USER MOD reduce.3.24.130724 H: found=0, std=0, add=959, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 957 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 120 SER OG : rot 180:sc= 0.25 USER MOD Set 1.2: A 122 THR OG1 : rot 104:sc= 0.268 USER MOD Set 2.1: A 83 ASN : amide:sc= -3.69! C(o=-2.9!,f=-5.1!) USER MOD Set 2.2: A 103 THR OG1 : rot -34:sc= 0.824 USER MOD Set 3.1: A 59 LYS NZ :NH3+ -171:sc= -0.399 (180deg=0) USER MOD Set 3.2: A 76 ASN : amide:sc= -0.405 K(o=-0.8,f=1.3) USER MOD Set 4.1: A 48 SER OG : rot 82:sc= 0.425 USER MOD Set 4.2: A 50 ASN : amide:sc= 0 X(o=0.42,f=0.31) USER MOD Set 5.1: A 20 MET CE :methyl -115:sc= -0.578 (180deg=-0.584) USER MOD Set 5.2: A 53 LYS NZ :NH3+ -111:sc= -0.486 (180deg=-0.716) USER MOD Single : A 1 GLY N :NH3+ 134:sc= 0.0104 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0.34 K(o=0.34,f=-2.3!) USER MOD Single : A 14 ASN : amide:sc= -1.1 K(o=-1.1,f=0.094) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.259 K(o=-0.26,f=-1.4) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.873! X(o=-0.87!,f=-1.2) USER MOD Single : A 25 GLN : amide:sc= -0.0601 X(o=-0.06,f=-0.18) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.22) USER MOD Single : A 62 GLN : amide:sc=-0.00159 X(o=-0.0016,f=-0.3) USER MOD Single : A 65 SER OG : rot 150:sc= -0.12 USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -2.86! C(o=-2.9!,f=-6.9!) USER MOD Single : A 84 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.18) USER MOD Single : A 85 THR OG1 : rot -5:sc= 0.938 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 ASN : amide:sc= -1.81 K(o=-1.8,f=-6!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HD1:sc= -4.66! C(o=-4.7!,f=-3.5!) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 95 GLN : amide:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : A 101 GLN : amide:sc= -0.031 X(o=-0.031,f=0) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -0.01 X(o=-0.01,f=-0.079) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -135:sc= -0.917 (180deg=-3.18!) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.551 0.084 -18.080 1.00 0.00 N ATOM 2 CA GLY A 1 14.926 -0.973 -18.853 1.00 0.00 C ATOM 3 C GLY A 1 13.460 -0.700 -19.128 1.00 0.00 C ATOM 4 O GLY A 1 12.748 -0.176 -18.272 1.00 0.00 O ATOM 0 H1 GLY A 1 16.118 -0.334 -17.315 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.168 0.648 -18.699 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.816 0.696 -17.672 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.455 -1.088 -19.799 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.022 -1.917 -18.317 1.00 0.00 H new ATOM 8 N SER A 2 13.009 -1.055 -20.327 1.00 0.00 N ATOM 9 CA SER A 2 11.620 -0.841 -20.715 1.00 0.00 C ATOM 10 C SER A 2 10.882 -2.169 -20.850 1.00 0.00 C ATOM 11 O SER A 2 10.936 -2.819 -21.894 1.00 0.00 O ATOM 12 CB SER A 2 11.550 -0.069 -22.035 1.00 0.00 C ATOM 13 OG SER A 2 12.140 1.213 -21.908 1.00 0.00 O ATOM 0 H SER A 2 13.585 -1.492 -21.046 1.00 0.00 H new ATOM 0 HA SER A 2 11.137 -0.255 -19.933 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.060 -0.632 -22.817 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.510 0.035 -22.344 1.00 0.00 H new ATOM 0 HG SER A 2 12.084 1.685 -22.765 1.00 0.00 H new ATOM 19 N SER A 3 10.193 -2.567 -19.786 1.00 0.00 N ATOM 20 CA SER A 3 9.446 -3.819 -19.782 1.00 0.00 C ATOM 21 C SER A 3 8.172 -3.694 -20.611 1.00 0.00 C ATOM 22 O SER A 3 7.093 -3.439 -20.078 1.00 0.00 O ATOM 23 CB SER A 3 9.098 -4.226 -18.349 1.00 0.00 C ATOM 24 OG SER A 3 8.492 -5.507 -18.315 1.00 0.00 O ATOM 0 H SER A 3 10.136 -2.040 -18.915 1.00 0.00 H new ATOM 0 HA SER A 3 10.075 -4.590 -20.228 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.002 -4.232 -17.740 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.424 -3.490 -17.912 1.00 0.00 H new ATOM 0 HG SER A 3 8.281 -5.744 -17.388 1.00 0.00 H new ATOM 30 N GLY A 4 8.305 -3.877 -21.922 1.00 0.00 N ATOM 31 CA GLY A 4 7.157 -3.781 -22.805 1.00 0.00 C ATOM 32 C GLY A 4 6.654 -5.140 -23.250 1.00 0.00 C ATOM 33 O GLY A 4 7.062 -5.649 -24.294 1.00 0.00 O ATOM 0 H GLY A 4 9.187 -4.090 -22.388 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.354 -3.249 -22.296 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.425 -3.191 -23.682 1.00 0.00 H new ATOM 37 N SER A 5 5.765 -5.729 -22.457 1.00 0.00 N ATOM 38 CA SER A 5 5.209 -7.040 -22.773 1.00 0.00 C ATOM 39 C SER A 5 3.919 -7.284 -21.995 1.00 0.00 C ATOM 40 O SER A 5 3.859 -7.062 -20.786 1.00 0.00 O ATOM 41 CB SER A 5 6.226 -8.138 -22.455 1.00 0.00 C ATOM 42 OG SER A 5 5.853 -9.367 -23.056 1.00 0.00 O ATOM 0 H SER A 5 5.414 -5.320 -21.591 1.00 0.00 H new ATOM 0 HA SER A 5 4.980 -7.064 -23.838 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.212 -7.839 -22.811 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.303 -8.266 -21.375 1.00 0.00 H new ATOM 0 HG SER A 5 6.519 -10.052 -22.840 1.00 0.00 H new ATOM 48 N SER A 6 2.890 -7.744 -22.699 1.00 0.00 N ATOM 49 CA SER A 6 1.599 -8.016 -22.077 1.00 0.00 C ATOM 50 C SER A 6 1.781 -8.537 -20.654 1.00 0.00 C ATOM 51 O SER A 6 1.150 -8.049 -19.718 1.00 0.00 O ATOM 52 CB SER A 6 0.813 -9.032 -22.908 1.00 0.00 C ATOM 53 OG SER A 6 0.394 -8.469 -24.139 1.00 0.00 O ATOM 0 H SER A 6 2.925 -7.936 -23.700 1.00 0.00 H new ATOM 0 HA SER A 6 1.039 -7.082 -22.034 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.433 -9.909 -23.098 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.056 -9.372 -22.345 1.00 0.00 H new ATOM 0 HG SER A 6 -0.105 -9.139 -24.652 1.00 0.00 H new ATOM 59 N GLY A 7 2.649 -9.532 -20.501 1.00 0.00 N ATOM 60 CA GLY A 7 2.899 -10.104 -19.191 1.00 0.00 C ATOM 61 C GLY A 7 4.338 -10.548 -19.017 1.00 0.00 C ATOM 62 O GLY A 7 4.979 -10.990 -19.971 1.00 0.00 O ATOM 0 H GLY A 7 3.184 -9.952 -21.261 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.654 -9.369 -18.424 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.238 -10.957 -19.038 1.00 0.00 H new ATOM 66 N LEU A 8 4.848 -10.429 -17.796 1.00 0.00 N ATOM 67 CA LEU A 8 6.222 -10.820 -17.500 1.00 0.00 C ATOM 68 C LEU A 8 6.409 -12.324 -17.670 1.00 0.00 C ATOM 69 O LEU A 8 5.459 -13.048 -17.965 1.00 0.00 O ATOM 70 CB LEU A 8 6.595 -10.406 -16.076 1.00 0.00 C ATOM 71 CG LEU A 8 6.732 -8.903 -15.827 1.00 0.00 C ATOM 72 CD1 LEU A 8 5.418 -8.193 -16.115 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.182 -8.637 -14.398 1.00 0.00 C ATOM 0 H LEU A 8 4.331 -10.065 -16.995 1.00 0.00 H new ATOM 0 HA LEU A 8 6.879 -10.309 -18.204 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.840 -10.799 -15.395 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.539 -10.885 -15.816 1.00 0.00 H new ATOM 0 HG LEU A 8 7.490 -8.510 -16.504 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.534 -7.125 -15.932 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.137 -8.355 -17.156 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.640 -8.590 -15.463 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.274 -7.563 -14.240 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.448 -9.045 -13.703 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.147 -9.113 -14.226 1.00 0.00 H new ATOM 85 N GLY A 9 7.640 -12.788 -17.479 1.00 0.00 N ATOM 86 CA GLY A 9 7.929 -14.204 -17.613 1.00 0.00 C ATOM 87 C GLY A 9 7.156 -15.050 -16.621 1.00 0.00 C ATOM 88 O GLY A 9 5.944 -15.217 -16.749 1.00 0.00 O ATOM 0 H GLY A 9 8.443 -12.208 -17.234 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.688 -14.526 -18.626 1.00 0.00 H new ATOM 0 HA3 GLY A 9 8.997 -14.369 -17.471 1.00 0.00 H new ATOM 92 N ASN A 10 7.859 -15.586 -15.628 1.00 0.00 N ATOM 93 CA ASN A 10 7.231 -16.421 -14.611 1.00 0.00 C ATOM 94 C ASN A 10 6.218 -15.620 -13.799 1.00 0.00 C ATOM 95 O ASN A 10 5.012 -15.841 -13.901 1.00 0.00 O ATOM 96 CB ASN A 10 8.293 -17.013 -13.682 1.00 0.00 C ATOM 97 CG ASN A 10 9.496 -17.540 -14.440 1.00 0.00 C ATOM 98 OD1 ASN A 10 10.301 -16.769 -14.962 1.00 0.00 O ATOM 99 ND2 ASN A 10 9.623 -18.860 -14.504 1.00 0.00 N ATOM 0 H ASN A 10 8.863 -15.457 -15.506 1.00 0.00 H new ATOM 0 HA ASN A 10 6.705 -17.232 -15.115 1.00 0.00 H new ATOM 0 HB2 ASN A 10 8.618 -16.250 -12.974 1.00 0.00 H new ATOM 0 HB3 ASN A 10 7.852 -17.821 -13.099 1.00 0.00 H new ATOM 0 HD21 ASN A 10 10.412 -19.273 -15.001 1.00 0.00 H new ATOM 0 HD22 ASN A 10 8.931 -19.461 -14.056 1.00 0.00 H new ATOM 106 N GLU A 11 6.718 -14.689 -12.992 1.00 0.00 N ATOM 107 CA GLU A 11 5.856 -13.855 -12.163 1.00 0.00 C ATOM 108 C GLU A 11 5.512 -12.550 -12.875 1.00 0.00 C ATOM 109 O GLU A 11 6.370 -11.927 -13.501 1.00 0.00 O ATOM 110 CB GLU A 11 6.534 -13.555 -10.824 1.00 0.00 C ATOM 111 CG GLU A 11 7.669 -12.550 -10.929 1.00 0.00 C ATOM 112 CD GLU A 11 8.903 -13.130 -11.592 1.00 0.00 C ATOM 113 OE1 GLU A 11 9.550 -14.005 -10.979 1.00 0.00 O ATOM 114 OE2 GLU A 11 9.222 -12.709 -12.723 1.00 0.00 O ATOM 0 H GLU A 11 7.714 -14.494 -12.895 1.00 0.00 H new ATOM 0 HA GLU A 11 4.932 -14.403 -11.980 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.788 -13.176 -10.125 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.920 -14.484 -10.405 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.330 -11.683 -11.496 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.929 -12.196 -9.931 1.00 0.00 H new ATOM 121 N ASP A 12 4.251 -12.143 -12.775 1.00 0.00 N ATOM 122 CA ASP A 12 3.792 -10.913 -13.409 1.00 0.00 C ATOM 123 C ASP A 12 3.146 -9.983 -12.386 1.00 0.00 C ATOM 124 O ASP A 12 2.634 -10.432 -11.361 1.00 0.00 O ATOM 125 CB ASP A 12 2.799 -11.230 -14.528 1.00 0.00 C ATOM 126 CG ASP A 12 1.838 -12.341 -14.152 1.00 0.00 C ATOM 127 OD1 ASP A 12 2.293 -13.494 -14.007 1.00 0.00 O ATOM 128 OD2 ASP A 12 0.631 -12.056 -14.003 1.00 0.00 O ATOM 0 H ASP A 12 3.529 -12.647 -12.261 1.00 0.00 H new ATOM 0 HA ASP A 12 4.659 -10.408 -13.836 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.233 -10.331 -14.773 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.347 -11.516 -15.426 1.00 0.00 H new ATOM 133 N PHE A 13 3.174 -8.686 -12.673 1.00 0.00 N ATOM 134 CA PHE A 13 2.592 -7.693 -11.777 1.00 0.00 C ATOM 135 C PHE A 13 1.301 -8.213 -11.153 1.00 0.00 C ATOM 136 O PHE A 13 1.144 -8.209 -9.933 1.00 0.00 O ATOM 137 CB PHE A 13 2.318 -6.392 -12.534 1.00 0.00 C ATOM 138 CG PHE A 13 1.779 -5.293 -11.662 1.00 0.00 C ATOM 139 CD1 PHE A 13 2.302 -5.075 -10.398 1.00 0.00 C ATOM 140 CD2 PHE A 13 0.749 -4.481 -12.107 1.00 0.00 C ATOM 141 CE1 PHE A 13 1.808 -4.065 -9.593 1.00 0.00 C ATOM 142 CE2 PHE A 13 0.251 -3.469 -11.307 1.00 0.00 C ATOM 143 CZ PHE A 13 0.781 -3.262 -10.048 1.00 0.00 C ATOM 0 H PHE A 13 3.593 -8.298 -13.518 1.00 0.00 H new ATOM 0 HA PHE A 13 3.307 -7.497 -10.978 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.241 -6.053 -13.003 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.607 -6.590 -13.336 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.105 -5.701 -10.037 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.330 -4.640 -13.090 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.225 -3.904 -8.610 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.551 -2.841 -11.666 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.393 -2.473 -9.421 1.00 0.00 H new ATOM 153 N ASN A 14 0.379 -8.660 -12.000 1.00 0.00 N ATOM 154 CA ASN A 14 -0.899 -9.183 -11.532 1.00 0.00 C ATOM 155 C ASN A 14 -0.692 -10.374 -10.601 1.00 0.00 C ATOM 156 O ASN A 14 -1.454 -10.576 -9.656 1.00 0.00 O ATOM 157 CB ASN A 14 -1.771 -9.595 -12.720 1.00 0.00 C ATOM 158 CG ASN A 14 -1.958 -8.468 -13.717 1.00 0.00 C ATOM 159 OD1 ASN A 14 -2.960 -7.753 -13.682 1.00 0.00 O ATOM 160 ND2 ASN A 14 -0.993 -8.306 -14.615 1.00 0.00 N ATOM 0 H ASN A 14 0.493 -8.670 -13.014 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.404 -8.394 -10.976 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.317 -10.449 -13.222 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.746 -9.921 -12.356 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.065 -7.566 -15.313 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.180 -8.922 -14.607 1.00 0.00 H new ATOM 167 N SER A 15 0.345 -11.159 -10.876 1.00 0.00 N ATOM 168 CA SER A 15 0.651 -12.332 -10.065 1.00 0.00 C ATOM 169 C SER A 15 1.237 -11.924 -8.717 1.00 0.00 C ATOM 170 O SER A 15 0.707 -12.277 -7.664 1.00 0.00 O ATOM 171 CB SER A 15 1.630 -13.247 -10.804 1.00 0.00 C ATOM 172 OG SER A 15 1.505 -14.588 -10.364 1.00 0.00 O ATOM 0 H SER A 15 0.987 -11.004 -11.653 1.00 0.00 H new ATOM 0 HA SER A 15 -0.279 -12.873 -9.888 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.443 -13.194 -11.877 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.651 -12.901 -10.640 1.00 0.00 H new ATOM 0 HG SER A 15 2.140 -15.153 -10.852 1.00 0.00 H new ATOM 178 N VAL A 16 2.336 -11.176 -8.759 1.00 0.00 N ATOM 179 CA VAL A 16 2.995 -10.717 -7.542 1.00 0.00 C ATOM 180 C VAL A 16 1.994 -10.093 -6.577 1.00 0.00 C ATOM 181 O VAL A 16 2.005 -10.386 -5.381 1.00 0.00 O ATOM 182 CB VAL A 16 4.099 -9.690 -7.856 1.00 0.00 C ATOM 183 CG1 VAL A 16 3.567 -8.596 -8.769 1.00 0.00 C ATOM 184 CG2 VAL A 16 4.656 -9.098 -6.570 1.00 0.00 C ATOM 0 H VAL A 16 2.788 -10.875 -9.623 1.00 0.00 H new ATOM 0 HA VAL A 16 3.446 -11.593 -7.076 1.00 0.00 H new ATOM 0 HB VAL A 16 4.910 -10.201 -8.376 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.361 -7.880 -8.980 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.220 -9.038 -9.703 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.738 -8.085 -8.280 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.435 -8.374 -6.810 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.856 -8.601 -6.022 1.00 0.00 H new ATOM 0 HG23 VAL A 16 5.077 -9.894 -5.956 1.00 0.00 H new ATOM 194 N ILE A 17 1.130 -9.232 -7.104 1.00 0.00 N ATOM 195 CA ILE A 17 0.121 -8.567 -6.289 1.00 0.00 C ATOM 196 C ILE A 17 -0.878 -9.571 -5.724 1.00 0.00 C ATOM 197 O ILE A 17 -1.168 -9.567 -4.528 1.00 0.00 O ATOM 198 CB ILE A 17 -0.641 -7.500 -7.096 1.00 0.00 C ATOM 199 CG1 ILE A 17 0.315 -6.396 -7.554 1.00 0.00 C ATOM 200 CG2 ILE A 17 -1.773 -6.916 -6.264 1.00 0.00 C ATOM 201 CD1 ILE A 17 1.062 -5.734 -6.417 1.00 0.00 C ATOM 0 H ILE A 17 1.109 -8.979 -8.092 1.00 0.00 H new ATOM 0 HA ILE A 17 0.648 -8.081 -5.468 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.071 -7.972 -7.980 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.036 -6.818 -8.255 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.251 -5.638 -8.096 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.303 -6.163 -6.848 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.465 -7.710 -5.983 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.364 -6.456 -5.365 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.721 -4.962 -6.815 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.349 -5.282 -5.727 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.655 -6.480 -5.888 1.00 0.00 H new ATOM 213 N GLN A 18 -1.400 -10.431 -6.593 1.00 0.00 N ATOM 214 CA GLN A 18 -2.366 -11.442 -6.181 1.00 0.00 C ATOM 215 C GLN A 18 -1.753 -12.397 -5.162 1.00 0.00 C ATOM 216 O GLN A 18 -2.462 -12.985 -4.345 1.00 0.00 O ATOM 217 CB GLN A 18 -2.866 -12.226 -7.395 1.00 0.00 C ATOM 218 CG GLN A 18 -3.912 -11.482 -8.211 1.00 0.00 C ATOM 219 CD GLN A 18 -5.169 -11.185 -7.417 1.00 0.00 C ATOM 220 OE1 GLN A 18 -5.426 -11.806 -6.385 1.00 0.00 O ATOM 221 NE2 GLN A 18 -5.960 -10.232 -7.895 1.00 0.00 N ATOM 0 H GLN A 18 -1.170 -10.448 -7.587 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.209 -10.933 -5.714 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.018 -12.465 -8.037 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.287 -13.173 -7.057 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.486 -10.546 -8.574 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.172 -12.075 -9.088 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.708 -9.743 -8.754 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.820 -9.989 -7.403 1.00 0.00 H new ATOM 230 N GLN A 19 -0.434 -12.546 -5.217 1.00 0.00 N ATOM 231 CA GLN A 19 0.274 -13.431 -4.298 1.00 0.00 C ATOM 232 C GLN A 19 0.487 -12.755 -2.948 1.00 0.00 C ATOM 233 O GLN A 19 0.402 -13.398 -1.901 1.00 0.00 O ATOM 234 CB GLN A 19 1.620 -13.846 -4.893 1.00 0.00 C ATOM 235 CG GLN A 19 1.501 -14.860 -6.019 1.00 0.00 C ATOM 236 CD GLN A 19 2.749 -15.707 -6.176 1.00 0.00 C ATOM 237 OE1 GLN A 19 3.005 -16.609 -5.378 1.00 0.00 O ATOM 238 NE2 GLN A 19 3.532 -15.422 -7.210 1.00 0.00 N ATOM 0 H GLN A 19 0.166 -12.066 -5.887 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.337 -14.321 -4.145 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.132 -12.959 -5.267 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.244 -14.264 -4.103 1.00 0.00 H new ATOM 0 HG2 GLN A 19 0.647 -15.510 -5.829 1.00 0.00 H new ATOM 0 HG3 GLN A 19 1.301 -14.337 -6.954 1.00 0.00 H new ATOM 0 HE21 GLN A 19 3.281 -14.666 -7.847 1.00 0.00 H new ATOM 0 HE22 GLN A 19 4.384 -15.960 -7.368 1.00 0.00 H new ATOM 247 N MET A 20 0.766 -11.456 -2.979 1.00 0.00 N ATOM 248 CA MET A 20 0.991 -10.694 -1.756 1.00 0.00 C ATOM 249 C MET A 20 -0.327 -10.408 -1.043 1.00 0.00 C ATOM 250 O MET A 20 -0.381 -10.364 0.186 1.00 0.00 O ATOM 251 CB MET A 20 1.708 -9.380 -2.073 1.00 0.00 C ATOM 252 CG MET A 20 3.034 -9.570 -2.792 1.00 0.00 C ATOM 253 SD MET A 20 3.456 -8.173 -3.852 1.00 0.00 S ATOM 254 CE MET A 20 3.905 -6.944 -2.629 1.00 0.00 C ATOM 0 H MET A 20 0.842 -10.909 -3.837 1.00 0.00 H new ATOM 0 HA MET A 20 1.619 -11.292 -1.095 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.056 -8.759 -2.688 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.882 -8.837 -1.144 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.825 -9.714 -2.056 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.990 -10.478 -3.394 1.00 0.00 H new ATOM 0 HE1 MET A 20 3.195 -6.118 -2.665 1.00 0.00 H new ATOM 0 HE2 MET A 20 3.887 -7.395 -1.637 1.00 0.00 H new ATOM 0 HE3 MET A 20 4.907 -6.570 -2.840 1.00 0.00 H new ATOM 264 N ALA A 21 -1.386 -10.215 -1.822 1.00 0.00 N ATOM 265 CA ALA A 21 -2.703 -9.935 -1.265 1.00 0.00 C ATOM 266 C ALA A 21 -3.302 -11.180 -0.618 1.00 0.00 C ATOM 267 O ALA A 21 -4.017 -11.089 0.379 1.00 0.00 O ATOM 268 CB ALA A 21 -3.631 -9.402 -2.346 1.00 0.00 C ATOM 0 H ALA A 21 -1.357 -10.247 -2.841 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.589 -9.175 -0.492 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.611 -9.197 -1.916 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.217 -8.482 -2.760 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.731 -10.144 -3.138 1.00 0.00 H new ATOM 274 N GLN A 22 -3.005 -12.341 -1.193 1.00 0.00 N ATOM 275 CA GLN A 22 -3.515 -13.603 -0.673 1.00 0.00 C ATOM 276 C GLN A 22 -5.040 -13.599 -0.634 1.00 0.00 C ATOM 277 O GLN A 22 -5.646 -13.939 0.381 1.00 0.00 O ATOM 278 CB GLN A 22 -2.958 -13.865 0.727 1.00 0.00 C ATOM 279 CG GLN A 22 -1.443 -13.767 0.807 1.00 0.00 C ATOM 280 CD GLN A 22 -0.757 -15.085 0.503 1.00 0.00 C ATOM 281 OE1 GLN A 22 -0.415 -15.843 1.411 1.00 0.00 O ATOM 282 NE2 GLN A 22 -0.552 -15.364 -0.779 1.00 0.00 N ATOM 0 H GLN A 22 -2.414 -12.433 -2.019 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.189 -14.400 -1.341 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.397 -13.151 1.423 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.267 -14.858 1.052 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -1.094 -13.010 0.105 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.156 -13.434 1.804 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.852 -14.706 -1.498 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.094 -16.236 -1.044 1.00 0.00 H new ATOM 291 N GLY A 23 -5.654 -13.212 -1.747 1.00 0.00 N ATOM 292 CA GLY A 23 -7.103 -13.170 -1.819 1.00 0.00 C ATOM 293 C GLY A 23 -7.672 -11.866 -1.297 1.00 0.00 C ATOM 294 O GLY A 23 -8.716 -11.406 -1.762 1.00 0.00 O ATOM 0 H GLY A 23 -5.174 -12.927 -2.601 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.416 -13.311 -2.853 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.516 -13.999 -1.245 1.00 0.00 H new ATOM 298 N ARG A 24 -6.987 -11.269 -0.328 1.00 0.00 N ATOM 299 CA ARG A 24 -7.432 -10.011 0.260 1.00 0.00 C ATOM 300 C ARG A 24 -7.922 -9.050 -0.820 1.00 0.00 C ATOM 301 O ARG A 24 -7.294 -8.908 -1.869 1.00 0.00 O ATOM 302 CB ARG A 24 -6.297 -9.365 1.055 1.00 0.00 C ATOM 303 CG ARG A 24 -5.938 -10.117 2.326 1.00 0.00 C ATOM 304 CD ARG A 24 -4.851 -9.401 3.111 1.00 0.00 C ATOM 305 NE ARG A 24 -3.513 -9.790 2.673 1.00 0.00 N ATOM 306 CZ ARG A 24 -2.429 -9.048 2.871 1.00 0.00 C ATOM 307 NH1 ARG A 24 -2.525 -7.884 3.497 1.00 0.00 N ATOM 308 NH2 ARG A 24 -1.247 -9.471 2.443 1.00 0.00 N ATOM 0 H ARG A 24 -6.121 -11.636 0.067 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.261 -10.227 0.934 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.413 -9.298 0.421 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.581 -8.345 1.314 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.826 -10.225 2.949 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.602 -11.122 2.072 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.971 -8.324 2.996 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.964 -9.623 4.172 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.405 -10.681 2.188 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.432 -7.556 3.828 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.691 -7.316 3.648 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.170 -10.367 1.961 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.415 -8.901 2.596 1.00 0.00 H new ATOM 322 N GLN A 25 -9.047 -8.393 -0.554 1.00 0.00 N ATOM 323 CA GLN A 25 -9.621 -7.447 -1.504 1.00 0.00 C ATOM 324 C GLN A 25 -8.673 -6.278 -1.748 1.00 0.00 C ATOM 325 O GLN A 25 -8.362 -5.517 -0.831 1.00 0.00 O ATOM 326 CB GLN A 25 -10.966 -6.930 -0.991 1.00 0.00 C ATOM 327 CG GLN A 25 -11.513 -5.760 -1.792 1.00 0.00 C ATOM 328 CD GLN A 25 -12.772 -5.174 -1.183 1.00 0.00 C ATOM 329 OE1 GLN A 25 -13.626 -5.901 -0.675 1.00 0.00 O ATOM 330 NE2 GLN A 25 -12.893 -3.852 -1.231 1.00 0.00 N ATOM 0 H GLN A 25 -9.578 -8.498 0.310 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.776 -7.968 -2.449 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.691 -7.744 -1.012 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.856 -6.627 0.050 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.751 -4.983 -1.860 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.725 -6.089 -2.809 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.160 -3.288 -1.662 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.719 -3.401 -0.837 1.00 0.00 H new ATOM 339 N ILE A 26 -8.216 -6.142 -2.988 1.00 0.00 N ATOM 340 CA ILE A 26 -7.304 -5.065 -3.352 1.00 0.00 C ATOM 341 C ILE A 26 -8.069 -3.813 -3.768 1.00 0.00 C ATOM 342 O ILE A 26 -9.120 -3.899 -4.402 1.00 0.00 O ATOM 343 CB ILE A 26 -6.366 -5.484 -4.499 1.00 0.00 C ATOM 344 CG1 ILE A 26 -5.612 -6.763 -4.128 1.00 0.00 C ATOM 345 CG2 ILE A 26 -5.391 -4.363 -4.823 1.00 0.00 C ATOM 346 CD1 ILE A 26 -4.967 -7.449 -5.312 1.00 0.00 C ATOM 0 H ILE A 26 -8.462 -6.764 -3.758 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.707 -4.846 -2.467 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.967 -5.683 -5.386 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.843 -6.522 -3.395 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.303 -7.456 -3.649 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.735 -4.675 -5.636 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.945 -3.474 -5.125 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.793 -4.135 -3.941 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.450 -8.348 -4.975 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.734 -7.722 -6.037 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.251 -6.773 -5.779 1.00 0.00 H new ATOM 358 N GLU A 27 -7.533 -2.651 -3.408 1.00 0.00 N ATOM 359 CA GLU A 27 -8.166 -1.381 -3.746 1.00 0.00 C ATOM 360 C GLU A 27 -7.134 -0.376 -4.249 1.00 0.00 C ATOM 361 O GLU A 27 -6.078 -0.198 -3.643 1.00 0.00 O ATOM 362 CB GLU A 27 -8.898 -0.812 -2.529 1.00 0.00 C ATOM 363 CG GLU A 27 -10.286 -1.395 -2.325 1.00 0.00 C ATOM 364 CD GLU A 27 -11.123 -1.363 -3.590 1.00 0.00 C ATOM 365 OE1 GLU A 27 -10.983 -0.398 -4.370 1.00 0.00 O ATOM 366 OE2 GLU A 27 -11.918 -2.303 -3.798 1.00 0.00 O ATOM 0 H GLU A 27 -6.663 -2.563 -2.883 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.887 -1.564 -4.542 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.300 -0.998 -1.637 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.980 0.269 -2.638 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.196 -2.425 -1.979 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.798 -0.838 -1.540 1.00 0.00 H new ATOM 373 N TYR A 28 -7.448 0.277 -5.363 1.00 0.00 N ATOM 374 CA TYR A 28 -6.548 1.262 -5.950 1.00 0.00 C ATOM 375 C TYR A 28 -6.769 2.639 -5.332 1.00 0.00 C ATOM 376 O TYR A 28 -7.730 3.334 -5.664 1.00 0.00 O ATOM 377 CB TYR A 28 -6.753 1.332 -7.464 1.00 0.00 C ATOM 378 CG TYR A 28 -7.023 -0.012 -8.101 1.00 0.00 C ATOM 379 CD1 TYR A 28 -6.012 -0.956 -8.234 1.00 0.00 C ATOM 380 CD2 TYR A 28 -8.289 -0.339 -8.571 1.00 0.00 C ATOM 381 CE1 TYR A 28 -6.253 -2.185 -8.816 1.00 0.00 C ATOM 382 CE2 TYR A 28 -8.540 -1.566 -9.153 1.00 0.00 C ATOM 383 CZ TYR A 28 -7.519 -2.486 -9.274 1.00 0.00 C ATOM 384 OH TYR A 28 -7.765 -3.709 -9.854 1.00 0.00 O ATOM 0 H TYR A 28 -8.319 0.142 -5.877 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.524 0.951 -5.742 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.587 2.001 -7.679 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.867 1.770 -7.922 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -5.020 -0.724 -7.876 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -9.091 0.379 -8.480 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.455 -2.906 -8.912 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -9.530 -1.804 -9.512 1.00 0.00 H new ATOM 0 HH TYR A 28 -8.707 -3.761 -10.121 1.00 0.00 H new ATOM 394 N ILE A 29 -5.873 3.027 -4.431 1.00 0.00 N ATOM 395 CA ILE A 29 -5.968 4.321 -3.767 1.00 0.00 C ATOM 396 C ILE A 29 -5.237 5.400 -4.559 1.00 0.00 C ATOM 397 O ILE A 29 -4.009 5.480 -4.532 1.00 0.00 O ATOM 398 CB ILE A 29 -5.389 4.266 -2.341 1.00 0.00 C ATOM 399 CG1 ILE A 29 -6.073 3.162 -1.532 1.00 0.00 C ATOM 400 CG2 ILE A 29 -5.550 5.613 -1.652 1.00 0.00 C ATOM 401 CD1 ILE A 29 -7.539 3.427 -1.267 1.00 0.00 C ATOM 0 H ILE A 29 -5.073 2.463 -4.144 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.028 4.570 -3.711 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.325 4.038 -2.405 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.974 2.217 -2.066 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.555 3.046 -0.580 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.136 5.558 -0.645 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.021 6.378 -2.221 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.608 5.869 -1.596 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.959 2.604 -0.689 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.645 4.355 -0.706 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -8.070 3.513 -2.215 1.00 0.00 H new ATOM 413 N ASP A 30 -6.001 6.230 -5.262 1.00 0.00 N ATOM 414 CA ASP A 30 -5.426 7.307 -6.059 1.00 0.00 C ATOM 415 C ASP A 30 -5.223 8.560 -5.214 1.00 0.00 C ATOM 416 O ASP A 30 -6.176 9.279 -4.912 1.00 0.00 O ATOM 417 CB ASP A 30 -6.329 7.623 -7.253 1.00 0.00 C ATOM 418 CG ASP A 30 -6.159 6.630 -8.386 1.00 0.00 C ATOM 419 OD1 ASP A 30 -6.063 5.418 -8.102 1.00 0.00 O ATOM 420 OD2 ASP A 30 -6.122 7.065 -9.556 1.00 0.00 O ATOM 0 H ASP A 30 -7.019 6.177 -5.296 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.454 6.976 -6.425 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.369 7.624 -6.928 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.108 8.626 -7.617 1.00 0.00 H new ATOM 425 N ILE A 31 -3.976 8.815 -4.833 1.00 0.00 N ATOM 426 CA ILE A 31 -3.648 9.981 -4.023 1.00 0.00 C ATOM 427 C ILE A 31 -3.103 11.115 -4.885 1.00 0.00 C ATOM 428 O ILE A 31 -2.206 10.910 -5.702 1.00 0.00 O ATOM 429 CB ILE A 31 -2.615 9.638 -2.934 1.00 0.00 C ATOM 430 CG1 ILE A 31 -3.243 8.735 -1.870 1.00 0.00 C ATOM 431 CG2 ILE A 31 -2.068 10.909 -2.301 1.00 0.00 C ATOM 432 CD1 ILE A 31 -2.230 8.083 -0.956 1.00 0.00 C ATOM 0 H ILE A 31 -3.176 8.229 -5.073 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.574 10.303 -3.546 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.787 9.101 -3.397 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.937 9.323 -1.269 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.828 7.959 -2.363 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.339 10.649 -1.533 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.587 11.519 -3.066 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.885 11.471 -1.849 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.746 7.458 -0.228 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.551 7.467 -1.546 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.661 8.853 -0.435 1.00 0.00 H new ATOM 444 N GLU A 32 -3.651 12.311 -4.695 1.00 0.00 N ATOM 445 CA GLU A 32 -3.218 13.478 -5.456 1.00 0.00 C ATOM 446 C