464 -24.564 -2.384 1.00 0.00 C ATOM 69 O ARG A 8 1.554 -25.375 -2.555 1.00 0.00 O ATOM 70 CB ARG A 8 3.487 -26.270 -0.868 1.00 0.00 C ATOM 71 CG ARG A 8 4.737 -27.126 -0.741 1.00 0.00 C ATOM 72 CD ARG A 8 5.176 -27.673 -2.090 1.00 0.00 C ATOM 73 NE ARG A 8 4.562 -28.966 -2.383 1.00 0.00 N ATOM 74 CZ ARG A 8 4.892 -30.093 -1.762 1.00 0.00 C ATOM 75 NH1 ARG A 8 5.825 -30.087 -0.820 1.00 0.00 N ATOM 76 NH2 ARG A 8 4.288 -31.230 -2.084 1.00 0.00 N ATOM 0 H ARG A 8 5.054 -23.568 -0.774 1.00 0.00 H new ATOM 0 HA ARG A 8 4.538 -25.081 -2.319 1.00 0.00 H new ATOM 0 HB2 ARG A 8 3.102 -26.053 0.129 1.00 0.00 H new ATOM 0 HB3 ARG A 8 2.718 -26.840 -1.389 1.00 0.00 H new ATOM 0 HG2 ARG A 8 5.543 -26.533 -0.308 1.00 0.00 H new ATOM 0 HG3 ARG A 8 4.546 -27.953 -0.057 1.00 0.00 H new ATOM 0 HD2 ARG A 8 4.913 -26.961 -2.873 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.261 -27.776 -2.104 1.00 0.00 H new ATOM 0 HE ARG A 8 3.841 -29.005 -3.103 1.00 0.00 H new ATOM 0 HH11 ARG A 8 6.292 -29.215 -0.570 1.00 0.00 H new ATOM 0 HH12 ARG A 8 6.076 -30.954 -0.345 1.00 0.00 H new ATOM 0 HH21 ARG A 8 3.570 -31.239 -2.809 1.00 0.00 H new ATOM 0 HH22 ARG A 8 4.542 -32.095 -1.607 1.00 0.00 H new ATOM 90 N GLN A 9 2.422 -23.320 -2.849 1.00 0.00 N ATOM 91 CA GLN A 9 1.277 -22.824 -3.604 1.00 0.00 C ATOM 92 C GLN A 9 1.174 -23.521 -4.956 1.00 0.00 C ATOM 93 O GLN A 9 2.176 -23.974 -5.510 1.00 0.00 O ATOM 94 CB GLN A 9 1.387 -21.312 -3.803 1.00 0.00 C ATOM 95 CG GLN A 9 1.379 -20.525 -2.503 1.00 0.00 C ATOM 96 CD GLN A 9 1.936 -19.124 -2.665 1.00 0.00 C ATOM 97 OE1 GLN A 9 3.078 -18.851 -2.296 1.00 0.00 O ATOM 98 NE2 GLN A 9 1.129 -18.227 -3.220 1.00 0.00 N ATOM 0 H GLN A 9 3.168 -22.637 -2.716 1.00 0.00 H new ATOM 0 HA GLN A 9 0.375 -23.043 -3.033 1.00 0.00 H new ATOM 0 HB2 GLN A 9 2.306 -21.091 -4.346 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.559 -20.975 -4.427 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.358 -20.465 -2.126 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.964 -21.060 -1.755 1.00 0.00 H new ATOM 0 HE21 GLN A 9 0.190 -18.497 -3.511 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.449 -17.268 -3.355 1.00 0.00 H new ATOM 107 N ARG A 10 -0.043 -23.603 -5.483 1.00 0.00 N ATOM 108 CA ARG A 10 -0.277 -24.247 -6.771 1.00 0.00 C ATOM 109 C ARG A 10 -0.234 -23.226 -7.904 1.00 0.00 C ATOM 110 O ARG A 10 0.630 -23.291 -8.779 1.00 0.00 O ATOM 111 CB ARG A 10 -1.627 -24.965 -6.768 1.00 0.00 C ATOM 112 CG ARG A 10 -2.059 -25.455 -8.140 1.00 0.00 C ATOM 113 CD ARG A 10 -1.619 -26.891 -8.383 1.00 0.00 C ATOM 114 NE ARG A 10 -0.237 -26.969 -8.848 1.00 0.00 N ATOM 115 CZ ARG A 10 0.802 -27.138 -8.038 1.00 0.00 C ATOM 116 NH1 ARG A 10 0.616 -27.246 -6.730 1.00 0.00 N ATOM 117 NH2 ARG A 10 2.030 -27.199 -8.536 1.00 0.00 N ATOM 0 H ARG A 10 -0.883 -23.232 -5.038 1.00 0.00 H new ATOM 0 HA ARG A 10 0.515 -24.978 -6.933 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.575 -25.815 -6.088 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.388 -24.289 -6.377 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.143 -25.386 -8.227 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.635 -24.808 -8.909 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.724 -27.463 -7.461 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.276 -27.352 -9.121 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.060 -26.889 -9.849 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.327 -27.199 -6.343 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.416 -27.376 -6.110 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.177 -27.116 -9.542 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.827 -27.329 -7.913 1.00 0.00 H new ATOM 131 N SER A 11 -1.172 -22.285 -7.882 1.00 0.00 N ATOM 132 CA SER A 11 -1.244 -21.253 -8.910 1.00 0.00 C ATOM 133 C SER A 11 -2.234 -20.162 -8.515 1.00 0.00 C ATOM 134 O SER A 11 -3.130 -20.385 -7.700 1.00 0.00 O ATOM 135 CB SER A 11 -1.652 -21.867 -10.251 1.00 0.00 C ATOM 136 OG SER A 11 -1.424 -20.961 -11.316 1.00 0.00 O ATOM 0 H SER A 11 -1.893 -22.216 -7.164 1.00 0.00 H new ATOM 0 HA SER A 11 -0.256 -20.804 -9.010 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.087 -22.784 -10.422 1.00 0.00 H new ATOM 0 HB3 SER A 11 -2.706 -22.142 -10.223 1.00 0.00 H new ATOM 0 HG SER A 11 -1.691 -21.377 -12.162 1.00 0.00 H new ATOM 142 N LEU A 12 -2.067 -18.980 -9.100 1.00 0.00 N ATOM 143 CA LEU A 12 -2.945 -17.852 -8.811 1.00 0.00 C ATOM 144 C LEU A 12 -3.451 -17.212 -10.099 1.00 0.00 C ATOM 145 O LEU A 12 -2.779 -17.252 -11.130 1.00 0.00 O ATOM 146 CB LEU A 12 -2.210 -16.811 -7.965 1.00 0.00 C ATOM 147 CG LEU A 12 -0.836 -16.378 -8.479 1.00 0.00 C ATOM 148 CD1 LEU A 12 -0.980 -15.307 -9.548 1.00 0.00 C ATOM 149 CD2 LEU A 12 0.029 -15.877 -7.331 1.00 0.00 C ATOM 0 H LEU A 12 -1.331 -18.779 -9.777 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.803 -18.225 -8.251 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.841 -15.926 -7.885 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.090 -17.210 -6.958 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.346 -17.244 -8.925 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.008 -15.011 -9.902 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.561 -15.701 -10.382 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.490 -14.440 -9.128 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.003 -15.573 -7.715 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.456 -15.024 -6.855 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.160 -16.674 -6.599 1.00 0.00 H new ATOM 161 N SER A 13 -4.640 -16.620 -10.033 1.00 0.00 N ATOM 162 CA SER A 13 -5.237 -15.972 -11.195 1.00 0.00 C ATOM 163 C SER A 13 -5.213 -14.454 -11.043 1.00 0.00 C ATOM 164 O SER A 13 -4.705 -13.739 -11.907 1.00 0.00 O ATOM 165 CB SER A 13 -6.676 -16.453 -11.391 1.00 0.00 C ATOM 166 OG SER A 13 -7.465 -16.182 -10.245 1.00 0.00 O ATOM 0 H SER A 13 -5.208 -16.576 -9.187 1.00 0.00 H new ATOM 0 HA SER A 13 -4.649 -16.242 -12.072 1.00 0.00 H new ATOM 0 HB2 SER A 13 -7.112 -15.962 -12.261 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.680 -17.524 -11.594 1.00 0.00 H new ATOM 0 HG SER A 13 -8.380 -16.497 -10.396 1.00 0.00 H new ATOM 172 N THR A 14 -5.766 -13.968 -9.936 1.00 0.00 N ATOM 173 CA THR A 14 -5.810 -12.536 -9.669 1.00 0.00 C ATOM 174 C THR A 14 -4.911 -12.168 -8.494 1.00 0.00 C ATOM 175 O THR A 14 -4.241 -11.135 -8.513 1.00 0.00 O ATOM 176 CB THR A 14 -7.246 -12.064 -9.370 1.00 0.00 C ATOM 177 OG1 THR A 14 -7.258 -10.652 -9.135 1.00 0.00 O ATOM 178 CG2 THR A 14 -7.812 -12.790 -8.159 1.00 0.00 C ATOM 0 H THR A 14 -6.190 -14.546 -9.210 1.00 0.00 H new ATOM 0 HA THR A 14 -5.451 -12.036 -10.568 1.00 0.00 H new ATOM 0 HB THR A 14 -7.869 -12.293 -10.235 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.174 -10.359 -8.947 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.826 -12.441 -7.967 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.828 -13.863 -8.352 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.188 -12.588 -7.289 1.00 0.00 H new ATOM 186 N SER A 15 -4.901 -13.019 -7.474 1.00 0.00 N ATOM 187 CA SER A 15 -4.085 -12.781 -6.288 1.00 0.00 C ATOM 188 C SER A 15 -2.682 -12.327 -6.677 1.00 0.00 C ATOM 189 O SER A 15 -1.919 -13.079 -7.282 1.00 0.00 O ATOM 190 CB SER A 15 -4.006 -14.048 -5.435 1.00 0.00 C ATOM 191 OG SER A 15 -5.271 -14.372 -4.884 1.00 0.00 O ATOM 0 H SER A 15 -5.448 -13.879 -7.444 1.00 0.00 H new ATOM 0 HA SER A 15 -4.556 -11.989 -5.706 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.648 -14.878 -6.044 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.282 -13.905 -4.633 1.00 0.00 H new ATOM 0 HG SER A 15 -5.194 -15.187 -4.345 1.00 0.00 H new ATOM 197 N GLY A 16 -2.347 -11.090 -6.323 1.00 0.00 N ATOM 198 CA GLY A 16 -1.036 -10.555 -6.642 1.00 0.00 C ATOM 199 C GLY A 16 -0.371 -9.901 -5.449 1.00 0.00 C ATOM 200 O GLY A 16 -0.727 -10.176 -4.303 1.00 0.00 O ATOM 0 H GLY A 16 -2.961 -10.448 -5.821 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.400 -11.358 -7.013 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.131 -9.826 -7.446 1.00 0.00 H new ATOM 204 N GLU A 17 0.601 -9.033 -5.716 1.00 0.00 N ATOM 205 CA GLU A 17 1.319 -8.340 -4.654 1.00 0.00 C ATOM 206 C GLU A 17 1.199 -6.827 -4.813 1.00 0.00 C ATOM 207 O GLU A 17 2.181 -6.098 -4.676 1.00 0.00 O ATOM 208 CB GLU A 17 2.794 -8.749 -4.654 1.00 0.00 C ATOM 209 CG GLU A 17 3.553 -8.286 -5.886 1.00 0.00 C ATOM 210 CD GLU A 17 3.469 -9.277 -7.030 1.00 0.00 C ATOM 211 OE1 GLU A 17 3.795 -10.463 -6.812 1.00 0.00 O ATOM 212 OE2 GLU A 17 3.077 -8.868 -8.143 1.00 0.00 O ATOM 0 H GLU A 17 0.908 -8.794 -6.659 1.00 0.00 H new ATOM 0 HA GLU A 17 0.871 -8.624 -3.702 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.276 -8.340 -3.766 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.862 -9.835 -4.582 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.156 -7.325 -6.213 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.599 -8.126 -5.625 1.00 0.00 H new ATOM 219 N SER A 18 -0.012 -6.363 -5.104 1.00 0.00 N ATOM 220 CA SER A 18 -0.260 -4.937 -5.286 1.00 0.00 C ATOM 221 C SER A 18 0.334 -4.131 -4.136 1.00 0.00 C ATOM 222 O SER A 18 1.319 -3.412 -4.311 1.00 0.00 O ATOM 223 CB SER A 18 -1.763 -4.669 -5.389 1.00 0.00 C ATOM 224 OG SER A 18 -2.205 -4.752 -6.733 1.00 0.00 O ATOM 0 H SER A 18 -0.836 -6.953 -5.219 1.00 0.00 H new ATOM 0 HA SER A 18 0.222 -4.625 -6.212 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.307 -5.390 -4.779 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.987 -3.680 -4.989 1.00 0.00 H new ATOM 0 HG SER A 18 -3.169 -4.579 -6.772 1.00 0.00 H new ATOM 230 N LEU A 19 -0.271 -4.255 -2.960 1.00 0.00 N ATOM 231 CA LEU A 19 0.198 -3.537 -1.779 1.00 0.00 C ATOM 232 C LEU A 19 1.721 -3.483 -1.744 1.00 0.00 C ATOM 233 O LEU A 19 2.308 -2.469 -1.363 1.00 0.00 O ATOM 234 CB LEU A 19 -0.329 -4.207 -0.509 1.00 0.00 C ATOM 235 CG LEU A 19 -1.838 -4.116 -0.278 1.00 0.00 C ATOM 236 CD1 LEU A 19 -2.247 -4.958 0.920 1.00 0.00 C ATOM 237 CD2 LEU A 19 -2.261 -2.667 -0.084 1.00 0.00 C ATOM 0 H LEU A 19 -1.087 -4.845 -2.798 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.182 -2.517 -1.829 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.049 -5.260 -0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.177 -3.763 0.348 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.345 -4.507 -1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.324 -4.881 1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.979 -5.999 0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.731 -4.599 1.810 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.338 -2.621 0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.745 -2.250 0.781 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.004 -2.091 -0.973 1.00 0.00 H new ATOM 249 N TYR A 20 2.357 -4.578 -2.146 1.00 0.00 N ATOM 250 CA TYR A 20 3.813 -4.655 -2.160 1.00 0.00 C ATOM 251 C TYR A 20 4.394 -3.779 -3.267 1.00 0.00 C ATOM 252 O TYR A 20 5.327 -3.009 -3.039 1.00 0.00 O ATOM 253 CB TYR A 20 4.266 -6.103 -2.350 1.00 0.00 C ATOM 254 CG TYR A 20 3.829 -7.026 -1.235 1.00 0.00 C ATOM 255 CD1 TYR A 20 2.530 -7.518 -1.183 1.00 0.00 C ATOM 256 CD2 TYR A 20 4.713 -7.404 -0.233 1.00 0.00 C ATOM 257 CE1 TYR A 20 2.125 -8.360 -0.165 1.00 0.00 C ATOM 258 CE2 TYR A 20 4.318 -8.248 0.788 1.00 0.00 C ATOM 259 CZ TYR A 20 3.023 -8.722 0.817 1.00 0.00 C ATOM 260 OH TYR A 20 2.625 -9.561 1.833 1.00 0.00 O ATOM 0 H TYR A 20 1.887 -5.425 -2.467 1.00 0.00 H new ATOM 0 HA TYR A 20 4.180 -4.289 -1.201 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.872 -6.477 -3.295 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.353 -6.128 -2.426 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.825 -7.237 -1.952 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.727 -7.032 -0.252 