USER MOD reduce.3.24.130724 H: found=0, std=0, add=959, rem=0, adj=27 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 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 118 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 83 ASN : amide:sc= -5.8! C(o=-4.8!,f=-9.4!) USER MOD Set 2.2: A 103 THR OG1 : rot 103:sc= 1.02 USER MOD Set 3.1: A 62 GLN : amide:sc= 0.937 K(o=2,f=-1.2) USER MOD Set 3.2: A 65 SER OG : rot 173:sc= 1.08 USER MOD Set 4.1: A 48 SER OG : rot -115:sc= 0.0613 USER MOD Set 4.2: A 50 ASN : amide:sc= 0.0539 X(o=0.12,f=0.0097) USER MOD Single : A 1 GLY N :NH3+ -144:sc= 0.039 (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= -0.739 K(o=-0.74,f=0.05) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.707 K(o=-0.71,f=-3.2!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl 153:sc= 0 (180deg=-0.264) USER MOD Single : A 22 GLN : amide:sc= -0.716 K(o=-0.72,f=-0.19) USER MOD Single : A 25 GLN : amide:sc= 0.0183 K(o=0.018,f=-0.8) 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= -0.0451 K(o=-0.045,f=-0.55) USER MOD Single : A 53 LYS NZ :NH3+ -159:sc= -2.47! (180deg=-2.9!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.654 X(o=-0.65,f=-0.45) USER MOD Single : A 74 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0845) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 GLN : amide:sc= -1.69 K(o=-1.7,f=-7.3!) USER MOD Single : A 84 HIS : no HD1:sc= -0.4 X(o=-0.4,f=-0.4) USER MOD Single : A 85 THR OG1 : rot -11:sc= 0.966 USER MOD Single : A 89 GLN : amide:sc= -5.33! C(o=-5.3!,f=-8.1!) USER MOD Single : A 90 ASN : amide:sc= -0.338 K(o=-0.34,f=1.1) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HD1:sc= -6.18! C(o=-6.2!,f=-5.3!) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 GLN : amide:sc= -0.975 K(o=-0.97,f=-8.2!) USER MOD Single : A 101 GLN : amide:sc= -0.592 X(o=-0.59,f=-0.25) USER MOD Single : A 102 GLN : amide:sc= -2.96! C(o=-3!,f=-3.8!) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 35:sc= 0.0214 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= -0.0283 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : 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 20.760 -7.389 -3.821 1.00 0.00 N ATOM 2 CA GLY A 1 20.543 -8.452 -4.785 1.00 0.00 C ATOM 3 C GLY A 1 20.700 -7.979 -6.216 1.00 0.00 C ATOM 4 O GLY A 1 21.428 -7.024 -6.485 1.00 0.00 O ATOM 0 H1 GLY A 1 21.235 -7.775 -2.980 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.356 -6.651 -4.247 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.845 -6.979 -3.545 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.248 -9.261 -4.594 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.542 -8.863 -4.649 1.00 0.00 H new ATOM 8 N SER A 2 20.017 -8.650 -7.138 1.00 0.00 N ATOM 9 CA SER A 2 20.089 -8.296 -8.551 1.00 0.00 C ATOM 10 C SER A 2 18.904 -7.424 -8.953 1.00 0.00 C ATOM 11 O SER A 2 17.949 -7.267 -8.193 1.00 0.00 O ATOM 12 CB SER A 2 20.124 -9.559 -9.413 1.00 0.00 C ATOM 13 OG SER A 2 18.900 -10.268 -9.329 1.00 0.00 O ATOM 0 H SER A 2 19.408 -9.442 -6.932 1.00 0.00 H new ATOM 0 HA SER A 2 21.006 -7.729 -8.713 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.321 -9.290 -10.451 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.943 -10.201 -9.089 1.00 0.00 H new ATOM 0 HG SER A 2 18.947 -11.070 -9.890 1.00 0.00 H new ATOM 19 N SER A 3 18.974 -6.859 -10.154 1.00 0.00 N ATOM 20 CA SER A 3 17.910 -5.999 -10.658 1.00 0.00 C ATOM 21 C SER A 3 17.607 -6.309 -12.121 1.00 0.00 C ATOM 22 O SER A 3 18.516 -6.487 -12.930 1.00 0.00 O ATOM 23 CB SER A 3 18.300 -4.527 -10.507 1.00 0.00 C ATOM 24 OG SER A 3 17.980 -4.045 -9.213 1.00 0.00 O ATOM 0 H SER A 3 19.757 -6.981 -10.796 1.00 0.00 H new ATOM 0 HA SER A 3 17.012 -6.192 -10.071 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.368 -4.410 -10.688 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.782 -3.931 -11.259 1.00 0.00 H new ATOM 0 HG SER A 3 18.240 -3.103 -9.141 1.00 0.00 H new ATOM 30 N GLY A 4 16.321 -6.373 -12.452 1.00 0.00 N ATOM 31 CA GLY A 4 15.919 -6.662 -13.816 