GLU A 32 -2.111 14.228 -4.720 1.00 0.00 C ATOM 447 O GLU A 32 -2.368 14.936 -3.746 1.00 0.00 O ATOM 448 CB GLU A 32 -4.400 14.415 -5.711 1.00 0.00 C ATOM 449 CG GLU A 32 -3.987 15.828 -6.088 1.00 0.00 C ATOM 450 CD GLU A 32 -3.235 15.885 -7.403 1.00 0.00 C ATOM 451 OE1 GLU A 32 -3.784 15.417 -8.422 1.00 0.00 O ATOM 452 OE2 GLU A 32 -2.097 16.398 -7.413 1.00 0.00 O ATOM 0 H GLU A 32 -4.394 12.498 -4.022 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.825 13.131 -6.412 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.016 14.000 -6.509 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.022 14.454 -4.816 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.875 16.457 -6.154 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.361 16.243 -5.298 1.00 0.00 H new ATOM 459 N ARG A 33 -0.880 14.065 -5.192 1.00 0.00 N ATOM 460 CA ARG A 33 0.267 14.725 -4.578 1.00 0.00 C ATOM 461 C ARG A 33 0.088 16.240 -4.579 1.00 0.00 C ATOM 462 O ARG A 33 0.121 16.893 -5.622 1.00 0.00 O ATOM 463 CB ARG A 33 1.553 14.352 -5.318 1.00 0.00 C ATOM 464 CG ARG A 33 2.246 13.123 -4.754 1.00 0.00 C ATOM 465 CD ARG A 33 3.251 13.497 -3.675 1.00 0.00 C ATOM 466 NE ARG A 33 4.237 14.461 -4.155 1.00 0.00 N ATOM 467 CZ ARG A 33 5.032 15.160 -3.353 1.00 0.00 C ATOM 468 NH1 ARG A 33 4.958 15.002 -2.039 1.00 0.00 N ATOM 469 NH2 ARG A 33 5.904 16.019 -3.865 1.00 0.00 N ATOM 0 H ARG A 33 -0.651 13.482 -5.997 1.00 0.00 H new ATOM 0 HA ARG A 33 0.339 14.386 -3.545 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.320 14.177 -6.368 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.242 15.196 -5.280 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.502 12.442 -4.340 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.754 12.590 -5.557 1.00 0.00 H new ATOM 0 HD2 ARG A 33 2.723 13.915 -2.818 1.00 0.00 H new ATOM 0 HD3 ARG A 33 3.762 12.599 -3.328 1.00 0.00 H new ATOM 0 HE ARG A 33 4.320 14.605 -5.161 1.00 0.00 H new ATOM 0 HH11 ARG A 33 4.289 14.342 -1.642 1.00 0.00 H new ATOM 0 HH12 ARG A 33 5.570 15.540 -1.425 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.964 16.143 -4.876 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.514 16.555 -3.248 1.00 0.00 H new ATOM 483 N PRO A 34 -0.108 16.814 -3.383 1.00 0.00 N ATOM 484 CA PRO A 34 -0.297 18.258 -3.219 1.00 0.00 C ATOM 485 C PRO A 34 0.980 19.045 -3.496 1.00 0.00 C ATOM 486 O PRO A 34 1.928 18.521 -4.081 1.00 0.00 O ATOM 487 CB PRO A 34 -0.703 18.399 -1.750 1.00 0.00 C ATOM 488 CG PRO A 34 -0.120 17.203 -1.080 1.00 0.00 C ATOM 489 CD PRO A 34 -0.161 16.097 -2.098 1.00 0.00 C ATOM 0 HA PRO A 34 -1.033 18.654 -3.919 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.316 19.322 -1.319 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.787 18.426 -1.640 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.902 17.397 -0.756 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.691 16.936 -0.191 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.681 15.414 -1.984 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.069 15.501 -2.008 1.00 0.00 H new ATOM 497 N SER A 35 0.997 20.304 -3.073 1.00 0.00 N ATOM 498 CA SER A 35 2.156 21.164 -3.279 1.00 0.00 C ATOM 499 C SER A 35 2.580 21.828 -1.972 1.00 0.00 C ATOM 500 O SER A 35 3.766 22.055 -1.732 1.00 0.00 O ATOM 501 CB SER A 35 1.846 22.232 -4.329 1.00 0.00 C ATOM 502 OG SER A 35 0.939 23.197 -3.823 1.00 0.00 O ATOM 0 H SER A 35 0.221 20.752 -2.585 1.00 0.00 H new ATOM 0 HA SER A 35 2.978 20.543 -3.635 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.769 22.723 -4.637 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.424 21.762 -5.217 1.00 0.00 H new ATOM 0 HG SER A 35 0.758 23.869 -4.513 1.00 0.00 H new ATOM 508 N THR A 36 1.600 22.138 -1.128 1.00 0.00 N ATOM 509 CA THR A 36 1.869 22.776 0.154 1.00 0.00 C ATOM 510 C THR A 36 2.161 21.741 1.233 1.00 0.00 C ATOM 511 O THR A 36 2.013 22.012 2.424 1.00 0.00 O ATOM 512 CB THR A 36 0.684 23.651 0.605 1.00 0.00 C ATOM 513 OG1 THR A 36 -0.504 22.857 0.698 1.00 0.00 O ATOM 514 CG2 THR A 36 0.457 24.799 -0.368 1.00 0.00 C ATOM 0 H THR A 36 0.613 21.957 -1.310 1.00 0.00 H new ATOM 0 HA THR A 36 2.746 23.408 0.015 1.00 0.00 H new ATOM 0 HB THR A 36 0.921 24.067 1.584 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.252 23.420 0.987 1.00 0.00 H new ATOM 0 HG21 THR A 36 -0.385 25.403 -0.028 1.00 0.00 H new ATOM 0 HG22 THR A 36 1.352 25.419 -0.415 1.00 0.00 H new ATOM 0 HG23 THR A 36 0.240 24.399 -1.359 1.00 0.00 H new ATOM 522 N GLY A 37 2.578 20.551 0.809 1.00 0.00 N ATOM 523 CA GLY A 37 2.885 19.493 1.753 1.00 0.00 C ATOM 524 C GLY A 37 3.285 18.202 1.067 1.00 0.00 C ATOM 525 O GLY A 37 4.006 18.218 0.070 1.00 0.00 O ATOM 0 H GLY A 37 2.708 20.302 -0.171 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.693 19.818 2.408 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.016 19.311 2.385 1.00 0.00 H new ATOM 529 N GLY A 38 2.816 17.079 1.602 1.00 0.00 N ATOM 530 CA GLY A 38 3.141 15.788 1.022 1.00 0.00 C ATOM 531 C GLY A 38 1.957 14.842 1.012 1.00 0.00 C ATOM 532 O GLY A 38 0.806 15.277 0.957 1.00 0.00 O ATOM 0 H GLY A 38 2.217 17.040 2.427 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.497 15.931 0.002 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.958 15.336 1.584 1.00 0.00 H new ATOM 536 N LEU A 39 2.238 13.545 1.063 1.00 0.00 N ATOM 537 CA LEU A 39 1.187 12.534 1.058 1.00 0.00 C ATOM 538 C LEU A 39 0.235 12.732 2.234 1.00 0.00 C ATOM 539 O LEU A 39 -0.964 12.478 2.125 1.00 0.00 O ATOM 540 CB LEU A 39 1.799 11.133 1.113 1.00 0.00 C ATOM 541 CG LEU A 39 3.176 10.977 0.468 1.00 0.00 C ATOM 542 CD1 LEU A 39 3.565 9.509 0.389 1.00 0.00 C ATOM 543 CD2 LEU A 39 3.193 11.611 -0.915 1.00 0.00 C ATOM 0 H LEU A 39 3.185 13.169 1.108 1.00 0.00 H new ATOM 0 HA LEU A 39 0.620 12.640 0.133 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.873 10.831 2.158 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.112 10.439 0.629 1.00 0.00 H new ATOM 0 HG LEU A 39 3.908 11.492 1.090 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.548 9.417 -0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.595 9.086 1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.831 8.970 -0.210 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.181 11.490 -1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.450 11.125 -1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.960 12.673 -0.831 1.00 0.00 H new ATOM 555 N GLY A 40 0.778 13.188 3.358 1.00 0.00 N ATOM 556 CA GLY A 40 -0.037 13.415 4.537 1.00 0.00 C ATOM 557 C GLY A 40 -0.229 12.156 5.359 1.00 0.00 C ATOM 558 O GLY A 40 -1.119 12.090 6.209 1.00 0.00 O ATOM 0 H GLY A 40 1.768 13.404 3.473 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.430 14.182 5.156 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.011 13.799 4.234 1.00 0.00 H new ATOM 562 N PHE A 41 0.605 11.153 5.107 1.00 0.00 N ATOM 563 CA PHE A 41 0.520 9.888 5.828 1.00 0.00 C ATOM 564 C PHE A 41 1.897 9.243 5.957 1.00 0.00 C ATOM 565 O PHE A 41 2.786 9.483 5.140 1.00 0.00 O ATOM 566 CB PHE A 41 -0.439 8.933 5.115 1.00 0.00 C ATOM 567 CG PHE A 41 0.145 8.309 3.879 1.00 0.00 C ATOM 568 CD1 PHE A 41 1.111 7.321 3.977 1.00 0.00 C ATOM 569 CD2 PHE A 41 -0.273 8.711 2.621 1.00 0.00 C ATOM 570 CE1 PHE A 41 1.650 6.746 2.841 1.00 0.00 C ATOM 571 CE2 PHE A 41 0.262 8.140 1.482 1.00 0.00 C ATOM 572 CZ PHE A 41 1.224 7.155 1.592 1.00 0.00 C ATOM 0 H PHE A 41 1.348 11.191 4.409 1.00 0.00 H new ATOM 0 HA PHE A 41 0.139 10.093 6.828 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.734 8.144 5.806 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.345 9.475 4.845 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.447 6.996 4.951 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.026 9.480 2.529 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.404 5.978 2.930 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.072 8.463 0.507 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.642 6.705 0.704 1.00 0.00 H new ATOM 582 N SER A 42 2.065 8.422 6.989 1.00 0.00 N ATOM 583 CA SER A 42 3.334 7.745 7.228 1.00 0.00 C ATOM 584 C SER A 42 3.215 6.251 6.945 1.00 0.00 C ATOM 585 O SER A 42 2.132 5.750 6.641 1.00 0.00 O ATOM 586 CB SER A 42 3.791 7.967 8.672 1.00 0.00 C ATOM 587 OG SER A 42 4.312 9.273 8.847 1.00 0.00 O ATOM 0 H SER A 42 1.338 8.210 7.673 1.00 0.00 H new ATOM 0 HA SER A 42 4.076 8.168 6.550 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.952 7.813 9.350 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.551 7.231 8.933 1.00 0.00 H new ATOM 0 HG SER A 42 4.595 9.390 9.778 1.00 0.00 H new ATOM 593 N VAL A 43 4.336 5.544 7.047 1.00 0.00 N ATOM 594 CA VAL A 43 4.358 4.107 6.803 1.00 0.00 C ATOM 595 C VAL A 43 5.284 3.397 7.784 1.00 0.00 C ATOM 596 O VAL A 43 6.298 3.950 8.209 1.00 0.00 O ATOM 597 CB VAL A 43 4.810 3.788 5.365 1.00 0.00 C ATOM 598 CG1 VAL A 43 3.732 4.179 4.367 1.00 0.00 C ATOM 599 CG2 VAL A 43 6.121 4.495 5.051 1.00 0.00 C ATOM 0 H VAL A 43 5.241 5.943 7.297 1.00 0.00 H new ATOM 0 HA VAL A 43 3.339 3.747 6.944 1.00 0.00 H new ATOM 0 HB VAL A 43 4.973 2.713 5.283 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.069 3.946 3.357 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.819 3.624 4.582 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.534 5.248 4.446 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.426 4.259 4.032 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.986 5.572 5.149 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.890 4.161 5.747 1.00 0.00 H new ATOM 609 N VAL A 44 4.928 2.167 8.141 1.00 0.00 N ATOM 610 CA VAL A 44 5.728 1.379 9.071 1.00 0.00 C ATOM 611 C VAL A 44 6.269 0.121 8.402 1.00 0.00 C ATOM 612 O VAL A 44 5.542 -0.585 7.705 1.00 0.00 O ATOM 613 CB VAL A 44 4.910 0.976 10.313 1.00 0.00 C ATOM 614 CG1 VAL A 44 4.536 2.205 11.128 1.00 0.00 C ATOM 615 CG2 VAL A 44 3.667 0.200 9.902 1.00 0.00 C ATOM 0 H VAL A 44 4.091 1.695 7.800 1.00 0.00 H new ATOM 0 HA VAL A 44 6.562 2.008 9.383 1.00 0.00 H new ATOM 0 HB VAL A 44 5.525 0.329 10.938 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.959 1.901 12.001 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.442 2.716 11.452 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.939 2.880 10.515 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.101 -0.077 10.791 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.047 0.822 9.256 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.962 -0.701 9.364 1.00 0.00 H new ATOM 625 N ALA A 45 7.551 -0.154 8.621 1.00 0.00 N ATOM 626 CA ALA A 45 8.190 -1.329 8.041 1.00 0.00 C ATOM 627 C ALA A 45 8.088 -2.528 8.979 1.00 0.00 C ATOM 628 O ALA A 45 8.458 -2.445 10.151 1.00 0.00 O ATOM 629 CB ALA A 45 9.646 -1.032 7.717 1.00 0.00 C ATOM 0 H ALA A 45 8.167 0.421 9.196 1.00 0.00 H new ATOM 0 HA ALA A 45 7.668 -1.578 7.117 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.111 -1.918 7.285 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.700 -0.210 7.004 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.173 -0.755 8.630 1.00 0.00 H new ATOM 635 N LEU A 46 7.584 -3.640 8.456 1.00 0.00 N ATOM 636 CA LEU A 46 7.433 -4.857 9.247 1.00 0.00 C ATOM 637 C LEU A 46 7.652 -6.097 8.386 1.00 0.00 C ATOM 638 O LEU A 46 6.857 -6.394 7.495 1.00 0.00 O ATOM 639 CB LEU A 46 6.044 -4.904 9.886 1.00 0.00 C ATOM 640 CG LEU A 46 5.627 -3.665 10.678 1.00 0.00 C ATOM 641 CD1 LEU A 46 4.139 -3.705 10.988 1.00 0.00 C ATOM 642 CD2 LEU A 46 6.438 -3.555 11.961 1.00 0.00 C ATOM 0 H LEU A 46 7.273 -3.725 7.488 1.00 0.00 H new ATOM 0 HA LEU A 46 8.188 -4.846 10.033 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.309 -5.071 9.098 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.001 -5.767 10.551 1.00 0.00 H new ATOM 0 HG LEU A 46 5.826 -2.784 10.068 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.861 -2.815 11.552 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.574 -3.735 10.056 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.914 -4.594 11.578 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.128 -2.667 12.512 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.270 -4.440 12.574 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.497 -3.479 11.716 1.00 0.00 H new ATOM 654 N ARG A 47 8.735 -6.817 8.660 1.00 0.00 N ATOM 655 CA ARG A 47 9.058 -8.026 7.911 1.00 0.00 C ATOM 656 C ARG A 47 7.833 -8.927 7.779 1.00 0.00 C ATOM 657 O ARG A 47 7.214 -9.300 8.775 1.00 0.00 O ATOM 658 CB ARG A 47 10.193 -8.788 8.597 1.00 0.00 C ATOM 659 CG ARG A 47 11.121 -9.501 7.627 1.00 0.00 C ATOM 660 CD ARG A 47 10.555 -10.848 7.203 1.00 0.00 C ATOM 661 NE ARG A 47 10.557 -11.812 8.300 1.00 0.00 N ATOM 662 CZ ARG A 47 10.542 -13.128 8.121 1.00 0.00 C ATOM 663 NH1 ARG A 47 10.524 -13.634 6.896 1.00 0.00 N ATOM 664 NH2 ARG A 47 10.545 -13.941 9.170 1.00 0.00 N ATOM 0 H ARG A 47 9.403 -6.584 9.395 1.00 0.00 H new ATOM 0 HA ARG A 47 9.380 -7.730 6.912 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.776 -8.091 9.198 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.766 -9.520 9.282 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.278 -8.878 6.747 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.096 -9.645 8.093 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.536 -10.715 6.839 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.141 -11.242 6.373 1.00 0.00 H new ATOM 0 HE ARG A 47 10.571 -11.455 9.256 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.522 -13.012 6.087 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.513 -14.645 6.762 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.559 -13.555 10.114 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.533 -14.952 9.032 1.00 0.00 H new ATOM 678 N SER A 48 7.490 -9.271 6.542 1.00 0.00 N ATOM 679 CA SER A 48 6.337 -10.125 6.278 1.00 0.00 C ATOM 680 C SER A 48 6.613 -11.560 6.714 1.00 0.00 C ATOM 681 O SER A 48 7.727 -11.894 7.116 1.00 0.00 O ATOM 682 CB SER A 48 5.980 -10.091 4.791 1.00 0.00 C ATOM 683 OG SER A 48 4.618 -10.423 4.586 1.00 0.00 O ATOM 0 H SER A 48 7.993 -8.972 5.707 1.00 0.00 H new ATOM 0 HA SER A 48 5.494 -9.744 6.855 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.180 -9.098 4.388 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.614 -10.790 4.245 1.00 0.00 H new ATOM 0 HG SER A 48 4.062 -9.631 4.739 1.00 0.00 H new ATOM 689 N GLN A 49 5.589 -12.404 6.631 1.00 0.00 N ATOM 690 CA GLN A 49 5.721 -13.804 7.017 1.00 0.00 C ATOM 691 C GLN A 49 5.936 -14.689 5.794 1.00 0.00 C ATOM 692 O GLN A 49 6.078 -15.905 5.912 1.00 0.00 O ATOM 693 CB GLN A 49 4.478 -14.263 7.782 1.00 0.00 C