1.00 0.00 H new ATOM 0 HE1 TYR A 20 1.112 -8.732 -0.139 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.019 -8.534 1.558 1.00 0.00 H new ATOM 0 HH TYR A 20 3.377 -9.718 2.441 1.00 0.00 H new ATOM 270 N HIS A 21 3.834 -3.903 -4.466 1.00 0.00 N ATOM 271 CA HIS A 21 4.294 -3.123 -5.609 1.00 0.00 C ATOM 272 C HIS A 21 4.156 -1.628 -5.338 1.00 0.00 C ATOM 273 O HIS A 21 5.066 -0.849 -5.617 1.00 0.00 O ATOM 274 CB HIS A 21 3.505 -3.501 -6.863 1.00 0.00 C ATOM 275 CG HIS A 21 4.106 -4.639 -7.629 1.00 0.00 C ATOM 276 ND1 HIS A 21 4.934 -5.633 -7.232 1.00 0.00 N flip ATOM 277 CD2 HIS A 21 3.877 -4.846 -8.972 1.00 0.00 C flip ATOM 278 CE1 HIS A 21 5.186 -6.416 -8.332 1.00 0.00 C flip ATOM 279 NE2 HIS A 21 4.536 -5.920 -9.369 1.00 0.00 N flip ATOM 0 H HIS A 21 3.061 -4.536 -4.671 1.00 0.00 H new ATOM 0 HA HIS A 21 5.348 -3.349 -5.771 1.00 0.00 H new ATOM 0 HB2 HIS A 21 2.487 -3.765 -6.576 1.00 0.00 H new ATOM 0 HB3 HIS A 21 3.437 -2.631 -7.515 1.00 0.00 H new ATOM 0 HD2 HIS A 21 3.256 -4.227 -9.602 1.00 0.00 H new ATOM 0 HE1 HIS A 21 5.814 -7.295 -8.346 1.00 0.00 H new ATOM 0 HE2 HIS A 21 4.542 -6.301 -10.315 1.00 0.00 H new ATOM 287 N VAL A 22 3.009 -1.234 -4.791 1.00 0.00 N ATOM 288 CA VAL A 22 2.751 0.167 -4.482 1.00 0.00 C ATOM 289 C VAL A 22 3.961 0.815 -3.818 1.00 0.00 C ATOM 290 O VAL A 22 4.272 1.980 -4.069 1.00 0.00 O ATOM 291 CB VAL A 22 1.528 0.322 -3.559 1.00 0.00 C ATOM 292 CG1 VAL A 22 1.286 1.788 -3.235 1.00 0.00 C ATOM 293 CG2 VAL A 22 0.297 -0.302 -4.198 1.00 0.00 C ATOM 0 H VAL A 22 2.244 -1.866 -4.553 1.00 0.00 H new ATOM 0 HA VAL A 22 2.548 0.668 -5.429 1.00 0.00 H new ATOM 0 HB VAL A 22 1.730 -0.203 -2.625 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.418 1.878 -2.582 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.162 2.199 -2.733 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.104 2.339 -4.158 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.558 -0.184 -3.532 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.089 0.192 -5.147 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.476 -1.363 -4.373 1.00 0.00 H new ATOM 303 N LEU A 23 4.641 0.053 -2.968 1.00 0.00 N ATOM 304 CA LEU A 23 5.819 0.552 -2.267 1.00 0.00 C ATOM 305 C LEU A 23 7.073 0.380 -3.118 1.00 0.00 C ATOM 306 O LEU A 23 7.876 1.303 -3.251 1.00 0.00 O ATOM 307 CB LEU A 23 5.990 -0.178 -0.933 1.00 0.00 C ATOM 308 CG LEU A 23 4.800 -0.113 0.025 1.00 0.00 C ATOM 309 CD1 LEU A 23 4.844 -1.270 1.010 1.00 0.00 C ATOM 310 CD2 LEU A 23 4.782 1.218 0.764 1.00 0.00 C ATOM 0 H LEU A 23 4.397 -0.913 -2.748 1.00 0.00 H new ATOM 0 HA LEU A 23 5.675 1.616 -2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.207 -1.226 -1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.862 0.234 -0.426 1.00 0.00 H new ATOM 0 HG LEU A 23 3.883 -0.194 -0.559 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.989 -1.207 1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.808 -2.213 0.465 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.766 -1.220 1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.928 1.247 1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.703 1.329 1.336 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.702 2.033 0.044 1.00 0.00 H new ATOM 322 N GLY A 24 7.233 -0.807 -3.694 1.00 0.00 N ATOM 323 CA GLY A 24 8.390 -1.077 -4.527 1.00 0.00 C ATOM 324 C GLY A 24 9.119 -2.341 -4.115 1.00 0.00 C ATOM 325 O GLY A 24 10.343 -2.424 -4.220 1.00 0.00 O ATOM 0 H GLY A 24 6.582 -1.587 -3.599 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.073 -1.166 -5.566 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.077 -0.232 -4.475 1.00 0.00 H new ATOM 329 N LEU A 25 8.366 -3.329 -3.644 1.00 0.00 N ATOM 330 CA LEU A 25 8.947 -4.596 -3.213 1.00 0.00 C ATOM 331 C LEU A 25 8.099 -5.773 -3.684 1.00 0.00 C ATOM 332 O LEU A 25 7.097 -5.591 -4.375 1.00 0.00 O ATOM 333 CB LEU A 25 9.080 -4.626 -1.689 1.00 0.00 C ATOM 334 CG LEU A 25 9.756 -3.412 -1.050 1.00 0.00 C ATOM 335 CD1 LEU A 25 9.330 -3.268 0.403 1.00 0.00 C ATOM 336 CD2 LEU A 25 11.270 -3.528 -1.155 1.00 0.00 C ATOM 0 H LEU A 25 7.352 -3.277 -3.551 1.00 0.00 H new ATOM 0 HA LEU A 25 9.937 -4.684 -3.660 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.084 -4.730 -1.259 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.642 -5.518 -1.411 1.00 0.00 H new ATOM 0 HG LEU A 25 9.442 -2.519 -1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.821 -2.399 0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.249 -3.138 0.454 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.615 -4.163 0.956 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.735 -2.656 -0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.602 -4.430 -0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.559 -3.582 -2.205 1.00 0.00 H new ATOM 348 N ASP A 26 8.507 -6.979 -3.305 1.00 0.00 N ATOM 349 CA ASP A 26 7.783 -8.186 -3.686 1.00 0.00 C ATOM 350 C ASP A 26 7.392 -8.996 -2.454 1.00 0.00 C ATOM 351 O ASP A 26 7.789 -8.675 -1.334 1.00 0.00 O ATOM 352 CB ASP A 26 8.635 -9.041 -4.625 1.00 0.00 C ATOM 353 CG ASP A 26 9.292 -8.222 -5.719 1.00 0.00 C ATOM 354 OD1 ASP A 26 10.191 -7.418 -5.398 1.00 0.00 O ATOM 355 OD2 ASP A 26 8.905 -8.384 -6.895 1.00 0.00 O ATOM 0 H ASP A 26 9.335 -7.147 -2.734 1.00 0.00 H new ATOM 0 HA ASP A 26 6.873 -7.886 -4.205 1.00 0.00 H new ATOM 0 HB2 ASP A 26 9.404 -9.553 -4.047 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.010 -9.811 -5.077 1.00 0.00 H new ATOM 360 N LYS A 27 6.609 -10.048 -2.669 1.00 0.00 N ATOM 361 CA LYS A 27 6.163 -10.906 -1.577 1.00 0.00 C ATOM 362 C LYS A 27 7.353 -11.532 -0.856 1.00 0.00 C ATOM 363 O LYS A 27 7.216 -12.051 0.251 1.00 0.00 O ATOM 364 CB LYS A 27 5.240 -12.005 -2.109 1.00 0.00 C ATOM 365 CG LYS A 27 4.044 -11.474 -2.879 1.00 0.00 C ATOM 366 CD LYS A 27 2.955 -12.525 -3.012 1.00 0.00 C ATOM 367 CE LYS A 27 1.734 -11.975 -3.734 1.00 0.00 C ATOM 368 NZ LYS A 27 1.893 -12.032 -5.214 1.00 0.00 N ATOM 0 H LYS A 27 6.270 -10.327 -3.590 1.00 0.00 H new ATOM 0 HA LYS A 27 5.613 -10.290 -0.866 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.814 -12.668 -2.757 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.885 -12.606 -1.272 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.644 -10.596 -2.371 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.362 -11.151 -3.870 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.343 -13.386 -3.556 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.665 -12.878 -2.022 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.852 -12.544 -3.441 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.564 -10.943 -3.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.039 -12.445 -5.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.034 -11.071 -5.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.717 -12.620 -5.452 1.00 0.00 H new ATOM 382 N ASN A 28 8.519 -11.477 -1.491 1.00 0.00 N ATOM 383 CA ASN A 28 9.733 -12.038 -0.908 1.00 0.00 C ATOM 384 C ASN A 28 10.308 -11.106 0.154 1.00 0.00 C ATOM 385 O ASN A 28 10.992 -11.547 1.077 1.00 0.00 O ATOM 386 CB ASN A 28 10.776 -12.292 -1.998 1.00 0.00 C ATOM 387 CG ASN A 28 10.282 -13.257 -3.058 1.00 0.00 C ATOM 388 OD1 ASN A 28 10.322 -14.474 -2.873 1.00 0.00 O ATOM 389 ND2 ASN A 28 9.813 -12.718 -4.177 1.00 0.00 N ATOM 0 H ASN A 28 8.649 -11.050 -2.408 1.00 0.00 H new ATOM 0 HA ASN A 28 9.474 -12.985 -0.433 1.00 0.00 H new ATOM 0 HB2 ASN A 28 11.044 -11.346 -2.468 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.683 -12.690 -1.543 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.467 -13.318 -4.926 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.799 -11.704 -4.288 1.00 0.00 H new ATOM 396 N ALA A 29 10.024 -9.815 0.017 1.00 0.00 N ATOM 397 CA ALA A 29 10.510 -8.821 0.966 1.00 0.00 C ATOM 398 C ALA A 29 10.061 -9.152 2.386 1.00 0.00 C ATOM 399 O ALA A 29 9.072 -9.857 2.588 1.00 0.00 O ATOM 400 CB ALA A 29 10.029 -7.433 0.569 1.00 0.00 C ATOM 0 H ALA A 29 9.460 -9.433 -0.742 1.00 0.00 H new ATOM 0 HA ALA A 29 11.600 -8.836 0.944 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.399 -6.701 1.286 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.403 -7.189 -0.425 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.939 -7.414 0.561 1.00 0.00 H new ATOM 406 N THR A 30 10.797 -8.641 3.368 1.00 0.00 N ATOM 407 CA THR A 30 10.476 -8.884 4.769 1.00 0.00 C ATOM 408 C THR A 30 9.915 -7.630 5.430 1.00 0.00 C ATOM 409 O THR A 30 10.218 -6.510 5.018 1.00 0.00 O ATOM 410 CB THR A 30 11.714 -9.354 5.555 1.00 0.00 C ATOM 411 OG1 THR A 30 11.367 -9.583 6.925 1.00 0.00 O ATOM 412 CG2 THR A 30 12.830 -8.324 5.475 1.00 0.00 C ATOM 0 H THR A 30 11.619 -8.056 3.219 1.00 0.00 H new ATOM 0 HA THR A 30 9.722 -9.670 4.789 1.00 0.00 H new ATOM 0 HB THR A 30 12.067 -10.284 5.110 1.00 0.00 H new ATOM 0 HG1 THR A 30 12.159 -9.883 7.417 1.00 0.00 H new ATOM 0 HG21 THR A 30 13.693 -8.679 6.038 1.00 0.00 H new ATOM 0 HG22 THR A 30 13.113 -8.174 4.433 1.00 0.00 H new ATOM 0 HG23 THR A 30 12.485 -7.380 5.897 1.00 0.00 H new ATOM 420 N SER A 31 9.095 -7.825 6.458 1.00 0.00 N ATOM 421 CA SER A 31 8.489 -6.709 7.175 1.00 0.00 C ATOM 422 C SER A 31 9.490 -5.573 7.359 1.00 0.00 C ATOM 423 O SER A 31 9.196 -4.416 7.059 1.00 0.00 O ATOM 424 CB SER A 31 7.969 -7.172 8.537 1.00 0.00 C ATOM 425 OG SER A 31 9.007 -7.752 9.308 1.00 0.00 O ATOM 0 H SER A 31 8.835 -8.745 6.813 1.00 0.00 H new ATOM 0 HA SER A 31 7.653 -6.340 6.581 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.542 -6.325 9.074 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.167 -7.897 8.397 1.00 0.00 H new ATOM 0 HG SER A 31 8.650 -8.038 10.175 1.00 0.00 H new ATOM 431 N ASP A 32 10.675 -5.913 7.855 1.00 0.00 N ATOM 432 CA ASP A 32 11.722 -4.923 8.079 1.00 0.00 C ATOM 433 C ASP A 32 11.934 -4.064 6.836 1.00 0.00 C ATOM 434 O ASP A 32 11.950 -2.836 6.913 1.00 0.00 O ATOM 435 CB ASP A 32 13.031 -5.612 8.466 1.00 0.00 C ATOM 436 CG ASP A 32 13.164 -5.803 9.964 1.00 0.00 C ATOM 437 OD1 ASP A 32 13.438 -4.807 10.666 1.00 0.00 O ATOM 438 OD2 ASP A 32 12.996 -6.947 10.435 1.00 0.00 O ATOM 0 H ASP A 32 10.934 -6.866 8.109 1.00 0.00 H new ATOM 0 HA ASP A 32 11.405 -4.275 8.897 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.087 -6.582 7.973 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.871 -5.020 8.102 1.00 0.00 H new ATOM 443 N ASP A 33 12.095 -4.719 5.691 1.00 0.00 N ATOM 444 CA ASP A 33 12.306 -4.016 4.431 1.00 0.00 C ATOM 445 C ASP A 33 11.125 -3.104 4.114 1.00 0.00 C ATOM 446 O ASP A 33 11.303 -1.995 3.609 1.00 0.00 O ATOM 447 CB ASP A 33 12.513 -5.016 3.293 1.00 0.00 C ATOM 448 CG ASP A 33 13.880 -5.671 3.339 1.00 0.00 C ATOM 449 OD1 ASP A 33 14.341 -6.004 4.451 1.00 0.00 O ATOM 450 OD2 ASP A 33 14.488 -5.850 2.264 1.00 0.00 O ATOM 0 H ASP A 33 12.083 -5.736 5.610 1.00 0.00 H new ATOM 0 HA ASP A 33 13.201 -3.401 4.531 1.00 0.00 H new ATOM 0 HB2 ASP A 33 11.743 -5.785 3.345 1.00 0.00 H new ATOM 0 HB3 ASP A 33 12.390 -4.506 2.338 1.00 0.00 H new ATOM 455 N ILE A 34 9.920 -3.579 4.413 1.00 0.00 N ATOM 456 CA ILE A 34 8.711 -2.806 4.159 1.00 0.00 C ATOM 457 C ILE A 34 8.748 -1.470 4.894 1.00 0.00 C ATOM 458 O ILE A 34 8.822 -0.409 4.274 1.00 0.00 O ATOM 459 CB ILE A 34 7.449 -3.578 4.586 1.00 0.00 C ATOM 460 CG1 ILE A 34 7.208 -4.763 3.648 1.00 0.00 C ATOM 461 CG2 ILE A 34 6.241 -2.653 4.602 1.00 0.00 C ATOM 462 CD1 ILE A 34 6.282 -5.811 4.223 1.00 0.00 C ATOM 0 H ILE A 34 9.756 -4.495 4.831 1.00 0.00 H new ATOM 0 HA ILE A 34 8.672 -2.627 3.085 1.00 0.00 H new ATOM 0 HB ILE A 34 7.600 -3.962 5.595 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.790 -4.395 2.711 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.165 -5.227 3.409 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.357 -3.214 4.906 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.415 -1.840 5.307 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.085 -2.242 3.605 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.157 -6.620 3.504 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.708 -6.207 5.145 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.312 -5.362 4.436 1.00 0.00 H new ATOM 474 N LYS A 35 8.699 -1.529 6.220 1.00 0.00 N ATOM 475 CA LYS A 35 8.730 -0.325 7.042 1.00 0.00 C ATOM 476 C LYS A 35 9.894 0.577 6.642 1.00 0.00 C ATOM 477 O LYS A 35 9.740 1.793 6.530 1.00 0.00 O ATOM 478 CB LYS A 35 8.843 -0.696 8.523 1.00 0.00 C ATOM 479 CG LYS A 35 7.694 -1.552 9.025 1.00 0.00 C ATOM 480 CD LYS A 35 8.134 -2.470 10.153 1.00 0.00 C ATOM 481 CE LYS A 35 7.284 -3.730 10.209 1.00 0.00 C ATOM 482 NZ LYS A 35 7.691 -4.625 11.327 1.00 0.00 N ATOM 0 H LYS A 35 8.638 -2.399 6.749 1.00 0.00 H new ATOM 0 HA LYS A 35 7.800 0.219 6.880 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.780 -1.229 8.685 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.890 0.218 9.115 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.885 -0.909 9.372 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.297 -2.148 8.203 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.181 -2.742 10.015 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.064 -1.940 11.103 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.236 -3.456 10.327 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.369 -4.267 9.