USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 711 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 36 ASN : amide:sc= -2.05! C(o=-7.2!,f=-9.4!) USER MOD Set 1.2: A 37 ASN : amide:sc= -5.1! C(o=-7.2!,f=-13!) USER MOD Single : A 3 GLN : amide:sc= -3.38! C(o=-3.4!,f=-6.1!) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0455) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -1.48 X(o=-1.5,f=-1.3) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 167:sc= -1.98! USER MOD Single : A 22 HIS : no HD1:sc= -1.58 K(o=-1.6,f=-3.3) USER MOD Single : A 24 LYS NZ :NH3+ -139:sc= -0.208 (180deg=-1.47!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -142:sc= 1.23 (180deg=-0.145) USER MOD Single : A 30 ASN : amide:sc= -1.52! C(o=-1.5!,f=-6.6!) USER MOD Single : A 35 LYS NZ :NH3+ -163:sc= -1.95 (180deg=-2.56) USER MOD Single : A 45 ASN :FLIP amide:sc= -4.32! C(o=-5.5!,f=-4.3!) USER MOD Single : A 50 ASN : amide:sc= -0.022 K(o=-0.022,f=-0.79) USER MOD Single : A 51 SER OG : rot -66:sc= 0.00112! USER MOD Single : A 53 ASN :FLIP amide:sc= -4.89 F(o=-11!,f=-4.9) USER MOD Single : A 55 ASN : amide:sc= -0.0952 K(o=-0.095,f=-0.86) USER MOD Single : A 56 SER OG : rot 123:sc= 0.931 USER MOD Single : A 60 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-2.2!) USER MOD Single : A 64 SER OG : rot -82:sc= 0.254 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -174:sc= -2.71! (180deg=-2.85) USER MOD Single : A 71 SER OG : rot 180:sc= -0.408 USER MOD Single : A 73 ASN : amide:sc= -1.64! C(o=-1.6!,f=-10!) USER MOD Single : A 76 ASN : amide:sc= -0.024 K(o=-0.024,f=-2) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 ASN :FLIP amide:sc= -0.628 F(o=-1.6,f=-0.63) USER MOD Single : A 86 LYS NZ :NH3+ -145:sc= 1.29 (180deg=0.42) USER MOD ----------------------------------------------------------------- ATOM 18 N GLU A 2 -11.647 12.078 -6.840 1.00 0.00 N ATOM 19 CA GLU A 2 -11.784 11.131 -5.739 1.00 0.00 C ATOM 20 C GLU A 2 -10.663 10.099 -5.775 1.00 0.00 C ATOM 21 O GLU A 2 -10.741 9.063 -5.117 1.00 0.00 O ATOM 22 CB GLU A 2 -13.135 10.420 -5.828 1.00 0.00 C ATOM 23 CG GLU A 2 -14.261 11.441 -5.664 1.00 0.00 C ATOM 24 CD GLU A 2 -15.584 10.726 -5.407 1.00 0.00 C ATOM 25 OE1 GLU A 2 -16.572 11.115 -6.008 1.00 0.00 O ATOM 26 OE2 GLU A 2 -15.590 9.800 -4.613 1.00 0.00 O ATOM 0 HA GLU A 2 -11.723 11.683 -4.801 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.228 9.912 -6.788 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -13.207 9.656 -5.054 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -14.035 12.113 -4.836 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -14.339 12.055 -6.561 1.00 0.00 H new ATOM 33 N GLN A 3 -9.625 10.388 -6.552 1.00 0.00 N ATOM 34 CA GLN A 3 -8.488 9.476 -6.674 1.00 0.00 C ATOM 35 C GLN A 3 -8.062 8.957 -5.303 1.00 0.00 C ATOM 36 O GLN A 3 -8.336 7.809 -4.952 1.00 0.00 O ATOM 37 CB GLN A 3 -7.315 10.199 -7.353 1.00 0.00 C ATOM 38 CG GLN A 3 -6.541 9.217 -8.241 1.00 0.00 C ATOM 39 CD GLN A 3 -7.260 9.038 -9.576 1.00 0.00 C ATOM 40 OE1 GLN A 3 -7.348 7.923 -10.088 1.00 0.00 O ATOM 41 NE2 GLN A 3 -7.781 10.076 -10.172 1.00 0.00 N ATOM 0 H GLN A 3 -9.545 11.241 -7.105 1.00 0.00 H new ATOM 0 HA GLN A 3 -8.788 8.624 -7.284 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -7.687 11.030 -7.953 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -6.651 10.622 -6.599 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -5.530 9.587 -8.410 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -6.448 8.255 -7.737 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -7.707 11.000 -9.745 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -8.262 9.963 -11.064 1.00 0.00 H new ATOM 50 N PHE A 4 -7.400 9.809 -4.526 1.00 0.00 N ATOM 51 CA PHE A 4 -6.956 9.421 -3.194 1.00 0.00 C ATOM 52 C PHE A 4 -8.062 8.653 -2.484 1.00 0.00 C ATOM 53 O PHE A 4 -7.841 7.560 -1.963 1.00 0.00 O ATOM 54 CB PHE A 4 -6.595 10.670 -2.382 1.00 0.00 C ATOM 55 CG PHE A 4 -5.943 11.692 -3.288 1.00 0.00 C ATOM 56 CD1 PHE A 4 -6.390 13.019 -3.283 1.00 0.00 C ATOM 57 CD2 PHE A 4 -4.891 11.311 -4.130 1.00 0.00 C ATOM 58 CE1 PHE A 4 -5.786 13.965 -4.121 1.00 0.00 C ATOM 59 CE2 PHE A 4 -4.288 12.258 -4.968 1.00 0.00 C ATOM 60 CZ PHE A 4 -4.735 13.584 -4.962 1.00 0.00 C ATOM 0 H PHE A 4 -7.161 10.764 -4.794 1.00 0.00 H new ATOM 0 HA PHE A 4 -6.076 8.784 -3.284 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -7.491 11.092 -1.926 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.919 10.405 -1.569 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -7.201 13.313 -2.633 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.545 10.288 -4.133 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -6.132 14.988 -4.118 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -3.478 11.964 -5.619 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.268 14.314 -5.607 1.00 0.00 H new ATOM 70 N ASN A 5 -9.251 9.234 -2.474 1.00 0.00 N ATOM 71 CA ASN A 5 -10.391 8.597 -1.830 1.00 0.00 C ATOM 72 C ASN A 5 -10.678 7.240 -2.470 1.00 0.00 C ATOM 73 O ASN A 5 -11.234 6.348 -1.831 1.00 0.00 O ATOM 74 CB ASN A 5 -11.626 9.496 -1.950 1.00 0.00 C ATOM 75 CG ASN A 5 -12.660 9.109 -0.897 1.00 0.00 C ATOM 76 OD1 ASN A 5 -13.370 8.117 -1.057 1.00 0.00 O ATOM 77 ND2 ASN A 5 -12.785 9.840 0.178 1.00 0.00 N ATOM 0 H ASN A 5 -9.452 10.138 -2.901 1.00 0.00 H new ATOM 0 HA ASN A 5 -10.155 8.445 -0.777 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -11.339 10.540 -1.823 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -12.058 9.403 -2.946 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -13.473 9.589 0.888 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -12.195 10.662 0.307 1.00 0.00 H new ATOM 84 N ALA A 6 -10.300 7.097 -3.737 1.00 0.00 N ATOM 85 CA ALA A 6 -10.530 5.850 -4.457 1.00 0.00 C ATOM 86 C ALA A 6 -9.467 4.809 -4.106 1.00 0.00 C ATOM 87 O ALA A 6 -9.785 3.737 -3.589 1.00 0.00 O ATOM 88 CB ALA A 6 -10.517 6.112 -5.963 1.00 0.00 C ATOM 0 H ALA A 6 -9.837 7.824 -4.282 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.504 5.459 -4.161 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -10.689 5.177 -6.496 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -11.303 6.824 -6.215 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.549 6.522 -6.253 1.00 0.00 H new ATOM 94 N PHE A 7 -8.209 5.131 -4.387 1.00 0.00 N ATOM 95 CA PHE A 7 -7.117 4.210 -4.092 1.00 0.00 C ATOM 96 C PHE A 7 -7.042 3.939 -2.591 1.00 0.00 C ATOM 97 O PHE A 7 -6.887 2.796 -2.164 1.00 0.00 O ATOM 98 CB PHE A 7 -5.787 4.790 -4.604 1.00 0.00 C ATOM 99 CG PHE A 7 -4.676 4.511 -3.615 1.00 0.00 C ATOM 100 CD1 PHE A 7 -4.128 5.558 -2.863 1.00 0.00 C ATOM 101 CD2 PHE A 7 -4.196 3.207 -3.451 1.00 0.00 C ATOM 102 CE1 PHE A 7 -3.100 5.299 -1.949 1.00 0.00 C ATOM 103 CE2 PHE A 7 -3.168 2.948 -2.537 1.00 0.00 C ATOM 104 CZ PHE A 7 -2.620 3.994 -1.786 1.00 0.00 C ATOM 0 H PHE A 7 -7.922 6.012 -4.814 1.00 0.00 H new ATOM 0 HA PHE A 7 -7.305 3.265 -4.602 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -5.540 4.352 -5.571 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.886 5.865 -4.756 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.498 6.565 -2.988 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.619 2.400 -4.030 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.677 6.106 -1.369 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.798 1.941 -2.411 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.827 3.795 -1.081 1.00 0.00 H new ATOM 114 N LYS A 8 -7.145 4.992 -1.794 1.00 0.00 N ATOM 115 CA LYS A 8 -7.084 4.846 -0.346 1.00 0.00 C ATOM 116 C LYS A 8 -8.233 3.981 0.168 1.00 0.00 C ATOM 117 O LYS A 8 -8.027 3.059 0.962 1.00 0.00 O ATOM 118 CB LYS A 8 -7.147 6.225 0.319 1.00 0.00 C ATOM 119 CG LYS A 8 -6.724 6.111 1.789 1.00 0.00 C ATOM 120 CD LYS A 8 -6.279 7.483 2.304 1.00 0.00 C ATOM 121 CE LYS A 8 -7.387 8.510 2.063 1.00 0.00 C ATOM 122 NZ LYS A 8 -7.058 9.773 2.784 1.00 0.00 N ATOM 0 H LYS A 8 -7.270 5.950 -2.121 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.143 4.357 -0.094 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.493 6.922 -0.205 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -8.158 6.626 0.252 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.554 5.738 2.389 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.910 5.393 1.889 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.049 7.425 3.368 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.366 7.794 1.797 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.492 8.704 0.996 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.343 8.118 2.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.811 10.472 2.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.979 9.581 3.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.154 10.149 2.432 1.00 0.00 H new ATOM 136 N SER A 9 -9.452 4.286 -0.269 1.00 0.00 N ATOM 137 CA SER A 9 -10.600 3.520 0.191 1.00 0.00 C ATOM 138 C SER A 9 -10.410 2.044 -0.140 1.00 0.00 C ATOM 139 O SER A 9 -10.935 1.172 0.553 1.00 0.00 O ATOM 140 CB SER A 9 -11.890 4.046 -0.438 1.00 0.00 C ATOM 141 OG SER A 9 -12.964 3.175 -0.104 1.00 0.00 O ATOM 0 H SER A 9 -9.665 5.038 -0.924 1.00 0.00 H new ATOM 0 HA SER A 9 -10.680 3.632 1.272 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.099 5.054 -0.079 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.781 4.109 -1.521 1.00 0.00 H new ATOM 0 HG SER A 9 -13.793 3.510 -0.504 1.00 0.00 H new ATOM 147 N LEU A 10 -9.641 1.766 -1.191 1.00 0.00 N ATOM 148 CA LEU A 10 -9.379 0.385 -1.578 1.00 0.00 C ATOM 149 C LEU A 10 -8.554 -0.297 -0.487 1.00 0.00 C ATOM 150 O LEU A 10 -8.682 -1.502 -0.266 1.00 0.00 O ATOM 151 CB LEU A 10 -8.662 0.338 -2.945 1.00 0.00 C ATOM 152 CG LEU A 10 -7.638 -0.813 -2.993 1.00 0.00 C ATOM 153 CD1 LEU A 10 -7.351 -1.188 -4.453 1.00 0.00 C ATOM 154 CD2 LEU A 10 -6.330 -0.378 -2.309 1.00 0.00 C ATOM 0 H LEU A 10 -9.195 2.468 -1.781 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.321 -0.153 -1.686 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.396 0.210 -3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -8.157 1.287 -3.127 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.048 -1.677 -2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.627 -2.002 -4.484 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.275 -1.506 -4.935 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.947 -0.323 -4.978 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.610 -1.196 -2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.920 0.490 -2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.532 -0.119 -1.270 1.00 0.00 H new ATOM 166 N LEU A 11 -7.724 0.480 0.213 1.00 0.00 N ATOM 167 CA LEU A 11 -6.918 -0.083 1.293 1.00 0.00 C ATOM 168 C LEU A 11 -7.838 -0.491 2.433 1.00 0.00 C ATOM 