USER MOD reduce.3.24.130724 H: found=0, std=0, add=935, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 933 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 47 CYS SG : rot -142:sc= -0.232 USER MOD Set 1.2: A 49 HIS : no HE2:sc= -3.53! C(o=-5.5!,f=-12!) USER MOD Set 1.3: A 50 CYS SG : rot 180:sc= -1.75 USER MOD Set 2.1: A 28 ASN : amide:sc= -3.28 K(o=-4.4,f=-5.6!) USER MOD Set 2.2: A 33 GLN :FLIP amide:sc= -1.1 F(o=-6.4,f=-4.4) USER MOD Set 3.1: A 23 THR OG1 : rot -87:sc= 1.09 USER MOD Set 3.2: A 26 ASN : amide:sc= -0.0928 K(o=1,f=-1.1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 62:sc= 0.311 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= -0.113 USER MOD Single : A 13 TYR OH : rot 90:sc= -1.13 USER MOD Single : A 14 SER OG : rot 32:sc= 0.745 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= -0.0011 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -177:sc= 1.02 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -2.55! X(o=-2.5!,f=-2.7) USER MOD Single : A 54 THR OG1 : rot 88:sc= 1.27 USER MOD Single : A 58 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 62 THR OG1 : rot -69:sc= 0.831 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -7.07! C(o=-7.1!,f=-16!) USER MOD Single : A 77 LYS NZ :NH3+ -126:sc= -0.668 (180deg=-0.805) USER MOD Single : A 78 HIS :FLIP no HD1:sc= -5.68! C(o=-6.8!,f=-5.7!) USER MOD Single : A 79 GLN : amide:sc= -0.0359 K(o=-0.036,f=-1.4) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 74:sc= 1.16 USER MOD Single : A 88 GLN : amide:sc=-0.00146 X(o=-0.0015,f=0) USER MOD Single : A 92 THR OG1 : rot 10:sc= -0.427 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN :FLIP amide:sc= -2.04 F(o=-6.2!,f=-2) USER MOD Single : A 100 LYS NZ :NH3+ -154:sc= 0.935 (180deg=0.613) USER MOD Single : A 101 ASN : amide:sc=-0.00608 X(o=-0.0061,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot -14:sc= 0.23 USER MOD Single : A 107 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.29) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.0614 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot -43:sc= -0.182 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.596 3.099 -28.687 1.00 0.00 N ATOM 2 CA GLY A 1 -15.103 2.218 -27.644 1.00 0.00 C ATOM 3 C GLY A 1 -14.818 2.954 -26.350 1.00 0.00 C ATOM 4 O GLY A 1 -14.235 4.038 -26.360 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.776 2.548 -29.551 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.480 3.548 -28.373 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.886 3.833 -28.886 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.837 1.434 -27.458 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.192 1.727 -27.988 1.00 0.00 H new ATOM 8 N SER A 2 -15.231 2.365 -25.232 1.00 0.00 N ATOM 9 CA SER A 2 -15.022 2.974 -23.924 1.00 0.00 C ATOM 10 C SER A 2 -13.670 2.569 -23.346 1.00 0.00 C ATOM 11 O SER A 2 -13.584 2.087 -22.217 1.00 0.00 O ATOM 12 CB SER A 2 -16.142 2.569 -22.964 1.00 0.00 C ATOM 13 OG SER A 2 -16.118 1.174 -22.712 1.00 0.00 O ATOM 0 H SER A 2 -15.713 1.466 -25.206 1.00 0.00 H new ATOM 0 HA SER A 2 -15.035 4.057 -24.049 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.035 3.113 -22.026 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.107 2.849 -23.387 1.00 0.00 H new ATOM 0 HG SER A 2 -15.270 0.933 -22.284 1.00 0.00 H new ATOM 19 N SER A 3 -12.615 2.768 -24.130 1.00 0.00 N ATOM 20 CA SER A 3 -11.266 2.420 -23.699 1.00 0.00 C ATOM 21 C SER A 3 -10.969 3.002 -22.320 1.00 0.00 C ATOM 22 O SER A 3 -10.157 2.465 -21.569 1.00 0.00 O ATOM 23 CB SER A 3 -10.237 2.928 -24.711 1.00 0.00 C ATOM 24 OG SER A 3 -10.468 4.288 -25.034 1.00 0.00 O ATOM 0 H SER A 3 -12.668 3.168 -25.067 1.00 0.00 H new ATOM 0 HA SER A 3 -11.200 1.334 -23.638 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.233 2.814 -24.302 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.283 2.323 -25.616 1.00 0.00 H new ATOM 0 HG SER A 3 -9.796 4.589 -25.681 1.00 0.00 H new ATOM 30 N GLY A 4 -11.636 4.105 -21.994 1.00 0.00 N ATOM 31 CA GLY A 4 -11.431 4.743 -20.707 1.00 0.00 C ATOM 32 C GLY A 4 -11.029 6.199 -20.838 1.00 0.00 C ATOM 33 O GLY A 4 -11.648 6.955 -21.586 1.00 0.00 O ATOM 0 H GLY A 4 -12.315 4.568 -22.598 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.347 4.674 -20.121 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.659 4.204 -20.157 1.00 0.00 H new ATOM 37 N SER A 5 -9.991 6.593 -20.108 1.00 0.00 N ATOM 38 CA SER A 5 -9.511 7.969 -20.142 1.00 0.00 C ATOM 39 C SER A 5 -8.005 8.013 -20.383 1.00 0.00 C ATOM 40 O SER A 5 -7.262 7.161 -19.896 1.00 0.00 O ATOM 41 CB SER A 5 -9.851 8.683 -18.832 1.00 0.00 C ATOM 42 OG SER A 5 -9.656 10.082 -18.948 1.00 0.00 O ATOM 0 H SER A 5 -9.466 5.979 -19.486 1.00 0.00 H new ATOM 0 HA SER A 5 -10.008 8.481 -20.966 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.887 8.478 -18.561 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.228 8.291 -18.028 1.00 0.00 H new ATOM 0 HG SER A 5 -9.882 10.515 -18.098 1.00 0.00 H new ATOM 48 N SER A 6 -7.561 9.014 -21.137 1.00 0.00 N ATOM 49 CA SER A 6 -6.145 9.168 -21.447 1.00 0.00 C ATOM 50 C SER A 6 -5.638 10.536 -21.001 1.00 0.00 C ATOM 51 O SER A 6 -6.178 11.569 -21.394 1.00 0.00 O ATOM 52 CB SER A 6 -5.906 8.987 -22.947 1.00 0.00 C ATOM 53 OG SER A 6 -5.996 7.622 -23.316 1.00 0.00 O ATOM 0 H SER A 6 -8.162 9.730 -21.544 1.00 0.00 H new ATOM 0 HA SER A 6 -5.594 8.400 -20.904 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.638 9.568 -23.508 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.922 9.374 -23.211 1.00 0.00 H new ATOM 0 HG SER A 6 -5.841 7.533 -24.280 1.00 0.00 H new ATOM 59 N GLY A 7 -4.594 10.534 -20.177 1.00 0.00 N ATOM 60 CA GLY A 7 -4.030 11.780 -19.690 1.00 0.00 C ATOM 61 C GLY A 7 -4.484 12.111 -18.282 1.00 0.00 C ATOM 62 O GLY A 7 -4.892 13.238 -18.003 1.00 0.00 O ATOM 0 H GLY A 7 -4.129 9.692 -19.838 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.942 11.716 -19.712 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.315 12.591 -20.360 1.00 0.00 H new ATOM 66 N ALA A 8 -4.416 11.125 -17.393 1.00 0.00 N ATOM 67 CA ALA A 8 -4.823 11.318 -16.007 1.00 0.00 C ATOM 68 C ALA A 8 -3.752 10.814 -15.046 1.00 0.00 C ATOM 69 O ALA A 8 -3.109 9.795 -15.295 1.00 0.00 O ATOM 70 CB ALA A 8 -6.146 10.613 -15.742 1.00 0.00 C ATOM 0 H ALA A 8 -4.083 10.185 -17.608 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.953 12.387 -15.838 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.438 10.766 -14.703 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.914 11.022 -16.398 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.035 9.546 -15.935 1.00 0.00 H new ATOM 76 N VAL A 9 -3.564 11.536 -13.945 1.00 0.00 N ATOM 77 CA VAL A 9 -2.571 11.162 -12.946 1.00 0.00 C ATOM 78 C VAL A 9 -3.211 10.986 -11.573 1.00 0.00 C ATOM 79 O VAL A 9 -4.327 11.447 -11.334 1.00 0.00 O ATOM 80 CB VAL A 9 -1.452 12.216 -12.846 1.00 0.00 C ATOM 81 CG1 VAL A 9 -0.757 12.386 -14.188 1.00 0.00 C ATOM 82 CG2 VAL A 9 -2.011 13.542 -12.353 1.00 0.00 C ATOM 0 H VAL A 9 -4.087 12.383 -13.723 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.141 10.214 -13.267 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.713 11.869 -12.123 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.030 13.134 -14.098 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.321 11.435 -14.495 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.482 12.710 -14.935 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.206 14.275 -12.288 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.771 13.898 -13.049 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.457 13.405 -11.368 1.00 0.00 H new ATOM 92 N SER A 10 -2.497 10.315 -10.675 1.00 0.00 N ATOM 93 CA SER A 10 -2.997 10.075 -9.326 1.00 0.00 C ATOM 94 C SER A 10 -2.611 11.217 -8.392 1.00 0.00 C ATOM 95 O SER A 10 -3.453 11.763 -7.680 1.00 0.00 O ATOM 96 CB SER A 10 -2.451 8.752 -8.786 1.00 0.00 C ATOM 97 OG SER A 10 -1.035 8.771 -8.727 1.00 0.00 O ATOM 0 H SER A 10 -1.571 9.928 -10.857 1.00 0.00 H new ATOM 0 HA SER A 10 -4.085 10.020 -9.372 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.857 8.566 -7.792 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.781 7.932 -9.423 1.00 0.00 H new ATOM 0 HG SER A 10 -0.711 7.915 -8.377 1.00 0.00 H new ATOM 103 N GLY A 11 -1.330 11.573 -8.400 1.00 0.00 N ATOM 104 CA GLY A 11 -0.853 12.648 -7.549 1.00 0.00 C ATOM 105 C GLY A 11 0.659 12.750 -7.536 1.00 0.00 C ATOM 106 O GLY A 11 1.261 13.288 -8.466 1.00 0.00 O ATOM 0 H GLY A 11 -0.614 11.136 -8.981 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -1.275 13.593 -7.892 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.212 12.489 -6.532 1.00 0.00 H new ATOM 110 N LEU A 12 1.275 12.233 -6.479 1.00 0.00 N ATOM 111 CA LEU A 12 2.728 12.269 -6.346 1.00 0.00 C ATOM 112 C LEU A 12 3.388 11.312 -7.334 1.00 0.00 C ATOM 113 O LEU A 12 4.340 11.676 -8.024 1.00 0.00 O ATOM 114 CB LEU A 12 3.138 11.909 -4.917 1.00 0.00 C ATOM 115 CG LEU A 12 2.534 12.771 -3.808 1.00 0.00 C ATOM 116 CD1 LEU A 12 2.910 12.221 -2.441 1.00 0.00 C ATOM 117 CD2 LEU A 12 2.989 14.216 -3.948 1.00 0.00 C ATOM 0 H LEU A 12 0.792 11.784 -5.701 1.00 0.00 H new ATOM 0 HA LEU A 12 3.064 13.281 -6.569 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.864 10.870 -4.732 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.224 11.969 -4.846 1.00 0.00 H new ATOM 0 HG LEU A 12 1.448 12.743 -3.902 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.472 12.847 -1.664 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.533 11.203 -2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.995 12.218 -2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.549 14.815 -3.150 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.076 14.263 -3.880 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.668 14.607 -4.914 1.00 0.00 H new ATOM 129 N TYR A 13 2.875 10.088 -7.397 1.00 0.00 N ATOM 130 CA TYR A 13 3.415 9.079 -8.300 1.00 0.00 C ATOM 131 C TYR A 13 2.842 9.241 -9.704 1.00 0.00 C ATOM 132 O TYR A 13 1.975 10.082 -9.939 1.00 0.00 O ATOM 133 CB TYR A 13 3.110 7.676 -7.771 1.00 0.00 C ATOM 134 CG TYR A 13 3.694 7.404 -6.403 1.00 0.00 C ATOM 135 CD1 TYR A 13 3.118 7.944 -5.260 1.00 0.00 C ATOM 136 CD2 TYR A 13 4.822 6.606 -6.254 1.00 0.00 C ATOM 137 CE1 TYR A 13 3.649 7.699 -4.008 1.00 0.00 C ATOM 138 CE2 TYR A 13 5.359 6.355 -5.006 1.00 0.00 C ATOM 139 CZ TYR A 13 4.769 6.904 -3.886 1.00 0.00 C ATOM 140 OH TYR A 13 5.300 6.656 -2.641 1.00 0.00 O ATOM 0 H TYR A 13 2.086 9.771 -6.833 1.00 0.00 H new ATOM 0 HA TYR A 13 4.495 9.214 -8.351 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.029 7.540 -7.729 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.497 6.939 -8.475 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.240 8.566 -5.351 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.287 6.175 -7.128 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.189 8.128 -3.130 1.00 0.00 H new ATOM 0 HE2 TYR A 13 6.236 5.732 -4.908 1.00 0.00 H new ATOM 0 HH TYR A 13 4.887 5.851 -2.264 1.00 0.00 H new ATOM 150 N SER A 14 3.333 8.428 -10.634 1.00 0.00 N ATOM 151 CA SER A 14 2.872 8.482 -12.017 1.00 0.00 C ATOM 152 C SER A 14 3.178 7.175 -12.742 1.00 0.00 C ATOM 153 O SER A 14 4.274 6.627 -12.622 1.00 0.00 O ATOM 154 CB SER A 14 3.530 9.652 -12.750 1.00 0.00 C ATOM 155 OG SER A 14 2.811 10.855 -12.541 1.00 0.00 O ATOM 0 H SER A 14 4.050 7.724 -10.455 1.00 0.00 H new ATOM 0 HA SER A 14 1.792 8.629 -12.010 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.556 9.773 -12.402 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.579 9.435 -13.817 1.00 0.00 H new ATOM 0 HG SER A 14 2.396 10.838 -11.653 1.00 0.00 H new ATOM 161 N SER A 15 2.201 6.682 -13.496 1.00 0.00 N ATOM 162 CA SER A 15 2.363 5.438 -14.239 1.00 0.00 C ATOM 163 C SER A 15 3.791 5.296 -14.758 1.00 0.00 C ATOM 164 O SER A 15 4.333 4.193 -14.823 1.00 0.00 O ATOM 165 CB SER A 15 1.376 5.384 -15.407 1.00 0.00 C ATOM 166 OG SER A 15 0.153 4.785 -15.015 1.00 0.00 O ATOM 0 H SER A 15 1.289 7.125 -13.609 1.00 0.00 H new ATOM 0 HA SER A 15 2.158 4.610 -13.561 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.189 6.393 -15.776 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.813 4.820 -16.231 1.00 0.00 H new ATOM 0 HG SER A 15 -0.461 4.764 -15.779 1.00 0.00 H new ATOM 172 N SER A 16 4.394 6.422 -15.126 1.00 0.00 N ATOM 173 CA SER A 16 5.757 6.425 -15.643 1.00 0.00 C ATOM 174 C SER A 16 6.655 5.511 -14.813 1.00 0.00 C ATOM 175 O SER A 16 7.353 4.652 -15.353 1.00 0.00 O ATOM 176 CB SER A 16 6.322 7.847 -15.645 1.00 0.00 C ATOM 177 OG SER A 16 6.159 8.462 -14.378 1.00 0.00 O ATOM 0 H SER A 16 3.960 7.344 -15.076 1.00 0.00 H new ATOM 0 HA SER A 16 5.731 6.050 -16.666 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.380 7.821 -15.907 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.819 8.441 -16.408 1.00 0.00 H new ATOM 0 HG SER A 16 6.529 9.369 -14.405 1.00 0.00 H new ATOM 183 N ASP A 17 6.630 5.702 -13.499 1.00 0.00 N ATOM 184 CA ASP A 17 7.440 4.895 -12.594 1.00 0.00 C ATOM 185 C ASP A 17 6.999 3.435 -12.626 1.00 0.00 C ATOM 186 O ASP A 17 6.146 3.052 -13.426 1.00 0.00 O ATOM 187 CB ASP A 17 7.343 5.439 -11.167 1.00 0.00 C ATOM 188 CG ASP A 17 8.603 5.185 -10.364 1.00 0.00 C ATOM 189 OD1 ASP A 17 9.567 5.966 -10.510 1.00 0.00 O ATOM 190 OD2 ASP A 17 8.626 4.206 -9.589 1.00 0.00 O ATOM 0 H ASP A 17 6.058 6.408 -13.037 1.00 0.00 H new ATOM 0 HA ASP A 17 8.477 4.950 -12.926 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.148 6.511 -11.202 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.495 4.977 -10.662 1.00 0.00 H new ATOM 195 N ASP A 18 7.587 2.626 -11.752 1.00 0.00 N ATOM 196 CA ASP A 18 7.256 1.207 -11.680 1.00 0.00 C ATOM 197 C ASP A 18 6.041 0.978 -10.786 1.00 0.00 C ATOM 198 O ASP A 18 5.460 -0.107 -10.778 1.00 0.00 O ATOM 199 CB ASP A 18 8.450 0.409 -11.155 1.00 0.00 C ATOM 200 CG ASP A 18 9.681 0.569 -12.024 1.00 0.00 C ATOM 201 OD1 ASP A 18 10.274 1.668 -12.016 1.00 0.00 O ATOM 202 OD2 ASP A 18 10.051 -0.404 -12.714 1.00 0.00 O ATOM 0 H ASP A 18 8.295 2.928 -11.083 1.00 0.00 H new ATOM 0 HA ASP A 18 7.014 0.863 -12.686 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.681 0.732 -10.140 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.182 -0.646 -11.100 1.00 0.00 H new ATOM 207 N VAL A 19 5.664 2.007 -10.034 1.00 0.00 