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.088 -5.472 11.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.684 -4.908 11.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.586 -4.121 12.231 1.00 0.00 H new ATOM 496 N LYS A 36 11.057 -0.028 6.427 1.00 0.00 N ATOM 497 CA LYS A 36 12.247 0.719 6.037 1.00 0.00 C ATOM 498 C LYS A 36 11.989 1.531 4.771 1.00 0.00 C ATOM 499 O LYS A 36 11.887 2.756 4.818 1.00 0.00 O ATOM 500 CB LYS A 36 13.423 -0.234 5.814 1.00 0.00 C ATOM 501 CG LYS A 36 14.245 -0.490 7.065 1.00 0.00 C ATOM 502 CD LYS A 36 15.263 -1.597 6.847 1.00 0.00 C ATOM 503 CE LYS A 36 16.540 -1.063 6.218 1.00 0.00 C ATOM 504 NZ LYS A 36 17.441 -0.444 7.230 1.00 0.00 N ATOM 0 H LYS A 36 11.201 -1.034 6.516 1.00 0.00 H new ATOM 0 HA LYS A 36 12.494 1.407 6.845 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.043 -1.184 5.438 1.00 0.00 H new ATOM 0 HB3 LYS A 36 14.072 0.178 5.041 1.00 0.00 H new ATOM 0 HG2 LYS A 36 14.759 0.426 7.357 1.00 0.00 H new ATOM 0 HG3 LYS A 36 13.583 -0.760 7.888 1.00 0.00 H new ATOM 0 HD2 LYS A 36 15.496 -2.071 7.800 1.00 0.00 H new ATOM 0 HD3 LYS A 36 14.834 -2.366 6.205 1.00 0.00 H new ATOM 0 HE2 LYS A 36 17.064 -1.875 5.714 1.00 0.00 H new ATOM 0 HE3 LYS A 36 16.288 -0.325 5.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 18.300 -0.092 6.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 16.951 0.348 7.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 17.702 -1.155 7.943 1.00 0.00 H new ATOM 518 N SER A 37 11.884 0.838 3.641 1.00 0.00 N ATOM 519 CA SER A 37 11.640 1.495 2.362 1.00 0.00 C ATOM 520 C SER A 37 10.521 2.525 2.485 1.00 0.00 C ATOM 521 O SER A 37 10.608 3.622 1.932 1.00 0.00 O ATOM 522 CB SER A 37 11.281 0.460 1.294 1.00 0.00 C ATOM 523 OG SER A 37 12.336 -0.467 1.108 1.00 0.00 O ATOM 0 H SER A 37 11.964 -0.177 3.585 1.00 0.00 H new ATOM 0 HA SER A 37 12.554 2.011 2.066 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.374 -0.070 1.587 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.065 0.964 0.352 1.00 0.00 H new ATOM 0 HG SER A 37 12.276 -1.171 1.787 1.00 0.00 H new ATOM 529 N TYR A 38 9.470 2.164 3.213 1.00 0.00 N ATOM 530 CA TYR A 38 8.333 3.055 3.408 1.00 0.00 C ATOM 531 C TYR A 38 8.796 4.450 3.813 1.00 0.00 C ATOM 532 O TYR A 38 8.401 5.448 3.209 1.00 0.00 O ATOM 533 CB TYR A 38 7.391 2.489 4.472 1.00 0.00 C ATOM 534 CG TYR A 38 6.577 3.545 5.184 1.00 0.00 C ATOM 535 CD1 TYR A 38 5.679 4.345 4.487 1.00 0.00 C ATOM 536 CD2 TYR A 38 6.706 3.746 6.552 1.00 0.00 C ATOM 537 CE1 TYR A 38 4.933 5.312 5.132 1.00 0.00 C ATOM 538 CE2 TYR A 38 5.963 4.709 7.207 1.00 0.00 C ATOM 539 CZ TYR A 38 5.078 5.490 6.492 1.00 0.00 C ATOM 540 OH TYR A 38 4.338 6.452 7.140 1.00 0.00 O ATOM 0 H TYR A 38 9.382 1.260 3.678 1.00 0.00 H new ATOM 0 HA TYR A 38 7.798 3.131 2.461 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.714 1.775 4.003 1.00 0.00 H new ATOM 0 HB3 TYR A 38 7.977 1.937 5.207 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.563 4.208 3.422 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.400 3.138 7.114 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.240 5.925 4.575 1.00 0.00 H new ATOM 0 HE2 TYR A 38 6.074 4.850 8.272 1.00 0.00 H new ATOM 0 HH TYR A 38 3.497 6.598 6.658 1.00 0.00 H new ATOM 550 N ARG A 39 9.638 4.512 4.839 1.00 0.00 N ATOM 551 CA ARG A 39 10.156 5.785 5.327 1.00 0.00 C ATOM 552 C ARG A 39 10.507 6.710 4.165 1.00 0.00 C ATOM 553 O ARG A 39 9.985 7.820 4.061 1.00 0.00 O ATOM 554 CB ARG A 39 11.390 5.556 6.201 1.00 0.00 C ATOM 555 CG ARG A 39 11.085 4.852 7.513 1.00 0.00 C ATOM 556 CD ARG A 39 12.319 4.762 8.397 1.00 0.00 C ATOM 557 NE ARG A 39 12.492 5.957 9.219 1.00 0.00 N ATOM 558 CZ ARG A 39 13.579 6.200 9.943 1.00 0.00 C ATOM 559 NH1 ARG A 39 14.585 5.336 9.946 1.00 0.00 N ATOM 560 NH2 ARG A 39 13.662 7.310 10.665 1.00 0.00 N ATOM 0 H ARG A 39 9.976 3.696 5.349 1.00 0.00 H new ATOM 0 HA ARG A 39 9.379 6.260 5.925 1.00 0.00 H new ATOM 0 HB2 ARG A 39 12.116 4.966 5.642 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.857 6.517 6.414 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.297 5.389 8.041 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.707 3.850 7.310 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.240 3.887 9.042 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.202 4.620 7.774 1.00 0.00 H new ATOM 0 HE ARG A 39 11.737 6.642 9.238 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.526 4.482 9.391 1.00 0.00 H new ATOM 0 HH12 ARG A 39 15.418 5.525 10.503 1.00 0.00 H new ATOM 0 HH21 ARG A 39 12.891 7.978 10.664 1.00 0.00 H new ATOM 0 HH22 ARG A 39 14.497 7.496 11.221 1.00 0.00 H new ATOM 574 N LYS A 40 11.396 6.245 3.293 1.00 0.00 N ATOM 575 CA LYS A 40 11.817 7.029 2.138 1.00 0.00 C ATOM 576 C LYS A 40 10.611 7.526 1.349 1.00 0.00 C ATOM 577 O LYS A 40 10.503 8.715 1.044 1.00 0.00 O ATOM 578 CB LYS A 40 12.723 6.193 1.232 1.00 0.00 C ATOM 579 CG LYS A 40 13.866 5.517 1.970 1.00 0.00 C ATOM 580 CD LYS A 40 14.776 4.761 1.017 1.00 0.00 C ATOM 581 CE LYS A 40 15.414 3.557 1.693 1.00 0.00 C ATOM 582 NZ LYS A 40 16.720 3.200 1.073 1.00 0.00 N ATOM 0 H LYS A 40 11.839 5.329 3.365 1.00 0.00 H new ATOM 0 HA LYS A 40 12.373 7.894 2.500 1.00 0.00 H new ATOM 0 HB2 LYS A 40 12.122 5.432 0.735 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.134 6.834 0.452 1.00 0.00 H new ATOM 0 HG2 LYS A 40 14.445 6.266 2.510 1.00 0.00 H new ATOM 0 HG3 LYS A 40 13.464 4.829 2.713 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.204 4.432 0.150 1.00 0.00 H new ATOM 0 HD3 LYS A 40 15.555 5.429 0.650 1.00 0.00 H new ATOM 0 HE2 LYS A 40 15.561 3.771 2.752 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.737 2.705 1.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 17.122 2.375 1.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 16.577 2.971 0.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 17.375 4.004 1.155 1.00 0.00 H new ATOM 596 N LEU A 41 9.705 6.611 1.022 1.00 0.00 N ATOM 597 CA LEU A 41 8.504 6.957 0.269 1.00 0.00 C ATOM 598 C LEU A 41 7.653 7.965 1.035 1.00 0.00 C ATOM 599 O LEU A 41 6.729 8.560 0.481 1.00 0.00 O ATOM 600 CB LEU A 41 7.684 5.701 -0.027 1.00 0.00 C ATOM 601 CG LEU A 41 8.480 4.457 -0.421 1.00 0.00 C ATOM 602 CD1 LEU A 41 7.543 3.317 -0.788 1.00 0.00 C ATOM 603 CD2 LEU A 41 9.420 4.769 -1.577 1.00 0.00 C ATOM 0 H LEU A 41 9.779 5.624 1.266 1.00 0.00 H new ATOM 0 HA LEU A 41 8.813 7.411 -0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.090 5.463 0.855 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.984 5.929 -0.831 1.00 0.00 H new ATOM 0 HG LEU A 41 9.079 4.147 0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.128 2.440 -1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.911 3.076 0.067 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.917 3.617 -1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.979 3.872 -1.844 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.840 5.105 -2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.115 5.554 -1.279 1.00 0.00 H new ATOM 615 N ALA A 42 7.973 8.154 2.311 1.00 0.00 N ATOM 616 CA ALA A 42 7.241 9.093 3.152 1.00 0.00 C ATOM 617 C ALA A 42 7.932 10.452 3.188 1.00 0.00 C ATOM 618 O ALA A 42 7.331 11.456 3.572 1.00 0.00 O ATOM 619 CB ALA A 42 7.093 8.536 4.560 1.00 0.00 C ATOM 0 H ALA A 42 8.735 7.669 2.785 1.00 0.00 H new ATOM 0 HA ALA A 42 6.249 9.231 2.722 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.544 9.248 5.177 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.548 7.593 4.523 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.080 8.368 4.990 1.00 0.00 H new ATOM 625 N LEU A 43 9.198 10.477 2.786 1.00 0.00 N ATOM 626 CA LEU A 43 9.972 11.713 2.773 1.00 0.00 C ATOM 627 C LEU A 43 9.895 12.390 1.408 1.00 0.00 C ATOM 628 O LEU A 43 10.155 13.587 1.280 1.00 0.00 O ATOM 629 CB LEU A 43 11.432 11.428 3.131 1.00 0.00 C ATOM 630 CG LEU A 43 11.744 11.297 4.623 1.00 0.00 C ATOM 631 CD1 LEU A 43 11.479 9.878 5.100 1.00 0.00 C ATOM 632 CD2 LEU A 43 13.185 11.696 4.903 1.00 0.00 C ATOM 0 H LEU A 43 9.710 9.655 2.465 1.00 0.00 H new ATOM 0 HA LEU A 43 9.546 12.386 3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.734 10.506 2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 43 12.049 12.227 2.720 1.00 0.00 H new ATOM 0 HG LEU A 43 11.088 11.972 5.173 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.706 9.803 6.163 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.431 9.628 4.935 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.109 9.184 4.545 1.00 0.00 H new ATOM 0 HD21 LEU A 43 13.389 11.597 5.969 1.00 0.00 H new ATOM 0 HD22 LEU A 43 13.858 11.047 4.343 1.00 0.00 H new ATOM 0 HD23 LEU A 43 13.342 12.731 4.598 1.00 0.00 H new ATOM 644 N LYS A 44 9.532 11.617 0.390 1.00 0.00 N ATOM 645 CA LYS A 44 9.416 12.141 -0.966 1.00 0.00 C ATOM 646 C LYS A 44 7.963 12.456 -1.304 1.00 0.00 C ATOM 647 O LYS A 44 7.682 13.342 -2.111 1.00 0.00 O ATOM 648 CB LYS A 44 9.979 11.136 -1.973 1.00 0.00 C ATOM 649 CG LYS A 44 9.127 9.888 -2.128 1.00 0.00 C ATOM 650 CD LYS A 44 9.631 9.006 -3.259 1.00 0.00 C ATOM 651 CE LYS A 44 10.722 8.059 -2.782 1.00 0.00 C ATOM 652 NZ LYS A 44 12.058 8.716 -2.767 1.00 0.00 N ATOM 0 H LYS A 44 9.313 10.625 0.478 1.00 0.00 H new ATOM 0 HA LYS A 44 9.993 13.064 -1.023 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.076 11.622 -2.944 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.982 10.845 -1.661 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.133 9.324 -1.195 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.093 10.174 -2.321 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.802 8.430 -3.670 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.016 9.630 -4.065 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.481 7.702 -1.781 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.754 7.185 -3.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.789 8.023 -3.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.067 9.500 -3.