USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 721 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 21 SER OG : rot 149:sc= 0.169 USER MOD Set 1.2: A 38 LYS NZ :NH3+ 154:sc= 0.183 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -142:sc= -3.16! (180deg=-7.35!) USER MOD Single : A 14 ASN : amide:sc= -0.191 K(o=-0.19,f=-2.6!) USER MOD Single : A 16 ASN : amide:sc= -0.324 K(o=-0.32,f=-2.9!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -67:sc= -4.08 USER MOD Single : A 27 ASN : amide:sc= 0.357 K(o=0.36,f=-2.6!) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.234 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -3.51 K(o=-3.5,f=-5.4!) USER MOD Single : A 36 TYR OH : rot 130:sc= -0.838 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.367 X(o=-0.37,f=-0.86) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -5.8! C(o=-5.8!,f=-9.7!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc=-0.00384 USER MOD Single : A 71 HIS : no HE2:sc= -6.64! C(o=-6.6!,f=-5.2!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -2.12 K(o=-2.1,f=-3!) USER MOD Single : A 77 THR OG1 : rot -4:sc= -2.93! USER MOD Single : A 80 ASN : amide:sc= -1.32 K(o=-1.3,f=-2.1) USER MOD Single : A 81 THR OG1 : rot -89:sc= 0.493 USER MOD Single : A 83 GLN : amide:sc= -0.316 K(o=-0.32,f=-2.5!) USER MOD Single : A 86 HIS : no HD1:sc= -0.34 X(o=-0.34,f=-0.24) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= -1.08 K(o=-1.1,f=-2.6!) USER MOD Single : A 94 SER OG : rot 180:sc= -1.08 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -21.996 5.998 -5.013 1.00 15.00 N ATOM 2 CA PRO A 1 -20.706 5.557 -4.420 1.00 15.00 C ATOM 3 C PRO A 1 -20.875 4.309 -3.555 1.00 15.00 C ATOM 4 O PRO A 1 -21.759 4.248 -2.700 1.00 15.00 O ATOM 5 CB PRO A 1 -20.163 6.715 -3.585 1.00 15.00 C ATOM 6 CG PRO A 1 -21.251 7.735 -3.616 1.00 15.00 C ATOM 7 CD PRO A 1 -22.059 7.461 -4.862 1.00 15.00 C ATOM 0 H2 PRO A 1 -22.782 5.552 -4.540 1.00 15.00 H new ATOM 0 H3 PRO A 1 -22.050 5.734 -5.997 1.00 15.00 H new ATOM 0 HA PRO A 1 -20.011 5.292 -5.217 1.00 15.00 H new ATOM 0 HB2 PRO A 1 -19.942 6.400 -2.565 1.00 15.00 H new ATOM 0 HB3 PRO A 1 -19.237 7.108 -4.005 1.00 15.00 H new ATOM 0 HG2 PRO A 1 -21.875 7.664 -2.725 1.00 15.00 H new ATOM 0 HG3 PRO A 1 -20.837 8.743 -3.636 1.00 15.00 H new ATOM 0 HD2 PRO A 1 -23.087 7.807 -4.755 1.00 15.00 H new ATOM 0 HD3 PRO A 1 -21.640 7.970 -5.730 1.00 15.00 H new ATOM 17 N LYS A 2 -20.021 3.317 -3.786 1.00 15.00 N ATOM 18 CA LYS A 2 -20.072 2.070 -3.031 1.00 15.00 C ATOM 19 C LYS A 2 -18.667 1.513 -2.814 1.00 15.00 C ATOM 20 O LYS A 2 -18.097 0.883 -3.705 1.00 15.00 O ATOM 21 CB LYS A 2 -20.933 1.040 -3.766 1.00 15.00 C ATOM 22 CG LYS A 2 -22.213 1.618 -4.347 1.00 15.00 C ATOM 23 CD LYS A 2 -22.889 0.636 -5.291 1.00 15.00 C ATOM 24 CE LYS A 2 -23.455 1.340 -6.514 1.00 15.00 C ATOM 25 NZ LYS A 2 -24.648 0.636 -7.058 1.00 15.00 N ATOM 0 H LYS A 2 -19.285 3.353 -4.491 1.00 15.00 H new ATOM 0 HA LYS A 2 -20.518 2.278 -2.058 1.00 15.00 H new ATOM 0 HB2 LYS A 2 -20.346 0.597 -4.571 1.00 15.00 H new ATOM 0 HB3 LYS A 2 -21.188 0.235 -3.077 1.00 15.00 H new ATOM 0 HG2 LYS A 2 -22.897 1.877 -3.538 1.00 15.00 H new ATOM 0 HG3 LYS A 2 -21.987 2.541 -4.881 1.00 15.00 H new ATOM 0 HD2 LYS A 2 -22.171 -0.121 -5.605 1.00 15.00 H new ATOM 0 HD3 LYS A 2 -23.690 0.117 -4.765 1.00 15.00 H new ATOM 0 HE2 LYS A 2 -23.726 2.363 -6.251 1.00 15.00 H new ATOM 0 HE3 LYS A 2 -22.687 1.402 -7.285 1.00 15.00 H new ATOM 0 HZ1 LYS A 2 -25.003 1.148 -7.891 1.00 15.00 H new ATOM 0 HZ2 LYS A 2 -24.385 -0.332 -7.333 1.00 15.00 H new ATOM 0 HZ3 LYS A 2 -25.391 0.599 -6.331 1.00 15.00 H new ATOM 39 N PRO A 3 -18.082 1.740 -1.623 1.00 15.00 N ATOM 40 CA PRO A 3 -16.735 1.259 -1.304 1.00 15.00 C ATOM 41 C PRO A 3 -16.587 -0.243 -1.500 1.00 15.00 C ATOM 42 O PRO A 3 -17.442 -0.890 -2.105 1.00 15.00 O ATOM 43 CB PRO A 3 -16.559 1.615 0.170 1.00 15.00 C ATOM 44 CG PRO A 3 -17.514 2.733 0.413 1.00 15.00 C ATOM 45 CD PRO A 3 -18.682 2.486 -0.502 1.00 15.00 C ATOM 0 HA PRO A 3 -15.988 1.709 -1.958 1.00 15.00 H new ATOM 0 HB2 PRO A 3 -16.779 0.761 0.811 1.00 15.00 H new ATOM 0 HB3 PRO A 3 -15.534 1.918 0.383 1.00 15.00 H new ATOM 0 HG2 PRO A 3 -17.832 2.755 1.455 1.00 15.00 H new ATOM 0 HG3 PRO A 3 -17.049 3.696 0.202 1.00 15.00 H new ATOM 0 HD2 PRO A 3 -19.465 1.910 -0.009 1.00 15.00 H new ATOM 0 HD3 PRO A 3 -19.135 3.419 -0.836 1.00 15.00 H new ATOM 53 N GLY A 4 -15.487 -0.791 -0.991 1.00 15.00 N ATOM 54 CA GLY A 4 -15.234 -2.212 -1.127 1.00 15.00 C ATOM 55 C GLY A 4 -14.512 -2.540 -2.419 1.00 15.00 C ATOM 56 O GLY A 4 -13.872 -3.585 -2.536 1.00 15.00 O ATOM 0 H GLY A 4 -14.767 -0.274 -0.487 1.00 15.00 H new ATOM 0 HA2 GLY A 4 -14.639 -2.557 -0.282 1.00 15.00 H new ATOM 0 HA3 GLY A 4 -16.179 -2.753 -1.093 1.00 15.00 H new ATOM 60 N ASP A 5 -14.614 -1.637 -3.390 1.00 15.00 N ATOM 61 CA ASP A 5 -13.968 -1.821 -4.684 1.00 15.00 C ATOM 62 C ASP A 5 -12.466 -1.636 -4.577 1.00 15.00 C ATOM 63 O ASP A 5 -11.975 -0.789 -3.831 1.00 15.00 O ATOM 64 CB ASP A 5 -14.543 -0.843 -5.710 1.00 15.00 C ATOM 65 CG ASP A 5 -15.994 -1.135 -6.037 1.00 15.00 C ATOM 66 OD1 ASP A 5 -16.251 -2.088 -6.802 1.00 15.00 O ATOM 67 OD2 ASP A 5 -16.874 -0.410 -5.527 1.00 15.00 O ATOM 0 H ASP A 5 -15.140 -0.768 -3.304 1.00 15.00 H new ATOM 0 HA ASP A 5 -14.165 -2.841 -5.014 1.00 15.00 H new ATOM 0 HB2 ASP A 5 -14.457 0.174 -5.326 1.00 15.00 H new ATOM 0 HB3 ASP A 5 -13.951 -0.890 -6.624 1.00 15.00 H new ATOM 72 N ILE A 6 -11.749 -2.441 -5.339 1.00 15.00 N ATOM 73 CA ILE A 6 -10.300 -2.397 -5.364 1.00 15.00 C ATOM 74 C ILE A 6 -9.812 -1.178 -6.141 1.00 15.00 C ATOM 75 O ILE A 6 -10.449 -0.750 -7.105 1.00 15.00 O ATOM 76 CB ILE A 6 -9.748 -3.685 -6.009 1.00 15.00 C ATOM 77 CG1 ILE A 6 -9.247 -4.650 -4.934 1.00 15.00 C ATOM 78 CG2 ILE A 6 -8.635 -3.376 -7.008 1.00 15.00 C ATOM 79 CD1 ILE A 6 -10.339 -5.149 -4.013 1.00 15.00 C ATOM 0 H ILE A 6 -12.155 -3.143 -5.957 1.00 15.00 H new ATOM 0 HA ILE A 6 -9.938 -2.322 -4.339 1.00 15.00 H new ATOM 0 HB ILE A 6 -10.564 -4.159 -6.554 1.00 15.00 H new ATOM 0 HG12 ILE A 6 -8.772 -5.504 -5.417 1.00 15.00 H new ATOM 0 HG13 ILE A 6 -8.481 -4.153 -4.340 1.00 15.00 H new ATOM 0 HG21 ILE A 6 -8.269 -4.306 -7.444 1.00 15.00 H new ATOM 0 HG22 ILE A 6 -9.023 -2.733 -7.798 1.00 15.00 H new ATOM 0 HG23 ILE A 6 -7.817 -2.868 -6.496 1.00 15.00 H new ATOM 0 HD11 ILE A 6 -9.911 -5.829 -3.276 1.00 15.00 H new ATOM 0 HD12 ILE A 6 -10.799 -4.303 -3.502 1.00 15.00 H new ATOM 0 HD13 ILE A 6 -11.095 -5.675 -4.596 1.00 15.00 H new ATOM 91 N PHE A 7 -8.675 -0.633 -5.731 1.00 15.00 N ATOM 92 CA PHE A 7 -8.103 0.521 -6.408 1.00 15.00 C ATOM 93 C PHE A 7 -6.587 0.393 -6.494 1.00 15.00 C ATOM 94 O PHE A 7 -5.978 -0.373 -5.750 1.00 15.00 O ATOM 95 CB PHE A 7 -8.507 1.822 -5.700 1.00 15.00 C ATOM 96 CG PHE A 7 -7.647 2.186 -4.520 1.00 15.00 C ATOM 97 CD1 PHE A 7 -6.378 2.713 -4.705 1.00 15.00 C ATOM 98 CD2 PHE A 7 -8.111 2.008 -3.227 1.00 15.00 C ATOM 99 CE1 PHE A 7 -5.590 3.055 -3.624 1.00 15.00 C ATOM 100 CE2 PHE A 7 -7.328 2.350 -2.141 1.00 15.00 C ATOM 101 CZ PHE A 7 -6.065 2.874 -2.341 1.00 15.00 C ATOM 0 H PHE A 7 -8.133 -0.970 -4.936 1.00 15.00 H new ATOM 0 HA PHE A 7 -8.498 0.556 -7.423 1.00 15.00 H new ATOM 0 HB2 PHE A 7 -8.475 2.638 -6.422 1.00 15.00 H new ATOM 0 HB3 PHE A 7 -9.541 1.733 -5.366 1.00 15.00 H new ATOM 0 HD1 PHE A 7 -6.001 2.858 -5.707 1.00 15.00 H new ATOM 0 HD2 PHE A 7 -9.097 1.597 -3.066 1.00 15.00 H new ATOM 0 HE1 PHE A 7 -4.603 3.464 -3.782 1.00 15.00 H new ATOM 0 HE2 PHE A 7 -7.702 2.208 -1.138 1.00 15.00 H new ATOM 0 HZ PHE A 7 -5.450 3.142 -1.494 1.00 15.00 H new ATOM 111 N GLU A 8 -5.984 1.138 -7.413 1.00 15.00 N ATOM 112 CA GLU A 8 -4.540 1.093 -7.602 1.00 15.00 C ATOM 113 C GLU A 8 -3.924 2.485 -7.529 1.00 15.00 C ATOM 114 O GLU A 8 -4.516 3.469 -7.971 1.00 15.00 O ATOM 115 CB GLU A 8 -4.211 0.459 -8.950 1.00 15.00 C ATOM 116 CG GLU A 8 -4.985 1.066 -10.102 1.00 15.00 C ATOM 117 CD GLU A 8 -4.907 0.231 -11.366 1.00 15.00 C ATOM 118 OE1 GLU A 8 -4.978 -1.011 -11.262 1.00 15.00 O ATOM 119 OE2 GLU A 8 -4.777 0.820 -12.459 1.00 15.00 O ATOM 0 H GLU A 8 -6.472 1.779 -8.038 1.00 15.00 H new ATOM 0 HA GLU A 8 -4.117 0.491 -6.798 1.00 15.00 H new ATOM 0 HB2 GLU A 8 -3.143 0.565 -9.143 1.00 15.00 H new ATOM 0 HB3 GLU A 8 -4.422 -0.609 -8.902 1.00 15.00 H new ATOM 0 HG2 GLU A 8 -6.029 1.181 -9.812 1.00 15.00 H new ATOM 0 HG3 GLU A 8 -4.599 2.065 -10.307 1.00 15.00 H new ATOM 126 N VAL A 9 -2.721 2.544 -6.979 1.00 15.00 N ATOM 127 CA VAL A 9 -1.984 3.793 -6.848 1.00 15.00 C ATOM 128 C VAL A 9 -0.927 3.882 -7.938 1.00 15.00 C ATOM 129 O VAL A 9 0.003 3.079 -7.980 1.00 15.00 O ATOM 130 CB VAL A 9 -1.327 3.937 -5.443 1.00 15.00 C ATOM 131 CG1 VAL A 9 -1.505 2.666 -4.626 1.00 15.00 C ATOM 132 CG2 VAL A 9 0.154 4.293 -5.537 1.00 15.00 C ATOM 0 H VAL A 9 -2.228 1.730 -6.611 1.00 15.00 H new ATOM 0 HA VAL A 9 -2.693 4.614 -6.959 1.00 15.00 H new ATOM 0 HB VAL A 9 -1.837 4.758 -4.939 1.00 15.00 H new ATOM 0 HG11 VAL A 9 -1.037 2.793 -3.650 1.00 15.00 H new ATOM 0 HG12 VAL A 9 -2.568 2.463 -4.496 1.00 15.00 H new ATOM 0 HG13 VAL A 9 -1.037 1.830 -5.147 1.00 15.00 H new ATOM 0 HG21 VAL A 9 0.571 4.383 -4.534 1.00 15.00 H new ATOM 0 HG22 VAL A 9 0.683 3.510 -6.081 1.00 15.00 H new ATOM 0 HG23 VAL A 9 0.268 5.240 -6.064 1.00 15.00 H new ATOM 142 N GLU A 10 -1.086 4.851 -8.826 1.00 15.00 N ATOM 143 CA GLU A 10 -0.152 5.031 -9.924 1.00 15.00 C ATOM 144 C GLU A 10 0.749 6.240 -9.703 1.00 15.00 C ATOM 145 O GLU A 10 0.644 7.245 -10.407 1.00 15.00 O ATOM 146 CB GLU A 10 -0.922 5.167 -11.231 1.00 15.00 C ATOM 147 CG GLU A 10 -0.040 5.441 -12.440 1.00 15.00 C ATOM 148 CD GLU A 10 -0.577 4.807 -13.709 1.00 15.00 C ATOM 149 OE1 GLU A 10 -1.630 5.265 -14.201 1.00 15.00 O ATOM 150 OE2 GLU A 10 0.055 3.854 -14.209 1.00 15.00 O ATOM 0 H GLU A 10 -1.852 5.524 -8.807 1.00 15.00 H new ATOM 0 HA GLU A 10 0.493 4.153 -9.973 1.00 15.00 H new ATOM 0 HB2 GLU A 10 -1.487 4.251 -11.406 1.00 15.00 H new ATOM 0 HB3 GLU A 10 -1.647 5.975 -11.132 1.00 15.00 H new ATOM 0 HG2 GLU A 10 0.047 6.518 -12.585 1.00 15.00 H new ATOM 0 