N ATOM 208 CA VAL A 19 4.518 1.917 -9.136 1.00 0.00 C ATOM 209 C VAL A 19 3.212 1.846 -9.918 1.00 0.00 C ATOM 210 O VAL A 19 2.951 2.677 -10.789 1.00 0.00 O ATOM 211 CB VAL A 19 4.464 3.120 -8.175 1.00 0.00 C ATOM 212 CG1 VAL A 19 3.237 3.033 -7.280 1.00 0.00 C ATOM 213 CG2 VAL A 19 5.736 3.195 -7.343 1.00 0.00 C ATOM 0 H VAL A 19 6.135 2.912 -10.028 1.00 0.00 H new ATOM 0 HA VAL A 19 4.640 1.002 -8.556 1.00 0.00 H new ATOM 0 HB VAL A 19 4.390 4.032 -8.767 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.215 3.891 -6.608 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.337 3.031 -7.895 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.278 2.114 -6.695 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.681 4.051 -6.670 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.844 2.281 -6.760 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.596 3.308 -8.003 1.00 0.00 H new ATOM 223 N ILE A 20 2.393 0.849 -9.601 1.00 0.00 N ATOM 224 CA ILE A 20 1.112 0.670 -10.273 1.00 0.00 C ATOM 225 C ILE A 20 0.031 1.537 -9.635 1.00 0.00 C ATOM 226 O ILE A 20 -0.214 1.454 -8.432 1.00 0.00 O ATOM 227 CB ILE A 20 0.659 -0.802 -10.240 1.00 0.00 C ATOM 228 CG1 ILE A 20 1.636 -1.675 -11.030 1.00 0.00 C ATOM 229 CG2 ILE A 20 -0.750 -0.935 -10.798 1.00 0.00 C ATOM 230 CD1 ILE A 20 1.417 -3.159 -10.831 1.00 0.00 C ATOM 0 H ILE A 20 2.594 0.153 -8.883 1.00 0.00 H new ATOM 0 HA ILE A 20 1.255 0.974 -11.310 1.00 0.00 H new ATOM 0 HB ILE A 20 0.652 -1.143 -9.205 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.544 -1.441 -12.091 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.655 -1.424 -10.736 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.056 -1.981 -10.768 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.437 -0.339 -10.198 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.768 -0.581 -11.829 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.145 -3.716 -11.421 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.538 -3.407 -9.776 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.410 -3.424 -11.152 1.00 0.00 H new ATOM 242 N GLU A 21 -0.613 2.366 -10.450 1.00 0.00 N ATOM 243 CA GLU A 21 -1.669 3.247 -9.965 1.00 0.00 C ATOM 244 C GLU A 21 -2.879 2.441 -9.500 1.00 0.00 C ATOM 245 O GLU A 21 -3.692 1.997 -10.311 1.00 0.00 O ATOM 246 CB GLU A 21 -2.087 4.230 -11.060 1.00 0.00 C ATOM 247 CG GLU A 21 -3.109 5.256 -10.599 1.00 0.00 C ATOM 248 CD GLU A 21 -3.941 5.804 -11.742 1.00 0.00 C ATOM 249 OE1 GLU A 21 -3.450 5.797 -12.890 1.00 0.00 O ATOM 250 OE2 GLU A 21 -5.083 6.241 -11.488 1.00 0.00 O ATOM 0 H GLU A 21 -0.422 2.446 -11.449 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.278 3.806 -9.115 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.202 4.750 -11.427 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.499 3.671 -11.900 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.768 4.800 -9.860 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.594 6.078 -10.102 1.00 0.00 H new ATOM 257 N LEU A 22 -2.991 2.256 -8.189 1.00 0.00 N ATOM 258 CA LEU A 22 -4.101 1.504 -7.615 1.00 0.00 C ATOM 259 C LEU A 22 -5.276 2.423 -7.297 1.00 0.00 C ATOM 260 O LEU A 22 -5.103 3.487 -6.701 1.00 0.00 O ATOM 261 CB LEU A 22 -3.649 0.779 -6.346 1.00 0.00 C ATOM 262 CG LEU A 22 -2.799 -0.475 -6.556 1.00 0.00 C ATOM 263 CD1 LEU A 22 -2.426 -1.097 -5.219 1.00 0.00 C ATOM 264 CD2 LEU A 22 -3.539 -1.481 -7.426 1.00 0.00 C ATOM 0 H LEU A 22 -2.327 2.616 -7.504 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.428 0.769 -8.350 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.082 1.480 -5.734 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.535 0.502 -5.775 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.881 -0.187 -7.068 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.821 -1.988 -5.388 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.856 -0.378 -4.630 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.333 -1.371 -4.680 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.919 -2.367 -7.565 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.473 -1.764 -6.941 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.755 -1.034 -8.396 1.00 0.00 H new ATOM 276 N THR A 23 -6.473 2.006 -7.698 1.00 0.00 N ATOM 277 CA THR A 23 -7.677 2.790 -7.455 1.00 0.00 C ATOM 278 C THR A 23 -8.805 1.916 -6.920 1.00 0.00 C ATOM 279 O THR A 23 -8.785 0.691 -7.044 1.00 0.00 O ATOM 280 CB THR A 23 -8.154 3.497 -8.738 1.00 0.00 C ATOM 281 OG1 THR A 23 -9.137 2.695 -9.402 1.00 0.00 O ATOM 282 CG2 THR A 23 -6.987 3.759 -9.678 1.00 0.00 C ATOM 0 H THR A 23 -6.634 1.129 -8.193 1.00 0.00 H new ATOM 0 HA THR A 23 -7.420 3.541 -6.708 1.00 0.00 H new ATOM 0 HB THR A 23 -8.595 4.453 -8.457 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.691 2.062 -10.003 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.349 4.259 -10.577 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.254 4.394 -9.180 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.521 2.813 -9.952 1.00 0.00 H new ATOM 290 N PRO A 24 -9.813 2.556 -6.311 1.00 0.00 N ATOM 291 CA PRO A 24 -10.970 1.855 -5.746 1.00 0.00 C ATOM 292 C PRO A 24 -11.870 1.259 -6.823 1.00 0.00 C ATOM 293 O PRO A 24 -13.029 0.934 -6.567 1.00 0.00 O ATOM 294 CB PRO A 24 -11.710 2.954 -4.979 1.00 0.00 C ATOM 295 CG PRO A 24 -11.315 4.221 -5.655 1.00 0.00 C ATOM 296 CD PRO A 24 -9.902 4.015 -6.128 1.00 0.00 C ATOM 0 HA PRO A 24 -10.671 1.010 -5.126 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.789 2.805 -5.017 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.426 2.962 -3.927 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -11.978 4.440 -6.492 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -11.378 5.065 -4.969 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.708 4.549 -7.058 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.177 4.373 -5.397 1.00 0.00 H new ATOM 304 N SER A 25 -11.328 1.118 -8.029 1.00 0.00 N ATOM 305 CA SER A 25 -12.083 0.564 -9.146 1.00 0.00 C ATOM 306 C SER A 25 -11.418 -0.703 -9.676 1.00 0.00 C ATOM 307 O SER A 25 -12.072 -1.558 -10.271 1.00 0.00 O ATOM 308 CB SER A 25 -12.207 1.596 -10.268 1.00 0.00 C ATOM 309 OG SER A 25 -13.360 2.402 -10.094 1.00 0.00 O ATOM 0 H SER A 25 -10.369 1.380 -8.257 1.00 0.00 H new ATOM 0 HA SER A 25 -13.080 0.308 -8.787 1.00 0.00 H new ATOM 0 HB2 SER A 25 -11.318 2.226 -10.286 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.257 1.087 -11.231 1.00 0.00 H new ATOM 0 HG SER A 25 -13.416 3.055 -10.823 1.00 0.00 H new ATOM 315 N ASN A 26 -10.112 -0.814 -9.457 1.00 0.00 N ATOM 316 CA ASN A 26 -9.356 -1.975 -9.913 1.00 0.00 C ATOM 317 C ASN A 26 -8.609 -2.627 -8.753 1.00 0.00 C ATOM 318 O ASN A 26 -8.141 -3.761 -8.862 1.00 0.00 O ATOM 319 CB ASN A 26 -8.367 -1.568 -11.007 1.00 0.00 C ATOM 320 CG ASN A 26 -7.874 -0.143 -10.840 1.00 0.00 C ATOM 321 OD1 ASN A 26 -8.542 0.808 -11.248 1.00 0.00 O ATOM 322 ND2 ASN A 26 -6.700 0.011 -10.239 1.00 0.00 N ATOM 0 H ASN A 26 -9.555 -0.114 -8.967 1.00 0.00 H new ATOM 0 HA ASN A 26 -10.061 -2.699 -10.321 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.515 -2.248 -10.994 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -8.844 -1.673 -11.981 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -6.317 0.946 -10.099 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -6.181 -0.806 -9.917 1.00 0.00 H new ATOM 329 N PHE A 27 -8.502 -1.904 -7.644 1.00 0.00 N ATOM 330 CA PHE A 27 -7.812 -2.412 -6.464 1.00 0.00 C ATOM 331 C PHE A 27 -8.080 -3.902 -6.276 1.00 0.00 C ATOM 332 O PHE A 27 -7.253 -4.628 -5.726 1.00 0.00 O ATOM 333 CB PHE A 27 -8.255 -1.642 -5.217 1.00 0.00 C ATOM 334 CG PHE A 27 -7.453 -1.975 -3.991 1.00 0.00 C ATOM 335 CD1 PHE A 27 -7.536 -3.231 -3.414 1.00 0.00 C ATOM 336 CD2 PHE A 27 -6.618 -1.031 -3.416 1.00 0.00 C ATOM 337 CE1 PHE A 27 -6.799 -3.541 -2.286 1.00 0.00 C ATOM 338 CE2 PHE A 27 -5.879 -1.335 -2.289 1.00 0.00 C ATOM 339 CZ PHE A 27 -5.971 -2.591 -1.722 1.00 0.00 C ATOM 0 H PHE A 27 -8.884 -0.964 -7.537 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.741 -2.269 -6.611 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.177 -0.573 -5.413 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.306 -1.855 -5.023 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.184 -3.977 -3.850 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.544 -0.046 -3.854 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.871 -4.525 -1.847 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.230 -0.591 -1.852 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.396 -2.830 -0.839 1.00 0.00 H new ATOM 349 N ASN A 28 -9.243 -4.351 -6.738 1.00 0.00 N ATOM 350 CA ASN A 28 -9.621 -5.754 -6.621 1.00 0.00 C ATOM 351 C ASN A 28 -9.090 -6.562 -7.801 1.00 0.00 C ATOM 352 O ASN A 28 -8.626 -7.690 -7.636 1.00 0.00 O ATOM 353 CB ASN A 28 -11.143 -5.889 -6.540 1.00 0.00 C ATOM 354 CG ASN A 28 -11.580 -7.281 -6.127 1.00 0.00 C ATOM 355 OD1 ASN A 28 -11.976 -7.505 -4.983 1.00 0.00 O ATOM 356 ND2 ASN A 28 -11.509 -8.224 -7.058 1.00 0.00 N ATOM 0 H ASN A 28 -9.939 -3.763 -7.197 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.178 -6.148 -5.706 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.532 -5.163 -5.826 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.578 -5.647 -7.510 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -11.789 -9.180 -6.838 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.175 -7.993 -7.993 1.00 0.00 H new ATOM 363 N ARG A 29 -9.161 -5.975 -8.992 1.00 0.00 N ATOM 364 CA ARG A 29 -8.688 -6.640 -10.200 1.00 0.00 C ATOM 365 C ARG A 29 -7.173 -6.516 -10.331 1.00 0.00 C ATOM 366 O ARG A 29 -6.569 -7.101 -11.229 1.00 0.00 O ATOM 367 CB ARG A 29 -9.368 -6.044 -11.434 1.00 0.00 C ATOM 368 CG ARG A 29 -10.742 -6.630 -11.716 1.00 0.00 C ATOM 369 CD ARG A 29 -10.643 -8.050 -12.248 1.00 0.00 C ATOM 370 NE ARG A 29 -10.576 -8.085 -13.707 1.00 0.00 N ATOM 371 CZ ARG A 29 -11.626 -7.892 -14.496 1.00 0.00 C ATOM 372 NH1 ARG A 29 -12.819 -7.652 -13.970 1.00 0.00 N ATOM 373 NH2 ARG A 29 -11.485 -7.938 -15.815 1.00 0.00 N ATOM 0 H ARG A 29 -9.541 -5.041 -9.146 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.943 -7.697 -10.127 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.462 -4.966 -11.301 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.729 -6.203 -12.303 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -11.336 -6.623 -10.802 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.264 -6.005 -12.440 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.758 -8.532 -11.833 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -11.506 -8.624 -11.911 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.672 -8.268 -14.144 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -12.932 -7.615 -12.957 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -13.624 -7.504 -14.578 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.569 -8.122 -16.224 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -12.293 -7.789 -16.420 1.00 0.00 H new ATOM 387 N GLU A 30 -6.567 -5.751 -9.428 1.00 0.00 N ATOM 388 CA GLU A 30 -5.122 -5.550 -9.444 1.00 0.00 C ATOM 389 C GLU A 30 -4.456 -6.304 -8.297 1.00 0.00 C ATOM 390 O GLU A 30 -3.430 -6.959 -8.483 1.00 0.00 O ATOM 391 CB GLU A 30 -4.791 -4.060 -9.351 1.00 0.00 C ATOM 392 CG GLU A 30 -4.709 -3.368 -10.701 1.00 0.00 C ATOM 393 CD GLU A 30 -3.348 -3.521 -11.353 1.00 0.00 C ATOM 394 OE1 GLU A 30 -2.778 -4.630 -11.281 1.00 0.00 O ATOM 395 OE2 GLU A 30 -2.854 -2.533 -11.935 1.00 0.00 O ATOM 0 H GLU A 30 -7.053 -5.261 -8.677 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.736 -5.941 -10.385 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.550 -3.565 -8.744 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.840 -3.940 -8.832 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.473 -3.778 -11.362 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.931 -2.308 -10.576 1.00 0.00 H new ATOM 402 N VAL A 31 -5.045 -6.205 -7.110 1.00 0.00 N ATOM 403 CA VAL A 31 -4.510 -6.876 -5.932 1.00 0.00 C ATOM 404 C VAL A 31 -5.341 -8.103 -5.573 1.00 0.00 C ATOM 405 O VAL A 31 -4.859 -9.234 -5.641 1.00 0.00 O ATOM 406 CB VAL A 31 -4.463 -5.929 -4.718 1.00 0.00 C ATOM 407 CG1 VAL A 31 -3.895 -6.646 -3.503 1.00 0.00 C ATOM 408 CG2 VAL A 31 -3.647 -4.687 -5.044 1.00 0.00 C ATOM 0 H VAL A 31 -5.894 -5.666 -6.939 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.495 -7.187 -6.180 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.480 -5.617 -4.483 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.870 -5.961 -2.655 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.524 -7.502 -3.259 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.884 -6.989 -3.723 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.624 -4.029 -4.176 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.630 -4.978 -5.306 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.102 -4.163 -5.885 1.00 0.00 H new ATOM 418 N ILE A 32 -6.593 -7.871 -5.191 1.00 0.00 N ATOM 419 CA ILE A 32 -7.492 -8.958 -4.823 1.00 0.00 C ATOM 420 C ILE A 32 -7.475 -10.065 -5.872 1.00 0.00 C ATOM 421 O ILE A 32 -7.611 -11.244 -5.546 1.00 0.00 O ATOM 422 CB ILE A 32 -8.937 -8.456 -4.646 1.00 0.00 C ATOM 423 CG1 ILE A 32 -8.981 -7.302 -3.643 1.00 0.00 C ATOM 424 CG2 ILE A 32 -9.840 -9.594 -4.191 1.00 0.00 C ATOM 425 CD1 ILE A 32 -8.583 -7.704 -2.241 1.00 0.00 C ATOM 0 H ILE A 32 -7.007 -6.941 -5.128 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.135 -9.356 -3.873 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.299 -8.091 -5.607 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.318 -6.508 -3.986 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.989 -6.889 -3.621 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.858 -9.224 -4.070 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.829 -10.388 -4.937 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -9.481 -9.985 -3.239 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -8.637 -6.836 -1.584 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.261 -8.477 -1.878 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.564 -8.090 -2.249 1.00 0.00 H new ATOM 437 N GLN A 33 -7.305 -9.676 -7.132 1.00 0.00 N ATOM 438 CA GLN A 33 -7.269 -10.637 -8.228 1.00 0.00 C ATOM 439 C GLN A 33 -5.833 -11.029 -8.561 1.00 0.00 C ATOM 440 O GLN A 33 -5.516 -11.348 -9.707 1.00 