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 12.253 9.085 -1.814 1.00 0.00 H new ATOM 666 N TYR A 45 7.044 11.726 -0.682 1.00 0.00 N ATOM 667 CA TYR A 45 5.619 11.928 -0.919 1.00 0.00 C ATOM 668 C TYR A 45 4.954 12.586 0.287 1.00 0.00 C ATOM 669 O TYR A 45 3.728 12.634 0.384 1.00 0.00 O ATOM 670 CB TYR A 45 4.938 10.593 -1.226 1.00 0.00 C ATOM 671 CG TYR A 45 5.355 9.991 -2.549 1.00 0.00 C ATOM 672 CD1 TYR A 45 5.022 10.605 -3.750 1.00 0.00 C ATOM 673 CD2 TYR A 45 6.082 8.808 -2.597 1.00 0.00 C ATOM 674 CE1 TYR A 45 5.400 10.057 -4.960 1.00 0.00 C ATOM 675 CE2 TYR A 45 6.465 8.254 -3.803 1.00 0.00 C ATOM 676 CZ TYR A 45 6.122 8.882 -4.982 1.00 0.00 C ATOM 677 OH TYR A 45 6.501 8.335 -6.186 1.00 0.00 O ATOM 0 H TYR A 45 7.260 10.989 -0.010 1.00 0.00 H new ATOM 0 HA TYR A 45 5.509 12.590 -1.778 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.165 9.887 -0.427 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.858 10.737 -1.226 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.458 11.526 -3.737 1.00 0.00 H new ATOM 0 HD2 TYR A 45 6.352 8.313 -1.676 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.132 10.546 -5.885 1.00 0.00 H new ATOM 0 HE2 TYR A 45 7.030 7.334 -3.823 1.00 0.00 H new ATOM 0 HH TYR A 45 7.004 7.509 -6.026 1.00 0.00 H new ATOM 687 N HIS A 46 5.773 13.092 1.203 1.00 0.00 N ATOM 688 CA HIS A 46 5.266 13.748 2.403 1.00 0.00 C ATOM 689 C HIS A 46 4.243 14.822 2.043 1.00 0.00 C ATOM 690 O HIS A 46 4.393 15.553 1.065 1.00 0.00 O ATOM 691 CB HIS A 46 6.417 14.369 3.195 1.00 0.00 C ATOM 692 CG HIS A 46 6.170 14.417 4.671 1.00 0.00 C ATOM 693 ND1 HIS A 46 5.518 15.462 5.292 1.00 0.00 N ATOM 694 CD2 HIS A 46 6.491 13.541 5.652 1.00 0.00 C ATOM 695 CE1 HIS A 46 5.450 15.227 6.590 1.00 0.00 C ATOM 696 NE2 HIS A 46 6.033 14.067 6.834 1.00 0.00 N ATOM 0 H HIS A 46 6.790 13.060 1.137 1.00 0.00 H new ATOM 0 HA HIS A 46 4.775 12.995 3.020 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.327 13.799 3.005 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.593 15.381 2.831 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.011 12.603 5.528 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.995 15.873 7.326 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.127 13.633 7.752 1.00 0.00 H new ATOM 704 N PRO A 47 3.178 14.919 2.852 1.00 0.00 N ATOM 705 CA PRO A 47 2.109 15.899 2.639 1.00 0.00 C ATOM 706 C PRO A 47 2.569 17.327 2.912 1.00 0.00 C ATOM 707 O PRO A 47 1.915 18.288 2.507 1.00 0.00 O ATOM 708 CB PRO A 47 1.037 15.480 3.648 1.00 0.00 C ATOM 709 CG PRO A 47 1.785 14.766 4.720 1.00 0.00 C ATOM 710 CD PRO A 47 2.934 14.079 4.037 1.00 0.00 C ATOM 0 HA PRO A 47 1.762 15.905 1.606 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.507 16.346 4.045 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.291 14.833 3.187 1.00 0.00 H new ATOM 0 HG2 PRO A 47 2.142 15.464 5.477 1.00 0.00 H new ATOM 0 HG3 PRO A 47 1.145 14.044 5.228 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.812 14.028 4.681 1.00 0.00 H new ATOM 0 HD3 PRO A 47 2.683 13.055 3.759 1.00 0.00 H new ATOM 718 N ASP A 48 3.698 17.458 3.601 1.00 0.00 N ATOM 719 CA ASP A 48 4.246 18.769 3.927 1.00 0.00 C ATOM 720 C ASP A 48 5.226 19.231 2.853 1.00 0.00 C ATOM 721 O ASP A 48 5.374 20.427 2.605 1.00 0.00 O ATOM 722 CB ASP A 48 4.943 18.730 5.288 1.00 0.00 C ATOM 723 CG ASP A 48 6.037 19.772 5.409 1.00 0.00 C ATOM 724 OD1 ASP A 48 5.714 20.940 5.711 1.00 0.00 O ATOM 725 OD2 ASP A 48 7.217 19.419 5.202 1.00 0.00 O ATOM 0 H ASP A 48 4.251 16.672 3.944 1.00 0.00 H new ATOM 0 HA ASP A 48 3.421 19.480 3.970 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.206 18.889 6.075 1.00 0.00 H new ATOM 0 HB3 ASP A 48 5.370 17.740 5.446 1.00 0.00 H new ATOM 730 N LYS A 49 5.895 18.273 2.219 1.00 0.00 N ATOM 731 CA LYS A 49 6.862 18.580 1.171 1.00 0.00 C ATOM 732 C LYS A 49 6.156 18.931 -0.134 1.00 0.00 C ATOM 733 O LYS A 49 6.723 19.600 -0.997 1.00 0.00 O ATOM 734 CB LYS A 49 7.801 17.392 0.952 1.00 0.00 C ATOM 735 CG LYS A 49 8.411 16.854 2.235 1.00 0.00 C ATOM 736 CD LYS A 49 9.724 17.545 2.561 1.00 0.00 C ATOM 737 CE LYS A 49 10.836 17.098 1.625 1.00 0.00 C ATOM 738 NZ LYS A 49 12.166 17.611 2.059 1.00 0.00 N ATOM 0 H LYS A 49 5.785 17.278 2.413 1.00 0.00 H new ATOM 0 HA LYS A 49 7.446 19.443 1.491 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.251 16.591 0.458 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.602 17.693 0.277 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.711 16.994 3.058 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.578 15.781 2.138 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.596 18.625 2.487 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.005 17.328 3.591 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.862 16.009 1.586 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.623 17.448 0.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.897 17.285 1.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.150 18.651 2.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.381 17.256 3.013 1.00 0.00 H new ATOM 752 N ASN A 50 4.914 18.476 -0.272 1.00 0.00 N ATOM 753 CA ASN A 50 4.131 18.743 -1.472 1.00 0.00 C ATOM 754 C ASN A 50 2.803 19.405 -1.119 1.00 0.00 C ATOM 755 O ASN A 50 1.761 18.755 -1.030 1.00 0.00 O ATOM 756 CB ASN A 50 3.877 17.444 -2.240 1.00 0.00 C ATOM 757 CG ASN A 50 5.158 16.686 -2.533 1.00 0.00 C ATOM 758 OD1 ASN A 50 5.791 16.169 -1.487 1.00 0.00 O flip ATOM 759 ND2 ASN A 50 5.572 16.567 -3.686 1.00 0.00 N flip ATOM 0 H ASN A 50 4.429 17.921 0.433 1.00 0.00 H new ATOM 0 HA ASN A 50 4.701 19.425 -2.103 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.206 16.809 -1.662 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.371 17.673 -3.178 1.00 0.00 H new ATOM 0 HD21 ASN A 50 5.052 16.981 -4.460 1.00 0.00 H new ATOM 0 HD22 ASN A 50 6.435 16.054 -3.868 1.00 0.00 H new ATOM 766 N PRO A 51 2.838 20.730 -0.913 1.00 0.00 N ATOM 767 CA PRO A 51 1.646 21.510 -0.567 1.00 0.00 C ATOM 768 C PRO A 51 0.667 21.619 -1.731 1.00 0.00 C ATOM 769 O PRO A 51 1.060 21.910 -2.861 1.00 0.00 O ATOM 770 CB PRO A 51 2.214 22.888 -0.215 1.00 0.00 C ATOM 771 CG PRO A 51 3.500 22.970 -0.962 1.00 0.00 C ATOM 772 CD PRO A 51 4.045 21.569 -1.002 1.00 0.00 C ATOM 0 HA PRO A 51 1.077 21.049 0.241 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.532 23.685 -0.512 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.373 22.988 0.859 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.343 23.356 -1.969 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.197 23.646 -0.466 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.599 21.380 -1.921 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.728 21.380 -0.174 1.00 0.00 H new ATOM 780 N ASP A 52 -0.609 21.383 -1.448 1.00 0.00 N ATOM 781 CA ASP A 52 -1.646 21.456 -2.471 1.00 0.00 C ATOM 782 C ASP A 52 -1.259 20.633 -3.696 1.00 0.00 C ATOM 783 O ASP A 52 -1.599 20.984 -4.825 1.00 0.00 O ATOM 784 CB ASP A 52 -1.891 22.911 -2.876 1.00 0.00 C ATOM 785 CG ASP A 52 -2.495 23.730 -1.752 1.00 0.00 C ATOM 786 OD1 ASP A 52 -3.416 23.224 -1.078 1.00 0.00 O ATOM 787 OD2 ASP A 52 -2.048 24.878 -1.547 1.00 0.00 O ATOM 0 H ASP A 52 -0.951 21.139 -0.518 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.564 21.043 -2.053 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.948 23.363 -3.185 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.556 22.938 -3.739 1.00 0.00 H new ATOM 792 N ASN A 53 -0.545 19.537 -3.464 1.00 0.00 N ATOM 793 CA ASN A 53 -0.110 18.664 -4.548 1.00 0.00 C ATOM 794 C ASN A 53 -0.940 17.384 -4.583 1.00 0.00 C ATOM 795 O ASN A 53 -0.942 16.591 -3.642 1.00 0.00 O ATOM 796 CB ASN A 53 1.373 18.320 -4.391 1.00 0.00 C ATOM 797 CG ASN A 53 2.021 17.941 -5.708 1.00 0.00 C ATOM 798 OD1 ASN A 53 2.968 17.011 -5.656 1.00 0.00 O flip ATOM 799 ND2 ASN A 53 1.675 18.478 -6.760 1.00 0.00 N flip ATOM 0 H ASN A 53 -0.255 19.232 -2.535 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.255 19.195 -5.489 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.898 19.174 -3.963 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.479 17.495 -3.686 1.00 0.00 H new ATOM 0 HD21 ASN A 53 0.943 19.188 -6.753 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.120 18.213 -7.638 1.00 0.00 H new ATOM 806 N PRO A 54 -1.662 17.177 -5.694 1.00 0.00 N ATOM 807 CA PRO A 54 -2.508 15.995 -5.879 1.00 0.00 C ATOM 808 C PRO A 54 -1.692 14.719 -6.054 1.00 0.00 C ATOM 809 O PRO A 54 -1.937 13.718 -5.381 1.00 0.00 O ATOM 810 CB PRO A 54 -3.285 16.312 -7.159 1.00 0.00 C ATOM 811 CG PRO A 54 -2.417 17.268 -7.902 1.00 0.00 C ATOM 812 CD PRO A 54 -1.706 18.081 -6.856 1.00 0.00 C ATOM 0 HA PRO A 54 -3.143 15.809 -5.013 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -3.471 15.410 -7.743 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.256 16.752 -6.934 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.705 16.738 -8.535 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.011 17.907 -8.556 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -0.706 18.367 -7.181 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.243 19.002 -6.629 1.00 0.00 H new ATOM 820 N GLU A 55 -0.721 14.762 -6.961 1.00 0.00 N ATOM 821 CA GLU A 55 0.131 13.608 -7.223 1.00 0.00 C ATOM 822 C GLU A 55 0.645 13.004 -5.919 1.00 0.00 C ATOM 823 O GLU A 55 0.705 11.784 -5.769 1.00 0.00 O ATOM 824 CB GLU A 55 1.310 14.008 -8.113 1.00 0.00 C ATOM 825 CG GLU A 55 2.242 15.020 -7.469 1.00 0.00 C ATOM 826 CD GLU A 55 3.502 15.251 -8.281 1.00 0.00 C ATOM 827 OE1 GLU A 55 4.194 14.262 -8.599 1.00 0.00 O ATOM 828 OE2 GLU A 55 3.795 16.423 -8.599 1.00 0.00 O ATOM 0 H GLU A 55 -0.505 15.583 -7.526 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.466 12.857 -7.740 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.879 13.115 -8.371 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.926 14.422 -9.046 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.715 15.966 -7.345 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.515 14.674 -6.472 1.00 0.00 H new ATOM 835 N ALA A 56 1.017 13.868 -4.980 1.00 0.00 N ATOM 836 CA ALA A 56 1.525 13.421 -3.689 1.00 0.00 C ATOM 837 C ALA A 56 0.448 12.686 -2.900 1.00 0.00 C ATOM 838 O ALA A 56 0.573 11.494 -2.621 1.00 0.00 O ATOM 839 CB ALA A 56 2.052 14.605 -2.891 1.00 0.00 C ATOM 0 H ALA A 56 0.976 14.881 -5.089 1.00 0.00 H new ATOM 0 HA ALA A 56 2.344 12.725 -3.870 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.428 14.257 -1.929 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.859 15.086 -3.444 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.247 15.321 -2.728 1.00 0.00 H new ATOM 845 N ALA A 57 -0.611 13.405 -2.541 1.00 0.00 N ATOM 846 CA ALA A 57 -1.711 12.820 -1.785 1.00 0.00 C ATOM 847 C ALA A 57 -2.187 11.520 -2.425 1.00 0.00 C ATOM 848 O ALA A 57 -2.509 10.556 -1.729 1.00 0.00 O ATOM 849 CB ALA A 57 -2.862 13.809 -1.676 1.00 0.00 C ATOM 0 H ALA A 57 -0.730 14.394 -2.762 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.348 12.590 -0.783 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.676 13.358 -1.109 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.520 14.710 -1.167 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.215 14.068 -2.674 1.00 0.00 H new ATOM 855 N ASP A 58 -2.230 11.501 -3.752 1.00 0.00 N ATOM 856 CA ASP A 58 -2.667 10.318 -4.486 1.00 0.00 C ATOM 857 C ASP A 58 -1.854 9.094 -4.076 1.00 0.00 C ATOM 858 O ASP A 58 -2.409 8.029 -3.803 1.00 0.00 O ATOM 859 CB ASP A 58 -2.538 10.550 -5.992 1.00 0.00 C ATOM 860 CG ASP A 58 -3.421 9.618 -6.799 1.00 0.00 C ATOM 861 OD1 ASP A 58 -3.008 8.462 -7.028 1.00 0.00 O ATOM 862 OD2 ASP A 58 -4.523 10.044 -7.201 1.00 0.00 O ATOM 0 H ASP A 58 -1.968 12.291 -4.342 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.714 10.135 -4.243 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.800 11.583 -6.221 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.499 10.411 -6.291 1.00 0.00 H new ATOM 867 N LYS A 59 -0.535 9.251 -4.036 1.00 0.00 N ATOM 868 CA LYS A 59 0.355 8.160 -3.660 1.00 0.00 C ATOM 869 C LYS A 59 0.392 7.985 -2.145 1.00 0.00 C ATOM 870 O LYS A 59 0.105 6.905 -1.628 1.00 0.00 O ATOM 871 CB LYS A 59 1.768 8.422 -4.188 1.00 0.00 C ATOM 872 CG LYS A 59 1.990 7.920 -5.604 1.00 0.00 C ATOM 873 CD LYS A 59 2.140 6.408 -5.643 1.00 0.00 C ATOM 874 CE LYS A 59 2.123 5.883 -7.070 1.00 0.00 C ATOM 875 NZ LYS A 59 3.454 6.014 -7.725 1.00 0.00 N ATOM 0 H LYS A 59 -0.059 10.125 -4.260 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.029 7.242 -4.105 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.966 9.493 -4.156 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.489 7.944 -3.525 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.152 8.220 -6.233 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.883 8.386 -6.020 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.074 6.121 -5.160 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.332 5.946 -5.075 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.821 4.836 -7.068 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.378 6.429 -7.