1.00 0.00 C ATOM 32 C GLY A 4 15.883 -5.420 -14.685 1.00 0.00 C ATOM 33 O GLY A 4 15.954 -4.299 -14.181 1.00 0.00 O ATOM 0 H GLY A 4 15.550 -6.230 -11.800 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.610 -7.385 -14.250 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.933 -7.127 -13.810 1.00 0.00 H new ATOM 37 N SER A 5 15.776 -5.620 -15.995 1.00 0.00 N ATOM 38 CA SER A 5 15.736 -4.507 -16.937 1.00 0.00 C ATOM 39 C SER A 5 14.510 -4.603 -17.840 1.00 0.00 C ATOM 40 O SER A 5 13.754 -3.642 -17.982 1.00 0.00 O ATOM 41 CB SER A 5 17.009 -4.485 -17.786 1.00 0.00 C ATOM 42 OG SER A 5 16.981 -3.418 -18.718 1.00 0.00 O ATOM 0 H SER A 5 15.715 -6.542 -16.428 1.00 0.00 H new ATOM 0 HA SER A 5 15.672 -3.581 -16.366 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.880 -4.384 -17.139 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.113 -5.432 -18.315 1.00 0.00 H new ATOM 0 HG SER A 5 17.806 -3.424 -19.247 1.00 0.00 H new ATOM 48 N SER A 6 14.321 -5.769 -18.448 1.00 0.00 N ATOM 49 CA SER A 6 13.189 -5.991 -19.341 1.00 0.00 C ATOM 50 C SER A 6 12.467 -7.288 -18.991 1.00 0.00 C ATOM 51 O SER A 6 13.097 -8.294 -18.665 1.00 0.00 O ATOM 52 CB SER A 6 13.661 -6.033 -20.796 1.00 0.00 C ATOM 53 OG SER A 6 14.481 -7.164 -21.033 1.00 0.00 O ATOM 0 H SER A 6 14.937 -6.575 -18.339 1.00 0.00 H new ATOM 0 HA SER A 6 12.492 -5.163 -19.216 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.798 -6.060 -21.461 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.215 -5.123 -21.029 1.00 0.00 H new ATOM 0 HG SER A 6 14.768 -7.169 -21.970 1.00 0.00 H new ATOM 59 N GLY A 7 11.140 -7.257 -19.060 1.00 0.00 N ATOM 60 CA GLY A 7 10.352 -8.435 -18.748 1.00 0.00 C ATOM 61 C GLY A 7 9.961 -8.500 -17.285 1.00 0.00 C ATOM 62 O GLY A 7 10.187 -7.553 -16.531 1.00 0.00 O ATOM 0 H GLY A 7 10.596 -6.436 -19.327 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.451 -8.439 -19.362 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.920 -9.328 -19.009 1.00 0.00 H new ATOM 66 N LEU A 8 9.369 -9.619 -16.882 1.00 0.00 N ATOM 67 CA LEU A 8 8.943 -9.804 -15.499 1.00 0.00 C ATOM 68 C LEU A 8 9.538 -11.080 -14.911 1.00 0.00 C ATOM 69 O LEU A 8 10.133 -11.061 -13.835 1.00 0.00 O ATOM 70 CB LEU A 8 7.417 -9.854 -15.417 1.00 0.00 C ATOM 71 CG LEU A 8 6.682 -8.564 -15.784 1.00 0.00 C ATOM 72 CD1 LEU A 8 5.283 -8.873 -16.296 1.00 0.00 C ATOM 73 CD2 LEU A 8 6.618 -7.628 -14.586 1.00 0.00 C ATOM 0 H LEU A 8 9.173 -10.412 -17.493 1.00 0.00 H new ATOM 0 HA LEU A 8 9.304 -8.956 -14.917 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.064 -10.649 -16.074 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.137 -10.132 -14.401 1.00 0.00 H new ATOM 0 HG LEU A 8 7.236 -8.067 -16.580 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.776 -7.943 -16.552 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.351 -9.505 -17.182 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.719 -9.393 -15.522 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.092 -6.715 -14.865 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.087 -8.118 -13.770 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.629 -7.380 -14.264 1.00 0.00 H new ATOM 85 N GLY A 9 9.373 -12.188 -15.628 1.00 0.00 N ATOM 86 CA GLY A 9 9.901 -13.457 -15.163 1.00 0.00 C ATOM 87 C GLY A 9 8.834 -14.530 -15.070 1.00 0.00 C ATOM 88 O GLY A 9 8.099 -14.767 -16.028 1.00 0.00 O ATOM 0 H GLY A 9 8.883 -12.229 -16.522 1.00 0.00 H new ATOM 0 HA2 GLY A 9 10.688 -13.789 -15.840 1.00 0.00 H new ATOM 0 HA3 GLY A 9 10.360 -13.319 -14.184 1.00 0.00 H new ATOM 92 N ASN A 10 8.750 -15.181 -13.915 1.00 0.00 N ATOM 93 CA ASN A 10 7.766 -16.236 -13.702 1.00 0.00 C ATOM 94 C ASN A 10 6.417 -15.649 -13.298 1.00 0.00 C ATOM 95 O ASN A 10 5.370 -16.097 -13.764 1.00 0.00 O ATOM 96 CB ASN A 10 8.255 -17.208 -12.626 1.00 0.00 C ATOM 97 CG ASN A 10 9.726 -17.545 -12.777 1.00 0.00 C ATOM 98 OD1 ASN A 10 10.083 -18.561 -13.373 1.00 0.00 O ATOM 99 ND2 ASN A 10 10.587 -16.692 -12.235 1.00 0.00 N ATOM 0 H ASN A 10 9.351 -14.997 -13.112 1.00 0.00 H new