0.00 O ATOM 441 CB GLN A 33 -7.951 -10.054 -9.467 1.00 0.00 C ATOM 442 CG GLN A 33 -9.467 -10.001 -9.358 1.00 0.00 C ATOM 443 CD GLN A 33 -10.027 -11.098 -8.475 1.00 0.00 C ATOM 444 OE1 GLN A 33 -10.246 -10.781 -7.204 1.00 0.00 O flip ATOM 445 NE2 GLN A 33 -10.261 -12.218 -8.930 1.00 0.00 N flip ATOM 0 H GLN A 33 -7.190 -8.704 -7.419 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.807 -11.531 -7.912 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.572 -9.047 -9.640 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.678 -10.651 -10.337 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.765 -9.031 -8.959 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.902 -10.084 -10.354 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.077 -12.418 -9.913 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.638 -12.946 -8.324 1.00 0.00 H new ATOM 454 N SER A 34 -4.968 -11.002 -7.552 1.00 0.00 N ATOM 455 CA SER A 34 -3.565 -11.351 -7.739 1.00 0.00 C ATOM 456 C SER A 34 -3.176 -12.532 -6.855 1.00 0.00 C ATOM 457 O SER A 34 -3.276 -12.464 -5.629 1.00 0.00 O ATOM 458 CB SER A 34 -2.672 -10.149 -7.424 1.00 0.00 C ATOM 459 OG SER A 34 -1.301 -10.499 -7.496 1.00 0.00 O ATOM 0 H SER A 34 -5.214 -10.742 -6.597 1.00 0.00 H new ATOM 0 HA SER A 34 -3.424 -11.637 -8.781 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.882 -9.342 -8.126 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.902 -9.772 -6.428 1.00 0.00 H new ATOM 0 HG SER A 34 -0.753 -9.729 -7.238 1.00 0.00 H new ATOM 465 N ASP A 35 -2.733 -13.614 -7.485 1.00 0.00 N ATOM 466 CA ASP A 35 -2.328 -14.811 -6.757 1.00 0.00 C ATOM 467 C ASP A 35 -0.900 -14.674 -6.237 1.00 0.00 C ATOM 468 O ASP A 35 -0.262 -15.662 -5.878 1.00 0.00 O ATOM 469 CB ASP A 35 -2.440 -16.043 -7.657 1.00 0.00 C ATOM 470 CG ASP A 35 -2.674 -17.316 -6.868 1.00 0.00 C ATOM 471 OD1 ASP A 35 -3.130 -17.221 -5.709 1.00 0.00 O ATOM 472 OD2 ASP A 35 -2.402 -18.408 -7.410 1.00 0.00 O ATOM 0 H ASP A 35 -2.645 -13.687 -8.499 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.996 -14.931 -5.904 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.258 -15.901 -8.363 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.527 -16.145 -8.244 1.00 0.00 H new ATOM 477 N GLY A 36 -0.405 -13.440 -6.201 1.00 0.00 N ATOM 478 CA GLY A 36 0.944 -13.196 -5.724 1.00 0.00 C ATOM 479 C GLY A 36 0.981 -12.231 -4.556 1.00 0.00 C ATOM 480 O GLY A 36 0.053 -12.188 -3.747 1.00 0.00 O ATOM 0 H GLY A 36 -0.914 -12.606 -6.493 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.397 -14.141 -5.425 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.548 -12.798 -6.539 1.00 0.00 H new ATOM 484 N LEU A 37 2.056 -11.456 -4.465 1.00 0.00 N ATOM 485 CA LEU A 37 2.211 -10.488 -3.385 1.00 0.00 C ATOM 486 C LEU A 37 1.964 -9.068 -3.886 1.00 0.00 C ATOM 487 O LEU A 37 2.401 -8.700 -4.977 1.00 0.00 O ATOM 488 CB LEU A 37 3.612 -10.590 -2.779 1.00 0.00 C ATOM 489 CG LEU A 37 3.738 -10.186 -1.309 1.00 0.00 C ATOM 490 CD1 LEU A 37 3.160 -11.265 -0.407 1.00 0.00 C ATOM 491 CD2 LEU A 37 5.193 -9.915 -0.955 1.00 0.00 C ATOM 0 H LEU A 37 2.833 -11.479 -5.126 1.00 0.00 H new ATOM 0 HA LEU A 37 1.472 -10.717 -2.617 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.957 -11.619 -2.883 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.286 -9.966 -3.366 1.00 0.00 H new ATOM 0 HG LEU A 37 3.169 -9.269 -1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.259 -10.960 0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.106 -11.411 -0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.700 -12.199 -0.564 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.265 -9.629 0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.783 -10.815 -1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.575 -9.107 -1.579 1.00 0.00 H new ATOM 503 N TRP A 38 1.263 -8.276 -3.083 1.00 0.00 N ATOM 504 CA TRP A 38 0.960 -6.896 -3.445 1.00 0.00 C ATOM 505 C TRP A 38 1.299 -5.947 -2.301 1.00 0.00 C ATOM 506 O TRP A 38 0.897 -6.168 -1.158 1.00 0.00 O ATOM 507 CB TRP A 38 -0.517 -6.758 -3.819 1.00 0.00 C ATOM 508 CG TRP A 38 -0.759 -6.774 -5.298 1.00 0.00 C ATOM 509 CD1 TRP A 38 -1.105 -7.853 -6.060 1.00 0.00 C ATOM 510 CD2 TRP A 38 -0.673 -5.660 -6.192 1.00 0.00 C ATOM 511 NE1 TRP A 38 -1.238 -7.477 -7.375 1.00 0.00 N ATOM 512 CE2 TRP A 38 -0.979 -6.136 -7.482 1.00 0.00 C ATOM 513 CE3 TRP A 38 -0.368 -4.306 -6.030 1.00 0.00 C ATOM 514 CZ2 TRP A 38 -0.988 -5.306 -8.600 1.00 0.00 C ATOM 515 CZ3 TRP A 38 -0.377 -3.483 -7.140 1.00 0.00 C ATOM 516 CH2 TRP A 38 -0.685 -3.985 -8.411 1.00 0.00 C ATOM 0 H TRP A 38 0.894 -8.565 -2.177 1.00 0.00 H new ATOM 0 HA TRP A 38 1.572 -6.629 -4.307 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -1.079 -7.570 -3.357 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -0.904 -5.827 -3.405 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.252 -8.855 -5.684 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -1.489 -8.096 -8.146 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.129 -3.910 -5.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.226 -5.691 -9.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.143 -2.435 -7.026 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.683 -3.316 -9.259 1.00 0.00 H new ATOM 527 N LEU A 39 2.038 -4.889 -2.616 1.00 0.00 N ATOM 528 CA LEU A 39 2.431 -3.905 -1.613 1.00 0.00 C ATOM 529 C LEU A 39 1.771 -2.557 -1.886 1.00 0.00 C ATOM 530 O LEU A 39 2.214 -1.799 -2.748 1.00 0.00 O ATOM 531 CB LEU A 39 3.952 -3.746 -1.595 1.00 0.00 C ATOM 532 CG LEU A 39 4.710 -4.648 -0.621 1.00 0.00 C ATOM 533 CD1 LEU A 39 6.209 -4.550 -0.857 1.00 0.00 C ATOM 534 CD2 LEU A 39 4.370 -4.285 0.817 1.00 0.00 C ATOM 0 H LEU A 39 2.377 -4.690 -3.557 1.00 0.00 H new ATOM 0 HA LEU A 39 2.098 -4.262 -0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.329 -3.933 -2.601 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.186 -2.709 -1.355 1.00 0.00 H new ATOM 0 HG LEU A 39 4.402 -5.679 -0.797 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.731 -5.199 -0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.438 -4.860 -1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.534 -3.520 -0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.919 -4.937 1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.648 -3.248 1.006 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.299 -4.409 0.980 1.00 0.00 H new ATOM 546 N VAL A 40 0.708 -2.264 -1.143 1.00 0.00 N ATOM 547 CA VAL A 40 -0.012 -1.006 -1.301 1.00 0.00 C ATOM 548 C VAL A 40 0.337 -0.028 -0.185 1.00 0.00 C ATOM 549 O VAL A 40 0.228 -0.356 0.996 1.00 0.00 O ATOM 550 CB VAL A 40 -1.536 -1.230 -1.315 1.00 0.00 C ATOM 551 CG1 VAL A 40 -2.266 0.082 -1.560 1.00 0.00 C ATOM 552 CG2 VAL A 40 -1.913 -2.263 -2.366 1.00 0.00 C ATOM 0 H VAL A 40 0.327 -2.881 -0.426 1.00 0.00 H new ATOM 0 HA VAL A 40 0.295 -0.584 -2.258 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.839 -1.610 -0.339 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.341 -0.096 -1.567 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.020 0.789 -0.768 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.960 0.494 -2.522 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.993 -2.409 -2.362 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.598 -1.914 -3.349 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.419 -3.208 -2.141 1.00 0.00 H new ATOM 562 N GLU A 41 0.756 1.174 -0.568 1.00 0.00 N ATOM 563 CA GLU A 41 1.121 2.199 0.402 1.00 0.00 C ATOM 564 C GLU A 41 0.160 3.383 0.331 1.00 0.00 C ATOM 565 O GLU A 41 -0.019 3.989 -0.725 1.00 0.00 O ATOM 566 CB GLU A 41 2.554 2.677 0.158 1.00 0.00 C ATOM 567 CG GLU A 41 2.876 4.004 0.824 1.00 0.00 C ATOM 568 CD GLU A 41 4.308 4.444 0.588 1.00 0.00 C ATOM 569 OE1 GLU A 41 5.218 3.599 0.720 1.00 0.00 O ATOM 570 OE2 GLU A 41 4.518 5.633 0.271 1.00 0.00 O ATOM 0 H GLU A 41 0.851 1.461 -1.542 1.00 0.00 H new ATOM 0 HA GLU A 41 1.056 1.759 1.397 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.248 1.919 0.523 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.719 2.770 -0.915 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.198 4.769 0.447 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.698 3.921 1.896 1.00 0.00 H new ATOM 577 N PHE A 42 -0.456 3.705 1.463 1.00 0.00 N ATOM 578 CA PHE A 42 -1.401 4.814 1.530 1.00 0.00 C ATOM 579 C PHE A 42 -0.689 6.113 1.896 1.00 0.00 C ATOM 580 O PHE A 42 -0.378 6.356 3.063 1.00 0.00 O ATOM 581 CB PHE A 42 -2.499 4.516 2.553 1.00 0.00 C ATOM 582 CG PHE A 42 -3.301 3.287 2.230 1.00 0.00 C ATOM 583 CD1 PHE A 42 -2.861 2.034 2.623 1.00 0.00 C ATOM 584 CD2 PHE A 42 -4.494 3.387 1.533 1.00 0.00 C ATOM 585 CE1 PHE A 42 -3.597 0.901 2.328 1.00 0.00 C ATOM 586 CE2 PHE A 42 -5.234 2.258 1.236 1.00 0.00 C ATOM 587 CZ PHE A 42 -4.785 1.014 1.632 1.00 0.00 C ATOM 0 H PHE A 42 -0.318 3.214 2.346 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.854 4.932 0.546 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.045 4.396 3.537 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.170 5.373 2.614 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.932 1.941 3.166 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.850 4.357 1.218 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.244 -0.070 2.641 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.164 2.349 0.694 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.361 0.131 1.398 1.00 0.00 H new ATOM 597 N TYR A 43 -0.434 6.944 0.892 1.00 0.00 N ATOM 598 CA TYR A 43 0.244 8.217 1.106 1.00 0.00 C ATOM 599 C TYR A 43 -0.720 9.385 0.924 1.00 0.00 C ATOM 600 O TYR A 43 -1.870 9.199 0.527 1.00 0.00 O ATOM 601 CB TYR A 43 1.423 8.360 0.142 1.00 0.00 C ATOM 602 CG TYR A 43 1.007 8.628 -1.287 1.00 0.00 C ATOM 603 CD1 TYR A 43 0.563 9.885 -1.678 1.00 0.00 C ATOM 604 CD2 TYR A 43 1.058 7.624 -2.246 1.00 0.00 C ATOM 605 CE1 TYR A 43 0.182 10.135 -2.982 1.00 0.00 C ATOM 606 CE2 TYR A 43 0.680 7.865 -3.553 1.00 0.00 C ATOM 607 CZ TYR A 43 0.243 9.121 -3.916 1.00 0.00 C ATOM 608 OH TYR A 43 -0.136 9.365 -5.216 1.00 0.00 O ATOM 0 H TYR A 43 -0.687 6.759 -0.079 1.00 0.00 H new ATOM 0 HA TYR A 43 0.617 8.233 2.130 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.064 9.173 0.483 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.020 7.448 0.173 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.515 10.681 -0.949 1.00 0.00 H new ATOM 0 HD2 TYR A 43 1.399 6.638 -1.965 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.161 11.118 -3.269 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.727 7.074 -4.286 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.032 8.547 -5.746 1.00 0.00 H new ATOM 618 N ALA A 44 -0.242 10.590 1.218 1.00 0.00 N ATOM 619 CA ALA A 44 -1.059 11.790 1.085 1.00 0.00 C ATOM 620 C ALA A 44 -0.299 12.894 0.359 1.00 0.00 C ATOM 621 O ALA A 44 0.769 13.331 0.789 1.00 0.00 O ATOM 622 CB ALA A 44 -1.516 12.272 2.454 1.00 0.00 C ATOM 0 H ALA A 44 0.707 10.761 1.550 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.937 11.538 0.490 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.125 13.169 2.339 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.105 11.492 2.936 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.645 12.501 3.068 1.00 0.00 H new ATOM 628 N PRO A 45 -0.859 13.358 -0.768 1.00 0.00 N ATOM 629 CA PRO A 45 -0.250 14.418 -1.577 1.00 0.00 C ATOM 630 C PRO A 45 -0.292 15.775 -0.881 1.00 0.00 C ATOM 631 O PRO A 45 0.096 16.790 -1.458 1.00 0.00 O ATOM 632 CB PRO A 45 -1.112 14.439 -2.841 1.00 0.00 C ATOM 633 CG PRO A 45 -2.431 13.895 -2.410 1.00 0.00 C ATOM 634 CD PRO A 45 -2.131 12.884 -1.338 1.00 0.00 C ATOM 0 HA PRO A 45 0.806 14.229 -1.768 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -1.211 15.450 -3.236 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.672 13.830 -3.631 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.075 14.688 -2.030 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.955 13.433 -3.247 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.920 12.849 -0.587 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.037 11.879 -1.749 1.00 0.00 H new ATOM 642 N TRP A 46 -0.764 15.783 0.360 1.00 0.00 N ATOM 643 CA TRP A 46 -0.856 17.016 1.134 1.00 0.00 C ATOM 644 C TRP A 46 0.036 16.951 2.369 1.00 0.00 C ATOM 645 O TRP A 46 0.372 17.980 2.958 1.00 0.00 O ATOM 646 CB TRP A 46 -2.305 17.275 1.549 1.00 0.00 C ATOM 647 CG TRP A 46 -2.932 16.120 2.270 1.00 0.00 C ATOM 648 CD1 TRP A 46 -3.900 15.283 1.791 1.00 0.00 C ATOM 649 CD2 TRP A 46 -2.637 15.677 3.598 1.00 0.00 C ATOM 650 NE1 TRP A 46 -4.223 14.346 2.743 1.00 0.00 N ATOM 651 CE2 TRP A 46 -3.462 14.565 3.860 1.00 0.00 C ATOM 652 CE3 TRP A 46 -1.754 16.108 4.592 1.00 0.00 C ATOM 653 CZ2 TRP A 46 -3.429 13.884 5.073 1.00 0.00 C ATOM 654 CZ3 TRP A 46 -1.723 15.431 5.796 1.00 0.00 C ATOM 655 CH2 TRP A 46 -2.555 14.328 6.028 1.00 0.00 C ATOM 0 H TRP A 46 -1.089 14.951 0.852 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.514 17.837 0.505 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.340 18.156 2.190 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -2.895 17.503 0.661 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -4.345 15.348 0.809 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.917 13.607 2.635 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -1.107 16.956 4.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -4.071 13.035 5.