169 O LEU A 11 -7.708 -1.584 2.979 1.00 0.00 O ATOM 170 CB LEU A 11 -5.874 0.926 1.791 1.00 0.00 C ATOM 171 CG LEU A 11 -4.611 0.851 0.924 1.00 0.00 C ATOM 172 CD1 LEU A 11 -3.889 2.202 0.950 1.00 0.00 C ATOM 173 CD2 LEU A 11 -3.675 -0.234 1.469 1.00 0.00 C ATOM 0 H LEU A 11 -7.595 1.479 0.055 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.382 -0.954 0.917 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.287 1.934 1.758 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.623 0.718 2.831 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.893 0.607 -0.100 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.992 2.147 0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.550 2.976 0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.610 2.446 1.975 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.779 -0.285 0.851 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.396 0.008 2.494 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.184 -1.197 1.449 1.00 0.00 H new ATOM 185 N LYS A 12 -8.793 0.375 2.766 1.00 0.00 N ATOM 186 CA LYS A 12 -9.757 0.057 3.821 1.00 0.00 C ATOM 187 C LYS A 12 -10.113 -1.428 3.761 1.00 0.00 C ATOM 188 O LYS A 12 -9.960 -2.155 4.742 1.00 0.00 O ATOM 189 CB LYS A 12 -11.025 0.895 3.637 1.00 0.00 C ATOM 190 CG LYS A 12 -11.884 0.806 4.899 1.00 0.00 C ATOM 191 CD LYS A 12 -13.285 1.346 4.603 1.00 0.00 C ATOM 192 CE LYS A 12 -14.179 1.142 5.826 1.00 0.00 C ATOM 193 NZ LYS A 12 -13.803 2.120 6.886 1.00 0.00 N ATOM 0 H LYS A 12 -8.921 1.288 2.330 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.313 0.285 4.790 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.761 1.933 3.437 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.588 0.537 2.775 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.946 -0.228 5.237 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.425 1.378 5.705 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.232 2.405 4.350 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.709 0.833 3.740 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -15.225 1.273 5.550 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -14.073 0.124 6.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.504 2.086 7.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.864 1.879 7.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.779 3.078 6.482 1.00 0.00 H new ATOM 207 N LYS A 13 -10.563 -1.869 2.593 1.00 0.00 N ATOM 208 CA LYS A 13 -10.914 -3.271 2.392 1.00 0.00 C ATOM 209 C LYS A 13 -9.749 -4.171 2.802 1.00 0.00 C ATOM 210 O LYS A 13 -9.943 -5.223 3.410 1.00 0.00 O ATOM 211 CB LYS A 13 -11.247 -3.509 0.912 1.00 0.00 C ATOM 212 CG LYS A 13 -12.743 -3.269 0.671 1.00 0.00 C ATOM 213 CD LYS A 13 -13.530 -4.547 0.988 1.00 0.00 C ATOM 214 CE LYS A 13 -14.985 -4.192 1.305 1.00 0.00 C ATOM 215 NZ LYS A 13 -15.726 -5.428 1.685 1.00 0.00 N ATOM 0 H LYS A 13 -10.694 -1.278 1.772 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.781 -3.510 3.007 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.656 -2.841 0.285 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.983 -4.528 0.630 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.095 -2.449 1.297 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.912 -2.974 -0.365 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.489 -5.231 0.140 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.079 -5.063 1.835 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -15.025 -3.467 2.118 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -15.454 -3.726 0.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -16.715 -5.188 1.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -15.698 -6.106 0.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -15.283 -5.855 2.524 1.00 0.00 H new ATOM 229 N HIS A 14 -8.541 -3.743 2.455 1.00 0.00 N ATOM 230 CA HIS A 14 -7.336 -4.501 2.776 1.00 0.00 C ATOM 231 C HIS A 14 -7.031 -4.452 4.271 1.00 0.00 C ATOM 232 O HIS A 14 -7.016 -5.483 4.944 1.00 0.00 O ATOM 233 CB HIS A 14 -6.150 -3.926 2.003 1.00 0.00 C ATOM 234 CG HIS A 14 -4.960 -4.832 2.158 1.00 0.00 C ATOM 235 ND1 HIS A 14 -5.087 -6.208 2.278 1.00 0.00 N ATOM 236 CD2 HIS A 14 -3.613 -4.574 2.217 1.00 0.00 C ATOM 237 CE1 HIS A 14 -3.849 -6.720 2.402 1.00 0.00 C ATOM 238 NE2 HIS A 14 -2.913 -5.767 2.371 1.00 0.00 N ATOM 0 H HIS A 14 -8.369 -2.873 1.950 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.504 -5.540 2.492 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -6.406 -3.822 0.949 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -5.911 -2.929 2.373 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.164 -3.594 2.154 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -3.638 -7.773 2.513 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -1.903 -5.888 2.444 1.00 0.00 H new ATOM 247 N TYR A 15 -6.769 -3.253 4.782 1.00 0.00 N ATOM 248 CA TYR A 15 -6.442 -3.080 6.192 1.00 0.00 C ATOM 249 C TYR A 15 -7.698 -3.131 7.058 1.00 0.00 C ATOM 250 O TYR A 15 -7.708 -2.624 8.179 1.00 0.00 O ATOM 251 CB TYR A 15 -5.739 -1.730 6.391 1.00 0.00 C ATOM 252 CG TYR A 15 -4.249 -1.886 6.185 1.00 0.00 C ATOM 253 CD1 TYR A 15 -3.356 -1.221 7.032 1.00 0.00 C ATOM 254 CD2 TYR A 15 -3.762 -2.694 5.149 1.00 0.00 C ATOM 255 CE1 TYR A 15 -1.975 -1.361 6.843 1.00 0.00 C ATOM 256 CE2 TYR A 15 -2.381 -2.834 4.962 1.00 0.00 C ATOM 257 CZ TYR A 15 -1.489 -2.169 5.809 1.00 0.00 C ATOM 258 OH TYR A 15 -0.128 -2.307 5.623 1.00 0.00 O ATOM 0 H TYR A 15 -6.777 -2.388 4.241 1.00 0.00 H new ATOM 0 HA TYR A 15 -5.783 -3.894 6.494 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -6.136 -0.997 5.689 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -5.938 -1.352 7.394 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -3.731 -0.600 7.832 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.451 -3.208 4.495 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.286 -0.845 7.495 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -2.005 -3.456 4.163 1.00 0.00 H new ATOM 0 HH TYR A 15 0.040 -2.903 4.863 1.00 0.00 H new ATOM 268 N GLU A 16 -8.756 -3.745 6.542 1.00 0.00 N ATOM 269 CA GLU A 16 -10.001 -3.848 7.296 1.00 0.00 C ATOM 270 C GLU A 16 -9.729 -4.332 8.717 1.00 0.00 C ATOM 271 O GLU A 16 -10.484 -4.029 9.640 1.00 0.00 O ATOM 272 CB GLU A 16 -10.956 -4.817 6.597 1.00 0.00 C ATOM 273 CG GLU A 16 -12.287 -4.853 7.349 1.00 0.00 C ATOM 274 CD GLU A 16 -13.284 -5.734 6.604 1.00 0.00 C ATOM 275 OE1 GLU A 16 -13.752 -6.694 7.193 1.00 0.00 O ATOM 276 OE2 GLU A 16 -13.563 -5.436 5.455 1.00 0.00 O ATOM 0 H GLU A 16 -8.779 -4.174 5.617 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.458 -2.860 7.343 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.117 -4.504 5.565 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.518 -5.815 6.563 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.134 -5.236 8.358 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.685 -3.843 7.449 1.00 0.00 H new ATOM 283 N LYS A 17 -8.647 -5.088 8.886 1.00 0.00 N ATOM 284 CA LYS A 17 -8.287 -5.610 10.202 1.00 0.00 C ATOM 285 C LYS A 17 -7.353 -4.646 10.929 1.00 0.00 C ATOM 286 O LYS A 17 -7.554 -4.341 12.106 1.00 0.00 O ATOM 287 CB LYS A 17 -7.601 -6.971 10.054 1.00 0.00 C ATOM 288 CG LYS A 17 -8.639 -8.036 9.690 1.00 0.00 C ATOM 289 CD LYS A 17 -7.933 -9.368 9.421 1.00 0.00 C ATOM 290 CE LYS A 17 -8.952 -10.510 9.465 1.00 0.00 C ATOM 291 NZ LYS A 17 -8.242 -11.814 9.337 1.00 0.00 N ATOM 0 H LYS A 17 -8.009 -5.351 8.135 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.200 -5.722 10.787 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.833 -6.920 9.282 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.101 -7.240 10.984 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.358 -8.151 10.502 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.200 -7.725 8.809 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.444 -9.341 8.447 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.154 -9.534 10.165 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.510 -10.478 10.401 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.676 -10.397 8.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.934 -12.590 9.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.728 -11.842 8.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.568 -11.921 10.122 1.00 0.00 H new ATOM 305 N THR A 18 -6.329 -4.173 10.225 1.00 0.00 N ATOM 306 CA THR A 18 -5.368 -3.248 10.817 1.00 0.00 C ATOM 307 C THR A 18 -6.002 -1.878 11.047 1.00 0.00 C ATOM 308 O THR A 18 -5.379 -0.847 10.795 1.00 0.00 O ATOM 309 CB THR A 18 -4.149 -3.100 9.901 1.00 0.00 C ATOM 310 OG1 THR A 18 -4.585 -2.974 8.554 1.00 0.00 O ATOM 311 CG2 THR A 18 -3.249 -4.331 10.035 1.00 0.00 C ATOM 0 H THR A 18 -6.144 -4.413 9.251 1.00 0.00 H new ATOM 0 HA THR A 18 -5.055 -3.654 11.779 1.00 0.00 H new ATOM 0 HB THR A 18 -3.586 -2.212 10.188 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.840 -2.668 7.996 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.383 -4.222 9.382 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.914 -4.426 11.068 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.808 -5.223 9.751 1.00 0.00 H new ATOM 319 N ILE A 19 -7.238 -1.874 11.529 1.00 0.00 N ATOM 320 CA ILE A 19 -7.936 -0.619 11.790 1.00 0.00 C ATOM 321 C ILE A 19 -7.144 0.228 12.782 1.00 0.00 C ATOM 322 O ILE A 19 -6.367 1.089 12.375 1.00 0.00 O ATOM 323 CB ILE A 19 -9.348 -0.903 12.325 1.00 0.00 C ATOM 324 CG1 ILE A 19 -9.982 0.406 12.821 1.00 0.00 C ATOM 325 CG2 ILE A 19 -9.287 -1.923 13.478 1.00 0.00 C ATOM 326 CD1 ILE A 19 -11.506 0.255 12.848 1.00 0.00 C ATOM 0 H ILE A 19 -7.774 -2.714 11.746 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.025 -0.062 10.857 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.955 -1.319 11.521 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -9.612 0.648 13.817 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -9.699 1.231 12.167 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.294 -2.115 13.848 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -8.849 -2.854 13.118 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.674 -1.523 14.286 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.957 1.183 13.200 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -11.868 0.033 11.844 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -11.779 -0.559 13.520 1.00 0.00 H new ATOM 338 N GLY A 20 -7.344 -0.012 14.080 1.00 0.00 N ATOM 339 CA GLY A 20 -6.633 0.746 15.110 1.00 0.00 C ATOM 340 C GLY A 20 -5.282 1.231 14.595 1.00 0.00 C ATOM 341 O GLY A 20 -5.010 2.432 14.575 1.00 0.00 O ATOM 0 H GLY A 20 -7.986 -0.718 14.440 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.236 1.599 15.420 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.488 0.121 15.991 1.00 0.00 H new ATOM 345 N PHE A 