USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 773 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 9 SER OG : rot -14:sc= -0.771 USER MOD Set 1.2: A 11 THR OG1 : rot -54:sc= 0.0615 USER MOD Set 1.3: A 96 GLN :FLIP amide:sc= -2.96 F(o=-5!,f=-3.7) USER MOD Set 2.1: A 5 SER OG : rot -160:sc= 1.06 USER MOD Set 2.2: A 8 LYS NZ :NH3+ 180:sc= 1.17 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HE2:sc= 0.804 K(o=0.8,f=-3.1!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.483 K(o=-0.48,f=-3.1!) USER MOD Single : A 31 SER OG : rot 56:sc= 0.0311 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=-0.0075) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= -0.134 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -38:sc= 0.157 USER MOD Single : A 47 LYS NZ :NH3+ -171:sc= -0.0231 (180deg=-0.154) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -1.58 X(o=-1.6,f=-1.7) USER MOD Single : A 63 HIS :FLIP no HD1:sc= -2.17! C(o=-3.1!,f=-2.2!) USER MOD Single : A 70 ASN :FLIP amide:sc= -0.653 F(o=-3!,f=-0.65) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -1.25 USER MOD Single : A 79 HIS :FLIP no HD1:sc= -2.72! C(o=-3.3!,f=-2.7!) USER MOD Single : A 81 GLN : amide:sc= -0.0185 X(o=-0.019,f=-0.031) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot -78:sc= 0.332 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 38:sc= 0.174 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= -0.0673 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.526 -14.568 -2.415 1.00 0.00 N ATOM 2 CA GLY A 1 -29.787 -15.700 -1.541 1.00 0.00 C ATOM 3 C GLY A 1 -28.673 -15.861 -0.505 1.00 0.00 C ATOM 4 O GLY A 1 -28.859 -15.538 0.667 1.00 0.00 O ATOM 0 H1 GLY A 1 -30.296 -14.480 -3.109 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.470 -13.698 -1.848 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.626 -14.715 -2.914 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -30.742 -15.560 -1.035 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.871 -16.610 -2.134 1.00 0.00 H new ATOM 8 N SER A 2 -27.539 -16.360 -0.975 1.00 0.00 N ATOM 9 CA SER A 2 -26.395 -16.567 -0.103 1.00 0.00 C ATOM 10 C SER A 2 -25.230 -15.680 -0.548 1.00 0.00 C ATOM 11 O SER A 2 -24.640 -14.971 0.266 1.00 0.00 O ATOM 12 CB SER A 2 -25.969 -18.037 -0.094 1.00 0.00 C ATOM 13 OG SER A 2 -24.617 -18.198 0.327 1.00 0.00 O ATOM 0 H SER A 2 -27.388 -16.627 -1.948 1.00 0.00 H new ATOM 0 HA SER A 2 -26.684 -16.294 0.912 1.00 0.00 H new ATOM 0 HB2 SER A 2 -26.625 -18.601 0.569 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.090 -18.456 -1.093 1.00 0.00 H new ATOM 0 HG SER A 2 -24.384 -19.150 0.321 1.00 0.00 H new ATOM 19 N SER A 3 -24.935 -15.748 -1.838 1.00 0.00 N ATOM 20 CA SER A 3 -23.852 -14.959 -2.400 1.00 0.00 C ATOM 21 C SER A 3 -23.891 -13.538 -1.834 1.00 0.00 C ATOM 22 O SER A 3 -24.894 -12.839 -1.970 1.00 0.00 O ATOM 23 CB SER A 3 -23.932 -14.924 -3.927 1.00 0.00 C ATOM 24 OG SER A 3 -22.856 -15.635 -4.534 1.00 0.00 O ATOM 0 H SER A 3 -25.427 -16.337 -2.510 1.00 0.00 H new ATOM 0 HA SER A 3 -22.908 -15.428 -2.123 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.880 -15.355 -4.250 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.920 -13.888 -4.267 1.00 0.00 H new ATOM 0 HG SER A 3 -22.944 -15.591 -5.509 1.00 0.00 H new ATOM 30 N GLY A 4 -22.787 -13.153 -1.211 1.00 0.00 N ATOM 31 CA GLY A 4 -22.682 -11.828 -0.624 1.00 0.00 C ATOM 32 C GLY A 4 -21.340 -11.180 -0.970 1.00 0.00 C ATOM 33 O GLY A 4 -20.375 -11.873 -1.289 1.00 0.00 O ATOM 0 H GLY A 4 -21.957 -13.736 -1.100 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.497 -11.201 -0.985 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.789 -11.896 0.459 1.00 0.00 H new ATOM 37 N SER A 5 -21.321 -9.857 -0.895 1.00 0.00 N ATOM 38 CA SER A 5 -20.113 -9.108 -1.196 1.00 0.00 C ATOM 39 C SER A 5 -19.187 -9.097 0.022 1.00 0.00 C ATOM 40 O SER A 5 -19.575 -8.641 1.097 1.00 0.00 O ATOM 41 CB SER A 5 -20.445 -7.676 -1.623 1.00 0.00 C ATOM 42 OG SER A 5 -19.289 -6.968 -2.062 1.00 0.00 O ATOM 0 H SER A 5 -22.123 -9.285 -0.630 1.00 0.00 H new ATOM 0 HA SER A 5 -19.605 -9.598 -2.027 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.183 -7.699 -2.425 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.900 -7.145 -0.787 1.00 0.00 H new ATOM 0 HG SER A 5 -19.461 -6.004 -2.022 1.00 0.00 H new ATOM 48 N SER A 6 -17.981 -9.604 -0.187 1.00 0.00 N ATOM 49 CA SER A 6 -16.997 -9.658 0.880 1.00 0.00 C ATOM 50 C SER A 6 -15.600 -9.385 0.319 1.00 0.00 C ATOM 51 O SER A 6 -15.289 -9.785 -0.802 1.00 0.00 O ATOM 52 CB SER A 6 -17.028 -11.014 1.589 1.00 0.00 C ATOM 53 OG SER A 6 -16.555 -10.925 2.931 1.00 0.00 O ATOM 0 H SER A 6 -17.663 -9.981 -1.080 1.00 0.00 H new ATOM 0 HA SER A 6 -17.244 -8.889 1.612 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.047 -11.400 1.589 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.417 -11.727 1.035 1.00 0.00 H new ATOM 0 HG SER A 6 -16.592 -11.810 3.350 1.00 0.00 H new ATOM 59 N GLY A 7 -14.797 -8.705 1.123 1.00 0.00 N ATOM 60 CA GLY A 7 -13.440 -8.373 0.720 1.00 0.00 C ATOM 61 C GLY A 7 -13.438 -7.543 -0.565 1.00 0.00 C ATOM 62 O GLY A 7 -13.704 -8.066 -1.646 1.00 0.00 O ATOM 0 H GLY A 7 -15.059 -8.374 2.052 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.946 -7.817 1.517 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.868 -9.288 0.567 1.00 0.00 H new ATOM 66 N LYS A 8 -13.134 -6.264 -0.405 1.00 0.00 N ATOM 67 CA LYS A 8 -13.093 -5.357 -1.540 1.00 0.00 C ATOM 68 C LYS A 8 -11.676 -4.798 -1.690 1.00 0.00 C ATOM 69 O LYS A 8 -10.932 -4.713 -0.714 1.00 0.00 O ATOM 70 CB LYS A 8 -14.168 -4.277 -1.402 1.00 0.00 C ATOM 71 CG LYS A 8 -15.051 -4.220 -2.650 1.00 0.00 C ATOM 72 CD LYS A 8 -16.138 -5.296 -2.603 1.00 0.00 C ATOM 73 CE LYS A 8 -16.518 -5.753 -4.012 1.00 0.00 C ATOM 74 NZ LYS A 8 -17.988 -5.732 -4.185 1.00 0.00 N ATOM 0 H LYS A 8 -12.914 -5.834 0.493 1.00 0.00 H new ATOM 0 HA LYS A 8 -13.325 -5.890 -2.462 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.783 -4.481 -0.526 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.696 -3.308 -1.241 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.512 -3.236 -2.729 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -14.437 -4.357 -3.540 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -15.786 -6.149 -2.023 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -17.019 -4.906 -2.093 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -16.050 -5.102 -4.750 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -16.139 -6.760 -4.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -18.229 -6.045 -5.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -18.428 -6.371 -3.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -18.341 -4.765 -4.037 1.00 0.00 H new ATOM 88 N SER A 9 -11.346 -4.431 -2.919 1.00 0.00 N ATOM 89 CA SER A 9 -10.032 -3.883 -3.210 1.00 0.00 C ATOM 90 C SER A 9 -10.158 -2.417 -3.630 1.00 0.00 C ATOM 91 O SER A 9 -10.745 -2.113 -4.667 1.00 0.00 O ATOM 92 CB SER A 9 -9.328 -4.690 -4.302 1.00 0.00 C ATOM 93 OG SER A 9 -9.594 -4.172 -5.603 1.00 0.00 O ATOM 0 H SER A 9 -11.966 -4.502 -3.726 1.00 0.00 H new ATOM 0 HA SER A 9 -9.428 -3.944 -2.305 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.253 -4.683 -4.122 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.653 -5.729 -4.252 1.00 0.00 H new ATOM 0 HG SER A 9 -10.351 -3.551 -5.559 1.00 0.00 H new ATOM 99 N LEU A 10 -9.597 -1.547 -2.802 1.00 0.00 N ATOM 100 CA LEU A 10 -9.639 -0.121 -3.075 1.00 0.00 C ATOM 101 C LEU A 10 -8.280 0.331 -3.615 1.00 0.00 C ATOM 102 O LEU A 10 -7.243 -0.200 -3.220 1.00 0.00 O ATOM 103 CB LEU A 10 -10.094 0.649 -1.834 1.00 0.00 C ATOM 104 CG LEU A 10 -11.420 0.202 -1.216 1.00 0.00 C ATOM 105 CD1 LEU A 10 -11.370 -1.275 -0.820 1.00 0.00 C ATOM 106 CD2 LEU A 10 -11.807 1.098 -0.038 1.00 0.00 C ATOM 0 H LEU A 10 -9.111 -1.803 -1.942 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.378 0.097 -3.846 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.316 0.567 -1.075 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.175 1.704 -2.095 1.00 0.00 H new ATOM 0 HG LEU A 10 -12.200 0.308 -1.970 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.325 -1.567 -0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -11.174 -1.882 -1.704 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -10.575 -1.429 -0.090 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -12.753 0.758 0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.032 1.049 0.727 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -11.912 2.127 -0.383 1.00 0.00 H new ATOM 118 N THR A 11 -8.330 1.307 -4.510 1.00 0.00 N ATOM 119 CA THR A 11 -7.116 1.836 -5.108 1.00 0.00 C ATOM 120 C THR A 11 -6.699 3.132 -4.410 1.00 0.00 C ATOM 121 O THR A 11 -7.546 3.951 -4.057 1.00 0.00 O ATOM 122 CB THR A 11 -7.363 2.006 -6.608 1.00 0.00 C ATOM 123 OG1 THR A 11 -8.289 0.970 -6.927 1.00 0.00 O ATOM 124 CG2 THR A 11 -6.127 1.672 -7.447 1.00 0.00 C ATOM 0 H THR A 11 -9.192 1.745 -4.835 1.00 0.00 H new ATOM 0 HA THR A 11 -6.279 1.150 -4.978 1.00 0.00 H new ATOM 0 HB THR A 11 -7.673 3.031 -6.811 1.00 0.00 H new ATOM 0 HG1 THR A 11 -7.934 0.109 -6.622 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.357 1.809 -8.504 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.307 2.332 -7.165 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.836 0.636 -7.270 1.00 0.00 H new ATOM 132 N LEU A 12 -5.394 3.278 -4.233 1.00 0.00 N ATOM 133 CA LEU A 12 -4.854 4.461 -3.584 1.00 0.00 C ATOM 134 C LEU A 12 -3.557 4.874 -4.282 1.00 0.00 C ATOM 135 O LEU A 12 -2.723 4.027 -4.600 1.00 0.00 O ATOM 136 CB LEU A 12 -4.695 4.222 -2.081 1.00 0.00 C ATOM 137 CG LEU A 12 -5.128 2.846 -1.571 1.00 0.00 C ATOM 138 CD1 LEU A 12 -3.943 1.879 -1.526 1.00 0.00 C ATOM 139 CD2 LEU A 12 -5.828 2.959 -0.215 1.00 0.00 C ATOM 0 H LEU A 12 -4.695 2.597 -4.528 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.547 5.297 -3.679 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.648 4.372 -1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.269 4.981 -1.550 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.852 2.434 -2.274 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.279 0.909 -1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.528 1.765 -2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.177 2.273 -0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.125 1.967 0.125 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.146 3.402 0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.712 3.589 -0.313 1.00 0.00 H new ATOM 151 N VAL A 13 -3.428 6.174 -4.501 1.00 0.00 N ATOM 152 CA VAL A 13 -2.246 6.709 -5.156 1.00 0.00 C ATOM 153 C VAL A 13 -1.289 7.262 -4.098 1.00 0.00 C ATOM 154 O VAL A 13 -1.624 8.206 -3.384 1.00 0.00 O ATOM 155 CB VAL A 13 -2.653 7.753 -6.198 1.00 0.00 C ATOM 156 CG1 VAL A 13 -1.441 8.559 -6.668 1.00 0.00 C ATOM 157 CG2 VAL A 13 -3.368 7.097 -7.381 1.00 0.00 C ATOM 0 H VAL A 13 -4.122 6.873 -4.237 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.717 5.922 -5.693 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.352 8.443 -5.726 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.758 9.294 -7.408 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.992 9.071 -5.817 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.708 7.887 -7.114 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.647 7.861 -8.107 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.703 6.374 -7.853 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.265 6.588 -7.027 1.00 0.00 H new ATOM 167 N LEU A 14 -0.115 6.650 -4.031 1.00 0.00 N ATOM 168 CA LEU A 14 0.893 7.070 -3.073 1.00 0.00 C ATOM 169 C LEU A 14 2.028 7.782 -3.812 1.00 0.00 C ATOM 170 O LEU A 14 2.251 