HG3 GLU A 10 0.964 5.063 -12.246 1.00 15.00 H new ATOM 157 N LEU A 11 1.645 6.128 -8.731 1.00 15.00 N ATOM 158 CA LEU A 11 2.580 7.203 -8.425 1.00 15.00 C ATOM 159 C LEU A 11 3.835 7.063 -9.277 1.00 15.00 C ATOM 160 O LEU A 11 4.104 5.996 -9.823 1.00 15.00 O ATOM 161 CB LEU A 11 2.957 7.184 -6.942 1.00 15.00 C ATOM 162 CG LEU A 11 3.140 8.560 -6.295 1.00 15.00 C ATOM 163 CD1 LEU A 11 1.911 9.429 -6.519 1.00 15.00 C ATOM 164 CD2 LEU A 11 3.430 8.412 -4.808 1.00 15.00 C ATOM 0 H LEU A 11 1.744 5.302 -8.140 1.00 15.00 H new ATOM 0 HA LEU A 11 2.096 8.153 -8.651 1.00 15.00 H new ATOM 0 HB2 LEU A 11 2.185 6.643 -6.395 1.00 15.00 H new ATOM 0 HB3 LEU A 11 3.883 6.621 -6.827 1.00 15.00 H new ATOM 0 HG LEU A 11 3.992 9.051 -6.766 1.00 15.00 H new ATOM 0 HD11 LEU A 11 2.063 10.402 -6.051 1.00 15.00 H new ATOM 0 HD12 LEU A 11 1.750 9.562 -7.589 1.00 15.00 H new ATOM 0 HD13 LEU A 11 1.039 8.946 -6.078 1.00 15.00 H new ATOM 0 HD21 LEU A 11 3.558 9.398 -4.362 1.00 15.00 H new ATOM 0 HD22 LEU A 11 2.598 7.900 -4.324 1.00 15.00 H new ATOM 0 HD23 LEU A 11 4.342 7.831 -4.671 1.00 15.00 H new ATOM 176 N ALA A 12 4.597 8.139 -9.392 1.00 15.00 N ATOM 177 CA ALA A 12 5.823 8.118 -10.182 1.00 15.00 C ATOM 178 C ALA A 12 7.041 7.873 -9.299 1.00 15.00 C ATOM 179 O ALA A 12 7.531 8.787 -8.636 1.00 15.00 O ATOM 180 CB ALA A 12 5.980 9.416 -10.955 1.00 15.00 C ATOM 0 H ALA A 12 4.392 9.036 -8.951 1.00 15.00 H new ATOM 0 HA ALA A 12 5.751 7.295 -10.893 1.00 15.00 H new ATOM 0 HB1 ALA A 12 6.900 9.383 -11.539 1.00 15.00 H new ATOM 0 HB2 ALA A 12 5.130 9.546 -11.625 1.00 15.00 H new ATOM 0 HB3 ALA A 12 6.023 10.252 -10.257 1.00 15.00 H new ATOM 186 N LYS A 13 7.529 6.635 -9.294 1.00 15.00 N ATOM 187 CA LYS A 13 8.696 6.264 -8.493 1.00 15.00 C ATOM 188 C LYS A 13 9.977 6.968 -8.960 1.00 15.00 C ATOM 189 O LYS A 13 11.079 6.458 -8.762 1.00 15.00 O ATOM 190 CB LYS A 13 8.896 4.749 -8.523 1.00 15.00 C ATOM 191 CG LYS A 13 10.055 4.255 -7.663 1.00 15.00 C ATOM 192 CD LYS A 13 10.247 5.106 -6.413 1.00 15.00 C ATOM 193 CE LYS A 13 9.101 4.928 -5.430 1.00 15.00 C ATOM 194 NZ LYS A 13 8.349 6.196 -5.216 1.00 15.00 N ATOM 0 H LYS A 13 7.133 5.868 -9.838 1.00 15.00 H new ATOM 0 HA LYS A 13 8.499 6.591 -7.472 1.00 15.00 H new ATOM 0 HB2 LYS A 13 7.978 4.266 -8.188 1.00 15.00 H new ATOM 0 HB3 LYS A 13 9.064 4.436 -9.554 1.00 15.00 H new ATOM 0 HG2 LYS A 13 9.874 3.220 -7.372 1.00 15.00 H new ATOM 0 HG3 LYS A 13 10.972 4.265 -8.252 1.00 15.00 H new ATOM 0 HD2 LYS A 13 11.186 4.836 -5.930 1.00 15.00 H new ATOM 0 HD3 LYS A 13 10.324 6.156 -6.696 1.00 15.00 H new ATOM 0 HE2 LYS A 13 8.421 4.161 -5.801 1.00 15.00 H new ATOM 0 HE3 LYS A 13 9.493 4.573 -4.477 1.00 15.00 H new ATOM 0 HZ1 LYS A 13 8.072 6.271 -4.216 1.00 15.00 H new ATOM 0 HZ2 LYS A 13 8.952 7.004 -5.470 1.00 15.00 H new ATOM 0 HZ3 LYS A 13 7.497 6.199 -5.812 1.00 15.00 H new ATOM 208 N ASN A 14 9.833 8.134 -9.571 1.00 15.00 N ATOM 209 CA ASN A 14 10.980 8.894 -10.050 1.00 15.00 C ATOM 210 C ASN A 14 11.186 10.144 -9.201 1.00 15.00 C ATOM 211 O ASN A 14 10.237 10.674 -8.623 1.00 15.00 O ATOM 212 CB ASN A 14 10.785 9.283 -11.516 1.00 15.00 C ATOM 213 CG ASN A 14 11.976 10.036 -12.078 1.00 15.00 C ATOM 214 OD1 ASN A 14 13.118 9.793 -11.691 1.00 15.00 O ATOM 215 ND2 ASN A 14 11.712 10.957 -12.998 1.00 15.00 N ATOM 0 H ASN A 14 8.931 8.576 -9.748 1.00 15.00 H new ATOM 0 HA ASN A 14 11.867 8.266 -9.967 1.00 15.00 H new ATOM 0 HB2 ASN A 14 10.615 8.384 -12.108 1.00 15.00 H new ATOM 0 HB3 ASN A 14 9.891 9.900 -11.610 1.00 15.00 H new ATOM 0 HD21 ASN A 14 12.472 11.496 -13.413 1.00 15.00 H new ATOM 0 HD22 ASN A 14 10.749 11.125 -13.289 1.00 15.00 H new ATOM 222 N ASP A 15 12.432 10.609 -9.127 1.00 15.00 N ATOM 223 CA ASP A 15 12.775 11.800 -8.346 1.00 15.00 C ATOM 224 C ASP A 15 12.918 11.467 -6.862 1.00 15.00 C ATOM 225 O ASP A 15 13.905 11.841 -6.228 1.00 15.00 O ATOM 226 CB ASP A 15 11.723 12.898 -8.536 1.00 15.00 C ATOM 227 CG ASP A 15 12.257 14.275 -8.194 1.00 15.00 C ATOM 228 OD1 ASP A 15 12.877 14.908 -9.075 1.00 15.00 O ATOM 229 OD2 ASP A 15 12.056 14.721 -7.045 1.00 15.00 O ATOM 0 H ASP A 15 13.226 10.178 -9.601 1.00 15.00 H new ATOM 0 HA ASP A 15 13.735 12.165 -8.711 1.00 15.00 H new ATOM 0 HB2 ASP A 15 11.378 12.892 -9.570 1.00 15.00 H new ATOM 0 HB3 ASP A 15 10.858 12.681 -7.910 1.00 15.00 H new ATOM 234 N ASN A 16 11.932 10.765 -6.310 1.00 15.00 N ATOM 235 CA ASN A 16 11.958 10.390 -4.901 1.00 15.00 C ATOM 236 C ASN A 16 11.116 9.143 -4.652 1.00 15.00 C ATOM 237 O ASN A 16 10.276 8.774 -5.473 1.00 15.00 O ATOM 238 CB ASN A 16 11.448 11.546 -4.035 1.00 15.00 C ATOM 239 CG ASN A 16 12.331 11.800 -2.829 1.00 15.00 C ATOM 240 OD1 ASN A 16 13.433 11.261 -2.727 1.00 15.00 O ATOM 241 ND2 ASN A 16 11.849 12.625 -1.906 1.00 15.00 N ATOM 0 H ASN A 16 11.107 10.445 -6.817 1.00 15.00 H new ATOM 0 HA ASN A 16 12.990 10.168 -4.629 1.00 15.00 H new ATOM 0 HB2 ASN A 16 11.394 12.452 -4.639 1.00 15.00 H new ATOM 0 HB3 ASN A 16 10.435 11.325 -3.700 1.00 15.00 H new ATOM 0 HD21 ASN A 16 12.398 12.834 -1.072 1.00 15.00 H new ATOM 0 HD22 ASN A 16 10.930 13.050 -2.031 1.00 15.00 H new ATOM 248 N SER A 17 11.347 8.497 -3.513 1.00 15.00 N ATOM 249 CA SER A 17 10.610 7.291 -3.153 1.00 15.00 C ATOM 250 C SER A 17 9.305 7.641 -2.455 1.00 15.00 C ATOM 251 O SER A 17 8.866 8.790 -2.476 1.00 15.00 O ATOM 252 CB SER A 17 11.452 6.407 -2.234 1.00 15.00 C ATOM 253 OG SER A 17 11.919 5.256 -2.915 1.00 15.00 O ATOM 0 H SER A 17 12.039 8.789 -2.823 1.00 15.00 H new ATOM 0 HA SER A 17 10.386 6.750 -4.072 1.00 15.00 H new ATOM 0 HB2 SER A 17 12.300 6.977 -1.854 1.00 15.00 H new ATOM 0 HB3 SER A 17 10.858 6.106 -1.371 1.00 15.00 H new ATOM 0 HG SER A 17 12.456 4.710 -2.304 1.00 15.00 H new ATOM 259 N LEU A 18 8.690 6.642 -1.828 1.00 15.00 N ATOM 260 CA LEU A 18 7.442 6.853 -1.121 1.00 15.00 C ATOM 261 C LEU A 18 7.677 7.639 0.166 1.00 15.00 C ATOM 262 O LEU A 18 8.754 8.195 0.379 1.00 15.00 O ATOM 263 CB LEU A 18 6.759 5.513 -0.807 1.00 15.00 C ATOM 264 CG LEU A 18 6.285 4.712 -2.024 1.00 15.00 C ATOM 265 CD1 LEU A 18 5.589 5.617 -3.029 1.00 15.00 C ATOM 266 CD2 LEU A 18 7.454 3.987 -2.674 1.00 15.00 C ATOM 0 H LEU A 18 9.038 5.684 -1.798 1.00 15.00 H new ATOM 0 HA LEU A 18 6.784 7.433 -1.767 1.00 15.00 H new ATOM 0 HB2 LEU A 18 7.453 4.896 -0.236 1.00 15.00 H new ATOM 0 HB3 LEU A 18 5.900 5.705 -0.164 1.00 15.00 H new ATOM 0 HG LEU A 18 5.565 3.968 -1.683 1.00 15.00 H new ATOM 0 HD11 LEU A 18 5.261 5.026 -3.884 1.00 15.00 H new ATOM 0 HD12 LEU A 18 4.724 6.086 -2.559 1.00 15.00 H new ATOM 0 HD13 LEU A 18 6.282 6.388 -3.365 1.00 15.00 H new ATOM 0 HD21 LEU A 18 7.098 3.423 -3.537 1.00 15.00 H new ATOM 0 HD22 LEU A 18 8.199 4.714 -2.998 1.00 15.00 H new ATOM 0 HD23 LEU A 18 7.904 3.303 -1.954 1.00 15.00 H new ATOM 278 N GLY A 19 6.660 7.677 1.017 1.00 15.00 N ATOM 279 CA GLY A 19 6.756 8.390 2.275 1.00 15.00 C ATOM 280 C GLY A 19 5.706 7.925 3.249 1.00 15.00 C ATOM 281 O GLY A 19 5.155 8.716 4.011 1.00 15.00 O ATOM 0 H GLY A 19 5.762 7.222 0.855 1.00 15.00 H new ATOM 0 HA2 GLY A 19 7.746 8.240 2.706 1.00 15.00 H new ATOM 0 HA3 GLY A 19 6.643 9.460 2.099 1.00 15.00 H new ATOM 285 N ILE A 20 5.413 6.636 3.200 1.00 15.00 N ATOM 286 CA ILE A 20 4.409 6.047 4.065 1.00 15.00 C ATOM 287 C ILE A 20 5.022 5.087 5.078 1.00 15.00 C ATOM 288 O ILE A 20 5.903 4.293 4.747 1.00 15.00 O ATOM 289 CB ILE A 20 3.341 5.307 3.230 1.00 15.00 C ATOM 290 CG1 ILE A 20 1.954 5.835 3.579 1.00 15.00 C ATOM 291 CG2 ILE A 20 3.416 3.807 3.457 1.00 15.00 C ATOM 292 CD1 ILE A 20 0.840 4.833 3.394 1.00 15.00 C ATOM 0 H ILE A 20 5.861 5.975 2.565 1.00 15.00 H new ATOM 0 HA ILE A 20 3.941 6.864 4.614 1.00 15.00 H new ATOM 0 HB ILE A 20 3.535 5.493 2.174 1.00 15.00 H new ATOM 0 HG12 ILE A 20 1.956 6.170 4.616 1.00 15.00 H new ATOM 0 HG13 ILE A 20 1.746 6.709 2.962 1.00 15.00 H new ATOM 0 HG21 ILE A 20 2.653 3.310 2.858 1.00 15.00 H new ATOM 0 HG22 ILE A 20 4.401 3.444 3.165 1.00 15.00 H new ATOM 0 HG23 ILE A 20 3.247 3.590 4.512 1.00 15.00 H new ATOM 0 HD11 ILE A 20 -0.111 5.292 3.665 1.00 15.00 H new ATOM 0 HD12 ILE A 20 0.806 4.515 2.352 1.00 15.00 H new ATOM 0 HD13 ILE A 20 1.020 3.967 4.031 1.00 15.00 H new ATOM 304 N SER A 21 4.509 5.133 6.298 1.00 15.00 N ATOM 305 CA SER A 21 4.957 4.234 7.347 1.00 15.00 C ATOM 306 C SER A 21 3.993 3.056 7.390 1.00 15.00 C ATOM 307 O SER A 21 2.847 3.198 7.815 1.00 15.00 O ATOM 308 CB SER A 21 5.008 4.957 8.697 1.00 15.00 C ATOM 309 OG SER A 21 5.340 4.062 9.744 1.00 15.00 O ATOM 0 H SER A 21 3.780 5.786 6.585 1.00 15.00 H new ATOM 0 HA SER A 21 5.967 3.881 7.139 1.00 15.00 H new ATOM 0 HB2 SER A 21 5.743 5.761 8.655 1.00 15.00 H new ATOM 0 HB3 SER A 21 4.042 5.419 8.902 1.00 15.00 H new ATOM 0 HG SER A 21 5.836 4.542 10.440 1.00 15.00 H new ATOM 315 N VAL A 22 4.440 1.908 6.892 1.00 15.00 N ATOM 316 CA VAL A 22 3.583 0.731 6.819 1.00 15.00 C ATOM 317 C VAL A 22 3.723 -0.181 8.027 1.00 15.00 C ATOM 318 O VAL A 22 4.765 -0.223 8.682 1.00 15.00 O ATOM 319 CB VAL A 22 3.877 -0.081 5.545 1.00 15.00 C ATOM 320 CG1 VAL A 22 3.630 0.760 4.302 1.00 15.00 C ATOM 321 CG2 VAL A 22 5.305 -0.600 5.562 1.00 15.00 C ATOM 0 H VAL A 22 5.385 1.768 6.535 1.00 15.00 H new ATOM 0 HA VAL A 22 2.560 1.107 6.799 1.00 15.00 H new ATOM 0 HB VAL A 22 3.200 -0.935 5.520 1.00 15.00 H new ATOM 0 HG11 VAL A 22 3.844 0.167 3.413 1.00 15.00 H new ATOM 0 HG12 VAL A 22 2.589 1.082 4.282 1.00 15.00 H new ATOM 0 HG13 VAL A 22 4.280 1.635 4.319 1.00 15.00 H new ATOM 0 HG21 VAL A 22 5.495 -1.172 4.654 1.00 15.00 H new ATOM 0 HG22 VAL A 22 5.997 0.241 5.613 1.00 15.00 H new ATOM 0 HG23 VAL A 22 5.449 -1.242 6.431 1.00 15.00 H new ATOM 331 N THR A 23 2.647 -0.908 8.310 1.00 15.00 N ATOM 332 CA THR A 23 2.608 -1.828 9.435 1.00 15.00 C ATOM 333 C THR A 23 1.684 -3.012 9.138 1.00 15.00 C ATOM 334 O THR A 23 1.106 -3.107 8.051 1.00 15.00 O ATOM 335 CB THR A 23 2.143 -1.086 10.688 1.00 15.00 C ATOM 336 OG1 THR A 23 2.243 0.314 10.502 1.00 15.00 O ATOM 337 CG2 THR A 23 2.941 -1.435 11.921 1.00 15.00 C ATOM 0 H THR A 23 1.784 -0.875 7.768 1.00 15.00 H new ATOM 0 HA THR A 23 3.611 -2.221 9.604 1.00 