USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 576 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 50 THR OG1 : rot -75:sc= 0.324 USER MOD Set 1.2: A 53 GLN : amide:sc= 0.962 K(o=1.3,f=-0.074) USER MOD Set 2.1: A 40 LYS NZ :NH3+ 159:sc= 1.22 (180deg=0) USER MOD Set 2.2: A 55 ASN : amide:sc= -0.35 K(o=0.87,f=-17!) 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 37:sc= 0.81 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 8 LYS NZ :NH3+ -124:sc= -1.72! (180deg=-5.21!) USER MOD Single : A 9 ASN :FLIP amide:sc= 0.689 F(o=-0.74,f=0.69) USER MOD Single : A 10 LYS NZ :NH3+ -161:sc= -0.0459 (180deg=-0.315) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HD1:sc= -0.733 K(o=-0.73,f=-3.2!) USER MOD Single : A 19 THR OG1 : rot -21:sc= 0.371 USER MOD Single : A 20 ASN : amide:sc= -0.106 K(o=-0.11,f=-1.3!) USER MOD Single : A 22 MET CE :methyl -164:sc= -2.3 (180deg=-4.08!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.116 K(o=-0.12,f=-0.87) USER MOD Single : A 29 HIS : no HD1:sc= -5.85! C(o=-5.9!,f=-5.8!) USER MOD Single : A 32 HIS : no HD1:sc= -11.7! C(o=-12!,f=-13!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.136 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot -62:sc= 0.615 USER MOD Single : A 48 ASN : amide:sc= -0.478 K(o=-0.48,f=-2.1) USER MOD Single : A 56 ASN : amide:sc= -0.198 X(o=-0.2,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.663 K(o=-0.66,f=-1.7) USER MOD Single : A 67 GLN : amide:sc= -0.126 K(o=-0.13,f=-1.8) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.143 -14.047 19.870 1.00 0.00 N ATOM 2 CA GLY A 1 8.058 -15.482 20.074 1.00 0.00 C ATOM 3 C GLY A 1 9.310 -16.052 20.712 1.00 0.00 C ATOM 4 O GLY A 1 9.622 -15.749 21.863 1.00 0.00 O ATOM 0 H1 GLY A 1 7.264 -13.706 19.432 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.280 -13.574 20.786 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.947 -13.832 19.246 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.198 -15.706 20.705 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.886 -15.973 19.116 1.00 0.00 H new ATOM 8 N SER A 2 10.028 -16.882 19.962 1.00 0.00 N ATOM 9 CA SER A 2 11.250 -17.500 20.462 1.00 0.00 C ATOM 10 C SER A 2 12.481 -16.732 19.990 1.00 0.00 C ATOM 11 O SER A 2 12.419 -15.971 19.025 1.00 0.00 O ATOM 12 CB SER A 2 11.336 -18.956 20.001 1.00 0.00 C ATOM 13 OG SER A 2 12.245 -19.692 20.801 1.00 0.00 O ATOM 0 H SER A 2 9.784 -17.142 19.006 1.00 0.00 H new ATOM 0 HA SER A 2 11.222 -17.472 21.551 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.349 -19.415 20.051 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.652 -18.992 18.959 1.00 0.00 H new ATOM 0 HG SER A 2 12.280 -20.620 20.487 1.00 0.00 H new ATOM 19 N SER A 3 13.599 -16.937 20.679 1.00 0.00 N ATOM 20 CA SER A 3 14.844 -16.262 20.334 1.00 0.00 C ATOM 21 C SER A 3 15.133 -16.384 18.841 1.00 0.00 C ATOM 22 O SER A 3 15.484 -17.456 18.351 1.00 0.00 O ATOM 23 CB SER A 3 16.006 -16.847 21.139 1.00 0.00 C ATOM 24 OG SER A 3 16.173 -18.227 20.865 1.00 0.00 O ATOM 0 H SER A 3 13.668 -17.565 21.480 1.00 0.00 H new ATOM 0 HA SER A 3 14.736 -15.206 20.580 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.925 -16.312 20.899 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.823 -16.704 22.204 1.00 0.00 H new ATOM 0 HG SER A 3 15.988 -18.397 19.918 1.00 0.00 H new ATOM 30 N GLY A 4 14.982 -15.275 18.123 1.00 0.00 N ATOM 31 CA GLY A 4 15.229 -15.278 16.693 1.00 0.00 C ATOM 32 C GLY A 4 15.496 -13.889 16.148 1.00 0.00 C ATOM 33 O GLY A 4 14.667 -13.324 15.435 1.00 0.00 O ATOM 0 H GLY A 4 14.693 -14.375 18.506 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.083 -15.920 16.476 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.369 -15.707 16.180 1.00 0.00 H new ATOM 37 N SER A 5 16.657 -13.336 16.484 1.00 0.00 N ATOM 38 CA SER A 5 17.029 -12.002 16.028 1.00 0.00 C ATOM 39 C SER A 5 18.138 -12.074 14.983 1.00 0.00 C ATOM 40 O SER A 5 19.156 -12.735 15.188 1.00 0.00 O ATOM 41 CB SER A 5 17.482 -11.144 17.211 1.00 0.00 C ATOM 42 OG SER A 5 17.464 -9.766 16.878 1.00 0.00 O ATOM 0 H SER A 5 17.356 -13.791 17.071 1.00 0.00 H new ATOM 0 HA SER A 5 16.152 -11.544 15.570 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.829 -11.323 18.065 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.488 -11.436 17.512 1.00 0.00 H new ATOM 0 HG SER A 5 17.756 -9.239 17.651 1.00 0.00 H new ATOM 48 N SER A 6 17.932 -11.390 13.863 1.00 0.00 N ATOM 49 CA SER A 6 18.912 -11.379 12.783 1.00 0.00 C ATOM 50 C SER A 6 19.484 -9.979 12.582 1.00 0.00 C ATOM 51 O SER A 6 18.797 -8.980 12.789 1.00 0.00 O ATOM 52 CB SER A 6 18.275 -11.873 11.482 1.00 0.00 C ATOM 53 OG SER A 6 18.119 -13.282 11.494 1.00 0.00 O ATOM 0 H SER A 6 17.095 -10.836 13.679 1.00 0.00 H new ATOM 0 HA SER A 6 19.726 -12.049 13.058 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.304 -11.397 11.345 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.895 -11.580 10.635 1.00 0.00 H new ATOM 0 HG SER A 6 17.709 -13.573 10.653 1.00 0.00 H new ATOM 59 N GLY A 7 20.749 -9.916 12.177 1.00 0.00 N ATOM 60 CA GLY A 7 21.393 -8.635 11.955 1.00 0.00 C ATOM 61 C GLY A 7 21.357 -8.212 10.500 1.00 0.00 C ATOM 62 O GLY A 7 22.371 -8.267 9.804 1.00 0.00 O ATOM 0 H GLY A 7 21.339 -10.729 11.999 1.00 0.00 H new ATOM 0 HA2 GLY A 7 20.902 -7.875 12.563 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.429 -8.690 12.289 1.00 0.00 H new ATOM 66 N LYS A 8 20.185 -7.789 10.038 1.00 0.00 N ATOM 67 CA LYS A 8 20.019 -7.355 8.655 1.00 0.00 C ATOM 68 C LYS A 8 19.348 -5.987 8.592 1.00 0.00 C ATOM 69 O LYS A 8 18.125 -5.881 8.670 1.00 0.00 O ATOM 70 CB LYS A 8 19.191 -8.378 7.874 1.00 0.00 C ATOM 71 CG LYS A 8 18.849 -7.933 6.463 1.00 0.00 C ATOM 72 CD LYS A 8 19.898 -8.393 5.464 1.00 0.00 C ATOM 73 CE LYS A 8 20.996 -7.356 5.291 1.00 0.00 C ATOM 74 NZ LYS A 8 22.126 -7.581 6.235 1.00 0.00 N ATOM 0 H LYS A 8 19.336 -7.737 10.601 1.00 0.00 H new ATOM 0 HA LYS A 8 21.008 -7.276 8.203 1.00 0.00 H new ATOM 0 HB2 LYS A 8 19.741 -9.318 7.826 1.00 0.00 H new ATOM 0 HB3 LYS A 8 18.267 -8.576 8.417 1.00 0.00 H new ATOM 0 HG2 LYS A 8 17.875 -8.333 6.180 1.00 0.00 H new ATOM 0 HG3 LYS A 8 18.768 -6.846 6.433 1.00 0.00 H new ATOM 0 HD2 LYS A 8 20.334 -9.334 5.800 1.00 0.00 H new ATOM 0 HD3 LYS A 8 19.425 -8.587 4.502 1.00 0.00 H new ATOM 0 HE2 LYS A 8 21.367 -7.388 4.267 1.00 0.00 H new ATOM 0 HE3 LYS A 8 20.583 -6.360 5.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 22.285 -6.721 6.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 21.896 -8.372 6.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 22.987 -7.808 5.698 1.00 0.00 H new ATOM 88 N ASN A 9 20.157 -4.942 8.448 1.00 0.00 N ATOM 89 CA ASN A 9 19.641 -3.580 8.373 1.00 0.00 C ATOM 90 C ASN A 9 19.621 -3.085 6.930 1.00 0.00 C ATOM 91 O ASN A 9 20.568 -2.448 6.467 1.00 0.00 O ATOM 92 CB ASN A 9 20.489 -2.643 9.234 1.00 0.00 C ATOM 93 CG ASN A 9 21.971 -2.950 9.137 1.00 0.00 C ATOM 94 OD1 ASN A 9 22.623 -3.092 10.285 1.00 0.00 O flip ATOM 95 ND2 ASN A 9 22.523 -3.060 8.042 1.00 0.00 N flip ATOM 0 H ASN A 9 21.172 -5.013 8.381 1.00 0.00 H new ATOM 0 HA ASN A 9 18.619 -3.584 8.751 1.00 0.00 H new ATOM 0 HB2 ASN A 9 20.313 -1.612 8.925 1.00 0.00 H new ATOM 0 HB3 ASN A 9 20.172 -2.723 10.274 1.00 0.00 H new ATOM 0 HD21 ASN A 9 21.983 -2.943 7.185 1.00 0.00 H new ATOM 0 HD22 ASN A 9 23.520 -3.268 7.992 1.00 0.00 H new ATOM 102 N LYS A 10 18.536 -3.381 6.223 1.00 0.00 N ATOM 103 CA LYS A 10 18.390 -2.965 4.833 1.00 0.00 C ATOM 104 C LYS A 10 17.260 -1.952 4.684 1.00 0.00 C ATOM 105 O LYS A 10 16.096 -2.323 4.532 1.00 0.00 O ATOM 106 CB LYS A 10 18.121 -4.180 3.942 1.00 0.00 C ATOM 107 CG LYS A 10 18.233 -3.881 2.457 1.00 0.00 C ATOM 108 CD LYS A 10 17.475 -4.901 1.624 1.00 0.00 C ATOM 109 CE LYS A 10 18.273 -6.184 1.453 1.00 0.00 C ATOM 110 NZ LYS A 10 19.465 -5.985 0.582 1.00 0.00 N ATOM 0 H LYS A 10 17.744 -3.908 6.590 1.00 0.00 H new ATOM 0 HA LYS A 10 19.321 -2.492 4.521 1.00 0.00 H new ATOM 0 HB2 LYS A 10 18.825 -4.972 4.199 1.00 0.00 H new ATOM 0 HB3 LYS A 10 17.122 -4.561 4.153 1.00 0.00 H new ATOM 0 HG2 LYS A 10 17.843 -2.883 2.255 1.00 0.00 H new ATOM 0 HG3 LYS A 10 19.283 -3.878 2.164 1.00 0.00 H new ATOM 0 HD2 LYS A 10 16.521 -5.125 2.101 1.00 0.00 H new ATOM 0 HD3 LYS A 10 17.250 -4.478 0.645 1.00 0.00 H new ATOM 0 HE2 LYS A 10 18.594 -6.545 2.430 1.00 0.00 H new ATOM 0 HE3 LYS A 10 17.633 -6.955 1.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 19.794 -6.906 0.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 19.210 -5.376 -0.