ATOM 0 HA ASN A 10 7.640 -16.776 -14.640 1.00 0.00 H new ATOM 0 HB2 ASN A 10 8.084 -16.772 -11.642 1.00 0.00 H new ATOM 0 HB3 ASN A 10 7.668 -18.125 -12.675 1.00 0.00 H new ATOM 0 HD21 ASN A 10 11.590 -16.867 -12.304 1.00 0.00 H new ATOM 0 HD22 ASN A 10 10.246 -15.862 -11.750 1.00 0.00 H new ATOM 106 N GLU A 11 6.452 -14.644 -12.429 1.00 0.00 N ATOM 107 CA GLU A 11 5.232 -13.996 -11.962 1.00 0.00 C ATOM 108 C GLU A 11 5.125 -12.576 -12.512 1.00 0.00 C ATOM 109 O GLU A 11 6.081 -11.802 -12.450 1.00 0.00 O ATOM 110 CB GLU A 11 5.197 -13.966 -10.432 1.00 0.00 C ATOM 111 CG GLU A 11 6.362 -13.214 -9.811 1.00 0.00 C ATOM 112 CD GLU A 11 7.663 -13.989 -9.887 1.00 0.00 C ATOM 113 OE1 GLU A 11 7.843 -14.928 -9.084 1.00 0.00 O ATOM 114 OE2 GLU A 11 8.502 -13.656 -10.751 1.00 0.00 O ATOM 0 H GLU A 11 7.311 -14.261 -12.034 1.00 0.00 H new ATOM 0 HA GLU A 11 4.382 -14.573 -12.326 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.264 -13.506 -10.107 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.195 -14.989 -10.057 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.483 -12.257 -10.318 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.134 -12.995 -8.768 1.00 0.00 H new ATOM 121 N ASP A 12 3.957 -12.243 -13.049 1.00 0.00 N ATOM 122 CA ASP A 12 3.724 -10.917 -13.610 1.00 0.00 C ATOM 123 C ASP A 12 3.143 -9.977 -12.559 1.00 0.00 C ATOM 124 O ASP A 12 2.624 -10.420 -11.533 1.00 0.00 O ATOM 125 CB ASP A 12 2.781 -11.006 -14.810 1.00 0.00 C ATOM 126 CG ASP A 12 1.415 -11.545 -14.434 1.00 0.00 C ATOM 127 OD1 ASP A 12 0.701 -10.869 -13.663 1.00 0.00 O ATOM 128 OD2 ASP A 12 1.058 -12.643 -14.912 1.00 0.00 O ATOM 0 H ASP A 12 3.157 -12.873 -13.108 1.00 0.00 H new ATOM 0 HA ASP A 12 4.682 -10.516 -13.940 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.668 -10.017 -15.254 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.225 -11.648 -15.571 1.00 0.00 H new ATOM 133 N PHE A 13 3.233 -8.677 -12.820 1.00 0.00 N ATOM 134 CA PHE A 13 2.718 -7.674 -11.895 1.00 0.00 C ATOM 135 C PHE A 13 1.412 -8.141 -11.258 1.00 0.00 C ATOM 136 O PHE A 13 1.292 -8.199 -10.035 1.00 0.00 O ATOM 137 CB PHE A 13 2.496 -6.346 -12.622 1.00 0.00 C ATOM 138 CG PHE A 13 1.827 -5.303 -11.774 1.00 0.00 C ATOM 139 CD1 PHE A 13 2.239 -5.082 -10.469 1.00 0.00 C ATOM 140 CD2 PHE A 13 0.785 -4.542 -12.281 1.00 0.00 C ATOM 141 CE1 PHE A 13 1.625 -4.123 -9.686 1.00 0.00 C ATOM 142 CE2 PHE A 13 0.168 -3.581 -11.502 1.00 0.00 C ATOM 143 CZ PHE A 13 0.588 -3.372 -10.203 1.00 0.00 C ATOM 0 H PHE A 13 3.658 -8.293 -13.664 1.00 0.00 H new ATOM 0 HA PHE A 13 3.456 -7.531 -11.106 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.458 -5.963 -12.964 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.890 -6.524 -13.510 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.050 -5.666 -10.059 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.452 -4.702 -13.296 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.956 -3.961 -8.671 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.642 -2.994 -11.909 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.106 -2.622 -9.593 1.00 0.00 H new ATOM 153 N ASN A 14 0.437 -8.474 -12.097 1.00 0.00 N ATOM 154 CA ASN A 14 -0.861 -8.935 -11.617 1.00 0.00 C ATOM 155 C ASN A 14 -0.707 -10.171 -10.736 1.00 0.00 C ATOM 156 O ASN A 14 -1.476 -10.377 -9.797 1.00 0.00 O ATOM 157 CB ASN A 14 -1.783 -9.247 -12.797 1.00 0.00 C ATOM 158 CG ASN A 14 -2.575 -8.035 -13.249 1.00 0.00 C ATOM 159 OD1 ASN A 14 -3.801 -8.007 -13.143 1.00 0.00 O ATOM 160 ND2 ASN A 14 -1.875 -7.027 -13.755 1.00 0.00 N ATOM 0 H ASN A 14 0.521 -8.433 -13.113 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.304 -8.138 -11.020 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.188 -9.620 -13.631 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.472 -10.043 -12.515 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.353 -6.185 -14.075 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.860 -7.095 -13.823 1.00 0.00 H new ATOM 167 N SER A 15 0.293 -10.991 -11.046 1.00 0.00 N ATOM 