15.00 H new ATOM 0 HB THR A 23 1.110 -1.397 10.842 1.00 15.00 H new ATOM 0 HG1 THR A 23 3.187 0.568 10.431 1.00 15.00 H new ATOM 0 HG21 THR A 23 2.558 -0.873 12.773 1.00 15.00 H new ATOM 0 HG22 THR A 23 2.853 -2.503 12.121 1.00 15.00 H new ATOM 0 HG23 THR A 23 3.989 -1.181 11.760 1.00 15.00 H new ATOM 345 N GLY A 24 1.549 -3.912 10.110 1.00 15.00 N ATOM 346 CA GLY A 24 0.696 -5.076 9.932 1.00 15.00 C ATOM 347 C GLY A 24 1.284 -6.077 8.957 1.00 15.00 C ATOM 348 O GLY A 24 2.374 -6.600 9.180 1.00 15.00 O ATOM 0 H GLY A 24 2.014 -3.856 11.016 1.00 15.00 H new ATOM 0 HA2 GLY A 24 0.540 -5.560 10.896 1.00 15.00 H new ATOM 0 HA3 GLY A 24 -0.282 -4.755 9.574 1.00 15.00 H new ATOM 352 N GLY A 25 0.566 -6.336 7.869 1.00 15.00 N ATOM 353 CA GLY A 25 1.047 -7.269 6.866 1.00 15.00 C ATOM 354 C GLY A 25 1.079 -8.708 7.346 1.00 15.00 C ATOM 355 O GLY A 25 0.342 -9.550 6.835 1.00 15.00 O ATOM 0 H GLY A 25 -0.341 -5.916 7.664 1.00 15.00 H new ATOM 0 HA2 GLY A 25 0.410 -7.202 5.984 1.00 15.00 H new ATOM 0 HA3 GLY A 25 2.050 -6.974 6.558 1.00 15.00 H new ATOM 359 N VAL A 26 1.950 -8.987 8.318 1.00 15.00 N ATOM 360 CA VAL A 26 2.111 -10.336 8.879 1.00 15.00 C ATOM 361 C VAL A 26 0.846 -11.179 8.745 1.00 15.00 C ATOM 362 O VAL A 26 -0.265 -10.691 8.952 1.00 15.00 O ATOM 363 CB VAL A 26 2.511 -10.281 10.365 1.00 15.00 C ATOM 364 CG1 VAL A 26 4.013 -10.093 10.510 1.00 15.00 C ATOM 365 CG2 VAL A 26 1.756 -9.171 11.076 1.00 15.00 C ATOM 0 H VAL A 26 2.563 -8.289 8.739 1.00 15.00 H new ATOM 0 HA VAL A 26 2.905 -10.806 8.299 1.00 15.00 H new ATOM 0 HB VAL A 26 2.243 -11.230 10.830 1.00 15.00 H new ATOM 0 HG11 VAL A 26 4.275 -10.057 11.567 1.00 15.00 H new ATOM 0 HG12 VAL A 26 4.531 -10.927 10.036 1.00 15.00 H new ATOM 0 HG13 VAL A 26 4.311 -9.161 10.030 1.00 15.00 H new ATOM 0 HG21 VAL A 26 2.050 -9.145 12.125 1.00 15.00 H new ATOM 0 HG22 VAL A 26 1.991 -8.214 10.610 1.00 15.00 H new ATOM 0 HG23 VAL A 26 0.684 -9.356 11.004 1.00 15.00 H new ATOM 375 N ASN A 27 1.027 -12.449 8.396 1.00 15.00 N ATOM 376 CA ASN A 27 -0.092 -13.368 8.230 1.00 15.00 C ATOM 377 C ASN A 27 -0.630 -13.829 9.583 1.00 15.00 C ATOM 378 O ASN A 27 -0.676 -15.026 9.870 1.00 15.00 O ATOM 379 CB ASN A 27 0.340 -14.580 7.402 1.00 15.00 C ATOM 380 CG ASN A 27 1.603 -15.226 7.938 1.00 15.00 C ATOM 381 OD1 ASN A 27 2.692 -14.661 7.841 1.00 15.00 O ATOM 382 ND2 ASN A 27 1.463 -16.417 8.508 1.00 15.00 N ATOM 0 H ASN A 27 1.942 -12.866 8.222 1.00 15.00 H new ATOM 0 HA ASN A 27 -0.888 -12.839 7.707 1.00 15.00 H new ATOM 0 HB2 ASN A 27 -0.465 -15.315 7.392 1.00 15.00 H new ATOM 0 HB3 ASN A 27 0.503 -14.272 6.369 1.00 15.00 H new ATOM 0 HD21 ASN A 27 2.278 -16.900 8.887 1.00 15.00 H new ATOM 0 HD22 ASN A 27 0.541 -16.849 8.567 1.00 15.00 H new ATOM 389 N THR A 28 -1.036 -12.873 10.413 1.00 15.00 N ATOM 390 CA THR A 28 -1.570 -13.185 11.733 1.00 15.00 C ATOM 391 C THR A 28 -2.556 -12.114 12.188 1.00 15.00 C ATOM 392 O THR A 28 -3.681 -12.419 12.584 1.00 15.00 O ATOM 393 CB THR A 28 -0.432 -13.312 12.748 1.00 15.00 C ATOM 394 OG1 THR A 28 0.728 -13.847 12.136 1.00 15.00 O ATOM 395 CG2 THR A 28 -0.778 -14.196 13.927 1.00 15.00 C ATOM 0 H THR A 28 -1.005 -11.877 10.195 1.00 15.00 H new ATOM 0 HA THR A 28 -2.099 -14.136 11.669 1.00 15.00 H new ATOM 0 HB THR A 28 -0.255 -12.300 13.112 1.00 15.00 H new ATOM 0 HG1 THR A 28 1.445 -13.919 12.800 1.00 15.00 H new ATOM 0 HG21 THR A 28 0.072 -14.243 14.608 1.00 15.00 H new ATOM 0 HG22 THR A 28 -1.640 -13.783 14.451 1.00 15.00 H new ATOM 0 HG23 THR A 28 -1.015 -15.199 13.572 1.00 15.00 H new ATOM 403 N SER A 29 -2.124 -10.858 12.129 1.00 15.00 N ATOM 404 CA SER A 29 -2.966 -9.740 12.536 1.00 15.00 C ATOM 405 C SER A 29 -3.945 -9.364 11.429 1.00 15.00 C ATOM 406 O SER A 29 -5.113 -9.075 11.692 1.00 15.00 O ATOM 407 CB SER A 29 -2.102 -8.531 12.899 1.00 15.00 C ATOM 408 OG SER A 29 -1.566 -8.660 14.204 1.00 15.00 O ATOM 0 H SER A 29 -1.195 -10.590 11.803 1.00 15.00 H new ATOM 0 HA SER A 29 -3.537 -10.048 13.412 1.00 15.00 H new ATOM 0 HB2 SER A 29 -1.291 -8.430 12.178 1.00 15.00 H new ATOM 0 HB3 SER A 29 -2.699 -7.621 12.836 1.00 15.00 H new ATOM 0 HG SER A 29 -1.016 -7.875 14.411 1.00 15.00 H new ATOM 414 N VAL A 30 -3.463 -9.368 10.191 1.00 15.00 N ATOM 415 CA VAL A 30 -4.297 -9.026 9.046 1.00 15.00 C ATOM 416 C VAL A 30 -5.182 -10.202 8.640 1.00 15.00 C ATOM 417 O VAL A 30 -5.275 -11.198 9.357 1.00 15.00 O ATOM 418 CB VAL A 30 -3.443 -8.585 7.840 1.00 15.00 C ATOM 419 CG1 VAL A 30 -2.494 -7.465 8.241 1.00 15.00 C ATOM 420 CG2 VAL A 30 -2.671 -9.763 7.263 1.00 15.00 C ATOM 0 H VAL A 30 -2.499 -9.604 9.955 1.00 15.00 H new ATOM 0 HA VAL A 30 -4.930 -8.193 9.350 1.00 15.00 H new ATOM 0 HB VAL A 30 -4.113 -8.209 7.067 1.00 15.00 H new ATOM 0 HG11 VAL A 30 -1.899 -7.166 7.378 1.00 15.00 H new ATOM 0 HG12 VAL A 30 -3.069 -6.611 8.599 1.00 15.00 H new ATOM 0 HG13 VAL A 30 -1.833 -7.815 9.034 1.00 15.00 H new ATOM 0 HG21 VAL A 30 -2.076 -9.427 6.414 1.00 15.00 H new ATOM 0 HG22 VAL A 30 -2.012 -10.176 8.027 1.00 15.00 H new ATOM 0 HG23 VAL A 30 -3.371 -10.531 6.935 1.00 15.00 H new ATOM 430 N ARG A 31 -5.832 -10.079 7.487 1.00 15.00 N ATOM 431 CA ARG A 31 -6.711 -11.130 6.989 1.00 15.00 C ATOM 432 C ARG A 31 -5.942 -12.431 6.772 1.00 15.00 C ATOM 433 O ARG A 31 -6.223 -13.442 7.415 1.00 15.00 O ATOM 434 CB ARG A 31 -7.374 -10.693 5.681 1.00 15.00 C ATOM 435 CG ARG A 31 -8.832 -11.112 5.570 1.00 15.00 C ATOM 436 CD ARG A 31 -8.969 -12.617 5.397 1.00 15.00 C ATOM 437 NE ARG A 31 -9.870 -13.202 6.388 1.00 15.00 N ATOM 438 CZ ARG A 31 -11.196 -13.135 6.313 1.00 15.00 C ATOM 439 NH1 ARG A 31 -11.780 -12.513 5.296 1.00 15.00 N ATOM 440 NH2 ARG A 31 -11.942 -13.692 7.257 1.00 15.00 N ATOM 0 H ARG A 31 -5.766 -9.262 6.880 1.00 15.00 H new ATOM 0 HA ARG A 31 -7.482 -11.307 7.739 1.00 15.00 H new ATOM 0 HB2 ARG A 31 -7.308 -9.608 5.594 1.00 15.00 H new ATOM 0 HB3 ARG A 31 -6.818 -11.114 4.843 1.00 15.00 H new ATOM 0 HG2 ARG A 31 -9.371 -10.797 6.464 1.00 15.00 H new ATOM 0 HG3 ARG A 31 -9.294 -10.604 4.723 1.00 15.00 H new ATOM 0 HD2 ARG A 31 -9.341 -12.835 4.396 1.00 15.00 H new ATOM 0 HD3 ARG A 31 -7.987 -13.082 5.480 1.00 15.00 H new ATOM 0 HE ARG A 31 -9.458 -13.690 7.183 1.00 15.00 H new ATOM 0 HH11 ARG A 31 -11.211 -12.083 4.567 1.00 15.00 H new ATOM 0 HH12 ARG A 31 -12.798 -12.465 5.244 1.00 15.00 H new ATOM 0 HH21 ARG A 31 -11.499 -14.172 8.040 1.00 15.00 H new ATOM 0 HH22 ARG A 31 -12.959 -13.641 7.200 1.00 15.00 H new ATOM 454 N HIS A 32 -4.975 -12.400 5.860 1.00 15.00 N ATOM 455 CA HIS A 32 -4.173 -13.581 5.559 1.00 15.00 C ATOM 456 C HIS A 32 -2.703 -13.218 5.370 1.00 15.00 C ATOM 457 O HIS A 32 -1.824 -13.819 5.984 1.00 15.00 O ATOM 458 CB HIS A 32 -4.704 -14.276 4.303 1.00 15.00 C ATOM 459 CG HIS A 32 -5.065 -13.329 3.201 1.00 15.00 C ATOM 460 ND1 HIS A 32 -6.297 -12.715 3.109 1.00 15.00 N ATOM 461 CD2 HIS A 32 -4.348 -12.889 2.140 1.00 15.00 C ATOM 462 CE1 HIS A 32 -6.322 -11.940 2.039 1.00 15.00 C ATOM 463 NE2 HIS A 32 -5.152 -12.028 1.434 1.00 15.00 N ATOM 0 H HIS A 32 -4.728 -11.572 5.318 1.00 15.00 H new ATOM 0 HA HIS A 32 -4.250 -14.262 6.407 1.00 15.00 H new ATOM 0 HB2 HIS A 32 -3.951 -14.974 3.938 1.00 15.00 H new ATOM 0 HB3 HIS A 32 -5.583 -14.864 4.567 1.00 15.00 H new ATOM 0 HD2 HIS A 32 -3.333 -13.164 1.895 1.00 15.00 H new ATOM 0 HE1 HIS A 32 -7.157 -11.337 1.715 1.00 15.00 H new ATOM 0 HE2 HIS A 32 -4.888 -11.536 0.580 1.00 15.00 H new ATOM 472 N GLY A 33 -2.443 -12.235 4.515 1.00 15.00 N ATOM 473 CA GLY A 33 -1.076 -11.813 4.260 1.00 15.00 C ATOM 474 C GLY A 33 -1.002 -10.510 3.485 1.00 15.00 C ATOM 475 O GLY A 33 -0.006 -10.232 2.820 1.00 15.00 O ATOM 0 H GLY A 33 -3.154 -11.722 3.993 1.00 15.00 H new ATOM 0 HA2 GLY A 33 -0.552 -11.697 5.209 1.00 15.00 H new ATOM 0 HA3 GLY A 33 -0.557 -12.593 3.703 1.00 15.00 H new ATOM 479 N GLY A 34 -2.052 -9.701 3.587 1.00 15.00 N ATOM 480 CA GLY A 34 -2.068 -8.422 2.904 1.00 15.00 C ATOM 481 C GLY A 34 -1.524 -7.332 3.799 1.00 15.00 C ATOM 482 O GLY A 34 -1.579 -7.458 5.023 1.00 15.00 O ATOM 0 H GLY A 34 -2.890 -9.909 4.130 1.00 15.00 H new ATOM 0 HA2 GLY A 34 -1.472 -8.483 1.993 1.00 15.00 H new ATOM 0 HA3 GLY A 34 -3.087 -8.178 2.603 1.00 15.00 H new ATOM 486 N ILE A 35 -0.985 -6.268 3.217 1.00 15.00 N ATOM 487 CA ILE A 35 -0.431 -5.195 4.032 1.00 15.00 C ATOM 488 C ILE A 35 -1.451 -4.108 4.306 1.00 15.00 C ATOM 489 O ILE A 35 -2.388 -3.898 3.537 1.00 15.00 O ATOM 490 CB ILE A 35 0.831 -4.566 3.400 1.00 15.00 C ATOM 491 CG1 ILE A 35 1.933 -4.438 4.462 1.00 15.00 C ATOM 492 CG2 ILE A 35 0.519 -3.213 2.762 1.00 15.00 C ATOM 493 CD1 ILE A 35 2.083 -3.050 5.052 1.00 15.00 C ATOM 0 H ILE A 35 -0.920 -6.126 2.209 1.00 15.00 H new ATOM 0 HA ILE A 35 -0.147 -5.660 4.976 1.00 15.00 H new ATOM 0 HB ILE A 35 1.185 -5.221 2.604 1.00 15.00 H new ATOM 0 HG12 ILE A 35 1.725 -5.141 5.269 1.00 15.00 H new ATOM 0 HG13 ILE A 35 2.883 -4.734 4.018 1.00 15.00 H new ATOM 0 HG21 ILE A 35 1.428 -2.798 2.327 1.00 15.00 H new ATOM 0 HG22 ILE A 35 -0.231 -3.343 1.981 1.00 15.00 H new ATOM 0 HG23 ILE A 35 0.137 -2.532 3.522 1.00 15.00 H new ATOM 0 HD11 ILE A 35 2.883 -3.054 5.792 1.00 15.00 H new ATOM 0 HD12 ILE A 35 2.325 -2.342 4.259 1.00 15.00 H new ATOM 0 HD13 ILE A 35 1.149 -2.755 5.530 1.00 15.00 H new ATOM 505 N TYR A 36 -1.238 -3.405 5.405 1.00 15.00 N ATOM 506 CA TYR A 36 -2.109 -2.314 5.794 1.00 15.00 C ATOM 507 C TYR A 36 -1.279 -1.162 6.324 1.00 15.00 C ATOM 508 O TYR A 36 -0.737 -1.228 7.427 1.00 15.00 O ATOM 509 CB TYR A 36 -3.117 -2.771 6.847 1.00 15.00 C ATOM 510 CG TYR A 36 -4.110 -3.780 6.327 1.00 15.00 C ATOM 511 CD1 TYR A 36 -3.720 -5.082 6.046 1.00 15.00 C ATOM 512 CD2 TYR A 36 -5.437 -3.431 6.115 1.00 15.00 C ATOM 513 CE1 TYR A 36 -4.623 -6.009 5.567 1.00 15.00 C ATOM 514 CE2 TYR A 36 -6.348 -4.353 5.638 1.00 15.00 C ATOM 515 CZ TYR A 36 -5.936 -5.641 5.365 1.00 15.00 C ATOM 516 OH TYR A 36 -6.840 -6.562 4.888 1.00 15.00 O ATOM 0 H TYR A 36 -0.463 -3.574 6.046 1.00 15.00 H new ATOM 0 HA TYR A 36 -2.665 -1.982 4.917 1.00 15.00 H new ATOM 0 HB2 TYR A 36 -2.579 -3.203 7.691 1.00 15.00 H new ATOM 0 HB3 TYR A 36 -3.657 -1.902 7.224 