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.401 5.645 -8.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.732 7.016 -7.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.160 5.472 -7.187 1.00 0.00 H new ATOM 889 N PHE A 60 0.745 9.054 -1.439 1.00 0.00 N ATOM 890 CA PHE A 60 0.819 9.018 0.017 1.00 0.00 C ATOM 891 C PHE A 60 -0.258 8.103 0.593 1.00 0.00 C ATOM 892 O PHE A 60 0.045 7.092 1.228 1.00 0.00 O ATOM 893 CB PHE A 60 0.666 10.428 0.591 1.00 0.00 C ATOM 894 CG PHE A 60 1.202 10.568 1.987 1.00 0.00 C ATOM 895 CD1 PHE A 60 2.543 10.348 2.254 1.00 0.00 C ATOM 896 CD2 PHE A 60 0.364 10.921 3.033 1.00 0.00 C ATOM 897 CE1 PHE A 60 3.039 10.475 3.538 1.00 0.00 C ATOM 898 CE2 PHE A 60 0.853 11.050 4.319 1.00 0.00 C ATOM 899 CZ PHE A 60 2.193 10.828 4.571 1.00 0.00 C ATOM 0 H PHE A 60 0.984 9.956 -1.851 1.00 0.00 H new ATOM 0 HA PHE A 60 1.795 8.623 0.297 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.181 11.135 -0.060 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.389 10.701 0.586 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.209 10.074 1.449 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.684 11.097 2.841 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.086 10.298 3.733 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.189 11.324 5.125 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.579 10.930 5.575 1.00 0.00 H new ATOM 909 N LYS A 61 -1.516 8.464 0.368 1.00 0.00 N ATOM 910 CA LYS A 61 -2.639 7.677 0.863 1.00 0.00 C ATOM 911 C LYS A 61 -2.374 6.185 0.695 1.00 0.00 C ATOM 912 O LYS A 61 -2.634 5.393 1.601 1.00 0.00 O ATOM 913 CB LYS A 61 -3.924 8.064 0.127 1.00 0.00 C ATOM 914 CG LYS A 61 -4.141 7.292 -1.163 1.00 0.00 C ATOM 915 CD LYS A 61 -5.501 7.592 -1.771 1.00 0.00 C ATOM 916 CE LYS A 61 -5.640 9.064 -2.125 1.00 0.00 C ATOM 917 NZ LYS A 61 -6.996 9.382 -2.653 1.00 0.00 N ATOM 0 H LYS A 61 -1.784 9.298 -0.155 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.758 7.889 1.925 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.775 7.898 0.787 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.897 9.130 -0.097 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.358 7.548 -1.877 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.057 6.223 -0.967 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.642 6.986 -2.666 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.285 7.310 -1.068 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.443 9.670 -1.241 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.889 9.331 -2.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.050 10.395 -2.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.174 8.822 -3.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.711 9.151 -1.934 1.00 0.00 H new ATOM 931 N GLU A 62 -1.852 5.808 -0.468 1.00 0.00 N ATOM 932 CA GLU A 62 -1.551 4.410 -0.753 1.00 0.00 C ATOM 933 C GLU A 62 -0.365 3.929 0.077 1.00 0.00 C ATOM 934 O GLU A 62 -0.432 2.886 0.729 1.00 0.00 O ATOM 935 CB GLU A 62 -1.255 4.222 -2.242 1.00 0.00 C ATOM 936 CG GLU A 62 -2.480 3.860 -3.066 1.00 0.00 C ATOM 937 CD GLU A 62 -3.704 4.664 -2.673 1.00 0.00 C ATOM 938 OE1 GLU A 62 -4.436 4.224 -1.762 1.00 0.00 O ATOM 939 OE2 GLU A 62 -3.930 5.733 -3.278 1.00 0.00 O ATOM 0 H GLU A 62 -1.629 6.451 -1.228 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.425 3.815 -0.486 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.821 5.141 -2.636 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.505 3.440 -2.359 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.265 4.025 -4.122 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.693 2.798 -2.946 1.00 0.00 H new ATOM 946 N ILE A 63 0.720 4.696 0.048 1.00 0.00 N ATOM 947 CA ILE A 63 1.921 4.349 0.798 1.00 0.00 C ATOM 948 C ILE A 63 1.573 3.880 2.207 1.00 0.00 C ATOM 949 O ILE A 63 1.892 2.757 2.595 1.00 0.00 O ATOM 950 CB ILE A 63 2.891 5.542 0.891 1.00 0.00 C ATOM 951 CG1 ILE A 63 3.161 6.117 -0.501 1.00 0.00 C ATOM 952 CG2 ILE A 63 4.192 5.116 1.555 1.00 0.00 C ATOM 953 CD1 ILE A 63 4.220 7.197 -0.513 1.00 0.00 C ATOM 0 H ILE A 63 0.792 5.562 -0.487 1.00 0.00 H new ATOM 0 HA ILE A 63 2.407 3.537 0.257 1.00 0.00 H new ATOM 0 HB ILE A 63 2.431 6.319 1.502 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.469 5.310 -1.165 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.233 6.524 -0.903 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.867 5.970 1.614 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.984 4.748 2.560 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.658 4.325 0.968 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.359 7.559 -1.532 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.905 8.023 0.125 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.160 6.789 -0.141 1.00 0.00 H new ATOM 965 N ASN A 64 0.915 4.749 2.968 1.00 0.00 N ATOM 966 CA ASN A 64 0.522 4.423 4.334 1.00 0.00 C ATOM 967 C ASN A 64 -0.455 3.252 4.355 1.00 0.00 C ATOM 968 O ASN A 64 -0.472 2.462 5.298 1.00 0.00 O ATOM 969 CB ASN A 64 -0.112 5.642 5.009 1.00 0.00 C ATOM 970 CG ASN A 64 0.784 6.865 4.952 1.00 0.00 C ATOM 971 OD1 ASN A 64 1.752 6.974 5.705 1.00 0.00 O ATOM 972 ND2 ASN A 64 0.464 7.791 4.057 1.00 0.00 N ATOM 0 H ASN A 64 0.643 5.683 2.662 1.00 0.00 H new ATOM 0 HA ASN A 64 1.418 4.135 4.884 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -1.062 5.868 4.526 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -0.332 5.404 6.050 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.030 8.636 3.972 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.348 7.658 3.454 1.00 0.00 H new ATOM 979 N ASN A 65 -1.267 3.147 3.308 1.00 0.00 N ATOM 980 CA ASN A 65 -2.247 2.071 3.205 1.00 0.00 C ATOM 981 C ASN A 65 -1.557 0.713 3.128 1.00 0.00 C ATOM 982 O ASN A 65 -1.699 -0.118 4.024 1.00 0.00 O ATOM 983 CB ASN A 65 -3.133 2.277 1.975 1.00 0.00 C ATOM 984 CG ASN A 65 -3.609 0.966 1.380 1.00 0.00 C ATOM 985 OD1 ASN A 65 -2.921 0.358 0.559 1.00 0.00 O ATOM 986 ND2 ASN A 65 -4.791 0.524 1.791 1.00 0.00 N ATOM 0 H ASN A 65 -1.266 3.793 2.519 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.869 2.092 4.100 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.996 2.883 2.250 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.579 2.835 1.221 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -5.163 -0.352 1.425 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -5.327 1.061 2.473 1.00 0.00 H new ATOM 993 N ALA A 66 -0.810 0.495 2.051 1.00 0.00 N ATOM 994 CA ALA A 66 -0.097 -0.762 1.858 1.00 0.00 C ATOM 995 C ALA A 66 0.841 -1.046 3.026 1.00 0.00 C ATOM 996 O ALA A 66 0.766 -2.103 3.652 1.00 0.00 O ATOM 997 CB ALA A 66 0.681 -0.732 0.550 1.00 0.00 C ATOM 0 H ALA A 66 -0.683 1.172 1.299 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.833 -1.565 1.813 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.209 -1.677 0.419 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.009 -0.583 -0.280 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.401 0.086 0.574 1.00 0.00 H new ATOM 1003 N HIS A 67 1.725 -0.095 3.315 1.00 0.00 N ATOM 1004 CA HIS A 67 2.678 -0.244 4.409 1.00 0.00 C ATOM 1005 C HIS A 67 1.963 -0.612 5.706 1.00 0.00 C ATOM 1006 O HIS A 67 2.307 -1.598 6.357 1.00 0.00 O ATOM 1007 CB HIS A 67 3.472 1.048 4.600 1.00 0.00 C ATOM 1008 CG HIS A 67 4.142 1.147 5.936 1.00 0.00 C ATOM 1009 ND1 HIS A 67 5.083 0.365 6.515 1.00 0.00 N flip ATOM 1010 CD2 HIS A 67 3.862 2.145 6.846 1.00 0.00 C flip ATOM 1011 CE1 HIS A 67 5.352 0.900 7.751 1.00 0.00 C flip ATOM 1012 NE2 HIS A 67 4.602 1.973 7.926 1.00 0.00 N flip ATOM 0 H HIS A 67 1.801 0.786 2.807 1.00 0.00 H new ATOM 0 HA HIS A 67 3.365 -1.050 4.152 1.00 0.00 H new ATOM 0 HB2 HIS A 67 4.228 1.120 3.818 1.00 0.00 H new ATOM 0 HB3 HIS A 67 2.802 1.899 4.475 1.00 0.00 H new ATOM 0 HD2 HIS A 67 3.149 2.943 6.698 1.00 0.00 H new ATOM 0 HE1 HIS A 67 6.062 0.507 8.464 1.00 0.00 H new ATOM 0 HE2 HIS A 67 4.596 2.568 8.755 1.00 0.00 H new ATOM 1020 N ALA A 68 0.967 0.187 6.074 1.00 0.00 N ATOM 1021 CA ALA A 68 0.204 -0.056 7.292 1.00 0.00 C ATOM 1022 C ALA A 68 -0.423 -1.446 7.279 1.00 0.00 C ATOM 1023 O ALA A 68 -0.385 -2.164 8.279 1.00 0.00 O ATOM 1024 CB ALA A 68 -0.870 1.008 7.463 1.00 0.00 C ATOM 0 H ALA A 68 0.670 1.008 5.546 1.00 0.00 H new ATOM 0 HA ALA A 68 0.890 -0.003 8.137 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.432 0.814 8.377 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.402 1.990 7.526 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.546 0.983 6.609 1.00 0.00 H new ATOM 1030 N ILE A 69 -1.000 -1.819 6.141 1.00 0.00 N ATOM 1031 CA ILE A 69 -1.635 -3.123 5.999 1.00 0.00 C ATOM 1032 C ILE A 69 -0.611 -4.248 6.111 1.00 0.00 C ATOM 1033 O ILE A 69 -0.943 -5.367 6.504 1.00 0.00 O ATOM 1034 CB ILE A 69 -2.372 -3.247 4.653 1.00 0.00 C ATOM 1035 CG1 ILE A 69 -3.654 -2.412 4.669 1.00 0.00 C ATOM 1036 CG2 ILE A 69 -2.687 -4.705 4.353 1.00 0.00 C ATOM 1037 CD1 ILE A 69 -4.160 -2.053 3.289 1.00 0.00 C ATOM 0 H ILE A 69 -1.041 -1.237 5.305 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.359 -3.211 6.809 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.723 -2.866 3.865 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.430 -2.963 5.199 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.474 -1.495 5.231 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.208 -4.776 3.398 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.759 -5.275 4.303 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.320 -5.110 5.142 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.071 -1.461 3.378 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.401 -1.474 2.762 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.373 -2.965 2.731 1.00 0.00 H new ATOM 1049 N LEU A 70 0.634 -3.943 5.764 1.00 0.00 N ATOM 1050 CA LEU A 70 1.709 -4.928 5.827 1.00 0.00 C ATOM 1051 C LEU A 70 2.340 -4.957 7.215 1.00 0.00 C ATOM 1052 O LEU A 70 2.213 -5.940 7.947 1.00 0.00 O ATOM 1053 CB LEU A 70 2.775 -4.616 4.776 1.00 0.00 C ATOM 1054 CG LEU A 70 2.323 -4.694 3.317 1.00 0.00 C ATOM 1055 CD1 LEU A 70 3.344 -4.029 2.406 1.00 0.00 C ATOM 1056 CD2 LEU A 70 2.100 -6.141 2.905 1.00 0.00 C ATOM 0 H LEU A 70 0.925 -3.022 5.436 1.00 0.00 H new ATOM 0 HA LEU A 70 1.282 -5.910 5.622 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.159 -3.613 4.963 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.607 -5.307 4.915 1.00 0.00 H new ATOM 0 HG LEU A 70 1.378 -4.160 3.220 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.006 -4.094 1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.454 -2.981 2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.305 -4.534 2.506 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.779 -6.178 1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.030 -6.699 3.018 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.331 -6.585 3.538 1.00 0.00 H new ATOM 1068 N THR A 71 3.020 -3.872 7.574 1.00 0.00 N ATOM 1069 CA THR A 71 3.670 -3.773 8.875 1.00 0.00 C ATOM 1070 C THR A 71 2.809 -4.394 9.968 1.00 0.00 C