ATOM 694 CG GLN A 49 4.437 -13.781 9.223 1.00 0.00 C ATOM 695 CD GLN A 49 4.064 -12.316 9.338 1.00 0.00 C ATOM 696 OE1 GLN A 49 4.924 -11.460 9.549 1.00 0.00 O ATOM 697 NE2 GLN A 49 2.777 -12.020 9.199 1.00 0.00 N ATOM 0 H GLN A 49 4.660 -12.143 6.300 1.00 0.00 H new ATOM 0 HA GLN A 49 6.593 -13.895 7.665 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.589 -13.905 7.263 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.436 -15.352 7.771 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.718 -14.380 9.782 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.412 -13.941 9.684 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.099 -12.762 9.025 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.466 -11.051 9.266 1.00 0.00 H new ATOM 706 N ASN A 50 5.957 -14.069 4.618 1.00 0.00 N ATOM 707 CA ASN A 50 6.154 -14.801 3.372 1.00 0.00 C ATOM 708 C ASN A 50 7.605 -15.250 3.227 1.00 0.00 C ATOM 709 O ASN A 50 7.924 -16.424 3.415 1.00 0.00 O ATOM 710 CB ASN A 50 5.756 -13.931 2.178 1.00 0.00 C ATOM 711 CG ASN A 50 4.279 -14.040 1.850 1.00 0.00 C ATOM 712 OD1 ASN A 50 3.830 -15.036 1.281 1.00 0.00 O ATOM 713 ND2 ASN A 50 3.516 -13.014 2.207 1.00 0.00 N ATOM 0 H ASN A 50 5.840 -13.062 4.502 1.00 0.00 H new ATOM 0 HA ASN A 50 5.520 -15.687 3.396 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.002 -12.891 2.392 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.342 -14.225 1.307 1.00 0.00 H new ATOM 0 HD21 ASN A 50 2.515 -13.031 2.012 1.00 0.00 H new ATOM 0 HD22 ASN A 50 3.931 -12.209 2.677 1.00 0.00 H new ATOM 720 N LEU A 51 8.479 -14.307 2.893 1.00 0.00 N ATOM 721 CA LEU A 51 9.897 -14.604 2.724 1.00 0.00 C ATOM 722 C LEU A 51 10.691 -13.331 2.450 1.00 0.00 C ATOM 723 O LEU A 51 10.176 -12.379 1.866 1.00 0.00 O ATOM 724 CB LEU A 51 10.097 -15.599 1.579 1.00 0.00 C ATOM 725 CG LEU A 51 10.362 -14.993 0.201 1.00 0.00 C ATOM 726 CD1 LEU A 51 9.359 -13.890 -0.099 1.00 0.00 C ATOM 727 CD2 LEU A 51 11.785 -14.459 0.119 1.00 0.00 C ATOM 0 H LEU A 51 8.231 -13.331 2.734 1.00 0.00 H new ATOM 0 HA LEU A 51 10.263 -15.047 3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.932 -16.252 1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 51 9.210 -16.228 1.512 1.00 0.00 H new ATOM 0 HG LEU A 51 10.245 -15.776 -0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.563 -13.470 -1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.350 -14.301 -0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.444 -13.106 0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.957 -14.031 -0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.929 -13.690 0.878 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.490 -15.273 0.289 1.00 0.00 H new ATOM 739 N GLY A 52 11.951 -13.323 2.876 1.00 0.00 N ATOM 740 CA GLY A 52 12.797 -12.163 2.666 1.00 0.00 C ATOM 741 C GLY A 52 12.046 -11.002 2.044 1.00 0.00 C ATOM 742 O GLY A 52 12.154 -10.755 0.843 1.00 0.00 O ATOM 0 H GLY A 52 12.400 -14.099 3.362 1.00 0.00 H new ATOM 0 HA2 GLY A 52 13.220 -11.848 3.620 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.632 -12.438 2.022 1.00 0.00 H new ATOM 746 N LYS A 53 11.281 -10.288 2.863 1.00 0.00 N ATOM 747 CA LYS A 53 10.507 -9.147 2.387 1.00 0.00 C ATOM 748 C LYS A 53 9.854 -8.410 3.552 1.00 0.00 C ATOM 749 O LYS A 53 9.701 -8.961 4.641 1.00 0.00 O ATOM 750 CB LYS A 53 9.436 -9.609 1.396 1.00 0.00 C ATOM 751 CG LYS A 53 8.200 -10.188 2.063 1.00 0.00 C ATOM 752 CD LYS A 53 7.043 -10.307 1.084 1.00 0.00 C ATOM 753 CE LYS A 53 6.594 -8.943 0.583 1.00 0.00 C ATOM 754 NZ LYS A 53 5.288 -9.016 -0.128 1.00 0.00 N ATOM 0 H LYS A 53 11.180 -10.479 3.860 1.00 0.00 H new ATOM 0 HA LYS A 53 11.188 -8.462 1.882 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.141 -8.765 0.773 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.866 -10.359 0.733 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.433 -11.170 2.473 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.906 -9.554 2.900 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.343 -10.926 0.238 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.206 -10.812 1.567 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.511 -8.256 1.425 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.350 -8.535 -0.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.434 -8.833 -1.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.877 -9.963 -0.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.640 -8.303 0.263 1.00 0.00 H new ATOM 768 N VAL A 54 9.469 -7.160 3.313 1.00 0.00 N ATOM 769 CA VAL A 54 8.829 -6.348 4.341 1.00 0.00 C ATOM 770 C VAL A 54 7.483 -5.817 3.864 1.00 0.00 C ATOM 771 O VAL A 54 7.323 -5.461 2.696 1.00 0.00 O ATOM 772 CB VAL A 54 9.720 -5.161 4.753 1.00 0.00 C ATOM 773 CG1 VAL A 54 9.134 -4.447 5.962 1.00 0.00 C ATOM 774 CG2 VAL A 54 11.138 -5.633 5.039 1.00 0.00 C ATOM 0 H VAL A 54 9.589 -6.688 2.417 1.00 0.00 H new ATOM 0 HA VAL A 54 8.675 -6.995 5.205 1.00 0.00 H new ATOM 0 HB VAL A 54 9.757 -4.453 3.925 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.777 -3.612 6.238 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.139 -4.074 5.717 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.065 -5.143 6.798 1.00 0.00 H new ATOM 0 HG21 VAL A 54 11.754 -4.781 5.329 1.00 0.00 H new ATOM 0 HG22 VAL A 54 11.122 -6.362 5.849 1.00 0.00 H new ATOM 0 HG23 VAL A 54 11.555 -6.095 4.144 1.00 0.00 H new ATOM 784 N ASP A 55 6.516 -5.766 4.774 1.00 0.00 N ATOM 785 CA ASP A 55 5.182 -5.277 4.446 1.00 0.00 C ATOM 786 C ASP A 55 4.995 -3.842 4.931 1.00 0.00 C ATOM 787 O ASP A 55 5.083 -3.565 6.128 1.00 0.00 O ATOM 788 CB ASP A 55 4.117 -6.181 5.068 1.00 0.00 C ATOM 789 CG ASP A 55 3.733 -7.332 4.159 1.00 0.00 C ATOM 790 OD1 ASP A 55 4.249 -7.389 3.023 1.00 0.00 O ATOM 791 OD2 ASP A 55 2.917 -8.177 4.584 1.00 0.00 O ATOM 0 H ASP A 55 6.631 -6.057 5.745 1.00 0.00 H new ATOM 0 HA ASP A 55 5.073 -5.293 3.362 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.487 -6.577 6.014 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.230 -5.590 5.295 1.00 0.00 H new ATOM 796 N ILE A 56 4.739 -2.935 3.995 1.00 0.00 N ATOM 797 CA ILE A 56 4.540 -1.530 4.327 1.00 0.00 C ATOM 798 C ILE A 56 3.077 -1.242 4.643 1.00 0.00 C ATOM 799 O ILE A 56 2.195 -1.470 3.814 1.00 0.00 O ATOM 800 CB ILE A 56 4.997 -0.610 3.180 1.00 0.00 C ATOM 801 CG1 ILE A 56 6.380 -1.032 2.679 1.00 0.00 C ATOM 802 CG2 ILE A 56 5.014 0.840 3.639 1.00 0.00 C ATOM 803 CD1 ILE A 56 7.479 -0.834 3.699 1.00 0.00 C ATOM 0 H ILE A 56 4.664 -3.148 3.000 1.00 0.00 H new ATOM 0 HA ILE A 56 5.147 -1.325 5.209 1.00 0.00 H new ATOM 0 HB ILE A 56 4.289 -0.702 2.356 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.348 -2.083 2.391 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.622 -0.463 1.782 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.339 1.478 2.817 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.012 1.134 3.952 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.703 0.948 4.477 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.431 -1.154 3.275 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.539 0.220 3.970 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.261 -1.425 4.588 1.00 0.00 H new ATOM 815 N PHE A 57 2.825 -0.737 5.846 1.00 0.00 N ATOM 816 CA PHE A 57 1.467 -0.416 6.272 1.00 0.00 C ATOM 817 C PHE A 57 1.298 1.089 6.458 1.00 0.00 C ATOM 818 O PHE A 57 2.224 1.782 6.879 1.00 0.00 O ATOM 819 CB PHE A 57 1.133 -1.144 7.575 1.00 0.00 C ATOM 820 CG PHE A 57 1.383 -2.624 7.516 1.00 0.00 C ATOM 821 CD1 PHE A 57 2.675 -3.123 7.535 1.00 0.00 C ATOM 822 CD2 PHE A 57 0.325 -3.515 7.442 1.00 0.00 C ATOM 823 CE1 PHE A 57 2.908 -4.485 7.481 1.00 0.00 C ATOM 824 CE2 PHE A 57 0.552 -4.878 7.388 1.00 0.00 C ATOM 825 CZ PHE A 57 1.845 -5.363 7.407 1.00 0.00 C ATOM 0 H PHE A 57 3.543 -0.541 6.543 1.00 0.00 H new ATOM 0 HA PHE A 57 0.780 -0.748 5.493 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.725 -0.715 8.383 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.085 -0.970 7.821 1.00 0.00 H new ATOM 0 HD1 PHE A 57 3.510 -2.440 7.593 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.688 -3.141 7.426 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.920 -4.861 7.497 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.281 -5.563 7.331 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.024 -6.427 7.364 1.00 0.00 H new ATOM 835 N VAL A 58 0.107 1.588 6.142 1.00 0.00 N ATOM 836 CA VAL A 58 -0.186 3.010 6.275 1.00 0.00 C ATOM 837 C VAL A 58 -0.493 3.375 7.723 1.00 0.00 C ATOM 838 O VAL A 58 -1.373 2.786 8.350 1.00 0.00 O ATOM 839 CB VAL A 58 -1.377 3.423 5.389 1.00 0.00 C ATOM 840 CG1 VAL A 58 -1.633 4.918 5.502 1.00 0.00 C ATOM 841 CG2 VAL A 58 -1.129 3.023 3.943 1.00 0.00 C ATOM 0 H VAL A 58 -0.671 1.028 5.792 1.00 0.00 H new ATOM 0 HA VAL A 58 0.704 3.548 5.949 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.267 2.899 5.739 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.478 5.191 4.869 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.859 5.171 6.538 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.747 5.464 5.180 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.980 3.322 3.332 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.229 3.517 3.578 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.000 1.942 3.881 1.00 0.00 H new ATOM 851 N LYS A 59 0.239 4.352 8.248 1.00 0.00 N ATOM 852 CA LYS A 59 0.045 4.798 9.623 1.00 0.00 C ATOM 853 C LYS A 59 0.034 6.322 9.704 1.00 0.00 C ATOM 854 O LYS A 59 0.455 7.005 8.770 1.00 0.00 O ATOM 855 CB LYS A 59 1.148 4.237 10.524 1.00 0.00 C ATOM 856 CG LYS A 59 1.187 2.719 10.563 1.00 0.00 C ATOM 857 CD LYS A 59 0.373 2.170 11.723 1.00 0.00 C ATOM 858 CE LYS A 59 -0.184 0.790 11.409 1.00 0.00 C ATOM 859 NZ LYS A 59 -0.575 0.056 12.644 1.00 0.00 N ATOM 0 H LYS A 59 0.972 4.850 7.742 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.920 4.426 9.966 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.113 4.608 10.178 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.006 4.615 11.537 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.801 2.320 9.625 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.220 2.383 10.651 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.998 2.117 12.615 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.447 2.852 11.948 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.051 0.888 10.755 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.563 0.212 10.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.805 -0.929 12.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.214 0.072 13.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.407 0.512 13.070 1.00 0.00 H new ATOM 873 N ASP A 60 -0.447 6.847 10.825 1.00 0.00 N ATOM 874 CA ASP A 60 -0.510 8.289 11.028 1.00 0.00 C ATOM 875 C ASP A 60 -1.141 8.981 9.824 1.00 0.00 C ATOM 876 O ASP A 60 -0.554 9.892 9.240 1.00 0.00 O ATOM 877 CB ASP A 60 0.890 8.852 11.279 1.00 0.00 C ATOM 878 CG ASP A 60 1.245 8.883 12.753 1.00 0.00 C ATOM 879 OD1 ASP A 60 0.548 9.584 13.516 1.00 0.00 O ATOM 880 OD2 ASP A 60 2.221 8.208 13.143 1.00 0.00 O ATOM 0 H ASP A 60 -0.799 6.295 11.607 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.133 8.481 11.902 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.623 8.248 10.744 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.951 9.861 10.872 1.00 0.00 H new ATOM 885 N VAL A 61 -2.341 8.541 9.456 1.00 0.00 N ATOM 886 CA VAL A 61 -3.052 9.118 8.321 1.00 0.00 C ATOM 887 C VAL A 61 -3.644 10.476 8.677 1.00 0.00 C ATOM 888 O VAL A 61 -4.801 10.571 9.088 1.00 0.00 O ATOM 889 CB VAL A 61 -4.180 8.189 7.836 1.00 0.00 C ATOM 890 CG1 VAL A 61 -4.887 8.791 6.631 1.00 0.00 C ATOM 891 CG2 VAL A 61 -3.630 6.809 7.507 1.00 0.00 C ATOM 0 H VAL A 61 -2.841 7.787 9.928 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.324 9.242 7.520 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.909 8.082 8.639 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.681 8.120 6.302 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.316 9.755 6.905 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.171 8.930 5.821 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.441 6.166 7.166 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.880 6.894 6.721 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.175 6.377 8.398 1.00 0.00 H new ATOM 901 N GLN A 62 -2.844 11.525 8.515 1.00 0.00 N ATOM 902 CA GLN A 62 -3.291 12.880 8.820 1.00 0.00 C ATOM 903 C GLN A 62 -4.747 13.077 8.413 1.00 0.00 C ATOM 904 O GLN A 62 -5.105 13.001 7.238 1.00 0.00 O ATOM 905 CB GLN A 62 -2.406 13.903 8.106 1.00 0.00 C ATOM 906 CG GLN A 62 -0.972 13.925 8.610 1.00 0.00 C ATOM 907 CD GLN A 62 -0.239 15.196 8.228 1.00 0.00 C ATOM 908 OE1 GLN A 62 -0.342 15.670 7.096 1.00 0.00 O ATOM 909 NE2 GLN A 62 0.507 15.756 9.173 1.00 0.00 N ATOM 0 H GLN A 62 -1.884 11.463 8.175 1.00 0.00 H new ATOM 0 HA GLN A 62 -3.211 13.029 9.897 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.403 13.686 7.038 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -2.841 14.895 8.229 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.971 13.821 9.695 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.436 13.066 8.207 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.564 15.329 10.098 1.00 0.00 H new ATOM 0 HE22 GLN A 62 1.023 16.613 8.974 1.00 0.00 H new ATOM 918 N PRO A 63 -5.610 13.336 9.408 1.00 0.00 N ATOM 919 CA PRO A 63 -7.041 13.550 9.178 1.00 0.00 C ATOM 920 C PRO A 63 -7.323 14.865 8.459 1.00 0.00 C ATOM 921 O PRO A 63 -8.467 15.167 8.123 1.00 0.00 O ATOM 922 CB PRO A 63 -7.627 13.578 10.592 1.00 0.00 C ATOM 923 CG PRO A 63 -6.496 14.005 11.462 1.00 0.00 C ATOM 924 CD PRO A 63 -5.253 13.441 10.833 1.00 0.00 C ATOM 0 HA PRO A 63 -7.470 12.779 8.538 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -8.463 14.274 10.660 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -8.003 12.598 10.884 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -6.442 15.092 11.526 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.623 13.632 12.478 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.394 14.094 10.985 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -4.994 12.470 11.255 1.00 0.00 H new ATOM 932 N GLY A 64 -6.271 15.644 8.226 1.00 0.00 N ATOM 933 CA GLY A 64 -6.427 16.918 7.548 1.00 0.00 C ATOM 934 C GLY A 64 -5.471 17.075 6.382 1.00 0.00 C ATOM 935 O GLY A 64 -4.837 18.119 6.227 1.00 0.00 O ATOM 0 H GLY A 64 -5.314 15.416 8.495 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.452 17.012 7.189 