21 -4.447 0.289 14.163 1.00 0.00 N ATOM 346 CA PHE A 21 -3.133 0.631 13.629 1.00 0.00 C ATOM 347 C PHE A 21 -3.238 1.891 12.777 1.00 0.00 C ATOM 348 O PHE A 21 -2.450 2.824 12.924 1.00 0.00 O ATOM 349 CB PHE A 21 -2.606 -0.531 12.781 1.00 0.00 C ATOM 350 CG PHE A 21 -1.254 -0.178 12.209 1.00 0.00 C ATOM 351 CD1 PHE A 21 -1.111 0.046 10.834 1.00 0.00 C ATOM 352 CD2 PHE A 21 -0.140 -0.086 13.053 1.00 0.00 C ATOM 353 CE1 PHE A 21 0.145 0.363 10.304 1.00 0.00 C ATOM 354 CE2 PHE A 21 1.116 0.232 12.520 1.00 0.00 C ATOM 355 CZ PHE A 21 1.257 0.455 11.147 1.00 0.00 C ATOM 0 H PHE A 21 -4.655 -0.709 14.172 1.00 0.00 H new ATOM 0 HA PHE A 21 -2.443 0.815 14.452 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.529 -1.432 13.390 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.306 -0.751 11.975 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.970 -0.026 10.183 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.249 -0.260 14.113 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.255 0.537 9.244 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.976 0.305 13.170 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.226 0.699 10.737 1.00 0.00 H new ATOM 365 N HIS A 22 -4.229 1.910 11.893 1.00 0.00 N ATOM 366 CA HIS A 22 -4.445 3.062 11.028 1.00 0.00 C ATOM 367 C HIS A 22 -4.770 4.296 11.866 1.00 0.00 C ATOM 368 O HIS A 22 -4.125 5.333 11.714 1.00 0.00 O ATOM 369 CB HIS A 22 -5.578 2.778 10.037 1.00 0.00 C ATOM 370 CG HIS A 22 -5.504 3.751 8.891 1.00 0.00 C ATOM 371 ND1 HIS A 22 -5.648 5.117 9.072 1.00 0.00 N ATOM 372 CD2 HIS A 22 -5.302 3.569 7.546 1.00 0.00 C ATOM 373 CE1 HIS A 22 -5.532 5.700 7.865 1.00 0.00 C ATOM 374 NE2 HIS A 22 -5.320 4.802 6.899 1.00 0.00 N ATOM 0 H HIS A 22 -4.891 1.146 11.757 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.531 3.253 10.465 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.501 1.756 9.665 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -6.542 2.863 10.538 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -5.152 2.615 7.063 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -5.602 6.765 7.697 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -5.198 4.981 5.902 1.00 0.00 H new ATOM 383 N ASP A 23 -5.747 4.188 12.759 1.00 0.00 N ATOM 384 CA ASP A 23 -6.097 5.322 13.609 1.00 0.00 C ATOM 385 C ASP A 23 -4.883 5.737 14.438 1.00 0.00 C ATOM 386 O ASP A 23 -4.931 6.707 15.195 1.00 0.00 O ATOM 387 CB ASP A 23 -7.256 4.949 14.537 1.00 0.00 C ATOM 388 CG ASP A 23 -7.877 6.209 15.131 1.00 0.00 C ATOM 389 OD1 ASP A 23 -8.059 6.246 16.336 1.00 0.00 O ATOM 390 OD2 ASP A 23 -8.161 7.120 14.371 1.00 0.00 O ATOM 0 H ASP A 23 -6.301 3.346 12.913 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.406 6.156 12.978 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.010 4.389 13.984 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.898 4.299 15.336 1.00 0.00 H new ATOM 395 N LYS A 24 -3.798 4.985 14.284 1.00 0.00 N ATOM 396 CA LYS A 24 -2.560 5.250 15.008 1.00 0.00 C ATOM 397 C LYS A 24 -1.577 6.061 14.157 1.00 0.00 C ATOM 398 O LYS A 24 -1.380 7.248 14.417 1.00 0.00 O ATOM 399 CB LYS A 24 -1.918 3.920 15.442 1.00 0.00 C ATOM 400 CG LYS A 24 -1.648 3.930 16.953 1.00 0.00 C ATOM 401 CD LYS A 24 -0.507 4.902 17.271 1.00 0.00 C ATOM 402 CE LYS A 24 -0.543 5.268 18.758 1.00 0.00 C ATOM 403 NZ LYS A 24 -1.868 5.864 19.092 1.00 0.00 N ATOM 0 H LYS A 24 -3.752 4.181 13.659 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.800 5.842 15.891 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.577 3.090 15.188 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.986 3.764 14.900 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.549 4.225 17.491 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.388 2.927 17.292 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.452 4.447 17.021 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.602 5.801 16.662 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.368 4.380 19.366 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.254 5.975 18.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.734 6.671 19.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.332 6.189 18.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.464 5.148 19.555 1.00 0.00 H new ATOM 417 N TYR A 25 -0.946 5.436 13.161 1.00 0.00 N ATOM 418 CA TYR A 25 0.022 6.164 12.333 1.00 0.00 C ATOM 419 C TYR A 25 -0.560 6.549 10.972 1.00 0.00 C ATOM 420 O TYR A 25 -0.728 7.732 10.678 1.00 0.00 O ATOM 421 CB TYR A 25 1.288 5.328 12.122 1.00 0.00 C ATOM 422 CG TYR A 25 1.663 4.624 13.403 1.00 0.00 C ATOM 423 CD1 TYR A 25 1.253 3.303 13.620 1.00 0.00 C ATOM 424 CD2 TYR A 25 2.426 5.289 14.368 1.00 0.00 C ATOM 425 CE1 TYR A 25 1.609 2.647 14.804 1.00 0.00 C ATOM 426 CE2 TYR A 25 2.781 4.634 15.553 1.00 0.00 C ATOM 427 CZ TYR A 25 2.373 3.311 15.771 1.00 0.00 C ATOM 428 OH TYR A 25 2.723 2.666 16.939 1.00 0.00 O ATOM 0 H TYR A 25 -1.080 4.456 12.911 1.00 0.00 H new ATOM 0 HA TYR A 25 0.270 7.080 12.870 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.123 4.597 11.331 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.107 5.970 11.797 1.00 0.00 H new ATOM 0 HD1 TYR A 25 0.663 2.791 12.875 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.741 6.308 14.199 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.294 1.628 14.972 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.369 5.148 16.299 1.00 0.00 H new ATOM 0 HH TYR A 25 3.254 3.270 17.500 1.00 0.00 H new ATOM 438 N ILE A 26 -0.840 5.552 10.138 1.00 0.00 N ATOM 439 CA ILE A 26 -1.376 5.812 8.802 1.00 0.00 C ATOM 440 C ILE A 26 -2.378 6.962 8.824 1.00 0.00 C ATOM 441 O ILE A 26 -2.619 7.606 7.804 1.00 0.00 O ATOM 442 CB ILE A 26 -2.052 4.553 8.246 1.00 0.00 C ATOM 443 CG1 ILE A 26 -1.233 3.317 8.630 1.00 0.00 C ATOM 444 CG2 ILE A 26 -2.143 4.649 6.722 1.00 0.00 C ATOM 445 CD1 ILE A 26 0.236 3.532 8.258 1.00 0.00 C ATOM 0 H ILE A 26 -0.707 4.565 10.359 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.542 6.091 8.158 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.055 4.469 8.665 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.323 3.128 9.700 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.623 2.438 8.117 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.624 3.753 6.329 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.729 5.526 6.447 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.141 4.737 6.302 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.814 2.650 8.533 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.319 3.699 7.184 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.623 4.400 8.791 1.00 0.00 H new ATOM 457 N LYS A 27 -2.960 7.214 9.991 1.00 0.00 N ATOM 458 CA LYS A 27 -3.936 8.291 10.128 1.00 0.00 C ATOM 459 C LYS A 27 -3.235 9.636 10.304 1.00 0.00 C ATOM 460 O LYS A 27 -3.677 10.653 9.770 1.00 0.00 O ATOM 461 CB LYS A 27 -4.842 8.022 11.334 1.00 0.00 C ATOM 462 CG LYS A 27 -5.726 9.245 11.598 1.00 0.00 C ATOM 463 CD LYS A 27 -6.851 8.866 12.564 1.00 0.00 C ATOM 464 CE LYS A 27 -7.748 10.082 12.804 1.00 0.00 C ATOM 465 NZ LYS A 27 -8.606 9.841 13.998 1.00 0.00 N ATOM 0 H LYS A 27 -2.776 6.694 10.849 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.538 8.327 9.220 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.463 7.146 11.146 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.237 7.802 12.214 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.129 10.054 12.019 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.145 9.612 10.661 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.437 8.044 12.152 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.432 8.518 13.508 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.138 10.973 12.956 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.370 10.267 11.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.553 10.238 13.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.684 8.818 14.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.181 10.299 14.829 1.00 0.00 H new ATOM 479 N ASP A 28 -2.144 9.632 11.064 1.00 0.00 N ATOM 480 CA ASP A 28 -1.391 10.856 11.313 1.00 0.00 C ATOM 481 C ASP A 28 -0.696 11.338 10.044 1.00 0.00 C ATOM 482 O ASP A 28 -0.572 12.540 9.812 1.00 0.00 O ATOM 483 CB ASP A 28 -0.350 10.613 12.406 1.00 0.00 C ATOM 484 CG ASP A 28 0.316 11.929 12.794 1.00 0.00 C ATOM 485 OD1 ASP A 28 1.532 11.997 12.722 1.00 0.00 O ATOM 486 OD2 ASP A 28 -0.398 12.848 13.157 1.00 0.00 O ATOM 0 H ASP A 28 -1.764 8.800 11.515 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.091 11.626 11.638 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.825 10.165 13.279 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.401 9.906 12.054 1.00 0.00 H new ATOM 491 N ILE A 29 -0.237 10.394 9.226 1.00 0.00 N ATOM 492 CA ILE A 29 0.449 10.743 7.986 1.00 0.00 C ATOM 493 C ILE A 29 -0.275 11.878 7.272 1.00 0.00 C ATOM 494 O ILE A 29 -1.462 12.111 7.498 1.00 0.00 O ATOM 495 CB ILE A 29 0.526 9.522 7.067 1.00 0.00 C ATOM 496 CG1 ILE A 29 1.431 8.467 7.709 1.00 0.00 C ATOM 497 CG2 ILE A 29 1.103 9.939 5.708 1.00 0.00 C ATOM 498 CD1 ILE A 29 1.471 7.212 6.833 1.00 0.00 C ATOM 0 H ILE A 29 -0.326 9.392 9.397 1.00 0.00 H new ATOM 0 HA ILE A 29 1.458 11.073 8.234 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.472 9.108 6.921 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.438 8.866 7.834 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.062 8.215 8.703 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.158 9.069 5.054 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.459 10.694 5.256 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.102 10.351 5.848 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.117 6.466 7.296 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.464 6.807 6.731 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.861 7.468 5.848 1.00 0.00 H new ATOM 510 N ASN A 30 0.449 12.581 6.407 1.00 0.00 N ATOM 511 CA ASN A 30 -0.137 13.692 5.664 1.00 0.00 C ATOM 512 C ASN A 30 0.739 14.090 4.478 1.00 0.00 C ATOM 513 O ASN A 30 0.587 15.181 3.927 1.00 0.00 O ATOM 514 CB ASN A 30 -0.317 14.897 6.590 1.00 0.00 C ATOM 515 CG ASN A 30 1.034 15.324 7.155 1.00 0.00 C ATOM 516 OD1 ASN A 30 2.053 15.233 6.469 1.00 0.00 O ATOM 517 ND2 ASN A 30 1.103 15.790 8.372 1.00 0.00 N ATOM 0 H ASN A 30 1.433 12.404 6.204 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.105 13.368 5.283 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.769 15.723 6.042 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.997 14.643 7.403 1.00 0.00 H new ATOM 0 HD21 ASN A 30 2.002 16.080 8.757 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.258 15.864 8.938 1.00 0.00 H new ATOM 524 N ARG A 31 1.658 13.210 4.088 1.00 0.00 N ATOM 525 CA ARG A 31 2.551 13.495 2.966 1.00 0.00 C