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 20.224 -5.534 1.131 1.00 0.00 H new ATOM 124 N ARG A 11 17.611 -0.671 4.728 1.00 0.00 N ATOM 125 CA ARG A 11 16.626 0.396 4.597 1.00 0.00 C ATOM 126 C ARG A 11 16.551 0.894 3.157 1.00 0.00 C ATOM 127 O ARG A 11 17.509 0.768 2.395 1.00 0.00 O ATOM 128 CB ARG A 11 16.973 1.557 5.532 1.00 0.00 C ATOM 129 CG ARG A 11 15.797 2.473 5.828 1.00 0.00 C ATOM 130 CD ARG A 11 14.812 1.823 6.787 1.00 0.00 C ATOM 131 NE ARG A 11 15.322 1.789 8.155 1.00 0.00 N ATOM 132 CZ ARG A 11 14.892 0.937 9.079 1.00 0.00 C ATOM 133 NH1 ARG A 11 13.948 0.053 8.782 1.00 0.00 N ATOM 134 NH2 ARG A 11 15.405 0.967 10.302 1.00 0.00 N ATOM 0 H ARG A 11 18.570 -0.347 4.853 1.00 0.00 H new ATOM 0 HA ARG A 11 15.652 -0.007 4.875 1.00 0.00 H new ATOM 0 HB2 ARG A 11 17.355 1.155 6.471 1.00 0.00 H new ATOM 0 HB3 ARG A 11 17.776 2.144 5.086 1.00 0.00 H new ATOM 0 HG2 ARG A 11 16.161 3.407 6.256 1.00 0.00 H new ATOM 0 HG3 ARG A 11 15.288 2.726 4.898 1.00 0.00 H new ATOM 0 HD2 ARG A 11 13.870 2.370 6.765 1.00 0.00 H new ATOM 0 HD3 ARG A 11 14.599 0.807 6.454 1.00 0.00 H new ATOM 0 HE ARG A 11 16.048 2.456 8.415 1.00 0.00 H new ATOM 0 HH11 ARG A 11 13.551 0.027 7.843 1.00 0.00 H new ATOM 0 HH12 ARG A 11 13.619 -0.600 9.493 1.00 0.00 H new ATOM 0 HH21 ARG A 11 16.131 1.645 10.534 1.00 0.00 H new ATOM 0 HH22 ARG A 11 15.074 0.312 11.010 1.00 0.00 H new ATOM 148 N GLY A 12 15.405 1.460 2.790 1.00 0.00 N ATOM 149 CA GLY A 12 15.226 1.967 1.442 1.00 0.00 C ATOM 150 C GLY A 12 13.882 2.642 1.251 1.00 0.00 C ATOM 151 O GLY A 12 13.189 2.947 2.221 1.00 0.00 O ATOM 0 H GLY A 12 14.598 1.576 3.402 1.00 0.00 H new ATOM 0 HA2 GLY A 12 16.021 2.677 1.215 1.00 0.00 H new ATOM 0 HA3 GLY A 12 15.321 1.145 0.732 1.00 0.00 H new ATOM 155 N VAL A 13 13.513 2.876 -0.005 1.00 0.00 N ATOM 156 CA VAL A 13 12.244 3.519 -0.321 1.00 0.00 C ATOM 157 C VAL A 13 11.436 2.684 -1.308 1.00 0.00 C ATOM 158 O VAL A 13 11.993 2.053 -2.207 1.00 0.00 O ATOM 159 CB VAL A 13 12.459 4.925 -0.912 1.00 0.00 C ATOM 160 CG1 VAL A 13 13.282 4.849 -2.188 1.00 0.00 C ATOM 161 CG2 VAL A 13 11.122 5.604 -1.170 1.00 0.00 C ATOM 0 H VAL A 13 14.075 2.630 -0.820 1.00 0.00 H new ATOM 0 HA VAL A 13 11.692 3.606 0.615 1.00 0.00 H new ATOM 0 HB VAL A 13 13.012 5.523 -0.188 1.00 0.00 H new ATOM 0 HG11 VAL A 13 13.423 5.852 -2.590 1.00 0.00 H new ATOM 0 HG12 VAL A 13 14.254 4.406 -1.969 1.00 0.00 H new ATOM 0 HG13 VAL A 13 12.760 4.234 -2.921 1.00 0.00 H new ATOM 0 HG21 VAL A 13 11.292 6.596 -1.587 1.00 0.00 H new ATOM 0 HG22 VAL A 13 10.542 5.009 -1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 13 10.573 5.694 -0.233 1.00 0.00 H new ATOM 171 N LEU A 14 10.118 2.684 -1.135 1.00 0.00 N ATOM 172 CA LEU A 14 9.231 1.927 -2.010 1.00 0.00 C ATOM 173 C LEU A 14 8.679 2.811 -3.123 1.00 0.00 C ATOM 174 O LEU A 14 8.596 4.033 -2.995 1.00 0.00 O ATOM 175 CB LEU A 14 8.080 1.323 -1.204 1.00 0.00 C ATOM 176 CG LEU A 14 8.436 0.132 -0.314 1.00 0.00 C ATOM 177 CD1 LEU A 14 7.253 -0.255 0.559 1.00 0.00 C ATOM 178 CD2 LEU A 14 8.887 -1.050 -1.160 1.00 0.00 C ATOM 0 H LEU A 14 9.641 3.200 -0.396 1.00 0.00 H new ATOM 0 HA LEU A 14 9.809 1.122 -2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.653 2.105 -0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.301 1.011 -1.899 1.00 0.00 H new ATOM 0 HG LEU A 14 9.261 0.423 0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.526 -1.104 1.185 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.976 0.588 1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.408 -0.527 -0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.136 -1.889 -0.510 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.083 -1.341 -1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.765 -0.768 -1.741 1.00 0.00 H new ATOM 190 N PRO A 15 8.289 2.182 -4.242 1.00 0.00 N ATOM 191 CA PRO A 15 7.735 2.893 -5.398 1.00 0.00 C ATOM 192 C PRO A 15 6.348 3.462 -5.118 1.00 0.00 C ATOM 193 O PRO A 15 5.590 2.913 -4.318 1.00 0.00 O ATOM 194 CB PRO A 15 7.661 1.810 -6.478 1.00 0.00 C ATOM 195 CG PRO A 15 7.563 0.529 -5.724 1.00 0.00 C ATOM 196 CD PRO A 15 8.360 0.728 -4.464 1.00 0.00 C ATOM 0 HA PRO A 15 8.344 3.753 -5.678 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.796 1.955 -7.126 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.544 1.827 -7.117 1.00 0.00 H new ATOM 0 HG2 PRO A 15 6.525 0.289 -5.495 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.960 -0.300 -6.310 1.00 0.00 H new ATOM 0 HD2 PRO A 15 7.935 0.173 -3.628 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.389 0.389 -4.582 1.00 0.00 H new ATOM 204 N LYS A 16 6.021 4.565 -5.783 1.00 0.00 N ATOM 205 CA LYS A 16 4.724 5.208 -5.608 1.00 0.00 C ATOM 206 C LYS A 16 3.589 4.243 -5.934 1.00 0.00 C ATOM 207 O LYS A 16 2.564 4.221 -5.252 1.00 0.00 O ATOM 208 CB LYS A 16 4.624 6.450 -6.497 1.00 0.00 C ATOM 209 CG LYS A 16 4.676 6.139 -7.983 1.00 0.00 C ATOM 210 CD LYS A 16 4.915 7.394 -8.806 1.00 0.00 C ATOM 211 CE LYS A 16 5.515 7.063 -10.164 1.00 0.00 C ATOM 212 NZ LYS A 16 5.575 8.258 -11.050 1.00 0.00 N ATOM 0 H LYS A 16 6.637 5.032 -6.448 1.00 0.00 H new ATOM 0 HA LYS A 16 4.633 5.507 -4.564 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.693 6.971 -6.276 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.438 7.131 -6.248 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.470 5.418 -8.177 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.740 5.673 -8.291 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.973 7.926 -8.943 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.584 8.064 -8.265 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.519 6.660 -10.029 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.921 6.285 -10.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.990 7.991 -11.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.615 8.628 -11.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.163 8.991 -10.604 1.00 0.00 H new ATOM 226 N HIS A 17 3.780 3.444 -6.980 1.00 0.00 N ATOM 227 CA HIS A 17 2.772 2.474 -7.395 1.00 0.00 C ATOM 228 C HIS A 17 2.331 1.612 -6.216 1.00 0.00 C ATOM 229 O HIS A 17 1.140 1.373 -6.021 1.00 0.00 O ATOM 230 CB HIS A 17 3.318 1.588 -8.515 1.00 0.00 C ATOM 231 CG HIS A 17 2.450 0.406 -8.820 1.00 0.00 C ATOM 232 ND1 HIS A 17 1.093 0.507 -9.041 1.00 0.00 N ATOM 233 CD2 HIS A 17 2.754 -0.907 -8.942 1.00 0.00 C ATOM 234 CE1 HIS A 17 0.599 -0.694 -9.284 1.00 0.00 C ATOM 235 NE2 HIS A 17 1.586 -1.570 -9.231 1.00 0.00 N ATOM 0 H HIS A 17 4.623 3.449 -7.555 1.00 0.00 H new ATOM 0 HA HIS A 17 1.906 3.022 -7.766 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.432 2.187 -9.418 1.00 0.00 H new ATOM 0 HB3 HIS A 17 4.312 1.237 -8.238 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.732 -1.351 -8.833 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -0.436 -0.921 -9.491 1.00 0.00 H new ATOM 0 HE2 HIS A 17 1.496 -2.575 -9.380 1.00 0.00 H new ATOM 244 N ALA A 18 3.300 1.146 -5.434 1.00 0.00 N ATOM 245 CA ALA A 18 3.011 0.311 -4.275 1.00 0.00 C ATOM 246 C ALA A 18 2.326 1.116 -3.176 1.00 0.00 C ATOM 247 O ALA A 18 1.312 0.692 -2.621 1.00 0.00 O ATOM 248 CB ALA A 18 4.290 -0.323 -3.749 1.00 0.00 C ATOM 0 H ALA A 18 4.292 1.333 -5.583 1.00 0.00 H new ATOM 0 HA ALA A 18 2.329 -0.480 -4.588 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.059 -0.944 -2.883 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.738 -0.939 -4.529 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.991 0.459 -3.458 1.00 0.00 H new ATOM 254 N THR A 19 2.887 2.280 -2.864 1.00 0.00 N ATOM 255 CA THR A 19 2.332 3.144 -1.830 1.00 0.00 C ATOM 256 C THR A 19 0.887 3.516 -2.142 1.00 0.00 C ATOM 257 O THR A 19 0.078 3.715 -1.236 1.00 0.00 O ATOM 258 CB THR A 19 3.159 4.433 -1.670 1.00 0.00 C ATOM 259 OG1 THR A 19 3.118 5.195 -2.881 1.00 0.00 O ATOM 260 CG2 THR A 19 4.603 4.109 -1.318 1.00 0.00 C ATOM 0 H THR A 19 3.726 2.646 -3.313 1.00 0.00 H new ATOM 0 HA THR A 19 2.367 2.582 -0.897 1.00 0.00 H new ATOM 0 HB THR A 19 2.726 5.018 -0.858 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.875 4.609 -3.628 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.168 5.035 -1.210 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.633 3.554 -0.380 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.044 3.505 -2.111 1.00 0.00 H new ATOM 268 N ASN A 20 0.569 3.609 -3.429 1.00 0.00 N ATOM 269 CA ASN A 20 -0.780 3.959 -3.860 1.00 0.00 C ATOM 270 C ASN A 20 -1.802 2.974 -3.300 1.00 0.00 C ATOM 271 O ASN A 20 -2.702 3.356 -2.552 1.00 0.00 O ATOM 272 CB ASN A 20 -0.859 3.979 -5.388 1.00 0.00 C ATOM 273 CG ASN A 20 -0.539 5.345 -5.965 1.00 0.00 C ATOM 274 OD1 ASN A 20 -0.866 6.373 -5.373 1.00 0.00 O ATOM 275 ND2 ASN A 20 0.105 5.360 -7.127 1.00 0.00 N ATOM 0 H ASN A 20 1.227 3.447 -4.192 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.012 4.953 -3.477 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.165 