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.263 17.727 8.260 1.00 0.00 H new ATOM 939 N SER A 65 -5.366 16.035 5.561 1.00 0.00 N ATOM 940 CA SER A 65 -4.475 16.060 4.406 1.00 0.00 C ATOM 941 C SER A 65 -5.098 15.323 3.224 1.00 0.00 C ATOM 942 O SER A 65 -6.217 14.819 3.312 1.00 0.00 O ATOM 943 CB SER A 65 -3.127 15.431 4.762 1.00 0.00 C ATOM 944 OG SER A 65 -2.081 15.996 3.990 1.00 0.00 O ATOM 0 H SER A 65 -5.886 15.165 5.674 1.00 0.00 H new ATOM 0 HA SER A 65 -4.318 17.100 4.121 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.922 15.579 5.822 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.168 14.355 4.593 1.00 0.00 H new ATOM 0 HG SER A 65 -1.247 15.975 4.504 1.00 0.00 H new ATOM 950 N VAL A 66 -4.363 15.266 2.118 1.00 0.00 N ATOM 951 CA VAL A 66 -4.841 14.591 0.917 1.00 0.00 C ATOM 952 C VAL A 66 -5.211 13.141 1.213 1.00 0.00 C ATOM 953 O VAL A 66 -6.095 12.573 0.573 1.00 0.00 O ATOM 954 CB VAL A 66 -3.784 14.621 -0.202 1.00 0.00 C ATOM 955 CG1 VAL A 66 -2.568 13.796 0.189 1.00 0.00 C ATOM 956 CG2 VAL A 66 -4.379 14.122 -1.510 1.00 0.00 C ATOM 0 H VAL A 66 -3.435 15.679 2.029 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.728 15.129 0.583 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.462 15.652 -0.346 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.832 13.829 -0.614 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.129 14.203 1.100 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.870 12.763 0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.618 14.150 -2.290 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.731 13.098 -1.383 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.215 14.760 -1.796 1.00 0.00 H new ATOM 966 N ALA A 67 -4.528 12.549 2.187 1.00 0.00 N ATOM 967 CA ALA A 67 -4.787 11.166 2.569 1.00 0.00 C ATOM 968 C ALA A 67 -6.111 11.042 3.316 1.00 0.00 C ATOM 969 O ALA A 67 -6.678 9.953 3.415 1.00 0.00 O ATOM 970 CB ALA A 67 -3.645 10.633 3.422 1.00 0.00 C ATOM 0 H ALA A 67 -3.792 13.005 2.726 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.856 10.569 1.659 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.851 9.599 3.701 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.715 10.678 2.855 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.550 11.239 4.323 1.00 0.00 H new ATOM 976 N ASP A 68 -6.597 12.161 3.839 1.00 0.00 N ATOM 977 CA ASP A 68 -7.855 12.177 4.577 1.00 0.00 C ATOM 978 C ASP A 68 -9.031 12.431 3.639 1.00 0.00 C ATOM 979 O ASP A 68 -9.981 11.649 3.593 1.00 0.00 O ATOM 980 CB ASP A 68 -7.817 13.247 5.669 1.00 0.00 C ATOM 981 CG ASP A 68 -9.191 13.546 6.234 1.00 0.00 C ATOM 982 OD1 ASP A 68 -9.675 12.755 7.071 1.00 0.00 O ATOM 983 OD2 ASP A 68 -9.783 14.573 5.841 1.00 0.00 O ATOM 0 H ASP A 68 -6.139 13.070 3.766 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.988 11.200 5.042 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.160 12.917 6.474 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.388 14.162 5.262 1.00 0.00 H new ATOM 988 N ARG A 69 -8.961 13.530 2.895 1.00 0.00 N ATOM 989 CA ARG A 69 -10.021 13.889 1.960 1.00 0.00 C ATOM 990 C ARG A 69 -10.319 12.735 1.007 1.00 0.00 C ATOM 991 O ARG A 69 -11.479 12.425 0.734 1.00 0.00 O ATOM 992 CB ARG A 69 -9.629 15.134 1.164 1.00 0.00 C ATOM 993 CG ARG A 69 -8.341 14.971 0.373 1.00 0.00 C ATOM 994 CD ARG A 69 -7.747 16.317 -0.009 1.00 0.00 C ATOM 995 NE ARG A 69 -6.930 16.233 -1.216 1.00 0.00 N ATOM 996 CZ ARG A 69 -7.436 16.118 -2.439 1.00 0.00 C ATOM 997 NH1 ARG A 69 -8.749 16.075 -2.616 1.00 0.00 N ATOM 998 NH2 ARG A 69 -6.627 16.046 -3.489 1.00 0.00 N ATOM 0 H ARG A 69 -8.181 14.187 2.921 1.00 0.00 H new ATOM 0 HA ARG A 69 -10.921 14.104 2.536 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -10.438 15.385 0.478 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -9.520 15.974 1.850 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.619 14.408 0.964 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.537 14.390 -0.528 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -8.551 17.037 -0.165 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -7.139 16.692 0.815 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.916 16.264 -1.115 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.374 16.130 -1.812 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.134 15.987 -3.556 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -5.616 16.079 -3.357 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.016 15.958 -4.428 1.00 0.00 H new ATOM 1012 N ASP A 70 -9.264 12.103 0.504 1.00 0.00 N ATOM 1013 CA ASP A 70 -9.411 10.984 -0.419 1.00 0.00 C ATOM 1014 C ASP A 70 -10.526 10.047 0.037 1.00 0.00 C ATOM 1015 O ASP A 70 -11.110 9.325 -0.769 1.00 0.00 O ATOM 1016 CB ASP A 70 -8.095 10.213 -0.534 1.00 0.00 C ATOM 1017 CG ASP A 70 -8.154 9.121 -1.584 1.00 0.00 C ATOM 1018 OD1 ASP A 70 -8.979 9.235 -2.514 1.00 0.00 O ATOM 1019 OD2 ASP A 70 -7.373 8.153 -1.476 1.00 0.00 O ATOM 0 H ASP A 70 -8.297 12.347 0.720 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.675 11.385 -1.398 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.291 10.907 -0.780 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.850 9.771 0.432 1.00 0.00 H new ATOM 1024 N GLN A 71 -10.813 10.065 1.335 1.00 0.00 N ATOM 1025 CA GLN A 71 -11.856 9.215 1.898 1.00 0.00 C ATOM 1026 C GLN A 71 -11.826 7.827 1.268 1.00 0.00 C ATOM 1027 O GLN A 71 -12.854 7.156 1.172 1.00 0.00 O ATOM 1028 CB GLN A 71 -13.230 9.853 1.690 1.00 0.00 C ATOM 1029 CG GLN A 71 -13.603 10.031 0.227 1.00 0.00 C ATOM 1030 CD GLN A 71 -14.993 10.608 0.045 1.00 0.00 C ATOM 1031 OE1 GLN A 71 -15.578 11.156 0.980 1.00 0.00 O ATOM 1032 NE2 GLN A 71 -15.531 10.487 -1.163 1.00 0.00 N ATOM 0 H GLN A 71 -10.339 10.658 2.016 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.669 9.113 2.967 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -13.985 9.236 2.176 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -13.248 10.826 2.182 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -12.876 10.687 -0.252 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -13.545 9.067 -0.279 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -15.011 10.025 -1.909 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -16.465 10.856 -1.345 1.00 0.00 H new ATOM 1041 N ARG A 72 -10.642 7.402 0.839 1.00 0.00 N ATOM 1042 CA ARG A 72 -10.479 6.094 0.216 1.00 0.00 C ATOM 1043 C ARG A 72 -9.456 5.254 0.975 1.00 0.00 C ATOM 1044 O ARG A 72 -9.616 4.042 1.120 1.00 0.00 O ATOM 1045 CB ARG A 72 -10.045 6.250 -1.242 1.00 0.00 C ATOM 1046 CG ARG A 72 -11.207 6.371 -2.214 1.00 0.00 C ATOM 1047 CD ARG A 72 -10.722 6.585 -3.639 1.00 0.00 C ATOM 1048 NE ARG A 72 -11.826 6.849 -4.559 1.00 0.00 N ATOM 1049 CZ ARG A 72 -12.697 5.924 -4.946 1.00 0.00 C ATOM 1050 NH1 ARG A 72 -12.593 4.681 -4.495 1.00 0.00 N ATOM 1051 NH2 ARG A 72 -13.674 6.241 -5.786 1.00 0.00 N ATOM 0 H ARG A 72 -9.781 7.945 0.912 1.00 0.00 H new ATOM 0 HA ARG A 72 -11.441 5.582 0.249 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.414 7.134 -1.332 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -9.434 5.392 -1.524 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -11.817 5.469 -2.168 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.846 7.203 -1.917 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.023 7.421 -3.662 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.175 5.703 -3.972 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.934 7.795 -4.924 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -11.843 4.434 -3.850 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -13.263 3.972 -4.794 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -13.757 7.196 -6.135 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -14.342 5.530 -6.083 1.00 0.00 H new ATOM 1065 N LEU A 73 -8.404 5.907 1.458 1.00 0.00 N ATOM 1066 CA LEU A 73 -7.353 5.221 2.202 1.00 0.00 C ATOM 1067 C LEU A 73 -7.693 5.155 3.688 1.00 0.00 C ATOM 1068 O LEU A 73 -8.102 6.149 4.287 1.00 0.00 O ATOM 1069 CB LEU A 73 -6.013 5.932 2.005 1.00 0.00 C ATOM 1070 CG LEU A 73 -4.768 5.047 2.069 1.00 0.00 C ATOM 1071 CD1 LEU A 73 -3.598 5.722 1.370 1.00 0.00 C ATOM 1072 CD2 LEU A 73 -4.415 4.727 3.514 1.00 0.00 C ATOM 0 H LEU A 73 -8.256 6.910 1.348 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.276 4.203 1.819 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.029 6.433 1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.922 6.709 2.764 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.983 4.111 1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.720 5.078 1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.852 5.900 0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.382 6.672 1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.526 4.096 3.540 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.219 5.653 4.054 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.247 4.202 3.984 1.00 0.00 H new ATOM 1084 N LYS A 74 -7.518 3.977 4.277 1.00 0.00 N ATOM 1085 CA LYS A 74 -7.802 3.780 5.694 1.00 0.00 C ATOM 1086 C LYS A 74 -6.557 3.308 6.438 1.00 0.00 C ATOM 1087 O LYS A 74 -5.656 2.716 5.845 1.00 0.00 O ATOM 1088 CB LYS A 74 -8.932 2.763 5.872 1.00 0.00 C ATOM 1089 CG LYS A 74 -8.655 1.424 5.211 1.00 0.00 C ATOM 1090 CD LYS A 74 -7.741 0.559 6.063 1.00 0.00 C ATOM 1091 CE LYS A 74 -7.974 -0.921 5.804 1.00 0.00 C ATOM 1092 NZ LYS A 74 -9.177 -1.427 6.521 1.00 0.00 N ATOM 0 H LYS A 74 -7.181 3.144 3.795 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.113 4.737 6.113 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.103 2.605 6.937 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.852 3.179 5.460 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.596 0.901 5.039 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.197 1.587 4.235 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.701 0.807 5.851 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.912 0.776 7.117 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.092 -1.088 4.733 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.098 -1.487 6.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.301 -2.440 6.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.054 -1.291 7.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.017 -0.904 6.201 1.00 0.00 H new ATOM 1106 N GLU A 75 -6.515 3.573 7.740 1.00 0.00 N ATOM 1107 CA GLU A 75 -5.380 3.174 8.564 1.00 0.00 C ATOM 1108 C GLU A 75 -5.143 1.670 8.472 1.00 0.00 C ATOM 1109 O GLU A 75 -6.074 0.897 8.250 1.00 0.00 O ATOM 1110 CB GLU A 75 -5.613 3.577 10.022 1.00 0.00 C ATOM 1111 CG GLU A 75 -4.332 3.879 10.782 1.00 0.00 C ATOM 1112 CD GLU A 75 -3.919 5.334 10.674 1.00 0.00 C ATOM 1113 OE1 GLU A 75 -4.694 6.205 11.120 1.00 0.00 O ATOM 1114 OE2 GLU A 75 -2.821 5.601 10.143 1.00 0.00 O ATOM 0 H GLU A 75 -7.253 4.062 8.246 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.494 3.687 8.190 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.257 4.456 10.049 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.147 2.775 10.531 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.468 3.621 11.832 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.530 3.248 10.400 1.00 0.00 H new ATOM 1121 N ASN A 76 -3.890 1.262 8.645 1.00 0.00 N ATOM 1122 CA ASN A 76 -3.529 -0.150 8.581 1.00 0.00 C ATOM 1123 C ASN A 76 -3.739 -0.701 7.174 1.00 0.00 C ATOM 1124 O ASN A 76 -4.416 -1.712 6.986 1.00 0.00 O ATOM 1125 CB ASN A 76 -4.357 -0.955 9.584 1.00 0.00 C ATOM 1126 CG ASN A 76 -4.280 -0.383 10.987 1.00 0.00 C ATOM 1127 OD1 ASN A 76 -5.161 0.363 11.414 1.00 0.00 O ATOM 1128 ND2 ASN A 76 -3.223 -0.733 11.711 1.00 0.00 N ATOM 0 H ASN A 76 -3.107 1.889 8.831 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.473 -0.242 8.835 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -5.397 -0.975 9.259 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -4.006 -1.987 9.595 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -3.117 -0.381 12.662 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -2.517 -1.354 11.316 1.00 0.00 H new ATOM 1135 N ASP A 77 -3.153 -0.030 6.188 1.00 0.00 N ATOM 1136 CA ASP A 77 -3.274 -0.453 4.798 1.00 0.00 C ATOM 1137 C ASP A 77 -1.936 -0.955 4.264 1.00 0.00 C ATOM 1138 O ASP A 77 -1.038 -0.165 3.974 1.00 0.00 O ATOM 1139 CB ASP A 77 -3.781 0.702 3.933 1.00 0.00 C ATOM 1140 CG ASP A 77 -5.294 0.736 3.842 1.00 0.00 C ATOM 1141 OD1 ASP A 77 -5.923 -0.332 4.000 1.00 0.00 O ATOM 1142 OD2 ASP A 77 -5.850 1.830 3.613 1.00 0.00 O ATOM 0 H ASP A 77 -2.590 0.809 6.326 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.992 -1.272 4.755 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.423 1.645 4.346 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.361 0.613 2.931 1.00 0.00 H new ATOM 1147 N GLN A 78 -1.811 -2.272 4.139 1.00 0.00 N ATOM 1148 CA GLN A 78 -0.581 -2.879 3.642 1.00 0.00 C ATOM 1149 C GLN A 78 -0.381 -2.569 2.162 1.00 0.00 C ATOM 1150 O GLN A 78 -0.977 -3.213 1.298 1.00 0.00 O ATOM 1151 CB GLN A 78 -0.611 -4.393 3.860 1.00 0.00 C ATOM 1152 CG GLN A 78 0.768 -5.008 4.038 1.00 0.00 C ATOM 1153 CD GLN A 78 0.836 -6.440 3.545 1.00 0.00 C ATOM 1154 OE1 GLN A 78 0.193 -7.331 4.099 1.00 0.00 O ATOM 1155 NE2 GLN A 78 1.619 -6.668 2.496 1.00 0.00 N ATOM 0 H GLN A 78 -2.546 -2.939 4.375 1.00 0.00 H new ATOM 0 HA GLN A 78 0.255 -2.456 4.199 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -1.215 -4.613 4.740 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.103 -4.865 3.010 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.502 -4.407 3.500 1.00 0.00 H new ATOM 0 HG3 GLN A 78 1.042 -4.977 5.093 1.00 0.00 H new ATOM 0 HE21 GLN A 78 2.134 -5.899 2.068 1.00 0.00 H new ATOM 0 HE22 GLN A 78 1.705 -7.612 2.119 1.00 0.00 H new ATOM 1164 N ILE A 79 0.460 -1.581 1.878 1.00 0.00 N ATOM 1165 CA ILE A 79 0.739 -1.188 0.503 1.00 0.00 C ATOM 1166 C ILE A 79 1.452 -2.303 -0.254 1.00 0.00 C ATOM 1167 O ILE A 79 2.564 -2.697 0.100 1.00 0.00 O ATOM 1168 CB ILE A 79 1.601 0.088 0.446 1.00 0.00 C ATOM 1169 CG1 ILE A 79 0.866 1.256 1.107 1.00 0.00 C ATOM 1170 CG2 ILE A 79 1.953 0.425 -0.995 1.00 0.00 C ATOM 1171 CD1 ILE A 79 1.593 2.576 0.982 1.00 0.00 C ATOM 0 H ILE A 79 0.960 -1.038 2.582 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.223 -0.989 0.031 1.00 0.00 H new ATOM 0 HB ILE A 79 2.526 -0.091 0.994 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.123 1.352 0.660 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.718 1.031 2.163 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.562 1.329 -1.019 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.511 -0.401 -1.436 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.038 0.589 -1.564 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.014 3.358 1.473 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.572 2.498 1.455 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.718 2.824 -0.072 1.00 0.00 H new ATOM 1183 N LEU A 80 0.806 -2.807 -1.300 1.00 0.00 N ATOM 1184 CA LEU A 80 1.378 -3.877 -2.110 1.00 0.00 C ATOM 1185 C LEU A 80 2.312 -3.313 -3.176 1.00 0.00 C ATOM 1186 O LEU A 80 3.400 -3.840 -3.404 1.00 0.00 O ATOM 1187 CB LEU A 80 0.266 -4.694 -2.771 1.00 0.00 C ATOM 1188 CG LEU A 80 -0.768 -5.307 -1.826 1.00 0.00 C ATOM 1189 CD1 LEU A 80 -1.836 -6.051 -2.613 1.00 0.00 C ATOM 1190 CD2 LEU A 80 -0.094 -6.237 -0.828 1.00 0.00 C ATOM 0 H LEU A 80 -0.114 -2.492 -1.607 1.00 0.00 H new ATOM 0 HA LEU A 80 1.956 -4.527 -1.453 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.256 -4.053 -3.481 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.726 -5.498 -3.345 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.249 -4.500 -1.273 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.563 -6.480 -1.924 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.340 -5.358 -3.287 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.371 -6.848 -3.193 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.845 -6.664 -0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.414 -7.039 -1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.633 -5.675 -0.241 1.00 0.00 H new ATOM 1202 N ALA A 81 1.880 -2.236 -3.824 1.00 0.00 N ATOM 1203 CA ALA A 81 2.679 -1.597 -4.862 1.00 0.00 C ATOM 1204 C ALA A 81 2.562 -0.079 -4.788 1.00 0.00 C ATOM 1205 O ALA A 81 1.536 0.455 -4.365 1.00 0.00 O ATOM 1206 CB ALA A 81 2.254 -2.095 -6.236 1.00 0.00 C ATOM 0 H ALA A 81 0.981 -1.788 -3.648 1.00 0.00 H new ATOM 0 HA ALA A 81 3.723 -1.863 -4.698 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.859 -1.610 -7.002 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.396 -3.174 -6.292 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.203 -1.858 -6.400 1.00 0.00 H new ATOM 1212 N ILE A 82 3.620 0.612 -5.202 1.00 0.00 N ATOM 1213 CA ILE A 82 3.635 2.069 -5.182 1.00 0.00 C ATOM 1214 C ILE A 82 4.131 2.632 -6.510 1.00 0.00 C ATOM 1215 O ILE A 82 5.267 2.387 -6.914 1.00 0.00 O ATOM 1216 CB ILE A 82 4.524 2.608 -4.046 1.00 0.00 C ATOM 1217 CG1 ILE A 82 4.002 2.128 -2.690 1.00 0.00 C ATOM 1218 CG2 ILE A 82 4.578 4.128 -4.091 1.00 0.00 C ATOM 1219 CD1 ILE A 82 5.052 2.139 -1.601 1.00 0.00 C ATOM 0 H ILE A 82 4.477 0.186 -5.555 1.00 0.00 H new ATOM 0 HA ILE A 82 2.608 2.392 -5.013 1.00 0.00 H new ATOM 0 HB ILE A 82 5.535 2.224 -4.182 1.00 0.00 H new ATOM 0 HG12 ILE A 82 3.168 2.761 -2.386 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.612 1.116 -2.797 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.210 4.494 -3.282 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.991 4.449 -5.047 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.572 4.531 -3.976 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.612 1.787 -0.668 1.00 0.00 H new ATOM 0 HD12 ILE A 82 5.876 1.484 -1.884 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.425 3.154 -1.466 1.00 0.00 H new ATOM 1231 N ASN A 83 3.270 3.388 -7.184 1.00 0.00 N ATOM 1232 CA ASN A 83 3.621 3.987 -8.467 1.00 0.00 C ATOM 1233 C ASN A 83 3.889 2.911 -9.515 1.00 0.00 C ATOM 1234 O ASN A 83 4.905 2.945 -10.210 1.00 0.00 O ATOM 1235 CB ASN A 83 4.851 4.884 -8.315 1.00 0.00 C ATOM 1236 CG ASN A 83 4.719 5.854 -7.157 1.00 0.00 C ATOM 1237 OD1 ASN A 83 3.675 6.481 -6.973 1.00 0.00 O ATOM 1238 ND2 ASN A 83 5.780 5.982 -6.369 1.00 0.00 N ATOM 0 H ASN A 83 2.325 3.600 -6.864 1.00 0.00 H new ATOM 0 HA ASN A 83 2.777 4.591 -8.800 1.00 0.00 H new ATOM 0 HB2 ASN A 83 5.734 4.263 -8.166 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.006 5.443 -9.238 1.00 0.00 H new ATOM 0 HD21 ASN A 83 5.751 6.620 -5.574 1.00 0.00 H new ATOM 0 HD22 ASN A 83 6.624 5.442 -6.559 1.00 0.00 H new ATOM 1245 N HIS A 84 2.971 1.955 -9.623 1.00 0.00 N ATOM 1246 CA HIS A 84 3.108 0.869 -10.586 1.00 0.00 C ATOM 1247 C HIS A 84 4.374 0.060 -10.318 1.00 0.00 C ATOM 1248 O HIS A 84 5.194 -0.146 -11.213 1.00 0.00 O ATOM 1249 CB HIS A 84 3.136 1.423 -12.011 1.00 0.00 C ATOM 1250 CG HIS A 84 2.986 0.371 -13.066 1.00 0.00 C ATOM 1251 ND1 HIS A 84 3.399 0.548 -14.370 1.00 0.00 N ATOM 1252 CD2 HIS A 84 2.466 -0.877 -13.004 1.00 0.00 C ATOM 1253 CE1 HIS A 84 3.138 -0.545 -15.064 1.00 0.00 C ATOM 1254 NE2 HIS A 84 2.572 -1.425 -14.259 1.00 0.00 N ATOM 0 H HIS A 84 2.125 1.911 -9.055 1.00 0.00 H new ATOM 0 HA HIS A 84 2.247 0.210 -10.477 1.00 0.00 H new ATOM 0 HB2 HIS A 84 2.336 2.155 -12.123 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.076 1.952 -12.168 1.00 0.00 H new ATOM 0 HD2 HIS A 84 2.046 -1.353 -12.130 1.00 0.00 H new ATOM 0 HE1 HIS A 84 3.351 -0.694 -16.112 1.00 0.00 H new ATOM 0 HE2 HIS A 84 2.264 -2.360 -14.526 1.00 0.00 H new ATOM 1263 N THR A 85 4.528 -0.395 -9.078 1.00 0.00 N ATOM 1264 CA THR A 85 5.694 -1.179 -8.691 1.00 0.00 C ATOM 1265 C THR A 85 5.443 -1.932 -7.390 1.00 0.00 C ATOM 1266 O THR A 85 5.268 -1.339 -6.325 1.00 0.00 O ATOM 1267 CB THR A 85 6.939 -0.288 -8.524 1.00 0.00 C ATOM 1268 OG1 THR A 85 7.334 0.245 -9.793 1.00 0.00 O ATOM 1269 CG2 THR A 85 8.091 -1.076 -7.918 1.00 0.00 C ATOM 0 H THR A 85 3.859 -0.234 -8.325 1.00 0.00 H new ATOM 0 HA THR A 85 5.874 -1.895 -9.493 1.00 0.00 H new ATOM 0 HB THR A 85 6.685 0.530 -7.850 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.775 -0.143 -10.499 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.959 -0.426 -7.810 1.00 0.00 H new ATOM 0 HG22 THR A 85 7.797 -1.455 -6.939 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.343 -1.912 -8.570 1.00 0.00 H new ATOM 1277 N PRO A 86 5.424 -3.270 -7.473 1.00 0.00 N ATOM 1278 CA PRO A 86 5.197 -4.133 -6.310 1.00 0.00 C ATOM 1279 C PRO A 86 6.369 -4.112 -5.335 1.00 0.00 C ATOM 1280 O PRO A 86 7.529 -4.038 -5.743 1.00 0.00 O ATOM 1281 CB PRO A 86 5.039 -5.525 -6.927 1.00 0.00 C ATOM 1282 CG PRO A 86 5.784 -5.456 -8.215 1.00 0.00 C ATOM 1283 CD PRO A 86 5.625 -4.045 -8.710 1.00 0.00 C ATOM 0 HA PRO A 86 4.336 -3.811 -5.725 1.00 0.00 H new ATOM 0 HB2 PRO A 86 5.448 -6.296 -6.274 1.00 0.00 H new ATOM 0 HB3 PRO A 86 3.989 -5.769 -7.090 1.00 0.00 H new ATOM 0 HG2 PRO A 86 6.836 -5.703 -8.071 1.00 0.00 H new ATOM 0 HG3 PRO A 86 5.385 -6.170 -8.936 1.00 0.00 H new ATOM 0 HD2 PRO A 86 6.507 -3.709 -9.256 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.776 -3.950 -9.386 1.00 0.00 H new ATOM 1291 N LEU A 87 6.060 -4.179 -4.045 1.00 0.00 N ATOM 1292 CA LEU A 87 7.088 -4.169 -3.010 1.00 0.00 C ATOM 1293 C LEU A 87 7.427 -5.587 -2.565 1.00 0.00 C ATOM 1294 O LEU A 87 7.539 -5.864 -1.371 1.00 0.00 O ATOM 1295 CB LEU A 87 6.623 -3.343 -1.809 1.00 0.00 C ATOM 1296 CG LEU A 87 5.910 -2.029 -2.134 1.00 0.00 C ATOM 1297 CD1 LEU A 87 5.406 -1.367 -0.861 1.00 0.00 C ATOM 1298 CD2 LEU A 87 6.838 -1.092 -2.893 1.00 0.00 C ATOM 0 H LEU A 87 5.106 -4.241 -3.690 1.00 0.00 H new ATOM 0 HA LEU A 87 7.986 -3.715 -3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.953 -3.958 -1.208 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.491 -3.119 -1.190 1.00 0.00 H new ATOM 0 HG LEU A 87 5.052 -2.251 -2.769 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.902 -0.434 -1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.706 -2.034 -0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.248 -1.159 -0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.314 -0.163 -3.116 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.716 -0.877 -2.284 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.150 -1.565 -3.824 1.00 0.00 H new ATOM 1310 N ASP A 88 7.592 -6.482 -3.533 1.00 0.00 N ATOM 1311 CA ASP A 88 7.922 -7.872 -3.241 1.00 0.00 C ATOM 1312 C ASP A 88 9.352 -7.994 -2.724 1.00 0.00 C ATOM 1313 O ASP A 88 10.064 -6.998 -2.601 1.00 0.00 O ATOM 1314 CB ASP A 88 7.744 -8.734 -4.492 1.00 0.00 C ATOM 1315 CG ASP A 88 8.459 -8.158 -5.699 1.00 0.00 C ATOM 1316 OD1 ASP A 88 9.188 -7.158 -5.535 1.00 0.00 O ATOM 1317 OD2 ASP A 88 8.289 -8.708 -6.807 1.00 0.00 O ATOM 0 H ASP A 88 7.503 -6.270 -4.527 1.00 0.00 H new ATOM 0 HA ASP A 88 7.243 -8.226 -2.465 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.121 -9.738 -4.295 1.00 0.00 H new ATOM 0 HB3 ASP A 88 6.681 -8.831 -4.715 1.00 0.00 H new ATOM 1322 N GLN A 89 9.764 -9.221 -2.422 1.00 0.00 N ATOM 1323 CA GLN A 89 11.108 -9.472 -1.916 1.00 0.00 C ATOM 1324 C GLN A 89 12.126 -8.566 -2.601 1.00 0.00 C ATOM 1325 O GLN A 89 13.069 -8.088 -1.971 1.00 0.00 O ATOM 1326 CB GLN A 89 11.490 -10.938 -2.127 1.00 0.00 C ATOM 1327 CG GLN A 89 11.434 -11.378 -3.581 1.00 0.00 C ATOM 1328 CD GLN A 89 12.079 -12.731 -3.806 1.00 0.00 C ATOM 1329 OE1 GLN A 89 13.300 -12.836 -3.935 1.00 0.00 O ATOM 1330 NE2 GLN A 89 11.262 -13.777 -3.855 1.00 0.00 N ATOM 0 H GLN A 89 9.187 -10.056 -2.519 1.00 0.00 H new ATOM 0 HA GLN A 89 11.113 -9.252 -0.848 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.498 -11.101 -1.745 1.00 0.00 H new ATOM 0 HB3 GLN A 89 10.821 -11.567 -1.540 1.00 0.00 H new ATOM 0 HG2 GLN A 89 10.394 -11.417 -3.905 1.00 0.00 H new ATOM 0 HG3 GLN A 89 11.933 -10.634 -4.201 1.00 0.00 H new ATOM 0 HE21 GLN A 89 10.257 -13.645 -3.743 1.00 0.00 H new ATOM 0 HE22 GLN A 89 11.640 -14.713 -4.004 1.00 0.00 H new ATOM 1339 N ASN A 90 11.928 -8.334 -3.894 1.00 0.00 N ATOM 1340 CA ASN A 90 12.829 -7.486 -4.665 1.00 0.00 C ATOM 1341 C ASN A 90 13.103 -6.176 -3.932 1.00 0.00 C ATOM 1342 O ASN A 90 14.249 -5.864 -3.605 1.00 0.00 O ATOM 1343 CB ASN A 90 12.235 -7.196 -6.045 1.00 0.00 C ATOM 1344 CG ASN A 90 11.625 -8.430 -6.682 1.00 0.00 C ATOM 1345 OD1 ASN A 90 11.846 -9.551 -6.225 1.00 0.00 O ATOM 1346 ND2 ASN A 90 10.852 -8.227 -7.743 1.00 0.00 N ATOM 0 H ASN A 90 11.151 -8.721 -4.430 1.00 0.00 H new ATOM 0 HA ASN A 90 13.772 -8.018 -4.787 1.00 0.00 H new ATOM 0 HB2 ASN A 90 11.472 -6.422 -5.954 1.00 0.00 H new ATOM 0 HB3 ASN A 90 13.014 -6.801 -6.697 1.00 0.00 H new ATOM 0 HD21 ASN A 90 10.414 -9.019 -8.214 1.00 0.00 H new ATOM 0 HD22 ASN A 90 10.697 -7.279 -8.087 1.00 0.00 H new ATOM 1353 N ILE A 91 12.045 -5.414 -3.678 1.00 0.00 N ATOM 1354 CA ILE A 91 12.171 -4.139 -2.983 1.00 0.00 C ATOM 1355 C ILE A 91 11.961 -4.308 -1.482 1.00 0.00 C ATOM 1356 O ILE A 91 11.054 -5.018 -1.048 1.00 0.00 O ATOM 1357 CB ILE A 91 11.164 -3.104 -3.517 1.00 0.00 C ATOM 1358 CG1 ILE A 91 11.753 -2.360 -4.718 1.00 0.00 C ATOM 1359 CG2 ILE A 91 10.777 -2.125 -2.419 1.00 0.00 C ATOM 1360 CD1 ILE A 91 10.853 -1.268 -5.252 1.00 0.00 C ATOM 0 H ILE A 91 11.091 -5.657 -3.943 1.00 0.00 H new ATOM 0 HA ILE A 91 13.183 -3.778 -3.168 1.00 0.00 H new ATOM 0 HB ILE A 91 10.265 -3.628 -3.842 1.00 0.00 H new ATOM 0 HG12 ILE A 91 12.710 -1.924 -4.431 1.00 0.00 H new ATOM 0 HG13 ILE A 91 11.955 -3.075 -5.515 1.00 0.00 H new ATOM 0 HG21 ILE A 91 10.065 -1.400 -2.813 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.322 -2.668 -1.591 1.00 0.00 H new ATOM 0 HG23 ILE A 91 11.667 -1.604 -2.066 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.334 -0.783 -6.102 1.00 0.00 H new ATOM 0 HD12 ILE A 91 9.905 -1.701 -5.570 1.00 0.00 H new ATOM 0 HD13 ILE A 91 10.671 -0.531 -4.469 1.00 0.00 H new ATOM 1372 N SER A 92 12.805 -3.650 -0.694 1.00 0.00 N ATOM 1373 CA SER A 92 12.713 -3.729 0.759 1.00 0.00 C ATOM 1374 C SER A 92 11.851 -2.598 1.312 1.00 0.00 C ATOM 1375 O SER A 92 11.260 -1.825 0.555 1.00 0.00 O ATOM 1376 CB SER A 92 14.108 -3.673 1.384 1.00 0.00 C ATOM 1377 OG SER A 92 14.859 -4.831 1.059 1.00 0.00 O ATOM 0 H SER A 92 13.560 -3.056 -1.037 1.00 0.00 H new ATOM 0 HA SER A 92 12.245 -4.679 1.016 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.632 -2.785 1.032 1.00 0.00 H new ATOM 0 HB3 SER A 92 14.022 -3.584 2.467 1.00 0.00 H new ATOM 0 HG SER A 92 15.747 -4.770 1.469 1.00 0.00 H new ATOM 1383 N HIS A 93 11.783 -2.506 2.636 1.00 0.00 N ATOM 1384 CA HIS A 93 10.994 -1.469 3.291 1.00 0.00 C ATOM 1385 C HIS A 93 11.531 -0.082 2.952 1.00 0.00 C ATOM 1386 O HIS A 93 10.767 0.828 2.632 1.00 0.00 O ATOM 1387 CB HIS A 93 10.999 -1.675 4.806 1.00 0.00 C ATOM 1388 CG HIS A 93 12.105 -0.946 5.506 1.00 0.00 C ATOM 1389 ND1 HIS A 93 13.276 -1.556 5.902 1.00 0.00 N ATOM 1390 CD2 HIS A 93 12.213 0.351 5.878 1.00 0.00 C ATOM 1391 CE1 HIS A 93 14.056 -0.667 6.490 1.00 0.00 C ATOM 1392 NE2 HIS A 93 13.435 0.499 6.487 1.00 0.00 N ATOM 0 H HIS A 93 12.265 -3.137 3.276 1.00 0.00 H new ATOM 0 HA HIS A 93 9.970 -1.542 2.926 1.00 0.00 H new ATOM 0 HB2 HIS A 93 10.043 -1.345 5.212 1.00 0.00 H new ATOM 0 HB3 HIS A 93 11.085 -2.740 5.019 1.00 0.00 H new ATOM 0 HD2 HIS A 93 11.476 1.125 5.725 1.00 0.00 H new ATOM 0 HE1 HIS A 93 15.035 -0.860 6.903 1.00 0.00 H new ATOM 0 HE2 HIS A 93 13.803 1.368 6.874 1.00 0.00 H new ATOM 1401 N GLN A 94 12.850 0.071 3.026 1.00 0.00 N ATOM 1402 CA GLN A 94 13.488 1.348 2.729 1.00 0.00 C ATOM 1403 C GLN A 94 13.030 1.883 1.376 1.00 0.00 C ATOM 1404 O GLN A 94 12.368 2.918 1.301 1.00 0.00 O ATOM 1405 CB GLN A 94 15.010 1.196 2.742 1.00 0.00 C ATOM 1406 CG GLN A 94 15.549 0.583 4.024 1.00 0.00 C ATOM 1407 CD GLN A 94 17.059 0.680 4.127 1.00 0.00 C ATOM 1408 OE1 GLN A 94 17.727 1.144 3.203 1.00 0.00 O ATOM 1409 NE2 GLN A 94 17.605 0.240 5.255 1.00 0.00 N ATOM 0 H GLN A 94 13.496 -0.673 3.289 1.00 0.00 H new ATOM 0 HA GLN A 94 13.194 2.061 3.499 1.00 0.00 H new ATOM 0 HB2 GLN A 94 15.312 0.576 1.898 1.00 0.00 H new ATOM 0 HB3 GLN A 94 15.466 2.176 2.598 1.00 0.00 H new ATOM 0 HG2 GLN A 94 15.097 1.084 4.880 1.00 0.00 H new ATOM 0 HG3 GLN A 94 15.252 -0.464 4.075 1.00 0.00 H new ATOM 0 HE21 GLN A 94 17.013 -0.137 5.995 1.00 0.00 H new ATOM 0 HE22 GLN A 94 18.616 0.279 5.381 1.00 0.00 H new ATOM 1418 N GLN A 95 13.387 1.172 0.312 1.00 0.00 N ATOM 1419 CA GLN A 95 13.014 1.578 -1.038 1.00 0.00 C ATOM 1420 C GLN A 95 11.553 2.015 -1.090 1.00 0.00 C ATOM 1421 O GLN A 95 11.224 3.045 -1.676 1.00 0.00 O ATOM 1422 CB GLN A 95 13.251 0.431 -2.022 1.00 0.00 C ATOM 1423 CG GLN A 95 14.645 0.427 -2.627 1.00 0.00 C ATOM 1424 CD GLN A 95 14.748 1.300 -3.862 1.00 0.00 C ATOM 1425 OE1 GLN A 95 14.628 0.818 -4.989 1.00 0.00 O ATOM 1426 NE2 GLN A 95 14.972 2.593 -3.656 1.00 0.00 N ATOM 0 H GLN A 95 13.934 0.312 0.358 1.00 0.00 H new ATOM 0 HA GLN A 95 13.638 2.425 -1.322 1.00 0.00 H new ATOM 0 HB2 GLN A 95 13.084 -0.516 -1.510 1.00 0.00 H new ATOM 0 HB3 GLN A 95 12.516 0.494 -2.824 1.00 0.00 H new ATOM 0 HG2 GLN A 95 15.361 0.773 -1.882 1.00 0.00 H new ATOM 0 HG3 GLN A 95 14.922 -0.595 -2.885 1.00 0.00 H new ATOM 0 