ATOM 526 C ARG A 31 2.674 12.281 2.050 1.00 0.00 C ATOM 527 O ARG A 31 3.224 11.248 2.435 1.00 0.00 O ATOM 528 CB ARG A 31 3.935 13.886 3.488 1.00 0.00 C ATOM 529 CG ARG A 31 4.755 14.529 2.361 1.00 0.00 C ATOM 530 CD ARG A 31 4.487 16.038 2.312 1.00 0.00 C ATOM 531 NE ARG A 31 5.359 16.735 3.250 1.00 0.00 N ATOM 532 CZ ARG A 31 5.054 17.947 3.704 1.00 0.00 C ATOM 533 NH1 ARG A 31 3.956 18.533 3.310 1.00 0.00 N ATOM 534 NH2 ARG A 31 5.849 18.550 4.543 1.00 0.00 N ATOM 0 H ARG A 31 1.804 12.301 4.527 1.00 0.00 H new ATOM 0 HA ARG A 31 2.130 14.322 2.394 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.836 14.582 4.321 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.452 13.005 3.869 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.817 14.345 2.523 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.494 14.074 1.405 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.654 16.412 1.302 1.00 0.00 H new ATOM 0 HD3 ARG A 31 3.444 16.238 2.557 1.00 0.00 H new ATOM 0 HE ARG A 31 6.219 16.285 3.564 1.00 0.00 H new ATOM 0 HH11 ARG A 31 3.333 18.061 2.655 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.721 19.463 3.658 1.00 0.00 H new ATOM 0 HH21 ARG A 31 6.706 18.092 4.852 1.00 0.00 H new ATOM 0 HH22 ARG A 31 5.614 19.480 4.890 1.00 0.00 H new ATOM 548 N PHE A 32 2.158 12.424 0.835 1.00 0.00 N ATOM 549 CA PHE A 32 2.203 11.351 -0.154 1.00 0.00 C ATOM 550 C PHE A 32 2.183 11.952 -1.557 1.00 0.00 C ATOM 551 O PHE A 32 1.340 12.796 -1.863 1.00 0.00 O ATOM 552 CB PHE A 32 1.000 10.422 0.027 1.00 0.00 C ATOM 553 CG PHE A 32 -0.231 11.241 0.339 1.00 0.00 C ATOM 554 CD1 PHE A 32 -0.563 11.521 1.671 1.00 0.00 C ATOM 555 CD2 PHE A 32 -1.039 11.718 -0.699 1.00 0.00 C ATOM 556 CE1 PHE A 32 -1.704 12.278 1.963 1.00 0.00 C ATOM 557 CE2 PHE A 32 -2.179 12.476 -0.407 1.00 0.00 C ATOM 558 CZ PHE A 32 -2.512 12.755 0.924 1.00 0.00 C ATOM 0 H PHE A 32 1.701 13.276 0.509 1.00 0.00 H new ATOM 0 HA PHE A 32 3.119 10.775 -0.018 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.840 9.837 -0.879 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.192 9.714 0.833 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.061 11.153 2.472 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.783 11.501 -1.726 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.961 12.494 2.990 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.802 12.846 -1.208 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.393 13.338 1.149 1.00 0.00 H new ATOM 568 N VAL A 33 3.123 11.530 -2.400 1.00 0.00 N ATOM 569 CA VAL A 33 3.203 12.059 -3.761 1.00 0.00 C ATOM 570 C VAL A 33 3.309 10.944 -4.798 1.00 0.00 C ATOM 571 O VAL A 33 3.960 9.916 -4.573 1.00 0.00 O ATOM 572 CB VAL A 33 4.414 12.986 -3.884 1.00 0.00 C ATOM 573 CG1 VAL A 33 4.175 14.248 -3.055 1.00 0.00 C ATOM 574 CG2 VAL A 33 5.662 12.266 -3.366 1.00 0.00 C ATOM 0 H VAL A 33 3.831 10.833 -2.170 1.00 0.00 H new ATOM 0 HA VAL A 33 2.285 12.613 -3.956 1.00 0.00 H new ATOM 0 HB VAL A 33 4.558 13.259 -4.929 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.037 14.909 -3.142 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.286 14.761 -3.421 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.031 13.975 -2.010 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.525 12.926 -3.453 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.517 11.994 -2.320 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.833 11.365 -3.955 1.00 0.00 H new ATOM 584 N PHE A 34 2.654 11.176 -5.939 1.00 0.00 N ATOM 585 CA PHE A 34 2.648 10.221 -7.044 1.00 0.00 C ATOM 586 C PHE A 34 2.981 10.941 -8.354 1.00 0.00 C ATOM 587 O PHE A 34 2.233 10.863 -9.328 1.00 0.00 O ATOM 588 CB PHE A 34 1.261 9.564 -7.147 1.00 0.00 C ATOM 589 CG PHE A 34 1.100 8.864 -8.480 1.00 0.00 C ATOM 590 CD1 PHE A 34 -0.127 8.926 -9.152 1.00 0.00 C ATOM 591 CD2 PHE A 34 2.172 8.160 -9.048 1.00 0.00 C ATOM 592 CE1 PHE A 34 -0.284 8.286 -10.388 1.00 0.00 C ATOM 593 CE2 PHE A 34 2.013 7.520 -10.283 1.00 0.00 C ATOM 594 CZ PHE A 34 0.785 7.584 -10.952 1.00 0.00 C ATOM 0 H PHE A 34 2.118 12.025 -6.119 1.00 0.00 H new ATOM 0 HA PHE A 34 3.399 9.452 -6.861 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.131 8.847 -6.336 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.485 10.321 -7.031 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.953 9.468 -8.717 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.120 8.112 -8.533 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.231 8.335 -10.905 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.838 6.977 -10.720 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.663 7.090 -11.905 1.00 0.00 H new ATOM 604 N LYS A 35 4.106 11.652 -8.367 1.00 0.00 N ATOM 605 CA LYS A 35 4.518 12.389 -9.562 1.00 0.00 C ATOM 606 C LYS A 35 6.002 12.179 -9.843 1.00 0.00 C ATOM 607 O LYS A 35 6.846 12.936 -9.365 1.00 0.00 O ATOM 608 CB LYS A 35 4.239 13.884 -9.379 1.00 0.00 C ATOM 609 CG LYS A 35 2.772 14.092 -8.970 1.00 0.00 C ATOM 610 CD LYS A 35 2.662 14.202 -7.444 1.00 0.00 C ATOM 611 CE LYS A 35 2.926 15.647 -7.012 1.00 0.00 C ATOM 612 NZ LYS A 35 3.223 15.683 -5.552 1.00 0.00 N ATOM 0 H LYS A 35 4.743 11.734 -7.575 1.00 0.00 H new ATOM 0 HA LYS A 35 3.944 12.012 -10.409 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.901 14.297 -8.617 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.447 14.419 -10.306 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.381 14.996 -9.437 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.165 13.260 -9.327 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.670 13.890 -7.118 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.379 13.533 -6.969 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.764 16.059 -7.575 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.058 16.268 -7.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.118 16.656 -5.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.561 15.060 -5.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.197 15.358 -5.388 1.00 0.00 H new ATOM 626 N ASN A 36 6.308 11.149 -10.627 1.00 0.00 N ATOM 627 CA ASN A 36 7.690 10.840 -10.976 1.00 0.00 C ATOM 628 C ASN A 36 7.767 9.473 -11.648 1.00 0.00 C ATOM 629 O ASN A 36 8.484 9.299 -12.631 1.00 0.00 O ATOM 630 CB ASN A 36 8.565 10.836 -9.718 1.00 0.00 C ATOM 631 CG ASN A 36 7.805 10.196 -8.559 1.00 0.00 C ATOM 632 OD1 ASN A 36 7.849 8.978 -8.385 1.00 0.00 O ATOM 633 ND2 ASN A 36 7.106 10.948 -7.752 1.00 0.00 N ATOM 0 H ASN A 36 5.618 10.516 -11.032 1.00 0.00 H new ATOM 0 HA ASN A 36 8.052 11.603 -11.665 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.487 10.286 -9.907 1.00 0.00 H new ATOM 0 HB3 ASN A 36 8.849 11.856 -9.459 1.00 0.00 H new ATOM 0 HD21 ASN A 36 6.595 10.526 -6.976 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.071 11.957 -7.898 1.00 0.00 H new ATOM 640 N ASN A 37 7.010 8.521 -11.096 1.00 0.00 N ATOM 641 CA ASN A 37 6.954 7.144 -11.608 1.00 0.00 C ATOM 642 C ASN A 37 6.861 6.143 -10.454 1.00 0.00 C ATOM 643 O ASN A 37 6.986 4.936 -10.661 1.00 0.00 O ATOM 644 CB ASN A 37 8.193 6.804 -12.447 1.00 0.00 C ATOM 645 CG ASN A 37 9.461 7.173 -11.684 1.00 0.00 C ATOM 646 OD1 ASN A 37 9.387 7.670 -10.559 1.00 0.00 O ATOM 647 ND2 ASN A 37 10.626 6.959 -12.231 1.00 0.00 N ATOM 0 H ASN A 37 6.418 8.681 -10.281 1.00 0.00 H new ATOM 0 HA ASN A 37 6.066 7.075 -12.236 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.199 5.740 -12.685 1.00 0.00 H new ATOM 0 HB3 ASN A 37 8.159 7.343 -13.394 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.479 7.203 -11.727 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.684 6.547 -13.162 1.00 0.00 H new ATOM 654 N VAL A 38 6.633 6.648 -9.242 1.00 0.00 N ATOM 655 CA VAL A 38 6.518 5.797 -8.063 1.00 0.00 C ATOM 656 C VAL A 38 5.660 6.486 -7.006 1.00 0.00 C ATOM 657 O VAL A 38 5.319 7.661 -7.141 1.00 0.00 O ATOM 658 CB VAL A 38 7.906 5.518 -7.476 1.00 0.00 C ATOM 659 CG1 VAL A 38 7.788 4.527 -6.312 1.00 0.00 C ATOM 660 CG2 VAL A 38 8.812 4.928 -8.558 1.00 0.00 C ATOM 0 H VAL A 38 6.524 7.644 -9.053 1.00 0.00 H new ATOM 0 HA VAL A 38 6.053 4.857 -8.358 1.00 0.00 H new ATOM 0 HB VAL A 38 8.335 6.452 -7.112 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.777 4.332 -5.898 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.148 4.950 -5.538 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.355 3.594 -6.671 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.798 4.730 -8.139 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.381 3.997 -8.926 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.903 5.636 -9.382 1.00 0.00 H new ATOM 670 N LEU A 39 5.316 5.751 -5.953 1.00 0.00 N ATOM 671 CA LEU A 39 4.499 6.299 -4.872 1.00 0.00 C ATOM 672 C LEU A 39 5.285 6.264 -3.567 1.00 0.00 C ATOM 673 O LEU A 39 5.625 5.190 -3.068 1.00 0.00 O ATOM 674 CB LEU A 39 3.216 5.465 -4.711 1.00 0.00 C ATOM 675 CG LEU A 39 2.098 6.026 -5.598 1.00 0.00 C ATOM 676 CD1 LEU A 39 2.319 5.596 -7.049 1.00 0.00 C ATOM 677 CD2 LEU A 39 0.748 5.491 -5.117 1.00 0.00 C ATOM 0 H LEU A 39 5.589 4.777 -5.824 1.00 0.00 H new ATOM 0 HA LEU A 39 4.235 7.328 -5.115 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.414 4.427 -4.978 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.899 5.471 -3.668 1.00 0.00 H new ATOM 0 HG LEU A 39 2.108 7.114 -5.537 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.521 5.998 -7.673 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.279 5.975 -7.399 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.314 4.508 -7.111 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.047 5.890 -5.747 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.746 4.403 -5.176 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.581 5.799 -4.085 1.00 0.00 H new ATOM 689 N LEU A 40 5.582 7.445 -3.018 1.00 0.00 N ATOM 690 CA LEU A 40 6.343 7.517 -1.769 1.00 0.00 C ATOM 691 C LEU A 40 5.517 8.202 -0.683 1.00 0.00 C ATOM 692 O LEU A 40 4.739 9.115 -0.961 1.00 0.00 O ATOM 693 CB LEU A 40 7.658 8.286 -2.004 1.00 0.00 C ATOM 694 CG LEU A 40 8.866 7.464 -1.518 1.00 0.00 C ATOM 695 CD1 LEU A 40 10.125 7.921 -2.264 1.00 0.00 C ATOM 696 CD2 LEU A 40 9.066 7.674 -0.010 1.00 0.00 C ATOM 0 H LEU A 40 5.313 8.348 -3.410 1.00 0.00 H new ATOM 0 HA LEU A 40 6.577 6.505 -1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.768 8.511 -3.065 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.626 9.240 -1.478 1.00 0.00 H new ATOM 0 HG LEU A 40 8.684 6.407 -1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.982 7.340 -1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.989 7.770 -3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.301 8.978 -2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.922 7.090 0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.246 8.730 0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.172 