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.046 15.758 6.571 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -2.506 13.818 6.979 1.00 0.00 H new ATOM 666 N CYS A 47 0.415 15.739 2.756 1.00 0.00 N ATOM 667 CA CYS A 47 1.269 15.541 3.922 1.00 0.00 C ATOM 668 C CYS A 47 2.733 15.786 3.573 1.00 0.00 C ATOM 669 O CYS A 47 3.074 16.023 2.415 1.00 0.00 O ATOM 670 CB CYS A 47 1.094 14.125 4.473 1.00 0.00 C ATOM 671 SG CYS A 47 1.236 14.010 6.272 1.00 0.00 S ATOM 0 H CYS A 47 0.145 14.878 2.280 1.00 0.00 H new ATOM 0 HA CYS A 47 0.972 16.260 4.685 1.00 0.00 H new ATOM 0 HB2 CYS A 47 0.117 13.748 4.172 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.841 13.475 4.018 1.00 0.00 H new ATOM 0 HG CYS A 47 1.851 12.910 6.589 1.00 0.00 H new ATOM 677 N GLY A 48 3.595 15.730 4.584 1.00 0.00 N ATOM 678 CA GLY A 48 5.012 15.951 4.364 1.00 0.00 C ATOM 679 C GLY A 48 5.787 14.654 4.232 1.00 0.00 C ATOM 680 O GLY A 48 6.248 14.307 3.144 1.00 0.00 O ATOM 0 H GLY A 48 3.337 15.535 5.551 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.148 16.546 3.461 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.419 16.531 5.192 1.00 0.00 H new ATOM 684 N HIS A 49 5.932 13.938 5.342 1.00 0.00 N ATOM 685 CA HIS A 49 6.657 12.673 5.345 1.00 0.00 C ATOM 686 C HIS A 49 6.216 11.790 4.182 1.00 0.00 C ATOM 687 O HIS A 49 7.000 10.995 3.662 1.00 0.00 O ATOM 688 CB HIS A 49 6.439 11.939 6.669 1.00 0.00 C ATOM 689 CG HIS A 49 5.040 12.050 7.191 1.00 0.00 C ATOM 690 ND1 HIS A 49 4.736 12.598 8.420 1.00 0.00 N ATOM 691 CD2 HIS A 49 3.858 11.681 6.644 1.00 0.00 C ATOM 692 CE1 HIS A 49 3.429 12.560 8.606 1.00 0.00 C ATOM 693 NE2 HIS A 49 2.873 12.008 7.542 1.00 0.00 N ATOM 0 H HIS A 49 5.557 14.212 6.250 1.00 0.00 H new ATOM 0 HA HIS A 49 7.719 12.891 5.229 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.686 10.886 6.536 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.129 12.337 7.414 1.00 0.00 H new ATOM 0 HD1 HIS A 49 5.415 12.974 9.082 1.00 0.00 H new ATOM 0 HD2 HIS A 49 3.716 11.216 5.680 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.904 12.919 9.479 1.00 0.00 H new ATOM 702 N CYS A 50 4.958 11.934 3.780 1.00 0.00 N ATOM 703 CA CYS A 50 4.412 11.149 2.679 1.00 0.00 C ATOM 704 C CYS A 50 5.087 11.517 1.361 1.00 0.00 C ATOM 705 O CYS A 50 5.585 10.650 0.645 1.00 0.00 O ATOM 706 CB CYS A 50 2.902 11.364 2.571 1.00 0.00 C ATOM 707 SG CYS A 50 1.949 10.589 3.898 1.00 0.00 S ATOM 0 H CYS A 50 4.297 12.587 4.200 1.00 0.00 H new ATOM 0 HA CYS A 50 4.607 10.096 2.884 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.698 12.435 2.569 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.558 10.972 1.614 1.00 0.00 H new ATOM 0 HG CYS A 50 0.684 10.829 3.721 1.00 0.00 H new ATOM 713 N GLN A 51 5.096 12.809 1.049 1.00 0.00 N ATOM 714 CA GLN A 51 5.707 13.292 -0.184 1.00 0.00 C ATOM 715 C GLN A 51 7.183 12.915 -0.244 1.00 0.00 C ATOM 716 O GLN A 51 7.792 12.918 -1.314 1.00 0.00 O ATOM 717 CB GLN A 51 5.551 14.809 -0.296 1.00 0.00 C ATOM 718 CG GLN A 51 4.108 15.280 -0.215 1.00 0.00 C ATOM 719 CD GLN A 51 3.993 16.780 -0.032 1.00 0.00 C ATOM 720 OE1 GLN A 51 4.983 17.506 -0.122 1.00 0.00 O ATOM 721 NE2 GLN A 51 2.779 17.254 0.225 1.00 0.00 N ATOM 0 H GLN A 51 4.688 13.539 1.632 1.00 0.00 H new ATOM 0 HA GLN A 51 5.196 12.819 -1.022 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.125 15.285 0.499 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.980 15.141 -1.241 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.583 14.987 -1.124 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.612 14.777 0.615 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.986 16.616 0.291 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.640 18.256 0.356 1.00 0.00 H new ATOM 730 N ARG A 52 7.753 12.590 0.912 1.00 0.00 N ATOM 731 CA ARG A 52 9.159 12.212 0.991 1.00 0.00 C ATOM 732 C ARG A 52 9.328 10.706 0.813 1.00 0.00 C ATOM 733 O ARG A 52 10.443 10.212 0.635 1.00 0.00 O ATOM 734 CB ARG A 52 9.752 12.648 2.332 1.00 0.00 C ATOM 735 CG ARG A 52 9.621 14.139 2.600 1.00 0.00 C ATOM 736 CD ARG A 52 10.830 14.905 2.085 1.00 0.00 C ATOM 737 NE ARG A 52 10.804 15.055 0.633 1.00 0.00 N ATOM 738 CZ ARG A 52 10.125 16.008 0.004 1.00 0.00 C ATOM 739 NH1 ARG A 52 9.418 16.890 0.697 1.00 0.00 N ATOM 740 NH2 ARG A 52 10.151 16.079 -1.320 1.00 0.00 N ATOM 0 H ARG A 52 7.263 12.581 1.806 1.00 0.00 H new ATOM 0 HA ARG A 52 9.691 12.718 0.185 1.00 0.00 H new ATOM 0 HB2 ARG A 52 9.259 12.099 3.134 1.00 0.00 H new ATOM 0 HB3 ARG A 52 10.807 12.374 2.360 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.718 14.518 2.122 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.510 14.309 3.671 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.861 15.890 2.551 1.00 0.00 H new ATOM 0 HD3 ARG A 52 11.741 14.385 2.380 1.00 0.00 H new ATOM 0 HE ARG A 52 11.337 14.391 0.070 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.395 16.838 1.715 1.00 0.00 H new ATOM 0 HH12 ARG A 52 8.898 17.621 0.212 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.693 15.401 -1.857 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.629 16.811 -1.802 1.00 0.00 H new ATOM 754 N LEU A 53 8.216 9.981 0.864 1.00 0.00 N ATOM 755 CA LEU A 53 8.241 8.531 0.710 1.00 0.00 C ATOM 756 C LEU A 53 8.003 8.134 -0.744 1.00 0.00 C ATOM 757 O LEU A 53 7.904 6.950 -1.068 1.00 0.00 O ATOM 758 CB LEU A 53 7.183 7.885 1.606 1.00 0.00 C ATOM 759 CG LEU A 53 7.199 6.357 1.669 1.00 0.00 C ATOM 760 CD1 LEU A 53 8.547 5.857 2.164 1.00 0.00 C ATOM 761 CD2 LEU A 53 6.078 5.849 2.564 1.00 0.00 C ATOM 0 H LEU A 53 7.286 10.374 1.011 1.00 0.00 H new ATOM 0 HA LEU A 53 9.227 8.175 1.008 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.307 8.272 2.618 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.200 8.204 1.261 1.00 0.00 H new ATOM 0 HG LEU A 53 7.038 5.969 0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.539 4.768 2.202 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.331 6.191 1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.738 6.254 3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.104 4.760 2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.208 6.246 3.571 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.118 6.177 2.166 1.00 0.00 H new ATOM 773 N THR A 54 7.913 9.133 -1.618 1.00 0.00 N ATOM 774 CA THR A 54 7.688 8.888 -3.037 1.00 0.00 C ATOM 775 C THR A 54 8.883 8.185 -3.670 1.00 0.00 C ATOM 776 O THR A 54 8.749 7.154 -4.330 1.00 0.00 O ATOM 777 CB THR A 54 7.418 10.201 -3.796 1.00 0.00 C ATOM 778 OG1 THR A 54 6.923 11.197 -2.894 1.00 0.00 O ATOM 779 CG2 THR A 54 6.412 9.980 -4.916 1.00 0.00 C ATOM 0 H THR A 54 7.993 10.119 -1.367 1.00 0.00 H new ATOM 0 HA THR A 54 6.811 8.245 -3.112 1.00 0.00 H new ATOM 0 HB THR A 54 8.357 10.542 -4.232 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.677 11.676 -2.490 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.237 10.920 -5.438 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.804 9.243 -5.617 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.474 9.618 -4.496 1.00 0.00 H new ATOM 787 N PRO A 55 10.081 8.752 -3.466 1.00 0.00 N ATOM 788 CA PRO A 55 11.324 8.195 -4.008 1.00 0.00 C ATOM 789 C PRO A 55 11.718 6.888 -3.328 1.00 0.00 C ATOM 790 O PRO A 55 12.364 6.033 -3.934 1.00 0.00 O ATOM 791 CB PRO A 55 12.359 9.283 -3.714 1.00 0.00 C ATOM 792 CG PRO A 55 11.811 10.020 -2.541 1.00 0.00 C ATOM 793 CD PRO A 55 10.315 9.981 -2.689 1.00 0.00 C ATOM 0 HA PRO A 55 11.233 7.949 -5.066 1.00 0.00 H new ATOM 0 HB2 PRO A 55 13.334 8.851 -3.490 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.492 9.944 -4.570 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.123 9.553 -1.607 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.174 11.047 -2.521 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.816 9.945 -1.720 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.939 10.863 -3.209 1.00 0.00 H new ATOM 801 N GLU A 56 11.324 6.739 -2.067 1.00 0.00 N ATOM 802 CA GLU A 56 11.637 5.535 -1.307 1.00 0.00 C ATOM 803 C GLU A 56 10.736 4.377 -1.726 1.00 0.00 C ATOM 804 O GLU A 56 11.183 3.235 -1.828 1.00 0.00 O ATOM 805 CB GLU A 56 11.483 5.798 0.193 1.00 0.00 C ATOM 806 CG GLU A 56 12.530 6.746 0.755 1.00 0.00 C ATOM 807 CD GLU A 56 12.249 7.139 2.192 1.00 0.00 C ATOM 808 OE1 GLU A 56 12.651 6.384 3.102 1.00 0.00 O ATOM 809 OE2 GLU A 56 11.627 8.200 2.408 1.00 0.00 O ATOM 0 H GLU A 56 10.788 7.437 -1.551 1.00 0.00 H new ATOM 0 HA GLU A 56 12.671 5.262 -1.517 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.492 6.212 0.381 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.539 4.850 0.727 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.511 6.274 0.696 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.571 7.644 0.138 1.00 0.00 H new ATOM 816 N TRP A 57 9.466 4.681 -1.967 1.00 0.00 N ATOM 817 CA TRP A 57 8.501 3.666 -2.374 1.00 0.00 C ATOM 818 C TRP A 57 8.722 3.257 -3.827 1.00 0.00 C ATOM 819 O TRP A 57 8.677 2.074 -4.163 1.00 0.00 O ATOM 820 CB TRP A 57 7.075 4.184 -2.188 1.00 0.00 C ATOM 821 CG TRP A 57 6.039 3.102 -2.227 1.00 0.00 C ATOM 822 CD1 TRP A 57 4.954 3.035 -3.054 1.00 0.00 C ATOM 823 CD2 TRP A 57 5.991 1.931 -1.404 1.00 0.00 C ATOM 824 NE1 TRP A 57 4.234 1.894 -2.793 1.00 0.00 N ATOM 825 CE2 TRP A 57 4.850 1.200 -1.786 1.00 0.00 C ATOM 826 CE3 TRP A 57 6.802 1.430 -0.382 1.00 0.00 C ATOM 827 CZ2 TRP A 57 4.501 -0.005 -1.181 1.00 0.00 C ATOM 828 CZ3 TRP A 57 6.454 0.234 0.218 1.00 0.00 C ATOM 829 CH2 TRP A 57 5.312 -0.473 -0.183 1.00 0.00 C ATOM 0 H TRP A 57 9.080 5.622 -1.888 1.00 0.00 H new ATOM 0 HA TRP A 57 8.646 2.789 -1.743 1.00 0.00 H new ATOM 0 HB2 TRP A 57 7.008 4.707 -1.234 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.857 4.914 -2.968 1.00 0.00 H new ATOM 0 HD1 TRP A 57 4.699 3.770 -3.803 1.00 0.00 H new ATOM 0 HE1 TRP A 57 3.379 1.610 -3.272 1.00 0.00 H new ATOM 0 HE3 TRP A 57 7.684 1.967 -0.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 3.621 -0.551 -1.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 7.073 -0.162 1.009 1.00 0.00 H new ATOM 0 HH2 TRP A 57 5.067 -1.405 0.305 1.00 0.00 H new ATOM 840 N LYS A 58 8.960 4.244 -4.684 1.00 0.00 N ATOM 841 CA LYS A 58 9.189 3.988 -6.101 1.00 0.00 C ATOM 842 C LYS A 58 10.338 3.004 -6.298 1.00 0.00 C ATOM 843 O LYS A 58 10.199 2.002 -6.999 1.00 0.00 O ATOM 844 CB LYS A 58 9.492 5.296 -6.835 1.00 0.00 C ATOM 845 CG LYS A 58 8.252 6.104 -7.175 1.00 0.00 C ATOM 846 CD LYS A 58 8.611 7.430 -7.825 1.00 0.00 C ATOM 847 CE LYS A 58 7.390 8.324 -7.978 1.00 0.00 C ATOM 848 NZ LYS A 58 7.714 9.587 -8.699 1.00 0.00 N ATOM 0 H LYS A 58 8.999 5.229 -4.422 1.00 0.00 H new ATOM 0 HA LYS A 58 8.282 3.548 -6.516 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.154 5.904 -6.218 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.032 5.070 -7.755 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.615 5.529 -7.847 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.676 6.287 -6.268 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.363 7.940 -7.223 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.055 7.248 -8.804 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.612 7.786 -8.519 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.988 8.561 -6.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.856 10.169 -8.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.438 10.113 -8.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.074 9.362 -9.648 1.00 0.00 H new ATOM 862 N LYS A 59 11.474 3.296 -5.673 1.00 0.00 N ATOM 863 CA LYS A 59 12.647 2.437 -5.776 1.00 0.00 C ATOM 864 C LYS A 59 12.275 0.977 -5.536 1.00 0.00 C ATOM 865 O LYS A 59 12.598 0.105 -6.342 1.00 0.00 O ATOM 866 CB LYS A 59 13.715 2.874 -4.770 1.00 0.00 C ATOM 867 CG LYS A 59 14.598 4.003 -5.273 1.00 0.00 C ATOM 868 CD LYS A 59 15.757 4.267 -4.327 1.00 0.00 C ATOM 869 CE LYS A 59 15.386 5.290 -3.263 1.00 0.00 C ATOM 870 NZ LYS A 59 16.459 5.442 -2.242 1.00 0.00 N ATOM 0 H LYS A 59 11.607 4.122 -5.089 1.00 0.00 H new ATOM 0 HA LYS A 59 13.047 2.531 -6.785 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.226 3.189 -3.848 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.341 2.017 -4.522 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.983 3.752 -6.261 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.003 4.910 -5.384 1.00 0.00 H new ATOM 0 HD2 LYS A 59 16.057 3.335 -3.848 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.616 4.625 -4.894 1.00 0.00 H new ATOM 0 HE2 LYS A 59 15.196 6.253 -3.736 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.460 4.986 -2.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 16.168 6.147 -1.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 16.623 4.529 -1.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 17.336 5.756 -2.704 1.00 0.00 H new ATOM 884 N ALA A 60 11.594 0.720 -4.425 1.00 0.00 N ATOM 885 CA ALA A 60 11.175 -0.634 -4.082 1.00 0.00 C ATOM 886 C ALA A 60 10.313 -1.238 -5.185 1.00 0.00 C ATOM 887 O ALA A 60 10.397 -2.433 -5.467 1.00 0.00 O ATOM 888 CB ALA A 60 10.421 -0.634 -2.760 1.00 0.00 C ATOM 0 H ALA A 60 11.320 1.431 -3.747 1.00 0.00 H new ATOM 0 HA ALA A 60 12.069 -1.249 -3.978 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.114 -1.651 -2.516 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.069 -0.252 -1.971 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.539 0.001 -2.844 1.00 0.00 H new ATOM 894 N ALA A 61 9.485 -0.405 -5.806 1.00 0.00 N ATOM 895 CA ALA A 61 8.608 -0.857 -6.879 1.00 0.00 C ATOM 896 C ALA A 61 9.414 -1.306 -8.093 1.00 0.00 C ATOM 897 O ALA A 61 9.051 -2.267 -8.772 1.00 0.00 O ATOM 898 CB ALA A 61 7.636 0.247 -7.267 1.00 0.00 C ATOM 0 H ALA A 61 9.403 0.587 -5.584 1.00 0.00 H new ATOM 0 HA ALA A 61 8.040 -1.713 -6.515 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.987 -0.105 -8.069 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.030 0.518 -6.403 1.00 0.00 H new ATOM 0 HB3 ALA A 61 8.194 1.120 -7.607 1.00 0.00 H new ATOM 904 N THR A 62 10.511 -0.604 -8.363 1.00 0.00 N ATOM 905 CA THR A 62 11.367 -0.929 -9.496 1.00 0.00 C ATOM 906 C THR A 62 11.999 -2.307 -9.330 1.00 0.00 C ATOM 907 O THR A 62 12.078 -3.083 -10.282 1.00 0.00 O ATOM 908 CB THR A 62 12.483 0.117 -9.676 1.00 0.00 C ATOM 909 OG1 THR A 62 11.911 1.417 -9.860 1.00 0.00 O ATOM 910 CG2 THR A 62 13.362 -0.229 -10.868 1.00 0.00 C ATOM 0 H THR A 62 10.827 0.194 -7.811 1.00 0.00 H new ATOM 0 HA THR A 62 10.732 -0.928 -10.382 1.00 0.00 H new ATOM 0 HB THR A 62 13.100 0.116 -8.777 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.459 1.456 -10.729 1.00 0.00 H new ATOM 0 HG21 THR A 62 14.143 0.524 -10.975 1.00 0.00 H new ATOM 0 HG22 THR A 62 13.819 -1.206 -10.712 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.755 -0.253 -11.773 1.00 0.00 H new ATOM 918 N ALA A 63 12.449 -2.603 -8.115 1.00 0.00 N ATOM 919 CA ALA A 63 13.072 -3.889 -7.825 1.00 0.00 C ATOM 920 C ALA A 63 12.029 -4.997 -7.736 1.00 0.00 C ATOM 921 O ALA A 63 12.198 -6.070 -8.317 1.00 0.00 O ATOM 922 CB ALA A 63 13.870 -3.808 -6.531 1.00 0.00 C ATOM 0 H ALA A 63 12.394 -1.971 -7.317 1.00 0.00 H new ATOM 0 HA ALA A 63 13.750 -4.129 -8.644 1.00 0.00 H new ATOM 0 HB1 ALA A 63 14.330 -4.775 -6.326 1.00 0.00 H new ATOM 0 HB2 ALA A 63 14.647 -3.050 -6.630 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.205 -3.541 -5.710 