HE21 GLN A 95 15.065 2.949 -2.705 1.00 0.00 H new ATOM 0 HE22 GLN A 95 15.051 3.230 -4.449 1.00 0.00 H new ATOM 1435 N ALA A 96 10.682 1.223 -0.474 1.00 0.00 N ATOM 1436 CA ALA A 96 9.257 1.529 -0.449 1.00 0.00 C ATOM 1437 C ALA A 96 9.012 2.966 -0.001 1.00 0.00 C ATOM 1438 O ALA A 96 8.171 3.667 -0.565 1.00 0.00 O ATOM 1439 CB ALA A 96 8.524 0.557 0.465 1.00 0.00 C ATOM 0 H ALA A 96 10.938 0.365 0.014 1.00 0.00 H new ATOM 0 HA ALA A 96 8.870 1.421 -1.462 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.461 0.797 0.474 1.00 0.00 H new ATOM 0 HB2 ALA A 96 8.663 -0.461 0.100 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.923 0.637 1.476 1.00 0.00 H new ATOM 1445 N ILE A 97 9.750 3.398 1.016 1.00 0.00 N ATOM 1446 CA ILE A 97 9.612 4.752 1.539 1.00 0.00 C ATOM 1447 C ILE A 97 10.040 5.787 0.504 1.00 0.00 C ATOM 1448 O ILE A 97 9.370 6.801 0.312 1.00 0.00 O ATOM 1449 CB ILE A 97 10.444 4.948 2.820 1.00 0.00 C ATOM 1450 CG1 ILE A 97 10.166 3.819 3.814 1.00 0.00 C ATOM 1451 CG2 ILE A 97 10.140 6.300 3.447 1.00 0.00 C ATOM 1452 CD1 ILE A 97 11.049 3.862 5.041 1.00 0.00 C ATOM 0 H ILE A 97 10.450 2.830 1.494 1.00 0.00 H new ATOM 0 HA ILE A 97 8.557 4.893 1.776 1.00 0.00 H new ATOM 0 HB ILE A 97 11.501 4.921 2.556 1.00 0.00 H new ATOM 0 HG12 ILE A 97 9.123 3.869 4.125 1.00 0.00 H new ATOM 0 HG13 ILE A 97 10.303 2.862 3.311 1.00 0.00 H new ATOM 0 HG21 ILE A 97 10.736 6.424 4.351 1.00 0.00 H new ATOM 0 HG22 ILE A 97 10.385 7.092 2.740 1.00 0.00 H new ATOM 0 HG23 ILE A 97 9.081 6.354 3.700 1.00 0.00 H new ATOM 0 HD11 ILE A 97 10.796 3.032 5.701 1.00 0.00 H new ATOM 0 HD12 ILE A 97 12.094 3.781 4.741 1.00 0.00 H new ATOM 0 HD13 ILE A 97 10.895 4.804 5.567 1.00 0.00 H new ATOM 1464 N ALA A 98 11.159 5.522 -0.161 1.00 0.00 N ATOM 1465 CA ALA A 98 11.675 6.428 -1.180 1.00 0.00 C ATOM 1466 C ALA A 98 10.622 6.714 -2.245 1.00 0.00 C ATOM 1467 O ALA A 98 10.285 7.870 -2.506 1.00 0.00 O ATOM 1468 CB ALA A 98 12.929 5.848 -1.817 1.00 0.00 C ATOM 0 H ALA A 98 11.726 4.687 -0.013 1.00 0.00 H new ATOM 0 HA ALA A 98 11.930 7.371 -0.696 1.00 0.00 H new ATOM 0 HB1 ALA A 98 13.303 6.535 -2.576 1.00 0.00 H new ATOM 0 HB2 ALA A 98 13.692 5.702 -1.052 1.00 0.00 H new ATOM 0 HB3 ALA A 98 12.692 4.890 -2.280 1.00 0.00 H new ATOM 1474 N LEU A 99 10.104 5.655 -2.857 1.00 0.00 N ATOM 1475 CA LEU A 99 9.088 5.792 -3.896 1.00 0.00 C ATOM 1476 C LEU A 99 8.030 6.813 -3.490 1.00 0.00 C ATOM 1477 O LEU A 99 7.670 7.694 -4.272 1.00 0.00 O ATOM 1478 CB LEU A 99 8.429 4.440 -4.173 1.00 0.00 C ATOM 1479 CG LEU A 99 9.379 3.258 -4.371 1.00 0.00 C ATOM 1480 CD1 LEU A 99 8.609 2.022 -4.810 1.00 0.00 C ATOM 1481 CD2 LEU A 99 10.458 3.605 -5.387 1.00 0.00 C ATOM 0 H LEU A 99 10.370 4.692 -2.652 1.00 0.00 H new ATOM 0 HA LEU A 99 9.577 6.144 -4.805 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.760 4.208 -3.344 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.810 4.536 -5.065 1.00 0.00 H new ATOM 0 HG LEU A 99 9.862 3.041 -3.418 1.00 0.00 H new ATOM 0 HD11 LEU A 99 9.301 1.191 -4.946 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.874 1.761 -4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 99 8.099 2.227 -5.751 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.125 2.752 -5.515 1.00 0.00 H new ATOM 0 HD22 LEU A 99 9.993 3.849 -6.342 1.00 0.00 H new ATOM 0 HD23 LEU A 99 11.030 4.463 -5.032 1.00 0.00 H new ATOM 1493 N LEU A 100 7.536 6.690 -2.263 1.00 0.00 N ATOM 1494 CA LEU A 100 6.520 7.604 -1.752 1.00 0.00 C ATOM 1495 C LEU A 100 7.099 8.999 -1.543 1.00 0.00 C ATOM 1496 O LEU A 100 6.583 9.981 -2.078 1.00 0.00 O ATOM 1497 CB LEU A 100 5.946 7.075 -0.437 1.00 0.00 C ATOM 1498 CG LEU A 100 5.368 5.660 -0.477 1.00 0.00 C ATOM 1499 CD1 LEU A 100 5.402 5.030 0.907 1.00 0.00 C ATOM 1500 CD2 LEU A 100 3.947 5.679 -1.022 1.00 0.00 C ATOM 0 H LEU A 100 7.822 5.967 -1.603 1.00 0.00 H new ATOM 0 HA LEU A 100 5.720 7.670 -2.490 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.733 7.103 0.317 1.00 0.00 H new ATOM 0 HB3 LEU A 100 5.163 7.757 -0.106 1.00 0.00 H new ATOM 0 HG LEU A 100 5.983 5.056 -1.144 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.987 4.023 0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.432 4.981 1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.811 5.634 1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.552 4.663 -1.043 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.320 6.299 -0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.950 6.088 -2.032 1.00 0.00 H new ATOM 1512 N GLN A 101 8.172 9.079 -0.764 1.00 0.00 N ATOM 1513 CA GLN A 101 8.821 10.355 -0.486 1.00 0.00 C ATOM 1514 C GLN A 101 9.294 11.017 -1.776 1.00 0.00 C ATOM 1515 O GLN A 101 9.635 12.200 -1.788 1.00 0.00 O ATOM 1516 CB GLN A 101 10.006 10.153 0.461 1.00 0.00 C ATOM 1517 CG GLN A 101 9.610 9.604 1.822 1.00 0.00 C ATOM 1518 CD GLN A 101 10.582 10.000 2.916 1.00 0.00 C ATOM 1519 OE1 GLN A 101 10.283 10.857 3.747 1.00 0.00 O ATOM 1520 NE2 GLN A 101 11.754 9.375 2.921 1.00 0.00 N ATOM 0 H GLN A 101 8.611 8.276 -0.314 1.00 0.00 H new ATOM 0 HA GLN A 101 8.091 11.009 -0.009 1.00 0.00 H new ATOM 0 HB2 GLN A 101 10.719 9.472 -0.003 1.00 0.00 H new ATOM 0 HB3 GLN A 101 10.518 11.106 0.598 1.00 0.00 H new ATOM 0 HG2 GLN A 101 8.614 9.964 2.079 1.00 0.00 H new ATOM 0 HG3 GLN A 101 9.552 8.517 1.768 1.00 0.00 H new ATOM 0 HE21 GLN A 101 11.959 8.671 2.212 1.00 0.00 H new ATOM 0 HE22 GLN A 101 12.449 9.599 3.634 1.00 0.00 H new ATOM 1529 N GLN A 102 9.311 10.247 -2.859 1.00 0.00 N ATOM 1530 CA GLN A 102 9.742 10.761 -4.154 1.00 0.00 C ATOM 1531 C GLN A 102 8.661 10.555 -5.210 1.00 0.00 C ATOM 1532 O GLN A 102 8.844 9.798 -6.163 1.00 0.00 O ATOM 1533 CB GLN A 102 11.037 10.074 -4.593 1.00 0.00 C ATOM 1534 CG GLN A 102 12.153 10.168 -3.566 1.00 0.00 C ATOM 1535 CD GLN A 102 13.523 9.926 -4.169 1.00 0.00 C ATOM 1536 OE1 GLN A 102 14.423 10.758 -4.048 1.00 0.00 O ATOM 1537 NE2 GLN A 102 13.689 8.783 -4.824 1.00 0.00 N ATOM 0 H GLN A 102 9.032 9.266 -2.866 1.00 0.00 H new ATOM 0 HA GLN A 102 9.923 11.831 -4.050 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.830 9.024 -4.797 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.376 10.520 -5.528 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.133 11.155 -3.103 1.00 0.00 H new ATOM 0 HG3 GLN A 102 11.975 9.440 -2.774 1.00 0.00 H new ATOM 0 HE21 GLN A 102 12.916 8.122 -4.900 1.00 0.00 H new ATOM 0 HE22 GLN A 102 14.590 8.566 -5.251 1.00 0.00 H new ATOM 1546 N THR A 103 7.531 11.234 -5.033 1.00 0.00 N ATOM 1547 CA THR A 103 6.419 11.124 -5.968 1.00 0.00 C ATOM 1548 C THR A 103 5.903 12.501 -6.373 1.00 0.00 C ATOM 1549 O THR A 103 5.950 13.448 -5.587 1.00 0.00 O ATOM 1550 CB THR A 103 5.258 10.309 -5.368 1.00 0.00 C ATOM 1551 OG1 THR A 103 5.772 9.199 -4.624 1.00 0.00 O ATOM 1552 CG2 THR A 103 4.328 9.806 -6.462 1.00 0.00 C ATOM 0 H THR A 103 7.363 11.866 -4.250 1.00 0.00 H new ATOM 0 HA THR A 103 6.798 10.607 -6.850 1.00 0.00 H new ATOM 0 HB THR A 103 4.691 10.961 -4.703 1.00 0.00 H new ATOM 0 HG1 THR A 103 6.590 8.870 -5.051 1.00 0.00 H new ATOM 0 HG21 THR A 103 3.516 9.233 -6.014 1.00 0.00 H new ATOM 0 HG22 THR A 103 3.916 10.655 -7.008 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.885 9.169 -7.149 1.00 0.00 H new ATOM 1560 N THR A 104 5.411 12.605 -7.603 1.00 0.00 N ATOM 1561 CA THR A 104 4.886 13.866 -8.112 1.00 0.00 C ATOM 1562 C THR A 104 3.683 13.635 -9.019 1.00 0.00 C ATOM 1563 O THR A 104 3.431 12.514 -9.459 1.00 0.00 O ATOM 1564 CB THR A 104 5.961 14.648 -8.891 1.00 0.00 C ATOM 1565 OG1 THR A 104 6.866 13.737 -9.525 1.00 0.00 O ATOM 1566 CG2 THR A 104 6.732 15.576 -7.966 1.00 0.00 C ATOM 0 H THR A 104 5.365 11.831 -8.266 1.00 0.00 H new ATOM 0 HA THR A 104 4.577 14.452 -7.247 1.00 0.00 H new ATOM 0 HB THR A 104 5.462 15.251 -9.650 1.00 0.00 H new ATOM 0 HG1 THR A 104 7.545 14.242 -10.019 1.00 0.00 H new ATOM 0 HG21 THR A 104 7.485 16.117 -8.539 1.00 0.00 H new ATOM 0 HG22 THR A 104 6.044 16.287 -7.508 1.00 0.00 H new ATOM 0 HG23 THR A 104 7.220 14.990 -7.187 1.00 0.00 H new ATOM 1574 N GLY A 105 2.943 14.704 -9.297 1.00 0.00 N ATOM 1575 CA GLY A 105 1.776 14.596 -10.152 1.00 0.00 C ATOM 1576 C GLY A 105 0.684 13.742 -9.538 1.00 0.00 C ATOM 1577 O GLY A 105 -0.247 14.261 -8.922 1.00 0.00 O ATOM 0 H GLY A 105 3.131 15.643 -8.945 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.383 15.593 -10.353 1.00 0.00 H new ATOM 0 HA3 GLY A 105 2.070 14.170 -11.111 1.00 0.00 H new ATOM 1581 N SER A 106 0.797 12.429 -9.706 1.00 0.00 N ATOM 1582 CA SER A 106 -0.191 11.501 -9.168 1.00 0.00 C ATOM 1583 C SER A 106 0.488 10.363 -8.412 1.00 0.00 C ATOM 1584 O SER A 106 1.480 9.798 -8.876 1.00 0.00 O ATOM 1585 CB SER A 106 -1.057 10.935 -10.295 1.00 0.00 C ATOM 1586 OG SER A 106 -0.256 10.367 -11.318 1.00 0.00 O ATOM 0 H SER A 106 1.563 11.983 -10.211 1.00 0.00 H new ATOM 0 HA SER A 106 -0.826 12.048 -8.472 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.731 10.178 -9.895 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.679 11.727 -10.713 1.00 0.00 H new ATOM 0 HG SER A 106 -0.833 10.011 -12.026 1.00 0.00 H new ATOM 1592 N LEU A 107 -0.054 10.031 -7.246 1.00 0.00 N ATOM 1593 CA LEU A 107 0.498 8.959 -6.423 1.00 0.00 C ATOM 1594 C LEU A 107 -0.461 7.775 -6.357 1.00 0.00 C ATOM 1595 O LEU A 107 -1.441 7.797 -5.613 1.00 0.00 O ATOM 1596 CB LEU A 107 0.791 9.472 -5.012 1.00 0.00 C ATOM 1597 CG LEU A 107 1.168 8.412 -3.978 1.00 0.00 C ATOM 1598 CD1 LEU A 107 2.461 7.715 -4.374 1.00 0.00 C ATOM 1599 CD2 LEU A 107 1.299 9.037 -2.596 1.00 0.00 C ATOM 0 H LEU A 107 -0.875 10.488 -6.848 1.00 0.00 H new ATOM 0 HA LEU A 107 1.428 8.624 -6.882 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.602 10.197 -5.072 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -0.088 10.006 -4.651 1.00 0.00 H new ATOM 0 HG LEU A 107 0.373 7.667 -3.944 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.713 6.964 -3.626 1.00 0.00 H new ATOM 0 HD12 LEU A 107 2.332 7.233 -5.343 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.265 8.448 -4.437 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.568 8.267 -1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.074 9.803 -2.615 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.349 9.488 -2.309 1.00 0.00 H new ATOM 1611 N ARG A 108 -0.170 6.740 -7.140 1.00 0.00 N ATOM 1612 CA ARG A 108 -1.005 5.546 -7.169 1.00 0.00 C ATOM 1613 C ARG A 108 -0.496 4.502 -6.180 1.00 0.00 C ATOM 1614 O ARG A 108 0.674 4.120 -6.211 1.00 0.00 O ATOM 1615 CB ARG A 108 -1.036 4.954 -8.580 1.00 0.00 C ATOM 1616 CG ARG A 108 -2.333 4.233 -8.909 1.00 0.00 C ATOM 1617 CD ARG A 108 -2.107 3.109 -9.908 1.00 0.00 C ATOM 1618 NE ARG A 108 -2.275 3.560 -11.287 1.00 0.00 N ATOM 1619 CZ ARG A 108 -1.304 4.116 -12.002 1.00 0.00 C ATOM 1620 NH1 ARG A 108 -0.101 4.288 -11.472 1.00 0.00 N ATOM 1621 NH2 ARG A 108 -1.535 4.501 -13.251 1.00 0.00 N ATOM 0 H ARG A 108 0.638 6.705 -7.762 1.00 0.00 H new ATOM 0 HA ARG A 108 -2.016 5.833 -6.880 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -0.881 5.754 -9.304 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -0.205 4.258 -8.691 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -2.767 3.827 -7.995 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -3.053 4.944 -9.316 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -1.103 2.705 -9.778 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -2.805 2.297 -9.704 1.00 0.00 H new ATOM 0 HE ARG A 108 -3.189 3.441 -11.725 1.00 0.00 H new ATOM 0 HH11 ARG A 108 0.081 3.993 -10.513 1.00 0.00 H new ATOM 0 HH12 ARG A 108 0.643 4.715 -12.024 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -2.459 4.370 -13.662 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -0.788 4.928 -13.799 1.00 0.00 H new ATOM 1635 N LEU A 109 -1.383 4.045 -5.302 1.00 0.00 N ATOM 1636 CA LEU A 109 -1.024 3.045 -4.302 1.00 0.00 C ATOM 1637 C LEU A 109 -2.049 1.916 -4.269 1.00 0.00 C ATOM 1638 O LEU A 109 -3.256 2.161 -4.249 1.00 0.00 O ATOM 1639 CB LEU A 109 -0.917 3.693 -2.920 1.00 0.00 C ATOM 1640 CG LEU A 109 -0.023 4.931 -2.827 1.00 0.00 C ATOM 1641 CD1 LEU A 109 0.051 5.428 -1.391 1.00 0.00 C ATOM 1642 CD2 LEU A 109 1.369 4.625 -3.360 1.00 0.00 C ATOM 0 H LEU A 109 -2.355 4.351 -5.262 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.056 2.624 -4.575 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.919 3.967 -2.591 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.544 2.947 -2.219 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.460 5.719 -3.441 1.00 0.00 H new ATOM 0 HD11 LEU A 109 0.691 6.309 -1.343 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.949 5.687 -1.044 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.464 4.645 -0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.991 5.517 -3.286 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.815 3.822 -2.773 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.300 4.317 -4.403 1.00 0.00 H new ATOM 1654 N ILE A 110 -1.560 0.681 -4.261 1.00 0.00 N ATOM 1655 CA ILE A 110 -2.434 -0.486 -4.226 1.00 0.00 C ATOM 1656 C ILE A 110 -2.355 -1.192 -2.877 1.00 0.00 C ATOM 1657 O ILE A 110 -1.418 -1.946 -2.613 1.00 0.00 O ATOM 1658 CB ILE A 110 -2.078 -1.488 -5.340 1.00 0.00 C ATOM 1659 CG1 ILE A 110 -2.223 -0.831 -6.713 1.00 0.00 C ATOM 1660 CG2 ILE A 110 -2.962 -2.723 -5.242 1.00 0.00 C ATOM 1661 CD1 ILE A 110 -1.624 -1.645 -7.839 1.00 0.00 C ATOM 0 H ILE A 110 -0.564 0.462 -4.278 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.450 -0.125 -4.384 1.00 0.00 H new ATOM 0 HB ILE A 110 -1.040 -1.796 -5.214 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -3.281 -0.666 -6.918 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.746 0.149 -6.690 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -2.699 -3.422 -6.036 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -2.814 -3.201 -4.274 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.007 -2.432 -5.347 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.764 -1.118 -8.783 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -0.559 -1.788 -7.658 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -2.118 -2.616 -7.889 1.00 0.00 H new ATOM 1673 N VAL A 111 -3.346 -0.944 -2.026 1.00 0.00 N ATOM 1674 CA VAL A 111 -3.390 -1.558 -0.705 1.00 0.00 C ATOM 1675 C VAL A 111 -4.430 -2.672 -0.652 1.00 0.00 C ATOM 1676 O VAL A 111 -5.368 -2.698 -1.447 1.00 0.00 O ATOM 1677 CB VAL A 111 -3.711 -0.520 0.387 1.00 0.00 C ATOM 1678 CG1 VAL A 111 -2.689 0.607 0.369 1.00 0.00 C ATOM 1679 CG2 VAL A 111 -5.120 0.025 0.206 1.00 0.00 C ATOM 0 H VAL A 111 -4.129 -0.322 -2.228 