7.538 -4.996 1.00 0.00 O ATOM 171 CB LEU A 14 1.359 5.880 -2.230 1.00 0.00 C ATOM 172 CG LEU A 14 0.260 5.101 -1.505 1.00 0.00 C ATOM 173 CD1 LEU A 14 0.860 4.095 -0.521 1.00 0.00 C ATOM 174 CD2 LEU A 14 -0.727 6.051 -0.823 1.00 0.00 C ATOM 0 H LEU A 14 0.160 5.867 -4.624 1.00 0.00 H new ATOM 0 HA LEU A 14 0.473 7.787 -2.367 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.899 5.190 -2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.070 6.242 -1.488 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.301 4.532 -2.246 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.058 3.554 -0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.490 3.389 -1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.460 4.624 0.219 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.498 5.472 -0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.197 6.666 -0.096 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.190 6.693 -1.572 1.00 0.00 H new ATOM 186 N HIS A 15 2.715 8.648 -3.081 1.00 0.00 N ATOM 187 CA HIS A 15 3.821 9.397 -3.653 1.00 0.00 C ATOM 188 C HIS A 15 5.097 9.114 -2.857 1.00 0.00 C ATOM 189 O HIS A 15 5.095 8.289 -1.945 1.00 0.00 O ATOM 190 CB HIS A 15 3.487 10.888 -3.727 1.00 0.00 C ATOM 191 CG HIS A 15 2.554 11.252 -4.858 1.00 0.00 C ATOM 192 ND1 HIS A 15 2.982 11.393 -6.167 1.00 0.00 N ATOM 193 CD2 HIS A 15 1.213 11.502 -4.862 1.00 0.00 C ATOM 194 CE1 HIS A 15 1.937 11.714 -6.916 1.00 0.00 C ATOM 195 NE2 HIS A 15 0.842 11.782 -6.105 1.00 0.00 N ATOM 0 H HIS A 15 2.527 8.847 -2.098 1.00 0.00 H new ATOM 0 HA HIS A 15 3.994 9.072 -4.679 1.00 0.00 H new ATOM 0 HB2 HIS A 15 3.036 11.196 -2.784 1.00 0.00 H new ATOM 0 HB3 HIS A 15 4.413 11.452 -3.837 1.00 0.00 H new ATOM 0 HD1 HIS A 15 3.939 11.271 -6.499 1.00 0.00 H new ATOM 0 HD2 HIS A 15 0.563 11.476 -4.000 1.00 0.00 H new ATOM 0 HE1 HIS A 15 1.950 11.891 -7.981 1.00 0.00 H new ATOM 203 N ARG A 16 6.157 9.816 -3.232 1.00 0.00 N ATOM 204 CA ARG A 16 7.438 9.651 -2.565 1.00 0.00 C ATOM 205 C ARG A 16 8.008 11.014 -2.168 1.00 0.00 C ATOM 206 O ARG A 16 8.752 11.626 -2.932 1.00 0.00 O ATOM 207 CB ARG A 16 8.440 8.930 -3.468 1.00 0.00 C ATOM 208 CG ARG A 16 7.942 7.529 -3.831 1.00 0.00 C ATOM 209 CD ARG A 16 9.113 6.595 -4.145 1.00 0.00 C ATOM 210 NE ARG A 16 9.311 6.506 -5.609 1.00 0.00 N ATOM 211 CZ ARG A 16 9.975 7.416 -6.334 1.00 0.00 C ATOM 212 NH1 ARG A 16 10.508 8.490 -5.736 1.00 0.00 N ATOM 213 NH2 ARG A 16 10.105 7.253 -7.658 1.00 0.00 N ATOM 0 H ARG A 16 6.155 10.500 -3.989 1.00 0.00 H new ATOM 0 HA ARG A 16 7.272 9.048 -1.672 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.599 9.510 -4.377 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.403 8.858 -2.963 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.358 7.121 -3.006 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.277 7.587 -4.693 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.021 6.964 -3.669 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.918 5.604 -3.735 1.00 0.00 H new ATOM 0 HE ARG A 16 8.917 5.701 -6.097 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.408 8.615 -4.729 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.014 9.183 -6.288 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.698 6.436 -8.114 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.611 7.946 -8.210 1.00 0.00 H new ATOM 227 N ASP A 17 7.638 11.449 -0.972 1.00 0.00 N ATOM 228 CA ASP A 17 8.104 12.728 -0.464 1.00 0.00 C ATOM 229 C ASP A 17 9.552 12.587 0.009 1.00 0.00 C ATOM 230 O ASP A 17 9.818 12.568 1.210 1.00 0.00 O ATOM 231 CB ASP A 17 7.261 13.188 0.727 1.00 0.00 C ATOM 232 CG ASP A 17 7.826 14.382 1.497 1.00 0.00 C ATOM 233 OD1 ASP A 17 7.855 15.480 0.900 1.00 0.00 O ATOM 234 OD2 ASP A 17 8.217 14.171 2.665 1.00 0.00 O ATOM 0 H ASP A 17 7.021 10.938 -0.340 1.00 0.00 H new ATOM 0 HA ASP A 17 8.023 13.460 -1.268 1.00 0.00 H new ATOM 0 HB2 ASP A 17 6.264 13.445 0.369 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.147 12.352 1.416 1.00 0.00 H new ATOM 239 N SER A 18 10.451 12.491 -0.959 1.00 0.00 N ATOM 240 CA SER A 18 11.866 12.352 -0.657 1.00 0.00 C ATOM 241 C SER A 18 12.144 10.962 -0.083 1.00 0.00 C ATOM 242 O SER A 18 12.289 10.804 1.129 1.00 0.00 O ATOM 243 CB SER A 18 12.328 13.433 0.322 1.00 0.00 C ATOM 244 OG SER A 18 13.518 14.080 -0.120 1.00 0.00 O ATOM 0 H SER A 18 10.227 12.507 -1.954 1.00 0.00 H new ATOM 0 HA SER A 18 12.428 12.474 -1.583 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.537 14.173 0.445 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.501 12.986 1.301 1.00 0.00 H new ATOM 0 HG SER A 18 13.779 14.764 0.531 1.00 0.00 H new ATOM 250 N GLY A 19 12.210 9.988 -0.979 1.00 0.00 N ATOM 251 CA GLY A 19 12.469 8.616 -0.577 1.00 0.00 C ATOM 252 C GLY A 19 11.742 8.281 0.727 1.00 0.00 C ATOM 253 O GLY A 19 12.375 7.935 1.723 1.00 0.00 O ATOM 0 H GLY A 19 12.088 10.122 -1.983 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.144 7.935 -1.364 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.541 8.467 -0.449 1.00 0.00 H new ATOM 257 N SER A 20 10.423 8.396 0.678 1.00 0.00 N ATOM 258 CA SER A 20 9.603 8.110 1.843 1.00 0.00 C ATOM 259 C SER A 20 8.127 8.061 1.445 1.00 0.00 C ATOM 260 O SER A 20 7.512 9.097 1.200 1.00 0.00 O ATOM 261 CB SER A 20 9.822 9.153 2.941 1.00 0.00 C ATOM 262 OG SER A 20 10.348 8.572 4.132 1.00 0.00 O ATOM 0 H SER A 20 9.902 8.683 -0.150 1.00 0.00 H new ATOM 0 HA SER A 20 9.899 7.138 2.238 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.506 9.921 2.580 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.877 9.647 3.165 1.00 0.00 H new ATOM 0 HG SER A 20 10.475 9.270 4.808 1.00 0.00 H new ATOM 268 N LEU A 21 7.601 6.846 1.393 1.00 0.00 N ATOM 269 CA LEU A 21 6.208 6.648 1.029 1.00 0.00 C ATOM 270 C LEU A 21 5.312 7.304 2.082 1.00 0.00 C ATOM 271 O LEU A 21 4.225 7.783 1.764 1.00 0.00 O ATOM 272 CB LEU A 21 5.917 5.162 0.813 1.00 0.00 C ATOM 273 CG LEU A 21 6.385 4.573 -0.519 1.00 0.00 C ATOM 274 CD1 LEU A 21 5.499 5.049 -1.671 1.00 0.00 C ATOM 275 CD2 LEU A 21 7.863 4.883 -0.766 1.00 0.00 C ATOM 0 H LEU A 21 8.114 5.989 1.597 1.00 0.00 H new ATOM 0 HA LEU A 21 5.990 7.133 0.078 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.385 4.599 1.621 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.841 5.007 0.898 1.00 0.00 H new ATOM 0 HG LEU A 21 6.288 3.489 -0.466 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.854 4.615 -2.606 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.471 4.735 -1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.540 6.136 -1.736 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.171 4.453 -1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.009 5.963 -0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.464 4.454 0.036 1.00 0.00 H new ATOM 287 N GLY A 22 5.802 7.304 3.313 1.00 0.00 N ATOM 288 CA GLY A 22 5.059 7.893 4.414 1.00 0.00 C ATOM 289 C GLY A 22 4.341 6.816 5.229 1.00 0.00 C ATOM 290 O GLY A 22 3.252 7.050 5.750 1.00 0.00 O ATOM 0 H GLY A 22 6.704 6.905 3.572 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.738 8.450 5.059 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.332 8.606 4.026 1.00 0.00 H new ATOM 294 N PHE A 23 4.981 5.659 5.314 1.00 0.00 N ATOM 295 CA PHE A 23 4.417 4.545 6.057 1.00 0.00 C ATOM 296 C PHE A 23 5.382 3.358 6.083 1.00 0.00 C ATOM 297 O PHE A 23 6.476 3.431 5.526 1.00 0.00 O ATOM 298 CB PHE A 23 3.134 4.129 5.335 1.00 0.00 C ATOM 299 CG PHE A 23 3.367 3.219 4.127 1.00 0.00 C ATOM 300 CD1 PHE A 23 4.355 3.508 3.238 1.00 0.00 C ATOM 301 CD2 PHE A 23 2.587 2.120 3.942 1.00 0.00 C ATOM 302 CE1 PHE A 23 4.572 2.664 2.117 1.00 0.00 C ATOM 303 CE2 PHE A 23 2.803 1.276 2.821 1.00 0.00 C ATOM 304 CZ PHE A 23 3.791 1.565 1.933 1.00 0.00 C ATOM 0 H PHE A 23 5.885 5.469 4.881 1.00 0.00 H new ATOM 0 HA PHE A 23 4.225 4.845 7.087 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.481 3.617 6.042 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.608 5.025 5.006 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.975 4.380 3.385 1.00 0.00 H new ATOM 0 HD2 PHE A 23 1.803 1.889 4.648 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.356 2.894 1.411 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.182 0.404 2.674 1.00 0.00 H new ATOM 0 HZ PHE A 23 3.956 0.922 1.081 1.00 0.00 H new ATOM 314 N ASN A 24 4.941 2.291 6.734 1.00 0.00 N ATOM 315 CA ASN A 24 5.752 1.090 6.839 1.00 0.00 C ATOM 316 C ASN A 24 4.876 -0.136 6.572 1.00 0.00 C ATOM 317 O ASN A 24 3.651 -0.052 6.627 1.00 0.00 O ATOM 318 CB ASN A 24 6.348 0.949 8.241 1.00 0.00 C ATOM 319 CG ASN A 24 7.860 0.724 8.173 1.00 0.00 C ATOM 320 OD1 ASN A 24 8.484 0.837 7.131 1.00 0.00 O ATOM 321 ND2 ASN A 24 8.411 0.401 9.340 1.00 0.00 N ATOM 0 H ASN A 24 4.032 2.234 7.194 1.00 0.00 H new ATOM 0 HA ASN A 24 6.559 1.163 6.110 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.136 1.846 8.822 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.875 0.115 8.759 1.00 0.00 H new ATOM 0 HD21 ASN A 24 9.415 0.231 9.400 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.830 0.323 10.174 1.00 0.00 H new ATOM 328 N ILE A 25 5.540 -1.247 6.287 1.00 0.00 N ATOM 329 CA ILE A 25 4.838 -2.488 6.012 1.00 0.00 C ATOM 330 C ILE A 25 5.432 -3.607 6.870 1.00 0.00 C ATOM 331 O ILE A 25 6.534 -3.469 7.399 1.00 0.00 O ATOM 332 CB ILE A 25 4.853 -2.791 4.512 1.00 0.00 C ATOM 333 CG1 ILE A 25 6.232 -2.513 3.910 1.00 0.00 C ATOM 334 CG2 ILE A 25 3.746 -2.023 3.787 1.00 0.00 C ATOM 335 CD1 ILE A 25 6.421 -3.272 2.596 1.00 0.00 C ATOM 0 H ILE A 25 6.557 -1.313 6.241 1.00 0.00 H new ATOM 0 HA ILE A 25 3.787 -2.399 6.286 1.00 0.00 H new ATOM 0 HB ILE A 25 4.651 -3.853 4.376 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.347 -1.443 3.736 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.007 -2.806 4.618 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.779 -2.256 2.723 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.777 -2.313 4.192 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.893 -0.952 3.929 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.409 -3.056 2.190 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.329 -4.343 2.778 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.659 -2.959 1.882 1.00 0.00 H new ATOM 347 N ILE A 26 4.676 -4.689 6.982 1.00 0.00 N ATOM 348 CA ILE A 26 5.113 -5.830 7.768 1.00 0.00 C ATOM 349 C ILE A 26 4.905 -7.111 6.958 1.00 0.00 C ATOM 350 O ILE A 26 4.207 -7.103 5.945 1.00 0.00 O ATOM 351 CB ILE A 26 4.416 -5.843 9.130 1.00 0.00 C ATOM 352 CG1 ILE A 26 3.089 -6.602 9.059 1.00 0.00 C ATOM 353 CG2 ILE A 26 4.235 -4.421 9.666 1.00 0.00 C ATOM 354 CD1 ILE A 26 2.487 -6.783 10.453 1.00 0.00 C ATOM 0 H ILE A 26 3.763 -4.800 6.541 1.00 0.00 H new ATOM 0 HA ILE A 26 6.179 -5.758 7.983 1.00 0.00 H new ATOM 0 HB ILE A 26 5.054 -6.375 9.836 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.389 -6.059 8.424 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.248 -7.577 8.598 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.737 -4.458 10.635 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.210 -3.947 9.777 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.628 -3.844 8.968 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.545 -7.325 10.375 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.179 -7.347 11.078 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.307 -5.806 10.901 1.00 0.00 H new ATOM 366 N GLY A 27 5.522 -8.182 7.435 1.00 0.00 N ATOM 367 CA GLY A 27 5.413 -9.468 6.768 1.00 0.00 C ATOM 368 C GLY A 27 6.688 -9.790 5.986 1.00 0.00 C ATOM 369 O GLY A 27 7.650 -9.024 6.016 1.00 0.00 O ATOM 0 H GLY A 27 6.099 -8.185 8.276 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.227 -10.249 7.505 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.559 -9.459 6.091 1.00 0.00 H new ATOM 373 N GLY A 28 6.654 -10.925 5.303 1.00 0.00 N ATOM 374 CA GLY A 28 7.795 -11.358 4.514 1.00 0.00 C ATOM 375 C GLY A 28 8.979 -11.718 5.414 1.00 0.00 C ATOM 376 O GLY A 28 9.457 -10.883 6.180 1.00 0.00 O ATOM 0 H GLY A 28 5.854 -11.558 5.280 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.517 -12.222 3.910 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.086 -10.566 3.824 1.00 0.00 H new ATOM 380 N ARG A 29 9.418 -12.962 5.291 1.00 0.00 N ATOM 381 CA ARG A 29 10.537 -13.442 6.083 1.00 0.00 C ATOM 382 C ARG A 29 10.658 -14.963 5.964 1.00 0.00 C ATOM 383 O ARG A 29 9.662 -15.678 6.060 1.00 0.00 O ATOM 384 CB ARG A 29 10.371 -13.065 7.557 1.00 0.00 C ATOM 385 CG ARG A 29 11.498 -12.138 8.016 1.00 0.00 C ATOM 386 CD ARG A 29 12.468 -12.871 8.945 1.00 0.00 C ATOM 387 NE ARG A 29 13.744 -12.127 9.034 1.00 0.00 N ATOM 388 CZ ARG A 29 13.903 -10.986 9.718 1.00 0.00 C ATOM 389 NH1 ARG A 29 12.866 -10.451 10.378 1.00 0.00 N ATOM 390 NH2 ARG A 29 15.097 -10.381 9.744 1.00 0.00 N ATOM 0 H ARG A 29 9.019 -13.652 4.655 1.00 0.00 H new ATOM 0 HA ARG A 29 11.441 -12.970 5.698 1.00 0.00 H new ATOM 0 HB2 ARG A 29 9.409 -12.574 7.704 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.366 -13.967 8.168 1.00 0.00 H new ATOM 0 HG2 ARG A 29 12.037 -11.758 7.148 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.077 -11.275 8.532 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.027 -12.973 9.937 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.650 -13.879 8.572 1.00 0.00 H new ATOM 0 HE ARG A 29 14.554 -12.507 8.544 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.957 -10.913 10.359 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.986 -9.582 10.899 1.00 0.00 H new ATOM 0 HH21 ARG A 29 15.886 -10.789 9.243 1.00 0.00 H new ATOM 0 HH22 ARG A 29 15.217 -9.512 10.265 1.00 0.00 H new ATOM 404 N PRO A 30 11.920 -15.424 5.750 1.00 0.00 N ATOM 405 CA PRO A 30 12.184 -16.847 5.617 1.00 0.00 C ATOM 406 C PRO A 30 12.121 -17.546 6.976 1.00 0.00 C ATOM 407 O PRO A 30 13.057 -17.455 7.769 1.00 0.00 O ATOM 408 CB PRO A 30 13.556 -16.933 4.968 1.00 0.00 C ATOM 409 CG PRO A 30 14.206 -15.577 5.186 1.00 0.00 C ATOM 410 CD PRO A 30 13.124 -14.607 5.631 1.00 0.00 C ATOM 0 HA PRO A 30 11.437 -17.358 5.009 1.00 0.00 H new ATOM 0 HB2 PRO A 30 14.151 -17.728 5.417 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.472 -17.159 3.905 1.00 0.00 H new ATOM 0 HG2 PRO A 30 14.990 -15.646 5.940 1.00 0.00 H new ATOM 0 HG3 PRO A 30 14.677 -15.228 4.267 1.00 0.00 H new ATOM 0 HD2 PRO A 30 13.379 -14.137 6.581 1.00 0.00 H new ATOM 0 HD3 PRO A 30 12.988 -13.805 4.905 1.00 0.00 H new ATOM 418 N SER A 31 11.008 -18.228 7.204 1.00 0.00 N ATOM 419 CA SER A 31 10.811 -18.943 8.454 1.00 0.00 C ATOM 420 C SER A 31 9.549 -19.804 8.370 1.00 0.00 C ATOM 421 O SER A 31 9.616 -21.025 8.502 1.00 0.00 O ATOM 422 CB SER A 31 10.715 -17.973 9.633 1.00 0.00 C ATOM 423 OG SER A 31 11.840 -18.077 10.502 1.00 0.00 O ATOM 0 H SER A 31 10.233 -18.301 6.544 1.00 0.00 H new ATOM 0 HA SER A 31 11.673 -19.589 8.619 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.640 -16.952 9.258 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.803 -18.174 10.195 1.00 0.00 H new ATOM 0 HG SER A 31 12.664 -17.941 9.989 1.00 0.00 H new ATOM 429 N VAL A 32 8.427 -19.133 8.153 1.00 0.00 N ATOM 430 CA VAL A 32 7.151 -19.822 8.050 1.00 0.00 C ATOM 431 C VAL A 32 7.167 -20.737 6.824 1.00 0.00 C ATOM 432 O VAL A 32 6.601 -20.399 5.786 1.00 0.00 O ATOM 433 CB VAL A 32 6.008 -18.805 8.023 1.00 0.00 C ATOM 434 CG1 VAL A 32 4.651 -19.508 7.946 1.00 0.00 C ATOM 435 CG2 VAL A 32 6.076 -17.872 9.234 1.00 0.00 C ATOM 0 H VAL A 32 8.375 -18.120 8.046 1.00 0.00 H new ATOM 0 HA VAL A 32 6.986 -20.453 8.923 1.00 0.00 H new ATOM 0 HB VAL A 32 6.121 -18.197 7.126 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.856 -18.763 7.928 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.604 -20.110 7.039 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.525 -20.152 8.816 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.253 -17.159 9.191 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.000 -18.458 10.150 1.00 0.00 H new ATOM 0 HG23 VAL A 32 7.023 -17.333 9.225 1.00 0.00 H new ATOM 445 N ASP A 33 7.823 -21.877 6.985 1.00 0.00 N ATOM 446 CA ASP A 33 7.920 -22.843 5.903 1.00 0.00 C ATOM 447 C ASP A 33 8.699 -24.067 6.388 1.00 0.00 C ATOM 448 O ASP A 33 9.620 -23.942 7.193 1.00 0.00 O ATOM 449 CB ASP A 33 8.663 -22.253 4.703 1.00 0.00 C ATOM 450 CG ASP A 33 8.851 -23.211 3.525 1.00 0.00 C ATOM 451 OD1 ASP A 33 7.822 -23.742 3.056 1.00 0.00 O ATOM 452 OD2 ASP A 33 10.020 -23.390 3.120 1.00 0.00 O ATOM 0 H ASP A 33 8.292 -22.153 7.847 1.00 0.00 H new ATOM 0 HA ASP A 33 6.909 -23.115 5.601 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.120 -21.374 4.354 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.644 -21.911 5.034 1.00 0.00 H new ATOM 457 N ASN A 34 8.301 -25.223 5.876 1.00 0.00 N ATOM 458 CA ASN A 34 8.951 -26.468 6.246 1.00 0.00 C ATOM 459 C ASN A 34 8.378 -27.608 5.401 1.00 0.00 C ATOM 460 O ASN A 34 7.458 -28.302 5.831 1.00 0.00 O ATOM 461 CB ASN A 34 8.705 -26.802 7.719 1.00 0.00 C ATOM 462 CG ASN A 34 9.867 -27.610 8.300 1.00 0.00 C ATOM 463 OD1 ASN A 34 10.882 -27.076 8.716 1.00 0.00 O ATOM 464 ND2 ASN A 34 9.662 -28.924 8.304 1.00 0.00 N ATOM 0 H ASN A 34 7.537 -25.323 5.208 1.00 0.00 H new ATOM 0 HA ASN A 34 10.022 -26.353 6.076 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.578 -25.881 8.288 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.779 -27.368 7.817 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.378 -29.551 8.671 1.00 0.00 H new ATOM 0 HD22 ASN A 34 8.789 -29.305 7.940 1.00 0.00 H new ATOM 471 N HIS A 35 8.945 -27.766 4.214 1.00 0.00 N ATOM 472 CA HIS A 35 8.502 -28.809 3.306 1.00 0.00 C ATOM 473 C HIS A 35 9.440 -28.872 2.099 1.00 0.00 C ATOM 474 O HIS A 35 10.152 -29.857 1.912 1.00 0.00 O ATOM 475 CB HIS A 35 7.039 -28.599 2.909 1.00 0.00 C ATOM 476 CG HIS A 35 6.304 -29.875 2.576 1.00 0.00 C ATOM 477 ND1 HIS A 35 5.844 -30.166 1.304 1.00 0.00 N ATOM 478 CD2 HIS A 35 5.955 -30.934 3.363 1.00 0.00 C ATOM 479 CE1 HIS A 35 5.246 -31.347 1.335 1.00 0.00 C ATOM 480 NE2 HIS A 35 5.315 -31.822 2.612 1.00 0.00 N ATOM 0 H HIS A 35 9.708 -27.188 3.860 1.00 0.00 H new ATOM 0 HA HIS A 35 8.547 -29.775 3.808 1.00 0.00 H new ATOM 0 HB2 HIS A 35 6.520 -28.095 3.725 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.999 -27.933 2.047 1.00 0.00 H new ATOM 0 HD2 HIS A 35 6.164 -31.033 4.418 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.784 -31.847 0.496 1.00 0.00 H new ATOM 0 HE2 HIS A 35 4.937 -32.712 2.936 1.00 0.00 H new ATOM 488 N ASP A 36 9.411 -27.807 1.311 1.00 0.00 N ATOM 489 CA ASP A 36 10.250 -27.728 0.128 1.00 0.00 C ATOM 490 C ASP A 36 10.002 -26.394 -0.580 1.00 0.00 C ATOM 491 O ASP A 36 9.106 -26.289 -1.417 1.00 0.00 O ATOM 492 CB ASP A 36 9.923 -28.853 -0.855 1.00 0.00 C ATOM 493 CG ASP A 36 10.834 -28.925 -2.083 1.00 0.00 C ATOM 494 OD1 ASP A 36 10.661 -28.061 -2.969 1.00 0.00 O ATOM 495 OD2 ASP A 36 11.682 -29.843 -2.107 1.00 0.00 O ATOM 0 H ASP A 36 8.819 -26.991 1.469 1.00 0.00 H new ATOM 0 HA ASP A 36 11.289 -27.817 0.445 1.00 0.00 H new ATOM 0 HB2 ASP A 36 9.976 -29.804 -0.326 1.00 0.00 H new ATOM 0 HB3 ASP A 36 8.893 -28.733 -1.192 1.00 0.00 H new ATOM 500 N GLY A 37 10.811 -25.409 -0.219 1.00 0.00 N ATOM 501 CA GLY A 37 10.691 -24.087 -0.809 1.00 0.00 C ATOM 502 C GLY A 37 9.379 -23.419 -0.393 1.00 0.00 C ATOM 503 O GLY A 37 8.775 -23.799 0.608 1.00 0.00 O ATOM 0 H GLY A 37 11.553 -25.500 0.475 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.533 -23.468 -0.498 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.736 -24.164 -1.895 1.00 0.00 H new ATOM 507 N SER A 38 8.977 -22.434 -1.184 1.00 0.00 N ATOM 508 CA SER A 38 7.748 -21.709 -0.910 1.00 0.00 C ATOM 509 C SER A 38 7.808 -21.085 0.485 1.00 0.00 C ATOM 510 O SER A 38 8.815 -21.207 1.181 1.00 0.00 O ATOM 511 CB SER A 38 6.529 -22.626 -1.029 1.00 0.00 C ATOM 512 OG SER A 38 6.396 -23.170 -2.339 1.00 0.00 O ATOM 0 H SER A 38 9.481 -22.122 -2.014 1.00 0.00 H new ATOM 0 HA SER A 38 7.647 -20.916 -1.651 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.614 -23.438 -0.306 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.628 -22.067 -0.776 1.00 0.00 H new ATOM 0 HG SER A 38 5.607 -23.751 -2.373 1.00 0.00 H new ATOM 518 N SER A 39 6.717 -20.429 0.853 1.00 0.00 N ATOM 519 CA SER A 39 6.634 -19.785 2.153 1.00 0.00 C ATOM 520 C SER A 39 5.360 -18.942 2.238 1.00 0.00 C ATOM 521 O SER A 39 4.994 -18.264 1.279 1.00 0.00 O ATOM 522 CB SER A 39 7.864 -18.915 2.417 1.00 0.00 C ATOM 523 OG SER A 39 7.590 -17.870 3.346 1.00 0.00 O ATOM 0 H SER A 39 5.883 -20.330 0.274 1.00 0.00 H new ATOM 0 HA SER A 39 6.601 -20.561 2.918 1.00 0.00 H new ATOM 0 HB2 SER A 39 8.673 -19.537 2.800 1.00 0.00 H new ATOM 0 HB3 SER A 39 8.211 -18.484 1.478 1.00 0.00 H new ATOM 0 HG SER A 39 8.401 -17.338 3.489 1.00 0.00 H new ATOM 529 N SER A 40 4.719 -19.011 3.396 1.00 0.00 N ATOM 530 CA SER A 40 3.493 -18.263 3.619 1.00 0.00 C ATOM 531 C SER A 40 3.820 -16.884 4.195 1.00 0.00 C ATOM 532 O SER A 40 4.234 -16.771 5.348 1.00 0.00 O ATOM 533 CB SER A 40 2.549 -19.019 4.555 1.00 0.00 C ATOM 534 OG SER A 40 1.197 -18.961 4.110 1.00 0.00 O ATOM 0 H SER A 40 5.026 -19.573 4.190 1.00 0.00 H new ATOM 0 HA SER A 40 2.988 -18.140 2.661 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.864 -20.060 4.624 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.619 -18.598 5.558 1.00 0.00 H new ATOM 0 HG SER A 40 0.626 -19.457 4.733 1.00 0.00 H new ATOM 540 N GLU A 41 3.622 -15.869 3.366 1.00 0.00 N ATOM 541 CA GLU A 41 3.891 -14.502 3.778 1.00 0.00 C ATOM 542 C GLU A 41 2.907 -13.542 3.106 1.00 0.00 C ATOM 543 O GLU A 41 2.113 -13.952 2.262 1.00 0.00 O ATOM 544 CB GLU A 41 5.337 -14.110 3.470 1.00 0.00 C ATOM 545 CG GLU A 41 6.321 -15.002 4.230 1.00 0.00 C ATOM 546 CD GLU A 41 6.247 -14.739 5.736 1.00 0.00 C ATOM 547 OE1 GLU A 41 5.918 -13.589 6.096 1.00 0.00 O ATOM 548 OE2 GLU A 41 6.520 -15.696 6.493 1.00 0.00 O ATOM 0 H GLU A 41 3.278 -15.966 2.411 1.00 0.00 H new ATOM 0 HA GLU A 41 3.754 -14.435 4.857 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.519 -14.192 2.398 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.501 -13.067 3.742 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.098 -16.050 4.029 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.335 -14.818 3.874 1.00 0.00 H new ATOM 555 N GLY A 42 2.993 -12.282 3.507 1.00 0.00 N ATOM 556 CA GLY A 42 2.120 -11.260 2.954 1.00 0.00 C ATOM 557 C GLY A 42 2.608 -9.860 3.330 1.00 0.00 C ATOM 558 O GLY A 42 3.469 -9.711 4.196 1.00 0.00 O ATOM 0 H GLY A 42 3.653 -11.946 4.208 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.083 -11.357 1.869 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.104 -11.406 3.322 1.00 0.00 H new ATOM 562 N ILE A 43 2.037 -8.869 2.661 1.00 0.00 N ATOM 563 CA ILE A 43 2.403 -7.486 2.914 1.00 0.00 C ATOM 564 C ILE A 43 1.235 -6.770 3.595 1.00 0.00 C ATOM 565 O ILE A 43 0.103 -6.832 3.119 1.00 0.00 O ATOM 566 CB ILE A 43 2.871 -6.811 1.623 1.00 0.00 C ATOM 567 CG1 ILE A 43 3.954 -7.641 0.931 1.00 0.00 C ATOM 568 CG2 ILE A 43 3.332 -5.377 1.891 1.00 0.00 C ATOM 569 CD1 ILE A 43 5.015 -8.102 1.932 1.00 0.00 C ATOM 0 H ILE A 43 1.323 -8.997 1.944 1.00 0.00 H new ATOM 0 HA ILE A 43 3.250 -7.435 3.598 1.00 0.00 H new ATOM 0 HB ILE A 43 2.023 -6.755 0.940 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.501 -8.508 0.451 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.423 -7.050 0.145 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.660 -4.920 0.957 