3.244 -5.795 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.859 3.680 -5.701 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.348 6.249 -7.564 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.356 4.482 -7.582 1.00 0.00 H new ATOM 282 N VAL A 21 -1.656 1.705 -3.667 1.00 0.00 N ATOM 283 CA VAL A 21 -2.564 0.665 -3.200 1.00 0.00 C ATOM 284 C VAL A 21 -2.708 0.701 -1.683 1.00 0.00 C ATOM 285 O VAL A 21 -3.805 0.891 -1.158 1.00 0.00 O ATOM 286 CB VAL A 21 -2.082 -0.735 -3.625 1.00 0.00 C ATOM 287 CG1 VAL A 21 -3.008 -1.809 -3.077 1.00 0.00 C ATOM 288 CG2 VAL A 21 -1.984 -0.826 -5.141 1.00 0.00 C ATOM 0 H VAL A 21 -0.917 1.373 -4.287 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.533 0.863 -3.659 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.088 -0.900 -3.208 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.651 -2.791 -3.388 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.022 -1.756 -1.988 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.016 -1.651 -3.461 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.642 -1.821 -5.424 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.964 -0.640 -5.581 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.276 -0.082 -5.505 1.00 0.00 H new ATOM 298 N MET A 22 -1.593 0.519 -0.983 1.00 0.00 N ATOM 299 CA MET A 22 -1.595 0.533 0.475 1.00 0.00 C ATOM 300 C MET A 22 -2.273 1.792 1.006 1.00 0.00 C ATOM 301 O MET A 22 -3.137 1.721 1.880 1.00 0.00 O ATOM 302 CB MET A 22 -0.164 0.447 1.009 1.00 0.00 C ATOM 303 CG MET A 22 0.528 -0.867 0.685 1.00 0.00 C ATOM 304 SD MET A 22 1.938 -1.193 1.761 1.00 0.00 S ATOM 305 CE MET A 22 3.298 -0.781 0.670 1.00 0.00 C ATOM 0 H MET A 22 -0.677 0.360 -1.402 1.00 0.00 H new ATOM 0 HA MET A 22 -2.157 -0.334 0.821 1.00 0.00 H new ATOM 0 HB2 MET A 22 0.420 1.268 0.593 1.00 0.00 H new ATOM 0 HB3 MET A 22 -0.180 0.583 2.090 1.00 0.00 H new ATOM 0 HG2 MET A 22 -0.189 -1.683 0.775 1.00 0.00 H new ATOM 0 HG3 MET A 22 0.863 -0.851 -0.352 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.224 -1.191 1.073 1.00 0.00 H new ATOM 0 HE2 MET A 22 3.113 -1.204 -0.318 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.385 0.303 0.590 1.00 0.00 H new ATOM 315 N ARG A 23 -1.876 2.943 0.472 1.00 0.00 N ATOM 316 CA ARG A 23 -2.445 4.217 0.894 1.00 0.00 C ATOM 317 C ARG A 23 -3.968 4.194 0.789 1.00 0.00 C ATOM 318 O ARG A 23 -4.671 4.355 1.786 1.00 0.00 O ATOM 319 CB ARG A 23 -1.882 5.357 0.044 1.00 0.00 C ATOM 320 CG ARG A 23 -0.582 5.933 0.582 1.00 0.00 C ATOM 321 CD ARG A 23 0.121 6.788 -0.460 1.00 0.00 C ATOM 322 NE ARG A 23 1.531 6.993 -0.139 1.00 0.00 N ATOM 323 CZ ARG A 23 2.245 8.020 -0.585 1.00 0.00 C ATOM 324 NH1 ARG A 23 1.684 8.932 -1.366 1.00 0.00 N ATOM 325 NH2 ARG A 23 3.524 8.137 -0.249 1.00 0.00 N ATOM 0 H ARG A 23 -1.163 3.019 -0.253 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.172 4.381 1.937 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.717 4.995 -0.971 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.624 6.153 -0.018 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.788 6.533 1.468 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.076 5.121 0.893 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.037 6.311 -1.437 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.378 7.754 -0.533 1.00 0.00 H new ATOM 0 HE ARG A 23 1.993 6.310 0.461 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.701 8.846 -1.626 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.235 9.720 -1.707 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.959 7.438 0.352 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.071 8.926 -0.592 1.00 0.00 H new ATOM 339 N SER A 24 -4.469 3.992 -0.426 1.00 0.00 N ATOM 340 CA SER A 24 -5.907 3.953 -0.662 1.00 0.00 C ATOM 341 C SER A 24 -6.601 3.055 0.358 1.00 0.00 C ATOM 342 O SER A 24 -7.558 3.466 1.013 1.00 0.00 O ATOM 343 CB SER A 24 -6.199 3.454 -2.079 1.00 0.00 C ATOM 344 OG SER A 24 -7.535 3.740 -2.455 1.00 0.00 O ATOM 0 H SER A 24 -3.900 3.853 -1.261 1.00 0.00 H new ATOM 0 HA SER A 24 -6.296 4.965 -0.553 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.511 3.924 -2.782 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.025 2.379 -2.133 1.00 0.00 H new ATOM 0 HG SER A 24 -7.696 3.413 -3.365 1.00 0.00 H new ATOM 350 N TRP A 25 -6.110 1.827 0.486 1.00 0.00 N ATOM 351 CA TRP A 25 -6.682 0.870 1.426 1.00 0.00 C ATOM 352 C TRP A 25 -6.730 1.452 2.834 1.00 0.00 C ATOM 353 O TRP A 25 -7.790 1.509 3.458 1.00 0.00 O ATOM 354 CB TRP A 25 -5.870 -0.426 1.423 1.00 0.00 C ATOM 355 CG TRP A 25 -6.356 -1.434 2.421 1.00 0.00 C ATOM 356 CD1 TRP A 25 -7.296 -2.403 2.216 1.00 0.00 C ATOM 357 CD2 TRP A 25 -5.927 -1.569 3.780 1.00 0.00 C ATOM 358 NE1 TRP A 25 -7.477 -3.133 3.366 1.00 0.00 N ATOM 359 CE2 TRP A 25 -6.648 -2.641 4.340 1.00 0.00 C ATOM 360 CE3 TRP A 25 -5.002 -0.890 4.578 1.00 0.00 C ATOM 361 CZ2 TRP A 25 -6.473 -3.048 5.660 1.00 0.00 C ATOM 362 CZ3 TRP A 25 -4.830 -1.294 5.889 1.00 0.00 C ATOM 363 CH2 TRP A 25 -5.562 -2.365 6.419 1.00 0.00 C ATOM 0 H TRP A 25 -5.318 1.471 -0.049 1.00 0.00 H new ATOM 0 HA TRP A 25 -7.702 0.652 1.109 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -5.905 -0.866 0.426 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -4.826 -0.193 1.632 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -7.820 -2.571 1.287 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -8.123 -3.914 3.477 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -4.432 -0.065 4.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -7.036 -3.873 6.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -4.119 -0.775 6.515 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -5.404 -2.657 7.447 1.00 0.00 H new ATOM 374 N LEU A 26 -5.575 1.882 3.331 1.00 0.00 N ATOM 375 CA LEU A 26 -5.485 2.461 4.667 1.00 0.00 C ATOM 376 C LEU A 26 -6.582 3.498 4.886 1.00 0.00 C ATOM 377 O LEU A 26 -7.280 3.474 5.900 1.00 0.00 O ATOM 378 CB LEU A 26 -4.112 3.102 4.875 1.00 0.00 C ATOM 379 CG LEU A 26 -3.735 3.427 6.321 1.00 0.00 C ATOM 380 CD1 LEU A 26 -3.025 2.248 6.966 1.00 0.00 C ATOM 381 CD2 LEU A 26 -2.864 4.673 6.378 1.00 0.00 C ATOM 0 H LEU A 26 -4.688 1.841 2.829 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.618 1.659 5.393 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.355 2.433 4.465 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.072 4.023 4.294 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.651 3.622 6.879 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.765 2.498 7.994 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.683 1.379 6.959 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.117 2.020 6.407 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.605 4.889 7.415 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.953 4.506 5.804 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.409 5.518 5.956 1.00 0.00 H new ATOM 393 N PHE A 27 -6.729 4.408 3.929 1.00 0.00 N ATOM 394 CA PHE A 27 -7.742 5.453 4.016 1.00 0.00 C ATOM 395 C PHE A 27 -9.138 4.849 4.134 1.00 0.00 C ATOM 396 O PHE A 27 -9.944 5.280 4.958 1.00 0.00 O ATOM 397 CB PHE A 27 -7.670 6.366 2.790 1.00 0.00 C ATOM 398 CG PHE A 27 -6.391 7.149 2.700 1.00 0.00 C ATOM 399 CD1 PHE A 27 -6.006 7.992 3.728 1.00 0.00 C ATOM 400 CD2 PHE A 27 -5.575 7.041 1.585 1.00 0.00 C ATOM 401 CE1 PHE A 27 -4.829 8.714 3.648 1.00 0.00 C ATOM 402 CE2 PHE A 27 -4.398 7.759 1.499 1.00 0.00 C ATOM 403 CZ PHE A 27 -4.025 8.598 2.532 1.00 0.00 C ATOM 0 H PHE A 27 -6.159 4.443 3.084 1.00 0.00 H new ATOM 0 HA PHE A 27 -7.544 6.043 4.911 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.781 5.762 1.890 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -8.510 7.060 2.814 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -6.632 8.087 4.603 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.863 6.388 0.774 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.539 9.368 4.458 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.770 7.665 0.625 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.106 9.162 2.466 1.00 0.00 H new ATOM 413 N GLN A 28 -9.416 3.849 3.303 1.00 0.00 N ATOM 414 CA GLN A 28 -10.715 3.187 3.313 1.00 0.00 C ATOM 415 C GLN A 28 -11.010 2.589 4.685 1.00 0.00 C ATOM 416 O GLN A 28 -12.165 2.516 5.106 1.00 0.00 O ATOM 417 CB GLN A 28 -10.761 2.093 2.245 1.00 0.00 C ATOM 418 CG GLN A 28 -10.957 2.626 0.836 1.00 0.00 C ATOM 419 CD GLN A 28 -12.337 3.215 0.621 1.00 0.00 C ATOM 420 OE1 GLN A 28 -13.321 2.744 1.193 1.00 0.00 O ATOM 421 NE2 GLN A 28 -12.418 4.250 -0.206 1.00 0.00 N ATOM 0 H GLN A 28 -8.759 3.480 2.615 1.00 0.00 H new ATOM 0 HA GLN A 28 -11.478 3.933 3.091 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.834 