ATOM 1071 O THR A 71 3.325 -4.912 10.959 1.00 0.00 O ATOM 1072 CB THR A 71 3.969 -2.308 9.243 1.00 0.00 C ATOM 1073 OG1 THR A 71 4.276 -2.206 10.638 1.00 0.00 O ATOM 1074 CG2 THR A 71 2.783 -1.414 8.913 1.00 0.00 C ATOM 0 H THR A 71 3.135 -3.050 6.982 1.00 0.00 H new ATOM 0 HA THR A 71 4.610 -4.321 8.802 1.00 0.00 H new ATOM 0 HB THR A 71 4.827 -1.977 8.657 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.466 -1.272 10.864 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.018 -0.384 9.182 1.00 0.00 H new ATOM 0 HG22 THR A 71 2.570 -1.471 7.845 1.00 0.00 H new ATOM 0 HG23 THR A 71 1.910 -1.746 9.475 1.00 0.00 H new ATOM 1082 N ASP A 72 1.494 -4.340 9.783 1.00 0.00 N ATOM 1083 CA ASP A 72 0.561 -4.900 10.754 1.00 0.00 C ATOM 1084 C ASP A 72 0.551 -6.423 10.682 1.00 0.00 C ATOM 1085 O ASP A 72 0.543 -7.003 9.596 1.00 0.00 O ATOM 1086 CB ASP A 72 -0.847 -4.355 10.511 1.00 0.00 C ATOM 1087 CG ASP A 72 -1.106 -3.064 11.262 1.00 0.00 C ATOM 1088 OD1 ASP A 72 -0.626 -2.006 10.805 1.00 0.00 O ATOM 1089 OD2 ASP A 72 -1.789 -3.112 12.307 1.00 0.00 O ATOM 0 H ASP A 72 1.050 -3.914 8.969 1.00 0.00 H new ATOM 0 HA ASP A 72 0.890 -4.605 11.750 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.989 -4.186 9.444 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.580 -5.102 10.815 1.00 0.00 H new ATOM 1094 N ALA A 73 0.551 -7.066 11.845 1.00 0.00 N ATOM 1095 CA ALA A 73 0.540 -8.521 11.914 1.00 0.00 C ATOM 1096 C ALA A 73 -0.817 -9.081 11.502 1.00 0.00 C ATOM 1097 O ALA A 73 -0.915 -9.880 10.571 1.00 0.00 O ATOM 1098 CB ALA A 73 0.901 -8.986 13.317 1.00 0.00 C ATOM 0 H ALA A 73 0.559 -6.601 12.753 1.00 0.00 H new ATOM 0 HA ALA A 73 1.286 -8.898 11.215 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.889 -10.075 13.354 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.897 -8.625 13.575 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.176 -8.591 14.029 1.00 0.00 H new ATOM 1104 N THR A 74 -1.864 -8.656 12.203 1.00 0.00 N ATOM 1105 CA THR A 74 -3.216 -9.116 11.912 1.00 0.00 C ATOM 1106 C THR A 74 -3.557 -8.924 10.438 1.00 0.00 C ATOM 1107 O THR A 74 -4.012 -9.852 9.769 1.00 0.00 O ATOM 1108 CB THR A 74 -4.259 -8.374 12.769 1.00 0.00 C ATOM 1109 OG1 THR A 74 -3.828 -8.328 14.134 1.00 0.00 O ATOM 1110 CG2 THR A 74 -5.615 -9.057 12.683 1.00 0.00 C ATOM 0 H THR A 74 -1.801 -7.994 12.976 1.00 0.00 H new ATOM 0 HA THR A 74 -3.247 -10.178 12.154 1.00 0.00 H new ATOM 0 HB THR A 74 -4.357 -7.359 12.385 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.496 -7.853 14.672 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.335 -8.515 13.296 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.954 -9.064 11.647 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.530 -10.082 13.044 1.00 0.00 H new ATOM 1118 N LYS A 75 -3.333 -7.714 9.937 1.00 0.00 N ATOM 1119 CA LYS A 75 -3.614 -7.399 8.541 1.00 0.00 C ATOM 1120 C LYS A 75 -2.927 -8.394 7.611 1.00 0.00 C ATOM 1121 O LYS A 75 -3.576 -9.032 6.781 1.00 0.00 O ATOM 1122 CB LYS A 75 -3.154 -5.977 8.215 1.00 0.00 C ATOM 1123 CG LYS A 75 -4.031 -4.898 8.826 1.00 0.00 C ATOM 1124 CD LYS A 75 -5.304 -4.693 8.022 1.00 0.00 C ATOM 1125 CE LYS A 75 -6.024 -3.418 8.434 1.00 0.00 C ATOM 1126 NZ LYS A 75 -6.960 -2.943 7.378 1.00 0.00 N ATOM 0 H LYS A 75 -2.957 -6.935 10.477 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.691 -7.469 8.388 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.131 -5.845 8.568 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.136 -5.849 7.133 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.286 -5.172 9.850 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.476 -3.961 8.875 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.062 -4.648 6.960 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.966 -5.548 8.162 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.577 -3.595 9.356 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.291 -2.640 8.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.431 -2.072 7.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.429 -2.749 6.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.675 -3.675 7.193 1.00 0.00 H new ATOM 1140 N ARG A 76 -1.612 -8.521 7.755 1.00 0.00 N ATOM 1141 CA ARG A 76 -0.838 -9.438 6.927 1.00 0.00 C ATOM 1142 C ARG A 76 -1.495 -10.815 6.880 1.00 0.00 C ATOM 1143 O ARG A 76 -1.389 -11.530 5.885 1.00 0.00 O ATOM 1144 CB ARG A 76 0.590 -9.560 7.462 1.00 0.00 C ATOM 1145 CG ARG A 76 1.554 -8.552 6.860 1.00 0.00 C ATOM 1146 CD ARG A 76 1.833 -8.854 5.395 1.00 0.00 C ATOM 1147 NE ARG A 76 2.805 -9.932 5.234 1.00 0.00 N ATOM 1148 CZ ARG A 76 2.472 -11.216 5.157 1.00 0.00 C ATOM 1149 NH1 ARG A 76 1.199 -11.579 5.226 1.00 0.00 N ATOM 1150 NH2 ARG A 76 3.414 -12.139 5.010 1.00 0.00 N ATOM 0 H ARG A 76 -1.060 -8.001 8.437 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.806 -9.035 5.915 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.575 -9.434 8.545 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.959 -10.566 7.263 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.138 -7.549 6.953 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.489 -8.562 7.419 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.902 -9.128 4.898 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.204 -7.955 4.904 1.00 0.00 H new ATOM 0 HE ARG A 76 3.793 -9.686 5.178 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.472 -10.872 5.338 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.946 -12.565 5.167 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.394 -11.863 4.956 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.158 -13.124 4.951 1.00 0.00 H new ATOM 1164 N ASN A 77 -2.173 -11.178 7.964 1.00 0.00 N ATOM 1165 CA ASN A 77 -2.846 -12.469 8.048 1.00 0.00 C ATOM 1166 C ASN A 77 -4.172 -12.441 7.293 1.00 0.00 C ATOM 1167 O ASN A 77 -4.513 -13.388 6.583 1.00 0.00 O ATOM 1168 CB ASN A 77 -3.087 -12.849 9.510 1.00 0.00 C ATOM 1169 CG ASN A 77 -1.983 -13.727 10.069 1.00 0.00 C ATOM 1170 OD1 ASN A 77 -0.857 -13.274 10.271 1.00 0.00 O ATOM 1171 ND2 ASN A 77 -2.303 -14.991 10.321 1.00 0.00 N ATOM 0 H ASN A 77 -2.271 -10.596 8.796 1.00 0.00 H new ATOM 0 HA ASN A 77 -2.201 -13.217 7.587 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -3.165 -11.942 10.110 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.040 -13.371 9.595 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -1.602 -15.629 10.698 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -3.250 -15.324 10.138 1.00 0.00 H new ATOM 1178 N ILE A 78 -4.913 -11.350 7.451 1.00 0.00 N ATOM 1179 CA ILE A 78 -6.200 -11.198 6.783 1.00 0.00 C ATOM 1180 C ILE A 78 -6.028 -11.114 5.271 1.00 0.00 C ATOM 1181 O ILE A 78 -6.816 -11.681 4.513 1.00 0.00 O ATOM 1182 CB ILE A 78 -6.944 -9.943 7.275 1.00 0.00 C ATOM 1183 CG1 ILE A 78 -7.283 -10.073 8.761 1.00 0.00 C ATOM 1184 CG2 ILE A 78 -8.207 -9.721 6.455 1.00 0.00 C ATOM 1185 CD1 ILE A 78 -7.866 -8.812 9.361 1.00 0.00 C ATOM 0 H ILE A 78 -4.645 -10.558 8.035 1.00 0.00 H new ATOM 0 HA ILE A 78 -6.790 -12.080 7.030 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.293 -9.079 7.145 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.992 -10.890 8.893 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.380 -10.343 9.309 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -8.722 -8.830 6.814 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.941 -9.588 5.406 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.863 -10.585 6.556 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.082 -8.977 10.416 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.150 -7.996 9.261 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.787 -8.553 8.839 1.00 0.00 H new ATOM 1197 N TYR A 79 -4.992 -10.406 4.837 1.00 0.00 N ATOM 1198 CA TYR A 79 -4.716 -10.247 3.414 1.00 0.00 C ATOM 1199 C TYR A 79 -4.082 -11.509 2.838 1.00 0.00 C ATOM 1200 O TYR A 79 -4.247 -11.816 1.657 1.00 0.00 O ATOM 1201 CB TYR A 79 -3.793 -9.049 3.183 1.00 0.00 C ATOM 1202 CG TYR A 79 -3.774 -8.567 1.750 1.00 0.00 C ATOM 1203 CD1 TYR A 79 -4.907 -8.014 1.167 1.00 0.00 C ATOM 1204 CD2 TYR A 79 -2.622 -8.666 0.978 1.00 0.00 C ATOM 1205 CE1 TYR A 79 -4.895 -7.574 -0.142 1.00 0.00 C ATOM 1206 CE2 TYR A 79 -2.600 -8.227 -0.331 1.00 0.00 C ATOM 1207 CZ TYR A 79 -3.739 -7.682 -0.887 1.00 0.00 C ATOM 1208 OH TYR A 79 -3.721 -7.244 -2.192 1.00 0.00 O ATOM 0 H TYR A 79 -4.329 -9.933 5.450 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.663 -10.072 2.904 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.107 -8.229 3.829 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -2.780 -9.319 3.480 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -5.813 -7.927 1.748 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.729 -9.094 1.409 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.786 -7.148 -0.580 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.696 -8.310 -0.916 1.00 0.00 H new ATOM 0 HH TYR A 79 -2.831 -7.391 -2.574 1.00 0.00 H new ATOM 1218 N ASP A 80 -3.359 -12.238 3.681 1.00 0.00 N ATOM 1219 CA ASP A 80 -2.701 -13.469 3.257 1.00 0.00 C ATOM 1220 C ASP A 80 -3.685 -14.634 3.246 1.00 0.00 C ATOM 1221 O ASP A 80 -3.603 -15.522 2.397 1.00 0.00 O ATOM 1222 CB ASP A 80 -1.524 -13.787 4.181 1.00 0.00 C ATOM 1223 CG ASP A 80 -0.832 -15.084 3.810 1.00 0.00 C ATOM 1224 OD1 ASP A 80 -0.311 -15.176 2.679 1.00 0.00 O ATOM 1225 OD2 ASP A 80 -0.813 -16.008 4.651 1.00 0.00 O ATOM 0 H ASP A 80 -3.214 -11.998 4.662 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.328 -13.323 2.243 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -0.804 -12.970 4.142 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.880 -13.849 5.210 1.00 0.00 H new ATOM 1230 N LYS A 81 -4.615 -14.626 4.195 1.00 0.00 N ATOM 1231 CA LYS A 81 -5.616 -15.681 4.296 1.00 0.00 C ATOM 1232 C LYS A 81 -6.788 -15.411 3.359 1.00 0.00 C ATOM 1233 O LYS A 81 -7.207 -16.288 2.603 1.00 0.00 O ATOM 1234 CB LYS A 81 -6.118 -15.800 5.737 1.00 0.00 C ATOM 1235 CG LYS A 81 -6.551 -17.206 6.116 1.00 0.00 C ATOM 1236 CD LYS A 81 -7.431 -17.203 7.354 1.00 0.00 C ATOM 1237 CE LYS A 81 -7.967 -18.594 7.661 1.00 0.00 C ATOM 1238 NZ LYS A 81 -7.052 -19.356 8.556 1.00 0.00 N ATOM 0 H LYS A 81 -4.696 -13.899 4.906 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.148 -16.620 4.002 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -5.329 -15.477 6.416 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.958 -15.120 5.878 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.092 -17.658 5.285 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.671 -17.823 6.296 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.860 -16.836 8.207 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -8.264 -16.515 7.208 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.947 -18.510 8.130 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -8.105 -19.144 6.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -7.452 -20.298 8.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.124 -19.458 8.