7.351 0.524 1.00 0.00 H new ATOM 708 N ILE A 41 5.692 7.748 0.556 1.00 0.00 N ATOM 709 CA ILE A 41 4.956 8.318 1.683 1.00 0.00 C ATOM 710 C ILE A 41 5.859 8.443 2.909 1.00 0.00 C ATOM 711 O ILE A 41 6.606 7.522 3.240 1.00 0.00 O ATOM 712 CB ILE A 41 3.751 7.433 2.018 1.00 0.00 C ATOM 713 CG1 ILE A 41 2.771 7.419 0.830 1.00 0.00 C ATOM 714 CG2 ILE A 41 3.045 7.985 3.260 1.00 0.00 C ATOM 715 CD1 ILE A 41 3.069 6.219 -0.074 1.00 0.00 C ATOM 0 H ILE A 41 6.332 6.993 0.804 1.00 0.00 H new ATOM 0 HA ILE A 41 4.610 9.313 1.402 1.00 0.00 H new ATOM 0 HB ILE A 41 4.091 6.416 2.214 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.745 7.366 1.194 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.860 8.345 0.262 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.187 7.357 3.500 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.738 7.989 4.101 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.706 9.002 3.064 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.373 6.214 -0.913 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.090 6.291 -0.450 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.957 5.297 0.496 1.00 0.00 H new ATOM 727 N LEU A 42 5.793 9.594 3.572 1.00 0.00 N ATOM 728 CA LEU A 42 6.617 9.835 4.752 1.00 0.00 C ATOM 729 C LEU A 42 6.210 8.922 5.906 1.00 0.00 C ATOM 730 O LEU A 42 5.027 8.781 6.218 1.00 0.00 O ATOM 731 CB LEU A 42 6.484 11.296 5.199 1.00 0.00 C ATOM 732 CG LEU A 42 7.311 12.217 4.287 1.00 0.00 C ATOM 733 CD1 LEU A 42 8.802 12.075 4.609 1.00 0.00 C ATOM 734 CD2 LEU A 42 7.069 11.856 2.818 1.00 0.00 C ATOM 0 H LEU A 42 5.182 10.369 3.315 1.00 0.00 H new ATOM 0 HA LEU A 42 7.651 9.621 4.483 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.436 11.596 5.174 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.821 11.399 6.231 1.00 0.00 H new ATOM 0 HG LEU A 42 7.003 13.248 4.460 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.379 12.731 3.958 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.977 12.350 5.649 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.112 11.042 4.450 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.659 12.514 2.180 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.364 10.821 2.644 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.011 11.976 2.583 1.00 0.00 H new ATOM 746 N LEU A 43 7.209 8.319 6.543 1.00 0.00 N ATOM 747 CA LEU A 43 6.971 7.430 7.676 1.00 0.00 C ATOM 748 C LEU A 43 8.166 7.456 8.626 1.00 0.00 C ATOM 749 O LEU A 43 9.234 6.929 8.311 1.00 0.00 O ATOM 750 CB LEU A 43 6.736 5.999 7.189 1.00 0.00 C ATOM 751 CG LEU A 43 6.429 5.085 8.384 1.00 0.00 C ATOM 752 CD1 LEU A 43 5.042 5.407 8.953 1.00 0.00 C ATOM 753 CD2 LEU A 43 6.460 3.627 7.925 1.00 0.00 C ATOM 0 H LEU A 43 8.192 8.430 6.294 1.00 0.00 H new ATOM 0 HA LEU A 43 6.083 7.777 8.205 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.907 5.978 6.481 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.617 5.636 6.659 1.00 0.00 H new ATOM 0 HG LEU A 43 7.178 5.248 9.159 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.835 4.753 9.800 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.016 6.446 9.282 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.287 5.252 8.182 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.243 2.975 8.771 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.712 3.474 7.147 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.448 3.391 7.529 1.00 0.00 H new ATOM 765 N GLU A 44 7.980 8.071 9.790 1.00 0.00 N ATOM 766 CA GLU A 44 9.050 8.160 10.779 1.00 0.00 C ATOM 767 C GLU A 44 9.006 6.967 11.732 1.00 0.00 C ATOM 768 O GLU A 44 10.044 6.423 12.108 1.00 0.00 O ATOM 769 CB GLU A 44 8.913 9.457 11.581 1.00 0.00 C ATOM 770 CG GLU A 44 9.229 10.652 10.680 1.00 0.00 C ATOM 771 CD GLU A 44 9.187 11.943 11.492 1.00 0.00 C ATOM 772 OE1 GLU A 44 10.142 12.203 12.205 1.00 0.00 O ATOM 773 OE2 GLU A 44 8.199 12.653 11.389 1.00 0.00 O ATOM 0 H GLU A 44 7.104 8.513 10.071 1.00 0.00 H new ATOM 0 HA GLU A 44 10.004 8.154 10.252 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.902 9.546 11.979 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.591 9.442 12.434 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.214 10.528 10.229 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.509 10.703 9.863 1.00 0.00 H new ATOM 780 N ASN A 45 7.798 6.569 12.122 1.00 0.00 N ATOM 781 CA ASN A 45 7.630 5.442 13.038 1.00 0.00 C ATOM 782 C ASN A 45 8.572 4.298 12.671 1.00 0.00 C ATOM 783 O ASN A 45 8.442 3.686 11.609 1.00 0.00 O ATOM 784 CB ASN A 45 6.182 4.949 13.000 1.00 0.00 C ATOM 785 CG ASN A 45 5.262 5.992 13.624 1.00 0.00 C ATOM 786 OD1 ASN A 45 5.132 6.044 14.921 1.00 0.00 O flip ATOM 787 ND2 ASN A 45 4.643 6.781 12.909 1.00 0.00 N flip ATOM 0 H ASN A 45 6.926 7.006 11.821 1.00 0.00 H new ATOM 0 HA ASN A 45 7.872 5.782 14.045 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.881 4.756 11.970 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.096 4.006 13.540 1.00 0.00 H new ATOM 0 HD21 ASN A 45 4.746 6.739 11.895 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.028 7.477 13.331 1.00 0.00 H new ATOM 794 N GLU A 46 9.521 4.020 13.560 1.00 0.00 N ATOM 795 CA GLU A 46 10.491 2.954 13.331 1.00 0.00 C ATOM 796 C GLU A 46 9.820 1.583 13.373 1.00 0.00 C ATOM 797 O GLU A 46 10.150 0.700 12.583 1.00 0.00 O ATOM 798 CB GLU A 46 11.594 3.018 14.392 1.00 0.00 C ATOM 799 CG GLU A 46 12.504 1.794 14.268 1.00 0.00 C ATOM 800 CD GLU A 46 13.789 2.017 15.056 1.00 0.00 C ATOM 801 OE1 GLU A 46 14.774 1.370 14.740 1.00 0.00 O ATOM 802 OE2 GLU A 46 13.770 2.831 15.964 1.00 0.00 O ATOM 0 H GLU A 46 9.639 4.516 14.443 1.00 0.00 H new ATOM 0 HA GLU A 46 10.924 3.096 12.341 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.177 3.930 14.269 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.152 3.055 15.388 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.989 0.908 14.640 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.738 1.610 13.220 1.00 0.00 H new ATOM 809 N PHE A 47 8.880 1.409 14.298 1.00 0.00 N ATOM 810 CA PHE A 47 8.181 0.136 14.420 1.00 0.00 C ATOM 811 C PHE A 47 7.409 -0.158 13.142 1.00 0.00 C ATOM 812 O PHE A 47 7.724 -1.098 12.413 1.00 0.00 O ATOM 813 CB PHE A 47 7.221 0.173 15.617 1.00 0.00 C ATOM 814 CG PHE A 47 7.067 -1.217 16.191 1.00 0.00 C ATOM 815 CD1 PHE A 47 5.847 -1.894 16.074 1.00 0.00 C ATOM 816 CD2 PHE A 47 8.147 -1.828 16.840 1.00 0.00 C ATOM 817 CE1 PHE A 47 5.707 -3.182 16.605 1.00 0.00 C ATOM 818 CE2 PHE A 47 8.007 -3.116 17.371 1.00 0.00 C ATOM 819 CZ PHE A 47 6.788 -3.792 17.254 1.00 0.00 C ATOM 0 H PHE A 47 8.588 2.123 14.965 1.00 0.00 H new ATOM 0 HA PHE A 47 8.914 -0.654 14.581 1.00 0.00 H new ATOM 0 HB2 PHE A 47 7.602 0.852 16.380 1.00 0.00 H new ATOM 0 HB3 PHE A 47 6.250 0.557 15.305 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.014 -1.423 15.574 1.00 0.00 H new ATOM 0 HD2 PHE A 47 9.088 -1.306 16.931 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.766 -3.705 16.514 1.00 0.00 H new ATOM 0 HE2 PHE A 47 8.840 -3.588 17.871 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.680 -4.785 17.664 1.00 0.00 H new ATOM 829 N ALA A 48 6.397 0.657 12.869 1.00 0.00 N ATOM 830 CA ALA A 48 5.595 0.474 11.666 1.00 0.00 C ATOM 831 C ALA A 48 6.499 0.171 10.477 1.00 0.00 C ATOM 832 O ALA A 48 6.513 -0.944 9.957 1.00 0.00 O ATOM 833 CB ALA A 48 4.795 1.745 11.379 1.00 0.00 C ATOM 0 H ALA A 48 6.115 1.442 13.456 1.00 0.00 H new ATOM 0 HA ALA A 48 4.912 -0.361 11.823 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.197 1.603 10.479 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.137 1.959 12.221 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.480 2.580 11.232 1.00 0.00 H new ATOM 839 N ARG A 49 7.253 1.182 10.063 1.00 0.00 N ATOM 840 CA ARG A 49 8.171 1.049 8.938 1.00 0.00 C ATOM 841 C ARG A 49 8.809 -0.339 8.905 1.00 0.00 C ATOM 842 O ARG A 49 8.978 -0.927 7.837 1.00 0.00 O ATOM 843 CB ARG A 49 9.261 2.116 9.049 1.00 0.00 C ATOM 844 CG ARG A 49 9.983 2.265 7.707 1.00 0.00 C ATOM 845 CD ARG A 49 10.920 3.480 7.753 1.00 0.00 C ATOM 846 NE ARG A 49 12.294 3.047 7.993 1.00 0.00 N ATOM 847 CZ ARG A 49 13.093 2.700 6.989 1.00 0.00 C ATOM 848 NH1 ARG A 49 12.653 2.735 5.761 1.00 0.00 N ATOM 849 NH2 ARG A 49 14.318 2.322 7.232 1.00 0.00 N ATOM 0 H ARG A 49 7.247 2.107 10.492 1.00 0.00 H new ATOM 0 HA ARG A 49 7.609 1.183 8.014 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.821 3.069 9.343 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.974 1.841 9.827 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.553 1.362 7.488 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.256 2.385 6.904 1.00 0.00 H new ATOM 0 HD2 ARG A 49 10.863 4.029 6.813 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.603 4.163 8.541 1.00 0.00 H new ATOM 0 HE ARG A 49 12.647 3.010 8.949 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.695 3.029 5.571 1.00 0.00 H new ATOM 0 HH12 ARG A 49 13.267 2.469 4.991 1.00 0.00 H new ATOM 0 HH21 ARG A 49 14.662 2.293 8.192 1.00 0.00 H new ATOM 0 HH22 ARG A 49 14.932 2.056 6.462 1.00 0.00 H new ATOM 863 N ASN A 50 9.170 -0.851 10.077 1.00 0.00 N ATOM 864 CA ASN A 50 9.798 -2.166 10.160 1.00 0.00 C ATOM 865 C ASN A 50 8.894 -3.231 9.542 1.00 0.00 C ATOM 866 O ASN A 50 9.332 -4.073 8.759 1.00 0.00 O ATOM 867 CB ASN A 50 10.057 -2.519 11.628 1.00 0.00 C ATOM 868 CG ASN A 50 11.082 -3.643 11.722 1.00 0.00 C ATOM 869 OD1 ASN A 50 10.794 -4.780 11.345 1.00 0.00 O ATOM 870 ND2 ASN A 50 12.270 -3.395 12.204 1.00 0.00 N ATOM 0 H ASN A 50 9.041 -0.382 10.974 1.00 0.00 H new ATOM 0 HA ASN A 50 10.740 -2.137 9.612 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.418 -1.641 12.163 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.126 -2.824 12.107 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.960 -4.143 12.269 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.507 -2.453 12.516 1.00 0.00 H new ATOM 877 N SER A 51 7.627 -3.182 9.943 1.00 0.00 N ATOM 878 CA SER A 51 6.611 -4.120 9.495 1.00 0.00 C ATOM 879 C SER A 51 6.045 -3.762 8.131 1.00 0.00 C ATOM 880 O SER A 51 6.042 -4.573 7.200 1.00 0.00 O ATOM 881 CB SER A 51 5.469 -4.062 10.495 1.00 0.00 C ATOM 882 OG SER A 51 4.683 -2.905 10.241 1.00 0.00 O ATOM 0 H SER A 51 7.276 -2.481 10.595 1.00 0.00 H new ATOM 0 HA SER A 51 7.068 -5.107 9.421 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.854 -4.959 10.415 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.861 -4.034 11.512 1.00 0.00 H new ATOM 0 HG SER A 51 5.215 -2.102 10.422 1.00 0.00 H new ATOM 888 N LEU A 52 5.557 -2.541 8.032 1.00 0.00 N ATOM 889 CA LEU A 52 4.969 -2.058 6.791 1.00 0.00 C ATOM 890 C LEU A 52 5.829 -2.451 5.595 1.00 0.00 C ATOM 891 O LEU A 52 5.344 -3.069 4.649 1.00 0.00 O ATOM 892 CB LEU A 52 4.815 -0.534 6.841 1.00 0.00 C ATOM 893 CG LEU A 