1.521 2.282 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -11.571 1.402 2.479 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -10.205 3.388 0.632 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -10.795 1.819 0.121 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.577 4.608 -0.659 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -13.321 4.687 -0.389 1.00 0.00 H new ATOM 430 N HIS A 29 -9.959 2.161 5.377 1.00 0.00 N ATOM 431 CA HIS A 29 -10.106 1.568 6.702 1.00 0.00 C ATOM 432 C HIS A 29 -9.325 2.364 7.743 1.00 0.00 C ATOM 433 O HIS A 29 -8.802 1.800 8.705 1.00 0.00 O ATOM 434 CB HIS A 29 -9.630 0.116 6.690 1.00 0.00 C ATOM 435 CG HIS A 29 -9.886 -0.588 5.393 1.00 0.00 C ATOM 436 ND1 HIS A 29 -11.106 -1.143 5.066 1.00 0.00 N ATOM 437 CD2 HIS A 29 -9.072 -0.825 4.338 1.00 0.00 C ATOM 438 CE1 HIS A 29 -11.030 -1.692 3.867 1.00 0.00 C ATOM 439 NE2 HIS A 29 -9.807 -1.512 3.403 1.00 0.00 N ATOM 0 H HIS A 29 -8.997 2.214 5.043 1.00 0.00 H new ATOM 0 HA HIS A 29 -11.162 1.593 6.969 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.561 0.091 6.903 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -10.128 -0.427 7.493 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -8.037 -0.529 4.248 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -11.832 -2.202 3.353 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -9.464 -1.831 2.497 1.00 0.00 H new ATOM 448 N ILE A 30 -9.248 3.675 7.543 1.00 0.00 N ATOM 449 CA ILE A 30 -8.530 4.548 8.464 1.00 0.00 C ATOM 450 C ILE A 30 -8.884 4.227 9.912 1.00 0.00 C ATOM 451 O ILE A 30 -8.006 4.116 10.767 1.00 0.00 O ATOM 452 CB ILE A 30 -8.837 6.031 8.189 1.00 0.00 C ATOM 453 CG1 ILE A 30 -8.053 6.924 9.153 1.00 0.00 C ATOM 454 CG2 ILE A 30 -10.330 6.295 8.310 1.00 0.00 C ATOM 455 CD1 ILE A 30 -6.601 7.102 8.768 1.00 0.00 C ATOM 0 H ILE A 30 -9.674 4.157 6.751 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.467 4.371 8.304 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.528 6.267 7.171 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.531 7.903 9.199 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -8.105 6.497 10.155 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.530 7.348 8.113 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -10.868 5.682 7.587 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.663 6.045 9.317 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.108 7.746 9.496 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.107 6.130 8.750 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.540 7.558 7.780 1.00 0.00 H new ATOM 467 N GLY A 31 -10.178 4.077 10.181 1.00 0.00 N ATOM 468 CA GLY A 31 -10.625 3.769 11.527 1.00 0.00 C ATOM 469 C GLY A 31 -9.925 2.556 12.107 1.00 0.00 C ATOM 470 O GLY A 31 -9.478 2.578 13.254 1.00 0.00 O ATOM 0 H GLY A 31 -10.924 4.163 9.491 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.447 4.630 12.171 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.701 3.594 11.518 1.00 0.00 H new ATOM 474 N HIS A 32 -9.831 1.494 11.313 1.00 0.00 N ATOM 475 CA HIS A 32 -9.181 0.265 11.755 1.00 0.00 C ATOM 476 C HIS A 32 -8.211 -0.249 10.695 1.00 0.00 C ATOM 477 O HIS A 32 -8.541 -1.114 9.885 1.00 0.00 O ATOM 478 CB HIS A 32 -10.227 -0.806 12.068 1.00 0.00 C ATOM 479 CG HIS A 32 -9.635 -2.120 12.474 1.00 0.00 C ATOM 480 ND1 HIS A 32 -10.117 -3.333 12.027 1.00 0.00 N ATOM 481 CD2 HIS A 32 -8.594 -2.409 13.290 1.00 0.00 C ATOM 482 CE1 HIS A 32 -9.399 -4.310 12.551 1.00 0.00 C ATOM 483 NE2 HIS A 32 -8.468 -3.776 13.321 1.00 0.00 N ATOM 0 H HIS A 32 -10.196 1.460 10.361 1.00 0.00 H new ATOM 0 HA HIS A 32 -8.617 0.487 12.661 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.875 -0.446 12.867 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -10.856 -0.956 11.190 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -7.977 -1.697 13.818 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -9.548 -5.366 12.379 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -7.769 -4.295 13.852 1.00 0.00 H new ATOM 492 N PRO A 33 -6.986 0.297 10.699 1.00 0.00 N ATOM 493 CA PRO A 33 -5.944 -0.091 9.744 1.00 0.00 C ATOM 494 C PRO A 33 -5.423 -1.502 9.996 1.00 0.00 C ATOM 495 O PRO A 33 -4.356 -1.685 10.582 1.00 0.00 O ATOM 496 CB PRO A 33 -4.838 0.939 9.989 1.00 0.00 C ATOM 497 CG PRO A 33 -5.040 1.385 11.396 1.00 0.00 C ATOM 498 CD PRO A 33 -6.524 1.334 11.637 1.00 0.00 C ATOM 0 HA PRO A 33 -6.315 -0.104 8.719 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -3.850 0.499 9.851 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -4.915 1.775 9.294 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.509 0.735 12.092 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.655 2.394 11.545 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -6.755 1.073 12.670 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -6.997 2.296 11.438 1.00 0.00 H new ATOM 506 N TYR A 34 -6.182 -2.496 9.548 1.00 0.00 N ATOM 507 CA TYR A 34 -5.798 -3.891 9.727 1.00 0.00 C ATOM 508 C TYR A 34 -6.064 -4.696 8.458 1.00 0.00 C ATOM 509 O TYR A 34 -7.207 -4.995 8.110 1.00 0.00 O ATOM 510 CB TYR A 34 -6.559 -4.505 10.902 1.00 0.00 C ATOM 511 CG TYR A 34 -5.991 -4.132 12.253 1.00 0.00 C ATOM 512 CD1 TYR A 34 -6.000 -2.814 12.692 1.00 0.00 C ATOM 513 CD2 TYR A 34 -5.446 -5.098 13.090 1.00 0.00 C ATOM 514 CE1 TYR A 34 -5.482 -2.468 13.925 1.00 0.00 C ATOM 515 CE2 TYR A 34 -4.926 -4.762 14.325 1.00 0.00 C ATOM 516 CZ TYR A 34 -4.946 -3.446 14.738 1.00 0.00 C ATOM 517 OH TYR A 34 -4.429 -3.106 15.967 1.00 0.00 O ATOM 0 H TYR A 34 -7.067 -2.361 9.058 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.729 -3.923 9.939 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.601 -4.187 10.855 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.552 -5.590 10.801 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -6.419 -2.047 12.058 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.429 -6.129 12.770 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.496 -1.438 14.251 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.506 -5.525 14.963 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.092 -3.910 16.414 1.00 0.00 H new ATOM 527 N PRO A 35 -4.984 -5.056 7.750 1.00 0.00 N ATOM 528 CA PRO A 35 -5.073 -5.832 6.509 1.00 0.00 C ATOM 529 C PRO A 35 -5.512 -7.271 6.756 1.00 0.00 C ATOM 530 O PRO A 35 -5.088 -7.904 7.724 1.00 0.00 O ATOM 531 CB PRO A 35 -3.643 -5.796 5.965 1.00 0.00 C ATOM 532 CG PRO A 35 -2.785 -5.586 7.165 1.00 0.00 C ATOM 533 CD PRO A 35 -3.591 -4.734 8.106 1.00 0.00 C ATOM 0 HA PRO A 35 -5.815 -5.422 5.824 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -3.390 -6.726 5.456 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.515 -4.991 5.241 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -2.522 -6.537 7.628 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -1.851 -5.093 6.895 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.377 -4.973 9.148 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -3.377 -3.674 7.972 1.00 0.00 H new ATOM 541 N THR A 36 -6.365 -7.785 5.875 1.00 0.00 N ATOM 542 CA THR A 36 -6.862 -9.149 5.997 1.00 0.00 C ATOM 543 C THR A 36 -5.961 -10.131 5.258 1.00 0.00 C ATOM 544 O THR A 36 -5.439 -9.823 4.187 1.00 0.00 O ATOM 545 CB THR A 36 -8.297 -9.275 5.451 1.00 0.00 C ATOM 546 OG1 THR A 36 -8.313 -8.990 4.048 1.00 0.00 O ATOM 547 CG2 THR A 36 -9.238 -8.327 6.178 1.00 0.00 C ATOM 0 H THR A 36 -6.726 -7.276 5.068 1.00 0.00 H new ATOM 0 HA THR A 36 -6.863 -9.391 7.060 1.00 0.00 H new ATOM 0 HB THR A 36 -8.638 -10.297 5.618 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.228 -9.074 3.708 1.00 0.00 H new ATOM 0 HG21 THR A 36 -10.245 -8.434 5.775 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.245 -8.566 7.241 1.00 0.00 H new ATOM 0 HG23 THR A 36 -8.899 -7.300 6.039 1.00 0.00 H new ATOM 555 N GLU A 37 -5.782 -11.315 5.837 1.00 0.00 N ATOM 556 CA GLU A 37 -4.943 -12.342 5.231 1.00 0.00 C ATOM 557 C GLU A 37 -5.017 -12.276 3.708 1.00 0.00 C ATOM 558 O GLU A 37 -4.028 -12.521 3.017 1.00 0.00 O ATOM 559 CB GLU A 37 -5.369 -13.730 5.714 1.00 0.00 C ATOM 560 CG GLU A 37 -6.445 -14.370 4.854 1.00 0.00 C ATOM 561 CD GLU A 37 -6.723 -15.810 5.241 1.00 0.00 C ATOM 562 OE1 GLU A 37 -5.982 -16.701 4.777 1.00 0.00 O ATOM 563 OE2 GLU A 37 -7.680 -16.044 6.007 1.00 0.00 O ATOM 0 H GLU A 37 -6.207 -11.586 6.724 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.912 -12.160 5.536 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.496 -14.382 5.734 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.733 -13.653 6.739 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.365 -13.791 4.939 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.140 -14.331 3.808 1.00 0.00 H new ATOM 570 N ASP A 38 -6.195 -11.945 3.193 1.00 0.00 N ATOM 571 CA ASP A 38 -6.399 -11.847 1.752 1.00 0.00 C ATOM 572 C ASP A 38 -5.764 -10.575 1.199 1.00 0.00 C ATOM 573 O ASP A 38 -5.026 -10.616 0.215 1.00 0.00 O ATOM 574 CB ASP A 38 -7.893 -11.870 1.424 1.00 0.00 C ATOM 575 CG ASP A 38 -8.560 -13.162 1.854 1.00 0.00 C ATOM 576 OD1 ASP A 38 -8.295 -14.205 1.221 1.00 0.00 O ATOM 577 OD2 ASP A 38 -9.348 -13.130 2.822 1.00 0.00 O ATOM 0 H ASP A 38 -7.024 -11.740 3.751 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.919 -12.706 1.283 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -8.383 -11.030 1.916 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -8.029 -11.734 0.351 1.00 0.00 H new ATOM 582 N GLU A 39 -6.057 -9.447 1.838 1.00 0.00 N ATOM 583 CA GLU A 39 -5.516 -8.163 1.408 1.00 0.00 C ATOM 584 C GLU A 39 -3.995 -8.224 1.296 1.00 0.00 C ATOM 585 O GLU A 39 -3.410 -7.711 0.341 1.00 0.00 O ATOM 586 CB GLU A 39 -5.922 -7.059 2.387 1.00 0.00 C ATOM 587 CG GLU A 39 -7.351 -6.577 2.202 1.00 0.00 C ATOM 588 CD GLU A 39 -7.492 -5.599 1.052 1.00 0.00 C ATOM 589 OE1 GLU A 39 -6.753 -5.743 0.056 1.00 0.00 O ATOM 590 OE2 GLU A 39 -8.342 -4.689 1.149 1.00 0.00 O ATOM 0 H GLU A 39 -6.666 -9.396 2.655 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.927 -7.936 0.425 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.800 -7.426 3.406 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.244 -6.214 2.270 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.000 -7.435 2.026 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.692 -6.102 3.122 1.00 0.00 H new ATOM 597 N LYS A 40 -3.360 -8.854 2.278 1.00 0.00 N ATOM 598 CA LYS A 40 -1.908 -8.984 2.292 1.00 0.00 C ATOM 599 C LYS A 40 -1.420 -9.765 1.075 1.00 0.00 C ATOM 600 O LYS A 40 -0.404 -9.422 0.471 1.00 0.00 O ATOM 601 CB LYS A 40 -1.449 -9.680 3.575 1.00 0.00 C ATOM 602 CG LYS A 40 -1.998 -9.045 4.841 1.00 0.00 C ATOM 603 CD LYS A 40 -1.075 -9.275 6.026 1.00 0.00 C ATOM 604 CE LYS A 40 -1.843 -9.277 7.339 1.00 0.00 C ATOM 605 NZ LYS A 40 -0.997 -8.825 8.477 1.00 0.00 N ATOM 0 H LYS A 40 -3.829 -9.283 3.076 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.479 -7.983 2.256 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.755 -10.726 3.541 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.360 -9.668 3.615 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.130 -7.974 4.684 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.982 -9.459 5.060 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.556 -10.226 5.905 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.312 -8.497 6.051 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.713 -8.626 7.252 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.216 -10.281 7.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.606 -8.501 9.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.407 -9.615 8.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.386 -8.043 8.166 1.00 0.00 H new ATOM 619 N LYS A 41 -2.151 -10.816 0.721 1.00 0.00 N ATOM 620 CA LYS A 41 -1.796 -11.645 -0.425 1.00 0.00 C ATOM 621 C LYS A 41 -2.037 -10.897 -1.733 1.00 0.00 C ATOM 622 O LYS A 41 -1.137 -10.776 -2.563 1.00 0.00 O ATOM 623 CB LYS A 41 -2.604 -12.944 -0.411 1.00 0.00 C ATOM 624 CG LYS A 41 -2.165 -13.922 0.664 1.00 0.00 C ATOM 625 CD LYS A 41 -3.013 -15.183 0.651 1.00 0.00 C ATOM 626 CE LYS A 41 -2.566 -16.167 1.722 1.00 0.00 C ATOM 627 NZ LYS A 41 -3.186 -17.508 1.536 1.00 0.00 N ATOM 0 H LYS A 41 -2.994 -11.114 1.212 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.735 -11.884 -0.354 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.657 -12.705 -0.265 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.519 -13.426 -1.385 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.118 -14.185 0.512 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.235 -13.445 1.642 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.059 -14.921 0.810 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.948 -15.656 -0.329 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.480 -16.262 1.698 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.830 -15.778 2.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.857 -18.150 2.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.221 -17.422 1.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.914 -17.891 0.608 1.00 0.00 H new ATOM 641 N GLN A 42 -3.256 -10.398 -1.907 1.00 0.00 N ATOM 642 CA GLN A 42 -3.614 -9.661 -3.114 1.00 0.00 C ATOM 643 C GLN A 42 -2.733 -8.427 -3.280 1.00 0.00 C ATOM 644 O GLN A 42 -2.106 -8.236 -4.323 1.00 0.00 O ATOM 645 CB GLN A 42 -5.086 -9.249 -3.068 1.00 0.00 C ATOM 646 CG GLN A 42 -6.040 -10.420 -2.891 1.00 0.00 C ATOM 647 CD GLN A 42 -7.490 -10.027 -3.096 1.00 0.00 C ATOM 648 OE1 GLN A 42 -8.036 -10.174 -4.190 1.00 0.00 O ATOM 649 NE2 GLN A 42 -8.122 -9.524 -2.043 1.00 0.00 N ATOM 0 H GLN A 42 -4.012 -10.490 -1.229 1.00 0.00 H new ATOM 0 HA GLN A 42 -3.454 -10.317 -3.970 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.232 -8.545 -2.249 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.337 -8.723 -3.989 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.778 -11.208 -3.597 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.918 -10.835 -1.891 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.631 -9.420 -1.155 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.099 -9.242 -2.121 1.00 0.00 H new ATOM 658 N ILE A 43 -2.691 -7.594 -2.246 1.00 0.00 N ATOM 659 CA ILE A 43 -1.886 -6.379 -2.278 1.00 0.00 C ATOM 660 C ILE A 43 -0.455 -6.678 -2.713 1.00 0.00 C ATOM 661 O ILE A 43 0.057 -6.075 -3.656 1.00 0.00 O ATOM 662 CB ILE A 43 -1.858 -5.686 -0.903 1.00 0.00 C ATOM 663 CG1 ILE A 43 -3.253 -5.174 -0.537 1.00 0.00 C ATOM 664 CG2 ILE A 43 -0.853 -4.544 -0.905 1.00 0.00 C ATOM 665 CD1 ILE A 43 -3.418 -4.869 0.935 1.00 0.00 C ATOM 0 H ILE A 43 -3.204 -7.738 -1.376 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.352 -5.712 -3.003 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.550 -6.414 -0.152 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.463 -4.272 -1.112 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.993 -5.919 -0.831 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.845 -4.064 0.074 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.141 -4.934 -1.126 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.133 -3.814 -1.664 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.431 -4.511 1.121 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.241 -5.774 1.516 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.702 -4.102 1.230 1.00 0.00 H new ATOM 677 N ALA A 44 0.184 -7.614 -2.020 1.00 0.00 N ATOM 678 CA ALA A 44 1.555 -7.997 -2.337 1.00 0.00 C ATOM 679 C ALA A 44 1.778 -8.040 -3.845 1.00 0.00 C ATOM 680 O ALA A 44 2.837 -7.650 -4.336 1.00 0.00 O ATOM 681 CB ALA A 44 1.883 -9.346 -1.714 1.00 0.00 C ATOM 0 H ALA A 44 -0.225 -8.121 -1.235 1.00 0.00 H new ATOM 0 HA ALA A 44 2.223 -7.244 -1.919 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.909 -9.620 -1.959 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.772 -9.283 -0.631 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.203 -10.102 -2.105 1.00 0.00 H new ATOM 687 N ALA A 45 0.774 -8.516 -4.574 1.00 0.00 N ATOM 688 CA ALA A 45 0.861 -8.609 -6.026 1.00 0.00 C ATOM 689 C ALA A 45 0.808 -7.226 -6.668 1.00 0.00 C ATOM 690 O ALA A 45 1.788 -6.767 -7.253 1.00 0.00 O ATOM 691 CB ALA A 45 -0.258 -9.487 -6.567 1.00 0.00 C ATOM 0 H ALA A 45 -0.109 -8.843 -4.183 1.00 0.00 H new ATOM 0 HA ALA A 45 1.819 -9.063 -6.280 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.181 -9.547 -7.653 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.174 -10.487 -6.141 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.222 -9.057 -6.295 1.00 0.00 H new ATOM 697 N GLN A 46 -0.342 -6.570 -6.556 1.00 0.00 N ATOM 698 CA GLN A 46 -0.522 -5.241 -7.127 1.00 0.00 C ATOM 699 C GLN A 46 0.672 -4.346 -6.811 1.00 0.00 C ATOM 700 O GLN A 46 1.104 -3.550 -7.645 1.00 0.00 O ATOM 701 CB GLN A 46 -1.807 -4.603 -6.595 1.00 0.00 C ATOM 702 CG GLN A 46 -3.048 -5.448 -6.833 1.00 0.00 C ATOM 703 CD GLN A 46 -4.301 -4.610 -6.998 1.00 0.00 C ATOM 704 OE1 GLN A 46 -4.717 -4.308 -8.117 1.00 0.00 O ATOM 705 NE2 GLN A 46 -4.911 -4.230 -5.881 1.00 0.00 N ATOM 0 H GLN A 46 -1.163 -6.937 -6.075 1.00 0.00 H new ATOM 0 HA GLN A 46 -0.598 -5.346 -8.209 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.699 -4.425 -5.525 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.943 -3.631 -7.068 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.903 -6.057 -7.725 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -3.182 -6.134 -5.997 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -4.531 -4.503 -4.974 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -5.759 -3.665 -5.930 1.00 0.00 H new ATOM 714 N THR A 47 1.203 -4.482 -5.599 1.00 0.00 N ATOM 715 CA THR A 47 2.346 -3.686 -5.172 1.00 0.00 C ATOM 716 C THR A 47 3.655 -4.429 -5.413 1.00 0.00 C ATOM 717 O THR A 47 4.735 -3.845 -5.330 1.00 0.00 O ATOM 718 CB THR A 47 2.246 -3.316 -3.680 1.00 0.00 C ATOM 719 OG1 THR A 47 2.378 -4.492 -2.874 1.00 0.00 O ATOM 720 CG2 THR A 47 0.920 -2.634 -3.378 1.00 0.00 C ATOM 0 H THR A 47 0.859 -5.136 -4.896 1.00 0.00 H new ATOM 0 HA THR A 47 2.335 -2.773 -5.767 1.00 0.00 H new ATOM 0 HB THR A 47 3.054 -2.623 -3.446 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.643 -5.109 -3.072 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.873 -2.383 -2.318 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.836 -1.723 -3.971 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.100 -3.307 -3.628 1.00 0.00 H new ATOM 728 N ASN A 48 3.551 -5.719 -5.713 1.00 0.00 N ATOM 729 CA ASN A 48 4.728 -6.542 -5.967 1.00 0.00 C ATOM 730 C ASN A 48 5.621 -6.610 -4.732 1.00 0.00 C ATOM 731 O ASN A 48 6.846 -6.666 -4.841 1.00 0.00 O ATOM 732 CB ASN A 48 5.519 -5.986 -7.152 1.00 0.00 C ATOM 733 CG ASN A 48 4.744 -6.067 -8.454 1.00 0.00 C ATOM 734 OD1 ASN A 48 3.945 -6.981 -8.657 1.00 0.00 O ATOM 735 ND2 ASN A 48 4.979 -5.109 -9.343 1.00 0.00 N ATOM 0 H ASN A 48 2.664 -6.217 -5.786 1.00 0.00 H new ATOM 0 HA ASN A 48 4.390 -7.551 -6.206 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.783 -4.947 -6.954 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.453 -6.539 -7.253 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.488 -5.111 -10.237 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.650 -4.371 -9.132 1.00 0.00 H new ATOM 742 N LEU A 49 4.999 -6.605 -3.558 1.00 0.00 N ATOM 743 CA LEU A 49 5.737 -6.666 -2.301 1.00 0.00 C ATOM 744 C LEU A 49 5.493 -7.994 -1.591 1.00 0.00 C ATOM 745 O LEU A 49 4.496 -8.672 -1.842 1.00 0.00 O ATOM 746 CB LEU A 49 5.330 -5.506 -1.391 1.00 0.00 C ATOM 747 CG LEU A 49 5.418 -4.109 -2.004 1.00 0.00 C ATOM 748 CD1 LEU A 49 4.834 -3.072 -1.057 1.00 0.00 C ATOM 749 CD2 LEU A 49 6.860 -3.767 -2.349 1.00 0.00 C ATOM 0 H LEU A 49 3.986 -6.559 -3.450 1.00 0.00 H new ATOM 0 HA LEU A 49 6.800 -6.586 -2.528 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.305 -5.672 -1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.959 -5.531 -0.501 1.00 0.00 H new ATOM 0 HG LEU A 49 4.834 -4.100 -2.924 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.906 -2.084 -1.511 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.788 -3.306 -0.861 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.390 -3.082 -0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.903 -2.769 -2.784 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.467 -3.795 -1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.244 -4.492 -3.066 1.00 0.00 H new ATOM 761 N THR A 50 6.410 -8.361 -0.701 1.00 0.00 N ATOM 762 CA THR A 50 6.295 -9.606 0.047 1.00 0.00 C ATOM 763 C THR A 50 5.454 -9.417 1.304 1.00 0.00 C ATOM 764 O THR A 50 5.494 -8.362 1.937 1.00 0.00 O ATOM 765 CB THR A 50 7.679 -10.152 0.445 1.00 0.00 C ATOM 766 OG1 THR A 50 8.465 -9.111 1.036 1.00 0.00 O ATOM 767 CG2 THR A 50 8.406 -10.719 -0.765 1.00 0.00 C ATOM 0 H THR A 50 7.241 -7.813 -0.481 1.00 0.00 H new ATOM 0 HA THR A 50 5.805 -10.325 -0.609 1.00 0.00 H new ATOM 0 HB THR A 50 7.534 -10.953 1.170 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.784 -8.505 0.336 1.00 0.00 H new ATOM 0 HG21 THR A 50 9.381 -11.098 -0.459 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.819 -11.531 -1.195 1.00 0.00 H new ATOM 0 HG23 THR A 50 8.540 -9.934 -1.510 1.00 0.00 H new ATOM 775 N LEU A 51 4.695 -10.446 1.662 1.00 0.00 N ATOM 776 CA LEU A 51 3.844 -10.394 2.846 1.00 0.00 C ATOM 777 C LEU A 51 4.500 -9.573 3.952 1.00 0.00 C ATOM 778 O LEU A 51 3.837 -8.793 4.637 1.00 0.00 O ATOM 779 CB LEU A 51 3.551 -11.808 3.351 1.00 0.00 C ATOM 780 CG LEU A 51 2.299 -12.478 2.783 1.00 0.00 C ATOM 781 CD1 LEU A 51 1.046 -11.765 3.268 1.00 0.00 C ATOM 782 CD2 LEU A 51 2.349 -12.498 1.262 1.00 0.00 C ATOM 0 H LEU A 51 4.651 -11.327 1.150 1.00 0.00 H new ATOM 0 HA LEU A 51 2.906 -9.913 2.568 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.411 -12.439 3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.459 -11.773 4.437 1.00 0.00 H new ATOM 0 HG LEU A 51 2.267 -13.508 3.139 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.165 -12.255 2.854 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.004 -11.803 4.357 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.070 -10.725 2.942 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.450 -12.978 0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.405 -11.476 0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.227 -13.054 0.934 1.00 0.00 H new ATOM 794 N LEU A 52 5.805 -9.751 4.119 1.00 0.00 N ATOM 795 CA LEU A 52 6.553 -9.025 5.140 1.00 0.00 C ATOM 796 C LEU A 52 6.549 -7.527 4.855 1.00 0.00 C ATOM 797 O LEU A 52 6.175 -6.724 5.709 1.00 0.00 O ATOM 798 CB LEU A 52 7.992 -9.539 5.209 1.00 0.00 C ATOM 799 CG LEU A 52 8.813 -9.075 6.413 1.00 0.00 C ATOM 800 CD1 LEU A 52 9.991 -10.007 6.646 1.00 0.00 C ATOM 801 CD2 LEU A 52 9.293 -7.645 6.211 1.00 0.00 C ATOM 0 H LEU A 52 6.368 -10.392 3.560 1.00 0.00 H new ATOM 0 HA LEU A 52 6.067 -9.195 6.101 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.968 -10.629 5.209 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.510 -9.232 4.301 1.00 0.00 H new ATOM 0 HG LEU A 52 8.175 -9.102 7.296 1.00 0.00 H new ATOM 0 HD11 LEU A 52 10.564 -9.661 7.507 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.625 -11.016 6.835 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.630 -10.013 5.763 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.875 -7.331 7.077 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.915 -7.593 5.317 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.433 -6.986 6.094 1.00 0.00 H new ATOM 813 N GLN A 53 6.965 -7.158 3.648 1.00 0.00 N ATOM 814 CA GLN A 53 7.009 -5.756 3.250 1.00 0.00 C ATOM 815 C GLN A 53 5.644 -5.098 3.428 1.00 0.00 C ATOM 816 O GLN A 53 5.512 -4.102 4.139 1.00 0.00 O ATOM 817 CB GLN A 53 7.463 -5.631 1.795 1.00 0.00 C ATOM 818 CG GLN A 53 8.913 -6.028 1.574 1.00 0.00 C ATOM 819 CD GLN A 53 9.321 -5.963 0.115 1.00 0.00 C ATOM 820 OE1 GLN A 53 9.233 -6.954 -0.611 1.00 0.00 O ATOM 821 NE2 GLN A 53 9.770 -4.792 -0.323 1.00 0.00 N ATOM 0 H GLN A 53 7.276 -7.811 2.929 1.00 0.00 H new ATOM 0 HA GLN A 53 7.726 -5.244 3.892 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.825 -6.255 1.169 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.323 -4.601 1.467 1.00 0.00 H new ATOM 0 HG2 GLN A 53 9.558 -5.371 2.157 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.069 -7.041 1.946 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.826 -3.997 0.313 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.059 -4.688 -1.296 1.00 0.00 H new ATOM 830 N VAL A 54 4.632 -5.660 2.775 1.00 0.00 N ATOM 831 CA VAL A 54 3.277 -5.128 2.862 1.00 0.00 C ATOM 832 C VAL A 54 2.883 -4.861 4.310 1.00 0.00 C ATOM 833 O VAL A 54 2.207 -3.877 4.608 1.00 0.00 O ATOM 834 CB VAL A 54 2.254 -6.092 2.232 1.00 0.00 C ATOM 835 CG1 VAL A 54 0.849 -5.519 2.330 1.00 0.00 C ATOM 836 CG2 VAL A 54 2.620 -6.386 0.785 1.00 0.00 C ATOM 0 H VAL A 54 4.725 -6.483 2.180 1.00 0.00 H new ATOM 0 HA VAL A 54 3.269 -4.189 2.308 1.00 0.00 H new ATOM 0 HB VAL A 54 2.276 -7.030 2.786 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.140 -6.214 1.880 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.591 -5.366 3.378 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.807 -4.566 1.803 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.887 -7.069 0.356 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.628 -5.457 0.216 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.608 -6.844 0.746 1.00 0.00 H new ATOM 846 N ASN A 55 3.311 -5.744 5.206 1.00 0.00 N ATOM 847 CA ASN A 55 3.003 -5.604 6.625 1.00 0.00 C ATOM 848 C ASN A 55 3.772 -4.436 7.236 1.00 0.00 C ATOM 849 O ASN A 55 3.178 -3.503 7.775 1.00 0.00 O ATOM 850 CB ASN A 55 3.338 -6.896 7.371 1.00 0.00 C ATOM 851 CG ASN A 55 2.166 -7.857 7.420 1.00 0.00 C ATOM 852 OD1 ASN A 55 1.008 -7.440 7.447 1.00 0.00 O ATOM 853 ND2 ASN A 55 2.462 -9.151 7.431 1.00 0.00 N ATOM 0 H ASN A 55 3.872 -6.564 4.975 1.00 0.00 H new ATOM 0 HA ASN A 55 1.936 -5.403 6.721 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.184 -7.383 6.886 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.649 -6.655 8.387 