1.00 15.00 H new ATOM 0 HD1 TYR A 36 -2.693 -5.375 6.205 1.00 15.00 H new ATOM 0 HD2 TYR A 36 -5.762 -2.423 6.326 1.00 15.00 H new ATOM 0 HE1 TYR A 36 -4.303 -7.018 5.351 1.00 15.00 H new ATOM 0 HE2 TYR A 36 -7.377 -4.067 5.480 1.00 15.00 H new ATOM 0 HH TYR A 36 -7.638 -6.562 5.456 1.00 15.00 H new ATOM 526 N VAL A 37 -1.165 -0.114 5.523 1.00 15.00 N ATOM 527 CA VAL A 37 -0.372 1.043 5.914 1.00 15.00 C ATOM 528 C VAL A 37 -0.832 1.603 7.254 1.00 15.00 C ATOM 529 O VAL A 37 -2.016 1.586 7.575 1.00 15.00 O ATOM 530 CB VAL A 37 -0.392 2.172 4.843 1.00 15.00 C ATOM 531 CG1 VAL A 37 -0.648 1.625 3.453 1.00 15.00 C ATOM 532 CG2 VAL A 37 -1.405 3.258 5.157 1.00 15.00 C ATOM 0 H VAL A 37 -1.607 -0.040 4.607 1.00 15.00 H new ATOM 0 HA VAL A 37 0.654 0.687 6.006 1.00 15.00 H new ATOM 0 HB VAL A 37 0.602 2.620 4.870 1.00 15.00 H new ATOM 0 HG11 VAL A 37 -0.654 2.445 2.735 1.00 15.00 H new ATOM 0 HG12 VAL A 37 0.139 0.918 3.190 1.00 15.00 H new ATOM 0 HG13 VAL A 37 -1.613 1.118 3.433 1.00 15.00 H new ATOM 0 HG21 VAL A 37 -1.376 4.019 4.377 1.00 15.00 H new ATOM 0 HG22 VAL A 37 -2.403 2.822 5.202 1.00 15.00 H new ATOM 0 HG23 VAL A 37 -1.164 3.713 6.118 1.00 15.00 H new ATOM 542 N LYS A 38 0.112 2.123 8.020 1.00 15.00 N ATOM 543 CA LYS A 38 -0.208 2.719 9.303 1.00 15.00 C ATOM 544 C LYS A 38 -0.732 4.129 9.063 1.00 15.00 C ATOM 545 O LYS A 38 -1.778 4.512 9.581 1.00 15.00 O ATOM 546 CB LYS A 38 1.023 2.708 10.223 1.00 15.00 C ATOM 547 CG LYS A 38 1.327 4.026 10.929 1.00 15.00 C ATOM 548 CD LYS A 38 1.794 3.797 12.361 1.00 15.00 C ATOM 549 CE LYS A 38 2.893 2.747 12.437 1.00 15.00 C ATOM 550 NZ LYS A 38 4.232 3.358 12.665 1.00 15.00 N ATOM 0 H LYS A 38 1.102 2.144 7.776 1.00 15.00 H new ATOM 0 HA LYS A 38 -0.981 2.140 9.809 1.00 15.00 H new ATOM 0 HB2 LYS A 38 0.883 1.935 10.979 1.00 15.00 H new ATOM 0 HB3 LYS A 38 1.894 2.423 9.633 1.00 15.00 H new ATOM 0 HG2 LYS A 38 2.095 4.567 10.377 1.00 15.00 H new ATOM 0 HG3 LYS A 38 0.435 4.653 10.932 1.00 15.00 H new ATOM 0 HD2 LYS A 38 2.159 4.735 12.779 1.00 15.00 H new ATOM 0 HD3 LYS A 38 0.949 3.483 12.973 1.00 15.00 H new ATOM 0 HE2 LYS A 38 2.671 2.048 13.243 1.00 15.00 H new ATOM 0 HE3 LYS A 38 2.910 2.172 11.511 1.00 15.00 H new ATOM 0 HZ1 LYS A 38 4.852 2.669 13.136 1.00 15.00 H new ATOM 0 HZ2 LYS A 38 4.649 3.632 11.752 1.00 15.00 H new ATOM 0 HZ3 LYS A 38 4.131 4.201 13.266 1.00 15.00 H new ATOM 564 N ALA A 39 0.000 4.885 8.249 1.00 15.00 N ATOM 565 CA ALA A 39 -0.390 6.245 7.903 1.00 15.00 C ATOM 566 C ALA A 39 0.517 6.805 6.813 1.00 15.00 C ATOM 567 O ALA A 39 1.520 6.188 6.462 1.00 15.00 O ATOM 568 CB ALA A 39 -0.376 7.132 9.132 1.00 15.00 C ATOM 0 H ALA A 39 0.870 4.575 7.816 1.00 15.00 H new ATOM 0 HA ALA A 39 -1.408 6.223 7.514 1.00 15.00 H new ATOM 0 HB1 ALA A 39 -0.670 8.144 8.854 1.00 15.00 H new ATOM 0 HB2 ALA A 39 -1.076 6.741 9.871 1.00 15.00 H new ATOM 0 HB3 ALA A 39 0.628 7.150 9.557 1.00 15.00 H new ATOM 574 N VAL A 40 0.170 7.981 6.296 1.00 15.00 N ATOM 575 CA VAL A 40 0.970 8.626 5.252 1.00 15.00 C ATOM 576 C VAL A 40 1.908 9.651 5.882 1.00 15.00 C ATOM 577 O VAL A 40 1.463 10.644 6.457 1.00 15.00 O ATOM 578 CB VAL A 40 0.093 9.321 4.180 1.00 15.00 C ATOM 579 CG1 VAL A 40 0.101 8.527 2.881 1.00 15.00 C ATOM 580 CG2 VAL A 40 -1.331 9.513 4.675 1.00 15.00 C ATOM 0 H VAL A 40 -0.656 8.507 6.580 1.00 15.00 H new ATOM 0 HA VAL A 40 1.542 7.844 4.753 1.00 15.00 H new ATOM 0 HB VAL A 40 0.520 10.305 3.988 1.00 15.00 H new ATOM 0 HG11 VAL A 40 -0.521 9.032 2.142 1.00 15.00 H new ATOM 0 HG12 VAL A 40 1.122 8.452 2.506 1.00 15.00 H new ATOM 0 HG13 VAL A 40 -0.292 7.527 3.063 1.00 15.00 H new ATOM 0 HG21 VAL A 40 -1.922 10.003 3.901 1.00 15.00 H new ATOM 0 HG22 VAL A 40 -1.770 8.542 4.907 1.00 15.00 H new ATOM 0 HG23 VAL A 40 -1.324 10.132 5.572 1.00 15.00 H new ATOM 590 N ILE A 41 3.207 9.375 5.812 1.00 15.00 N ATOM 591 CA ILE A 41 4.207 10.243 6.423 1.00 15.00 C ATOM 592 C ILE A 41 4.510 11.492 5.595 1.00 15.00 C ATOM 593 O ILE A 41 4.974 11.402 4.457 1.00 15.00 O ATOM 594 CB ILE A 41 5.511 9.460 6.732 1.00 15.00 C ATOM 595 CG1 ILE A 41 5.294 8.456 7.877 1.00 15.00 C ATOM 596 CG2 ILE A 41 6.650 10.405 7.083 1.00 15.00 C ATOM 597 CD1 ILE A 41 3.863 7.986 8.041 1.00 15.00 C ATOM 0 H ILE A 41 3.591 8.557 5.338 1.00 15.00 H new ATOM 0 HA ILE A 41 3.773 10.591 7.360 1.00 15.00 H new ATOM 0 HB ILE A 41 5.781 8.910 5.830 1.00 15.00 H new ATOM 0 HG12 ILE A 41 5.931 7.588 7.707 1.00 15.00 H new ATOM 0 HG13 ILE A 41 5.622 8.913 8.811 1.00 15.00 H new ATOM 0 HG21 ILE A 41 7.550 9.827 7.294 1.00 15.00 H new ATOM 0 HG22 ILE A 41 6.838 11.076 6.245 1.00 15.00 H new ATOM 0 HG23 ILE A 41 6.380 10.990 7.962 1.00 15.00 H new ATOM 0 HD11 ILE A 41 3.804 7.281 8.871 1.00 15.00 H new ATOM 0 HD12 ILE A 41 3.220 8.842 8.246 1.00 15.00 H new ATOM 0 HD13 ILE A 41 3.534 7.496 7.125 1.00 15.00 H new ATOM 609 N PRO A 42 4.257 12.684 6.188 1.00 15.00 N ATOM 610 CA PRO A 42 4.496 13.981 5.538 1.00 15.00 C ATOM 611 C PRO A 42 5.975 14.247 5.265 1.00 15.00 C ATOM 612 O PRO A 42 6.544 15.212 5.776 1.00 15.00 O ATOM 613 CB PRO A 42 3.953 14.999 6.548 1.00 15.00 C ATOM 614 CG PRO A 42 3.999 14.298 7.857 1.00 15.00 C ATOM 615 CD PRO A 42 3.722 12.855 7.555 1.00 15.00 C ATOM 0 HA PRO A 42 4.017 14.028 4.560 1.00 15.00 H new ATOM 0 HB2 PRO A 42 4.560 15.904 6.563 1.00 15.00 H new ATOM 0 HB3 PRO A 42 2.936 15.301 6.297 1.00 15.00 H new ATOM 0 HG2 PRO A 42 4.973 14.419 8.332 1.00 15.00 H new ATOM 0 HG3 PRO A 42 3.257 14.704 8.545 1.00 15.00 H new ATOM 0 HD2 PRO A 42 4.217 12.193 8.266 1.00 15.00 H new ATOM 0 HD3 PRO A 42 2.656 12.632 7.600 1.00 15.00 H new ATOM 623 N GLN A 43 6.596 13.394 4.456 1.00 15.00 N ATOM 624 CA GLN A 43 8.006 13.558 4.126 1.00 15.00 C ATOM 625 C GLN A 43 8.339 12.971 2.756 1.00 15.00 C ATOM 626 O GLN A 43 9.058 13.587 1.969 1.00 15.00 O ATOM 627 CB GLN A 43 8.879 12.902 5.197 1.00 15.00 C ATOM 628 CG GLN A 43 9.283 13.847 6.316 1.00 15.00 C ATOM 629 CD GLN A 43 10.748 14.232 6.254 1.00 15.00 C ATOM 630 OE1 GLN A 43 11.628 13.413 6.519 1.00 15.00 O ATOM 631 NE2 GLN A 43 11.017 15.484 5.902 1.00 15.00 N ATOM 0 H GLN A 43 6.148 12.588 4.020 1.00 15.00 H new ATOM 0 HA GLN A 43 8.212 14.628 4.092 1.00 15.00 H new ATOM 0 HB2 GLN A 43 8.341 12.056 5.624 1.00 15.00 H new ATOM 0 HB3 GLN A 43 9.778 12.504 4.727 1.00 15.00 H new ATOM 0 HG2 GLN A 43 8.672 14.748 6.264 1.00 15.00 H new ATOM 0 HG3 GLN A 43 9.075 13.376 7.277 1.00 15.00 H new ATOM 0 HE21 GLN A 43 10.256 16.129 5.691 1.00 15.00 H new ATOM 0 HE22 GLN A 43 11.985 15.800 5.843 1.00 15.00 H new ATOM 640 N GLY A 44 7.831 11.773 2.479 1.00 15.00 N ATOM 641 CA GLY A 44 8.115 11.131 1.205 1.00 15.00 C ATOM 642 C GLY A 44 7.144 11.506 0.099 1.00 15.00 C ATOM 643 O GLY A 44 6.070 12.051 0.352 1.00 15.00 O ATOM 0 H GLY A 44 7.232 11.238 3.108 1.00 15.00 H new ATOM 0 HA2 GLY A 44 9.126 11.395 0.893 1.00 15.00 H new ATOM 0 HA3 GLY A 44 8.096 10.050 1.341 1.00 15.00 H new ATOM 647 N ALA A 45 7.540 11.203 -1.135 1.00 15.00 N ATOM 648 CA ALA A 45 6.736 11.500 -2.321 1.00 15.00 C ATOM 649 C ALA A 45 5.317 10.936 -2.233 1.00 15.00 C ATOM 650 O ALA A 45 4.441 11.337 -2.999 1.00 15.00 O ATOM 651 CB ALA A 45 7.429 10.958 -3.560 1.00 15.00 C ATOM 0 H ALA A 45 8.427 10.745 -1.342 1.00 15.00 H new ATOM 0 HA ALA A 45 6.645 12.584 -2.383 1.00 15.00 H new ATOM 0 HB1 ALA A 45 6.827 11.181 -4.441 1.00 15.00 H new ATOM 0 HB2 ALA A 45 8.409 11.425 -3.662 1.00 15.00 H new ATOM 0 HB3 ALA A 45 7.549 9.879 -3.467 1.00 15.00 H new ATOM 657 N ALA A 46 5.090 10.004 -1.315 1.00 15.00 N ATOM 658 CA ALA A 46 3.773 9.397 -1.165 1.00 15.00 C ATOM 659 C ALA A 46 2.784 10.371 -0.541 1.00 15.00 C ATOM 660 O ALA A 46 1.747 10.677 -1.132 1.00 15.00 O ATOM 661 CB ALA A 46 3.863 8.134 -0.325 1.00 15.00 C ATOM 0 H ALA A 46 5.796 9.654 -0.667 1.00 15.00 H new ATOM 0 HA ALA A 46 3.411 9.137 -2.160 1.00 15.00 H new ATOM 0 HB1 ALA A 46 2.871 7.694 -0.223 1.00 15.00 H new ATOM 0 HB2 ALA A 46 4.529 7.421 -0.811 1.00 15.00 H new ATOM 0 HB3 ALA A 46 4.254 8.381 0.662 1.00 15.00 H new ATOM 667 N GLU A 47 3.110 10.862 0.651 1.00 15.00 N ATOM 668 CA GLU A 47 2.246 11.811 1.343 1.00 15.00 C ATOM 669 C GLU A 47 1.995 13.037 0.466 1.00 15.00 C ATOM 670 O GLU A 47 0.882 13.561 0.411 1.00 15.00 O ATOM 671 CB GLU A 47 2.877 12.251 2.673 1.00 15.00 C ATOM 672 CG GLU A 47 4.082 13.157 2.475 1.00 15.00 C ATOM 673 CD GLU A 47 3.698 14.613 2.287 1.00 15.00 C ATOM 674 OE1 GLU A 47 2.635 15.018 2.803 1.00 15.00 O ATOM 675 OE2 GLU A 47 4.462 15.347 1.625 1.00 15.00 O ATOM 0 H GLU A 47 3.963 10.619 1.156 1.00 15.00 H new ATOM 0 HA GLU A 47 1.297 11.316 1.550 1.00 15.00 H new ATOM 0 HB2 GLU A 47 2.129 12.772 3.271 1.00 15.00 H new ATOM 0 HB3 GLU A 47 3.179 11.369 3.238 1.00 15.00 H new ATOM 0 HG2 GLU A 47 4.743 13.069 3.337 1.00 15.00 H new ATOM 0 HG3 GLU A 47 4.646 12.819 1.605 1.00 15.00 H new ATOM 682 N SER A 48 3.049 13.492 -0.211 1.00 15.00 N ATOM 683 CA SER A 48 2.964 14.661 -1.079 1.00 15.00 C ATOM 684 C SER A 48 1.844 14.498 -2.094 1.00 15.00 C ATOM 685 O SER A 48 0.817 15.173 -2.013 1.00 15.00 O ATOM 686 CB SER A 48 4.294 14.885 -1.800 1.00 15.00 C ATOM 687 OG SER A 48 4.257 16.063 -2.585 1.00 15.00 O ATOM 0 H SER A 48 3.975 13.065 -0.173 1.00 15.00 H new ATOM 0 HA SER A 48 2.746 15.530 -0.459 1.00 15.00 H new ATOM 0 HB2 SER A 48 5.100 14.957 -1.069 1.00 15.00 H new ATOM 0 HB3 SER A 48 4.515 14.028 -2.436 1.00 15.00 H new ATOM 0 HG SER A 48 5.120 16.184 -3.034 1.00 15.00 H new ATOM 693 N ASP A 49 2.036 13.589 -3.042 1.00 15.00 N ATOM 694 CA ASP A 49 1.023 13.339 -4.055 1.00 15.00 C ATOM 695 C ASP A 49 -0.245 12.822 -3.392 1.00 15.00 C ATOM 696 O ASP A 49 -1.358 13.172 -3.787 1.00 15.00 O ATOM 697 CB ASP A 49 1.530 12.327 -5.084 1.00 15.00 C ATOM 698 CG ASP A 49 2.115 12.996 -6.312 1.00 15.00 C ATOM 699 OD1 ASP A 49 1.449 13.891 -6.874 1.00 15.00 O ATOM 700 OD2 ASP A 49 3.238 12.624 -6.713 1.00 15.00 O ATOM 0 H ASP A 49 2.877 13.018 -3.129 1.00 15.00 H new ATOM 0 HA ASP A 49 0.804 14.273 -4.573 1.00 15.00 H new ATOM 0 HB2 ASP A 49 2.287 11.693 -4.623 1.00 15.00 H new ATOM 0 HB3 ASP A 49 0.709 11.676 -5.384 1.00 15.00 H new