52 3.568 -0.162 7.657 1.00 0.00 C ATOM 894 CD1 LEU A 52 3.528 1.355 7.861 1.00 0.00 C ATOM 895 CD2 LEU A 52 2.298 -0.610 6.914 1.00 0.00 C ATOM 0 H LEU A 52 5.554 -1.863 8.794 1.00 0.00 H new ATOM 0 HA LEU A 52 3.987 -2.516 6.677 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.701 -0.085 7.289 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.732 -0.135 5.830 1.00 0.00 H new ATOM 0 HG LEU A 52 3.612 -0.664 8.624 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.644 1.621 8.440 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.422 1.674 8.397 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.490 1.852 6.891 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.419 -0.342 7.501 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.251 -0.116 5.943 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.322 -1.690 6.770 1.00 0.00 H new ATOM 907 N ASN A 53 7.108 -2.085 5.639 1.00 0.00 N ATOM 908 CA ASN A 53 8.011 -2.406 4.543 1.00 0.00 C ATOM 909 C ASN A 53 8.309 -3.902 4.503 1.00 0.00 C ATOM 910 O ASN A 53 8.862 -4.403 3.525 1.00 0.00 O ATOM 911 CB ASN A 53 9.313 -1.610 4.673 1.00 0.00 C ATOM 912 CG ASN A 53 10.206 -2.229 5.744 1.00 0.00 C ATOM 913 OD1 ASN A 53 9.680 -3.012 6.645 1.00 0.00 O flip ATOM 914 ND2 ASN A 53 11.414 -1.991 5.759 1.00 0.00 N flip ATOM 0 H ASN A 53 7.535 -1.573 6.411 1.00 0.00 H new ATOM 0 HA ASN A 53 7.522 -2.130 3.609 1.00 0.00 H new ATOM 0 HB2 ASN A 53 9.836 -1.596 3.717 1.00 0.00 H new ATOM 0 HB3 ASN A 53 9.090 -0.574 4.929 1.00 0.00 H new ATOM 0 HD21 ASN A 53 11.822 -1.378 5.053 1.00 0.00 H new ATOM 0 HD22 ASN A 53 12.007 -2.407 6.478 1.00 0.00 H new ATOM 921 N ASP A 54 7.919 -4.620 5.554 1.00 0.00 N ATOM 922 CA ASP A 54 8.137 -6.061 5.586 1.00 0.00 C ATOM 923 C ASP A 54 7.173 -6.727 4.614 1.00 0.00 C ATOM 924 O ASP A 54 7.467 -7.775 4.038 1.00 0.00 O ATOM 925 CB ASP A 54 7.910 -6.605 6.999 1.00 0.00 C ATOM 926 CG ASP A 54 8.620 -7.946 7.163 1.00 0.00 C ATOM 927 OD1 ASP A 54 8.289 -8.862 6.427 1.00 0.00 O ATOM 928 OD2 ASP A 54 9.481 -8.037 8.021 1.00 0.00 O ATOM 0 H ASP A 54 7.459 -4.235 6.379 1.00 0.00 H new ATOM 0 HA ASP A 54 9.165 -6.277 5.296 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.284 -5.894 7.736 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.843 -6.724 7.184 1.00 0.00 H new ATOM 933 N ASN A 55 6.023 -6.087 4.432 1.00 0.00 N ATOM 934 CA ASN A 55 4.999 -6.586 3.520 1.00 0.00 C ATOM 935 C ASN A 55 4.208 -5.416 2.940 1.00 0.00 C ATOM 936 O ASN A 55 3.005 -5.291 3.172 1.00 0.00 O ATOM 937 CB ASN A 55 4.052 -7.534 4.260 1.00 0.00 C ATOM 938 CG ASN A 55 3.113 -8.211 3.268 1.00 0.00 C ATOM 939 OD1 ASN A 55 3.381 -9.324 2.817 1.00 0.00 O ATOM 940 ND2 ASN A 55 2.019 -7.601 2.898 1.00 0.00 N ATOM 0 H ASN A 55 5.776 -5.218 4.906 1.00 0.00 H new ATOM 0 HA ASN A 55 5.483 -7.130 2.709 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.626 -8.286 4.801 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.475 -6.980 5.000 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.386 -8.047 2.235 1.00 0.00 H new ATOM 0 HD22 ASN A 55 1.798 -6.678 3.273 1.00 0.00 H new ATOM 947 N SER A 56 4.898 -4.554 2.194 1.00 0.00 N ATOM 948 CA SER A 56 4.259 -3.384 1.595 1.00 0.00 C ATOM 949 C SER A 56 3.854 -3.656 0.150 1.00 0.00 C ATOM 950 O SER A 56 4.171 -2.875 -0.748 1.00 0.00 O ATOM 951 CB SER A 56 5.216 -2.192 1.635 1.00 0.00 C ATOM 952 OG SER A 56 4.631 -1.097 0.944 1.00 0.00 O ATOM 0 H SER A 56 5.894 -4.643 1.991 1.00 0.00 H new ATOM 0 HA SER A 56 3.361 -3.160 2.171 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.427 -1.914 2.668 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.168 -2.460 1.176 1.00 0.00 H new ATOM 0 HG SER A 56 4.580 -0.322 1.542 1.00 0.00 H new ATOM 958 N GLU A 57 3.142 -4.755 -0.069 1.00 0.00 N ATOM 959 CA GLU A 57 2.689 -5.102 -1.412 1.00 0.00 C ATOM 960 C GLU A 57 1.458 -4.277 -1.774 1.00 0.00 C ATOM 961 O GLU A 57 0.456 -4.812 -2.252 1.00 0.00 O ATOM 962 CB GLU A 57 2.354 -6.593 -1.482 1.00 0.00 C ATOM 963 CG GLU A 57 3.412 -7.392 -0.719 1.00 0.00 C ATOM 964 CD GLU A 57 3.196 -8.886 -0.936 1.00 0.00 C ATOM 965 OE1 GLU A 57 3.209 -9.616 0.042 1.00 0.00 O ATOM 966 OE2 GLU A 57 3.022 -9.280 -2.078 1.00 0.00 O ATOM 0 H GLU A 57 2.868 -5.416 0.658 1.00 0.00 H new ATOM 0 HA GLU A 57 3.486 -4.884 -2.122 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.368 -6.775 -1.055 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.316 -6.919 -2.521 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.408 -7.108 -1.057 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.358 -7.159 0.345 1.00 0.00 H new ATOM 973 N ILE A 58 1.538 -2.974 -1.525 1.00 0.00 N ATOM 974 CA ILE A 58 0.424 -2.075 -1.807 1.00 0.00 C ATOM 975 C ILE A 58 0.101 -2.039 -3.302 1.00 0.00 C ATOM 976 O ILE A 58 -0.809 -1.329 -3.727 1.00 0.00 O ATOM 977 CB ILE A 58 0.756 -0.665 -1.314 1.00 0.00 C ATOM 978 CG1 ILE A 58 1.293 -0.734 0.121 1.00 0.00 C ATOM 979 CG2 ILE A 58 -0.496 0.214 -1.353 1.00 0.00 C ATOM 980 CD1 ILE A 58 0.327 -1.531 1.004 1.00 0.00 C ATOM 0 H ILE A 58 2.360 -2.518 -1.130 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.454 -2.450 -1.280 1.00 0.00 H new ATOM 0 HB ILE A 58 1.515 -0.231 -1.965 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.277 -1.204 0.128 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.418 0.273 0.520 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.249 1.215 -1.000 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.869 0.271 -2.376 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.264 -0.218 -0.711 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.716 -1.575 2.021 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.648 -1.043 1.009 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.225 -2.542 0.611 1.00 0.00 H new ATOM 992 N ILE A 59 0.838 -2.810 -4.096 1.00 0.00 N ATOM 993 CA ILE A 59 0.595 -2.852 -5.537 1.00 0.00 C ATOM 994 C ILE A 59 -0.439 -3.933 -5.858 1.00 0.00 C ATOM 995 O ILE A 59 -1.203 -3.816 -6.816 1.00 0.00 O ATOM 996 CB ILE A 59 1.908 -3.117 -6.283 1.00 0.00 C ATOM 997 CG1 ILE A 59 1.616 -3.473 -7.747 1.00 0.00 C ATOM 998 CG2 ILE A 59 2.657 -4.271 -5.612 1.00 0.00 C ATOM 999 CD1 ILE A 59 2.822 -3.100 -8.614 1.00 0.00 C ATOM 0 H ILE A 59 1.599 -3.407 -3.773 1.00 0.00 H new ATOM 0 HA ILE A 59 0.203 -1.889 -5.864 1.00 0.00 H new ATOM 0 HB ILE A 59 2.524 -2.218 -6.251 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.405 -4.538 -7.838 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.729 -2.942 -8.092 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.590 -4.457 -6.144 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.876 -4.010 -4.577 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.039 -5.169 -5.637 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.615 -3.353 -9.654 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.012 -2.030 -8.532 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.699 -3.651 -8.274 1.00 0.00 H new ATOM 1011 N HIS A 60 -0.471 -4.966 -5.022 1.00 0.00 N ATOM 1012 CA HIS A 60 -1.429 -6.061 -5.172 1.00 0.00 C ATOM 1013 C HIS A 60 -2.860 -5.530 -5.192 1.00 0.00 C ATOM 1014 O HIS A 60 -3.782 -6.249 -5.577 1.00 0.00 O ATOM 1015 CB HIS A 60 -1.271 -7.044 -4.005 1.00 0.00 C ATOM 1016 CG HIS A 60 -0.204 -8.056 -4.332 1.00 0.00 C ATOM 1017 ND1 HIS A 60 1.135 -7.714 -4.430 1.00 0.00 N ATOM 1018 CD2 HIS A 60 -0.267 -9.403 -4.585 1.00 0.00 C ATOM 1019 CE1 HIS A 60 1.819 -8.834 -4.730 1.00 0.00 C ATOM 1020 NE2 HIS A 60 1.011 -9.893 -4.836 1.00 0.00 N ATOM 0 H HIS A 60 0.160 -5.070 -4.227 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.230 -6.567 -6.116 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.007 -6.504 -3.096 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.217 -7.549 -3.812 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.171 -9.993 -4.589 1.00 0.00 H new ATOM 0 HE1 HIS A 60 2.889 -8.872 -4.868 1.00 0.00 H new ATOM 0 HE2 HIS A 60 1.274 -10.854 -5.054 1.00 0.00 H new ATOM 1029 N LEU A 61 -3.049 -4.280 -4.789 1.00 0.00 N ATOM 1030 CA LEU A 61 -4.383 -3.681 -4.780 1.00 0.00 C ATOM 1031 C LEU A 61 -4.363 -2.372 -5.559 1.00 0.00 C ATOM 1032 O LEU A 61 -5.215 -2.129 -6.413 1.00 0.00 O ATOM 1033 CB LEU A 61 -4.841 -3.425 -3.334 1.00 0.00 C ATOM 1034 CG LEU A 61 -3.946 -4.196 -2.357 1.00 0.00 C ATOM 1035 CD1 LEU A 61 -2.632 -3.433 -2.151 1.00 0.00 C ATOM 1036 CD2 LEU A 61 -4.662 -4.339 -1.010 1.00 0.00 C ATOM 0 H LEU A 61 -2.304 -3.663 -4.466 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.084 -4.369 -5.252 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.799 -2.358 -3.114 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.879 -3.735 -3.212 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.735 -5.184 -2.767 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.997 -3.983 -1.456 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.118 -3.328 -3.107 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.845 -2.445 -1.744 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.025 -4.887 -0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.874 -3.350 -0.604 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.597 -4.882 -1.151 1.00 0.00 H new ATOM 1048 N ALA A 62 -3.381 -1.534 -5.253 1.00 0.00 N ATOM 1049 CA ALA A 62 -3.250 -0.247 -5.923 1.00 0.00 C ATOM 1050 C ALA A 62 -3.018 -0.428 -7.424 1.00 0.00 C ATOM 1051 O ALA A 62 -2.722 0.535 -8.131 1.00 0.00 O ATOM 1052 CB ALA A 62 -2.081 0.532 -5.318 1.00 0.00 C ATOM 0 H ALA A 62 -2.667 -1.721 -4.549 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.178 0.306 -5.782 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.986 1.494 -5.821 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.263 0.695 -4.256 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.160 -0.037 -5.445 1.00 0.00 H new ATOM 1058 N GLU A 63 -3.154 -1.661 -7.906 1.00 0.00 N ATOM 1059 CA GLU A 63 -2.955 -1.937 -9.329 1.00 0.00 C ATOM 1060 C GLU A 63 -4.268 -1.795 -10.093 1.00 0.00 C ATOM 1061 O GLU A 63 -4.459 -2.416 -11.139 1.00 0.00 O ATOM 1062 CB GLU A 63 -2.401 -3.352 -9.523 1.00 0.00 C ATOM 1063 CG GLU A 63 -3.300 -4.359 -8.799 1.00 0.00 C ATOM 1064 CD GLU A 63 -2.747 -5.769 -8.969 1.00 0.00 C ATOM 1065 OE1 GLU A 63 -1.946 -5.968 -9.868 1.00 0.00 O ATOM 1066 OE2 GLU A 63 -3.133 -6.632 -8.198 1.00 0.00 O ATOM 0 H GLU A 63 -3.398 -2.476 -7.343 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.239 -1.213 -9.718 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.351 -3.592 -10.585 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.384 -3.412 -9.135 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.361 -4.109 -7.740 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.313 -4.307 -9.198 1.00 0.00 H new ATOM 1073 N SER A 64 -5.173 -0.978 -9.560 1.00 0.00 N ATOM 1074 CA SER A 64 -6.473 -0.761 -10.193 1.00 0.00 C ATOM 1075 