1.00 0.00 H new ATOM 928 N LEU A 64 10.951 -4.732 -7.007 1.00 0.00 N ATOM 929 CA LEU A 64 9.880 -5.708 -6.842 1.00 0.00 C ATOM 930 C LEU A 64 8.870 -5.606 -7.980 1.00 0.00 C ATOM 931 O LEU A 64 7.800 -6.214 -7.933 1.00 0.00 O ATOM 932 CB LEU A 64 9.175 -5.500 -5.500 1.00 0.00 C ATOM 933 CG LEU A 64 10.084 -5.245 -4.297 1.00 0.00 C ATOM 934 CD1 LEU A 64 9.343 -4.463 -3.224 1.00 0.00 C ATOM 935 CD2 LEU A 64 10.607 -6.560 -3.736 1.00 0.00 C ATOM 0 H LEU A 64 10.795 -3.849 -6.521 1.00 0.00 H new ATOM 0 HA LEU A 64 10.324 -6.703 -6.862 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.491 -4.657 -5.598 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.568 -6.381 -5.291 1.00 0.00 H new ATOM 0 HG LEU A 64 10.935 -4.650 -4.628 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.006 -4.291 -2.376 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.018 -3.505 -3.631 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.473 -5.031 -2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.252 -6.360 -2.881 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.768 -7.180 -3.420 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.176 -7.083 -4.505 1.00 0.00 H new ATOM 947 N LYS A 65 9.217 -4.835 -9.005 1.00 0.00 N ATOM 948 CA LYS A 65 8.344 -4.655 -10.159 1.00 0.00 C ATOM 949 C LYS A 65 7.846 -5.999 -10.679 1.00 0.00 C ATOM 950 O LYS A 65 6.660 -6.163 -10.968 1.00 0.00 O ATOM 951 CB LYS A 65 9.082 -3.907 -11.271 1.00 0.00 C ATOM 952 CG LYS A 65 8.592 -4.254 -12.666 1.00 0.00 C ATOM 953 CD LYS A 65 9.478 -3.641 -13.737 1.00 0.00 C ATOM 954 CE LYS A 65 10.671 -4.531 -14.051 1.00 0.00 C ATOM 955 NZ LYS A 65 11.116 -4.385 -15.464 1.00 0.00 N ATOM 0 H LYS A 65 10.098 -4.324 -9.060 1.00 0.00 H new ATOM 0 HA LYS A 65 7.483 -4.066 -9.843 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.970 -2.834 -11.112 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.147 -4.130 -11.203 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.571 -5.337 -12.786 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.569 -3.899 -12.792 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.895 -3.479 -14.644 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.829 -2.664 -13.405 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.496 -4.282 -13.383 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.408 -5.571 -13.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.931 -5.008 -15.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.338 -4.647 -16.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.391 -3.398 -15.641 1.00 0.00 H new ATOM 969 N ASP A 66 8.758 -6.958 -10.795 1.00 0.00 N ATOM 970 CA ASP A 66 8.411 -8.289 -11.278 1.00 0.00 C ATOM 971 C ASP A 66 8.263 -9.267 -10.117 1.00 0.00 C ATOM 972 O ASP A 66 7.653 -10.328 -10.258 1.00 0.00 O ATOM 973 CB ASP A 66 9.474 -8.795 -12.254 1.00 0.00 C ATOM 974 CG ASP A 66 9.286 -8.240 -13.653 1.00 0.00 C ATOM 975 OD1 ASP A 66 8.123 -8.088 -14.079 1.00 0.00 O ATOM 976 OD2 ASP A 66 10.303 -7.959 -14.321 1.00 0.00 O ATOM 0 H ASP A 66 9.744 -6.838 -10.561 1.00 0.00 H new ATOM 0 HA ASP A 66 7.455 -8.221 -11.797 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.462 -8.518 -11.886 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.441 -9.884 -12.291 1.00 0.00 H new ATOM 981 N VAL A 67 8.826 -8.904 -8.969 1.00 0.00 N ATOM 982 CA VAL A 67 8.757 -9.750 -7.782 1.00 0.00 C ATOM 983 C VAL A 67 7.444 -9.543 -7.036 1.00 0.00 C ATOM 984 O VAL A 67 6.613 -10.448 -6.957 1.00 0.00 O ATOM 985 CB VAL A 67 9.929 -9.468 -6.824 1.00 0.00 C ATOM 986 CG1 VAL A 67 10.206 -10.681 -5.948 1.00 0.00 C ATOM 987 CG2 VAL A 67 11.172 -9.070 -7.605 1.00 0.00 C ATOM 0 H VAL A 67 9.335 -8.030 -8.835 1.00 0.00 H new ATOM 0 HA VAL A 67 8.818 -10.783 -8.125 1.00 0.00 H new ATOM 0 HB VAL A 67 9.653 -8.636 -6.176 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.037 -10.463 -5.277 1.00 0.00 H new ATOM 0 HG12 VAL A 67 9.318 -10.916 -5.361 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.461 -11.534 -6.577 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.990 -8.874 -6.912 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.453 -9.879 -8.279 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.965 -8.171 -8.185 1.00 0.00 H new ATOM 997 N VAL A 68 7.262 -8.345 -6.489 1.00 0.00 N ATOM 998 CA VAL A 68 6.049 -8.018 -5.750 1.00 0.00 C ATOM 999 C VAL A 68 5.381 -6.769 -6.314 1.00 0.00 C ATOM 1000 O VAL A 68 6.001 -5.710 -6.410 1.00 0.00 O ATOM 1001 CB VAL A 68 6.345 -7.798 -4.255 1.00 0.00 C ATOM 1002 CG1 VAL A 68 5.071 -7.435 -3.506 1.00 0.00 C ATOM 1003 CG2 VAL A 68 6.993 -9.035 -3.653 1.00 0.00 C ATOM 0 H VAL A 68 7.940 -7.585 -6.544 1.00 0.00 H new ATOM 0 HA VAL A 68 5.374 -8.867 -5.858 1.00 0.00 H new ATOM 0 HB VAL A 68 7.044 -6.967 -4.159 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.300 -7.283 -2.451 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.653 -6.518 -3.922 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.346 -8.243 -3.608 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.195 -8.862 -2.596 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.320 -9.886 -3.759 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.928 -9.245 -4.172 1.00 0.00 H new ATOM 1013 N LYS A 69 4.113 -6.900 -6.687 1.00 0.00 N ATOM 1014 CA LYS A 69 3.358 -5.781 -7.240 1.00 0.00 C ATOM 1015 C LYS A 69 3.268 -4.636 -6.237 1.00 0.00 C ATOM 1016 O LYS A 69 2.426 -4.650 -5.338 1.00 0.00 O ATOM 1017 CB LYS A 69 1.952 -6.236 -7.639 1.00 0.00 C ATOM 1018 CG LYS A 69 1.927 -7.127 -8.869 1.00 0.00 C ATOM 1019 CD LYS A 69 1.970 -6.310 -10.150 1.00 0.00 C ATOM 1020 CE LYS A 69 2.426 -7.152 -11.332 1.00 0.00 C ATOM 1021 NZ LYS A 69 2.741 -6.313 -12.522 1.00 0.00 N ATOM 0 H LYS A 69 3.586 -7.770 -6.617 1.00 0.00 H new ATOM 0 HA LYS A 69 3.883 -5.423 -8.126 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.502 -6.772 -6.803 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.334 -5.358 -7.824 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.777 -7.809 -8.843 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.026 -7.740 -8.857 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.981 -5.899 -10.354 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.646 -5.465 -10.021 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.308 -7.727 -11.049 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.647 -7.869 -11.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.048 -6.924 -13.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.893 -5.783 -12.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.502 -5.646 -12.285 1.00 0.00 H new ATOM 1035 N VAL A 70 4.139 -3.645 -6.397 1.00 0.00 N ATOM 1036 CA VAL A 70 4.156 -2.491 -5.506 1.00 0.00 C ATOM 1037 C VAL A 70 3.310 -1.353 -6.066 1.00 0.00 C ATOM 1038 O VAL A 70 3.779 -0.560 -6.882 1.00 0.00 O ATOM 1039 CB VAL A 70 5.591 -1.983 -5.273 1.00 0.00 C ATOM 1040 CG1 VAL A 70 5.581 -0.738 -4.398 1.00 0.00 C ATOM 1041 CG2 VAL A 70 6.448 -3.075 -4.651 1.00 0.00 C ATOM 0 H VAL A 70 4.842 -3.618 -7.135 1.00 0.00 H new ATOM 0 HA VAL A 70 3.736 -2.819 -4.555 1.00 0.00 H new ATOM 0 HB VAL A 70 6.025 -1.717 -6.237 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.604 -0.393 -4.244 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.004 0.046 -4.888 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.129 -0.974 -3.435 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.459 -2.699 -4.493 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.019 -3.374 -3.695 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.481 -3.936 -5.319 1.00 0.00 H new ATOM 1051 N GLY A 71 2.059 -1.277 -5.622 1.00 0.00 N ATOM 1052 CA GLY A 71 1.167 -0.232 -6.089 1.00 0.00 C ATOM 1053 C GLY A 71 1.206 1.000 -5.207 1.00 0.00 C ATOM 1054 O GLY A 71 2.070 1.124 -4.340 1.00 0.00 O ATOM 0 H GLY A 71 1.647 -1.921 -4.947 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.439 0.045 -7.107 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.148 -0.617 -6.125 1.00 0.00 H new ATOM 1058 N ALA A 72 0.269 1.915 -5.431 1.00 0.00 N ATOM 1059 CA ALA A 72 0.199 3.144 -4.649 1.00 0.00 C ATOM 1060 C ALA A 72 -1.219 3.704 -4.633 1.00 0.00 C ATOM 1061 O ALA A 72 -1.818 3.937 -5.683 1.00 0.00 O ATOM 1062 CB ALA A 72 1.170 4.176 -5.202 1.00 0.00 C ATOM 0 H ALA A 72 -0.452 1.829 -6.147 1.00 0.00 H new ATOM 0 HA ALA A 72 0.480 2.910 -3.622 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.108 5.089 -4.609 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.185 3.782 -5.156 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.914 4.398 -6.238 1.00 0.00 H new ATOM 1068 N VAL A 73 -1.752 3.919 -3.434 1.00 0.00 N ATOM 1069 CA VAL A 73 -3.100 4.453 -3.281 1.00 0.00 C ATOM 1070 C VAL A 73 -3.089 5.754 -2.488 1.00 0.00 C ATOM 1071 O VAL A 73 -2.599 5.801 -1.360 1.00 0.00 O ATOM 1072 CB VAL A 73 -4.027 3.443 -2.578 1.00 0.00 C ATOM 1073 CG1 VAL A 73 -5.159 4.166 -1.864 1.00 0.00 C ATOM 1074 CG2 VAL A 73 -4.573 2.436 -3.578 1.00 0.00 C ATOM 0 H VAL A 73 -1.271 3.731 -2.555 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.480 4.646 -4.284 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.446 2.901 -1.832 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.804 3.437 -1.373 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.744 4.844 -1.118 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.741 4.736 -2.588 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.226 1.730 -3.064 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.139 2.959 -4.349 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.746 1.896 -4.039 1.00 0.00 H new ATOM 1084 N ASN A 74 -3.632 6.810 -3.085 1.00 0.00 N ATOM 1085 CA ASN A 74 -3.685 8.114 -2.434 1.00 0.00 C ATOM 1086 C ASN A 74 -4.730 8.124 -1.322 1.00 0.00 C ATOM 1087 O ASN A 74 -5.889 8.468 -1.549 1.00 0.00 O ATOM 1088 CB ASN A 74 -4.003 9.206 -3.457 1.00 0.00 C ATOM 1089 CG ASN A 74 -4.166 10.570 -2.815 1.00 0.00 C ATOM 1090 OD1 ASN A 74 -3.873 10.751 -1.633 1.00 0.00 O ATOM 1091 ND2 ASN A 74 -4.635 11.538 -3.594 1.00 0.00 N ATOM 0 H ASN A 74 -4.042 6.788 -4.019 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.708 8.312 -1.993 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -3.205 9.249 -4.198 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -4.918 8.946 -3.989 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.765 12.477 -3.218 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -4.865 11.342 -4.568 1.00 0.00 H new ATOM 1098 N ALA A 75 -4.309 7.747 -0.119 1.00 0.00 N ATOM 1099 CA ALA A 75 -5.207 7.715 1.029 1.00 0.00 C ATOM 1100 C ALA A 75 -6.102 8.949 1.060 1.00 0.00 C ATOM 1101 O ALA A 75 -7.287 8.860 1.383 1.00 0.00 O ATOM 1102 CB ALA A 75 -4.409 7.607 2.320 1.00 0.00 C ATOM 0 H ALA A 75 -3.352 7.460 0.086 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.846 6.837 0.935 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.092 7.584 3.169 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.817 6.692 2.306 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.746 8.467 2.411 1.00 0.00 H new ATOM 1108 N ASP A 76 -5.529 10.099 0.723 1.00 0.00 N ATOM 1109 CA ASP A 76 -6.275 11.351 0.711 1.00 0.00 C ATOM 1110 C ASP A 76 -7.427 11.289 -0.288 1.00 0.00 C ATOM 1111 O ASP A 76 -8.556 11.665 0.025 1.00 0.00 O ATOM 1112 CB ASP A 76 -5.349 12.519 0.368 1.00 0.00 C ATOM 1113 CG ASP A 76 -6.072 13.852 0.371 1.00 0.00 C ATOM 1114 OD1 ASP A 76 -6.814 14.122 1.338 1.00 0.00 O ATOM 1115 OD2 ASP A 76 -5.897 14.624 -0.595 1.00 0.00 O ATOM 0 H ASP A 76 -4.549 10.190 0.454 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.690 11.507 1.707 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.529 12.552 1.086 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.906 12.351 -0.614 1.00 0.00 H new ATOM 1120 N LYS A 77 -7.132 10.812 -1.493 1.00 0.00 N ATOM 1121 CA LYS A 77 -8.141 10.699 -2.539 1.00 0.00 C ATOM 1122 C LYS A 77 -9.002 9.457 -2.333 1.00 0.00 C ATOM 1123 O LYS A 77 -10.220 9.552 -2.179 1.00 0.00 O ATOM 1124 CB LYS A 77 -7.475 10.648 -3.916 1.00 0.00 C ATOM 1125 CG LYS A 77 -8.415 10.228 -5.032 1.00 0.00 C ATOM 1126 CD LYS A 77 -7.654 9.669 -6.222 1.00 0.00 C ATOM 1127 CE LYS A 77 -7.087 10.780 -7.093 1.00 0.00 C ATOM 1128 NZ LYS A 77 -6.143 10.254 -8.118 1.00 0.00 N ATOM 0 H LYS A 77 -6.202 10.497 -1.769 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.783 11.578 -2.485 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.065 11.631 -4.148 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.636 9.953 -3.879 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.111 9.477 -4.659 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.010 11.084 -5.349 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -6.843 9.032 -5.870 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.317 9.041 -6.817 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -7.903 11.306 -7.587 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.573 11.507 -6.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.236 10.757 -8.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -5.989 9.238 -7.