ATOM 705 N GLY A 50 -0.061 11.986 -2.376 1.00 15.00 N ATOM 706 CA GLY A 50 -1.186 11.426 -1.659 1.00 15.00 C ATOM 707 C GLY A 50 -1.785 10.244 -2.392 1.00 15.00 C ATOM 708 O GLY A 50 -3.005 10.137 -2.523 1.00 15.00 O ATOM 0 H GLY A 50 0.853 11.686 -2.037 1.00 15.00 H new ATOM 0 HA2 GLY A 50 -0.865 11.113 -0.665 1.00 15.00 H new ATOM 0 HA3 GLY A 50 -1.948 12.193 -1.521 1.00 15.00 H new ATOM 712 N ARG A 51 -0.923 9.362 -2.884 1.00 15.00 N ATOM 713 CA ARG A 51 -1.366 8.188 -3.624 1.00 15.00 C ATOM 714 C ARG A 51 -1.843 7.097 -2.674 1.00 15.00 C ATOM 715 O ARG A 51 -2.959 6.593 -2.800 1.00 15.00 O ATOM 716 CB ARG A 51 -0.220 7.665 -4.490 1.00 15.00 C ATOM 717 CG ARG A 51 -0.640 7.270 -5.894 1.00 15.00 C ATOM 718 CD ARG A 51 -1.303 8.420 -6.634 1.00 15.00 C ATOM 719 NE ARG A 51 -2.698 8.127 -6.963 1.00 15.00 N ATOM 720 CZ ARG A 51 -3.741 8.799 -6.476 1.00 15.00 C ATOM 721 NH1 ARG A 51 -3.564 9.807 -5.630 1.00 15.00 N ATOM 722 NH2 ARG A 51 -4.971 8.458 -6.838 1.00 15.00 N ATOM 0 H ARG A 51 0.089 9.439 -2.783 1.00 15.00 H new ATOM 0 HA ARG A 51 -2.202 8.473 -4.262 1.00 15.00 H new ATOM 0 HB2 ARG A 51 0.552 8.431 -4.555 1.00 15.00 H new ATOM 0 HB3 ARG A 51 0.228 6.801 -3.999 1.00 15.00 H new ATOM 0 HG2 ARG A 51 0.234 6.935 -6.453 1.00 15.00 H new ATOM 0 HG3 ARG A 51 -1.329 6.427 -5.843 1.00 15.00 H new ATOM 0 HD2 ARG A 51 -1.256 9.320 -6.022 1.00 15.00 H new ATOM 0 HD3 ARG A 51 -0.750 8.629 -7.550 1.00 15.00 H new ATOM 0 HE ARG A 51 -2.885 7.358 -7.607 1.00 15.00 H new ATOM 0 HH11 ARG A 51 -2.622 10.075 -5.346 1.00 15.00 H new ATOM 0 HH12 ARG A 51 -4.370 10.313 -5.264 1.00 15.00 H new ATOM 0 HH21 ARG A 51 -5.116 7.684 -7.487 1.00 15.00 H new ATOM 0 HH22 ARG A 51 -5.772 8.970 -6.468 1.00 15.00 H new ATOM 736 N ILE A 52 -0.991 6.742 -1.722 1.00 15.00 N ATOM 737 CA ILE A 52 -1.317 5.720 -0.745 1.00 15.00 C ATOM 738 C ILE A 52 -2.162 6.311 0.387 1.00 15.00 C ATOM 739 O ILE A 52 -2.248 7.531 0.530 1.00 15.00 O ATOM 740 CB ILE A 52 -0.028 5.089 -0.186 1.00 15.00 C ATOM 741 CG1 ILE A 52 -0.348 3.826 0.606 1.00 15.00 C ATOM 742 CG2 ILE A 52 0.735 6.093 0.667 1.00 15.00 C ATOM 743 CD1 ILE A 52 -1.135 2.803 -0.182 1.00 15.00 C ATOM 0 H ILE A 52 -0.064 7.152 -1.608 1.00 15.00 H new ATOM 0 HA ILE A 52 -1.900 4.941 -1.236 1.00 15.00 H new ATOM 0 HB ILE A 52 0.610 4.807 -1.024 1.00 15.00 H new ATOM 0 HG12 ILE A 52 0.584 3.373 0.945 1.00 15.00 H new ATOM 0 HG13 ILE A 52 -0.913 4.099 1.498 1.00 15.00 H new ATOM 0 HG21 ILE A 52 1.642 5.628 1.052 1.00 15.00 H new ATOM 0 HG22 ILE A 52 1.001 6.958 0.060 1.00 15.00 H new ATOM 0 HG23 ILE A 52 0.109 6.413 1.500 1.00 15.00 H new ATOM 0 HD11 ILE A 52 -1.327 1.931 0.443 1.00 15.00 H new ATOM 0 HD12 ILE A 52 -2.083 3.238 -0.499 1.00 15.00 H new ATOM 0 HD13 ILE A 52 -0.563 2.501 -1.060 1.00 15.00 H new ATOM 755 N HIS A 53 -2.797 5.450 1.179 1.00 15.00 N ATOM 756 CA HIS A 53 -3.644 5.912 2.277 1.00 15.00 C ATOM 757 C HIS A 53 -3.624 4.959 3.455 1.00 15.00 C ATOM 758 O HIS A 53 -3.305 3.780 3.326 1.00 15.00 O ATOM 759 CB HIS A 53 -5.080 6.116 1.793 1.00 15.00 C ATOM 760 CG HIS A 53 -5.232 7.255 0.833 1.00 15.00 C ATOM 761 ND1 HIS A 53 -5.103 7.112 -0.533 1.00 15.00 N ATOM 762 CD2 HIS A 53 -5.505 8.565 1.048 1.00 15.00 C ATOM 763 CE1 HIS A 53 -5.289 8.283 -1.116 1.00 15.00 C ATOM 764 NE2 HIS A 53 -5.535 9.180 -0.179 1.00 15.00 N ATOM 0 H HIS A 53 -2.742 4.436 1.083 1.00 15.00 H new ATOM 0 HA HIS A 53 -3.237 6.864 2.618 1.00 15.00 H new ATOM 0 HB2 HIS A 53 -5.427 5.200 1.315 1.00 15.00 H new ATOM 0 HB3 HIS A 53 -5.724 6.290 2.655 1.00 15.00 H new ATOM 0 HD2 HIS A 53 -5.668 9.037 2.006 1.00 15.00 H new ATOM 0 HE1 HIS A 53 -5.247 8.474 -2.178 1.00 15.00 H new ATOM 0 HE2 HIS A 53 -5.718 10.170 -0.341 1.00 15.00 H new ATOM 773 N LYS A 54 -3.952 5.515 4.612 1.00 15.00 N ATOM 774 CA LYS A 54 -3.967 4.784 5.867 1.00 15.00 C ATOM 775 C LYS A 54 -4.581 3.386 5.738 1.00 15.00 C ATOM 776 O LYS A 54 -5.647 3.212 5.148 1.00 15.00 O ATOM 777 CB LYS A 54 -4.733 5.586 6.922 1.00 15.00 C ATOM 778 CG LYS A 54 -3.836 6.267 7.940 1.00 15.00 C ATOM 779 CD LYS A 54 -4.620 6.702 9.167 1.00 15.00 C ATOM 780 CE LYS A 54 -4.702 5.588 10.198 1.00 15.00 C ATOM 781 NZ LYS A 54 -4.772 6.120 11.587 1.00 15.00 N ATOM 0 H LYS A 54 -4.217 6.495 4.705 1.00 15.00 H new ATOM 0 HA LYS A 54 -2.928 4.650 6.169 1.00 15.00 H new ATOM 0 HB2 LYS A 54 -5.339 6.341 6.422 1.00 15.00 H new ATOM 0 HB3 LYS A 54 -5.420 4.920 7.444 1.00 15.00 H new ATOM 0 HG2 LYS A 54 -3.039 5.586 8.238 1.00 15.00 H new ATOM 0 HG3 LYS A 54 -3.359 7.135 7.484 1.00 15.00 H new ATOM 0 HD2 LYS A 54 -4.146 7.577 9.612 1.00 15.00 H new ATOM 0 HD3 LYS A 54 -5.626 7.000 8.871 1.00 15.00 H new ATOM 0 HE2 LYS A 54 -5.581 4.974 10.000 1.00 15.00 H new ATOM 0 HE3 LYS A 54 -3.831 4.939 10.101 1.00 15.00 H new ATOM 0 HZ1 LYS A 54 -4.827 5.329 12.260 1.00 15.00 H new ATOM 0 HZ2 LYS A 54 -3.922 6.685 11.786 1.00 15.00 H new ATOM 0 HZ3 LYS A 54 -5.617 6.719 11.687 1.00 15.00 H new ATOM 795 N GLY A 55 -3.896 2.399 6.318 1.00 15.00 N ATOM 796 CA GLY A 55 -4.372 1.023 6.292 1.00 15.00 C ATOM 797 C GLY A 55 -4.762 0.542 4.912 1.00 15.00 C ATOM 798 O GLY A 55 -5.661 -0.289 4.776 1.00 15.00 O ATOM 0 H GLY A 55 -3.012 2.531 6.810 1.00 15.00 H new ATOM 0 HA2 GLY A 55 -3.594 0.371 6.688 1.00 15.00 H new ATOM 0 HA3 GLY A 55 -5.232 0.932 6.955 1.00 15.00 H new ATOM 802 N ASP A 56 -4.091 1.044 3.883 1.00 15.00 N ATOM 803 CA ASP A 56 -4.398 0.622 2.524 1.00 15.00 C ATOM 804 C ASP A 56 -4.051 -0.849 2.331 1.00 15.00 C ATOM 805 O ASP A 56 -2.948 -1.283 2.669 1.00 15.00 O ATOM 806 CB ASP A 56 -3.656 1.481 1.497 1.00 15.00 C ATOM 807 CG ASP A 56 -4.602 2.313 0.655 1.00 15.00 C ATOM 808 OD1 ASP A 56 -5.660 1.784 0.253 1.00 15.00 O ATOM 809 OD2 ASP A 56 -4.287 3.494 0.397 1.00 15.00 O ATOM 0 H ASP A 56 -3.343 1.733 3.961 1.00 15.00 H new ATOM 0 HA ASP A 56 -5.468 0.755 2.366 1.00 15.00 H new ATOM 0 HB2 ASP A 56 -2.958 2.139 2.014 1.00 15.00 H new ATOM 0 HB3 ASP A 56 -3.065 0.837 0.846 1.00 15.00 H new ATOM 814 N ARG A 57 -4.995 -1.609 1.782 1.00 15.00 N ATOM 815 CA ARG A 57 -4.788 -3.031 1.535 1.00 15.00 C ATOM 816 C ARG A 57 -4.062 -3.234 0.211 1.00 15.00 C ATOM 817 O ARG A 57 -4.691 -3.400 -0.834 1.00 15.00 O ATOM 818 CB ARG A 57 -6.127 -3.772 1.516 1.00 15.00 C ATOM 819 CG ARG A 57 -7.097 -3.309 2.592 1.00 15.00 C ATOM 820 CD ARG A 57 -8.149 -4.366 2.885 1.00 15.00 C ATOM 821 NE ARG A 57 -9.098 -3.928 3.905 1.00 15.00 N ATOM 822 CZ ARG A 57 -9.919 -4.751 4.553 1.00 15.00 C ATOM 823 NH1 ARG A 57 -9.909 -6.051 4.290 1.00 15.00 N ATOM 824 NH2 ARG A 57 -10.752 -4.272 5.468 1.00 15.00 N ATOM 0 H ARG A 57 -5.912 -1.262 1.500 1.00 15.00 H new ATOM 0 HA ARG A 57 -4.176 -3.436 2.341 1.00 15.00 H new ATOM 0 HB2 ARG A 57 -6.592 -3.640 0.539 1.00 15.00 H new ATOM 0 HB3 ARG A 57 -5.943 -4.839 1.640 1.00 15.00 H new ATOM 0 HG2 ARG A 57 -6.547 -3.079 3.504 1.00 15.00 H new ATOM 0 HG3 ARG A 57 -7.584 -2.388 2.272 1.00 15.00 H new ATOM 0 HD2 ARG A 57 -8.688 -4.605 1.968 1.00 15.00 H new ATOM 0 HD3 ARG A 57 -7.660 -5.282 3.215 1.00 15.00 H new ATOM 0 HE ARG A 57 -9.134 -2.935 4.134 1.00 15.00 H new ATOM 0 HH11 ARG A 57 -9.270 -6.424 3.588 1.00 15.00 H new ATOM 0 HH12 ARG A 57 -10.540 -6.677 4.790 1.00 15.00 H new ATOM 0 HH21 ARG A 57 -10.763 -3.273 5.675 1.00 15.00 H new ATOM 0 HH22 ARG A 57 -11.381 -4.903 5.965 1.00 15.00 H new ATOM 838 N VAL A 58 -2.734 -3.201 0.259 1.00 15.00 N ATOM 839 CA VAL A 58 -1.927 -3.363 -0.942 1.00 15.00 C ATOM 840 C VAL A 58 -1.801 -4.833 -1.340 1.00 15.00 C ATOM 841 O VAL A 58 -1.276 -5.656 -0.583 1.00 15.00 O ATOM 842 CB VAL A 58 -0.524 -2.728 -0.774 1.00 15.00 C ATOM 843 CG1 VAL A 58 -0.609 -1.457 0.060 1.00 15.00 C ATOM 844 CG2 VAL A 58 0.463 -3.708 -0.154 1.00 15.00 C ATOM 0 H VAL A 58 -2.196 -3.064 1.115 1.00 15.00 H new ATOM 0 HA VAL A 58 -2.444 -2.837 -1.744 1.00 15.00 H new ATOM 0 HB VAL A 58 -0.156 -2.471 -1.767 1.00 15.00 H new ATOM 0 HG11 VAL A 58 0.386 -1.025 0.167 1.00 15.00 H new ATOM 0 HG12 VAL A 58 -1.264 -0.740 -0.435 1.00 15.00 H new ATOM 0 HG13 VAL A 58 -1.010 -1.695 1.045 1.00 15.00 H new ATOM 0 HG21 VAL A 58 1.436 -3.228 -0.051 1.00 15.00 H new ATOM 0 HG22 VAL A 58 0.104 -4.014 0.829 1.00 15.00 H new ATOM 0 HG23 VAL A 58 0.557 -4.585 -0.795 1.00 15.00 H new ATOM 854 N LEU A 59 -2.310 -5.151 -2.530 1.00 15.00 N ATOM 855 CA LEU A 59 -2.277 -6.515 -3.043 1.00 15.00 C ATOM 856 C LEU A 59 -1.266 -6.689 -4.180 1.00 15.00 C ATOM 857 O LEU A 59 -0.887 -7.813 -4.504 1.00 15.00 O ATOM 858 CB LEU A 59 -3.667 -6.933 -3.524 1.00 15.00 C ATOM 859 CG LEU A 59 -4.777 -6.831 -2.475 1.00 15.00 C ATOM 860 CD1 LEU A 59 -6.040 -7.515 -2.972 1.00 15.00 C ATOM 861 CD2 LEU A 59 -4.323 -7.438 -1.155 1.00 15.00 C ATOM 0 H LEU A 59 -2.751 -4.478 -3.157 1.00 15.00 H new ATOM 0 HA LEU A 59 -1.960 -7.156 -2.220 1.00 15.00 H new ATOM 0 HB2 LEU A 59 -3.939 -6.315 -4.379 1.00 15.00 H new ATOM 0 HB3 LEU A 59 -3.617 -7.963 -3.878 1.00 15.00 H new ATOM 0 HG LEU A 59 -4.999 -5.777 -2.308 1.00 15.00 H new ATOM 0 HD11 LEU A 59 -6.820 -7.434 -2.215 1.00 15.00 H new ATOM 0 HD12 LEU A 59 -6.376 -7.035 -3.891 1.00 15.00 H new ATOM 0 HD13 LEU A 59 -5.832 -8.567 -3.167 1.00 15.00 H new ATOM 0 HD21 LEU A 59 -5.125 -7.356 -0.422 1.00 15.00 H new ATOM 0 HD22 LEU A 59 -4.074 -8.489 -1.304 1.00 15.00 H new ATOM 0 HD23 LEU A 59 -3.444 -6.905 -0.792 1.00 15.00 H new ATOM 873 N ALA A 60 -0.851 -5.589 -4.810 1.00 15.00 N ATOM 874 CA ALA A 60 0.091 -5.682 -5.927 1.00 15.00 C ATOM 875 C ALA A 60 1.011 -4.465 -6.034 1.00 15.00 C ATOM 876 O ALA A 60 0.627 -3.342 -5.711 1.00 15.00 O ATOM 877 CB ALA A 60 -0.673 -5.875 -7.228 1.00 15.00 C ATOM 0 H ALA A 60 -1.145 -4.641 -4.573 1.00 15.00 H new ATOM 0 HA ALA A 60 0.731 -6.543 -5.736 1.00 15.00 H new ATOM 0 HB1 ALA A 60 0.031 -5.944 -8.057 1.00 15.00 H new ATOM 0 HB2 ALA A 60 -1.259 -6.792 -7.173 1.00 15.00 H new ATOM 0 HB3 ALA A 60 -1.340 -5.027 -7.388 1.00 15.00 H new ATOM 883 N VAL A 61 2.226 -4.716 -6.519 1.00 15.00 N ATOM 884 CA VAL A 61 3.236 -3.677 -6.717 1.00 15.00 C ATOM 885 C VAL A 61 3.956 -3.928 -8.033 1.00 15.00 C ATOM 886 O VAL A 61 4.896 -4.720 -8.097 1.00 15.00 O ATOM 887 CB VAL A 61 4.264 -3.651 -5.570 1.00 15.00 C ATOM 888 CG1 VAL A 61 5.274 -2.531 -5.778 1.00 15.00 C ATOM 889 CG2 VAL A 61 3.562 -3.503 -4.232 1.00 15.00 C ATOM 0 H VAL A 61 2.539 -5.649 -6.787 1.00 15.00 H new ATOM 0 HA VAL A 61 2.730 -2.712 -6.734 1.00 15.00 H new ATOM 0 HB VAL A 61 4.805 -4.597 -5.570 1.00 15.00 H new ATOM 0 HG11 VAL A 61 5.991 -2.530 -4.957 1.00 15.00 H new ATOM 0 HG12 VAL A 61 5.801 -2.686 -6.719 1.00 15.00 H new ATOM 0 HG13 VAL A 61 4.754 -1.573 -5.807 1.00 15.00 H new ATOM 0 HG21 VAL A 61 4.303 -3.486 -3.432 1.00 15.00 H new ATOM 0 HG22 VAL A 61 2.994 -2.573 -4.220 1.00 15.00 H new ATOM 0 HG23 VAL A 61 2.885 -4.344 -4.082 1.00 15.00 H new ATOM 899 N ASN A 62 3.484 -3.277 -9.089 1.00 15.00 N ATOM 900 CA ASN A 62 4.056 -3.459 -10.416 1.00 15.00 C ATOM 901 C ASN A 62 3.707 -4.850 -10.946 1.00 15.00 C ATOM 902 O ASN A 62 4.314 -5.335 -11.901 1.00 15.00 O ATOM 903 CB ASN A 62 5.575 -3.266 -10.387 1.00 15.00 C ATOM 904 CG ASN A 62 5.989 -2.010 -9.642 1.00 15.00 C ATOM 905 OD1 ASN A 62 7.033 -1.980 -8.991 1.00 15.00 O ATOM 906 ND2 ASN A 62 5.172 -0.963 -9.734 1.00 15.00 N ATOM 0 H ASN A 62 2.706 -2.618 -9.052 1.00 15.00 H new ATOM 0 HA ASN A 62 3.633 -2.707 -11.082 1.00 15.00 H new ATOM 0 HB2 ASN A 62 6.039 -4.133 -9.916 1.00 15.00 H new ATOM 0 HB3 ASN A 62 5.951 -3.219 -11.409 1.00 15.00 H new ATOM 0 HD21 ASN A 62 5.402 -0.093 -9.254 1.00 15.00 H new ATOM 0 HD22 ASN A 62 4.316 -1.031 -10.285 1.00 15.00 H new ATOM 913 N GLY A 63 2.711 -5.480 -10.317 1.00 15.00 N ATOM 914 CA GLY A 63 2.277 -6.801 -10.729 1.00 15.00 C ATOM 915 C GLY A 63 2.689 -7.900 -9.765 1.00 15.00 C ATOM 916 O GLY A 63 2.454 -9.079 -10.031 1.00 15.00 O ATOM 0 H GLY A 63 2.198 -5.092 -9.526 1.00 15.00 H new ATOM 0 HA2 GLY A 63 1.192 -6.804 -10.829 1.00 15.00 H new ATOM 0 HA3 GLY A 63 2.688 -7.019 -11.714 1.00 15.00 H new ATOM 920 N VAL A 64 3.293 -7.526 -8.641 1.00 15.00 N ATOM 921 CA VAL A 64 3.714 -8.508 -7.650 1.00 15.00 C ATOM 922 C VAL A 64 2.638 -8.697 -6.580 1.00 15.00 C ATOM 923 O VAL A 64 2.440 -7.841 -5.719 1.00 15.00 O ATOM 924 CB VAL A 64 5.058 -8.118 -6.994 1.00 15.00 C ATOM 925 CG1 VAL A 64 4.882 -6.988 -5.992 1.00 15.00 C ATOM 926 CG2 VAL A 64 5.699 -9.329 -6.332 1.00 15.00 C ATOM 0 H VAL A 64 3.500 -6.558 -8.396 1.00 15.00 H new ATOM 0 HA VAL A 64 3.859 -9.453 -8.173 1.00 15.00 H new ATOM 0 HB VAL A 64 5.721 -7.759 -7.781 1.00 15.00 H new ATOM 0 HG11 VAL A 64 5.847 -6.740 -5.550 1.00 15.00 H new ATOM 0 HG12 VAL A 64 4.479 -6.111 -6.499 1.00 15.00 H new ATOM 0 HG13 VAL A 64 4.194 -7.302 -5.207 1.00 15.00 H new ATOM 0 HG21 VAL A 64 6.644 -9.036 -5.875 1.00 15.00 H new ATOM 0 HG22 VAL A 64 5.031 -9.720 -5.565 1.00 15.00 H new ATOM 0 HG23 VAL A 64 5.881 -10.099 -7.081 1.00 15.00 H new ATOM 936 N SER A 65 1.936 -9.822 -6.651 1.00 15.00 N ATOM 937 CA SER A 65 0.872 -10.124 -5.699 1.00 15.00 C ATOM 938 C SER A 65 1.385 -10.073 -4.264 1.00 15.00 C ATOM 939 O SER A 65 2.488 -10.534 -3.970 1.00 15.00 O ATOM 940 CB SER A 65 0.275 -11.502 -5.989 1.00 15.00 C ATOM 941 OG SER A 65 -1.069 -11.579 -5.548 1.00 15.00 O ATOM 0 H SER A 65 2.084 -10.541 -7.359 1.00 15.00 H new ATOM 0 HA SER A 65 0.097 -9.366 -5.813 1.00 15.00 H new ATOM 0 HB2 SER A 65 0.322 -11.704 -7.059 1.00 15.00 H new ATOM 0 HB3 SER A 65 0.868 -12.270 -5.493 1.00 15.00 H new ATOM 0 HG SER A 65 -1.428 -12.469 -5.747 1.00 15.00 H new ATOM 947 N LEU A 66 0.573 -9.512 -3.376 1.00 15.00 N ATOM 948 CA LEU A 66 0.933 -9.398 -1.969 1.00 15.00 C ATOM 949 C LEU A 66 0.313 -10.532 -1.158 1.00 15.00 C ATOM 950 O LEU A 66 0.798 -10.875 -0.080 1.00 15.00 O ATOM 951 CB LEU A 66 0.480 -8.046 -1.413 1.00 15.00 C ATOM 952 CG LEU A 66 1.594 -7.185 -0.816 1.00 15.00 C ATOM 953 CD1 LEU A 66 2.291 -7.925 0.316 1.00 15.00 C ATOM 954 CD2 LEU A 66 2.594 -6.788 -1.891 1.00 15.00 C ATOM 0 H LEU A 66 -0.343 -9.128 -3.607 1.00 15.00 H new ATOM 0 HA LEU A 66 2.018 -9.469 -1.888 1.00 15.00 H new ATOM 0 HB2 LEU A 66 -0.003 -7.485 -2.213 1.00 15.00 H new ATOM 0 HB3 LEU A 66 -0.274 -8.220 -0.646 1.00 15.00 H new ATOM 0 HG LEU A 66 1.148 -6.277 -0.409 1.00 15.00 H new ATOM 0 HD11 LEU A 66 3.081 -7.297 0.729 1.00 15.00 H new ATOM 0 HD12 LEU A 66 1.568 -8.159 1.097 1.00 15.00 H new ATOM 0 HD13 LEU A 66 2.725 -8.849 -0.066 1.00 15.00 H new ATOM 0 HD21 LEU A 66 3.380 -6.176 -1.449 1.00 15.00 H new ATOM 0 HD22 LEU A 66 3.035 -7.685 -2.327 1.00 15.00 H new ATOM 0 HD23 LEU A 66 2.085 -6.219 -2.669 1.00 15.00 H new ATOM 966 N GLU A 67 -0.766 -11.111 -1.684 1.00 15.00 N ATOM 967 CA GLU A 67 -1.458 -12.208 -1.011 1.00 15.00 C ATOM 968 C GLU A 67 -0.469 -13.256 -0.508 1.00 15.00 C ATOM 969 O GLU A 67 0.051 -14.057 -1.285 1.00 15.00 O ATOM 970 CB GLU A 67 -2.467 -12.857 -1.960 1.00 15.00 C ATOM 971 CG GLU A 67 -3.699 -13.404 -1.259 1.00 15.00 C ATOM 972 CD GLU A 67 -4.983 -13.074 -1.994 1.00 15.00 C ATOM 973 OE1 GLU A 67 -5.075 -11.964 -2.558 1.00 15.00 O ATOM 974 OE2 GLU A 67 -5.897 -13.925 -2.005 1.00 15.00 O ATOM 0 H GLU A 67 -1.180 -10.838 -2.575 1.00 15.00 H new ATOM 0 HA GLU A 67 -1.986 -11.796 -0.151 1.00 15.00 H new ATOM 0 HB2 GLU A 67 -2.778 -12.123 -2.703 1.00 15.00 H new ATOM 0 HB3 GLU A 67 -1.976 -13.667 -2.499 1.00 15.00 H new ATOM 0 HG2 GLU A 67 -3.607 -14.486 -1.163 1.00 15.00 H new ATOM 0 HG3 GLU A 67 -3.748 -12.997 -0.249 1.00 15.00 H new ATOM 981 N GLY A 68 -0.213 -13.241 0.796 1.00 15.00 N ATOM 982 CA GLY A 68 0.714 -14.191 1.381 1.00 15.00 C ATOM 983 C GLY A 68 2.062 -13.568 1.683 1.00 15.00 C ATOM 984 O GLY A 68 3.082 -13.982 1.132 1.00 15.00 O ATOM 0 H GLY A 68 -0.631 -12.587 1.458 1.00 15.00 H new ATOM 0 HA2 GLY A 68 0.288 -14.592 2.300 1.00 15.00 H new ATOM 0 HA3 GLY A 68 0.849 -15.031 0.699 1.00 15.00 H new ATOM 988 N ALA A 69 2.066 -12.567 2.558 1.00 15.00 N ATOM 989 CA ALA A 69 3.298 -11.882 2.930 1.00 15.00 C ATOM 990 C ALA A 69 3.055 -10.895 4.068 1.00 15.00 C ATOM 991 O ALA A 69 2.016 -10.240 4.124 1.00 15.00 O ATOM 992 CB ALA A 69 3.885 -11.167 1.721 1.00 15.00 C ATOM 0 H ALA A 69 1.230 -12.213 3.022 1.00 15.00 H new ATOM 0 HA ALA A 69 4.012 -12.628 3.280 1.00 15.00 H new ATOM 0 HB1 ALA A 69 4.805 -10.659 2.010 1.00 15.00 H new ATOM 0 HB2 ALA A 69 4.103 -11.894 0.939 1.00 15.00 H new ATOM 0 HB3 ALA A 69 3.168 -10.436 1.347 1.00 15.00 H new ATOM 998 N THR A 70 4.020 -10.795 4.975 1.00 15.00 N ATOM 999 CA THR A 70 3.907 -9.887 6.112 1.00 15.00 C ATOM 1000 C THR A 70 4.072 -8.436 5.670 1.00 15.00 C ATOM 1001 O THR A 70 4.125 -8.139 4.477 1.00 15.00 O ATOM 1002 CB THR A 70 4.961 -10.224 7.172 1.00 15.00 C ATOM 1003 OG1 THR A 70 6.199 -9.600 6.868 1.00 15.00 O ATOM 1004 CG2 THR A 70 5.212 -11.711 7.323 1.00 15.00 C ATOM 0 H THR A 70 4.888 -11.330 4.946 1.00 15.00 H new ATOM 0 HA THR A 70 2.913 -10.011 6.541 1.00 15.00 H new ATOM 0 HB THR A 70 4.553 -9.850 8.111 1.00 15.00 H new ATOM 0 HG1 THR A 70 6.857 -9.826 7.558 1.00 15.00 H new ATOM 0 HG21 THR A 70 5.969 -11.876 8.090 1.00 15.00 H new ATOM 0 HG22 THR A 70 4.287 -12.209 7.613 1.00 15.00 H new ATOM 0 HG23 THR A 70 5.561 -12.119 6.375 1.00 15.00 H new ATOM 1012 N HIS A 71 4.155 -7.537 6.645 1.00 15.00 N ATOM 1013 CA HIS A 71 4.318 -6.115 6.372 1.00 15.00 C ATOM 1014 C HIS A 71 5.640 -5.858 5.656 1.00 15.00 C ATOM 1015 O HIS A 71 5.667 -5.322 4.549 1.00 15.00 O ATOM 1016 CB HIS A 71 4.235 -5.325 7.690 1.00 15.00 C ATOM 1017 CG HIS A 71 5.285 -4.268 7.871 1.00 15.00 C ATOM 1018 ND1 HIS A 71 6.046 -4.158 9.016 1.00 15.00 N ATOM 1019 CD2 HIS A 71 5.689 -3.265 7.057 1.00 15.00 C ATOM 1020 CE1 HIS A 71 6.870 -3.133 8.899 1.00 15.00 C ATOM 1021 NE2 HIS A 71 6.675 -2.575 7.720 1.00 15.00 N ATOM 0 H HIS A 71 4.112 -7.771 7.637 1.00 15.00 H new ATOM 0 HA HIS A 71 3.516 -5.779 5.715 1.00 15.00 H new ATOM 0 HB2 HIS A 71 3.254 -4.854 7.751 1.00 15.00 H new ATOM 0 HB3 HIS A 71 4.303 -6.028 8.521 1.00 15.00 H new ATOM 0 HD1 HIS A 71 5.982 -4.773 9.827 1.00 15.00 H new ATOM 0 HD2 HIS A 71 5.307 -3.048 6.070 1.00 15.00 H new ATOM 0 HE1 HIS A 71 7.582 -2.807 9.642 1.00 15.00 H new ATOM 1030 N LYS A 72 6.731 -6.253 6.298 1.00 15.00 N ATOM 1031 CA LYS A 72 8.062 -6.077 5.730 1.00 15.00 C ATOM 1032 C LYS A 72 8.132 -6.656 4.323 1.00 15.00 C ATOM 1033 O LYS A 72 8.828 -6.127 3.458 1.00 15.00 O ATOM 1034 CB LYS A 72 9.104 -6.746 6.623 1.00 15.00 C ATOM 1035 CG LYS A 72 10.535 -6.415 6.238 1.00 15.00 C ATOM 1036 CD LYS A 72 11.473 -7.575 6.533 1.00 15.00 C ATOM 1037 CE LYS A 72 11.156 -8.783 5.665 1.00 15.00 C ATOM 1038 NZ LYS A 72 12.166 -8.972 4.587 1.00 15.00 N ATOM 0 H LYS A 72 6.721 -6.699 7.215 1.00 15.00 H new ATOM 0 HA LYS A 72 8.272 -5.009 5.672 1.00 15.00 H new ATOM 0 HB2 LYS A 72 8.935 -6.442 7.656 1.00 15.00 H new ATOM 0 HB3 LYS A 72 8.966 -7.826 6.582 1.00 15.00 H new ATOM 0 HG2 LYS A 72 10.580 -6.170 5.177 1.00 15.00 H new ATOM 0 HG3 LYS A 72 10.865 -5.531 6.784 1.00 15.00 H new ATOM 0 HD2 LYS A 72 12.503 -7.263 6.362 1.00 15.00 H new ATOM 0 HD3 LYS A 72 11.393 -7.850 7.585 1.00 15.00 H new ATOM 0 HE2 LYS A 72 11.117 -9.677 6.287 1.00 15.00 H new ATOM 0 HE3 LYS A 72 10.168 -8.661 5.220 1.00 15.00 H new ATOM 0 HZ1 LYS A 72 11.914 -9.805 4.018 1.00 15.00 H new ATOM 0 HZ2 LYS A 72 12.185 -8.129 3.978 1.00 15.00 H new ATOM 0 HZ3 LYS A 72 13.105 -9.114 5.012 1.00 15.00 H new ATOM 1052 N GLN A 73 7.396 -7.738 4.091 1.00 15.00 N ATOM 1053 CA GLN A 73 7.377 -8.365 2.776 1.00 15.00 C ATOM 1054 C GLN A 73 6.889 -7.361 1.747 1.00 15.00 C ATOM 1055 O GLN A 73 7.540 -7.128 0.728 1.00 15.00 O ATOM 1056 CB GLN A 73 6.472 -9.595 2.775 1.00 15.00 C ATOM 1057 CG GLN A 73 7.065 -10.781 3.510 1.00 15.00 C ATOM 1058 CD GLN A 73 6.773 -12.099 2.822 1.00 15.00 C ATOM 1059 OE1 GLN A 73 6.199 -13.011 3.418 1.00 15.00 O ATOM 1060 NE2 GLN A 73 7.166 -12.206 1.558 1.00 15.00 N ATOM 0 H GLN A 73 6.810 -8.195 4.790 1.00 15.00 H new ATOM 0 HA GLN A 73 8.388 -8.686 2.525 1.00 15.00 H new ATOM 0 HB2 GLN A 73 5.517 -9.335 3.232 1.00 15.00 H new ATOM 0 HB3 GLN A 73 6.264 -9.883 1.744 1.00 15.00 H new ATOM 0 HG2 GLN A 73 8.144 -10.650 3.593 1.00 15.00 H new ATOM 0 HG3 GLN A 73 6.669 -10.810 4.525 1.00 15.00 H new ATOM 0 HE21 GLN A 73 7.638 -11.425 1.103 1.00 15.00 H new ATOM 0 HE22 GLN A 73 6.995 -13.069 1.042 1.00 15.00 H