C SER A 64 -6.680 0.717 -10.507 1.00 0.00 C ATOM 1076 O SER A 64 -6.700 1.121 -11.670 1.00 0.00 O ATOM 1077 CB SER A 64 -7.589 -1.238 -9.262 1.00 0.00 C ATOM 1078 OG SER A 64 -7.497 -0.541 -8.026 1.00 0.00 O ATOM 0 H SER A 64 -5.032 -0.457 -8.695 1.00 0.00 H new ATOM 0 HA SER A 64 -6.500 -1.328 -11.124 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.562 -1.062 -9.721 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.505 -2.312 -9.095 1.00 0.00 H new ATOM 0 HG SER A 64 -6.827 -0.973 -7.456 1.00 0.00 H new ATOM 1084 N LEU A 65 -6.842 1.514 -9.458 1.00 0.00 N ATOM 1085 CA LEU A 65 -7.057 2.948 -9.612 1.00 0.00 C ATOM 1086 C LEU A 65 -6.182 3.515 -10.729 1.00 0.00 C ATOM 1087 O LEU A 65 -6.533 4.513 -11.358 1.00 0.00 O ATOM 1088 CB LEU A 65 -6.736 3.659 -8.287 1.00 0.00 C ATOM 1089 CG LEU A 65 -7.944 4.480 -7.814 1.00 0.00 C ATOM 1090 CD1 LEU A 65 -8.341 5.494 -8.900 1.00 0.00 C ATOM 1091 CD2 LEU A 65 -9.126 3.539 -7.511 1.00 0.00 C ATOM 0 H LEU A 65 -6.829 1.192 -8.490 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.101 3.116 -9.878 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.468 2.924 -7.528 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.873 4.312 -8.417 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.679 5.020 -6.905 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.199 6.074 -8.560 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.504 6.164 -9.095 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.602 4.963 -9.815 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.981 4.126 -7.176 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.394 2.990 -8.413 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.840 2.835 -6.729 1.00 0.00 H new ATOM 1103 N TYR A 66 -5.042 2.873 -10.968 1.00 0.00 N ATOM 1104 CA TYR A 66 -4.121 3.325 -12.009 1.00 0.00 C ATOM 1105 C TYR A 66 -3.935 2.238 -13.063 1.00 0.00 C ATOM 1106 O TYR A 66 -4.378 1.103 -12.885 1.00 0.00 O ATOM 1107 CB TYR A 66 -2.762 3.668 -11.393 1.00 0.00 C ATOM 1108 CG TYR A 66 -2.952 4.557 -10.184 1.00 0.00 C ATOM 1109 CD1 TYR A 66 -2.777 5.941 -10.300 1.00 0.00 C ATOM 1110 CD2 TYR A 66 -3.291 3.995 -8.946 1.00 0.00 C ATOM 1111 CE1 TYR A 66 -2.942 6.764 -9.179 1.00 0.00 C ATOM 1112 CE2 TYR A 66 -3.457 4.821 -7.825 1.00 0.00 C ATOM 1113 CZ TYR A 66 -3.283 6.204 -7.943 1.00 0.00 C ATOM 1114 OH TYR A 66 -3.444 7.016 -6.839 1.00 0.00 O ATOM 0 H TYR A 66 -4.734 2.044 -10.460 1.00 0.00 H new ATOM 0 HA TYR A 66 -4.543 4.213 -12.480 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -2.243 2.754 -11.105 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -2.136 4.171 -12.130 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -2.515 6.374 -11.254 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.424 2.927 -8.855 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.806 7.832 -9.269 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.719 4.389 -6.870 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.681 6.468 -6.062 1.00 0.00 H new ATOM 1124 N GLU A 67 -3.275 2.592 -14.162 1.00 0.00 N ATOM 1125 CA GLU A 67 -3.036 1.637 -15.239 1.00 0.00 C ATOM 1126 C GLU A 67 -2.245 0.439 -14.725 1.00 0.00 C ATOM 1127 O GLU A 67 -2.403 -0.678 -15.217 1.00 0.00 O ATOM 1128 CB GLU A 67 -2.266 2.313 -16.376 1.00 0.00 C ATOM 1129 CG GLU A 67 -0.930 2.836 -15.848 1.00 0.00 C ATOM 1130 CD GLU A 67 -0.313 3.802 -16.854 1.00 0.00 C ATOM 1131 OE1 GLU A 67 0.601 4.517 -16.477 1.00 0.00 O ATOM 1132 OE2 GLU A 67 -0.763 3.813 -17.988 1.00 0.00 O ATOM 0 H GLU A 67 -2.899 3.525 -14.330 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.999 1.288 -15.612 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.096 1.604 -17.186 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.852 3.134 -16.789 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.079 3.339 -14.893 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.250 2.003 -15.667 1.00 0.00 H new ATOM 1139 N GLY A 68 -1.394 0.680 -13.733 1.00 0.00 N ATOM 1140 CA GLY A 68 -0.582 -0.388 -13.158 1.00 0.00 C ATOM 1141 C GLY A 68 0.625 0.184 -12.422 1.00 0.00 C ATOM 1142 O GLY A 68 1.713 0.296 -12.986 1.00 0.00 O ATOM 0 H GLY A 68 -1.249 1.598 -13.313 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.186 -0.980 -12.470 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.247 -1.061 -13.947 1.00 0.00 H new ATOM 1146 N ILE A 69 0.422 0.547 -11.160 1.00 0.00 N ATOM 1147 CA ILE A 69 1.500 1.108 -10.354 1.00 0.00 C ATOM 1148 C ILE A 69 2.763 0.266 -10.493 1.00 0.00 C ATOM 1149 O ILE A 69 2.693 -0.953 -10.649 1.00 0.00 O ATOM 1150 CB ILE A 69 1.083 1.161 -8.881 1.00 0.00 C ATOM 1151 CG1 ILE A 69 -0.197 2.001 -8.732 1.00 0.00 C ATOM 1152 CG2 ILE A 69 2.212 1.778 -8.050 1.00 0.00 C ATOM 1153 CD1 ILE A 69 0.145 3.493 -8.651 1.00 0.00 C ATOM 0 H ILE A 69 -0.472 0.464 -10.676 1.00 0.00 H new ATOM 0 HA ILE A 69 1.705 2.118 -10.709 1.00 0.00 H new ATOM 0 HB ILE A 69 0.887 0.150 -8.525 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.859 1.819 -9.579 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.736 1.696 -7.835 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.914 1.815 -7.002 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.111 1.170 -8.150 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.415 2.788 -8.405 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.773 4.071 -8.546 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.788 3.673 -7.789 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.663 3.797 -9.560 1.00 0.00 H new ATOM 1165 N LYS A 70 3.917 0.923 -10.430 1.00 0.00 N ATOM 1166 CA LYS A 70 5.190 0.222 -10.543 1.00 0.00 C ATOM 1167 C LYS A 70 5.601 -0.344 -9.186 1.00 0.00 C ATOM 1168 O LYS A 70 6.123 -1.456 -9.098 1.00 0.00 O ATOM 1169 CB LYS A 70 6.272 1.188 -11.055 1.00 0.00 C ATOM 1170 CG LYS A 70 6.848 0.677 -12.384 1.00 0.00 C ATOM 1171 CD LYS A 70 5.816 0.863 -13.507 1.00 0.00 C ATOM 1172 CE LYS A 70 6.042 2.208 -14.210 1.00 0.00 C ATOM 1173 NZ LYS A 70 6.429 3.240 -13.206 1.00 0.00 N ATOM 0 H LYS A 70 3.997 1.932 -10.302 1.00 0.00 H new ATOM 0 HA LYS A 70 5.079 -0.601 -11.249 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.848 2.183 -11.192 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.068 1.280 -10.316 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.763 1.218 -12.626 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.115 -0.376 -12.294 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.899 0.049 -14.227 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.807 0.823 -13.096 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.823 2.109 -14.964 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.134 2.515 -14.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.482 4.170 -13.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.718 3.270 -12.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.357 3.000 -12.802 1.00 0.00 H new ATOM 1187 N SER A 71 5.360 0.430 -8.134 1.00 0.00 N ATOM 1188 CA SER A 71 5.709 -0.002 -6.786 1.00 0.00 C ATOM 1189 C SER A 71 5.216 1.007 -5.752 1.00 0.00 C ATOM 1190 O SER A 71 4.683 2.060 -6.101 1.00 0.00 O ATOM 1191 CB SER A 71 7.224 -0.162 -6.663 1.00 0.00 C ATOM 1192 OG SER A 71 7.567 -0.349 -5.297 1.00 0.00 O ATOM 0 H SER A 71 4.928 1.352 -8.187 1.00 0.00 H new ATOM 0 HA SER A 71 5.226 -0.961 -6.598 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.560 -1.014 -7.254 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.728 0.720 -7.059 1.00 0.00 H new ATOM 0 HG SER A 71 8.538 -0.454 -5.215 1.00 0.00 H new ATOM 1198 N VAL A 72 5.405 0.675 -4.479 1.00 0.00 N ATOM 1199 CA VAL A 72 4.985 1.550 -3.387 1.00 0.00 C ATOM 1200 C VAL A 72 5.920 1.380 -2.193 1.00 0.00 C ATOM 1201 O VAL A 72 6.443 0.291 -1.959 1.00 0.00 O ATOM 1202 CB VAL A 72 3.555 1.210 -2.964 1.00 0.00 C ATOM 1203 CG1 VAL A 72 3.005 2.315 -2.061 1.00 0.00 C ATOM 1204 CG2 VAL A 72 2.666 1.077 -4.204 1.00 0.00 C ATOM 0 H VAL A 72 5.846 -0.194 -4.177 1.00 0.00 H new ATOM 0 HA VAL A 72 5.024 2.583 -3.732 1.00 0.00 H new ATOM 0 HB VAL A 72 3.561 0.266 -2.419 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.986 2.068 -1.763 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.631 2.405 -1.173 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.005 3.261 -2.602 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.648 0.835 -3.898 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.665 2.018 -4.754 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.051 0.283 -4.844 1.00 0.00 H new ATOM 1214 N ASN A 73 6.131 2.460 -1.440 1.00 0.00 N ATOM 1215 CA ASN A 73 7.014 2.394 -0.279 1.00 0.00 C ATOM 1216 C ASN A 73 6.988 3.688 0.535 1.00 0.00 C ATOM 1217 O ASN A 73 6.614 4.754 0.042 1.00 0.00 O ATOM 1218 CB ASN A 73 8.448 2.112 -0.735 1.00 0.00 C ATOM 1219 CG ASN A 73 9.255 1.509 0.411 1.00 0.00 C ATOM 1220 OD1 ASN A 73 9.355 2.105 1.483 1.00 0.00 O ATOM 1221 ND2 ASN A 73 9.839 0.353 0.249 1.00 0.00 N ATOM 0 H ASN A 73 5.711 3.374 -1.609 1.00 0.00 H new ATOM 0 HA ASN A 73 6.655 1.587 0.360 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.440 1.428 -1.583 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.918 3.035 -1.074 1.00 0.00 H new ATOM 0 HD21 ASN A 73 10.379 -0.057 1.011 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.756 -0.140 -0.640 1.00 0.00 H new ATOM 1228 N PHE A 74 7.406 3.570 1.793 1.00 0.00 N ATOM 1229 CA PHE A 74 7.458 4.708 2.708 1.00 0.00 C ATOM 1230 C PHE A 74 8.820 4.735 3.392 1.00 0.00 C ATOM 1231 O PHE A 74 9.430 3.688 3.612 1.00 0.00 O ATOM 1232 CB PHE A 74 6.343 4.593 3.761 1.00 0.00 C ATOM 1233 CG PHE A 74 5.647 3.257 3.621 1.00 0.00 C ATOM 1234 CD1 PHE A 74 4.281 3.204 3.318 1.00 0.00 C ATOM 1235 CD2 PHE A 74 6.372 2.071 3.795 1.00 0.00 C ATOM 1236 CE1 PHE A 74 3.640 1.965 3.187 1.00 0.00 C ATOM 1237 CE2 PHE A 74 5.731 0.834 3.664 1.00 0.00 C ATOM 1238 CZ PHE A 74 4.366 0.781 3.361 1.00 0.00 C ATOM 0 H PHE A 74 7.716 2.690 2.205 1.00 0.00 H new ATOM 0 HA PHE A 74 7.311 5.631 2.148 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.763 4.692 4.762 1.00 0.00 H new ATOM 0 HB3 PHE A 74 5.625 5.403 3.635 1.00 0.00 H new ATOM 0 HD1 PHE A 74 3.721 4.118 3.185 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.425 2.111 4.030 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.587 1.924 2.952 1.00 0.00 H new ATOM 0 HE2 PHE A 74 6.290 -0.080 3.797 1.00 0.00 H new ATOM 0 HZ PHE A 74 3.872 -0.174 3.261 1.00 0.00 H new ATOM 1248 N VAL A 75 9.303 5.928 3.718 1.00 0.00 N ATOM 1249 CA VAL A 75 10.606 6.051 4.366 1.00 0.00 C ATOM 1250 C VAL A 75 10.597 7.164 5.408 1.00 0.00 C ATOM 1251 O VAL A 75 9.548 7.511 5.945 1.00 0.00 O ATOM 1252 CB VAL A 75 11.676 6.336 3.316 1.00 0.00 C ATOM 1253 CG1 VAL A 75 11.645 5.242 2.246 1.00 0.00 C ATOM 1254 CG2 VAL A 75 11.401 7.695 2.664 1.00 0.00 C ATOM 0 H VAL A 75 8.822 6.812 3.548 1.00 0.00 H