168 CA SER A 15 0.547 -12.209 -10.285 1.00 0.00 C ATOM 169 C SER A 15 1.152 -11.882 -8.923 1.00 0.00 C ATOM 170 O SER A 15 0.623 -12.280 -7.884 1.00 0.00 O ATOM 171 CB SER A 15 1.483 -13.135 -11.063 1.00 0.00 C ATOM 172 OG SER A 15 1.317 -14.483 -10.659 1.00 0.00 O ATOM 0 H SER A 15 0.940 -10.834 -11.819 1.00 0.00 H new ATOM 0 HA SER A 15 -0.405 -12.716 -10.128 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.284 -13.045 -12.131 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.517 -12.829 -10.904 1.00 0.00 H new ATOM 0 HG SER A 15 1.925 -15.055 -11.172 1.00 0.00 H new ATOM 178 N VAL A 16 2.264 -11.154 -8.936 1.00 0.00 N ATOM 179 CA VAL A 16 2.942 -10.773 -7.703 1.00 0.00 C ATOM 180 C VAL A 16 1.973 -10.121 -6.722 1.00 0.00 C ATOM 181 O VAL A 16 2.013 -10.394 -5.522 1.00 0.00 O ATOM 182 CB VAL A 16 4.106 -9.802 -7.979 1.00 0.00 C ATOM 183 CG1 VAL A 16 3.655 -8.676 -8.898 1.00 0.00 C ATOM 184 CG2 VAL A 16 4.658 -9.248 -6.675 1.00 0.00 C ATOM 0 H VAL A 16 2.714 -10.816 -9.787 1.00 0.00 H new ATOM 0 HA VAL A 16 3.339 -11.689 -7.264 1.00 0.00 H new ATOM 0 HB VAL A 16 4.903 -10.351 -8.480 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.490 -8.000 -9.082 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.311 -9.094 -9.844 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.840 -8.126 -8.427 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.479 -8.564 -6.889 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.870 -8.714 -6.144 1.00 0.00 H new ATOM 0 HG23 VAL A 16 5.021 -10.068 -6.056 1.00 0.00 H new ATOM 194 N ILE A 17 1.105 -9.260 -7.241 1.00 0.00 N ATOM 195 CA ILE A 17 0.124 -8.571 -6.411 1.00 0.00 C ATOM 196 C ILE A 17 -0.871 -9.555 -5.805 1.00 0.00 C ATOM 197 O ILE A 17 -1.097 -9.556 -4.595 1.00 0.00 O ATOM 198 CB ILE A 17 -0.647 -7.508 -7.216 1.00 0.00 C ATOM 199 CG1 ILE A 17 0.293 -6.379 -7.642 1.00 0.00 C ATOM 200 CG2 ILE A 17 -1.805 -6.960 -6.396 1.00 0.00 C ATOM 201 CD1 ILE A 17 0.932 -5.653 -6.479 1.00 0.00 C ATOM 0 H ILE A 17 1.061 -9.023 -8.232 1.00 0.00 H new ATOM 0 HA ILE A 17 0.677 -8.078 -5.611 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.052 -7.976 -8.113 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.077 -6.790 -8.278 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.264 -5.662 -8.246 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.340 -6.210 -6.978 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.485 -7.772 -6.138 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.421 -6.505 -5.483 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.585 -4.866 -6.856 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.155 -5.212 -5.855 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.517 -6.357 -5.887 1.00 0.00 H new ATOM 213 N GLN A 18 -1.461 -10.390 -6.654 1.00 0.00 N ATOM 214 CA GLN A 18 -2.432 -11.379 -6.201 1.00 0.00 C ATOM 215 C GLN A 18 -1.813 -12.315 -5.167 1.00 0.00 C ATOM 216 O GLN A 18 -2.504 -12.821 -4.283 1.00 0.00 O ATOM 217 CB GLN A 18 -2.959 -12.188 -7.387 1.00 0.00 C ATOM 218 CG GLN A 18 -3.978 -11.438 -8.230 1.00 0.00 C ATOM 219 CD GLN A 18 -5.258 -11.144 -7.472 1.00 0.00 C ATOM 220 OE1 GLN A 18 -5.391 -11.488 -6.297 1.00 0.00 O ATOM 221 NE2 GLN A 18 -6.209 -10.504 -8.142 1.00 0.00 N ATOM 0 H GLN A 18 -1.284 -10.402 -7.658 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.262 -10.849 -5.734 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.120 -12.479 -8.019 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.412 -13.107 -7.016 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.540 -10.501 -8.574 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.212 -12.025 -9.118 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.056 -10.238 -9.115 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.092 -10.279 -7.684 1.00 0.00 H new ATOM 230 N GLN A 19 -0.509 -12.541 -5.286 1.00 0.00 N ATOM 231 CA GLN A 19 0.202 -13.417 -4.362 1.00 0.00 C ATOM 232 C GLN A 19 0.426 -12.726 -3.021 1.00 0.00 C ATOM 233 O GLN A 19 0.341 -13.355 -1.966 1.00 0.00 O ATOM 234 CB GLN A 