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.940 -18.845 9.455 1.00 0.00 H new ATOM 1252 N TYR A 82 -7.313 -14.192 3.412 1.00 0.00 N ATOM 1253 CA TYR A 82 -8.438 -13.806 2.568 1.00 0.00 C ATOM 1254 C TYR A 82 -7.976 -12.917 1.417 1.00 0.00 C ATOM 1255 O TYR A 82 -8.015 -13.317 0.254 1.00 0.00 O ATOM 1256 CB TYR A 82 -9.498 -13.078 3.396 1.00 0.00 C ATOM 1257 CG TYR A 82 -9.806 -13.752 4.714 1.00 0.00 C ATOM 1258 CD1 TYR A 82 -9.870 -15.137 4.810 1.00 0.00 C ATOM 1259 CD2 TYR A 82 -10.033 -13.005 5.863 1.00 0.00 C ATOM 1260 CE1 TYR A 82 -10.151 -15.757 6.011 1.00 0.00 C ATOM 1261 CE2 TYR A 82 -10.313 -13.617 7.069 1.00 0.00 C ATOM 1262 CZ TYR A 82 -10.372 -14.993 7.138 1.00 0.00 C ATOM 1263 OH TYR A 82 -10.652 -15.607 8.338 1.00 0.00 O ATOM 0 H TYR A 82 -6.978 -13.454 4.031 1.00 0.00 H new ATOM 0 HA TYR A 82 -8.874 -14.713 2.150 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -9.160 -12.060 3.589 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -10.415 -13.004 2.812 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -9.697 -15.739 3.930 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.990 -11.927 5.812 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.198 -16.834 6.068 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.485 -13.021 7.953 1.00 0.00 H new ATOM 0 HH TYR A 82 -10.780 -14.927 9.032 1.00 0.00 H new ATOM 1273 N GLY A 83 -7.538 -11.707 1.751 1.00 0.00 N ATOM 1274 CA GLY A 83 -7.074 -10.780 0.736 1.00 0.00 C ATOM 1275 C GLY A 83 -7.900 -9.510 0.690 1.00 0.00 C ATOM 1276 O GLY A 83 -8.203 -8.920 1.727 1.00 0.00 O ATOM 0 H GLY A 83 -7.496 -11.352 2.706 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.032 -10.525 0.930 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.107 -11.267 -0.239 1.00 0.00 H new ATOM 1280 N SER A 84 -8.265 -9.086 -0.516 1.00 0.00 N ATOM 1281 CA SER A 84 -9.057 -7.875 -0.693 1.00 0.00 C ATOM 1282 C SER A 84 -10.389 -7.984 0.042 1.00 0.00 C ATOM 1283 O SER A 84 -10.758 -7.100 0.816 1.00 0.00 O ATOM 1284 CB SER A 84 -9.302 -7.614 -2.181 1.00 0.00 C ATOM 1285 OG SER A 84 -10.095 -6.455 -2.371 1.00 0.00 O ATOM 0 H SER A 84 -8.025 -9.563 -1.385 1.00 0.00 H new ATOM 0 HA SER A 84 -8.497 -7.040 -0.272 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.348 -7.494 -2.694 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.798 -8.475 -2.628 1.00 0.00 H new ATOM 0 HG SER A 84 -10.236 -6.309 -3.330 1.00 0.00 H new ATOM 1291 N LEU A 85 -11.107 -9.073 -0.207 1.00 0.00 N ATOM 1292 CA LEU A 85 -12.399 -9.300 0.431 1.00 0.00 C ATOM 1293 C LEU A 85 -12.287 -9.179 1.947 1.00 0.00 C ATOM 1294 O LEU A 85 -13.078 -8.485 2.585 1.00 0.00 O ATOM 1295 CB LEU A 85 -12.939 -10.682 0.057 1.00 0.00 C ATOM 1296 CG LEU A 85 -14.347 -11.009 0.555 1.00 0.00 C ATOM 1297 CD1 LEU A 85 -15.369 -10.082 -0.084 1.00 0.00 C ATOM 1298 CD2 LEU A 85 -14.690 -12.464 0.267 1.00 0.00 C ATOM 0 H LEU A 85 -10.817 -9.813 -0.846 1.00 0.00 H new ATOM 0 HA LEU A 85 -13.091 -8.537 0.074 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -12.929 -10.772 -1.029 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.254 -11.435 0.446 1.00 0.00 H new ATOM 0 HG LEU A 85 -14.374 -10.856 1.634 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -16.365 -10.330 0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -15.135 -9.049 0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -15.341 -10.201 -1.167 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -15.696 -12.679 0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -14.644 -12.643 -0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -13.976 -13.113 0.774 1.00 0.00 H new ATOM 1310 N GLY A 86 -11.297 -9.857 2.519 1.00 0.00 N ATOM 1311 CA GLY A 86 -11.098 -9.811 3.955 1.00 0.00 C ATOM 1312 C GLY A 86 -11.060 -8.393 4.490 1.00 0.00 C ATOM 1313 O GLY A 86 -11.795 -8.050 5.417 1.00 0.00 O ATOM 0 H GLY A 86 -10.629 -10.438 2.013 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -11.900 -10.361 4.448 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -10.165 -10.316 4.206 1.00 0.00 H new ATOM 1317 N LEU A 87 -10.200 -7.565 3.906 1.00 0.00 N ATOM 1318 CA LEU A 87 -10.067 -6.176 4.330 1.00 0.00 C ATOM 1319 C LEU A 87 -11.395 -5.438 4.200 1.00 0.00 C ATOM 1320 O LEU A 87 -11.841 -4.772 5.135 1.00 0.00 O ATOM 1321 CB LEU A 87 -8.995 -5.469 3.499 1.00 0.00 C ATOM 1322 CG LEU A 87 -7.579 -6.036 3.607 1.00 0.00 C ATOM 1323 CD1 LEU A 87 -6.625 -5.268 2.705 1.00 0.00 C ATOM 1324 CD2 LEU A 87 -7.098 -5.997 5.050 1.00 0.00 C ATOM 0 H LEU A 87 -9.585 -7.832 3.138 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.769 -6.169 5.378 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.297 -5.498 2.452 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.968 -4.420 3.794 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.599 -7.075 3.279 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.623 -5.686 2.796 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.959 -5.347 1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.609 -4.219 3.002 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.089 -6.404 5.108 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.094 -4.966 5.405 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.766 -6.592 5.672 1.00 0.00 H new ATOM 1336 N TYR A 88 -12.025 -5.562 3.037 1.00 0.00 N ATOM 1337 CA TYR A 88 -13.303 -4.907 2.786 1.00 0.00 C ATOM 1338 C TYR A 88 -14.327 -5.282 3.852 1.00 0.00 C ATOM 1339 O TYR A 88 -14.901 -4.415 4.511 1.00 0.00 O ATOM 1340 CB TYR A 88 -13.830 -5.286 1.401 1.00 0.00 C ATOM 1341 CG TYR A 88 -15.330 -5.148 1.265 1.00 0.00 C ATOM 1342 CD1 TYR A 88 -15.942 -3.903 1.343 1.00 0.00 C ATOM 1343 CD2 TYR A 88 -16.134 -6.262 1.059 1.00 0.00 C ATOM 1344 CE1 TYR A 88 -17.312 -3.773 1.220 1.00 0.00 C ATOM 1345 CE2 TYR A 88 -17.504 -6.141 0.934 1.00 0.00 C ATOM 1346 CZ TYR A 88 -18.089 -4.895 1.016 1.00 0.00 C ATOM 1347 OH TYR A 88 -19.453 -4.769 0.892 1.00 0.00 O ATOM 0 H TYR A 88 -11.671 -6.110 2.253 1.00 0.00 H new ATOM 0 HA TYR A 88 -13.144 -3.829 2.825 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -13.346 -4.658 0.653 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -13.547 -6.316 1.183 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -15.337 -3.023 1.502 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -15.680 -7.240 0.995 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -17.772 -2.798 1.283 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -18.114 -7.018 0.773 1.00 0.00 H new ATOM 0 HH TYR A 88 -19.852 -5.653 0.752 1.00 0.00 H new ATOM 1357 N VAL A 89 -14.550 -6.582 4.018 1.00 0.00 N ATOM 1358 CA VAL A 89 -15.503 -7.074 5.005 1.00 0.00 C ATOM 1359 C VAL A 89 -15.195 -6.519 6.391 1.00 0.00 C ATOM 1360 O VAL A 89 -16.040 -5.882 7.018 1.00 0.00 O ATOM 1361 CB VAL A 89 -15.501 -8.613 5.069 1.00 0.00 C ATOM 1362 CG1 VAL A 89 -16.447 -9.104 6.154 1.00 0.00 C ATOM 1363 CG2 VAL A 89 -15.875 -9.202 3.717 1.00 0.00 C ATOM 0 H VAL A 89 -14.083 -7.313 3.481 1.00 0.00 H new ATOM 0 HA VAL A 89 -16.489 -6.732 4.690 1.00 0.00 H new ATOM 0 HB VAL A 89 -14.495 -8.948 5.320 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -16.432 -10.193 6.184 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -16.129 -8.710 7.119 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -17.459 -8.761 5.937 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -15.869 -10.290 3.780 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -16.871 -8.861 3.434 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -15.154 -8.878 2.967 1.00 0.00 H new ATOM 1373 N ALA A 90 -13.977 -6.765 6.864 1.00 0.00 N ATOM 1374 CA ALA A 90 -13.555 -6.287 8.175 1.00 0.00 C ATOM 1375 C ALA A 90 -13.830 -4.795 8.330 1.00 0.00 C ATOM 1376 O ALA A 90 -14.309 -4.349 9.372 1.00 0.00 O ATOM 1377 CB ALA A 90 -12.078 -6.579 8.393 1.00 0.00 C ATOM 0 H ALA A 90 -13.265 -7.293 6.358 1.00 0.00 H new ATOM 0 HA ALA A 90 -14.134 -6.817 8.931 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.777 -6.217 9.376 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -11.907 -7.654 8.334 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.490 -6.076 7.625 1.00 0.00 H new ATOM 1383 N GLU A 91 -13.524 -4.030 7.287 1.00 0.00 N ATOM 1384 CA GLU A 91 -13.737 -2.587 7.310 1.00 0.00 C ATOM 1385 C GLU A 91 -15.196 -2.258 7.611 1.00 0.00 C ATOM 1386 O GLU A 91 -15.492 -1.303 8.329 1.00 0.00 O ATOM 1387 CB GLU A 91 -13.329 -1.968 5.972 1.00 0.00 C ATOM 1388 CG GLU A 91 -12.903 -0.513 6.080 1.00 0.00 C ATOM 1389 CD GLU A 91 -12.034 -0.072 4.918 1.00 0.00 C ATOM 1390 OE1 GLU A 91 -12.596 0.310 3.869 1.00 0.00 O ATOM 1391 OE2 GLU A 91 -10.794 -0.109 5.056 1.00 0.00 O ATOM 0 H GLU A 91 -13.128 -4.385 6.416 1.00 0.00 H new ATOM 0 HA GLU A 91 -13.117 -2.166 8.101 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -12.509 -2.548 5.548 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.165 -2.043 5.277 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.790 0.119 6.126 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -12.358 -0.366 7.013 1.00 0.00 H new ATOM 1398 N GLN A 92 -16.103 -3.056 7.057 1.00 0.00 N ATOM 1399 CA GLN A 92 -17.532 -2.848 7.265 1.00 0.00 C ATOM 1400 C GLN A 92 -17.967 -3.383 8.625 1.00 0.00 C ATOM 1401 O GLN A 92 -18.537 -2.653 9.437 1.00 0.00 O ATOM 1402 CB GLN A 92 -18.334 -3.530 6.155 1.00 0.00 C ATOM 1403 CG GLN A 92 -18.083 -2.944 4.775 1.00 0.00 C ATOM 1404 CD GLN A 92 -18.572 -1.514 4.650 1.00 0.00 C ATOM 1405 OE1 GLN A 92 -18.111 -0.624 5.365 1.00 0.00 O ATOM 1406 NE2 GLN A 92 -19.510 -1.286 3.738 1.00 0.00 N ATOM 0 H GLN A 92 -15.875 -3.852 6.461 1.00 0.00 H new ATOM 0 HA GLN A 92 -17.726 -1.776 7.238 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -18.088 -4.592 6.140 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -19.396 -3.453 6.386 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -17.015 -2.979 4.558 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -18.581 -3.561 4.027 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -19.863 -2.054 3.167 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -19.877 -0.343 3.608 1.00 0.00 H new ATOM 1415 N PHE A 93 -17.694 -4.660 8.868 1.00 0.00 N ATOM 1416 CA PHE A 93 -18.059 -5.293 10.130 1.00 0.00 C ATOM 1417 C PHE A 93 -16.873 -5.314 11.091 1.00 0.00 C ATOM 1418 O PHE A 93 -16.897 -4.668 12.138 1.00 0.00 O ATOM 1419 CB PHE A 93 -18.556 -6.720 9.885 1.00 0.00 C ATOM 1420 CG PHE A 93 -19.529 -6.828 8.746 1.00 0.00 C ATOM 1421 CD1 PHE A 93 -19.078 -6.950 7.442 1.00 0.00 C ATOM 1422 CD2 PHE A 93 -20.895 -6.806 8.980 1.00 0.00 C ATOM 1423 CE1 PHE A 93 -19.971 -7.050 6.391 1.00 0.00 C ATOM 1424 CE2 PHE A 93 -21.792 -6.906 7.933 1.00 0.00 C ATOM 1425 CZ PHE A 93 -21.330 -7.027 6.638 1.00 0.00 C ATOM 0 H PHE A 93 -17.221 -5.277 8.208 1.00 0.00 H new ATOM 0 HA PHE A 93 -18.861 -4.709 10.582 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -17.700 -7.365 9.684 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -19.029 -7.092 10.793 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -18.016 -6.967 7.244 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -21.262 -6.710 9.991 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -19.607 -7.146 5.379 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -22.854 -6.889 8.128 1.00 0.00 H new ATOM 0 HZ PHE A 93 -22.030 -7.104 5.819 1.00 0.00 H new ATOM 1435 N GLY A 94 -15.837 -6.062 10.726 1.00 0.00 N ATOM 1436 CA GLY A 94 -14.657 -6.155 11.566 1.00 0.00 C ATOM 1437 C GLY A 94 -13.902 -7.454 11.365 1.00 0.00 C ATOM 1438 O GLY A 94 -14.509 -8.513 11.206 1.00 0.00 O ATOM 0 H GLY A 94 -15.793 -6.605 9.864 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.995 -5.317 11.351 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.952 -6.068 12.612 1.00 0.00 H new ATOM 1442 N GLU A 95 -12.575 -7.374 11.371 1.00 0.00 N ATOM 1443 CA GLU A 95 -11.739 -8.553 11.185 1.00 0.00 C ATOM 1444 C GLU A 95 -12.219 -9.705 12.063 1.00 0.00 C ATOM 1445 O GLU A 95 -12.380 -10.831 11.594 1.00 0.00 O ATOM 1446 CB GLU A 95 -10.279 -8.226 11.509 1.00 0.00 C ATOM 1447 CG GLU A 95 -10.086 -7.592 12.875 1.00 0.00 C ATOM 1448 CD GLU A 95 -8.897 -6.652 12.919 1.00 0.00 C ATOM 1449 OE1 GLU A 95 -8.027 -6.754 12.028 1.00 0.00 O ATOM 1450 OE2 GLU A 95 -8.835 -5.815 13.844 1.00 0.00 O ATOM 0 H GLU A 95 -12.057 -6.505 11.503 1.00 0.00 H new ATOM 0 HA GLU A 95 -11.814 -8.858 10.141 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -9.690 -9.142 11.456 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -9.889 -7.552 10.747 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -10.988 -7.044 13.148 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.952 -8.376 13.620 1.00 0.00 H new ATOM 1457 N GLU