new ATOM 1069 N ALA A 74 5.749 -6.745 2.036 1.00 15.00 N ATOM 1070 CA ALA A 74 5.190 -5.739 1.150 1.00 15.00 C ATOM 1071 C ALA A 74 6.092 -4.517 1.125 1.00 15.00 C ATOM 1072 O ALA A 74 6.387 -3.973 0.064 1.00 15.00 O ATOM 1073 CB ALA A 74 3.791 -5.353 1.580 1.00 15.00 C ATOM 0 H ALA A 74 5.197 -6.926 2.875 1.00 15.00 H new ATOM 0 HA ALA A 74 5.128 -6.159 0.146 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.396 -4.598 0.900 1.00 15.00 H new ATOM 0 HB2 ALA A 74 3.148 -6.233 1.559 1.00 15.00 H new ATOM 0 HB3 ALA A 74 3.820 -4.949 2.592 1.00 15.00 H new ATOM 1079 N VAL A 75 6.553 -4.106 2.309 1.00 15.00 N ATOM 1080 CA VAL A 75 7.456 -2.966 2.427 1.00 15.00 C ATOM 1081 C VAL A 75 8.512 -3.056 1.339 1.00 15.00 C ATOM 1082 O VAL A 75 8.876 -2.062 0.711 1.00 15.00 O ATOM 1083 CB VAL A 75 8.121 -2.938 3.826 1.00 15.00 C ATOM 1084 CG1 VAL A 75 9.612 -3.247 3.760 1.00 15.00 C ATOM 1085 CG2 VAL A 75 7.888 -1.608 4.512 1.00 15.00 C ATOM 0 H VAL A 75 6.314 -4.547 3.197 1.00 15.00 H new ATOM 0 HA VAL A 75 6.889 -2.043 2.308 1.00 15.00 H new ATOM 0 HB VAL A 75 7.649 -3.724 4.416 1.00 15.00 H new ATOM 0 HG11 VAL A 75 10.035 -3.216 4.764 1.00 15.00 H new ATOM 0 HG12 VAL A 75 9.759 -4.240 3.335 1.00 15.00 H new ATOM 0 HG13 VAL A 75 10.110 -2.507 3.134 1.00 15.00 H new ATOM 0 HG21 VAL A 75 8.365 -1.615 5.492 1.00 15.00 H new ATOM 0 HG22 VAL A 75 8.314 -0.807 3.907 1.00 15.00 H new ATOM 0 HG23 VAL A 75 6.817 -1.443 4.631 1.00 15.00 H new ATOM 1095 N GLU A 76 8.969 -4.279 1.108 1.00 15.00 N ATOM 1096 CA GLU A 76 9.954 -4.541 0.077 1.00 15.00 C ATOM 1097 C GLU A 76 9.348 -4.293 -1.300 1.00 15.00 C ATOM 1098 O GLU A 76 9.961 -3.651 -2.147 1.00 15.00 O ATOM 1099 CB GLU A 76 10.461 -5.982 0.174 1.00 15.00 C ATOM 1100 CG GLU A 76 10.979 -6.355 1.553 1.00 15.00 C ATOM 1101 CD GLU A 76 12.493 -6.437 1.605 1.00 15.00 C ATOM 1102 OE1 GLU A 76 13.054 -7.409 1.057 1.00 15.00 O ATOM 1103 OE2 GLU A 76 13.117 -5.529 2.193 1.00 15.00 O ATOM 0 H GLU A 76 8.670 -5.106 1.625 1.00 15.00 H new ATOM 0 HA GLU A 76 10.797 -3.865 0.222 1.00 15.00 H new ATOM 0 HB2 GLU A 76 9.653 -6.661 -0.097 1.00 15.00 H new ATOM 0 HB3 GLU A 76 11.258 -6.128 -0.555 1.00 15.00 H new ATOM 0 HG2 GLU A 76 10.634 -5.618 2.278 1.00 15.00 H new ATOM 0 HG3 GLU A 76 10.556 -7.315 1.848 1.00 15.00 H new ATOM 1110 N THR A 77 8.134 -4.804 -1.518 1.00 15.00 N ATOM 1111 CA THR A 77 7.456 -4.626 -2.798 1.00 15.00 C ATOM 1112 C THR A 77 7.146 -3.155 -3.066 1.00 15.00 C ATOM 1113 O THR A 77 7.510 -2.620 -4.113 1.00 15.00 O ATOM 1114 CB THR A 77 6.173 -5.456 -2.857 1.00 15.00 C ATOM 1115 OG1 THR A 77 5.350 -5.199 -1.735 1.00 15.00 O ATOM 1116 CG2 THR A 77 6.429 -6.946 -2.907 1.00 15.00 C ATOM 0 H THR A 77 7.606 -5.340 -0.829 1.00 15.00 H new ATOM 0 HA THR A 77 8.134 -4.977 -3.576 1.00 15.00 H new ATOM 0 HB THR A 77 5.679 -5.154 -3.781 1.00 15.00 H new ATOM 0 HG1 THR A 77 5.815 -4.594 -1.120 1.00 15.00 H new ATOM 0 HG21 THR A 77 5.478 -7.477 -2.948 1.00 15.00 H new ATOM 0 HG22 THR A 77 7.016 -7.185 -3.794 1.00 15.00 H new ATOM 0 HG23 THR A 77 6.977 -7.251 -2.016 1.00 15.00 H new ATOM 1124 N LEU A 78 6.474 -2.500 -2.117 1.00 15.00 N ATOM 1125 CA LEU A 78 6.127 -1.088 -2.271 1.00 15.00 C ATOM 1126 C LEU A 78 7.374 -0.274 -2.581 1.00 15.00 C ATOM 1127 O LEU A 78 7.395 0.531 -3.512 1.00 15.00 O ATOM 1128 CB LEU A 78 5.463 -0.540 -1.001 1.00 15.00 C ATOM 1129 CG LEU A 78 4.524 -1.504 -0.273 1.00 15.00 C ATOM 1130 CD1 LEU A 78 3.746 -0.772 0.810 1.00 15.00 C ATOM 1131 CD2 LEU A 78 3.572 -2.169 -1.254 1.00 15.00 C ATOM 0 H LEU A 78 6.162 -2.921 -1.242 1.00 15.00 H new ATOM 0 HA LEU A 78 5.420 -1.005 -3.097 1.00 15.00 H new ATOM 0 HB2 LEU A 78 6.246 -0.232 -0.308 1.00 15.00 H new ATOM 0 HB3 LEU A 78 4.901 0.356 -1.265 1.00 15.00 H new ATOM 0 HG LEU A 78 5.127 -2.280 0.198 1.00 15.00 H new ATOM 0 HD11 LEU A 78 3.083 -1.472 1.318 1.00 15.00 H new ATOM 0 HD12 LEU A 78 4.442 -0.343 1.531 1.00 15.00 H new ATOM 0 HD13 LEU A 78 3.155 0.025 0.358 1.00 15.00 H new ATOM 0 HD21 LEU A 78 2.913 -2.851 -0.716 1.00 15.00 H new ATOM 0 HD22 LEU A 78 2.975 -1.407 -1.755 1.00 15.00 H new ATOM 0 HD23 LEU A 78 4.144 -2.727 -1.995 1.00 15.00 H new ATOM 1143 N ARG A 79 8.412 -0.501 -1.790 1.00 15.00 N ATOM 1144 CA ARG A 79 9.678 0.192 -1.962 1.00 15.00 C ATOM 1145 C ARG A 79 10.363 -0.246 -3.255 1.00 15.00 C ATOM 1146 O ARG A 79 10.663 0.577 -4.120 1.00 15.00 O ATOM 1147 CB ARG A 79 10.584 -0.087 -0.762 1.00 15.00 C ATOM 1148 CG ARG A 79 11.577 1.028 -0.473 1.00 15.00 C ATOM 1149 CD ARG A 79 11.142 1.868 0.716 1.00 15.00 C ATOM 1150 NE ARG A 79 12.282 2.419 1.444 1.00 15.00 N ATOM 1151 CZ ARG A 79 13.008 1.726 2.318 1.00 15.00 C ATOM 1152 NH1 ARG A 79 12.717 0.457 2.574 1.00 15.00 N ATOM 1153 NH2 ARG A 79 14.029 2.304 2.937 1.00 15.00 N ATOM 0 H ARG A 79 8.400 -1.166 -1.017 1.00 15.00 H new ATOM 0 HA ARG A 79 9.486 1.263 -2.026 1.00 15.00 H new ATOM 0 HB2 ARG A 79 9.964 -0.247 0.120 1.00 15.00 H new ATOM 0 HB3 ARG A 79 11.132 -1.013 -0.939 1.00 15.00 H new ATOM 0 HG2 ARG A 79 12.560 0.599 -0.277 1.00 15.00 H new ATOM 0 HG3 ARG A 79 11.677 1.664 -1.352 1.00 15.00 H new ATOM 0 HD2 ARG A 79 10.505 2.682 0.371 1.00 15.00 H new ATOM 0 HD3 ARG A 79 10.542 1.258 1.391 1.00 15.00 H new ATOM 0 HE ARG A 79 12.537 3.392 1.273 1.00 15.00 H new ATOM 0 HH11 ARG A 79 11.933 0.008 2.100 1.00 15.00 H new ATOM 0 HH12 ARG A 79 13.277 -0.069 3.245 1.00 15.00 H new ATOM 0 HH21 ARG A 79 14.257 3.279 2.743 1.00 15.00 H new ATOM 0 HH22 ARG A 79 14.586 1.773 3.607 1.00 15.00 H new ATOM 1167 N ASN A 80 10.610 -1.548 -3.371 1.00 15.00 N ATOM 1168 CA ASN A 80 11.262 -2.114 -4.549 1.00 15.00 C ATOM 1169 C ASN A 80 10.400 -1.977 -5.805 1.00 15.00 C ATOM 1170 O ASN A 80 10.014 -2.977 -6.411 1.00 15.00 O ATOM 1171 CB ASN A 80 11.595 -3.588 -4.311 1.00 15.00 C ATOM 1172 CG ASN A 80 12.506 -3.789 -3.116 1.00 15.00 C ATOM 1173 OD1 ASN A 80 13.172 -2.857 -2.665 1.00 15.00 O ATOM 1174 ND2 ASN A 80 12.540 -5.010 -2.596 1.00 15.00 N ATOM 0 H ASN A 80 10.366 -2.236 -2.658 1.00 15.00 H new ATOM 0 HA ASN A 80 12.180 -1.550 -4.712 1.00 15.00 H new ATOM 0 HB2 ASN A 80 10.671 -4.146 -4.158 1.00 15.00 H new ATOM 0 HB3 ASN A 80 12.072 -3.998 -5.201 1.00 15.00 H new ATOM 0 HD21 ASN A 80 13.135 -5.205 -1.791 1.00 15.00 H new ATOM 0 HD22 ASN A 80 11.971 -5.753 -3.002 1.00 15.00 H new ATOM 1181 N THR A 81 10.116 -0.744 -6.206 1.00 15.00 N ATOM 1182 CA THR A 81 9.319 -0.503 -7.404 1.00 15.00 C ATOM 1183 C THR A 81 10.240 -0.266 -8.599 1.00 15.00 C ATOM 1184 O THR A 81 10.401 -1.140 -9.452 1.00 15.00 O ATOM 1185 CB THR A 81 8.378 0.690 -7.200 1.00 15.00 C ATOM 1186 OG1 THR A 81 8.730 1.415 -6.035 1.00 15.00 O ATOM 1187 CG2 THR A 81 6.920 0.289 -7.067 1.00 15.00 C ATOM 0 H THR A 81 10.423 0.100 -5.723 1.00 15.00 H new ATOM 0 HA THR A 81 8.706 -1.382 -7.601 1.00 15.00 H new ATOM 0 HB THR A 81 8.491 1.301 -8.095 1.00 15.00 H new ATOM 0 HG1 THR A 81 8.255 1.044 -5.263 1.00 15.00 H new ATOM 0 HG21 THR A 81 6.309 1.180 -6.925 1.00 15.00 H new ATOM 0 HG22 THR A 81 6.601 -0.229 -7.971 1.00 15.00 H new ATOM 0 HG23 THR A 81 6.801 -0.373 -6.209 1.00 15.00 H new ATOM 1195 N GLY A 82 10.862 0.910 -8.644 1.00 15.00 N ATOM 1196 CA GLY A 82 11.778 1.223 -9.723 1.00 15.00 C ATOM 1197 C GLY A 82 11.299 2.358 -10.604 1.00 15.00 C ATOM 1198 O GLY A 82 11.433 3.531 -10.254 1.00 15.00 O ATOM 0 H GLY A 82 10.747 1.650 -7.952 1.00 15.00 H new ATOM 0 HA2 GLY A 82 12.749 1.484 -9.302 1.00 15.00 H new ATOM 0 HA3 GLY A 82 11.925 0.333 -10.336 1.00 15.00 H new ATOM 1202 N GLN A 83 10.756 2.002 -11.757 1.00 15.00 N ATOM 1203 CA GLN A 83 10.265 2.989 -12.716 1.00 15.00 C ATOM 1204 C GLN A 83 9.085 3.782 -12.151 1.00 15.00 C ATOM 1205 O GLN A 83 9.267 4.862 -11.590 1.00 15.00 O ATOM 1206 CB GLN A 83 9.870 2.315 -14.039 1.00 15.00 C ATOM 1207 CG GLN A 83 9.289 0.917 -13.878 1.00 15.00 C ATOM 1208 CD GLN A 83 8.082 0.682 -14.766 1.00 15.00 C ATOM 1209 OE1 GLN A 83 7.447 1.628 -15.233 1.00 15.00 O ATOM 1210 NE2 GLN A 83 7.758 -0.584 -15.002 1.00 15.00 N ATOM 0 H GLN A 83 10.642 1.033 -12.056 1.00 15.00 H new ATOM 0 HA GLN A 83 11.078 3.689 -12.909 1.00 15.00 H new ATOM 0 HB2 GLN A 83 9.140 2.943 -14.550 1.00 15.00 H new ATOM 0 HB3 GLN A 83 10.748 2.259 -14.682 1.00 15.00 H new ATOM 0 HG2 GLN A 83 10.057 0.179 -14.112 1.00 15.00 H new ATOM 0 HG3 GLN A 83 9.005 0.763 -12.837 1.00 15.00 H new ATOM 0 HE21 GLN A 83 8.312 -1.337 -14.594 1.00 15.00 H new ATOM 0 HE22 GLN A 83 6.955 -0.804 -15.591 1.00 15.00 H new ATOM 1219 N VAL A 84 7.879 3.244 -12.309 1.00 15.00 N ATOM 1220 CA VAL A 84 6.673 3.899 -11.819 1.00 15.00 C ATOM 1221 C VAL A 84 6.082 3.131 -10.639 1.00 15.00 C ATOM 1222 O VAL A 84 6.354 1.944 -10.455 1.00 15.00 O ATOM 1223 CB VAL A 84 5.619 4.026 -12.941 1.00 15.00 C ATOM 1224 CG1 VAL A 84 4.291 4.538 -12.399 1.00 15.00 C ATOM 1225 CG2 VAL A 84 6.131 4.942 -14.040 1.00 15.00 C ATOM 0 H VAL A 84 7.712 2.352 -12.775 1.00 15.00 H new ATOM 0 HA VAL A 84 6.951 4.899 -11.486 1.00 15.00 H new ATOM 0 HB VAL A 84 5.448 3.033 -13.357 1.00 15.00 H new ATOM 0 HG11 VAL A 84 3.571 4.616 -13.214 1.00 15.00 H new ATOM 0 HG12 VAL A 84 3.914 3.845 -11.647 1.00 15.00 H new ATOM 0 HG13 VAL A 84 4.436 5.520 -11.948 1.00 15.00 H new ATOM 0 HG21 VAL A 84 5.379 5.024 -14.825 1.00 15.00 H new ATOM 0 HG22 VAL A 84 6.332 5.930 -13.626 1.00 15.00 H new ATOM 0 HG23 VAL A 84 7.049 4.530 -14.458 1.00 15.00 H new ATOM 1235 N VAL A 85 5.263 3.809 -9.849 1.00 15.00 N ATOM 1236 CA VAL A 85 4.633 3.185 -8.699 1.00 15.00 C ATOM 1237 C VAL A 85 3.217 2.738 -9.051 1.00 15.00 C ATOM 1238 O VAL A 85 2.243 3.443 -8.788 1.00 15.00 O ATOM 1239 CB VAL A 85 4.607 4.149 -7.487 1.00 15.00 C ATOM 1240 CG1 VAL A 85 3.506 3.787 -6.499 1.00 15.00 C ATOM 1241 CG2 VAL A 85 5.961 4.163 -6.794 1.00 15.00 C ATOM 0 H VAL A 85 5.020 4.790 -9.984 1.00 15.00 H new ATOM 0 HA VAL A 85 5.222 2.310 -8.422 1.00 15.00 H new ATOM 0 HB VAL A 85 4.391 5.148 -7.865 1.00 15.00 H new ATOM 0 HG11 VAL A 85 3.522 4.487 -5.664 1.00 15.00 H new ATOM 0 HG12 VAL A 85 2.538 3.839 -6.998 1.00 15.00 H new ATOM 0 HG13 VAL A 85 3.669 2.775 -6.127 1.00 15.00 H new ATOM 0 HG21 VAL A 85 5.928 4.845 -5.944 1.00 