19 1.544 -13.843 -4.960 1.00 0.00 C ATOM 235 CG GLN A 19 1.418 -14.906 -6.040 1.00 0.00 C ATOM 236 CD GLN A 19 2.706 -15.676 -6.253 1.00 0.00 C ATOM 237 OE1 GLN A 19 2.907 -16.746 -5.678 1.00 0.00 O ATOM 238 NE2 GLN A 19 3.589 -15.134 -7.085 1.00 0.00 N ATOM 0 H GLN A 19 0.077 -12.130 -6.013 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.411 -14.303 -4.196 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.040 -12.968 -5.379 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.184 -14.221 -4.163 1.00 0.00 H new ATOM 0 HG2 GLN A 19 0.624 -15.602 -5.769 1.00 0.00 H new ATOM 0 HG3 GLN A 19 1.122 -14.434 -6.977 1.00 0.00 H new ATOM 0 HE21 GLN A 19 3.382 -14.245 -7.541 1.00 0.00 H new ATOM 0 HE22 GLN A 19 4.474 -15.607 -7.268 1.00 0.00 H new ATOM 247 N MET A 20 0.714 -11.430 -3.069 1.00 0.00 N ATOM 248 CA MET A 20 0.950 -10.654 -1.857 1.00 0.00 C ATOM 249 C MET A 20 -0.362 -10.364 -1.134 1.00 0.00 C ATOM 250 O MET A 20 -0.394 -10.256 0.092 1.00 0.00 O ATOM 251 CB MET A 20 1.660 -9.342 -2.196 1.00 0.00 C ATOM 252 CG MET A 20 2.976 -9.536 -2.931 1.00 0.00 C ATOM 253 SD MET A 20 3.366 -8.161 -4.031 1.00 0.00 S ATOM 254 CE MET A 20 3.921 -6.932 -2.852 1.00 0.00 C ATOM 0 H MET A 20 0.790 -10.895 -3.934 1.00 0.00 H new ATOM 0 HA MET A 20 1.586 -11.243 -1.196 1.00 0.00 H new ATOM 0 HB2 MET A 20 0.999 -8.728 -2.807 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.846 -8.790 -1.275 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.780 -9.654 -2.204 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.932 -10.458 -3.510 1.00 0.00 H new ATOM 0 HE1 MET A 20 4.618 -6.250 -3.339 1.00 0.00 H new ATOM 0 HE2 MET A 20 3.064 -6.371 -2.480 1.00 0.00 H new ATOM 0 HE3 MET A 20 4.420 -7.427 -2.018 1.00 0.00 H new ATOM 264 N ALA A 21 -1.440 -10.239 -1.900 1.00 0.00 N ATOM 265 CA ALA A 21 -2.754 -9.963 -1.331 1.00 0.00 C ATOM 266 C ALA A 21 -3.326 -11.199 -0.646 1.00 0.00 C ATOM 267 O ALA A 21 -4.033 -11.093 0.355 1.00 0.00 O ATOM 268 CB ALA A 21 -3.704 -9.469 -2.412 1.00 0.00 C ATOM 0 H ALA A 21 -1.430 -10.324 -2.916 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.640 -9.183 -0.578 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.681 -9.267 -1.973 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.308 -8.554 -2.854 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.804 -10.231 -3.185 1.00 0.00 H new ATOM 274 N GLN A 22 -3.015 -12.370 -1.192 1.00 0.00 N ATOM 275 CA GLN A 22 -3.500 -13.626 -0.633 1.00 0.00 C ATOM 276 C GLN A 22 -5.024 -13.647 -0.582 1.00 0.00 C ATOM 277 O GLN A 22 -5.617 -13.929 0.458 1.00 0.00 O ATOM 278 CB GLN A 22 -2.928 -13.839 0.770 1.00 0.00 C ATOM 279 CG GLN A 22 -1.416 -13.697 0.838 1.00 0.00 C ATOM 280 CD GLN A 22 -0.696 -15.010 0.600 1.00 0.00 C ATOM 281 OE1 GLN A 22 -0.177 -15.625 1.532 1.00 0.00 O ATOM 282 NE2 GLN A 22 -0.659 -15.446 -0.654 1.00 0.00 N ATOM 0 H GLN A 22 -2.430 -12.475 -2.021 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.165 -14.436 -1.281 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.383 -13.121 1.452 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.208 -14.833 1.120 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -1.089 -12.968 0.096 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.135 -13.305 1.815 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.103 -14.904 -1.396 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.187 -16.323 -0.875 1.00 0.00 H new ATOM 291 N GLY A 23 -5.654 -13.345 -1.714 1.00 0.00 N ATOM 292 CA GLY A 23 -7.104 -13.334 -1.776 1.00 0.00 C ATOM 293 C GLY A 23 -7.695 -12.025 -1.293 1.00 0.00 C ATOM 294 O GLY A 23 -8.726 -11.578 -1.797 1.00 0.00 O ATOM 0 H GLY A 23 -5.186 -13.108 -2.589 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.422 -13.516 -2.803 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.497 -14.151 -1.171 1.00 0.00 H new ATOM 298 N ARG A 24 -7.042 -11.408 -0.313 1.00 0.00 N ATOM 299 CA ARG A 24 -7.511 -10.144 0.240 1.00 0.00 C ATOM 300 C ARG A 24 -7.973 -9.203 -0.869 1.00 0.00 C ATOM 301 O ARG A 24 -7.321 -9.084 -1.906 