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.401 -1.977 -0.518 1.00 0.00 H new ATOM 0 HB VAL A 111 -3.658 -1.012 1.358 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -2.932 1.331 1.147 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.695 0.199 0.550 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.708 1.099 -0.603 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -5.330 0.757 0.986 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -5.203 0.502 -0.771 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.838 -0.793 0.273 1.00 0.00 H new ATOM 1689 N ALA A 112 -4.256 -3.592 0.292 1.00 0.00 N ATOM 1690 CA ALA A 112 -5.180 -4.707 0.451 1.00 0.00 C ATOM 1691 C ALA A 112 -6.074 -4.510 1.670 1.00 0.00 C ATOM 1692 O ALA A 112 -5.778 -3.694 2.543 1.00 0.00 O ATOM 1693 CB ALA A 112 -4.413 -6.017 0.563 1.00 0.00 C ATOM 0 H ALA A 112 -3.483 -3.586 0.958 1.00 0.00 H new ATOM 0 HA ALA A 112 -5.818 -4.746 -0.432 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -5.116 -6.841 0.681 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -3.822 -6.171 -0.340 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.751 -5.978 1.428 1.00 0.00 H new ATOM 1699 N ARG A 113 -7.169 -5.262 1.724 1.00 0.00 N ATOM 1700 CA ARG A 113 -8.107 -5.167 2.836 1.00 0.00 C ATOM 1701 C ARG A 113 -8.664 -6.542 3.195 1.00 0.00 C ATOM 1702 O ARG A 113 -9.019 -7.327 2.317 1.00 0.00 O ATOM 1703 CB ARG A 113 -9.253 -4.217 2.484 1.00 0.00 C ATOM 1704 CG ARG A 113 -8.801 -2.959 1.761 1.00 0.00 C ATOM 1705 CD ARG A 113 -9.736 -1.792 2.037 1.00 0.00 C ATOM 1706 NE ARG A 113 -10.819 -1.715 1.060 1.00 0.00 N ATOM 1707 CZ ARG A 113 -11.615 -0.660 0.927 1.00 0.00 C ATOM 1708 NH1 ARG A 113 -11.450 0.402 1.703 1.00 0.00 N ATOM 1709 NH2 ARG A 113 -12.579 -0.666 0.014 1.00 0.00 N ATOM 0 H ARG A 113 -7.428 -5.944 1.011 1.00 0.00 H new ATOM 0 HA ARG A 113 -7.570 -4.774 3.700 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -9.973 -4.746 1.860 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -9.772 -3.933 3.399 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -7.790 -2.700 2.077 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -8.761 -3.149 0.688 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -10.157 -1.894 3.037 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -9.168 -0.862 2.023 1.00 0.00 H new ATOM 0 HE ARG A 113 -10.972 -2.515 0.446 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -10.710 0.411 2.405 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -12.063 1.210 1.598 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -12.709 -1.481 -0.586 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -13.190 0.144 -0.088 1.00 0.00 H new ATOM 1723 N GLU A 114 -8.737 -6.824 4.492 1.00 0.00 N ATOM 1724 CA GLU A 114 -9.249 -8.105 4.967 1.00 0.00 C ATOM 1725 C GLU A 114 -10.658 -8.356 4.439 1.00 0.00 C ATOM 1726 O GLU A 114 -11.542 -7.503 4.526 1.00 0.00 O ATOM 1727 CB GLU A 114 -9.250 -8.143 6.497 1.00 0.00 C ATOM 1728 CG GLU A 114 -9.188 -9.549 7.070 1.00 0.00 C ATOM 1729 CD GLU A 114 -7.796 -10.144 7.005 1.00 0.00 C ATOM 1730 OE1 GLU A 114 -7.039 -9.785 6.079 1.00 0.00 O ATOM 1731 OE2 GLU A 114 -7.463 -10.970 7.881 1.00 0.00 O ATOM 0 H GLU A 114 -8.449 -6.184 5.232 1.00 0.00 H new ATOM 0 HA GLU A 114 -8.594 -8.892 4.592 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -8.399 -7.571 6.867 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -10.150 -7.649 6.864 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -9.523 -9.530 8.107 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -9.879 -10.191 6.524 1.00 0.00 H new ATOM 1738 N PRO A 115 -10.875 -9.555 3.878 1.00 0.00 N ATOM 1739 CA PRO A 115 -12.175 -9.947 3.326 1.00 0.00 C ATOM 1740 C PRO A 115 -13.227 -10.155 4.410 1.00 0.00 C ATOM 1741 O PRO A 115 -12.940 -10.026 5.600 1.00 0.00 O ATOM 1742 CB PRO A 115 -11.873 -11.268 2.613 1.00 0.00 C ATOM 1743 CG PRO A 115 -10.678 -11.813 3.315 1.00 0.00 C ATOM 1744 CD PRO A 115 -9.868 -10.620 3.741 1.00 0.00 C ATOM 0 HA PRO A 115 -12.589 -9.179 2.673 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -12.717 -11.955 2.677 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -11.671 -11.109 1.554 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -10.971 -12.413 4.176 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -10.101 -12.462 2.656 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -9.347 -10.803 4.680 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -9.110 -10.364 3.001 1.00 0.00 H new ATOM 1752 N VAL A 116 -14.446 -10.479 3.990 1.00 0.00 N ATOM 1753 CA VAL A 116 -15.541 -10.707 4.926 1.00 0.00 C ATOM 1754 C VAL A 116 -15.550 -12.149 5.421 1.00 0.00 C ATOM 1755 O VAL A 116 -16.602 -12.695 5.755 1.00 0.00 O ATOM 1756 CB VAL A 116 -16.904 -10.387 4.283 1.00 0.00 C ATOM 1757 CG1 VAL A 116 -17.196 -11.351 3.143 1.00 0.00 C ATOM 1758 CG2 VAL A 116 -18.009 -10.434 5.328 1.00 0.00 C ATOM 0 H VAL A 116 -14.700 -10.589 3.008 1.00 0.00 H new ATOM 0 HA VAL A 116 -15.380 -10.038 5.771 1.00 0.00 H new ATOM 0 HB VAL A 116 -16.865 -9.378 3.873 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -18.163 -11.110 2.701 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -16.418 -11.264 2.384 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -17.217 -12.371 3.526 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -18.965 -10.206 4.857 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -18.050 -11.430 5.769 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -17.804 -9.700 6.107 1.00 0.00 H new ATOM 1768 N HIS A 117 -14.371 -12.761 5.465 1.00 0.00 N ATOM 1769 CA HIS A 117 -14.242 -14.141 5.920 1.00 0.00 C ATOM 1770 C HIS A 117 -14.387 -14.228 7.436 1.00 0.00 C ATOM 1771 O HIS A 117 -14.347 -13.214 8.135 1.00 0.00 O ATOM 1772 CB HIS A 117 -12.893 -14.718 5.491 1.00 0.00 C ATOM 1773 CG HIS A 117 -12.918 -16.200 5.273 1.00 0.00 C ATOM 1774 ND1 HIS A 117 -12.187 -17.085 6.037 1.00 0.00 N ATOM 1775 CD2 HIS A 117 -13.593 -16.951 4.372 1.00 0.00 C ATOM 1776 CE1 HIS A 117 -12.409 -18.316 5.614 1.00 0.00 C ATOM 1777 NE2 HIS A 117 -13.259 -18.263 4.604 1.00 0.00 N ATOM 0 H HIS A 117 -13.491 -12.323 5.191 1.00 0.00 H new ATOM 0 HA HIS A 117 -15.040 -14.725 5.462 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -12.574 -14.229 4.571 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -12.148 -14.483 6.251 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -14.268 -16.587 3.612 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -11.970 -19.214 6.024 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -13.610 -19.066 4.082 1.00 0.00 H new ATOM 1786 N THR A 118 -14.558 -15.446 7.941 1.00 0.00 N ATOM 1787 CA THR A 118 -14.711 -15.666 9.373 1.00 0.00 C ATOM 1788 C THR A 118 -13.495 -15.159 10.140 1.00 0.00 C ATOM 1789 O THR A 118 -12.363 -15.258 9.666 1.00 0.00 O ATOM 1790 CB THR A 118 -14.920 -17.158 9.694 1.00 0.00 C ATOM 1791 OG1 THR A 118 -15.396 -17.309 11.036 1.00 0.00 O ATOM 1792 CG2 THR A 118 -13.625 -17.936 9.519 1.00 0.00 C ATOM 0 H THR A 118 -14.594 -16.296 7.378 1.00 0.00 H new ATOM 0 HA THR A 118 -15.594 -15.108 9.685 1.00 0.00 H new ATOM 0 HB THR A 118 -15.660 -17.556 9.000 1.00 0.00 H new ATOM 0 HG1 THR A 118 -15.528 -18.260 11.231 1.00 0.00 H new ATOM 0 HG21 THR A 118 -13.798 -18.987 9.751 1.00 0.00 H new ATOM 0 HG22 THR A 118 -13.282 -17.844 8.489 1.00 0.00 H new ATOM 0 HG23 THR A 118 -12.866 -17.536 10.191 1.00 0.00 H new ATOM 1800 N LYS A 119 -13.735 -14.617 11.329 1.00 0.00 N ATOM 1801 CA LYS A 119 -12.659 -14.096 12.165 1.00 0.00 C ATOM 1802 C LYS A 119 -12.575 -14.859 13.483 1.00 0.00 C ATOM 1803 O LYS A 119 -13.591 -15.294 14.025 1.00 0.00 O ATOM 1804 CB LYS A 119 -12.875 -12.606 12.439 1.00 0.00 C ATOM 1805 CG LYS A 119 -14.075 -12.318 13.324 1.00 0.00 C ATOM 1806 CD LYS A 119 -14.255 -10.826 13.552 1.00 0.00 C ATOM 1807 CE LYS A 119 -14.905 -10.154 12.353 1.00 0.00 C ATOM 1808 NZ LYS A 119 -13.920 -9.873 11.272 1.00 0.00 N ATOM 0 H LYS A 119 -14.666 -14.527 11.736 1.00 0.00 H new ATOM 0 HA LYS A 119 -11.719 -14.229 11.629 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -11.981 -12.198 12.910 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -13.001 -12.085 11.490 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -14.974 -12.728 12.864 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -13.950 -12.821 14.283 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -14.868 -10.664 14.438 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -13.286 -10.367 13.747 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -15.698 -10.793 11.964 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -15.373 -9.222 12.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -14.066 -8.908 10.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -12.955 -9.959 11.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -14.050 -10.555 10.498 1.00 0.00 H new ATOM 1822 N SER A 120 -11.358 -15.017 13.993 1.00 0.00 N ATOM 1823 CA SER A 120 -11.142 -15.730 15.247 1.00 0.00 C ATOM 1824 C SER A 120 -10.505 -14.816 16.289 1.00 0.00 C ATOM 1825 O SER A 120 -10.938 -14.772 17.440 1.00 0.00 O ATOM 1826 CB SER A 120 -10.254 -16.954 15.015 1.00 0.00 C ATOM 1827 OG SER A 120 -10.382 -17.885 16.077 1.00 0.00 O ATOM 0 H SER A 120 -10.507 -14.661 13.558 1.00 0.00 H new ATOM 0 HA SER A 120 -12.112 -16.058 15.621 1.00 0.00 H new ATOM 0 HB2 SER A 120 -10.526 -17.432 14.074 1.00 0.00 H new ATOM 0 HB3 SER A 120 -9.214 -16.641 14.925 1.00 0.00 H new ATOM 0 HG SER A 120 -9.806 -18.659 15.905 1.00 0.00 H new ATOM 1833 N SER A 121 -9.473 -14.086 15.875 1.00 0.00 N ATOM 1834 CA SER A 121 -8.773 -13.175 16.773 1.00 0.00 C ATOM 1835 C SER A 121 -8.329 -13.897 18.042 1.00 0.00 C ATOM 1836 O SER A 121 -8.212 -13.290 19.107 1.00 0.00 O ATOM 1837 CB SER A 121 -9.671 -11.990 17.134 1.00 0.00 C ATOM 1838 OG SER A 121 -9.521 -10.934 16.201 1.00 0.00 O ATOM 0 H SER A 121 -9.104 -14.108 14.924 1.00 0.00 H new ATOM 0 HA SER A 121 -7.887 -12.806 16.257 1.00 0.00 H new ATOM 0 HB2 SER A 121 -10.712 -12.313 17.159 1.00 0.00 H new ATOM 0 HB3 SER A 121 -9.424 -11.634 18.134 1.00 0.00 H new ATOM 0 HG SER A 121 -10.106 -10.189 16.453 1.00 0.00 H new ATOM 1844 N THR A 122 -8.083 -15.197 17.920 1.00 0.00 N ATOM 1845 CA THR A 122 -7.653 -16.003 19.056 1.00 0.00 C ATOM 1846 C THR A 122 -6.151 -16.258 19.012 1.00 0.00 C ATOM 1847 O THR A 122 -5.587 -16.524 17.950 1.00 0.00 O ATOM 1848 CB THR A 122 -8.391 -17.355 19.096 1.00 0.00 C ATOM 1849 OG1 THR A 122 -9.805 -17.144 19.016 1.00 0.00 O ATOM 1850 CG2 THR A 122 -8.058 -18.115 20.372 1.00 0.00 C ATOM 0 H THR A 122 -8.174 -15.715 17.046 1.00 0.00 H new ATOM 0 HA THR A 122 -7.896 -15.437 19.955 1.00 0.00 H new ATOM 0 HB THR A 122 -8.064 -17.948 18.242 1.00 0.00 H new ATOM 0 HG1 THR A 122 -10.118 -17.364 18.114 1.00 0.00 H new ATOM 0 HG21 THR A 122 -8.590 -19.066 20.378 1.00 0.00 H new ATOM 0 HG22 THR A 122 -6.985 -18.299 20.416 1.00 0.00 H new ATOM 0 HG23 THR A 122 -8.360 -17.524 21.237 1.00 0.00 H new ATOM 1858 N SER A 123 -5.507 -16.177 20.172 1.00 0.00 N ATOM 1859 CA SER A 123 -4.069 -16.396 20.265 1.00 0.00 C ATOM 1860 C SER A 123 -3.730 -17.282 21.460 1.00 0.00 C ATOM 1861 O SER A 123 -4.421 -17.262 22.478 1.00 0.00 O ATOM 1862 CB SER A 123 -3.334 -15.059 20.383 1.00 0.00 C ATOM 1863 OG SER A 123 -2.018 -15.153 19.867 1.00 0.00 O ATOM 0 H SER A 123 -5.959 -15.961 21.061 1.00 0.00 H new ATOM 0 HA SER A 123 -3.745 -16.902 19.356 1.00 0.00 H new ATOM 0 HB2 SER A 123 -3.885 -14.289 19.844 1.00 0.00 H new ATOM 0 HB3 SER A 123 -3.297 -14.752 21.428 1.00 0.00 H new ATOM 0 HG SER A 123 -1.570 -14.285 19.953 1.00 0.00 H new ATOM 1869 N GLY A 124 -2.661 -18.061 21.328 1.00 0.00 N ATOM 1870 CA GLY A 124 -2.249 -18.944 22.403 1.00 0.00 C ATOM 1871 C GLY A 124 -0.773 -18.815 22.726 1.00 0.00 C ATOM 1872 O GLY A 124 0.028 -19.703 22.433 1.00 0.00 O ATOM 0 H GLY A 124 -2.073 -18.096 20.495 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -2.834 -18.722 23.296 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -2.468 -19.975 22.126 1.00 0.00 H new ATOM 1876 N PRO A 125 -0.395 -17.686 23.343 1.00 0.00 N ATOM 1877 CA PRO A 125 0.996 -17.416 23.718 1.00 0.00 C ATOM 1878 C PRO A 125 1.474 -18.313 24.855 1.00 0.00 C ATOM 1879 O PRO A 125 0.769 -19.232 25.272 1.00 0.00 O ATOM 1880 CB PRO A 125 0.965 -15.953 24.167 1.00 0.00 C ATOM 1881 CG PRO A 125 -0.440 -15.721 24.605 1.00 0.00 C ATOM 1882 CD PRO A 125 -1.297 -16.585 23.722 1.00 0.00 C ATOM 0 HA PRO A 125 1.685 -17.609 22.896 1.00 0.00 H new ATOM 0 HB2 PRO A 125 1.668 -15.774 24.980 1.00 0.00 H new ATOM 0 HB3 PRO A 125 1.242 -15.283 23.353 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -0.570 -15.985 25.654 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -0.712 -14.670 24.505 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -2.178 -16.951 24.250 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -1.653 -16.039 22.849 1.00 0.00 H new ATOM 1890 N SER A 126 2.676 -18.040 25.353 1.00 0.00 N ATOM 1891 CA SER A 126 3.249 -18.824 26.440 1.00 0.00 C ATOM 1892 C SER A 126 2.651 -18.412 27.781 1.00 0.00 C ATOM 1893 O SER A 126 2.922 -17.323 28.286 1.00 0.00 O ATOM 1894 CB SER A 126 4.769 -18.655 26.472 1.00 0.00 C ATOM 1895 OG SER A 126 5.388 -19.732 27.155 1.00 0.00 O ATOM 0 H SER A 126 3.272 -17.282 25.021 1.00 0.00 H new ATOM 0 HA SER A 126 3.011 -19.873 26.264 1.00 0.00 H new ATOM 0 HB2 SER A 126 5.153 -18.597 25.454 1.00 0.00 H new ATOM 0 HB3 SER A 126 5.023 -17.715 26.962 1.00 0.00 H new ATOM 0 HG SER A 126 6.359 -19.601 27.160 1.00 0.00 H new ATOM 1901 N SER A 127 1.836 -19.292 28.354 1.00 0.00 N ATOM 1902 CA SER A 127 1.196 -19.020 29.635 1.00 0.00 C ATOM 1903 C SER A 127 2.071 -19.492 30.792 1.00 0.00 C ATOM 1904 O SER A 127 2.302 -20.689 30.962 1.00 0.00 O ATOM 1905 CB SER A 127 -0.171 -19.705 29.703 1.00 0.00 C ATOM 1906 OG SER A 127 -0.974 -19.350 28.590 1.00 0.00 O ATOM 0 H SER A 127 1.603 -20.200 27.951 1.00 0.00 H new ATOM 0 HA SER A 127 1.059 -17.942 29.722 1.00 0.00 H new ATOM 0 HB2 SER A 127 -0.039 -20.787 29.730 1.00 0.00 H new ATOM 0 HB3 SER A 127 -0.678 -19.423 30.626 1.00 0.00 H new ATOM 0 HG SER A 127 -1.841 -19.801 28.655 1.00 0.00 H new ATOM 1912 N GLY A 128 2.557 -18.542 31.585 1.00 0.00 N ATOM 1913 CA GLY A 128 3.402 -18.880 32.715 1.00 0.00 C ATOM 1914 C GLY A 128 4.461 -17.828 32.982 1.00 0.00 C ATOM 1915 O GLY A 128 4.602 -17.351 34.108 1.00 0.00 O ATOM 0 H GLY A 128 2.381 -17.545 31.465 1.00 0.00 H new ATOM 0 HA2 GLY A 128 2.783 -19.002 33.604 1.00 0.00 H new ATOM 0 HA3 GLY A 128 3.886 -19.839 32.529 1.00 0.00 H new TER 1919 GLY A 128