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.505 -4.801 2.307 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.160 -5.387 2.600 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.773 -8.690 1.414 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.483 -7.232 2.393 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.546 -8.713 2.703 1.00 0.00 H new ATOM 581 N PHE A 44 1.551 -6.107 4.697 1.00 0.00 N ATOM 582 CA PHE A 44 0.541 -5.380 5.448 1.00 0.00 C ATOM 583 C PHE A 44 1.116 -4.086 6.028 1.00 0.00 C ATOM 584 O PHE A 44 2.312 -4.002 6.303 1.00 0.00 O ATOM 585 CB PHE A 44 0.098 -6.288 6.597 1.00 0.00 C ATOM 586 CG PHE A 44 -0.681 -7.525 6.147 1.00 0.00 C ATOM 587 CD1 PHE A 44 -0.015 -8.653 5.784 1.00 0.00 C ATOM 588 CD2 PHE A 44 -2.041 -7.497 6.111 1.00 0.00 C ATOM 589 CE1 PHE A 44 -0.738 -9.802 5.366 1.00 0.00 C ATOM 590 CE2 PHE A 44 -2.764 -8.645 5.694 1.00 0.00 C ATOM 591 CZ PHE A 44 -2.097 -9.774 5.330 1.00 0.00 C ATOM 0 H PHE A 44 2.492 -6.058 5.088 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.291 -5.116 4.795 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.979 -6.608 7.154 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.521 -5.711 7.284 1.00 0.00 H new ATOM 0 HD1 PHE A 44 1.064 -8.676 5.813 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.570 -6.601 6.400 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.208 -10.698 5.077 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -3.843 -8.623 5.666 1.00 0.00 H new ATOM 0 HZ PHE A 44 -2.647 -10.648 5.013 1.00 0.00 H new ATOM 601 N VAL A 45 0.236 -3.110 6.199 1.00 0.00 N ATOM 602 CA VAL A 45 0.641 -1.824 6.741 1.00 0.00 C ATOM 603 C VAL A 45 0.378 -1.806 8.249 1.00 0.00 C ATOM 604 O VAL A 45 -0.745 -2.050 8.689 1.00 0.00 O ATOM 605 CB VAL A 45 -0.073 -0.694 5.997 1.00 0.00 C ATOM 606 CG1 VAL A 45 0.297 0.669 6.586 1.00 0.00 C ATOM 607 CG2 VAL A 45 0.234 -0.745 4.499 1.00 0.00 C ATOM 0 H VAL A 45 -0.756 -3.184 5.972 1.00 0.00 H new ATOM 0 HA VAL A 45 1.710 -1.667 6.595 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.146 -0.834 6.124 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.224 1.455 6.039 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.006 0.703 7.636 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.373 0.821 6.503 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.286 0.069 3.993 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.308 -0.642 4.344 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.101 -1.699 4.091 1.00 0.00 H new ATOM 617 N SER A 46 1.431 -1.515 8.997 1.00 0.00 N ATOM 618 CA SER A 46 1.328 -1.463 10.446 1.00 0.00 C ATOM 619 C SER A 46 1.640 -0.049 10.941 1.00 0.00 C ATOM 620 O SER A 46 1.483 0.246 12.125 1.00 0.00 O ATOM 621 CB SER A 46 2.269 -2.475 11.102 1.00 0.00 C ATOM 622 OG SER A 46 2.001 -2.630 12.493 1.00 0.00 O ATOM 0 H SER A 46 2.360 -1.313 8.628 1.00 0.00 H new ATOM 0 HA SER A 46 0.307 -1.723 10.726 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.168 -3.439 10.604 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.301 -2.152 10.966 1.00 0.00 H new ATOM 0 HG SER A 46 1.772 -1.760 12.881 1.00 0.00 H new ATOM 628 N LYS A 47 2.077 0.787 10.011 1.00 0.00 N ATOM 629 CA LYS A 47 2.413 2.162 10.339 1.00 0.00 C ATOM 630 C LYS A 47 2.132 3.053 9.127 1.00 0.00 C ATOM 631 O LYS A 47 2.311 2.630 7.986 1.00 0.00 O ATOM 632 CB LYS A 47 3.851 2.255 10.850 1.00 0.00 C ATOM 633 CG LYS A 47 4.195 3.688 11.263 1.00 0.00 C ATOM 634 CD LYS A 47 5.524 4.132 10.649 1.00 0.00 C ATOM 635 CE LYS A 47 5.356 4.475 9.168 1.00 0.00 C ATOM 636 NZ LYS A 47 6.647 4.910 8.587 1.00 0.00 N ATOM 0 H LYS A 47 2.206 0.539 9.030 1.00 0.00 H new ATOM 0 HA LYS A 47 1.786 2.524 11.154 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.982 1.586 11.701 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.539 1.922 10.073 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.400 4.363 10.945 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.253 3.753 12.350 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.905 5.001 11.186 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.263 3.339 10.761 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.982 3.606 8.627 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.614 5.265 9.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.489 5.283 7.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.063 5.653 9.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.297 4.100 8.540 1.00 0.00 H new ATOM 650 N ILE A 48 1.697 4.271 9.416 1.00 0.00 N ATOM 651 CA ILE A 48 1.390 5.225 8.364 1.00 0.00 C ATOM 652 C ILE A 48 1.693 6.640 8.861 1.00 0.00 C ATOM 653 O ILE A 48 1.133 7.084 9.862 1.00 0.00 O ATOM 654 CB ILE A 48 -0.048 5.040 7.876 1.00 0.00 C ATOM 655 CG1 ILE A 48 -0.203 3.724 7.112 1.00 0.00 C ATOM 656 CG2 ILE A 48 -0.504 6.242 7.046 1.00 0.00 C ATOM 657 CD1 ILE A 48 -1.617 3.582 6.544 1.00 0.00 C ATOM 0 H ILE A 48 1.550 4.619 10.364 1.00 0.00 H new ATOM 0 HA ILE A 48 2.023 5.049 7.494 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.700 4.984 8.748 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.524 3.682 6.301 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.012 2.887 7.776 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.529 6.085 6.711 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.455 7.144 7.655 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.147 6.354 6.179 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.700 2.638 6.006 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.340 3.599 7.359 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.820 4.408 5.862 1.00 0.00 H new ATOM 669 N VAL A 49 2.580 7.309 8.138 1.00 0.00 N ATOM 670 CA VAL A 49 2.964 8.665 8.493 1.00 0.00 C ATOM 671 C VAL A 49 1.787 9.608 8.237 1.00 0.00 C ATOM 672 O VAL A 49 1.322 9.733 7.105 1.00 0.00 O ATOM 673 CB VAL A 49 4.229 9.066 7.731 1.00 0.00 C ATOM 674 CG1 VAL A 49 4.722 10.445 8.175 1.00 0.00 C ATOM 675 CG2 VAL A 49 5.326 8.012 7.896 1.00 0.00 C ATOM 0 H VAL A 49 3.043 6.937 7.309 1.00 0.00 H new ATOM 0 HA VAL A 49 3.205 8.729 9.554 1.00 0.00 H new ATOM 0 HB VAL A 49 3.978 9.125 6.672 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.622 10.706 7.618 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.948 11.188 7.982 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.948 10.425 9.241 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.214 8.322 7.345 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.573 7.907 8.952 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.973 7.056 7.509 1.00 0.00 H new ATOM 685 N ASP A 50 1.339 10.248 9.307 1.00 0.00 N ATOM 686 CA ASP A 50 0.226 11.177 9.212 1.00 0.00 C ATOM 687 C ASP A 50 0.509 12.195 8.105 1.00 0.00 C ATOM 688 O ASP A 50 -0.109 12.150 7.043 1.00 0.00 O ATOM 689 CB ASP A 50 0.034 11.943 10.522 1.00 0.00 C ATOM 690 CG ASP A 50 -1.364 11.839 11.134 1.00 0.00 C ATOM 691 OD1 ASP A 50 -2.048 10.841 10.820 1.00 0.00 O ATOM 692 OD2 ASP A 50 -1.717 12.760 11.902 1.00 0.00 O ATOM 0 H ASP A 50 1.727 10.141 10.244 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.675 10.602 8.996 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.760 11.578 11.248 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.260 12.995 10.347 1.00 0.00 H new ATOM 697 N SER A 51 1.444 13.088 8.392 1.00 0.00 N ATOM 698 CA SER A 51 1.816 14.116 7.435 1.00 0.00 C ATOM 699 C SER A 51 2.251 13.470 6.117 1.00 0.00 C ATOM 700 O SER A 51 2.279 14.129 5.079 1.00 0.00 O ATOM 701 CB SER A 51 2.935 15.003 7.986 1.00 0.00 C ATOM 702 OG SER A 51 2.764 16.368 7.617 1.00 0.00 O ATOM 0 H SER A 51 1.955 13.121 9.274 1.00 0.00 H new ATOM 0 HA SER A 51 0.946 14.747 7.254 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.960 14.922 9.073 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.896 14.645 7.617 1.00 0.00 H new ATOM 0 HG SER A 51 3.497 16.902 7.989 1.00 0.00 H new ATOM 708 N GLY A 52 2.579 12.190 6.203 1.00 0.00 N ATOM 709 CA GLY A 52 3.011 11.448 5.030 1.00 0.00 C ATOM 710 C GLY A 52 1.963 11.522 3.918 1.00 0.00 C ATOM 711 O GLY A 52 0.778 11.709 4.188 1.00 0.00 O ATOM 0 H GLY A 52 2.555 11.647 7.066 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.958 11.850 4.669 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.188 10.407 5.299 1.00 0.00 H new ATOM 715 N PRO A 53 2.451 11.369 2.658 1.00 0.00 N ATOM 716 CA PRO A 53 1.570 11.417 1.503 1.00 0.00 C ATOM 717 C PRO A 53 0.755 10.128 1.382 1.00 0.00 C ATOM 718 O PRO A 53 -0.082 10.000 0.489 1.00 0.00 O ATOM 719 CB PRO A 53 2.490 11.652 0.316 1.00 0.00 C ATOM 720 CG PRO A 53 3.883 11.264 0.785 1.00 0.00 C ATOM 721 CD PRO A 53 3.849 11.147 2.300 1.00 0.00 C ATOM 0 HA PRO A 53 0.825 12.209 1.575 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.184 11.050 -0.540 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.461 12.695 -0.000 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.187 10.319 0.336 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.612 12.013 0.476 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.191 10.166 2.629 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.500 11.885 2.769 1.00 0.00 H new ATOM 729 N ALA A 54 1.027 9.205 2.293 1.00 0.00 N ATOM 730 CA ALA A 54 0.329 7.931 2.299 1.00 0.00 C ATOM 731 C ALA A 54 -1.011 8.091 3.019 1.00 0.00 C ATOM 732 O ALA A 54 -2.025 7.554 2.578 1.00 0.00 O ATOM 733 CB ALA A 54 1.216 6.866 2.948 1.00 0.00 C ATOM 0 H ALA A 54 1.721 9.314 3.032 1.00 0.00 H new ATOM 0 HA ALA A 54 0.119 7.604 1.281 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.692 5.910 2.953 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.142 6.770 2.382 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.446 7.159 3.972 1.00 0.00 H new ATOM 739 N ALA A 55 -0.972 8.833 4.116 1.00 0.00 N ATOM 740 CA ALA A 55 -2.170 9.071 4.902 1.00 0.00 C ATOM 741 C ALA A 55 -2.859 10.342 4.401 1.00 0.00 C ATOM 742 O ALA A 55 -4.087 10.414 4.364 1.00 0.00 O ATOM 743 CB ALA A 55 -1.801 9.154 6.384 1.00 0.00 C ATOM 0 H ALA A 55 -0.129 9.277 4.479 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.874 8.247 4.787 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.700 9.333 6.973 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.342 8.217 6.698 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.098 9.972 6.539 1.00 0.00 H new ATOM 749 N LYS A 56 -2.039 11.314 4.027 1.00 0.00 N ATOM 750 CA LYS A 56 -2.554 12.578 3.530 1.00 0.00 C ATOM 751 C LYS A 56 -3.498 12.313 2.355 1.00 0.00 C ATOM 752 O LYS A 56 -4.715 12.272 2.529 1.00 0.00 O ATOM 753 CB LYS A 56 -1.404 13.529 3.192 1.00 0.00 C ATOM 754 CG LYS A 56 -1.034 14.393 4.400 1.00 0.00 C ATOM 755 CD LYS A 56 -2.004 15.566 4.553 1.00 0.00 C ATOM 756 CE LYS A 56 -1.398 16.668 5.424 1.00 0.00 C ATOM 757 NZ LYS A 56 -1.844 18.000 4.959 1.00 0.00 N ATOM 0 H LYS A 56 -1.021 11.251 4.058 1.00 0.00 H new ATOM 0 HA LYS A 56 -3.138 13.081 4.301 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.535 12.955 2.871 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.690 14.168 2.357 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.048 13.785 5.304 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.018 14.770 4.285 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.251 15.969 3.571 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.936 15.217 4.998 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.693 16.522 6.463 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.310 16.610 5.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.424 18.737 5.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.541 18.143 3.