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -6.544 10.399 -9.066 1.00 0.00 H new ATOM 1142 N HIS A 78 -8.361 8.292 -2.331 1.00 0.00 N ATOM 1143 CA HIS A 78 -9.069 7.031 -2.141 1.00 0.00 C ATOM 1144 C HIS A 78 -9.321 6.766 -0.660 1.00 0.00 C ATOM 1145 O HIS A 78 -9.197 5.634 -0.193 1.00 0.00 O ATOM 1146 CB HIS A 78 -8.270 5.877 -2.749 1.00 0.00 C ATOM 1147 CG HIS A 78 -7.904 6.094 -4.185 1.00 0.00 C ATOM 1148 ND1 HIS A 78 -6.741 5.880 -4.844 1.00 0.00 N flip ATOM 1149 CD2 HIS A 78 -8.787 6.590 -5.121 1.00 0.00 C flip ATOM 1150 CE1 HIS A 78 -6.941 6.246 -6.152 1.00 0.00 C flip ATOM 1151 NE2 HIS A 78 -8.184 6.670 -6.293 1.00 0.00 N flip ATOM 0 H HIS A 78 -7.354 8.195 -2.459 1.00 0.00 H new ATOM 0 HA HIS A 78 -10.032 7.104 -2.647 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -7.359 5.731 -2.168 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -8.852 4.959 -2.665 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -9.812 6.869 -4.926 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -6.202 6.195 -6.938 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -8.606 7.003 -7.160 1.00 0.00 H new ATOM 1160 N GLN A 79 -9.674 7.818 0.072 1.00 0.00 N ATOM 1161 CA GLN A 79 -9.941 7.698 1.501 1.00 0.00 C ATOM 1162 C GLN A 79 -10.744 6.436 1.800 1.00 0.00 C ATOM 1163 O GLN A 79 -10.484 5.742 2.783 1.00 0.00 O ATOM 1164 CB GLN A 79 -10.696 8.929 2.005 1.00 0.00 C ATOM 1165 CG GLN A 79 -9.785 10.056 2.465 1.00 0.00 C ATOM 1166 CD GLN A 79 -9.138 9.772 3.806 1.00 0.00 C ATOM 1167 OE1 GLN A 79 -9.475 8.796 4.477 1.00 0.00 O ATOM 1168 NE2 GLN A 79 -8.202 10.626 4.204 1.00 0.00 N ATOM 0 H GLN A 79 -9.782 8.762 -0.300 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.985 7.630 2.020 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -11.344 9.298 1.210 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -11.342 8.635 2.832 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -9.008 10.218 1.718 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.361 10.979 2.532 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.954 11.422 3.616 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.731 10.486 5.098 1.00 0.00 H new ATOM 1177 N SER A 80 -11.721 6.146 0.947 1.00 0.00 N ATOM 1178 CA SER A 80 -12.565 4.970 1.123 1.00 0.00 C ATOM 1179 C SER A 80 -11.717 3.709 1.265 1.00 0.00 C ATOM 1180 O SER A 80 -11.943 2.892 2.160 1.00 0.00 O ATOM 1181 CB SER A 80 -13.523 4.822 -0.060 1.00 0.00 C ATOM 1182 OG SER A 80 -14.535 5.814 -0.024 1.00 0.00 O ATOM 0 H SER A 80 -11.948 6.709 0.127 1.00 0.00 H new ATOM 0 HA SER A 80 -13.144 5.103 2.037 1.00 0.00 H new ATOM 0 HB2 SER A 80 -12.967 4.899 -0.994 1.00 0.00 H new ATOM 0 HB3 SER A 80 -13.979 3.832 -0.041 1.00 0.00 H new ATOM 0 HG SER A 80 -15.133 5.699 -0.792 1.00 0.00 H new ATOM 1188 N LEU A 81 -10.741 3.557 0.378 1.00 0.00 N ATOM 1189 CA LEU A 81 -9.857 2.396 0.403 1.00 0.00 C ATOM 1190 C LEU A 81 -9.150 2.279 1.749 1.00 0.00 C ATOM 1191 O LEU A 81 -9.422 1.366 2.528 1.00 0.00 O ATOM 1192 CB LEU A 81 -8.825 2.492 -0.722 1.00 0.00 C ATOM 1193 CG LEU A 81 -9.352 2.259 -2.138 1.00 0.00 C ATOM 1194 CD1 LEU A 81 -8.248 2.476 -3.161 1.00 0.00 C ATOM 1195 CD2 LEU A 81 -9.933 0.858 -2.268 1.00 0.00 C ATOM 0 H LEU A 81 -10.541 4.223 -0.368 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.465 1.504 0.254 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.367 3.480 -0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.035 1.767 -0.526 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.146 2.980 -2.332 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.642 2.306 -4.163 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.878 3.498 -3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.432 1.780 -2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.303 0.710 -3.283 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.159 0.122 -2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.754 0.738 -1.561 1.00 0.00 H new ATOM 1207 N GLY A 82 -8.242 3.212 2.018 1.00 0.00 N ATOM 1208 CA GLY A 82 -7.511 3.197 3.272 1.00 0.00 C ATOM 1209 C GLY A 82 -8.405 2.904 4.460 1.00 0.00 C ATOM 1210 O GLY A 82 -8.230 1.895 5.143 1.00 0.00 O ATOM 0 H GLY A 82 -7.999 3.978 1.390 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.723 2.446 3.221 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.024 4.161 3.417 1.00 0.00 H new ATOM 1214 N GLY A 83 -9.365 3.789 4.709 1.00 0.00 N ATOM 1215 CA GLY A 83 -10.274 3.602 5.825 1.00 0.00 C ATOM 1216 C GLY A 83 -10.926 2.234 5.820 1.00 0.00 C ATOM 1217 O GLY A 83 -11.052 1.596 6.865 1.00 0.00 O ATOM 0 H GLY A 83 -9.530 4.632 4.158 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.730 3.738 6.759 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.047 4.370 5.792 1.00 0.00 H new ATOM 1221 N GLN A 84 -11.342 1.783 4.641 1.00 0.00 N ATOM 1222 CA GLN A 84 -11.987 0.482 4.506 1.00 0.00 C ATOM 1223 C GLN A 84 -11.129 -0.617 5.124 1.00 0.00 C ATOM 1224 O GLN A 84 -11.614 -1.715 5.400 1.00 0.00 O ATOM 1225 CB GLN A 84 -12.250 0.171 3.031 1.00 0.00 C ATOM 1226 CG GLN A 84 -12.947 -1.162 2.806 1.00 0.00 C ATOM 1227 CD GLN A 84 -13.639 -1.238 1.459 1.00 0.00 C ATOM 1228 OE1 GLN A 84 -14.861 -1.119 1.369 1.00 0.00 O ATOM 1229 NE2 GLN A 84 -12.859 -1.437 0.403 1.00 0.00 N ATOM 0 H GLN A 84 -11.244 2.299 3.766 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.938 0.518 5.038 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -12.859 0.967 2.603 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -11.302 0.171 2.493 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -12.216 -1.967 2.881 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -13.680 -1.323 3.597 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.851 -1.530 0.524 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.268 -1.497 -0.529 1.00 0.00 H new ATOM 1238 N TYR A 85 -9.854 -0.315 5.339 1.00 0.00 N ATOM 1239 CA TYR A 85 -8.928 -1.279 5.923 1.00 0.00 C ATOM 1240 C TYR A 85 -8.581 -0.900 7.359 1.00 0.00 C ATOM 1241 O TYR A 85 -8.456 -1.763 8.228 1.00 0.00 O ATOM 1242 CB TYR A 85 -7.652 -1.364 5.083 1.00 0.00 C ATOM 1243 CG TYR A 85 -7.811 -2.181 3.821 1.00 0.00 C ATOM 1244 CD1 TYR A 85 -8.605 -1.730 2.774 1.00 0.00 C ATOM 1245 CD2 TYR A 85 -7.167 -3.403 3.675 1.00 0.00 C ATOM 1246 CE1 TYR A 85 -8.754 -2.473 1.619 1.00 0.00 C ATOM 1247 CE2 TYR A 85 -7.309 -4.152 2.523 1.00 0.00 C ATOM 1248 CZ TYR A 85 -8.103 -3.683 1.498 1.00 0.00 C ATOM 1249 OH TYR A 85 -8.248 -4.426 0.349 1.00 0.00 O ATOM 0 H TYR A 85 -9.437 0.589 5.118 1.00 0.00 H new ATOM 0 HA TYR A 85 -9.415 -2.254 5.932 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.335 -0.356 4.816 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -6.856 -1.798 5.689 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -9.115 -0.782 2.865 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.545 -3.774 4.476 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -9.377 -2.109 0.815 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -6.801 -5.100 2.426 1.00 0.00 H new ATOM 0 HH TYR A 85 -7.739 -4.008 -0.377 1.00 0.00 H new ATOM 1259 N GLY A 86 -8.428 0.398 7.602 1.00 0.00 N ATOM 1260 CA GLY A 86 -8.098 0.870 8.934 1.00 0.00 C ATOM 1261 C GLY A 86 -7.168 2.067 8.911 1.00 0.00 C ATOM 1262 O GLY A 86 -7.053 2.792 9.899 1.00 0.00 O ATOM 0 H GLY A 86 -8.527 1.131 6.900 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -9.015 1.136 9.459 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.631 0.062 9.497 1.00 0.00 H new ATOM 1266 N VAL A 87 -6.501 2.275 7.780 1.00 0.00 N ATOM 1267 CA VAL A 87 -5.576 3.392 7.632 1.00 0.00 C ATOM 1268 C VAL A 87 -6.068 4.617 8.395 1.00 0.00 C ATOM 1269 O VAL A 87 -7.157 5.126 8.133 1.00 0.00 O ATOM 1270 CB VAL A 87 -5.380 3.767 6.151 1.00 0.00 C ATOM 1271 CG1 VAL A 87 -4.353 4.880 6.013 1.00 0.00 C ATOM 1272 CG2 VAL A 87 -4.967 2.546 5.343 1.00 0.00 C ATOM 0 H VAL A 87 -6.584 1.684 6.953 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.621 3.069 8.046 1.00 0.00 H new ATOM 0 HB VAL A 87 -6.329 4.131 5.758 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.228 5.131 4.960 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -4.695 5.760 6.558 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.399 4.548 6.422 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.833 2.829 4.299 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.030 2.150 5.735 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.742 1.783 5.415 1.00 0.00 H new ATOM 1282 N GLN A 88 -5.257 5.086 9.337 1.00 0.00 N ATOM 1283 CA GLN A 88 -5.610 6.252 10.138 1.00 0.00 C ATOM 1284 C GLN A 88 -4.486 7.283 10.125 1.00 0.00 C ATOM 1285 O GLN A 88 -4.728 8.481 10.259 1.00 0.00 O ATOM 1286 CB GLN A 88 -5.919 5.835 11.577 1.00 0.00 C ATOM 1287 CG GLN A 88 -4.711 5.296 12.326 1.00 0.00 C ATOM 1288 CD GLN A 88 -4.960 5.161 13.816 1.00 0.00 C ATOM 1289 OE1 GLN A 88 -5.837 4.411 14.244 1.00 0.00 O ATOM 1290 NE2 GLN A 88 -4.188 5.889 14.614 1.00 0.00 N ATOM 0 H GLN A 88 -4.351 4.677 9.564 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.499 6.706 9.700 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -6.318 6.693 12.118 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -6.699 5.074 11.567 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.440 4.323 11.917 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.861 5.959 12.162 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.473 6.498 14.216 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -4.310 5.840 15.625 1.00 0.00 H new ATOM 1299 N GLY A 89 -3.255 6.807 9.962 1.00 0.00 N ATOM 1300 CA GLY A 89 -2.112 7.700 9.935 1.00 0.00 C ATOM 1301 C GLY A 89 -1.089 7.301 8.890 1.00 0.00 C ATOM 1302 O GLY A 89 -0.501 6.222 8.967 1.00 0.00 O ATOM 0 H GLY A 89 -3.029 5.819 9.848 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.453 8.716 9.736 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.639 7.710 10.917 1.00 0.00 H new ATOM 1306 N PHE A 90 -0.876 8.172 7.909 1.00 0.00 N ATOM 1307 CA PHE A 90 0.081 7.904 6.843 1.00 0.00 C ATOM 1308 C PHE A 90 1.454 8.474 7.187 1.00 0.00 C ATOM 1309 O PHE A 90 1.592 9.357 8.034 1.00 0.00 O ATOM 1310 CB PHE A 90 -0.414 8.498 5.523 1.00 0.00 C ATOM 1311 CG PHE A 90 -1.890 8.775 5.506 1.00 0.00 C ATOM 1312 CD1 PHE A 90 -2.787 7.850 6.014 1.00 0.00 C ATOM 1313 CD2 PHE A 90 -2.380 9.962 4.984 1.00 0.00 C ATOM 1314 CE1 PHE A 90 -4.146 8.102 5.999 1.00 0.00 C ATOM 1315 CE2 PHE A 90 -3.737 10.220 4.967 1.00 0.00 C ATOM 1316 CZ PHE A 90 -4.622 9.289 5.477 1.00 0.00 C ATOM 0 H PHE A 90 -1.354 9.070 7.831 1.00 0.00 H new ATOM 0 HA PHE A 90 0.173 6.823 6.736 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.124 9.426 5.327 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -0.172 7.812 4.712 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -2.421 6.922 6.426 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.693 10.694 4.586 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.835 7.371 6.395 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.106 11.148 4.556 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.683 9.489 5.467 1.00 0.00 H new ATOM 1326 N PRO A 91 2.494 7.958 6.516 1.00 0.00 N ATOM 1327 CA PRO A 91 2.342 6.907 5.506 1.00 0.00 C ATOM 1328 C PRO A 91 1.947 5.568 6.119 1.00 0.00 C ATOM 1329 O PRO A 91 2.347 5.242 7.237 1.00 0.00 O ATOM 1330 CB PRO A 91 3.733 6.817 4.875 1.00 0.00 C ATOM 1331 CG PRO A 91 4.661 7.312 5.930 1.00 0.00 C ATOM 1332 CD PRO A 91 3.900 8.362 6.692 1.00 0.00 C ATOM 0 HA PRO A 91 1.550 7.138 4.793 1.00 0.00 H new ATOM 0 HB2 PRO A 91 3.971 5.793 4.587 1.00 0.00 H new ATOM 0 HB3 PRO A 91 3.799 7.425 3.973 1.00 0.00 H new ATOM 0 HG2 PRO A 91 4.972 6.501 6.588 1.00 0.00 H new ATOM 0 HG3 PRO A 91 5.566 7.729 5.489 1.00 0.00 H new ATOM 0 HD2 PRO A 91 4.184 8.380 7.744 1.00 0.00 H new ATOM 0 HD3 PRO A 91 4.084 9.360 6.294 1.00 0.00 H new ATOM 1340 N THR A 92 1.159 4.793 5.380 1.00 0.00 N ATOM 1341 CA THR A 92 0.710 3.489 5.851 1.00 0.00 C ATOM 1342 C THR A 92 0.883 2.425 4.772 1.00 0.00 C ATOM 1343 O THR A 92 0.109 2.365 3.817 1.00 0.00 O ATOM 1344 CB THR A 92 -0.767 3.527 6.285 1.00 0.00 C ATOM 1345 OG1 THR A 92 -0.920 4.373 7.430 1.00 0.00 O ATOM 1346 CG2 THR A 92 -1.272 2.129 6.611 1.00 0.00 C ATOM 0 H THR A 92 0.819 5.046 4.452 1.00 0.00 H new ATOM 0 HA THR A 92 1.328 3.234 6.712 1.00 0.00 H new ATOM 0 HB THR A 92 -1.355 3.925 5.458 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.085 4.861 7.590 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.317 2.181 6.915 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.182 1.495 5.729 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.679 1.708 7.423 1.00 0.00 H new ATOM 1354 N ILE A 93 1.902 1.588 4.933 1.00 0.00 N ATOM 1355 CA ILE A 93 2.175 0.525 3.973 1.00 0.00 C ATOM 1356 C ILE A 93 1.531 -0.787 4.408 1.00 0.00 C ATOM 1357 O ILE A 93 1.685 -1.219 5.550 1.00 0.00 O ATOM 1358 CB ILE A 93 3.689 0.305 3.792 1.00 0.00 C ATOM 1359 CG1 ILE A 93 4.357 1.589 3.296 1.00 0.00 C ATOM 1360 CG2 ILE A 93 3.946 -0.840 2.824 1.00 0.00 C ATOM 1361 CD1 ILE A 93 5.823 1.685 3.656 1.00 0.00 C ATOM 0 H ILE A 93 2.552 1.625 5.718 1.00 0.00 H new ATOM 0 HA ILE A 93 1.745 0.841 3.022 1.00 0.00 H new ATOM 0 HB ILE A 93 4.121 0.042 4.758 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.253 1.648 2.213 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.831 2.447 3.714 1.00 0.00 H new ATOM 0 HG21 ILE A 93 5.020 -0.983 2.707 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.499 -1.754 3.215 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.503 -0.604 1.856 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.231 2.620 3.273 1.00 0.00 H new ATOM 0 HD12 ILE A 93 5.934 1.658 4.740 1.00 0.00 H new ATOM 0 HD13 ILE A 93 6.362 0.846 3.215 1.00 0.00 H new ATOM 1373 N LYS A 94 0.809 -1.418 3.488 1.00 0.00 N ATOM 1374 CA LYS A 94 0.143 -2.683 3.774 1.00 0.00 C ATOM 1375 C LYS A 94 0.640 -3.783 2.841 1.00 0.00 C ATOM 1376 O LYS A 94 0.911 -3.536 1.665 1.00 0.00 O ATOM 1377 CB LYS A 94 -1.373 -2.528 3.634 1.00 0.00 C ATOM 1378 CG LYS A 94 -2.023 -1.814 4.807 1.00 0.00 C ATOM 1379 CD LYS A 94 -2.331 -2.775 5.943 1.00 0.00 C ATOM 1380 CE LYS A 94 -3.151 -2.103 7.034 1.00 0.00 C ATOM 1381 NZ LYS A 94 -3.241 -2.946 8.258 1.00 0.00 N ATOM 0 H LYS A 94 0.670 -1.074 2.538 1.00 0.00 H new ATOM 0 HA LYS A 94 0.380 -2.966 4.800 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.590 -1.977 2.719 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.822 -3.515 3.526 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.362 -1.025 5.166 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.943 -1.333 4.477 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.875 -3.636 5.555 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.399 -3.151 6.366 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.702 -1.143 7.287 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.154 -1.897 6.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -3.808 -2.454 8.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.693 -3.853 8.