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.715 -9.845 7.463 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.436 -9.451 7.407 1.00 0.00 H new ATOM 860 N ASN A 56 5.096 -4.495 7.146 1.00 0.00 N ATOM 861 CA ASN A 56 5.947 -3.443 7.690 1.00 0.00 C ATOM 862 C ASN A 56 5.433 -2.065 7.286 1.00 0.00 C ATOM 863 O ASN A 56 5.207 -1.202 8.134 1.00 0.00 O ATOM 864 CB ASN A 56 7.388 -3.624 7.208 1.00 0.00 C ATOM 865 CG ASN A 56 8.206 -4.492 8.145 1.00 0.00 C ATOM 866 OD1 ASN A 56 9.190 -4.037 8.730 1.00 0.00 O ATOM 867 ND2 ASN A 56 7.803 -5.748 8.290 1.00 0.00 N ATOM 0 H ASN A 56 5.603 -5.260 6.701 1.00 0.00 H new ATOM 0 HA ASN A 56 5.923 -3.516 8.777 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.382 -4.072 6.214 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.863 -2.647 7.115 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.314 -6.380 8.906 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.982 -6.082 7.785 1.00 0.00 H new ATOM 874 N TRP A 57 5.251 -1.866 5.985 1.00 0.00 N ATOM 875 CA TRP A 57 4.762 -0.592 5.469 1.00 0.00 C ATOM 876 C TRP A 57 3.515 -0.142 6.220 1.00 0.00 C ATOM 877 O TRP A 57 3.425 1.003 6.664 1.00 0.00 O ATOM 878 CB TRP A 57 4.459 -0.707 3.974 1.00 0.00 C ATOM 879 CG TRP A 57 4.134 0.607 3.331 1.00 0.00 C ATOM 880 CD1 TRP A 57 4.972 1.382 2.582 1.00 0.00 C ATOM 881 CD2 TRP A 57 2.881 1.299 3.381 1.00 0.00 C ATOM 882 NE1 TRP A 57 4.316 2.515 2.164 1.00 0.00 N ATOM 883 CE2 TRP A 57 3.032 2.488 2.641 1.00 0.00 C ATOM 884 CE3 TRP A 57 1.647 1.030 3.979 1.00 0.00 C ATOM 885 CZ2 TRP A 57 1.995 3.403 2.484 1.00 0.00 C ATOM 886 CZ3 TRP A 57 0.619 1.940 3.823 1.00 0.00 C ATOM 887 CH2 TRP A 57 0.798 3.115 3.080 1.00 0.00 C ATOM 0 H TRP A 57 5.434 -2.569 5.269 1.00 0.00 H new ATOM 0 HA TRP A 57 5.541 0.155 5.619 1.00 0.00 H new ATOM 0 HB2 TRP A 57 5.319 -1.148 3.469 1.00 0.00 H new ATOM 0 HB3 TRP A 57 3.621 -1.390 3.832 1.00 0.00 H new ATOM 0 HD1 TRP A 57 5.999 1.140 2.352 1.00 0.00 H new ATOM 0 HE1 TRP A 57 4.720 3.256 1.591 1.00 0.00 H new ATOM 0 HE3 TRP A 57 1.499 0.127 4.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 2.131 4.309 1.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -0.339 1.743 4.281 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -0.025 3.806 2.976 1.00 0.00 H new ATOM 898 N PHE A 58 2.554 -1.049 6.361 1.00 0.00 N ATOM 899 CA PHE A 58 1.310 -0.744 7.059 1.00 0.00 C ATOM 900 C PHE A 58 1.577 -0.408 8.523 1.00 0.00 C ATOM 901 O PHE A 58 1.145 0.632 9.020 1.00 0.00 O ATOM 902 CB PHE A 58 0.344 -1.927 6.963 1.00 0.00 C ATOM 903 CG PHE A 58 -0.483 -1.925 5.709 1.00 0.00 C ATOM 904 CD1 PHE A 58 -1.166 -0.786 5.316 1.00 0.00 C ATOM 905 CD2 PHE A 58 -0.576 -3.062 4.923 1.00 0.00 C ATOM 906 CE1 PHE A 58 -1.928 -0.782 4.163 1.00 0.00 C ATOM 907 CE2 PHE A 58 -1.336 -3.064 3.769 1.00 0.00 C ATOM 908 CZ PHE A 58 -2.012 -1.922 3.387 1.00 0.00 C ATOM 0 H PHE A 58 2.613 -2.002 6.001 1.00 0.00 H new ATOM 0 HA PHE A 58 0.858 0.125 6.582 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.913 -2.855 7.012 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.320 -1.914 7.827 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.102 0.109 5.917 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.048 -3.958 5.216 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.458 0.112 3.869 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.401 -3.958 3.166 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.605 -1.920 2.484 1.00 0.00 H new ATOM 918 N ILE A 59 2.291 -1.296 9.207 1.00 0.00 N ATOM 919 CA ILE A 59 2.616 -1.094 10.613 1.00 0.00 C ATOM 920 C ILE A 59 3.244 0.277 10.841 1.00 0.00 C ATOM 921 O ILE A 59 3.070 0.883 11.898 1.00 0.00 O ATOM 922 CB ILE A 59 3.578 -2.179 11.131 1.00 0.00 C ATOM 923 CG1 ILE A 59 2.902 -3.551 11.092 1.00 0.00 C ATOM 924 CG2 ILE A 59 4.039 -1.849 12.543 1.00 0.00 C ATOM 925 CD1 ILE A 59 3.875 -4.700 10.940 1.00 0.00 C ATOM 0 H ILE A 59 2.655 -2.162 8.810 1.00 0.00 H new ATOM 0 HA ILE A 59 1.678 -1.158 11.165 1.00 0.00 H new ATOM 0 HB ILE A 59 4.453 -2.207 10.482 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.328 -3.690 12.008 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.193 -3.574 10.265 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.718 -2.625 12.895 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.555 -0.889 12.542 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.175 -1.796 13.205 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.326 -5.641 10.920 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.432 -4.585 10.010 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.569 -4.703 11.780 1.00 0.00 H new ATOM 937 N ASN A 60 3.973 0.762 9.841 1.00 0.00 N ATOM 938 CA ASN A 60 4.626 2.062 9.931 1.00 0.00 C ATOM 939 C ASN A 60 3.670 3.181 9.528 1.00 0.00 C ATOM 940 O ASN A 60 3.907 4.351 9.825 1.00 0.00 O ATOM 941 CB ASN A 60 5.870 2.094 9.041 1.00 0.00 C ATOM 942 CG ASN A 60 6.912 3.077 9.539 1.00 0.00 C ATOM 943 OD1 ASN A 60 6.587 4.058 10.208 1.00 0.00 O ATOM 944 ND2 ASN A 60 8.173 2.817 9.214 1.00 0.00 N ATOM 0 H ASN A 60 4.126 0.274 8.959 1.00 0.00 H new ATOM 0 HA ASN A 60 4.925 2.219 10.967 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.307 1.097 8.997 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.580 2.360 8.025 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.918 3.442 9.521 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.397 1.992 8.658 1.00 0.00 H new ATOM 951 N ALA A 61 2.588 2.811 8.851 1.00 0.00 N ATOM 952 CA ALA A 61 1.594 3.782 8.409 1.00 0.00 C ATOM 953 C ALA A 61 0.516 3.984 9.469 1.00 0.00 C ATOM 954 O ALA A 61 0.004 5.090 9.644 1.00 0.00 O ATOM 955 CB ALA A 61 0.969 3.337 7.095 1.00 0.00 C ATOM 0 H ALA A 61 2.377 1.846 8.597 1.00 0.00 H new ATOM 0 HA ALA A 61 2.097 4.736 8.254 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.229 4.071 6.777 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.745 3.251 6.334 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.485 2.370 7.231 1.00 0.00 H new ATOM 961 N ARG A 62 0.174 2.908 10.171 1.00 0.00 N ATOM 962 CA ARG A 62 -0.845 2.968 11.212 1.00 0.00 C ATOM 963 C ARG A 62 -0.296 3.627 12.474 1.00 0.00 C ATOM 964 O ARG A 62 -1.054 4.124 13.307 1.00 0.00 O ATOM 965 CB ARG A 62 -1.355 1.563 11.537 1.00 0.00 C ATOM 966 CG ARG A 62 -0.259 0.604 11.975 1.00 0.00 C ATOM 967 CD ARG A 62 -0.815 -0.523 12.831 1.00 0.00 C ATOM 968 NE ARG A 62 -1.221 -1.673 12.027 1.00 0.00 N ATOM 969 CZ ARG A 62 -1.304 -2.910 12.503 1.00 0.00 C ATOM 970 NH1 ARG A 62 -1.011 -3.157 13.772 1.00 0.00 N ATOM 971 NH2 ARG A 62 -1.681 -3.904 11.708 1.00 0.00 N ATOM 0 H ARG A 62 0.587 1.985 10.038 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.673 3.571 10.840 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.104 1.631 12.326 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.854 1.154 10.658 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.233 0.186 11.097 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.500 1.149 12.537 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.061 -0.834 13.554 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.670 -0.158 13.399 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.454 -1.517 11.046 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.721 -2.396 14.386 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.076 -4.108 14.135 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.907 -3.718 10.731 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.745 -4.854 12.074 1.00 0.00 H new ATOM 985 N ARG A 63 1.026 3.625 12.608 1.00 0.00 N ATOM 986 CA ARG A 63 1.677 4.221 13.769 1.00 0.00 C ATOM 987 C ARG A 63 1.917 5.712 13.552 1.00 0.00 C ATOM 988 O ARG A 63 1.770 6.515 14.473 1.00 0.00 O ATOM 989 CB ARG A 63 3.004 3.515 14.055 1.00 0.00 C ATOM 990 CG ARG A 63 4.108 3.876 13.075 1.00 0.00 C ATOM 991 CD ARG A 63 5.450 3.312 13.515 1.00 0.00 C ATOM 992 NE ARG A 63 6.570 4.045 12.932 1.00 0.00 N ATOM 993 CZ ARG A 63 7.821 3.597 12.931 1.00 0.00 C ATOM 994 NH1 ARG A 63 8.109 2.425 13.479 1.00 0.00 N ATOM 995 NH2 ARG A 63 8.786 4.322 12.381 1.00 0.00 N ATOM 0 H ARG A 63 1.667 3.218 11.927 1.00 0.00 H new ATOM 0 HA ARG A 63 1.016 4.099 14.627 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.329 3.766 15.065 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.845 2.437 14.030 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.858 3.493 12.086 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.179 4.960 12.988 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.520 3.349 14.602 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.514 2.263 13.227 1.00 0.00 H new ATOM 0 HE ARG A 63 6.382 4.951 12.502 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.370 1.865 