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.881 18.058 5.014 1.00 0.00 H new ATOM 771 N GLU A 57 -2.901 12.140 1.185 1.00 0.00 N ATOM 772 CA GLU A 57 -3.673 11.880 -0.018 1.00 0.00 C ATOM 773 C GLU A 57 -3.636 10.389 -0.360 1.00 0.00 C ATOM 774 O GLU A 57 -4.580 9.859 -0.945 1.00 0.00 O ATOM 775 CB GLU A 57 -3.165 12.724 -1.188 1.00 0.00 C ATOM 776 CG GLU A 57 -3.431 14.211 -0.948 1.00 0.00 C ATOM 777 CD GLU A 57 -2.921 15.056 -2.117 1.00 0.00 C ATOM 778 OE1 GLU A 57 -3.588 15.024 -3.173 1.00 0.00 O ATOM 779 OE2 GLU A 57 -1.875 15.713 -1.928 1.00 0.00 O ATOM 0 H GLU A 57 -1.891 12.175 1.045 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.709 12.164 0.169 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.096 12.559 -1.323 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.655 12.407 -2.109 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.500 14.376 -0.815 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.943 14.527 -0.026 1.00 0.00 H new ATOM 786 N GLY A 58 -2.537 9.754 0.019 1.00 0.00 N ATOM 787 CA GLY A 58 -2.365 8.335 -0.241 1.00 0.00 C ATOM 788 C GLY A 58 -3.695 7.590 -0.119 1.00 0.00 C ATOM 789 O GLY A 58 -4.157 6.976 -1.080 1.00 0.00 O ATOM 0 H GLY A 58 -1.756 10.196 0.504 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.954 8.192 -1.241 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.644 7.918 0.462 1.00 0.00 H new ATOM 793 N GLY A 59 -4.274 7.668 1.070 1.00 0.00 N ATOM 794 CA GLY A 59 -5.542 7.009 1.330 1.00 0.00 C ATOM 795 C GLY A 59 -5.333 5.694 2.084 1.00 0.00 C ATOM 796 O GLY A 59 -6.293 5.080 2.546 1.00 0.00 O ATOM 0 H GLY A 59 -3.888 8.178 1.864 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.185 7.668 1.913 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.055 6.815 0.388 1.00 0.00 H new ATOM 800 N LEU A 60 -4.071 5.301 2.184 1.00 0.00 N ATOM 801 CA LEU A 60 -3.723 4.071 2.873 1.00 0.00 C ATOM 802 C LEU A 60 -4.289 4.110 4.294 1.00 0.00 C ATOM 803 O LEU A 60 -4.706 5.164 4.771 1.00 0.00 O ATOM 804 CB LEU A 60 -2.213 3.835 2.819 1.00 0.00 C ATOM 805 CG LEU A 60 -1.755 2.381 2.959 1.00 0.00 C ATOM 806 CD1 LEU A 60 -2.549 1.465 2.026 1.00 0.00 C ATOM 807 CD2 LEU A 60 -0.247 2.258 2.736 1.00 0.00 C ATOM 0 H LEU A 60 -3.277 5.813 1.799 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.174 3.214 2.373 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.838 4.223 1.872 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.745 4.420 3.611 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.957 2.055 3.979 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.204 0.438 2.145 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.609 1.523 2.274 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.400 1.780 0.993 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.052 1.215 2.841 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.002 2.608 1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.280 2.863 3.474 1.00 0.00 H new ATOM 819 N GLN A 61 -4.284 2.948 4.931 1.00 0.00 N ATOM 820 CA GLN A 61 -4.791 2.836 6.288 1.00 0.00 C ATOM 821 C GLN A 61 -4.169 1.627 6.989 1.00 0.00 C ATOM 822 O GLN A 61 -4.170 0.522 6.448 1.00 0.00 O ATOM 823 CB GLN A 61 -6.318 2.750 6.297 1.00 0.00 C ATOM 824 CG GLN A 61 -6.941 4.094 6.681 1.00 0.00 C ATOM 825 CD GLN A 61 -8.396 4.176 6.215 1.00 0.00 C ATOM 826 OE1 GLN A 61 -9.308 4.433 6.984 1.00 0.00 O ATOM 827 NE2 GLN A 61 -8.562 3.946 4.916 1.00 0.00 N ATOM 0 H GLN A 61 -3.937 2.076 4.532 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.508 3.734 6.836 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.675 2.448 5.312 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.638 1.982 7.001 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.894 4.225 7.762 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.366 4.906 6.236 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.755 3.736 4.328 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -9.496 3.979 4.507 1.00 0.00 H new ATOM 836 N ILE A 62 -3.653 1.876 8.184 1.00 0.00 N ATOM 837 CA ILE A 62 -3.029 0.821 8.965 1.00 0.00 C ATOM 838 C ILE A 62 -3.892 -0.440 8.891 1.00 0.00 C ATOM 839 O ILE A 62 -5.094 -0.360 8.643 1.00 0.00 O ATOM 840 CB ILE A 62 -2.759 1.300 10.393 1.00 0.00 C ATOM 841 CG1 ILE A 62 -2.017 2.638 10.392 1.00 0.00 C ATOM 842 CG2 ILE A 62 -2.015 0.232 11.197 1.00 0.00 C ATOM 843 CD1 ILE A 62 -1.099 2.757 11.610 1.00 0.00 C ATOM 0 H ILE A 62 -3.654 2.793 8.630 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.054 0.565 8.550 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.717 1.465 10.885 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.429 2.731 9.479 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.736 3.457 10.393 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.835 0.597 12.208 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.617 -0.676 11.241 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.062 0.013 10.716 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.584 3.717 11.585 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.693 2.688 12.521 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.365 1.951 11.593 1.00 0.00 H new ATOM 855 N HIS A 63 -3.245 -1.575 9.112 1.00 0.00 N ATOM 856 CA HIS A 63 -3.938 -2.851 9.074 1.00 0.00 C ATOM 857 C HIS A 63 -4.545 -3.064 7.686 1.00 0.00 C ATOM 858 O HIS A 63 -5.700 -3.468 7.564 1.00 0.00 O ATOM 859 CB HIS A 63 -4.976 -2.939 10.194 1.00 0.00 C ATOM 860 CG HIS A 63 -4.472 -2.466 11.537 1.00 0.00 C ATOM 861 ND1 HIS A 63 -3.275 -2.665 12.160 1.00 0.00 N flip ATOM 862 CD2 HIS A 63 -5.236 -1.694 12.395 1.00 0.00 C flip ATOM 863 CE1 HIS A 63 -3.305 -2.047 13.334 1.00 0.00 C flip ATOM 864 NE2 HIS A 63 -4.520 -1.444 13.482 1.00 0.00 N flip ATOM 0 H HIS A 63 -2.248 -1.637 9.318 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.228 -3.659 9.251 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -5.847 -2.347 9.915 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.309 -3.973 10.286 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -6.244 -1.353 12.210 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -2.500 -2.025 14.054 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -4.824 -0.897 14.288 1.00 0.00 H new ATOM 872 N ASP A 64 -3.738 -2.784 6.673 1.00 0.00 N ATOM 873 CA ASP A 64 -4.181 -2.940 5.298 1.00 0.00 C ATOM 874 C ASP A 64 -3.164 -3.790 4.533 1.00 0.00 C ATOM 875 O ASP A 64 -1.960 -3.559 4.627 1.00 0.00 O ATOM 876 CB ASP A 64 -4.287 -1.585 4.596 1.00 0.00 C ATOM 877 CG ASP A 64 -5.615 -0.853 4.800 1.00 0.00 C ATOM 878 OD1 ASP A 64 -6.363 -1.278 5.707 1.00 0.00 O ATOM 879 OD2 ASP A 64 -5.852 0.114 4.045 1.00 0.00 O ATOM 0 H ASP A 64 -2.780 -2.450 6.777 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.161 -3.417 5.312 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.479 -0.945 4.950 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.132 -1.733 3.527 1.00 0.00 H new ATOM 884 N ARG A 65 -3.687 -4.756 3.792 1.00 0.00 N ATOM 885 CA ARG A 65 -2.840 -5.642 3.011 1.00 0.00 C ATOM 886 C ARG A 65 -2.781 -5.173 1.556 1.00 0.00 C ATOM 887 O ARG A 65 -3.772 -5.258 0.832 1.00 0.00 O ATOM 888 CB ARG A 65 -3.359 -7.081 3.056 1.00 0.00 C ATOM 889 CG ARG A 65 -2.248 -8.075 2.712 1.00 0.00 C ATOM 890 CD ARG A 65 -2.832 -9.398 2.212 1.00 0.00 C ATOM 891 NE ARG A 65 -1.747 -10.273 1.713 1.00 0.00 N ATOM 892 CZ ARG A 65 -1.913 -11.561 1.383 1.00 0.00 C ATOM 893 NH1 ARG A 65 -3.121 -12.132 1.497 1.00 0.00 N ATOM 894 NH2 ARG A 65 -0.873 -12.278 0.938 1.00 0.00 N ATOM 0 H ARG A 65 -4.687 -4.945 3.716 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.841 -5.615 3.446 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.752 -7.299 4.049 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.185 -7.196 2.354 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.597 -7.649 1.948 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.631 -8.255 3.592 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.370 -9.896 3.019 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.553 -9.209 1.417 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.815 -9.870 1.614 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.913 -11.586 1.835 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.247 -13.112 1.246 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.046 -11.844 0.850 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.000 -13.258 0.687 1.00 0.00 H new ATOM 908 N ILE A 66 -1.609 -4.690 1.170 1.00 0.00 N ATOM 909 CA ILE A 66 -1.408 -4.208 -0.185 1.00 0.00 C ATOM 910 C ILE A 66 -1.581 -5.369 -1.166 1.00 0.00 C ATOM 911 O ILE A 66 -1.153 -6.489 -0.890 1.00 0.00 O ATOM 912 CB ILE A 66 -0.059 -3.497 -0.307 1.00 0.00 C ATOM 913 CG1 ILE A 66 0.243 -2.677 0.949 1.00 0.00 C ATOM 914 CG2 ILE A 66 -0.001 -2.644 -1.576 1.00 0.00 C ATOM 915 CD1 ILE A 66 1.244 -1.559 0.647 1.00 0.00 C ATOM 0 H ILE A 66 -0.789 -4.622 1.773 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.160 -3.461 -0.438 1.00 0.00 H new ATOM 0 HB ILE A 66 0.720 -4.254 -0.393 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.680 -2.248 1.338 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.644 -3.329 1.725 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.968 -2.150 -1.638 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.140 -3.281 -2.449 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.790 -1.893 -1.546 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.441 -0.992 1.557 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.175 -1.993 0.281 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.830 -0.895 -0.112 1.00 0.00 H new ATOM 927 N ILE A 67 -2.210 -5.063 -2.291 1.00 0.00 N ATOM 928 CA ILE A 67 -2.445 -6.068 -3.314 1.00 0.00 C ATOM 929 C ILE A 67 -1.519 -5.805 -4.503 1.00 0.00 C ATOM 930 O ILE A 67 -0.918 -6.733 -5.043 1.00 0.00 O ATOM 931 CB ILE A 67 -3.928 -6.114 -3.689 1.00 0.00 C ATOM 932 CG1 ILE A 67 -4.800 -5.599 -2.542 1.00 0.00 C ATOM 933 CG2 ILE A 67 -4.338 -7.520 -4.133 1.00 0.00 C ATOM 934 CD1 ILE A 67 -4.833 -6.599 -1.385 1.00 0.00 C ATOM 0 H ILE A 67 -2.564 -4.133 -2.517 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.204 -7.061 -2.935 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.086 -5.449 -4.538 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.415 -4.642 -2.189 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.813 -5.421 -2.903 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.396 -7.525 -4.394 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.749 -7.814 -5.002 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.161 -8.224 -3.320 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.460 -6.208 -0.584 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.241 -7.547 -1.735 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.821 -6.756 -1.011 1.00 0.00 H new ATOM 946 N GLU A 68 -1.433 -4.537 -4.877 1.00 0.00 N ATOM 947 CA GLU A 68 -0.590 -4.141 -5.992 1.00 0.00 C ATOM 948 C GLU A 68 -0.099 -2.704 -5.802 1.00 0.00 C ATOM 949 O GLU A 68 -0.755 -1.903 -5.139 1.00 0.00 O ATOM 950 CB GLU A 68 -1.331 -4.296 -7.321 1.00 0.00 C ATOM 951 CG GLU A 68 -0.496 -5.095 -8.324 1.00 0.00 C ATOM 952 CD GLU A 68 -1.210 -6.387 -8.726 1.00 0.00 C ATOM 953 OE1 GLU A 68 -1.767 -7.035 -7.813 1.00 0.00 O ATOM 954 OE2 GLU A 68 -1.183 -6.698 -9.936 1.00 0.00 O ATOM 0 H GLU A 68 -1.933 -3.770 -4.427 1.00 0.00 H new ATOM 0 HA GLU A 68 0.278 -4.800 -6.018 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.284 -4.798 -7.154 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.557 -3.312 -7.732 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.307 -4.489 -9.210 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.474 -5.332 -7.888 1.00 0.00 H new ATOM 961 N VAL A 69 1.052 -2.423 -6.395 1.00 0.00 N ATOM 962 CA VAL A 69 1.638 -1.097 -6.300 1.00 0.00 C ATOM 963 C VAL A 69 2.247 -0.715 -7.650 1.00 0.00 C ATOM 964 O VAL A 69 3.220 -1.325 -8.091 1.00 0.00 O ATOM 965 CB VAL A 69 2.651 -1.054 -5.154 1.00 0.00 C ATOM 966 CG1 VAL A 69 4.069 -1.316 -5.665 1.00 0.00 C ATOM 967 CG2 VAL A 69 2.576 0.278 -4.405 1.00 0.00 C ATOM 0 H VAL A 69 1.594 -3.091 -6.943 1.00 0.00 H new ATOM 0 HA VAL A 69 0.872 -0.357 -6.068 1.00 0.00 H new ATOM 0 HB VAL A 69 2.396 -1.848 -4.452 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.769 -1.280 -4.830 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.112 -2.300 -6.132 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.338 -0.555 -6.398 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.306 0.282 -3.596 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.793 1.095 -5.093 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.576 0.407 -3.992 1.00 0.00 H new ATOM 977 N ASN A 70 1.650 0.293 -8.269 1.00 0.00 N ATOM 978 CA ASN A 70 2.121 0.764 -9.561 1.00 0.00 C ATOM 979 C ASN A 70 1.750 -0.258 -10.637 1.00 0.00 C ATOM 980 O ASN A 70 1.221 0.106 -11.687 1.00 0.00 O ATOM 981 CB ASN A 70 3.642 0.925 -9.566 1.00 0.00 C ATOM 982 CG ASN A 70 4.071 2.048 -10.512 1.00 0.00 C ATOM 983 OD1 ASN A 70 4.491 3.147 -9.892 1.00 0.00 O flip ATOM 984 ND2 ASN A 70 4.025 1.924 -11.725 1.00 0.00 N flip ATOM 0 H ASN A 70 0.844 0.797 -7.900 1.00 0.00 H new ATOM 0 HA ASN A 70 1.655 1.729 -9.759 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.992 1.141 -8.557 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.109 -0.011 -9.871 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.692 1.052 -12.136 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.320 2.692 -12.328 1.00 0.00 H new ATOM 991 N GLY A 71 2.040 -1.516 -10.340 1.00 0.00 N ATOM 992 CA GLY A 71 1.744 -2.592 -11.270 1.00 0.00 C ATOM 993 C GLY A 71 2.579 -3.835 -10.955 1.00 0.00 C ATOM 994 O GLY A 71 2.802 -4.675 -11.825 1.00 0.00 O ATOM 0 H GLY A 71 2.477 -1.814 -9.468 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.684 -2.840 -11.220 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.946 -2.262 -12.289 1.00 0.00 H new ATOM 998 N ARG A 72 3.019 -3.912 -9.707 1.00 0.00 N ATOM 999 CA ARG A 72 3.825 -5.038 -9.266 1.00 0.00 C ATOM 1000 C ARG A 72 3.081 -5.835 -8.193 1.00 0.00 C ATOM 1001 O ARG A 72 2.517 -5.258 -7.265 1.00 0.00 O ATOM 1002 CB ARG A 72 5.167 -4.567 -8.704 1.00 0.00 C ATOM 1003 CG ARG A 72 6.330 -5.090 -9.550 1.00 0.00 C ATOM 1004 CD ARG A 72 7.657 -4.960 -8.799 1.00 0.00 C ATOM 1005 NE ARG A 72 8.698 -5.772 -9.466 1.00 0.00 N ATOM 1006 CZ ARG A 72 9.825 -6.186 -8.871 1.00 0.00 C ATOM 1007 NH1 ARG A 72 10.062 -5.868 -7.591 1.00 0.00 N ATOM 1008 NH2 ARG A 72 10.714 -6.919 -9.554 1.00 0.00 N ATOM 0 H ARG A 72 2.833 -3.213 -8.988 1.00 0.00 H new ATOM 0 HA ARG A 72 4.010 -5.674 -10.132 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.192 -3.478 -8.678 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.276 -4.913 -7.676 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.155 -6.134 -9.809 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.382 -4.534 -10.486 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.965 -3.915 -8.766 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.534 -5.288 -7.767 1.00 0.00 H new ATOM 0 HE ARG A 72 8.549 -6.033 -10.441 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.385 -5.311 -7.070 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.920 -6.183 -7.138 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.533 -7.162 -10.528 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.572 -7.234 -9.100 1.00 0.00 H new ATOM 1022 N ASP A 73 3.104 -7.150 -8.355 1.00 0.00 N ATOM 1023 CA ASP A 73 2.438 -8.032 -7.412 1.00 0.00 C ATOM 1024 C ASP A 73 3.215 -8.040 -6.093 1.00 0.00 C ATOM 1025 O ASP A 73 4.394 -8.388 -6.066 1.00 0.00 O ATOM 1026 CB ASP A 73 2.389 -9.467 -7.940 1.00 0.00 C ATOM 1027 CG ASP A 73 1.300 -10.347 -7.323 1.00 0.00 C ATOM 1028 OD1 ASP A 73 0.966 -10.094 -6.145 1.00 0.00 O ATOM 1029 OD2 ASP A 73 0.826 -11.252 -8.043 1.00 0.00 O ATOM 0 H ASP A 73 3.574 -7.626 -9.125 1.00 0.00 H new ATOM 0 HA ASP A 73 1.421 -7.666 -7.268 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.241 -9.436 -9.020 1.00 0.00 H new ATOM 0 HB3 ASP A 73 3.357 -9.936 -7.764 1.00 0.00 H new ATOM 1034 N LEU A 74 2.521 -7.653 -5.033 1.00 0.00 N ATOM 1035 CA LEU A 74 3.130 -7.611 -3.715 1.00 0.00 C ATOM 1036 C LEU A 74 2.192 -8.271 -2.703 1.00 0.00 C ATOM 1037 O LEU A 74 2.358 -8.103 -1.495 1.00 0.00 O ATOM 1038 CB LEU A 74 3.519 -6.177 -3.349 1.00 0.00 C ATOM 1039 CG LEU A 74 4.044 -5.311 -4.497 1.00 0.00 C ATOM 1040 CD1 LEU A 74 4.424 -3.915 -4.000 1.00 0.00 C ATOM 1041 CD2 LEU A 74 5.205 -6.000 -5.216 1.00 0.00 C ATOM 0 H LEU A 74 1.543 -7.366 -5.060 1.00 0.00 H new ATOM 0 HA LEU A 74 4.059 -8.180 -3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.648 -5.684 -2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.282 -6.216 -2.571 1.00 0.00 H new ATOM 0 HG LEU A 74 3.243 -5.186 -5.226 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.794 -3.320 -4.835 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.547 -3.431 -3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.202 -3.998 -3.241 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.560 -5.364 -6.027 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.017 -6.175 -4.511 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.867 -6.953 -5.623 1.00 0.00 H new ATOM 1053 N SER A 75 1.226 -9.007 -3.232 1.00 0.00 N ATOM 1054 CA SER A 75 0.260 -9.693 -2.390 1.00 0.00 C ATOM 1055 C SER A 75 0.960 -10.777 -1.568 1.00 0.00 C ATOM 1056 O SER A 75 0.742 -10.885 -0.362 1.00 0.00 O ATOM 1057 CB SER A 75 -0.865 -10.304 -3.227 1.00 0.00 C ATOM 1058 OG SER A 75 -1.513 -11.377 -2.548 1.00 0.00 O ATOM 0 H SER A 75 1.091 -9.144 -4.234 1.00 0.00 H new ATOM 0 HA SER A 75 -0.184 -8.963 -1.713 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.597 -9.533 -3.469 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.459 -10.665 -4.172 1.00 0.00 H new ATOM 0 HG SER A 75 -2.226 -11.739 -3.114 1.00 0.00 H new ATOM 1064 N ARG A 76 1.786 -11.554 -2.253 1.00 0.00 N ATOM 1065 CA ARG A 76 2.519 -12.626 -1.602 1.00 0.00 C ATOM 1066 C ARG A 76 4.019 -12.323 -1.606 1.00 0.00 C ATOM 1067 O ARG A 76 4.839 -13.230 -1.475 1.00 0.00 O ATOM 1068 CB ARG A 76 2.274 -13.964 -2.302 1.00 0.00 C ATOM 1069 CG ARG A 76 2.852 -13.956 -3.719 1.00 0.00 C ATOM 1070 CD ARG A 76 2.670 -15.318 -4.393 1.00 0.00 C ATOM 1071 NE ARG A 76 2.807 -15.179 -5.859 1.00 0.00 N ATOM 1072 CZ ARG A 76 3.056 -16.200 -6.691 1.00 0.00 C ATOM 1073 NH1 ARG A 76 3.196 -17.440 -6.205 1.00 0.00 N ATOM 1074 NH2 ARG A 76 3.164 -15.980 -8.008 1.00 0.00 N ATOM 0 H ARG A 76 1.964 -11.462 -3.253 1.00 0.00 H new ATOM 0 HA ARG A 76 2.162 -12.695 -0.574 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.729 -14.769 -1.725 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.204 -14.166 -2.343 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.361 -13.184 -4.312 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.912 -13.703 -3.682 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.412 -16.022 -4.015 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.689 -15.726 -4.148 1.00 0.00 H new ATOM 0 HE ARG A 76 2.706 -14.248 -6.262 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.113 -17.607 -5.202 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.385 -18.217 -6.838 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.057 -15.035 -8.378 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.354 -16.757 -8.641 1.00 0.00 H new ATOM 1088 N ALA A 77 4.331 -11.044 -1.759 1.00 0.00 N ATOM 1089 CA ALA A 77 5.718 -10.610 -1.782 1.00 0.00 C ATOM 1090 C ALA A 77 6.207 -10.402 -0.347 1.00 0.00 C ATOM 1091 O ALA A 77 5.411 -10.412 0.591 1.00 0.00 O ATOM 1092 CB ALA A 77 5.842 -9.343 -2.630 1.00 0.00 C ATOM 0 H ALA A 77 3.648 -10.295 -1.868 1.00 0.00 H new ATOM 0 HA ALA A 77 6.351 -11.371 -2.238 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.882 -9.017 -2.647 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.510 -9.552 -3.647 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.222 -8.556 -2.201 1.00 0.00 H new ATOM 1098 N THR A 78 7.513 -10.218 -0.222 1.00 0.00 N ATOM 1099 CA THR A 78 8.117 -10.008 1.083 1.00 0.00 C ATOM 1100 C THR A 78 8.385 -8.519 1.313 1.00 0.00 C ATOM 1101 O THR A 78 8.258 -7.713 0.393 1.00 0.00 O ATOM 1102 CB THR A 78 9.377 -10.872 1.165 1.00 0.00 C ATOM 1103 OG1 THR A 78 9.888 -10.616 2.471 1.00 0.00 O ATOM 1104 CG2 THR A 78 10.484 -10.383 0.229 1.00 0.00 C ATOM 0 H THR A 78 8.170 -10.210 -1.002 1.00 0.00 H new ATOM 0 HA THR A 78 7.444 -10.313 1.884 1.00 0.00 H new ATOM 0 HB THR A 78 9.126 -11.904 0.922 1.00 0.00 H new ATOM 0 HG1 THR A 78 10.706 -11.138 2.610 1.00 0.00 H new ATOM 0 HG21 THR A 78 11.355 -11.031 0.326 1.00 0.00 H new ATOM 0 HG22 THR A 78 10.127 -10.407 -0.801 1.00 0.00 H new ATOM 0 HG23 THR A 78 10.760 -9.362 0.493 1.00 0.00 H new ATOM 1112 N HIS A 79 8.750 -8.200 2.546 1.00 0.00 N ATOM 1113 CA HIS A 79 9.037 -6.823 2.909 1.00 0.00 C ATOM 1114 C HIS A 79 10.105 -6.257 1.971 1.00 0.00 C ATOM 1115 O HIS A 79 10.057 -5.083 1.606 1.00 0.00 O ATOM 1116 CB HIS A 79 9.429 -6.720 4.384 1.00 0.00 C ATOM 1117 CG HIS A 79 9.508 -5.303 4.901 1.00 0.00 C ATOM 1118 ND1 HIS A 79 8.529 -4.449 5.316 1.00 0.00 N flip ATOM 1119 CD2 HIS A 79 10.704 -4.619 5.033 1.00 0.00 C flip ATOM 1120 CE1 HIS A 79 9.096 -3.306 5.682 1.00 0.00 C flip ATOM 1121 NE2 HIS A 79 10.444 -3.410 5.507 1.00 0.00 N flip ATOM 0 H HIS A 79 8.854 -8.872 3.306 1.00 0.00 H new ATOM 0 HA HIS A 79 8.139 -6.217 2.789 1.00 0.00 H new ATOM 0 HB2 HIS A 79 8.705 -7.274 4.981 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.396 -7.203 4.527 1.00 0.00 H new ATOM 0 HD2 HIS A 79 11.683 -5.006 4.791 1.00 0.00 H new ATOM 0 HE1 HIS A 79 8.575 -2.437 6.057 1.00 0.00 H new ATOM 0 HE2 HIS A 79 11.132 -2.684 5.706 1.00 0.00 H new ATOM 1129 N ASP A 80 11.043 -7.118 1.607 1.00 0.00 N ATOM 1130 CA ASP A 80 12.121 -6.719 0.718 1.00 0.00 C ATOM 1131 C ASP A 80 11.539 -6.340 -0.645 1.00 0.00 C ATOM 1132 O ASP A 80 11.855 -5.281 -1.187 1.00 0.00 O ATOM 1133 CB ASP A 80 13.114 -7.864 0.506 1.00 0.00 C ATOM 1134 CG ASP A 80 14.581 -7.500 0.741 1.00 0.00 C ATOM 1135 OD1 ASP A 80 14.909 -7.187 1.906 1.00 0.00 O ATOM 1136 OD2 ASP A 80 15.342 -7.542 -0.250 1.00 0.00 O ATOM 0 H ASP A 80 11.079 -8.091 1.911 1.00 0.00 H new ATOM 0 HA ASP A 80 12.637 -5.874 1.174 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.848 -8.684 1.173 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.006 -8.234 -0.513 1.00 0.00 H new ATOM 1141 N GLN A 81 10.699 -7.225 -1.161 1.00 0.00 N ATOM 1142 CA GLN A 81 10.070 -6.997 -2.451 1.00 0.00 C ATOM 1143 C GLN A 81 9.153 -5.774 -2.385 1.00 0.00 C ATOM 1144 O GLN A 81 9.244 -4.879 -3.224 1.00 0.00 O ATOM 1145 CB GLN A 81 9.299 -8.236 -2.911 1.00 0.00 C ATOM 1146 CG GLN A 81 10.209 -9.191 -3.685 1.00 0.00 C ATOM 1147 CD GLN A 81 9.603 -9.546 -5.045 1.00 0.00 C ATOM 1148 OE1 GLN A 81 9.335 -8.693 -5.875 1.00 0.00 O ATOM 1149 NE2 GLN A 81 9.403 -10.848 -5.225 1.00 0.00 N ATOM 0 H GLN A 81 10.439 -8.102 -0.709 1.00 0.00 H new ATOM 0 HA GLN A 81 10.851 -6.802 -3.186 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.879 -8.749 -2.046 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.462 -7.935 -3.541 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.187 -8.731 -3.828 1.00 0.00 H new ATOM 0 HG3 GLN A 81 10.366 -10.100 -3.104 1.00 0.00 H new ATOM 0 HE21 GLN A 81 9.650 -11.509 -4.488 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.002 -11.186 -6.100 1.00 0.00 H new ATOM 1158 N ALA A 82 8.290 -5.774 -1.379 1.00 0.00 N ATOM 1159 CA ALA A 82 7.357 -4.676 -1.193 1.00 0.00 C ATOM 1160 C ALA A 82 8.131 -3.356 -1.164 1.00 0.00 C ATOM 1161 O ALA A 82 7.850 -2.451 -1.948 1.00 0.00 O ATOM 1162 CB ALA A 82 6.547 -4.905 0.085 1.00 0.00 C ATOM 0 H ALA A 82 8.218 -6.517 -0.684 1.00 0.00 H new ATOM 0 HA ALA A 82 6.651 -4.627 -2.022 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.847 -4.081 0.225 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.994 -5.841 0.003 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.222 -4.956 0.939 1.00 0.00 H new ATOM 1168 N VAL A 83 9.088 -3.287 -0.251 1.00 0.00 N ATOM 1169 CA VAL A 83 9.904 -2.093 -0.109 1.00 0.00 C ATOM 1170 C VAL A 83 10.502 -1.725 -1.468 1.00 0.00 C ATOM 1171 O VAL A 83 10.337 -0.601 -1.940 1.00 0.00 O ATOM 1172 CB VAL A 83 10.964 -2.309 0.972 1.00 0.00 C ATOM 1173 CG1 VAL A 83 12.006 -1.188 0.950 1.00 0.00 C ATOM 1174 CG2 VAL A 83 10.320 -2.431 2.355 1.00 0.00 C ATOM 0 H VAL A 83 9.317 -4.039 0.399 1.00 0.00 H new ATOM 0 HA VAL A 83 9.294 -1.250 0.217 1.00 0.00 H new ATOM 0 HB VAL A 83 11.476 -3.247 0.756 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.748 -1.366 1.728 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.498 -1.168 -0.022 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.515 -0.231 1.128 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.096 -2.584 3.105 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.770 -1.518 2.582 1.00 0.00 H new ATOM 0 HG23 VAL A 83 9.635 -3.278 2.364 1.00 0.00 H new ATOM 1184 N GLU A 84 11.185 -2.695 -2.060 1.00 0.00 N ATOM 1185 CA GLU A 84 11.809 -2.487 -3.356 1.00 0.00 C ATOM 1186 C GLU A 84 10.800 -1.894 -4.342 1.00 0.00 C ATOM 1187 O GLU A 84 11.094 -0.910 -5.019 1.00 0.00 O ATOM 1188 CB GLU A 84 12.400 -3.791 -3.895 1.00 0.00 C ATOM 1189 CG GLU A 84 13.653 -3.520 -4.731 1.00 0.00 C ATOM 1190 CD GLU A 84 14.919 -3.660 -3.883 1.00 0.00 C ATOM 1191 OE1 GLU A 84 15.202 -4.805 -3.471 1.00 0.00 O ATOM 1192 OE2 GLU A 84 15.574 -2.617 -3.667 1.00 0.00 O ATOM 0 H GLU A 84 11.320 -3.626 -1.666 1.00 0.00 H new ATOM 0 HA GLU A 84 12.628 -1.778 -3.234 1.00 0.00 H new ATOM 0 HB2 GLU A 84 12.648 -4.453 -3.065 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.657 -4.307 -4.503 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.693 -4.216 -5.569 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.603 -2.516 -5.153 1.00 0.00 H new ATOM 1199 N ALA A 85 9.632 -2.517 -4.390 1.00 0.00 N ATOM 1200 CA ALA A 85 8.578 -2.063 -5.282 1.00 0.00 C ATOM 1201 C ALA A 85 8.320 -0.574 -5.042 1.00 0.00 C ATOM 1202 O ALA A 85 8.361 0.225 -5.976 1.00 0.00 O ATOM 1203 CB ALA A 85 7.325 -2.914 -5.067 1.00 0.00 C ATOM 0 H ALA A 85 9.392 -3.332 -3.826 1.00 0.00 H new ATOM 0 HA ALA A 85 8.878 -2.182 -6.323 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.535 -2.573 -5.736 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.554 -3.959 -5.278 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.992 -2.817 -4.034 1.00 0.00 H new ATOM 1209 N PHE A 86 8.058 -0.246 -3.785 1.00 0.00 N ATOM 1210 CA PHE A 86 7.793 1.132 -3.411 1.00 0.00 C ATOM 1211 C PHE A 86 9.029 2.008 -3.630 1.00 0.00 C ATOM 1212 O PHE A 86 8.910 3.215 -3.831 1.00 0.00 O ATOM 1213 CB PHE A 86 7.441 1.132 -1.922 1.00 0.00 C ATOM 1214 CG PHE A 86 5.976 0.800 -1.629 1.00 0.00 C ATOM 1215 CD1 PHE A 86 5.004 1.711 -1.907 1.00 0.00 C ATOM 1216 CD2 PHE A 86 5.645 -0.404 -1.092 1.00 0.00 C ATOM 1217 CE1 PHE A 86 3.645 1.403 -1.635 1.00 0.00 C ATOM 1218 CE2 PHE A 86 4.286 -0.712 -0.820 1.00 0.00 C ATOM 1219 CZ PHE A 86 3.314 0.199 -1.097 1.00 0.00 C ATOM 0 H PHE A 86 8.024 -0.912 -3.013 1.00 0.00 H new ATOM 0 HA PHE A 86 6.984 1.533 -4.021 1.00 0.00 H new ATOM 0 HB2 PHE A 86 8.076 0.410 -1.409 1.00 0.00 H new ATOM 0 HB3 PHE A 86 7.671 2.112 -1.505 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.266 2.668 -2.334 1.00 0.00 H new ATOM 0 HD2 PHE A 86 6.417 -1.127 -0.872 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.873 2.126 -1.856 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.024 -1.669 -0.393 1.00 0.00 H new ATOM 0 HZ PHE A 86 2.280 -0.034 -0.890 1.00 0.00 H new ATOM 1229 N LYS A 87 10.186 1.364 -3.584 1.00 0.00 N ATOM 1230 CA LYS A 87 11.442 2.069 -3.775 1.00 0.00 C ATOM 1231 C LYS A 87 11.638 2.359 -5.264 1.00 0.00 C ATOM 1232 O LYS A 87 12.118 3.429 -5.634 1.00 0.00 O ATOM 1233 CB LYS A 87 12.596 1.288 -3.144 1.00 0.00 C ATOM 1234 CG LYS A 87 13.946 1.802 -3.646 1.00 0.00 C ATOM 1235 CD LYS A 87 15.093 0.931 -3.129 1.00 0.00 C ATOM 1236 CE LYS A 87 15.799 1.598 -1.947 1.00 0.00 C ATOM 1237 NZ LYS A 87 17.103 0.948 -1.688 1.00 0.00 N ATOM 0 H LYS A 87 10.280 0.362 -3.417 1.00 0.00 H new ATOM 0 HA LYS A 87 11.420 3.031 -3.263 1.00 0.00 H new ATOM 0 HB2 LYS A 87 12.550 1.378 -2.059 1.00 0.00 H new ATOM 0 HB3 LYS A 87 12.495 0.229 -3.381 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.953 1.809 -4.736 1.00 0.00 H new ATOM 0 HG3 LYS A 87 14.091 2.832 -3.319 1.00 0.00 H new ATOM 0 HD2 LYS A 87 14.707 -0.042 -2.825 1.00 0.00 H new ATOM 0 HD3 LYS A 87 15.809 0.753 -3.931 1.00 0.00 H new ATOM 0 HE2 LYS A 87 15.949 2.657 -2.156 1.00 0.00 H new ATOM 0 HE3 LYS A 87 15.171 1.534 -1.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 17.569 1.413 -0.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 16.952 -0.057 -1.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 17.706 1.031 -2.531 1.00 0.00 H new ATOM 1251 N THR A 88 11.255 1.387 -6.079 1.00 0.00 N ATOM 1252 CA THR A 88 11.383 1.524 -7.520 1.00 0.00 C ATOM 1253 C THR A 88 10.042 1.927 -8.138 1.00 0.00 C ATOM 1254 O THR A 88 9.902 1.958 -9.360 1.00 0.00 O ATOM 1255 CB THR A 88 11.937 0.210 -8.073 1.00 0.00 C ATOM 1256 OG1 THR A 88 10.836 -0.692 -7.994 1.00 0.00 O ATOM 1257 CG2 THR A 88 12.994 -0.411 -7.158 1.00 0.00 C ATOM 0 H THR A 88 10.856 0.501 -5.769 1.00 0.00 H new ATOM 0 HA THR A 88 12.079 2.321 -7.781 1.00 0.00 H new ATOM 0 HB THR A 88 12.368 0.384 -9.059 1.00 0.00 H new ATOM 0 HG1 THR A 88 10.729 -0.997 -7.069 1.00 0.00 H new ATOM 0 HG21 THR A 88 13.354 -1.341 -7.597 1.00 0.00 H new ATOM 0 HG22 THR A 88 13.827 0.282 -7.042 1.00 0.00 H new ATOM 0 HG23 THR A 88 12.555 -0.617 -6.182 1.00 0.00 H new ATOM 1265 N ALA A 89 9.090 2.224 -7.266 1.00 0.00 N ATOM 1266 CA ALA A 89 7.766 2.623 -7.710 1.00 0.00 C ATOM 1267 C ALA A 89 7.831 4.039 -8.287 1.00 0.00 C ATOM 1268 O ALA A 89 8.526 4.900 -7.750 1.00 0.00 O ATOM 1269 CB ALA A 89 6.781 2.513 -6.545 1.00 0.00 C ATOM 0 H ALA A 89 9.210 2.196 -6.253 1.00 0.00 H new ATOM 0 HA ALA A 89 7.411 1.961 -8.500 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.788 2.813 -6.879 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.749 1.482 -6.191 1.00 0.00 H new ATOM 0 HB3 ALA A 89 7.103 3.165 -5.733 1.00 0.00 H new ATOM 1275 N LYS A 90 7.098 4.235 -9.373 1.00 0.00 N ATOM 1276 CA LYS A 90 7.064 5.532 -10.028 1.00 0.00 C ATOM 1277 C LYS A 90 5.744 6.232 -9.696 1.00 0.00 C ATOM 1278 O LYS A 90 4.740 5.575 -9.427 1.00 0.00 O ATOM 1279 CB LYS A 90 7.318 5.380 -11.529 1.00 0.00 C ATOM 1280 CG LYS A 90 8.799 5.579 -11.857 1.00 0.00 C ATOM 1281 CD LYS A 90 9.207 7.044 -11.687 1.00 0.00 C ATOM 1282 CE LYS A 90 10.662 7.260 -12.107 1.00 0.00 C ATOM 1283 NZ LYS A 90 11.128 8.601 -11.689 1.00 0.00 N ATOM 0 H LYS A 90 6.523 3.518 -9.816 1.00 0.00 H new ATOM 0 HA LYS A 90 7.866 6.169 -9.654 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.999 4.391 -11.857 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.719 6.107 -12.078 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.407 4.951 -11.206 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.994 5.260 -12.881 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.554 7.679 -12.286 1.00 0.00 H new ATOM 0 HD3 LYS A 90 9.077 7.343 -10.647 1.00 0.00 H new ATOM 0 HE2 LYS A 90 11.294 6.493 -11.659 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.754 7.157 -13.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 12.117 8.732 -11.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 10.536 9.329 -12.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.059 8.686 -10.655 1.00 0.00 H new ATOM 1297 N GLU A 91 5.790 7.556 -9.725 1.00 0.00 N ATOM 1298 CA GLU A 91 4.611 8.352 -9.430 1.00 0.00 C ATOM 1299 C GLU A 91 3.896 8.741 -10.725 1.00 0.00 C ATOM 1300 O GLU A 91 4.540 9.056 -11.724 1.00 0.00 O ATOM 1301 CB GLU A 91 4.977 9.592 -8.612 1.00 0.00 C ATOM 1302 CG GLU A 91 5.983 9.246 -7.512 1.00 0.00 C ATOM 1303 CD GLU A 91 6.597 10.512 -6.912 1.00 0.00 C ATOM 1304 OE1 GLU A 91 5.813 11.443 -6.627 1.00 0.00 O ATOM 1305 OE2 GLU A 91 7.837 10.521 -6.752 1.00 0.00 O ATOM 0 H GLU A 91 6.625 8.097 -9.948 1.00 0.00 H new ATOM 0 HA GLU A 91 3.930 7.749 -8.829 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.398 10.354 -9.268 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.077 10.017 -8.167 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.488 8.672 -6.729 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.771 8.614 -7.921 1.00 0.00 H new ATOM 1312 N PRO A 92 2.538 8.706 -10.664 1.00 0.00 N ATOM 1313 CA PRO A 92 1.853 8.322 -9.442 1.00 0.00 C ATOM 1314 C PRO A 92 1.936 6.811 -9.218 1.00 0.00 C ATOM 1315 O PRO A 92 1.935 6.037 -10.174 1.00 0.00 O ATOM 1316 CB PRO A 92 0.427 8.819 -9.617 1.00 0.00 C ATOM 1317 CG PRO A 92 0.245 9.046 -11.109 1.00 0.00 C ATOM 1318 CD PRO A 92 1.621 9.030 -11.754 1.00 0.00 C ATOM 0 HA PRO A 92 2.306 8.758 -8.552 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -0.290 8.088 -9.243 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.263 9.741 -9.059 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -0.387 8.269 -11.539 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -0.252 9.999 -11.292 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.676 8.289 -12.551 1.00 0.00 H new ATOM 0 HD3 PRO A 92 1.861 9.996 -12.199 1.00 0.00 H new ATOM 1326 N ILE A 93 2.007 6.436 -7.949 1.00 0.00 N ATOM 1327 CA ILE A 93 2.091 5.031 -7.587 1.00 0.00 C ATOM 1328 C ILE A 93 0.691 4.510 -7.256 1.00 0.00 C ATOM 1329 O ILE A 93 0.099 4.906 -6.253 1.00 0.00 O ATOM 1330 CB ILE A 93 3.105 4.828 -6.460 1.00 0.00 C ATOM 1331 CG1 ILE A 93 4.436 5.507 -6.791 1.00 0.00 C ATOM 1332 CG2 ILE A 93 3.283 3.341 -6.144 1.00 0.00 C ATOM 1333 CD1 ILE A 93 5.151 5.963 -5.518 1.00 0.00 C ATOM 0 H ILE A 93 2.008 7.081 -7.159 1.00 0.00 H new ATOM 0 HA ILE A 93 2.461 4.442 -8.427 1.00 0.00 H new ATOM 0 HB ILE A 93 2.716 5.304 -5.560 1.00 0.00 H new ATOM 0 HG12 ILE A 93 5.073 4.816 -7.343 1.00 0.00 H new ATOM 0 HG13 ILE A 93 4.259 6.365 -7.440 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.009 3.224 -5.339 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.327 2.918 -5.835 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.640 2.820 -7.033 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.094 6.442 -5.782 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.521 6.672 -4.981 1.00 0.00 H new ATOM 0 HD13 ILE A 93 5.348 5.100 -4.882 1.00 0.00 H new ATOM 1345 N VAL A 94 0.203 3.630 -8.117 1.00 0.00 N ATOM 1346 CA VAL A 94 -1.116 3.050 -7.929 1.00 0.00 C ATOM 1347 C VAL A 94 -1.016 1.867 -6.964 1.00 0.00 C ATOM 1348 O VAL A 94 -0.481 0.817 -7.317 1.00 0.00 O ATOM 1349 CB VAL A 94 -1.718 2.668 -9.282 1.00 0.00 C ATOM 1350 CG1 VAL A 94 -0.756 1.786 -10.081 1.00 0.00 C ATOM 1351 CG2 VAL A 94 -3.074 1.980 -9.105 1.00 0.00 C ATOM 0 H VAL A 94 0.698 3.304 -8.947 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.792 3.778 -7.482 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.879 3.586 -9.848 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.209 1.529 -11.039 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.175 2.326 -10.253 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.548 0.874 -9.521 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.480 1.719 -10.082 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.948 1.075 -8.511 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.761 