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.286 -3.121 8.630 1.00 0.00 H new ATOM 1395 N ILE A 95 0.756 -4.995 3.371 1.00 0.00 N ATOM 1396 CA ILE A 95 1.218 -6.132 2.585 1.00 0.00 C ATOM 1397 C ILE A 95 0.066 -7.074 2.251 1.00 0.00 C ATOM 1398 O ILE A 95 -0.729 -7.432 3.120 1.00 0.00 O ATOM 1399 CB ILE A 95 2.314 -6.921 3.325 1.00 0.00 C ATOM 1400 CG1 ILE A 95 3.519 -6.021 3.606 1.00 0.00 C ATOM 1401 CG2 ILE A 95 2.732 -8.138 2.513 1.00 0.00 C ATOM 1402 CD1 ILE A 95 4.279 -6.401 4.858 1.00 0.00 C ATOM 0 H ILE A 95 0.536 -5.215 4.342 1.00 0.00 H new ATOM 0 HA ILE A 95 1.634 -5.729 1.662 1.00 0.00 H new ATOM 0 HB ILE A 95 1.912 -7.266 4.278 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.197 -6.059 2.754 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.178 -4.990 3.697 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.507 -8.685 3.050 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.870 -8.787 2.360 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.119 -7.815 1.546 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.119 -5.720 4.994 1.00 0.00 H new ATOM 0 HD12 ILE A 95 3.616 -6.335 5.720 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.650 -7.421 4.763 1.00 0.00 H new ATOM 1414 N PHE A 96 -0.016 -7.475 0.987 1.00 0.00 N ATOM 1415 CA PHE A 96 -1.070 -8.377 0.538 1.00 0.00 C ATOM 1416 C PHE A 96 -0.483 -9.693 0.037 1.00 0.00 C ATOM 1417 O PHE A 96 0.388 -9.706 -0.832 1.00 0.00 O ATOM 1418 CB PHE A 96 -1.895 -7.719 -0.570 1.00 0.00 C ATOM 1419 CG PHE A 96 -2.864 -6.689 -0.065 1.00 0.00 C ATOM 1420 CD1 PHE A 96 -2.419 -5.442 0.343 1.00 0.00 C ATOM 1421 CD2 PHE A 96 -4.220 -6.967 0.002 1.00 0.00 C ATOM 1422 CE1 PHE A 96 -3.308 -4.491 0.808 1.00 0.00 C ATOM 1423 CE2 PHE A 96 -5.113 -6.020 0.465 1.00 0.00 C ATOM 1424 CZ PHE A 96 -4.657 -4.781 0.870 1.00 0.00 C ATOM 0 H PHE A 96 0.635 -7.190 0.255 1.00 0.00 H new ATOM 0 HA PHE A 96 -1.719 -8.589 1.388 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -1.219 -7.250 -1.286 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -2.445 -8.490 -1.109 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -1.365 -5.210 0.297 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -4.583 -7.935 -0.311 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -2.948 -3.522 1.122 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -6.168 -6.249 0.510 1.00 0.00 H new ATOM 0 HZ PHE A 96 -5.354 -4.040 1.234 1.00 0.00 H new ATOM 1434 N GLY A 97 -0.966 -10.800 0.594 1.00 0.00 N ATOM 1435 CA GLY A 97 -0.478 -12.106 0.193 1.00 0.00 C ATOM 1436 C GLY A 97 -1.377 -13.231 0.665 1.00 0.00 C ATOM 1437 O GLY A 97 -2.378 -13.546 0.022 1.00 0.00 O ATOM 0 H GLY A 97 -1.687 -10.815 1.316 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.396 -12.142 -0.893 1.00 0.00 H new ATOM 0 HA3 GLY A 97 0.525 -12.254 0.593 1.00 0.00 H new ATOM 1441 N ALA A 98 -1.019 -13.840 1.790 1.00 0.00 N ATOM 1442 CA ALA A 98 -1.801 -14.937 2.348 1.00 0.00 C ATOM 1443 C ALA A 98 -3.292 -14.722 2.113 1.00 0.00 C ATOM 1444 O ALA A 98 -3.946 -15.520 1.442 1.00 0.00 O ATOM 1445 CB ALA A 98 -1.515 -15.087 3.835 1.00 0.00 C ATOM 0 H ALA A 98 -0.192 -13.593 2.334 1.00 0.00 H new ATOM 0 HA ALA A 98 -1.508 -15.855 1.839 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -2.106 -15.910 4.238 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.455 -15.295 3.983 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -1.779 -14.164 4.351 1.00 0.00 H new ATOM 1451 N ASN A 99 -3.825 -13.640 2.671 1.00 0.00 N ATOM 1452 CA ASN A 99 -5.240 -13.321 2.523 1.00 0.00 C ATOM 1453 C ASN A 99 -5.425 -11.924 1.940 1.00 0.00 C ATOM 1454 O ASN A 99 -5.141 -10.922 2.596 1.00 0.00 O ATOM 1455 CB ASN A 99 -5.950 -13.419 3.875 1.00 0.00 C ATOM 1456 CG ASN A 99 -7.460 -13.383 3.739 1.00 0.00 C ATOM 1457 OD1 ASN A 99 -8.113 -12.607 4.596 1.00 0.00 O flip ATOM 1458 ND2 ASN A 99 -8.033 -14.045 2.873 1.00 0.00 N flip ATOM 0 H ASN A 99 -3.298 -12.969 3.230 1.00 0.00 H new ATOM 0 HA ASN A 99 -5.679 -14.043 1.835 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -5.655 -14.343 4.371 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.626 -12.597 4.513 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -7.491 -14.628 2.235 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -9.049 -14.010 2.794 1.00 0.00 H new ATOM 1465 N LYS A 100 -5.904 -11.865 0.702 1.00 0.00 N ATOM 1466 CA LYS A 100 -6.130 -10.591 0.028 1.00 0.00 C ATOM 1467 C LYS A 100 -7.250 -9.809 0.705 1.00 0.00 C ATOM 1468 O LYS A 100 -7.355 -8.593 0.545 1.00 0.00 O ATOM 1469 CB LYS A 100 -6.474 -10.824 -1.445 1.00 0.00 C ATOM 1470 CG LYS A 100 -5.269 -11.161 -2.305 1.00 0.00 C ATOM 1471 CD LYS A 100 -4.239 -10.044 -2.285 1.00 0.00 C ATOM 1472 CE LYS A 100 -3.159 -10.262 -3.334 1.00 0.00 C ATOM 1473 NZ LYS A 100 -2.281 -11.416 -2.995 1.00 0.00 N ATOM 0 H LYS A 100 -6.143 -12.685 0.144 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.212 -10.006 0.092 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.199 -11.635 -1.516 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.955 -9.931 -1.843 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.813 -12.084 -1.948 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.592 -11.341 -3.330 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.733 -9.089 -2.463 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.782 -9.987 -1.297 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.625 -10.433 -4.305 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.554 -9.360 -3.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.348 -11.284 -3.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -2.171 -11.477 -1.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.710 -12.295 -3.350 1.00 0.00 H new ATOM 1487 N ASN A 101 -8.084 -10.513 1.463 1.00 0.00 N ATOM 1488 CA ASN A 101 -9.196 -9.884 2.166 1.00 0.00 C ATOM 1489 C ASN A 101 -8.710 -9.168 3.423 1.00 0.00 C ATOM 1490 O ASN A 101 -9.290 -8.167 3.844 1.00 0.00 O ATOM 1491 CB ASN A 101 -10.250 -10.929 2.536 1.00 0.00 C ATOM 1492 CG ASN A 101 -11.092 -11.348 1.346 1.00 0.00 C ATOM 1493 OD1 ASN A 101 -12.262 -10.979 1.239 1.00 0.00 O ATOM 1494 ND2 ASN A 101 -10.499 -12.123 0.446 1.00 0.00 N ATOM 0 H ASN A 101 -8.011 -11.520 1.606 1.00 0.00 H new ATOM 0 HA ASN A 101 -9.644 -9.147 1.500 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -9.757 -11.806 2.955 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -10.899 -10.527 3.313 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -11.015 -12.437 -0.376 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -9.527 -12.404 0.576 1.00 0.00 H new ATOM 1501 N LYS A 102 -7.641 -9.687 4.017 1.00 0.00 N ATOM 1502 CA LYS A 102 -7.075 -9.098 5.224 1.00 0.00 C ATOM 1503 C LYS A 102 -5.555 -9.009 5.125 1.00 0.00 C ATOM 1504 O LYS A 102 -4.834 -9.973 5.385 1.00 0.00 O ATOM 1505 CB LYS A 102 -7.468 -9.923 6.452 1.00 0.00 C ATOM 1506 CG LYS A 102 -8.939 -10.299 6.486 1.00 0.00 C ATOM 1507 CD LYS A 102 -9.295 -11.044 7.761 1.00 0.00 C ATOM 1508 CE LYS A 102 -9.129 -12.547 7.593 1.00 0.00 C ATOM 1509 NZ LYS A 102 -10.382 -13.193 7.113 1.00 0.00 N ATOM 0 H LYS A 102 -7.149 -10.515 3.682 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.475 -8.089 5.328 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -6.868 -10.833 6.475 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -7.225 -9.358 7.352 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -9.548 -9.398 6.408 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.177 -10.920 5.622 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -8.661 -10.696 8.576 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -10.325 -10.819 8.040 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -8.324 -12.747 6.886 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -8.834 -12.989 8.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -10.228 -14.216 7.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -11.145 -13.024 7.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -10.650 -12.790 6.192 1.00 0.00 H new ATOM 1523 N PRO A 103 -5.055 -7.826 4.740 1.00 0.00 N ATOM 1524 CA PRO A 103 -3.616 -7.582 4.600 1.00 0.00 C ATOM 1525 C PRO A 103 -2.898 -7.560 5.944 1.00 0.00 C ATOM 1526 O PRO A 103 -3.505 -7.803 6.986 1.00 0.00 O ATOM 1527 CB PRO A 103 -3.553 -6.204 3.936 1.00 0.00 C ATOM 1528 CG PRO A 103 -4.828 -5.539 4.322 1.00 0.00 C ATOM 1529 CD PRO A 103 -5.855 -6.633 4.414 1.00 0.00 C ATOM 0 HA PRO A 103 -3.123 -8.368 4.029 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -2.690 -5.636 4.283 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -3.463 -6.290 2.853 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -4.724 -5.020 5.275 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -5.118 -4.793 3.582 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -6.597 -6.424 5.185 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.396 -6.756 3.476 1.00 0.00 H new ATOM 1537 N GLU A 104 -1.602 -7.265 5.913 1.00 0.00 N ATOM 1538 CA GLU A 104 -0.802 -7.212 7.131 1.00 0.00 C ATOM 1539 C GLU A 104 -0.101 -5.862 7.263 1.00 0.00 C ATOM 1540 O GLU A 104 0.202 -5.208 6.265 1.00 0.00 O ATOM 1541 CB GLU A 104 0.233 -8.339 7.138 1.00 0.00 C ATOM 1542 CG GLU A 104 0.512 -8.917 5.761 1.00 0.00 C ATOM 1543 CD GLU A 104 -0.368 -10.109 5.439 1.00 0.00 C ATOM 1544 OE1 GLU A 104 -0.899 -10.726 6.387 1.00 0.00 O ATOM 1545 OE2 GLU A 104 -0.525 -10.425 4.242 1.00 0.00 O ATOM 0 H GLU A 104 -1.084 -7.059 5.059 1.00 0.00 H new ATOM 0 HA GLU A 104 -1.472 -7.339 7.981 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.165 -7.963 7.561 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.115 -9.137 7.794 1.00 0.00 H new ATOM 0 HG2 GLU A 104 0.359 -8.143 5.009 1.00 0.00 H new ATOM 0 HG3 GLU A 104 1.558 -9.216 5.702 1.00 0.00 H new ATOM 1552 N ASP A 105 0.152 -5.452 8.501 1.00 0.00 N ATOM 1553 CA ASP A 105 0.818 -4.182 8.764 1.00 0.00 C ATOM 1554 C ASP A 105 2.290 -4.247 8.371 1.00 0.00 C ATOM 1555 O ASP A 105 3.012 -5.159 8.777 1.00 0.00 O ATOM 1556 CB ASP A 105 0.688 -3.811 10.242 1.00 0.00 C ATOM 1557 CG ASP A 105 0.642 -2.311 10.461 1.00 0.00 C ATOM 1558 OD1 ASP A 105 1.700 -1.660 10.332 1.00 0.00 O ATOM 1559 OD2 ASP A 105 -0.452 -1.789 10.760 1.00 0.00 O ATOM 0 H ASP A 105 -0.094 -5.981 9.338 1.00 0.00 H new ATOM 0 HA ASP A 105 0.334 -3.415 8.160 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -0.217 -4.262 10.649 1.00 0.00 H new ATOM 0 HB3 ASP A 105 1.529 -4.230 10.794 1.00 0.00 H new ATOM 1564 N TYR A 106 2.729 -3.276 7.577 1.00 0.00 N ATOM 1565 CA TYR A 106 4.114 -3.226 7.126 1.00 0.00 C ATOM 1566 C TYR A 106 5.038 -2.775 8.253 1.00 0.00 C ATOM 1567 O TYR A 106 5.195 -1.579 8.499 1.00 0.00 O ATOM 1568 CB TYR A 106 4.249 -2.280 5.931 1.00 0.00 C ATOM 1569 CG TYR A 106 5.667 -2.142 5.425 1.00 0.00 C ATOM 1570 CD1 TYR A 106 6.531 -1.199 5.969 1.00 0.00 C ATOM 1571 CD2 TYR A 106 6.143 -2.953 4.403 1.00 0.00 C ATOM 1572 CE1 TYR A 106 7.827 -1.068 5.509 1.00 0.00 C ATOM 1573 CE2 TYR A 106 7.438 -2.831 3.938 1.00 0.00 C ATOM 1574 CZ TYR A 106 8.276 -1.887 4.494 1.00 0.00 C ATOM 1575 OH TYR A 106 9.566 -1.761 4.033 1.00 0.00 O ATOM 0 H TYR A 106 2.145 -2.513 7.233 1.00 0.00 H new ATOM 0 HA TYR A 106 4.407 -4.231 6.821 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.616 -2.640 5.120 1.00 0.00 H new ATOM 0 HB3 TYR A 106 3.876 -1.296 6.214 1.00 0.00 H new ATOM 0 HD1 TYR A 106 6.183 -0.558 6.765 1.00 0.00 H new ATOM 0 HD2 TYR A 106 5.489 -3.692 3.964 1.00 0.00 H new ATOM 0 HE1 TYR A 106 8.485 -0.329 5.942 1.00 0.00 H new ATOM 0 HE2 TYR A 106 7.792 -3.471 3.144 1.00 0.00 H new ATOM 0 HH TYR A 106 9.949 -0.920 4.360 1.00 0.00 H new ATOM 1585 N GLN A 107 5.647 -3.741 8.932 1.00 0.00 N ATOM 1586 CA GLN A 107 6.556 -3.444 10.033 1.00 0.00 C ATOM 1587 C GLN A 107 8.010 -3.579 9.590 1.00 0.00 C ATOM 1588 O GLN A 107 8.692 -4.537 9.951 1.00 0.00 O ATOM 1589 CB GLN A 107 6.282 -4.376 11.214 1.00 0.00 C ATOM 1590 CG GLN A 107 4.872 -4.255 11.770 1.00 0.00 C ATOM 1591 CD GLN A 107 4.523 -5.379 12.726 1.00 0.00 C ATOM 1592 OE1 GLN A 107 5.389 -5.906 13.425 1.00 0.00 O ATOM 1593 NE2 GLN A 107 3.250 -5.751 12.763 1.00 0.00 N ATOM 0 H GLN A 107 5.528 -4.736 8.740 1.00 0.00 H new ATOM 0 HA GLN A 107 6.384 -2.414 10.345 1.00 0.00 H new ATOM 0 HB2 GLN A 107 6.453 -5.406 10.901 1.00 0.00 H new ATOM 0 HB3 GLN A 107 6.997 -4.162 12.009 1.00 0.00 H new ATOM 0 HG2 GLN A 107 4.769 -3.300 12.285 1.00 0.00 H new ATOM 0 HG3 GLN A 107 4.159 -4.250 10.945 1.00 0.00 H new ATOM 0 HE21 GLN A 107 2.565 -5.287 12.166 1.00 0.00 H new ATOM 0 HE22 GLN A 107 2.956 -6.501 13.388 1.00 0.00 H new ATOM 1602 N GLY A 108 8.477 -2.612 8.806 1.00 0.00 N ATOM 1603 CA GLY A 108 9.846 -2.642 8.327 1.00 0.00 C ATOM 1604 C GLY A 108 10.330 -1.280 7.868 1.00 0.00 C ATOM 1605 O GLY A 108 9.567 -0.315 7.854 1.00 0.00 O ATOM 0 H GLY A 108 7.931 -1.809 8.494 1.00 0.00 H new ATOM 0 HA2 GLY A 108 10.498 -3.007 9.121 1.00 0.00 H new ATOM 0 HA3 GLY A 108 9.923 -3.349 7.501 1.00 0.00 H new ATOM 1609 N GLY A 109 11.603 -1.202 7.494 1.00 0.00 N ATOM 1610 CA GLY A 109 12.166 0.056 7.039 1.00 0.00 C ATOM 1611 C GLY A 109 11.415 0.634 5.856 1.00 0.00 C ATOM 1612 O GLY A 109 11.114 -0.076 4.897 1.00 0.00 O ATOM 0 H GLY A 109 12.254 -1.987 7.498 1.00 0.00 H new ATOM 0 HA2 GLY A 109 12.153 0.774 7.859 1.00 0.00 H new ATOM 0 HA3 GLY A 109 13.210 -0.095 6.764 1.00 0.00 H new ATOM 1616 N ARG A 110 11.110 1.926 5.924 1.00 0.00 N ATOM 1617 CA ARG A 110 10.387 2.598 4.851 1.00 0.00 C ATOM 1618 C ARG A 110 11.354 3.184 3.828 1.00 0.00 C ATOM 1619 O ARG A 110 11.283 4.368 3.496 1.00 0.00 O ATOM 1620 CB ARG A 110 9.498 3.705 5.422 1.00 0.00 C ATOM 1621 CG ARG A 110 8.109 3.229 5.813 1.00 0.00 C ATOM 1622 CD ARG A 110 7.403 4.242 6.701 1.00 0.00 C ATOM 1623 NE ARG A 110 6.316 3.636 7.465 1.00 0.00 N ATOM 1624 CZ ARG A 110 5.835 4.149 8.593 1.00 0.00 C ATOM 1625 NH1 ARG A 110 6.343 5.271 9.084 1.00 0.00 N ATOM 1626 NH2 ARG A 110 4.844 3.539 9.231 1.00 0.00 N ATOM 0 H ARG A 110 11.352 2.528 6.711 1.00 0.00 H new ATOM 0 HA ARG A 110 9.760 1.860 4.351 1.00 0.00 H new ATOM 0 HB2 ARG A 110 9.985 4.136 6.297 1.00 0.00 H new ATOM 0 HB3 ARG A 110 9.406 4.502 4.684 1.00 0.00 H new ATOM 0 HG2 ARG A 110 7.516 3.055 4.915 1.00 0.00 H new ATOM 0 HG3 ARG A 110 8.184 2.275 6.335 1.00 0.00 H new ATOM 0 HD2 ARG A 110 8.124 4.687 7.387 1.00 0.00 H new ATOM 0 HD3 ARG A 110 7.007 5.050 6.086 1.00 0.00 H new ATOM 0 HE ARG A 110 5.903 2.772 7.114 1.00 0.00 H new ATOM 0 HH11 ARG A 110 7.105 5.742 8.596 1.00 0.00 H new ATOM 0 HH12 ARG A 110 5.972 5.663 9.950 1.00 0.00 H new ATOM 0 HH21 ARG A 110 4.451 2.676 8.856 1.00 0.00 H new ATOM 0 HH22 ARG A 110 4.476 3.933 10.097 1.00 0.00 H new ATOM 1640 N THR A 111 12.260 2.348 3.329 1.00 0.00 N ATOM 1641 CA THR A 111 13.243 2.783 2.345 1.00 0.00 C ATOM 1642 C THR A 111 13.262 1.852 1.139 1.00 0.00 C ATOM 1643 O THR A 111 13.133 0.636 1.278 1.00 0.00 O ATOM 1644 CB THR A 111 14.657 2.847 2.953 1.00 0.00 C ATOM 1645 OG1 THR A 111 14.944 1.631 3.653 1.00 0.00 O ATOM 1646 CG2 THR A 111 