new ATOM 0 HA VAL A 75 10.828 5.111 4.872 1.00 0.00 H new ATOM 0 HB VAL A 75 12.657 6.352 3.791 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.409 5.445 1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.839 4.275 2.709 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.664 5.226 1.770 1.00 0.00 H new ATOM 0 HG21 VAL A 75 12.165 7.900 1.914 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.420 7.679 2.188 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.422 8.475 3.425 1.00 0.00 H new ATOM 1264 N ASN A 76 11.775 7.715 5.697 1.00 0.00 N ATOM 1265 CA ASN A 76 11.886 8.785 6.685 1.00 0.00 C ATOM 1266 C ASN A 76 12.122 10.130 6.001 1.00 0.00 C ATOM 1267 O ASN A 76 12.519 10.187 4.838 1.00 0.00 O ATOM 1268 CB ASN A 76 13.036 8.487 7.653 1.00 0.00 C ATOM 1269 CG ASN A 76 13.162 6.981 7.864 1.00 0.00 C ATOM 1270 OD1 ASN A 76 12.159 6.296 8.069 1.00 0.00 O ATOM 1271 ND2 ASN A 76 14.340 6.423 7.827 1.00 0.00 N ATOM 0 H ASN A 76 12.658 7.441 5.265 1.00 0.00 H new ATOM 0 HA ASN A 76 10.950 8.837 7.241 1.00 0.00 H new ATOM 0 HB2 ASN A 76 13.969 8.886 7.256 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.857 8.983 8.607 1.00 0.00 H new ATOM 0 HD21 ASN A 76 14.432 5.417 7.968 1.00 0.00 H new ATOM 0 HD22 ASN A 76 15.169 6.992 7.657 1.00 0.00 H new ATOM 1278 N GLU A 77 11.860 11.207 6.734 1.00 0.00 N ATOM 1279 CA GLU A 77 12.026 12.556 6.205 1.00 0.00 C ATOM 1280 C GLU A 77 13.217 12.644 5.256 1.00 0.00 C ATOM 1281 O GLU A 77 13.047 12.841 4.053 1.00 0.00 O ATOM 1282 CB GLU A 77 12.218 13.545 7.358 1.00 0.00 C ATOM 1283 CG GLU A 77 12.302 14.973 6.807 1.00 0.00 C ATOM 1284 CD GLU A 77 13.719 15.266 6.324 1.00 0.00 C ATOM 1285 OE1 GLU A 77 14.647 14.954 7.052 1.00 0.00 O ATOM 1286 OE2 GLU A 77 13.855 15.799 5.235 1.00 0.00 O ATOM 0 H GLU A 77 11.531 11.172 7.699 1.00 0.00 H new ATOM 0 HA GLU A 77 11.126 12.807 5.644 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.389 13.464 8.061 1.00 0.00 H new ATOM 0 HB3 GLU A 77 13.127 13.304 7.909 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.597 15.096 5.985 1.00 0.00 H new ATOM 0 HG3 GLU A 77 12.018 15.687 7.580 1.00 0.00 H new ATOM 1293 N GLN A 78 14.421 12.512 5.802 1.00 0.00 N ATOM 1294 CA GLN A 78 15.630 12.596 4.989 1.00 0.00 C ATOM 1295 C GLN A 78 15.555 11.655 3.792 1.00 0.00 C ATOM 1296 O GLN A 78 15.797 12.061 2.658 1.00 0.00 O ATOM 1297 CB GLN A 78 16.855 12.250 5.840 1.00 0.00 C ATOM 1298 CG GLN A 78 18.125 12.726 5.133 1.00 0.00 C ATOM 1299 CD GLN A 78 19.336 12.502 6.034 1.00 0.00 C ATOM 1300 OE1 GLN A 78 19.781 13.423 6.719 1.00 0.00 O ATOM 1301 NE2 GLN A 78 19.899 11.325 6.073 1.00 0.00 N ATOM 0 H GLN A 78 14.586 12.348 6.795 1.00 0.00 H new ATOM 0 HA GLN A 78 15.718 13.617 4.618 1.00 0.00 H new ATOM 0 HB2 GLN A 78 16.774 12.721 6.820 1.00 0.00 H new ATOM 0 HB3 GLN A 78 16.902 11.174 6.007 1.00 0.00 H new ATOM 0 HG2 GLN A 78 18.254 12.186 4.195 1.00 0.00 H new ATOM 0 HG3 GLN A 78 18.038 13.783 4.883 1.00 0.00 H new ATOM 0 HE21 GLN A 78 19.529 10.563 5.505 1.00 0.00 H new ATOM 0 HE22 GLN A 78 20.709 11.167 6.672 1.00 0.00 H new ATOM 1310 N ASP A 79 15.227 10.396 4.047 1.00 0.00 N ATOM 1311 CA ASP A 79 15.135 9.417 2.970 1.00 0.00 C ATOM 1312 C ASP A 79 14.241 9.936 1.843 1.00 0.00 C ATOM 1313 O ASP A 79 14.697 10.116 0.713 1.00 0.00 O ATOM 1314 CB ASP A 79 14.581 8.099 3.508 1.00 0.00 C ATOM 1315 CG ASP A 79 15.661 7.361 4.292 1.00 0.00 C ATOM 1316 OD1 ASP A 79 15.808 7.645 5.470 1.00 0.00 O ATOM 1317 OD2 ASP A 79 16.323 6.522 3.705 1.00 0.00 O ATOM 0 H ASP A 79 15.022 10.031 4.977 1.00 0.00 H new ATOM 0 HA ASP A 79 16.135 9.250 2.570 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.721 8.291 4.150 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.231 7.479 2.683 1.00 0.00 H new ATOM 1322 N PHE A 80 12.968 10.178 2.154 1.00 0.00 N ATOM 1323 CA PHE A 80 12.029 10.682 1.152 1.00 0.00 C ATOM 1324 C PHE A 80 12.701 11.740 0.280 1.00 0.00 C ATOM 1325 O PHE A 80 12.597 11.706 -0.946 1.00 0.00 O ATOM 1326 CB PHE A 80 10.803 11.280 1.856 1.00 0.00 C ATOM 1327 CG PHE A 80 10.038 12.176 0.905 1.00 0.00 C ATOM 1328 CD1 PHE A 80 9.756 13.500 1.263 1.00 0.00 C ATOM 1329 CD2 PHE A 80 9.606 11.680 -0.331 1.00 0.00 C ATOM 1330 CE1 PHE A 80 9.043 14.327 0.387 1.00 0.00 C ATOM 1331 CE2 PHE A 80 8.893 12.507 -1.208 1.00 0.00 C ATOM 1332 CZ PHE A 80 8.612 13.831 -0.849 1.00 0.00 C ATOM 0 H PHE A 80 12.566 10.035 3.081 1.00 0.00 H new ATOM 0 HA PHE A 80 11.713 9.858 0.513 1.00 0.00 H new ATOM 0 HB2 PHE A 80 10.155 10.480 2.214 1.00 0.00 H new ATOM 0 HB3 PHE A 80 11.119 11.850 2.730 1.00 0.00 H new ATOM 0 HD1 PHE A 80 10.089 13.884 2.216 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.823 10.659 -0.608 1.00 0.00 H new ATOM 0 HE1 PHE A 80 8.825 15.348 0.665 1.00 0.00 H new ATOM 0 HE2 PHE A 80 8.560 12.124 -2.161 1.00 0.00 H new ATOM 0 HZ PHE A 80 8.063 14.469 -1.525 1.00 0.00 H new ATOM 1342 N PHE A 81 13.395 12.675 0.923 1.00 0.00 N ATOM 1343 CA PHE A 81 14.087 13.733 0.195 1.00 0.00 C ATOM 1344 C PHE A 81 15.041 13.136 -0.833 1.00 0.00 C ATOM 1345 O PHE A 81 14.833 13.263 -2.039 1.00 0.00 O ATOM 1346 CB PHE A 81 14.875 14.613 1.168 1.00 0.00 C ATOM 1347 CG PHE A 81 15.452 15.795 0.425 1.00 0.00 C ATOM 1348 CD1 PHE A 81 14.599 16.774 -0.100 1.00 0.00 C ATOM 1349 CD2 PHE A 81 16.837 15.910 0.256 1.00 0.00 C ATOM 1350 CE1 PHE A 81 15.132 17.868 -0.792 1.00 0.00 C ATOM 1351 CE2 PHE A 81 17.370 17.005 -0.436 1.00 0.00 C ATOM 1352 CZ PHE A 81 16.518 17.983 -0.960 1.00 0.00 C ATOM 0 H PHE A 81 13.493 12.722 1.937 1.00 0.00 H new ATOM 0 HA PHE A 81 13.342 14.339 -0.320 1.00 0.00 H new ATOM 0 HB2 PHE A 81 14.224 14.958 1.972 1.00 0.00 H new ATOM 0 HB3 PHE A 81 15.675 14.035 1.631 1.00 0.00 H new ATOM 0 HD1 PHE A 81 13.530 16.685 0.029 1.00 0.00 H new ATOM 0 HD2 PHE A 81 17.495 15.154 0.659 1.00 0.00 H new ATOM 0 HE1 PHE A 81 14.475 18.623 -1.196 1.00 0.00 H new ATOM 0 HE2 PHE A 81 18.439 17.094 -0.565 1.00 0.00 H new ATOM 0 HZ PHE A 81 16.929 18.827 -1.494 1.00 0.00 H new ATOM 1362 N PHE A 82 16.092 12.483 -0.340 1.00 0.00 N ATOM 1363 CA PHE A 82 17.088 11.862 -1.211 1.00 0.00 C ATOM 1364 C PHE A 82 16.435 11.286 -2.467 1.00 0.00 C ATOM 1365 O PHE A 82 17.054 11.232 -3.528 1.00 0.00 O ATOM 1366 CB PHE A 82 17.812 10.744 -0.455 1.00 0.00 C ATOM 1367 CG PHE A 82 19.102 10.401 -1.166 1.00 0.00 C ATOM 1368 CD1 PHE A 82 20.176 11.298 -1.135 1.00 0.00 C ATOM 1369 CD2 PHE A 82 19.223 9.187 -1.854 1.00 0.00 C ATOM 1370 CE1 PHE A 82 21.372 10.982 -1.791 1.00 0.00 C ATOM 1371 CE2 PHE A 82 20.418 8.871 -2.510 1.00 0.00 C ATOM 1372 CZ PHE A 82 21.492 9.768 -2.478 1.00 0.00 C ATOM 0 H PHE A 82 16.276 12.370 0.657 1.00 0.00 H new ATOM 0 HA PHE A 82 17.803 12.628 -1.512 1.00 0.00 H new ATOM 0 HB2 PHE A 82 18.022 11.059 0.567 1.00 0.00 H new ATOM 0 HB3 PHE A 82 17.174 9.862 -0.392 1.00 0.00 H new ATOM 0 HD1 PHE A 82 20.082 12.234 -0.605 1.00 0.00 H new ATOM 0 HD2 PHE A 82 18.394 8.495 -1.878 1.00 0.00 H new ATOM 0 HE1 PHE A 82 22.201 11.674 -1.767 1.00 0.00 H new ATOM 0 HE2 PHE A 82 20.512 7.935 -3.041 1.00 0.00 H new ATOM 0 HZ PHE A 82 22.414 9.523 -2.984 1.00 0.00 H new ATOM 1382 N ASN A 83 15.185 10.854 -2.335 1.00 0.00 N ATOM 1383 CA ASN A 83 14.466 10.281 -3.468 1.00 0.00 C ATOM 1384 C ASN A 83 14.010 11.374 -4.431 1.00 0.00 C ATOM 1385 O ASN A 83 14.268 11.300 -5.633 1.00 0.00 O ATOM 1386 CB ASN A 83 13.252 9.493 -2.969 1.00 0.00 C ATOM 1387 CG ASN A 83 12.764 8.541 -4.056 1.00 0.00 C ATOM 1388 OD1 ASN A 83 11.658 8.806 -4.695 1.00 0.00 O flip ATOM 1389 ND2 ASN A 83 13.408 7.528 -4.330 1.00 0.00 N flip ATOM 0 H ASN A 83 14.653 10.889 -1.465 1.00 0.00 H new ATOM 0 HA ASN A 83 15.142 9.611 -4.000 1.00 0.00 H new ATOM 0 HB2 ASN A 83 13.516 8.930 -2.074 1.00 0.00 H new ATOM 0 HB3 ASN A 83 12.453 10.179 -2.690 1.00 0.00 H new ATOM 0 HD21 ASN A 83 14.273 7.322 -3.829 1.00 0.00 H new ATOM 0 HD22 ASN A 83 13.077 6.894 -5.058 1.00 0.00 H new ATOM 1396 N LEU A 84 13.329 12.386 -3.900 1.00 0.00 N ATOM 1397 CA LEU A 84 12.843 13.485 -4.728 1.00 0.00 C ATOM 1398 C LEU A 84 13.964 14.480 -5.006 1.00 0.00 C ATOM 1399 O LEU A 84 13.861 15.313 -5.906 1.00 0.00 O ATOM 1400 CB LEU A 84 11.677 14.195 -4.027 1.00 0.00 C ATOM 1401 CG LEU A 84 12.201 15.121 -2.910 1.00 0.00 C ATOM 1402 CD1 LEU A 84 12.314 16.563 -3.425 1.00 0.00 C ATOM 1403 CD2 LEU A 84 11.232 15.088 -1.723 1.00 0.00 C ATOM 0 H LEU A 84 13.103 12.468 -2.909 1.00 0.00 H new ATOM 0 HA LEU A 84 12.495 13.077 -5.677 1.00 0.00 H new ATOM 0 HB2 LEU A 84 11.109 14.777 -4.753 1.00 0.00 H new ATOM 0 HB3 LEU A 84 10.995 13.457 -3.605 1.00 0.00 H new ATOM 0 HG LEU A 84 13.186 14.773 -2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 84 12.685 17.206 -2.627 1.00 0.00 H new ATOM 0 HD12 LEU A 84 13.005 16.595 -4.268 1.00 0.00 H new ATOM 0 HD13 LEU A 84 11.333 16.913 -3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 84 11.602 15.742 -0.933 1.00 0.00 H new ATOM 0 HD22 LEU A 84 10.249 15.429 -2.046 1.00 0.00 H new ATOM 0 HD23 LEU A 84 11.156 14.069 -1.344 1.00 0.00 H new ATOM 1415 N ALA A 85 15.032 14.384 -4.226 1.00 0.00 N ATOM 1416 CA ALA A 85 16.169 15.283 -4.393 1.00 0.00 C ATOM 1417 C ALA A 85 17.023 14.851 -5.580 1.00 0.00 C ATOM 1418 O ALA A 85 17.614 15.684 -6.268 1.00 0.00 O ATOM 1419 CB ALA A 85 17.021 15.292 -3.122 1.00 0.00 C ATOM 0 H ALA A 85 15.136 13.699 -3.477 1.00 0.00 H new ATOM 0 HA ALA A 85 15.789 16.287 -4.580 1.00 0.00 H new ATOM 0 HB1 ALA A 85 17.867 15.966 -3.256 1.00 0.00 H new ATOM 0 HB2 ALA A 85 16.416 15.632 -2.281 1.00 0.00 H new ATOM 0 HB3 ALA A 85 17.387 14.285 -2.922 1.00 0.00 H new ATOM 1425 N LYS A 86 17.084 13.543 -5.816 1.00 0.00 N ATOM 1426 CA LYS A 86 17.869 13.013 -6.924 1.00 0.00 C ATOM 1427 C LYS A 86 17.477 13.699 -8.230 1.00 0.00 C ATOM 1428 O LYS A 86 18.153 14.624 -8.683 1.00 0.00 O ATOM 1429 CB LYS A 86 17.650 11.502 -7.046 1.00 0.00 C ATOM 1430 CG LYS A 86 18.710 10.895 -7.978 1.00 0.00 C ATOM 1431 CD LYS A 86 19.916 10.415 -7.160 1.00 0.00 C ATOM 1432 CE LYS A 86 19.655 8.999 -6.637 1.00 0.00 C ATOM 1433 NZ LYS A 86 20.684 8.647 -5.619 1.00 0.00 N ATOM 0 H LYS A 86 16.603 12.837 -5.259 1.00 0.00 H new ATOM 0 HA LYS A 86 18.923 13.208 -6.727 1.00 0.00 H new ATOM 0 HB2 LYS A 86 17.708 11.036 -6.062 1.00 0.00 H new ATOM 0 HB3 LYS A 86 16.652 11.300 -7.435 1.00 0.00 H new ATOM 0 HG2 LYS A 86 18.282 10.061 -8.534 1.00 0.00 H new ATOM 0 HG3 LYS A 86 19.029 11.636 -8.711 1.00 0.00 H new ATOM 0 HD2 LYS A 86 20.814 10.425 -7.778 1.00 0.00 H new ATOM 0 HD3 LYS A 86 20.095 11.094 -6.326 1.00 0.00 H new ATOM 0 HE2 LYS A 86 18.659 8.940 -6.198 1.00 0.00 H new ATOM 0 HE3 LYS A 86 19.683 8.285 -7.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 20.911 7.635 -5.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 21.544 9.207 -5.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 20.316 8.853 -4.668 1.00 0.00 H new