2.656 -8.595 1.00 0.00 H new ATOM 1361 N VAL A 95 -1.537 2.077 -5.764 1.00 0.00 N ATOM 1362 CA VAL A 95 -1.513 1.041 -4.746 1.00 0.00 C ATOM 1363 C VAL A 95 -2.942 0.572 -4.467 1.00 0.00 C ATOM 1364 O VAL A 95 -3.889 1.348 -4.586 1.00 0.00 O ATOM 1365 CB VAL A 95 -0.798 1.555 -3.494 1.00 0.00 C ATOM 1366 CG1 VAL A 95 0.034 0.447 -2.845 1.00 0.00 C ATOM 1367 CG2 VAL A 95 0.068 2.773 -3.819 1.00 0.00 C ATOM 0 H VAL A 95 -1.978 2.950 -5.474 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.949 0.176 -5.095 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.558 1.867 -2.777 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.532 0.838 -1.958 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.618 -0.379 -2.561 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.782 0.091 -3.554 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.565 3.118 -2.912 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.817 2.499 -4.562 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.560 3.571 -4.215 1.00 0.00 H new ATOM 1377 N GLN A 96 -3.054 -0.697 -4.103 1.00 0.00 N ATOM 1378 CA GLN A 96 -4.352 -1.279 -3.807 1.00 0.00 C ATOM 1379 C GLN A 96 -4.281 -2.109 -2.524 1.00 0.00 C ATOM 1380 O GLN A 96 -3.264 -2.742 -2.245 1.00 0.00 O ATOM 1381 CB GLN A 96 -4.854 -2.124 -4.979 1.00 0.00 C ATOM 1382 CG GLN A 96 -6.076 -2.951 -4.575 1.00 0.00 C ATOM 1383 CD GLN A 96 -7.049 -3.101 -5.747 1.00 0.00 C ATOM 1384 OE1 GLN A 96 -7.839 -2.047 -5.932 1.00 0.00 O flip ATOM 1385 NE2 GLN A 96 -7.080 -4.106 -6.438 1.00 0.00 N flip ATOM 0 H GLN A 96 -2.267 -1.339 -4.006 1.00 0.00 H new ATOM 0 HA GLN A 96 -5.065 -0.469 -3.654 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.110 -1.475 -5.816 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.059 -2.787 -5.321 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.757 -3.936 -4.235 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.582 -2.473 -3.736 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.445 -4.880 -6.242 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.741 -4.172 -7.212 1.00 0.00 H new ATOM 1394 N VAL A 97 -5.375 -2.080 -1.777 1.00 0.00 N ATOM 1395 CA VAL A 97 -5.450 -2.822 -0.530 1.00 0.00 C ATOM 1396 C VAL A 97 -6.793 -3.550 -0.454 1.00 0.00 C ATOM 1397 O VAL A 97 -7.724 -3.220 -1.187 1.00 0.00 O ATOM 1398 CB VAL A 97 -5.212 -1.882 0.654 1.00 0.00 C ATOM 1399 CG1 VAL A 97 -3.801 -1.292 0.610 1.00 0.00 C ATOM 1400 CG2 VAL A 97 -6.268 -0.776 0.696 1.00 0.00 C ATOM 0 H VAL A 97 -6.217 -1.554 -2.012 1.00 0.00 H new ATOM 0 HA VAL A 97 -4.667 -3.579 -0.489 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.302 -2.466 1.570 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.658 -0.628 1.462 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.068 -2.098 0.651 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.671 -0.729 -0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -6.076 -0.122 1.547 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.224 -0.196 -0.226 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.258 -1.222 0.797 1.00 0.00 H new ATOM 1410 N LEU A 98 -6.851 -4.528 0.439 1.00 0.00 N ATOM 1411 CA LEU A 98 -8.065 -5.305 0.619 1.00 0.00 C ATOM 1412 C LEU A 98 -8.728 -4.908 1.940 1.00 0.00 C ATOM 1413 O LEU A 98 -8.306 -5.351 3.008 1.00 0.00 O ATOM 1414 CB LEU A 98 -7.765 -6.801 0.507 1.00 0.00 C ATOM 1415 CG LEU A 98 -8.153 -7.465 -0.817 1.00 0.00 C ATOM 1416 CD1 LEU A 98 -7.867 -6.537 -1.999 1.00 0.00 C ATOM 1417 CD2 LEU A 98 -7.462 -8.821 -0.972 1.00 0.00 C ATOM 0 H LEU A 98 -6.077 -4.799 1.045 1.00 0.00 H new ATOM 0 HA LEU A 98 -8.779 -5.086 -0.175 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.697 -6.950 0.667 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.283 -7.317 1.315 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.227 -7.650 -0.806 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.151 -7.032 -2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.442 -5.618 -1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.804 -6.299 -2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.754 -9.272 -1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.381 -8.683 -0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.758 -9.476 -0.152 1.00 0.00 H new ATOM 1429 N ARG A 99 -9.754 -4.079 1.825 1.00 0.00 N ATOM 1430 CA ARG A 99 -10.479 -3.618 2.997 1.00 0.00 C ATOM 1431 C ARG A 99 -11.812 -4.358 3.122 1.00 0.00 C ATOM 1432 O ARG A 99 -12.665 -4.262 2.240 1.00 0.00 O ATOM 1433 CB ARG A 99 -10.744 -2.113 2.924 1.00 0.00 C ATOM 1434 CG ARG A 99 -10.497 -1.446 4.279 1.00 0.00 C ATOM 1435 CD ARG A 99 -10.710 0.066 4.193 1.00 0.00 C ATOM 1436 NE ARG A 99 -9.888 0.752 5.215 1.00 0.00 N ATOM 1437 CZ ARG A 99 -10.286 0.971 6.476 1.00 0.00 C ATOM 1438 NH1 ARG A 99 -11.496 0.558 6.878 1.00 0.00 N ATOM 1439 NH2 ARG A 99 -9.474 1.601 7.335 1.00 0.00 N ATOM 0 H ARG A 99 -10.101 -3.714 0.938 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.862 -3.825 3.871 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.098 -1.663 2.170 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -11.773 -1.936 2.610 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.170 -1.870 5.025 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -9.480 -1.655 4.611 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -10.442 0.423 3.199 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.763 0.302 4.343 1.00 0.00 H new ATOM 0 HE ARG A 99 -8.961 1.078 4.943 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -12.114 0.077 6.224 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -11.799 0.725 7.838 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -8.553 1.914 7.030 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -9.777 1.768 8.295 1.00 0.00 H new ATOM 1453 N ARG A 100 -11.951 -5.080 4.224 1.00 0.00 N ATOM 1454 CA ARG A 100 -13.166 -5.836 4.476 1.00 0.00 C ATOM 1455 C ARG A 100 -14.397 -4.970 4.199 1.00 0.00 C ATOM 1456 O ARG A 100 -14.278 -3.762 3.998 1.00 0.00 O ATOM 1457 CB ARG A 100 -13.216 -6.333 5.922 1.00 0.00 C ATOM 1458 CG ARG A 100 -13.337 -5.163 6.900 1.00 0.00 C ATOM 1459 CD ARG A 100 -12.062 -5.012 7.733 1.00 0.00 C ATOM 1460 NE ARG A 100 -11.454 -3.685 7.491 1.00 0.00 N ATOM 1461 CZ ARG A 100 -10.421 -3.193 8.189 1.00 0.00 C ATOM 1462 NH1 ARG A 100 -9.875 -3.915 9.177 1.00 0.00 N ATOM 1463 NH2 ARG A 100 -9.934 -1.979 7.899 1.00 0.00 N ATOM 0 H ARG A 100 -11.242 -5.158 4.953 1.00 0.00 H new ATOM 0 HA ARG A 100 -13.165 -6.697 3.808 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -14.063 -7.007 6.049 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -12.316 -6.906 6.145 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -13.527 -4.242 6.349 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -14.190 -5.322 7.560 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -12.294 -5.127 8.792 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -11.353 -5.799 7.474 1.00 0.00 H new ATOM 0 HE ARG A 100 -11.846 -3.108 6.746 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -10.246 -4.839 9.398 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -9.089 -3.540 9.708 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -10.349 -1.429 7.147 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -9.148 -1.605 8.430 1.00 0.00 H new ATOM 1477 N THR A 101 -15.551 -5.621 4.197 1.00 0.00 N ATOM 1478 CA THR A 101 -16.802 -4.925 3.948 1.00 0.00 C ATOM 1479 C THR A 101 -17.534 -4.657 5.265 1.00 0.00 C ATOM 1480 O THR A 101 -17.385 -5.409 6.227 1.00 0.00 O ATOM 1481 CB THR A 101 -17.618 -5.760 2.959 1.00 0.00 C ATOM 1482 OG1 THR A 101 -18.715 -4.917 2.616 1.00 0.00 O ATOM 1483 CG2 THR A 101 -18.274 -6.974 3.619 1.00 0.00 C ATOM 0 H THR A 101 -15.646 -6.623 4.364 1.00 0.00 H new ATOM 0 HA THR A 101 -16.628 -3.945 3.503 1.00 0.00 H new ATOM 0 HB THR A 101 -16.972 -6.093 2.146 1.00 0.00 H new ATOM 0 HG1 THR A 101 -19.295 -5.380 1.976 1.00 0.00 H new ATOM 0 HG21 THR A 101 -18.841 -7.532 2.873 1.00 0.00 H new ATOM 0 HG22 THR A 101 -17.504 -7.617 4.045 1.00 0.00 H new ATOM 0 HG23 THR A 101 -18.946 -6.640 4.410 1.00 0.00 H new ATOM 1491 N SER A 102 -18.309 -3.582 5.266 1.00 0.00 N ATOM 1492 CA SER A 102 -19.065 -3.205 6.448 1.00 0.00 C ATOM 1493 C SER A 102 -20.266 -2.346 6.049 1.00 0.00 C ATOM 1494 O SER A 102 -20.177 -1.537 5.127 1.00 0.00 O ATOM 1495 CB SER A 102 -18.183 -2.454 7.448 1.00 0.00 C ATOM 1496 OG SER A 102 -17.631 -3.323 8.432 1.00 0.00 O ATOM 0 H SER A 102 -18.430 -2.960 4.467 1.00 0.00 H new ATOM 0 HA SER A 102 -19.422 -4.115 6.931 1.00 0.00 H new ATOM 0 HB2 SER A 102 -17.376 -1.952 6.914 1.00 0.00 H new ATOM 0 HB3 SER A 102 -18.771 -1.678 7.939 1.00 0.00 H new ATOM 0 HG SER A 102 -17.398 -4.180 8.018 1.00 0.00 H new ATOM 1502 N GLY A 103 -21.363 -2.552 6.764 1.00 0.00 N ATOM 1503 CA GLY A 103 -22.581 -1.807 6.496 1.00 0.00 C ATOM 1504 C GLY A 103 -23.646 -2.097 7.556 1.00 0.00 C ATOM 1505 O GLY A 103 -23.651 -3.169 8.159 1.00 0.00 O ATOM 0 H GLY A 103 -21.433 -3.224 7.528 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -22.362 -0.739 6.478 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -22.963 -2.071 5.510 1.00 0.00 H new ATOM 1509 N PRO A 104 -24.546 -1.097 7.756 1.00 0.00 N ATOM 1510 CA PRO A 104 -25.613 -1.235 8.733 1.00 0.00 C ATOM 1511 C PRO A 104 -26.711 -2.167 8.217 1.00 0.00 C ATOM 1512 O PRO A 104 -27.350 -1.879 7.206 1.00 0.00 O ATOM 1513 CB PRO A 104 -26.104 0.182 8.981 1.00 0.00 C ATOM 1514 CG PRO A 104 -25.616 1.005 7.800 1.00 0.00 C ATOM 1515 CD PRO A 104 -24.571 0.186 7.061 1.00 0.00 C ATOM 0 HA PRO A 104 -25.276 -1.694 9.663 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -27.191 0.211 9.055 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -25.710 0.573 9.919 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -26.446 1.252 7.138 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -25.190 1.948 8.142 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -24.835 0.062 6.011 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -23.595 0.671 7.089 1.00 0.00 H new ATOM 1523 N SER A 105 -26.897 -3.264 8.936 1.00 0.00 N ATOM 1524 CA SER A 105 -27.908 -4.240 8.563 1.00 0.00 C ATOM 1525 C SER A 105 -29.288 -3.764 9.020 1.00 0.00 C ATOM 1526 O SER A 105 -29.398 -2.973 9.956 1.00 0.00 O ATOM 1527 CB SER A 105 -27.595 -5.613 9.162 1.00 0.00 C ATOM 1528 OG SER A 105 -27.605 -5.589 10.587 1.00 0.00 O ATOM 0 H SER A 105 -26.366 -3.499 9.774 1.00 0.00 H new ATOM 0 HA SER A 105 -27.905 -4.338 7.477 1.00 0.00 H new ATOM 0 HB2 SER A 105 -28.326 -6.339 8.807 1.00 0.00 H new ATOM 0 HB3 SER A 105 -26.618 -5.947 8.812 1.00 0.00 H new ATOM 0 HG SER A 105 -27.403 -6.484 10.931 1.00 0.00 H new ATOM 1534 N SER A 106 -30.307 -4.266 8.339 1.00 0.00 N ATOM 1535 CA SER A 106 -31.676 -3.903 8.663 1.00 0.00 C ATOM 1536 C SER A 106 -32.596 -5.111 8.479 1.00 0.00 C ATOM 1537 O SER A 106 -33.220 -5.572 9.434 1.00 0.00 O ATOM 1538 CB SER A 106 -32.155 -2.735 7.799 1.00 0.00 C ATOM 1539 OG SER A 106 -32.000 -3.001 6.407 1.00 0.00 O ATOM 0 H SER A 106 -30.212 -4.922 7.564 1.00 0.00 H new ATOM 0 HA SER A 106 -31.708 -3.586 9.705 1.00 0.00 H new ATOM 0 HB2 SER A 106 -33.204 -2.531 8.014 1.00 0.00 H new ATOM 0 HB3 SER A 106 -31.595 -1.837 8.061 1.00 0.00 H new ATOM 0 HG SER A 106 -32.319 -2.232 5.890 1.00 0.00 H new ATOM 1545 N GLY A 107 -32.652 -5.590 7.245 1.00 0.00 N ATOM 1546 CA GLY A 107 -33.486 -6.736 6.924 1.00 0.00 C ATOM 1547 C GLY A 107 -34.260 -6.504 5.625 1.00 0.00 C ATOM 1548 O GLY A 107 -34.423 -7.422 4.823 1.00 0.00 O ATOM 0 H GLY A 107 -32.133 -5.205 6.455 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -32.865 -7.627 6.827 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -34.185 -6.922 7.740 1.00 0.00 H new TER 1552 GLY A 107