14.784 4.028 3.904 1.00 0.00 C ATOM 0 H THR A 111 12.333 1.365 3.591 1.00 0.00 H new ATOM 0 HA THR A 111 12.948 3.782 2.024 1.00 0.00 H new ATOM 0 HB THR A 111 15.373 2.976 2.141 1.00 0.00 H new ATOM 0 HG1 THR A 111 15.845 1.678 4.035 1.00 0.00 H new ATOM 0 HG21 THR A 111 15.791 4.053 4.321 1.00 0.00 H new ATOM 0 HG22 THR A 111 14.593 4.954 3.362 1.00 0.00 H new ATOM 0 HG23 THR A 111 14.059 3.924 4.712 1.00 0.00 H new ATOM 1654 N GLY A 112 13.426 2.430 -0.047 1.00 0.00 N ATOM 1655 CA GLY A 112 13.460 1.636 -1.262 1.00 0.00 C ATOM 1656 C GLY A 112 14.232 0.344 -1.088 1.00 0.00 C ATOM 1657 O GLY A 112 13.943 -0.653 -1.748 1.00 0.00 O ATOM 0 H GLY A 112 13.536 3.434 -0.188 1.00 0.00 H new ATOM 0 HA2 GLY A 112 12.440 1.407 -1.572 1.00 0.00 H new ATOM 0 HA3 GLY A 112 13.913 2.221 -2.062 1.00 0.00 H new ATOM 1661 N GLU A 113 15.219 0.361 -0.197 1.00 0.00 N ATOM 1662 CA GLU A 113 16.037 -0.819 0.059 1.00 0.00 C ATOM 1663 C GLU A 113 15.333 -1.770 1.023 1.00 0.00 C ATOM 1664 O GLU A 113 15.148 -2.949 0.724 1.00 0.00 O ATOM 1665 CB GLU A 113 17.396 -0.410 0.630 1.00 0.00 C ATOM 1666 CG GLU A 113 17.843 0.978 0.203 1.00 0.00 C ATOM 1667 CD GLU A 113 19.352 1.118 0.159 1.00 0.00 C ATOM 1668 OE1 GLU A 113 20.008 0.798 1.173 1.00 0.00 O ATOM 1669 OE2 GLU A 113 19.878 1.546 -0.890 1.00 0.00 O ATOM 0 H GLU A 113 15.471 1.178 0.359 1.00 0.00 H new ATOM 0 HA GLU A 113 16.190 -1.337 -0.888 1.00 0.00 H new ATOM 0 HB2 GLU A 113 17.350 -0.449 1.718 1.00 0.00 H new ATOM 0 HB3 GLU A 113 18.146 -1.136 0.317 1.00 0.00 H new ATOM 0 HG2 GLU A 113 17.433 1.201 -0.782 1.00 0.00 H new ATOM 0 HG3 GLU A 113 17.434 1.716 0.893 1.00 0.00 H new ATOM 1676 N ALA A 114 14.944 -1.248 2.182 1.00 0.00 N ATOM 1677 CA ALA A 114 14.260 -2.049 3.189 1.00 0.00 C ATOM 1678 C ALA A 114 13.032 -2.736 2.603 1.00 0.00 C ATOM 1679 O ALA A 114 12.852 -3.944 2.758 1.00 0.00 O ATOM 1680 CB ALA A 114 13.866 -1.181 4.375 1.00 0.00 C ATOM 0 H ALA A 114 15.091 -0.274 2.446 1.00 0.00 H new ATOM 0 HA ALA A 114 14.948 -2.822 3.531 1.00 0.00 H new ATOM 0 HB1 ALA A 114 13.356 -1.792 5.120 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.760 -0.741 4.817 1.00 0.00 H new ATOM 0 HB3 ALA A 114 13.199 -0.387 4.039 1.00 0.00 H new ATOM 1686 N ILE A 115 12.190 -1.960 1.929 1.00 0.00 N ATOM 1687 CA ILE A 115 10.979 -2.495 1.319 1.00 0.00 C ATOM 1688 C ILE A 115 11.285 -3.734 0.485 1.00 0.00 C ATOM 1689 O ILE A 115 10.612 -4.758 0.604 1.00 0.00 O ATOM 1690 CB ILE A 115 10.287 -1.447 0.428 1.00 0.00 C ATOM 1691 CG1 ILE A 115 9.999 -0.175 1.227 1.00 0.00 C ATOM 1692 CG2 ILE A 115 9.002 -2.014 -0.156 1.00 0.00 C ATOM 1693 CD1 ILE A 115 10.031 1.085 0.391 1.00 0.00 C ATOM 0 H ILE A 115 12.324 -0.958 1.791 1.00 0.00 H new ATOM 0 HA ILE A 115 10.308 -2.766 2.134 1.00 0.00 H new ATOM 0 HB ILE A 115 10.956 -1.193 -0.394 1.00 0.00 H new ATOM 0 HG12 ILE A 115 9.019 -0.265 1.697 1.00 0.00 H new ATOM 0 HG13 ILE A 115 10.731 -0.087 2.030 1.00 0.00 H new ATOM 0 HG21 ILE A 115 8.524 -1.261 -0.783 1.00 0.00 H new ATOM 0 HG22 ILE A 115 9.233 -2.894 -0.757 1.00 0.00 H new ATOM 0 HG23 ILE A 115 8.327 -2.293 0.653 1.00 0.00 H new ATOM 0 HD11 ILE A 115 9.818 1.947 1.023 1.00 0.00 H new ATOM 0 HD12 ILE A 115 11.018 1.199 -0.058 1.00 0.00 H new ATOM 0 HD13 ILE A 115 9.280 1.018 -0.396 1.00 0.00 H new ATOM 1705 N VAL A 116 12.307 -3.634 -0.360 1.00 0.00 N ATOM 1706 CA VAL A 116 12.705 -4.748 -1.212 1.00 0.00 C ATOM 1707 C VAL A 116 12.885 -6.025 -0.400 1.00 0.00 C ATOM 1708 O VAL A 116 12.510 -7.111 -0.841 1.00 0.00 O ATOM 1709 CB VAL A 116 14.015 -4.440 -1.962 1.00 0.00 C ATOM 1710 CG1 VAL A 116 14.591 -5.708 -2.574 1.00 0.00 C ATOM 1711 CG2 VAL A 116 13.782 -3.381 -3.029 1.00 0.00 C ATOM 0 H VAL A 116 12.874 -2.793 -0.472 1.00 0.00 H new ATOM 0 HA VAL A 116 11.905 -4.893 -1.938 1.00 0.00 H new ATOM 0 HB VAL A 116 14.739 -4.049 -1.247 1.00 0.00 H new ATOM 0 HG11 VAL A 116 15.516 -5.471 -3.100 1.00 0.00 H new ATOM 0 HG12 VAL A 116 14.797 -6.432 -1.785 1.00 0.00 H new ATOM 0 HG13 VAL A 116 13.873 -6.132 -3.276 1.00 0.00 H new ATOM 0 HG21 VAL A 116 14.718 -3.176 -3.549 1.00 0.00 H new ATOM 0 HG22 VAL A 116 13.042 -3.741 -3.743 1.00 0.00 H new ATOM 0 HG23 VAL A 116 13.419 -2.466 -2.561 1.00 0.00 H new ATOM 1721 N ASP A 117 13.462 -5.887 0.789 1.00 0.00 N ATOM 1722 CA ASP A 117 13.691 -7.030 1.665 1.00 0.00 C ATOM 1723 C ASP A 117 12.382 -7.511 2.284 1.00 0.00 C ATOM 1724 O ASP A 117 12.170 -8.711 2.456 1.00 0.00 O ATOM 1725 CB ASP A 117 14.687 -6.665 2.766 1.00 0.00 C ATOM 1726 CG ASP A 117 15.440 -7.871 3.290 1.00 0.00 C ATOM 1727 OD1 ASP A 117 14.843 -8.968 3.340 1.00 0.00 O ATOM 1728 OD2 ASP A 117 16.626 -7.720 3.651 1.00 0.00 O ATOM 0 H ASP A 117 13.780 -4.995 1.168 1.00 0.00 H new ATOM 0 HA ASP A 117 14.107 -7.839 1.064 1.00 0.00 H new ATOM 0 HB2 ASP A 117 15.399 -5.936 2.380 1.00 0.00 H new ATOM 0 HB3 ASP A 117 14.155 -6.187 3.589 1.00 0.00 H new ATOM 1733 N ALA A 118 11.509 -6.567 2.617 1.00 0.00 N ATOM 1734 CA ALA A 118 10.221 -6.894 3.216 1.00 0.00 C ATOM 1735 C ALA A 118 9.344 -7.673 2.241 1.00 0.00 C ATOM 1736 O ALA A 118 8.788 -8.714 2.588 1.00 0.00 O ATOM 1737 CB ALA A 118 9.512 -5.626 3.670 1.00 0.00 C ATOM 0 H ALA A 118 11.670 -5.569 2.482 1.00 0.00 H new ATOM 0 HA ALA A 118 10.403 -7.526 4.085 1.00 0.00 H new ATOM 0 HB1 ALA A 118 8.552 -5.886 4.115 1.00 0.00 H new ATOM 0 HB2 ALA A 118 10.126 -5.110 4.408 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.350 -4.973 2.812 1.00 0.00 H new ATOM 1743 N ALA A 119 9.225 -7.160 1.021 1.00 0.00 N ATOM 1744 CA ALA A 119 8.417 -7.808 -0.004 1.00 0.00 C ATOM 1745 C ALA A 119 8.878 -9.242 -0.242 1.00 0.00 C ATOM 1746 O ALA A 119 8.065 -10.165 -0.306 1.00 0.00 O ATOM 1747 CB ALA A 119 8.471 -7.013 -1.300 1.00 0.00 C ATOM 0 H ALA A 119 9.678 -6.298 0.719 1.00 0.00 H new ATOM 0 HA ALA A 119 7.386 -7.839 0.348 1.00 0.00 H new ATOM 0 HB1 ALA A 119 7.863 -7.509 -2.057 1.00 0.00 H new ATOM 0 HB2 ALA A 119 8.086 -6.008 -1.127 1.00 0.00 H new ATOM 0 HB3 ALA A 119 9.503 -6.952 -1.647 1.00 0.00 H new ATOM 1753 N LEU A 120 10.188 -9.423 -0.374 1.00 0.00 N ATOM 1754 CA LEU A 120 10.758 -10.746 -0.605 1.00 0.00 C ATOM 1755 C LEU A 120 10.468 -11.677 0.567 1.00 0.00 C ATOM 1756 O LEU A 120 9.849 -12.728 0.400 1.00 0.00 O ATOM 1757 CB LEU A 120 12.268 -10.640 -0.826 1.00 0.00 C ATOM 1758 CG LEU A 120 12.713 -9.872 -2.071 1.00 0.00 C ATOM 1759 CD1 LEU A 120 14.084 -9.252 -1.855 1.00 0.00 C ATOM 1760 CD2 LEU A 120 12.725 -10.789 -3.286 1.00 0.00 C ATOM 0 H LEU A 120 10.875 -8.671 -0.325 1.00 0.00 H new ATOM 0 HA LEU A 120 10.294 -11.163 -1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 120 12.710 -10.162 0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 120 12.679 -11.648 -0.880 1.00 0.00 H new ATOM 0 HG LEU A 120 11.999 -9.068 -2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 120 14.383 -8.710 -2.752 1.00 0.00 H new ATOM 0 HD12 LEU A 120 14.043 -8.563 -1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 120 14.810 -10.038 -1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 120 13.044 -10.226 -4.163 1.00 0.00 H new ATOM 0 HD22 LEU A 120 13.416 -11.614 -3.113 1.00 0.00 H new ATOM 0 HD23 LEU A 120 11.723 -11.185 -3.453 1.00 0.00 H new ATOM 1772 N SER A 121 10.917 -11.283 1.755 1.00 0.00 N ATOM 1773 CA SER A 121 10.707 -12.083 2.956 1.00 0.00 C ATOM 1774 C SER A 121 9.265 -12.574 3.036 1.00 0.00 C ATOM 1775 O SER A 121 9.010 -13.741 3.329 1.00 0.00 O ATOM 1776 CB SER A 121 11.050 -11.268 4.204 1.00 0.00 C ATOM 1777 OG SER A 121 11.463 -12.110 5.266 1.00 0.00 O ATOM 0 H SER A 121 11.429 -10.414 1.911 1.00 0.00 H new ATOM 0 HA SER A 121 11.366 -12.950 2.905 1.00 0.00 H new ATOM 0 HB2 SER A 121 11.842 -10.556 3.971 1.00 0.00 H new ATOM 0 HB3 SER A 121 10.181 -10.687 4.513 1.00 0.00 H new ATOM 0 HG SER A 121 11.678 -11.565 6.051 1.00 0.00 H new ATOM 1783 N ALA A 122 8.324 -11.672 2.773 1.00 0.00 N ATOM 1784 CA ALA A 122 6.907 -12.012 2.813 1.00 0.00 C ATOM 1785 C ALA A 122 6.527 -12.918 1.647 1.00 0.00 C ATOM 1786 O ALA A 122 5.675 -13.797 1.782 1.00 0.00 O ATOM 1787 CB ALA A 122 6.060 -10.748 2.801 1.00 0.00 C ATOM 0 H ALA A 122 8.518 -10.701 2.530 1.00 0.00 H new ATOM 0 HA ALA A 122 6.715 -12.555 3.738 1.00 0.00 H new ATOM 0 HB1 ALA A 122 5.004 -11.017 2.831 1.00 0.00 H new ATOM 0 HB2 ALA A 122 6.304 -10.138 3.671 1.00 0.00 H new ATOM 0 HB3 ALA A 122 6.264 -10.182 1.892 1.00 0.00 H new ATOM 1793 N LEU A 123 7.161 -12.696 0.501 1.00 0.00 N ATOM 1794 CA LEU A 123 6.889 -13.492 -0.691 1.00 0.00 C ATOM 1795 C LEU A 123 6.993 -14.983 -0.386 1.00 0.00 C ATOM 1796 O LEU A 123 6.095 -15.758 -0.714 1.00 0.00 O ATOM 1797 CB LEU A 123 7.862 -13.119 -1.811 1.00 0.00 C ATOM 1798 CG LEU A 123 7.499 -13.619 -3.210 1.00 0.00 C ATOM 1799 CD1 LEU A 123 7.317 -15.128 -3.207 1.00 0.00 C ATOM 1800 CD2 LEU A 123 6.239 -12.928 -3.712 1.00 0.00 C ATOM 0 H LEU A 123 7.867 -11.971 0.372 1.00 0.00 H new ATOM 0 HA LEU A 123 5.871 -13.277 -1.017 1.00 0.00 H new ATOM 0 HB2 LEU A 123 7.946 -12.033 -1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 123 8.848 -13.507 -1.553 1.00 0.00 H new ATOM 0 HG LEU A 123 8.318 -13.375 -3.887 1.00 0.00 H new ATOM 0 HD11 LEU A 123 7.059 -15.465 -4.211 1.00 0.00 H new ATOM 0 HD12 LEU A 123 8.244 -15.606 -2.891 1.00 0.00 H new ATOM 0 HD13 LEU A 123 6.517 -15.397 -2.517 1.00 0.00 H new ATOM 0 HD21 LEU A 123 5.995 -13.295 -4.709 1.00 0.00 H new ATOM 0 HD22 LEU A 123 5.412 -13.141 -3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 123 6.406 -11.852 -3.753 1.00 0.00 H new ATOM 1812 N ARG A 124 8.094 -15.377 0.245 1.00 0.00 N ATOM 1813 CA ARG A 124 8.315 -16.774 0.596 1.00 0.00 C ATOM 1814 C ARG A 124 7.508 -17.159 1.832 1.00 0.00 C ATOM 1815 O ARG A 124 7.089 -18.307 1.979 1.00 0.00 O ATOM 1816 CB ARG A 124 9.803 -17.031 0.845 1.00 0.00 C ATOM 1817 CG ARG A 124 10.423 -16.080 1.856 1.00 0.00 C ATOM 1818 CD ARG A 124 11.730 -16.629 2.407 1.00 0.00 C ATOM 1819 NE ARG A 124 12.763 -16.719 1.379 1.00 0.00 N ATOM 1820 CZ ARG A 124 13.508 -15.689 0.994 1.00 0.00 C ATOM 1821 NH1 ARG A 124 13.335 -14.497 1.548 1.00 0.00 N ATOM 1822 NH2 ARG A 124 14.429 -15.850 0.052 1.00 0.00 N ATOM 0 H ARG A 124 8.847 -14.748 0.524 1.00 0.00 H new ATOM 0 HA ARG A 124 7.982 -17.389 -0.240 1.00 0.00 H new ATOM 0 HB2 ARG A 124 9.933 -18.055 1.195 1.00 0.00 H new ATOM 0 HB3 ARG A 124 10.341 -16.946 -0.099 1.00 0.00 H new ATOM 0 HG2 ARG A 124 10.603 -15.113 1.386 1.00 0.00 H new ATOM 0 HG3 ARG A 124 9.724 -15.911 2.675 1.00 0.00 H new ATOM 0 HD2 ARG A 124 12.079 -15.988 3.217 1.00 0.00 H new ATOM 0 HD3 ARG A 124 11.557 -17.617 2.834 1.00 0.00 H new ATOM 0 HE ARG A 124 12.921 -17.622 0.932 1.00 0.00 H new ATOM 0 HH11 ARG A 124 12.628 -14.369 2.272 1.00 0.00 H new ATOM 0 HH12 ARG A 124 13.909 -13.708 1.250 1.00 0.00 H new ATOM 0 HH21 ARG A 124 14.565 -16.765 -0.377 1.00 0.00 H new ATOM 0 HH22 ARG A 124 15.001 -15.058 -0.243 1.00 0.00 H new ATOM 1836 N SER A 125 7.294 -16.192 2.718 1.00 0.00 N ATOM 1837 CA SER A 125 6.541 -16.430 3.943 1.00 0.00 C ATOM 1838 C SER A 125 5.074 -16.716 3.633 1.00 0.00 C ATOM 1839 O SER A 125 4.354 -17.285 4.452 1.00 0.00 O ATOM 1840 CB SER A 125 6.650 -15.223 4.877 1.00 0.00 C ATOM 1841 OG SER A 125 5.595 -14.305 4.649 1.00 0.00 O ATOM 0 H SER A 125 7.632 -15.236 2.610 1.00 0.00 H new ATOM 0 HA SER A 125 6.967 -17.303 4.437 1.00 0.00 H new ATOM 0 HB2 SER A 125 6.627 -15.558 5.914 1.00 0.00 H new ATOM 0 HB3 SER A 125 7.608 -14.726 4.724 1.00 0.00 H new ATOM 0 HG SER A 125 5.463 -14.191 3.685 1.00 0.00 H new ATOM 1847 N GLY A 126 4.639 -16.316 2.442 1.00 0.00 N ATOM 1848 CA GLY A 126 3.262 -16.537 2.043 1.00 0.00 C ATOM 1849 C GLY A 126 3.133 -17.599 0.969 1.00 0.00 C ATOM 1850 O GLY A 126 4.058 -18.370 0.713 1.00 0.00 O ATOM 0 H GLY A 126 5.216 -15.843 1.747 1.00 0.00 H new ATOM 0 HA2 GLY A 126 2.678 -16.833 2.914 1.00 0.00 H new ATOM 0 HA3 GLY A 126 2.838 -15.602 1.677 1.00 0.00 H new ATOM 1854 N PRO A 127 1.960 -17.651 0.320 1.00 0.00 N ATOM 1855 CA PRO A 127 1.685 -18.623 -0.742 1.00 0.00 C ATOM 1856 C PRO A 127 2.485 -18.339 -2.009 1.00 0.00 C ATOM 1857 O PRO A 127 2.287 -17.316 -2.664 1.00 0.00 O ATOM 1858 CB PRO A 127 0.187 -18.447 -1.005 1.00 0.00 C ATOM 1859 CG PRO A 127 -0.111 -17.050 -0.579 1.00 0.00 C ATOM 1860 CD PRO A 127 0.812 -16.763 0.573 1.00 0.00 C ATOM 0 HA PRO A 127 1.964 -19.635 -0.450 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -0.051 -18.599 -2.058 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -0.402 -19.168 -0.438 1.00 0.00 H new ATOM 0 HG2 PRO A 127 0.056 -16.349 -1.397 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -1.154 -16.948 -0.279 1.00 0.00 H new ATOM 0 HD2 PRO A 127 1.112 -15.715 0.596 1.00 0.00 H new ATOM 0 HD3 PRO A 127 0.339 -16.981 1.531 1.00 0.00 H new ATOM 1868 N SER A 128 3.388 -19.253 -2.350 1.00 0.00 N ATOM 1869 CA SER A 128 4.221 -19.099 -3.537 1.00 0.00 C ATOM 1870 C SER A 128 3.380 -18.682 -4.740 1.00 0.00 C ATOM 1871 O SER A 128 2.239 -19.118 -4.896 1.00 0.00 O ATOM 1872 CB SER A 128 4.956 -20.405 -3.843 1.00 0.00 C ATOM 1873 OG SER A 128 4.062 -21.390 -4.333 1.00 0.00 O ATOM 0 H SER A 128 3.561 -20.108 -1.821 1.00 0.00 H new ATOM 0 HA SER A 128 4.953 -18.316 -3.338 1.00 0.00 H new ATOM 0 HB2 SER A 128 5.739 -20.222 -4.579 1.00 0.00 H new ATOM 0 HB3 SER A 128 5.446 -20.771 -2.940 1.00 0.00 H new ATOM 0 HG SER A 128 4.556 -22.215 -4.523 1.00 0.00 H new ATOM 1879 N SER A 129 3.952 -17.833 -5.588 1.00 0.00 N ATOM 1880 CA SER A 129 3.255 -17.352 -6.775 1.00 0.00 C ATOM 1881 C SER A 129 2.689 -18.517 -7.582 1.00 0.00 C ATOM 1882 O SER A 129 3.431 -19.378 -8.054 1.00 0.00 O ATOM 1883 CB SER A 129 4.200 -16.524 -7.647 1.00 0.00 C ATOM 1884 OG SER A 129 3.478 -15.642 -8.488 1.00 0.00 O ATOM 0 H SER A 129 4.896 -17.464 -5.475 1.00 0.00 H new ATOM 0 HA SER A 129 2.427 -16.722 -6.450 1.00 0.00 H new ATOM 0 HB2 SER A 129 4.878 -15.953 -7.013 1.00 0.00 H new ATOM 0 HB3 SER A 129 4.815 -17.188 -8.254 1.00 0.00 H new ATOM 0 HG SER A 129 4.105 -15.123 -9.034 1.00 0.00 H new ATOM 1890 N GLY A 130 1.369 -18.537 -7.735 1.00 0.00 N ATOM 1891 CA GLY A 130 0.725 -19.599 -8.485 1.00 0.00 C ATOM 1892 C GLY A 130 0.792 -19.376 -9.982 1.00 0.00 C ATOM 1893 O GLY A 130 1.851 -19.058 -10.522 1.00 0.00 O ATOM 0 H GLY A 130 0.734 -17.836 -7.353 1.00 0.00 H new ATOM 0 HA2 GLY A 130 1.198 -20.550 -8.241 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -0.318 -19.675 -8.179 1.00 0.00 H new TER 1897 GLY A 130