15.00 H new ATOM 0 HG22 VAL A 85 6.201 3.159 -6.444 1.00 15.00 H new ATOM 0 HG23 VAL A 85 6.726 4.495 -7.496 1.00 15.00 H new ATOM 1251 N HIS A 86 3.118 1.557 -9.651 1.00 15.00 N ATOM 1252 CA HIS A 86 1.828 0.998 -10.041 1.00 15.00 C ATOM 1253 C HIS A 86 1.390 -0.064 -9.041 1.00 15.00 C ATOM 1254 O HIS A 86 1.618 -1.256 -9.243 1.00 15.00 O ATOM 1255 CB HIS A 86 1.910 0.397 -11.444 1.00 15.00 C ATOM 1256 CG HIS A 86 0.573 0.159 -12.075 1.00 15.00 C ATOM 1257 ND1 HIS A 86 -0.526 0.956 -11.834 1.00 15.00 N ATOM 1258 CD2 HIS A 86 0.161 -0.793 -12.945 1.00 15.00 C ATOM 1259 CE1 HIS A 86 -1.556 0.504 -12.527 1.00 15.00 C ATOM 1260 NE2 HIS A 86 -1.165 -0.556 -13.210 1.00 15.00 N ATOM 0 H HIS A 86 3.918 0.966 -9.879 1.00 15.00 H new ATOM 0 HA HIS A 86 1.090 1.800 -10.048 1.00 15.00 H new ATOM 0 HB2 HIS A 86 2.490 1.064 -12.082 1.00 15.00 H new ATOM 0 HB3 HIS A 86 2.452 -0.547 -11.394 1.00 15.00 H new ATOM 0 HD2 HIS A 86 0.763 -1.590 -13.354 1.00 15.00 H new ATOM 0 HE1 HIS A 86 -2.549 0.929 -12.534 1.00 15.00 H new ATOM 0 HE2 HIS A 86 -1.753 -1.109 -13.834 1.00 15.00 H new ATOM 1269 N LEU A 87 0.776 0.383 -7.954 1.00 15.00 N ATOM 1270 CA LEU A 87 0.320 -0.517 -6.905 1.00 15.00 C ATOM 1271 C LEU A 87 -1.189 -0.726 -6.954 1.00 15.00 C ATOM 1272 O LEU A 87 -1.955 0.232 -6.959 1.00 15.00 O ATOM 1273 CB LEU A 87 0.716 0.041 -5.538 1.00 15.00 C ATOM 1274 CG LEU A 87 1.698 -0.819 -4.752 1.00 15.00 C ATOM 1275 CD1 LEU A 87 2.813 0.035 -4.166 1.00 15.00 C ATOM 1276 CD2 LEU A 87 0.970 -1.578 -3.656 1.00 15.00 C ATOM 0 H LEU A 87 0.582 1.368 -7.776 1.00 15.00 H new ATOM 0 HA LEU A 87 0.797 -1.484 -7.066 1.00 15.00 H new ATOM 0 HB2 LEU A 87 1.153 1.029 -5.679 1.00 15.00 H new ATOM 0 HB3 LEU A 87 -0.186 0.174 -4.941 1.00 15.00 H new ATOM 0 HG LEU A 87 2.149 -1.541 -5.433 1.00 15.00 H new ATOM 0 HD11 LEU A 87 3.503 -0.599 -3.609 1.00 15.00 H new ATOM 0 HD12 LEU A 87 3.350 0.535 -4.972 1.00 15.00 H new ATOM 0 HD13 LEU A 87 2.386 0.782 -3.497 1.00 15.00 H new ATOM 0 HD21 LEU A 87 1.682 -2.189 -3.102 1.00 15.00 H new ATOM 0 HD22 LEU A 87 0.494 -0.870 -2.978 1.00 15.00 H new ATOM 0 HD23 LEU A 87 0.210 -2.221 -4.101 1.00 15.00 H new ATOM 1288 N LEU A 88 -1.610 -1.985 -6.966 1.00 15.00 N ATOM 1289 CA LEU A 88 -3.030 -2.315 -6.986 1.00 15.00 C ATOM 1290 C LEU A 88 -3.477 -2.735 -5.593 1.00 15.00 C ATOM 1291 O LEU A 88 -3.224 -3.858 -5.159 1.00 15.00 O ATOM 1292 CB LEU A 88 -3.308 -3.429 -7.997 1.00 15.00 C ATOM 1293 CG LEU A 88 -3.526 -2.958 -9.437 1.00 15.00 C ATOM 1294 CD1 LEU A 88 -2.528 -1.869 -9.805 1.00 15.00 C ATOM 1295 CD2 LEU A 88 -3.417 -4.130 -10.401 1.00 15.00 C ATOM 0 H LEU A 88 -0.989 -2.794 -6.962 1.00 15.00 H new ATOM 0 HA LEU A 88 -3.595 -1.434 -7.290 1.00 15.00 H new ATOM 0 HB2 LEU A 88 -2.472 -4.129 -7.982 1.00 15.00 H new ATOM 0 HB3 LEU A 88 -4.191 -3.980 -7.674 1.00 15.00 H new ATOM 0 HG LEU A 88 -4.530 -2.539 -9.512 1.00 15.00 H new ATOM 0 HD11 LEU A 88 -2.701 -1.549 -10.833 1.00 15.00 H new ATOM 0 HD12 LEU A 88 -2.653 -1.019 -9.134 1.00 15.00 H new ATOM 0 HD13 LEU A 88 -1.514 -2.258 -9.712 1.00 15.00 H new ATOM 0 HD21 LEU A 88 -3.575 -3.778 -11.421 1.00 15.00 H new ATOM 0 HD22 LEU A 88 -2.426 -4.577 -10.320 1.00 15.00 H new ATOM 0 HD23 LEU A 88 -4.172 -4.876 -10.154 1.00 15.00 H new ATOM 1307 N LEU A 89 -4.118 -1.814 -4.888 1.00 15.00 N ATOM 1308 CA LEU A 89 -4.574 -2.071 -3.529 1.00 15.00 C ATOM 1309 C LEU A 89 -6.083 -2.274 -3.466 1.00 15.00 C ATOM 1310 O LEU A 89 -6.738 -2.532 -4.476 1.00 15.00 O ATOM 1311 CB LEU A 89 -4.184 -0.911 -2.609 1.00 15.00 C ATOM 1312 CG LEU A 89 -3.173 0.069 -3.191 1.00 15.00 C ATOM 1313 CD1 LEU A 89 -3.064 1.303 -2.316 1.00 15.00 C ATOM 1314 CD2 LEU A 89 -1.827 -0.607 -3.338 1.00 15.00 C ATOM 0 H LEU A 89 -4.335 -0.880 -5.235 1.00 15.00 H new ATOM 0 HA LEU A 89 -4.090 -2.989 -3.196 1.00 15.00 H new ATOM 0 HB2 LEU A 89 -5.087 -0.361 -2.342 1.00 15.00 H new ATOM 0 HB3 LEU A 89 -3.777 -1.322 -1.685 1.00 15.00 H new ATOM 0 HG LEU A 89 -3.514 0.385 -4.177 1.00 15.00 H new ATOM 0 HD11 LEU A 89 -2.337 1.992 -2.747 1.00 15.00 H new ATOM 0 HD12 LEU A 89 -4.036 1.792 -2.255 1.00 15.00 H new ATOM 0 HD13 LEU A 89 -2.740 1.013 -1.316 1.00 15.00 H new ATOM 0 HD21 LEU A 89 -1.109 0.099 -3.755 1.00 15.00 H new ATOM 0 HD22 LEU A 89 -1.480 -0.943 -2.361 1.00 15.00 H new ATOM 0 HD23 LEU A 89 -1.921 -1.464 -4.004 1.00 15.00 H new ATOM 1326 N GLU A 90 -6.619 -2.136 -2.259 1.00 15.00 N ATOM 1327 CA GLU A 90 -8.049 -2.279 -2.019 1.00 15.00 C ATOM 1328 C GLU A 90 -8.505 -1.260 -0.978 1.00 15.00 C ATOM 1329 O GLU A 90 -7.845 -1.066 0.043 1.00 15.00 O ATOM 1330 CB GLU A 90 -8.371 -3.710 -1.563 1.00 15.00 C ATOM 1331 CG GLU A 90 -9.495 -3.807 -0.540 1.00 15.00 C ATOM 1332 CD GLU A 90 -9.848 -5.240 -0.196 1.00 15.00 C ATOM 1333 OE1 GLU A 90 -8.945 -5.986 0.240 1.00 15.00 O ATOM 1334 OE2 GLU A 90 -11.026 -5.618 -0.363 1.00 15.00 O ATOM 0 H GLU A 90 -6.076 -1.923 -1.422 1.00 15.00 H new ATOM 0 HA GLU A 90 -8.588 -2.090 -2.947 1.00 15.00 H new ATOM 0 HB2 GLU A 90 -8.639 -4.305 -2.436 1.00 15.00 H new ATOM 0 HB3 GLU A 90 -7.471 -4.154 -1.139 1.00 15.00 H new ATOM 0 HG2 GLU A 90 -9.201 -3.281 0.368 1.00 15.00 H new ATOM 0 HG3 GLU A 90 -10.379 -3.302 -0.928 1.00 15.00 H new ATOM 1341 N LYS A 91 -9.632 -0.606 -1.243 1.00 15.00 N ATOM 1342 CA LYS A 91 -10.167 0.398 -0.328 1.00 15.00 C ATOM 1343 C LYS A 91 -10.177 -0.115 1.109 1.00 15.00 C ATOM 1344 O LYS A 91 -11.025 -0.923 1.486 1.00 15.00 O ATOM 1345 CB LYS A 91 -11.580 0.801 -0.748 1.00 15.00 C ATOM 1346 CG LYS A 91 -12.016 2.146 -0.190 1.00 15.00 C ATOM 1347 CD LYS A 91 -11.385 3.298 -0.957 1.00 15.00 C ATOM 1348 CE LYS A 91 -10.782 4.329 -0.017 1.00 15.00 C ATOM 1349 NZ LYS A 91 -10.191 5.477 -0.757 1.00 15.00 N ATOM 0 H LYS A 91 -10.192 -0.753 -2.083 1.00 15.00 H new ATOM 0 HA LYS A 91 -9.518 1.272 -0.374 1.00 15.00 H new ATOM 0 HB2 LYS A 91 -11.632 0.834 -1.836 1.00 15.00 H new ATOM 0 HB3 LYS A 91 -12.281 0.035 -0.418 1.00 15.00 H new ATOM 0 HG2 LYS A 91 -13.102 2.227 -0.239 1.00 15.00 H new ATOM 0 HG3 LYS A 91 -11.738 2.212 0.862 1.00 15.00 H new ATOM 0 HD2 LYS A 91 -10.611 2.914 -1.622 1.00 15.00 H new ATOM 0 HD3 LYS A 91 -12.138 3.774 -1.586 1.00 15.00 H new ATOM 0 HE2 LYS A 91 -11.551 4.693 0.664 1.00 15.00 H new ATOM 0 HE3 LYS A 91 -10.013 3.857 0.594 1.00 15.00 H new ATOM 0 HZ1 LYS A 91 -9.791 6.157 -0.080 1.00 15.00 H new ATOM 0 HZ2 LYS A 91 -9.439 5.133 -1.388 1.00 15.00 H new ATOM 0 HZ3 LYS A 91 -10.930 5.944 -1.321 1.00 15.00 H new ATOM 1363 N GLY A 92 -9.226 0.363 1.905 1.00 15.00 N ATOM 1364 CA GLY A 92 -9.138 -0.056 3.292 1.00 15.00 C ATOM 1365 C GLY A 92 -10.271 0.493 4.137 1.00 15.00 C ATOM 1366 O GLY A 92 -10.081 1.437 4.904 1.00 15.00 O ATOM 0 H GLY A 92 -8.514 1.033 1.614 1.00 15.00 H new ATOM 0 HA2 GLY A 92 -9.147 -1.145 3.341 1.00 15.00 H new ATOM 0 HA3 GLY A 92 -8.186 0.273 3.708 1.00 15.00 H new ATOM 1370 N GLN A 93 -11.452 -0.101 3.998 1.00 15.00 N ATOM 1371 CA GLN A 93 -12.620 0.333 4.755 1.00 15.00 C ATOM 1372 C GLN A 93 -12.594 -0.238 6.169 1.00 15.00 C ATOM 1373 O GLN A 93 -12.575 -1.455 6.357 1.00 15.00 O ATOM 1374 CB GLN A 93 -13.904 -0.094 4.042 1.00 15.00 C ATOM 1375 CG GLN A 93 -15.165 0.484 4.663 1.00 15.00 C ATOM 1376 CD GLN A 93 -16.052 1.176 3.645 1.00 15.00 C ATOM 1377 OE1 GLN A 93 -16.958 0.566 3.078 1.00 15.00 O ATOM 1378 NE2 GLN A 93 -15.793 2.457 3.409 1.00 15.00 N ATOM 0 H GLN A 93 -11.625 -0.884 3.368 1.00 15.00 H new ATOM 0 HA GLN A 93 -12.596 1.421 4.822 1.00 15.00 H new ATOM 0 HB2 GLN A 93 -13.849 0.213 2.998 1.00 15.00 H new ATOM 0 HB3 GLN A 93 -13.970 -1.182 4.051 1.00 15.00 H new ATOM 0 HG2 GLN A 93 -15.727 -0.315 5.146 1.00 15.00 H new ATOM 0 HG3 GLN A 93 -14.889 1.195 5.442 1.00 15.00 H new ATOM 0 HE21 GLN A 93 -15.031 2.923 3.903 1.00 15.00 H new ATOM 0 HE22 GLN A 93 -16.356 2.975 2.734 1.00 15.00 H new ATOM 1387 N SER A 94 -12.593 0.647 7.160 1.00 15.00 N ATOM 1388 CA SER A 94 -12.570 0.231 8.557 1.00 15.00 C ATOM 1389 C SER A 94 -13.951 -0.233 9.012 1.00 15.00 C ATOM 1390 O SER A 94 -14.971 0.243 8.512 1.00 15.00 O ATOM 1391 CB SER A 94 -12.087 1.379 9.445 1.00 15.00 C ATOM 1392 OG SER A 94 -11.519 0.890 10.648 1.00 15.00 O ATOM 0 H SER A 94 -12.608 1.657 7.021 1.00 15.00 H new ATOM 0 HA SER A 94 -11.878 -0.606 8.648 1.00 15.00 H new ATOM 0 HB2 SER A 94 -11.349 1.974 8.906 1.00 15.00 H new ATOM 0 HB3 SER A 94 -12.922 2.040 9.676 1.00 15.00 H new ATOM 0 HG SER A 94 -11.217 1.643 11.197 1.00 15.00 H new ATOM 1398 N PRO A 95 -14.002 -1.173 9.971 1.00 15.00 N ATOM 1399 CA PRO A 95 -15.267 -1.700 10.494 1.00 15.00 C ATOM 1400 C PRO A 95 -16.222 -0.592 10.924 1.00 15.00 C ATOM 1401 O PRO A 95 -17.440 -0.774 10.923 1.00 15.00 O ATOM 1402 CB PRO A 95 -14.833 -2.531 11.703 1.00 15.00 C ATOM 1403 CG PRO A 95 -13.430 -2.931 11.403 1.00 15.00 C ATOM 1404 CD PRO A 95 -12.833 -1.793 10.622 1.00 15.00 C ATOM 0 HA PRO A 95 -15.813 -2.270 9.742 1.00 15.00 H new ATOM 0 HB2 PRO A 95 -14.891 -1.951 12.624 1.00 15.00 H new ATOM 0 HB3 PRO A 95 -15.474 -3.403 11.835 1.00 15.00 H new ATOM 0 HG2 PRO A 95 -12.870 -3.110 12.321 1.00 15.00 H new ATOM 0 HG3 PRO A 95 -13.403 -3.856 10.827 1.00 15.00 H new ATOM 0 HD2 PRO A 95 -12.315 -1.088 11.272 1.00 15.00 H new ATOM 0 HD3 PRO A 95 -12.106 -2.146 9.890 1.00 15.00 H new ATOM 1412 N THR A 96 -15.662 0.556 11.292 1.00 15.00 N ATOM 1413 CA THR A 96 -16.465 1.694 11.725 1.00 15.00 C ATOM 1414 C THR A 96 -16.870 2.558 10.535 1.00 15.00 C ATOM 1415 O THR A 96 -16.200 2.468 9.485 1.00 15.00 O ATOM 1416 CB THR A 96 -15.690 2.535 12.740 1.00 15.00 C ATOM 1417 OG1 THR A 96 -14.521 3.078 12.152 1.00 15.00 O ATOM 1418 CG2 THR A 96 -15.267 1.754 13.966 1.00 15.00 C ATOM 1419 OXT THR A 96 -17.854 3.316 10.663 1.00 15.00 O ATOM 0 H THR A 96 -14.656 0.723 11.299 1.00 15.00 H new ATOM 0 HA THR A 96 -17.369 1.310 12.197 1.00 15.00 H new ATOM 0 HB THR A 96 -16.378 3.321 13.050 1.00 15.00 H new ATOM 0 HG1 THR A 96 -14.040 3.614 12.816 1.00 15.00 H new ATOM 0 HG21 THR A 96 -14.722 2.410 14.645 1.00 15.00 H new ATOM 0 HG22 THR A 96 -16.150 1.362 14.471 1.00 15.00 H new ATOM 0 HG23 THR A 96 -14.624 0.927 13.666 1.00 15.00 H new TER 1427 THR A 96