13.903 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.070 2.083 13.477 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.568 5.224 11.958 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.746 3.977 12.381 1.00 0.00 H new ATOM 1009 N ARG A 64 2.288 6.074 12.328 1.00 0.00 N ATOM 1010 CA ARG A 64 2.551 7.468 11.991 1.00 0.00 C ATOM 1011 C ARG A 64 1.260 8.281 11.993 1.00 0.00 C ATOM 1012 O ARG A 64 1.241 9.432 12.429 1.00 0.00 O ATOM 1013 CB ARG A 64 3.225 7.565 10.621 1.00 0.00 C ATOM 1014 CG ARG A 64 2.299 7.233 9.462 1.00 0.00 C ATOM 1015 CD ARG A 64 3.046 7.225 8.137 1.00 0.00 C ATOM 1016 NE ARG A 64 3.035 8.536 7.495 1.00 0.00 N ATOM 1017 CZ ARG A 64 3.913 9.496 7.769 1.00 0.00 C ATOM 1018 NH1 ARG A 64 4.865 9.290 8.668 1.00 0.00 N ATOM 1019 NH2 ARG A 64 3.838 10.663 7.143 1.00 0.00 N ATOM 0 H ARG A 64 2.413 5.422 11.554 1.00 0.00 H new ATOM 0 HA ARG A 64 3.220 7.879 12.748 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.613 8.575 10.487 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.080 6.889 10.597 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.841 6.258 9.629 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.490 7.962 9.421 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.077 6.912 8.304 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.594 6.491 7.470 1.00 0.00 H new ATOM 0 HE ARG A 64 2.315 8.726 6.798 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.925 8.394 9.151 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.538 10.028 8.877 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.106 10.824 6.451 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.512 11.399 7.354 1.00 0.00 H new ATOM 1033 N ILE A 65 0.184 7.674 11.503 1.00 0.00 N ATOM 1034 CA ILE A 65 -1.111 8.341 11.449 1.00 0.00 C ATOM 1035 C ILE A 65 -1.722 8.469 12.840 1.00 0.00 C ATOM 1036 O ILE A 65 -2.301 9.500 13.184 1.00 0.00 O ATOM 1037 CB ILE A 65 -2.095 7.587 10.536 1.00 0.00 C ATOM 1038 CG1 ILE A 65 -2.382 6.194 11.099 1.00 0.00 C ATOM 1039 CG2 ILE A 65 -1.538 7.489 9.123 1.00 0.00 C ATOM 1040 CD1 ILE A 65 -3.257 5.348 10.201 1.00 0.00 C ATOM 0 H ILE A 65 0.184 6.722 11.138 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.937 9.336 11.038 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.032 8.143 10.499 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.437 5.676 11.265 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.864 6.296 12.071 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.245 6.953 8.490 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.380 8.491 8.724 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.589 6.952 9.142 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.419 4.374 10.663 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.216 5.844 10.055 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.767 5.215 9.236 1.00 0.00 H new ATOM 1052 N LEU A 66 -1.586 7.415 13.638 1.00 0.00 N ATOM 1053 CA LEU A 66 -2.124 7.409 14.995 1.00 0.00 C ATOM 1054 C LEU A 66 -1.667 8.643 15.767 1.00 0.00 C ATOM 1055 O LEU A 66 -2.473 9.325 16.398 1.00 0.00 O ATOM 1056 CB LEU A 66 -1.687 6.142 15.731 1.00 0.00 C ATOM 1057 CG LEU A 66 -2.618 4.936 15.602 1.00 0.00 C ATOM 1058 CD1 LEU A 66 -1.861 3.645 15.873 1.00 0.00 C ATOM 1059 CD2 LEU A 66 -3.801 5.071 16.550 1.00 0.00 C ATOM 0 H LEU A 66 -1.109 6.555 13.370 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.212 7.427 14.929 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.701 5.855 15.365 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.578 6.380 16.789 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.998 4.903 14.581 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.540 2.798 15.777 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.048 3.542 15.154 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.451 3.668 16.883 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.453 4.204 16.444 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.440 5.130 17.577 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.359 5.976 16.309 1.00 0.00 H new ATOM 1071 N GLN A 67 -0.369 8.923 15.710 1.00 0.00 N ATOM 1072 CA GLN A 67 0.195 10.075 16.403 1.00 0.00 C ATOM 1073 C GLN A 67 -0.393 11.375 15.864 1.00 0.00 C ATOM 1074 O GLN A 67 -0.499 11.565 14.653 1.00 0.00 O ATOM 1075 CB GLN A 67 1.717 10.091 16.257 1.00 0.00 C ATOM 1076 CG GLN A 67 2.401 8.886 16.882 1.00 0.00 C ATOM 1077 CD GLN A 67 2.324 8.891 18.396 1.00 0.00 C ATOM 1078 OE1 GLN A 67 1.849 9.853 19.001 1.00 0.00 O ATOM 1079 NE2 GLN A 67 2.791 7.814 19.016 1.00 0.00 N ATOM 0 H GLN A 67 0.312 8.368 15.191 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.060 9.992 17.460 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.972 10.134 15.198 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.108 10.999 16.716 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.941 7.974 16.502 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.447 8.867 16.575 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.176 7.040 18.474 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.765 7.760 20.034 1.00 0.00 H new ATOM 1088 N SER A 68 -0.775 12.268 16.773 1.00 0.00 N ATOM 1089 CA SER A 68 -1.357 13.549 16.388 1.00 0.00 C ATOM 1090 C SER A 68 -0.401 14.333 15.495 1.00 0.00 C ATOM 1091 O SER A 68 0.629 14.828 15.952 1.00 0.00 O ATOM 1092 CB SER A 68 -1.701 14.370 17.632 1.00 0.00 C ATOM 1093 OG SER A 68 -2.619 13.680 18.462 1.00 0.00 O ATOM 0 H SER A 68 -0.692 12.128 17.780 1.00 0.00 H new ATOM 0 HA SER A 68 -2.271 13.352 15.827 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.791 14.586 18.192 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.126 15.328 17.333 1.00 0.00 H new ATOM 0 HG SER A 68 -2.821 14.226 19.251 1.00 0.00 H new ATOM 1099 N GLY A 69 -0.750 14.442 14.217 1.00 0.00 N ATOM 1100 CA GLY A 69 0.087 15.167 13.279 1.00 0.00 C ATOM 1101 C GLY A 69 1.074 14.265 12.565 1.00 0.00 C ATOM 1102 O GLY A 69 1.573 13.289 13.125 1.00 0.00 O ATOM 0 H GLY A 69 -1.597 14.041 13.814 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -0.544 15.664 12.543 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.632 15.947 13.811 1.00 0.00 H new ATOM 1106 N PRO A 70 1.367 14.589 11.297 1.00 0.00 N ATOM 1107 CA PRO A 70 2.302 13.812 10.478 1.00 0.00 C ATOM 1108 C PRO A 70 3.745 13.955 10.951 1.00 0.00 C ATOM 1109 O PRO A 70 4.652 13.323 10.409 1.00 0.00 O ATOM 1110 CB PRO A 70 2.136 14.415 9.081 1.00 0.00 C ATOM 1111 CG PRO A 70 1.654 15.804 9.323 1.00 0.00 C ATOM 1112 CD PRO A 70 0.809 15.738 10.565 1.00 0.00 C ATOM 0 HA PRO A 70 2.092 12.743 10.524 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.079 14.413 8.534 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.421 13.846 8.486 1.00 0.00 H new ATOM 0 HG2 PRO A 70 2.491 16.490 9.456 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.074 16.169 8.475 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.878 16.657 11.147 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -0.244 15.590 10.327 1.00 0.00 H new ATOM 1120 N SER A 71 3.950 14.789 11.965 1.00 0.00 N ATOM 1121 CA SER A 71 5.283 15.017 12.510 1.00 0.00 C ATOM 1122 C SER A 71 5.609 13.997 13.596 1.00 0.00 C ATOM 1123 O SER A 71 4.717 13.340 14.134 1.00 0.00 O ATOM 1124 CB SER A 71 5.390 16.434 13.077 1.00 0.00 C ATOM 1125 OG SER A 71 5.529 17.390 12.040 1.00 0.00 O ATOM 0 H SER A 71 3.210 15.318 12.426 1.00 0.00 H new ATOM 0 HA SER A 71 6.003 14.902 11.700 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.502 16.660 13.668 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.245 16.496 13.750 1.00 0.00 H new ATOM 0 HG SER A 71 5.594 18.287 12.429 1.00 0.00 H new ATOM 1131 N SER A 72 6.893 13.869 13.913 1.00 0.00 N ATOM 1132 CA SER A 72 7.339 12.925 14.932 1.00 0.00 C ATOM 1133 C SER A 72 7.723 13.654 16.216 1.00 0.00 C ATOM 1134 O SER A 72 7.760 13.061 17.293 1.00 0.00 O ATOM 1135 CB SER A 72 8.528 12.112 14.419 1.00 0.00 C ATOM 1136 OG SER A 72 9.557 12.960 13.938 1.00 0.00 O ATOM 0 H SER A 72 7.643 14.407 13.479 1.00 0.00 H new ATOM 0 HA SER A 72 6.513 12.248 15.151 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.916 11.483 15.221 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.200 11.445 13.622 1.00 0.00 H new ATOM 0 HG SER A 72 10.306 12.416 13.617 1.00 0.00 H new ATOM 1142 N GLY A 73 8.008 14.947 16.093 1.00 0.00 N ATOM 1143 CA GLY A 73 8.386 15.737 17.250 1.00 0.00 C ATOM 1144 C GLY A 73 7.196 16.110 18.112 1.00 0.00 C ATOM 1145 O GLY A 73 7.007 17.278 18.450 1.00 0.00 O ATOM 0 H GLY A 73 7.984 15.461 15.212 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.104 15.177 17.850 1.00 0.00 H new ATOM 0 HA3 GLY A 73 8.889 16.645 16.917 1.00 0.00 H new TER 1149 GLY A 73