A 96 -12.447 -9.413 13.340 1.00 0.00 N ATOM 1458 CA GLU A 96 -12.908 -10.425 14.284 1.00 0.00 C ATOM 1459 C GLU A 96 -14.165 -11.118 13.767 1.00 0.00 C ATOM 1460 O GLU A 96 -14.303 -12.336 13.873 1.00 0.00 O ATOM 1461 CB GLU A 96 -13.186 -9.792 15.649 1.00 0.00 C ATOM 1462 CG GLU A 96 -14.259 -8.717 15.614 1.00 0.00 C ATOM 1463 CD GLU A 96 -14.472 -8.061 16.965 1.00 0.00 C ATOM 1464 OE1 GLU A 96 -14.613 -8.796 17.965 1.00 0.00 O ATOM 1465 OE2 GLU A 96 -14.497 -6.814 17.021 1.00 0.00 O ATOM 0 H GLU A 96 -12.320 -8.485 13.744 1.00 0.00 H new ATOM 0 HA GLU A 96 -12.121 -11.171 14.391 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -13.488 -10.573 16.347 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -12.263 -9.360 16.034 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -13.982 -7.956 14.884 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -15.197 -9.156 15.276 1.00 0.00 H new ATOM 1472 N ASN A 97 -15.079 -10.333 13.207 1.00 0.00 N ATOM 1473 CA ASN A 97 -16.326 -10.870 12.675 1.00 0.00 C ATOM 1474 C ASN A 97 -16.068 -11.706 11.425 1.00 0.00 C ATOM 1475 O ASN A 97 -16.713 -12.731 11.206 1.00 0.00 O ATOM 1476 CB ASN A 97 -17.299 -9.734 12.351 1.00 0.00 C ATOM 1477 CG ASN A 97 -17.677 -8.929 13.580 1.00 0.00 C ATOM 1478 OD1 ASN A 97 -18.238 -9.463 14.536 1.00 0.00 O ATOM 1479 ND2 ASN A 97 -17.371 -7.637 13.557 1.00 0.00 N ATOM 0 H ASN A 97 -14.980 -9.323 13.110 1.00 0.00 H new ATOM 0 HA ASN A 97 -16.770 -11.512 13.436 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -16.848 -9.073 11.611 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -18.201 -10.149 11.900 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -17.601 -7.044 14.354 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -16.905 -7.238 12.742 1.00 0.00 H new ATOM 1486 N VAL A 98 -15.120 -11.259 10.607 1.00 0.00 N ATOM 1487 CA VAL A 98 -14.775 -11.966 9.379 1.00 0.00 C ATOM 1488 C VAL A 98 -14.365 -13.405 9.670 1.00 0.00 C ATOM 1489 O VAL A 98 -14.665 -14.315 8.898 1.00 0.00 O ATOM 1490 CB VAL A 98 -13.631 -11.260 8.628 1.00 0.00 C ATOM 1491 CG1 VAL A 98 -13.295 -12.005 7.344 1.00 0.00 C ATOM 1492 CG2 VAL A 98 -14.000 -9.814 8.333 1.00 0.00 C ATOM 0 H VAL A 98 -14.578 -10.411 10.772 1.00 0.00 H new ATOM 0 HA VAL A 98 -15.667 -11.965 8.752 1.00 0.00 H new ATOM 0 HB VAL A 98 -12.746 -11.263 9.264 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -12.485 -11.491 6.827 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -12.985 -13.022 7.584 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -14.174 -12.036 6.700 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -13.180 -9.330 7.802 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -14.898 -9.786 7.716 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -14.186 -9.288 9.269 1.00 0.00 H new ATOM 1502 N ASN A 99 -13.678 -13.604 10.790 1.00 0.00 N ATOM 1503 CA ASN A 99 -13.226 -14.934 11.184 1.00 0.00 C ATOM 1504 C ASN A 99 -14.400 -15.905 11.264 1.00 0.00 C ATOM 1505 O ASN A 99 -14.365 -16.989 10.681 1.00 0.00 O ATOM 1506 CB ASN A 99 -12.507 -14.872 12.533 1.00 0.00 C ATOM 1507 CG ASN A 99 -11.206 -14.096 12.460 1.00 0.00 C ATOM 1508 OD1 ASN A 99 -11.190 -12.924 12.084 1.00 0.00 O ATOM 1509 ND2 ASN A 99 -10.107 -14.749 12.819 1.00 0.00 N ATOM 0 H ASN A 99 -13.422 -12.862 11.441 1.00 0.00 H new ATOM 0 HA ASN A 99 -12.530 -15.294 10.426 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -13.163 -14.408 13.270 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -12.304 -15.885 12.880 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -9.202 -14.279 12.790 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -10.168 -15.720 13.124 1.00 0.00 H new ATOM 1516 N THR A 100 -15.440 -15.509 11.991 1.00 0.00 N ATOM 1517 CA THR A 100 -16.625 -16.344 12.149 1.00 0.00 C ATOM 1518 C THR A 100 -17.458 -16.363 10.872 1.00 0.00 C ATOM 1519 O THR A 100 -18.231 -17.293 10.638 1.00 0.00 O ATOM 1520 CB THR A 100 -17.505 -15.856 13.315 1.00 0.00 C ATOM 1521 OG1 THR A 100 -18.661 -16.691 13.439 1.00 0.00 O ATOM 1522 CG2 THR A 100 -17.935 -14.413 13.101 1.00 0.00 C ATOM 0 H THR A 100 -15.486 -14.615 12.480 1.00 0.00 H new ATOM 0 HA THR A 100 -16.274 -17.353 12.366 1.00 0.00 H new ATOM 0 HB THR A 100 -16.918 -15.911 14.232 1.00 0.00 H new ATOM 0 HG1 THR A 100 -19.214 -16.375 14.183 1.00 0.00 H new ATOM 0 HG21 THR A 100 -18.555 -14.090 13.937 1.00 0.00 H new ATOM 0 HG22 THR A 100 -17.053 -13.776 13.037 1.00 0.00 H new ATOM 0 HG23 THR A 100 -18.505 -14.337 12.175 1.00 0.00 H new ATOM 1530 N TYR A 101 -17.295 -15.333 10.050 1.00 0.00 N ATOM 1531 CA TYR A 101 -18.034 -15.232 8.797 1.00 0.00 C ATOM 1532 C TYR A 101 -17.631 -16.346 7.835 1.00 0.00 C ATOM 1533 O TYR A 101 -18.482 -16.987 7.218 1.00 0.00 O ATOM 1534 CB TYR A 101 -17.791 -13.869 8.146 1.00 0.00 C ATOM 1535 CG TYR A 101 -18.134 -13.831 6.674 1.00 0.00 C ATOM 1536 CD1 TYR A 101 -19.406 -14.168 6.228 1.00 0.00 C ATOM 1537 CD2 TYR A 101 -17.187 -13.457 5.729 1.00 0.00 C ATOM 1538 CE1 TYR A 101 -19.724 -14.135 4.884 1.00 0.00 C ATOM 1539 CE2 TYR A 101 -17.496 -13.420 4.383 1.00 0.00 C ATOM 1540 CZ TYR A 101 -18.766 -13.760 3.966 1.00 0.00 C ATOM 1541 OH TYR A 101 -19.078 -13.725 2.626 1.00 0.00 O ATOM 0 H TYR A 101 -16.658 -14.556 10.228 1.00 0.00 H new ATOM 0 HA TYR A 101 -19.095 -15.337 9.021 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -18.382 -13.116 8.668 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -16.743 -13.597 8.273 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -20.159 -14.461 6.944 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -16.192 -13.190 6.052 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -20.717 -14.401 4.554 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -16.748 -13.127 3.662 1.00 0.00 H new ATOM 0 HH TYR A 101 -18.292 -13.439 2.115 1.00 0.00 H new ATOM 1551 N PHE A 102 -16.327 -16.571 7.714 1.00 0.00 N ATOM 1552 CA PHE A 102 -15.810 -17.607 6.828 1.00 0.00 C ATOM 1553 C PHE A 102 -16.246 -18.992 7.296 1.00 0.00 C ATOM 1554 O PHE A 102 -16.820 -19.767 6.531 1.00 0.00 O ATOM 1555 CB PHE A 102 -14.283 -17.537 6.763 1.00 0.00 C ATOM 1556 CG PHE A 102 -13.771 -16.499 5.804 1.00 0.00 C ATOM 1557 CD1 PHE A 102 -14.137 -15.170 5.940 1.00 0.00 C ATOM 1558 CD2 PHE A 102 -12.923 -16.854 4.767 1.00 0.00 C ATOM 1559 CE1 PHE A 102 -13.668 -14.213 5.060 1.00 0.00 C ATOM 1560 CE2 PHE A 102 -12.450 -15.902 3.884 1.00 0.00 C ATOM 1561 CZ PHE A 102 -12.824 -14.580 4.030 1.00 0.00 C ATOM 0 H PHE A 102 -15.609 -16.050 8.218 1.00 0.00 H new ATOM 0 HA PHE A 102 -16.218 -17.434 5.832 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -13.894 -17.324 7.759 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -13.894 -18.513 6.471 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -14.797 -14.878 6.744 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -12.629 -17.886 4.648 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -13.961 -13.180 5.177 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -11.789 -16.191 3.081 1.00 0.00 H new ATOM 0 HZ PHE A 102 -12.457 -13.835 3.340 1.00 0.00 H new ATOM 1571 N VAL A 103 -15.970 -19.297 8.560 1.00 0.00 N ATOM 1572 CA VAL A 103 -16.334 -20.587 9.133 1.00 0.00 C ATOM 1573 C VAL A 103 -17.848 -20.749 9.205 1.00 0.00 C ATOM 1574 O VAL A 103 -18.514 -20.101 10.011 1.00 0.00 O ATOM 1575 CB VAL A 103 -15.742 -20.762 10.544 1.00 0.00 C ATOM 1576 CG1 VAL A 103 -14.244 -21.016 10.468 1.00 0.00 C ATOM 1577 CG2 VAL A 103 -16.042 -19.542 11.402 1.00 0.00 C ATOM 0 H VAL A 103 -15.495 -18.668 9.207 1.00 0.00 H new ATOM 0 HA VAL A 103 -15.921 -21.353 8.476 1.00 0.00 H new ATOM 0 HB VAL A 103 -16.209 -21.630 11.010 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -13.844 -21.137 11.475 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -14.057 -21.922 9.892 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -13.756 -20.171 9.983 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -15.617 -19.682 12.396 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -15.604 -18.657 10.941 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -17.121 -19.412 11.484 1.00 0.00 H new ATOM 1587 N SER A 104 -18.385 -21.619 8.356 1.00 0.00 N ATOM 1588 CA SER A 104 -19.822 -21.865 8.321 1.00 0.00 C ATOM 1589 C SER A 104 -20.116 -23.341 8.072 1.00 0.00 C ATOM 1590 O SER A 104 -19.266 -24.079 7.574 1.00 0.00 O ATOM 1591 CB SER A 104 -20.480 -21.013 7.233 1.00 0.00 C ATOM 1592 OG SER A 104 -20.169 -21.506 5.941 1.00 0.00 O ATOM 0 H SER A 104 -17.847 -22.165 7.683 1.00 0.00 H new ATOM 0 HA SER A 104 -20.236 -21.589 9.291 1.00 0.00 H new ATOM 0 HB2 SER A 104 -21.561 -21.009 7.374 1.00 0.00 H new ATOM 0 HB3 SER A 104 -20.143 -19.980 7.322 1.00 0.00 H new ATOM 0 HG SER A 104 -20.603 -20.946 5.264 1.00 0.00 H new ATOM 1598 N GLY A 105 -21.326 -23.765 8.424 1.00 0.00 N ATOM 1599 CA GLY A 105 -21.711 -25.151 8.233 1.00 0.00 C ATOM 1600 C GLY A 105 -22.883 -25.553 9.105 1.00 0.00 C ATOM 1601 O GLY A 105 -23.613 -24.711 9.628 1.00 0.00 O ATOM 0 H GLY A 105 -22.046 -23.173 8.838 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -21.969 -25.312 7.186 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -20.860 -25.795 8.454 1.00 0.00 H new ATOM 1605 N PRO A 106 -23.078 -26.870 9.272 1.00 0.00 N ATOM 1606 CA PRO A 106 -24.170 -27.412 10.086 1.00 0.00 C ATOM 1607 C PRO A 106 -23.966 -27.154 11.575 1.00 0.00 C ATOM 1608 O PRO A 106 -24.812 -27.506 12.397 1.00 0.00 O ATOM 1609 CB PRO A 106 -24.121 -28.913 9.791 1.00 0.00 C ATOM 1610 CG PRO A 106 -22.711 -29.174 9.387 1.00 0.00 C ATOM 1611 CD PRO A 106 -22.247 -27.931 8.679 1.00 0.00 C ATOM 0 HA PRO A 106 -25.127 -26.948 9.846 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -24.396 -29.498 10.669 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -24.817 -29.183 8.997 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -22.088 -29.383 10.257 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -22.647 -30.043 8.732 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -21.185 -27.748 8.843 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -22.396 -28.003 7.602 1.00 0.00 H new ATOM 1619 N SER A 107 -22.839 -26.538 11.915 1.00 0.00 N ATOM 1620 CA SER A 107 -22.522 -26.237 13.306 1.00 0.00 C ATOM 1621 C SER A 107 -23.613 -25.378 13.938 1.00 0.00 C ATOM 1622 O SER A 107 -24.224 -24.542 13.272 1.00 0.00 O ATOM 1623 CB SER A 107 -21.174 -25.519 13.401 1.00 0.00 C ATOM 1624 OG SER A 107 -20.105 -26.403 13.112 1.00 0.00 O ATOM 0 H SER A 107 -22.130 -26.237 11.246 1.00 0.00 H new ATOM 0 HA SER A 107 -22.463 -27.179 13.851 1.00 0.00 H new ATOM 0 HB2 SER A 107 -21.155 -24.680 12.705 1.00 0.00 H new ATOM 0 HB3 SER A 107 -21.048 -25.106 14.402 1.00 0.00 H new ATOM 0 HG SER A 107 -19.255 -25.920 13.178 1.00 0.00 H new ATOM 1630 N SER A 108 -23.853 -25.590 15.228 1.00 0.00 N ATOM 1631 CA SER A 108 -24.873 -24.839 15.950 1.00 0.00 C ATOM 1632 C SER A 108 -24.638 -23.338 15.816 1.00 0.00 C ATOM 1633 O SER A 108 -23.503 -22.867 15.876 1.00 0.00 O ATOM 1634 CB SER A 108 -24.879 -25.236 17.427 1.00 0.00 C ATOM 1635 OG SER A 108 -26.152 -25.019 18.009 1.00 0.00 O ATOM 0 H SER A 108 -23.355 -26.276 15.795 1.00 0.00 H new ATOM 0 HA SER A 108 -25.843 -25.078 15.513 1.00 0.00 H new ATOM 0 HB2 SER A 108 -24.605 -26.286 17.525 1.00 0.00 H new ATOM 0 HB3 SER A 108 -24.127 -24.659 17.965 1.00 0.00 H new ATOM 0 HG SER A 108 -26.129 -25.282 18.953 1.00 0.00 H new ATOM 1641 N GLY A 109 -25.723 -22.589 15.634 1.00 0.00 N ATOM 1642 CA GLY A 109 -25.615 -21.149 15.494 1.00 0.00 C ATOM 1643 C GLY A 109 -26.506 -20.404 16.468 1.00 0.00 C ATOM 1644 O GLY A 109 -27.732 -20.468 16.371 1.00 0.00 O ATOM 0 H GLY A 109 -26.674 -22.955 15.581 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -24.579 -20.848 15.651 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -25.878 -20.865 14.475 1.00 0.00 H new TER 1648 GLY A 109