1.00 0.00 O ATOM 302 CB ARG A 24 -6.404 -9.479 1.059 1.00 0.00 C ATOM 303 CG ARG A 24 -6.098 -10.194 2.365 1.00 0.00 C ATOM 304 CD ARG A 24 -5.023 -9.470 3.159 1.00 0.00 C ATOM 305 NE ARG A 24 -3.682 -9.934 2.815 1.00 0.00 N ATOM 306 CZ ARG A 24 -2.582 -9.216 3.013 1.00 0.00 C ATOM 307 NH1 ARG A 24 -2.664 -8.006 3.550 1.00 0.00 N ATOM 308 NH2 ARG A 24 -1.397 -9.707 2.674 1.00 0.00 N ATOM 0 H ARG A 24 -6.187 -11.764 0.114 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.359 -10.354 0.891 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.496 -9.435 0.458 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.693 -8.451 1.277 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.007 -10.266 2.963 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.773 -11.213 2.155 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.095 -8.398 2.973 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.196 -9.620 4.225 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.584 -10.861 2.400 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.573 -7.625 3.812 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.818 -7.457 3.701 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.330 -10.637 2.261 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.553 -9.154 2.827 1.00 0.00 H new ATOM 322 N GLN A 25 -9.102 -8.538 -0.643 1.00 0.00 N ATOM 323 CA GLN A 25 -9.651 -7.610 -1.624 1.00 0.00 C ATOM 324 C GLN A 25 -8.719 -6.420 -1.828 1.00 0.00 C ATOM 325 O GLN A 25 -8.492 -5.632 -0.909 1.00 0.00 O ATOM 326 CB GLN A 25 -11.030 -7.122 -1.179 1.00 0.00 C ATOM 327 CG GLN A 25 -11.595 -6.014 -2.054 1.00 0.00 C ATOM 328 CD GLN A 25 -12.945 -5.520 -1.571 1.00 0.00 C ATOM 329 OE1 GLN A 25 -13.586 -6.152 -0.731 1.00 0.00 O ATOM 330 NE2 GLN A 25 -13.384 -4.385 -2.101 1.00 0.00 N ATOM 0 H GLN A 25 -9.654 -8.625 0.211 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.749 -8.139 -2.572 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.722 -7.964 -1.181 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.966 -6.765 -0.151 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.894 -5.180 -2.076 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.690 -6.377 -3.077 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.820 -3.894 -2.794 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -14.286 -4.004 -1.815 1.00 0.00 H new ATOM 339 N ILE A 26 -8.181 -6.296 -3.037 1.00 0.00 N ATOM 340 CA ILE A 26 -7.274 -5.202 -3.361 1.00 0.00 C ATOM 341 C ILE A 26 -8.046 -3.939 -3.726 1.00 0.00 C ATOM 342 O ILE A 26 -9.094 -4.004 -4.367 1.00 0.00 O ATOM 343 CB ILE A 26 -6.338 -5.573 -4.526 1.00 0.00 C ATOM 344 CG1 ILE A 26 -5.633 -6.901 -4.240 1.00 0.00 C ATOM 345 CG2 ILE A 26 -5.321 -4.467 -4.761 1.00 0.00 C ATOM 346 CD1 ILE A 26 -5.016 -7.534 -5.467 1.00 0.00 C ATOM 0 H ILE A 26 -8.358 -6.940 -3.808 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.674 -5.014 -2.470 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.936 -5.688 -5.430 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.854 -6.737 -3.495 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.350 -7.597 -3.804 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.667 -4.744 -5.588 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.841 -3.540 -5.005 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.726 -4.323 -3.859 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.534 -8.471 -5.189 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.794 -7.730 -6.205 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.275 -6.857 -5.892 1.00 0.00 H new ATOM 358 N GLU A 27 -7.519 -2.790 -3.315 1.00 0.00 N ATOM 359 CA GLU A 27 -8.158 -1.511 -3.600 1.00 0.00 C ATOM 360 C GLU A 27 -7.127 -0.471 -4.030 1.00 0.00 C ATOM 361 O GLU A 27 -6.255 -0.087 -3.251 1.00 0.00 O ATOM 362 CB GLU A 27 -8.920 -1.011 -2.371 1.00 0.00 C ATOM 363 CG GLU A 27 -10.325 -1.578 -2.254 1.00 0.00 C ATOM 364 CD GLU A 27 -11.210 -1.188 -3.422 1.00 0.00 C ATOM 365 OE1 GLU A 27 -11.169 -0.009 -3.832 1.00 0.00 O ATOM 366 OE2 GLU A 27 -11.944 -2.063 -3.928 1.00 0.00 O ATOM 0 H GLU A 27 -6.651 -2.719 -2.784 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.861 -1.661 -4.419 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.357 -1.270 -1.474 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.978 0.077 -2.408 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.270 -2.665 -2.191 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.778 -1.228 -1.327 1.00 0.00 H new ATOM 373 N TYR A 28 -7.235 -0.020 -5.275 1.00 0.00 N ATOM 374 CA TYR A 28 -6.311 0.973 -5.811 1.00 0.00 C ATOM 375 C TYR A 28 -6.586 2.350 -5.215 1.00 0.00 C ATOM 376 O TYR A 28 -7.554 3.016 -5.584 1.00 0.00 O ATOM 377 CB TYR A 28 -6.422 1.032 -7.335 1.00 0.00 C ATOM 378 CG TYR A 28 -6.235 -0.308 -8.009 1.00 0.00 C ATOM 379 CD1 TYR A 28 -7.274 -1.228 -8.070 1.00 0.00 C ATOM 380 CD2 TYR A 28 -5.019 -0.655 -8.586 1.00 0.00 C ATOM 381 CE1 TYR A 28 -7.108 -2.455 -8.683 1.00 0.00 C ATOM 382 CE2 TYR A 28 -4.844 -1.878 -9.203 1.00 0.00 C ATOM 383 CZ TYR A 28 -5.891 -2.775 -9.249 1.00 0.00 C ATOM 384 OH TYR A 28 -5.722 -3.995 -9.863 1.00 0.00 O ATOM 0 H TYR A 28 -7.953 -0.326 -5.932 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.298 0.675 -5.539 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.400 1.431 -7.604 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.677 1.729 -7.718 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.229 -0.980 -7.630 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -4.197 0.044 -8.551 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -7.926 -3.159 -8.719 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -3.893 -2.131 -9.647 1.00 0.00 H new ATOM 0 HH TYR A 28 -4.808 -4.062 -10.211 1.00 0.00 H new ATOM 394 N ILE A 29 -5.727 2.771 -4.293 1.00 0.00 N ATOM 395 CA ILE A 29 -5.876 4.069 -3.647 1.00 0.00 C ATOM 396 C ILE A 29 -5.167 5.162 -4.440 1.00 0.00 C ATOM 397 O ILE A 29 -3.946 5.138 -4.595 1.00 0.00 O ATOM 398 CB ILE A 29 -5.320 4.050 -2.211 1.00 0.00 C ATOM 399 CG1 ILE A 29 -5.881 2.854 -1.439 1.00 0.00 C ATOM 400 CG2 ILE A 29 -5.652 5.352 -1.497 1.00 0.00 C ATOM 401 CD1 ILE A 29 -7.374 2.932 -1.208 1.00 0.00 C ATOM 0 H ILE A 29 -4.921 2.232 -3.977 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.944 4.283 -3.612 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.236 3.951 -2.258 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.653 1.939 -1.986 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.375 2.784 -0.476 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.252 5.323 -0.483 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.208 6.187 -2.038 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.734 5.479 -1.457 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.703 2.052 -0.655 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.607 3.829 -0.634 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.889 2.971 -2.168 1.00 0.00 H new ATOM 413 N ASP A 30 -5.941 6.119 -4.940 1.00 0.00 N ATOM 414 CA ASP A 30 -5.387 7.223 -5.715 1.00 0.00 C ATOM 415 C ASP A 30 -5.091 8.421 -4.819 1.00 0.00 C ATOM 416 O ASP A 30 -5.979 8.935 -4.139 1.00 0.00 O ATOM 417 CB ASP A 30 -6.356 7.629 -6.827 1.00 0.00 C ATOM 418 CG ASP A 30 -6.201 9.084 -7.227 1.00 0.00 C ATOM 419 OD1 ASP A 30 -5.047 9.544 -7.353 1.00 0.00 O ATOM 420 OD2 ASP A 30 -7.233 9.762 -7.413 1.00 0.00 O ATOM 0 H ASP A 30 -6.954 6.153 -4.822 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.452 6.887 -6.163 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.190 6.996 -7.699 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.379 7.453 -6.495 1.00 0.00 H new ATOM 425 N ILE A 31 -3.836 8.859 -4.822 1.00 0.00 N ATOM 426 CA ILE A 31 -3.423 9.997 -4.009 1.00 0.00 C ATOM 427 C ILE A 31 -2.797 11.089 -4.870 1.00 0.00 C ATOM 428 O ILE A 31 -1.884 10.828 -5.652 1.00 0.00 O ATOM 429 CB ILE A 31 -2.417 9.575 -2.922 1.00 0.00 C ATOM 430 CG1 ILE A 31 -3.112 8.729 -1.854 1.00 0.00 C ATOM 431 CG2 ILE A 31 -1.770 10.802 -2.295 1.00 0.00 C ATOM 432 CD1 ILE A 31 -2.151 8.029 -0.917 1.00 0.00 C ATOM 0 H ILE A 31 -3.088 8.444 -5.378 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.321 10.386 -3.530 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.636 8.972 -3.385 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.775 9.368 -1.271 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.738 7.983 -2.344 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.061 10.488 -1.529 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.245 11.370 -3.064 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.539 11.428 -1.843 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.714 7.448 -0.186 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.504 7.364 -1.489 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.542 8.770 -0.400 1.00 0.00 H new ATOM 444 N GLU A 32 -3.294 12.312 -4.718 1.00 0.00 N ATOM 445 CA GLU A 32 -2.781 13.444 -5.481 1.00 0.00 C ATOM 446 C GLU A 32 -1.711 14.193 -4.691 1.00 0.00 C ATOM 447 O GLU A 32 -2.022 14.996 -3.811 1.00 0.00 O ATOM 448 CB GLU A 32 -3.920 14.398 -5.848 1.00 0.00 C ATOM 449 CG GLU A 32 -3.447 15.783 -6.256 1.00 0.00 C ATOM 450 CD GLU A 32 -4.385 16.453 -7.241 1.00 0.00 C ATOM 451 OE1 GLU A 32 -4.363 16.075 -8.432 1.00 0.00 O ATOM 452 OE2 GLU A 32 -5.141 17.354 -6.823 1.00 0.00 O ATOM 0 H GLU A 32 -4.050 12.544 -4.074 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.330 13.058 -6.395 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.496 13.965 -6.666 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.594 14.490 -4.996 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.353 16.407 -5.367 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.454 15.708 -6.699 1.00 0.00 H new ATOM 459 N ARG A 33 -0.450 13.923 -5.013 1.00 0.00 N ATOM 460 CA ARG A 33 0.667 14.569 -4.333 1.00 0.00 C ATOM 461 C ARG A 33 0.434 16.072 -4.214 1.00 0.00 C ATOM 462 O ARG A 33 0.525 16.818 -5.190 1.00 0.00 O ATOM 463 CB ARG A 33 1.972 14.301 -5.085 1.00 0.00 C ATOM 464 CG ARG A 33 2.689 13.041 -4.630 1.00 0.00 C ATOM 465 CD ARG A 33 3.665 13.332 -3.500 1.00 0.00 C ATOM 466 NE ARG A 33 4.649 14.345 -3.874 1.00 0.00 N ATOM 467 CZ ARG A 33 5.293 15.103 -2.994 1.00 0.00 C ATOM 468 NH1 ARG A 33 5.059 14.964 -1.697 1.00 0.00 N ATOM 469 NH2 ARG A 33 6.174 16.003 -3.412 1.00 0.00 N ATOM 0 H ARG A 33 -0.176 13.262 -5.740 1.00 0.00 H new ATOM 0 HA ARG A 33 0.742 14.150 -3.329 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.758 14.222 -6.151 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.638 15.154 -4.956 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.957 12.304 -4.299 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.225 12.602 -5.471 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.113 13.669 -2.622 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.180 12.413 -3.220 1.00 0.00 H new ATOM 0 HE ARG A 33 4.852 14.477 -4.865 1.00 0.00 H new ATOM 0 HH11 ARG A 33 4.383 14.273 -1.372 1.00 0.00 H new ATOM 0 HH12 ARG A 33 5.555 15.548 -1.024 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.357 16.113 -4.409 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.668 16.585 -2.736 1.00 0.00 H new ATOM 483 N PRO A 34 0.127 16.529 -2.991 1.00 0.00 N ATOM 484 CA PRO A 34 -0.125 17.946 -2.716 1.00 0.00 C ATOM 485 C PRO A 34 1.141 18.791 -2.820 1.00 0.00 C ATOM 486 O PRO A 34 2.181 18.313 -3.272 1.00 0.00 O ATOM 487 CB PRO A 34 -0.647 17.941 -1.277 1.00 0.00 C ATOM 488 CG PRO A 34 -0.075 16.706 -0.671 1.00 0.00 C ATOM 489 CD PRO A 34 0.001 15.696 -1.783 1.00 0.00 C ATOM 0 HA PRO A 34 -0.819 18.383 -3.434 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.327 18.832 -0.737 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.737 17.927 -1.251 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.912 16.899 -0.251 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.703 16.344 0.143 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.855 15.030 -1.663 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.890 15.069 -1.818 1.00 0.00 H new ATOM 497 N SER A 35 1.045 20.047 -2.397 1.00 0.00 N ATOM 498 CA SER A 35 2.182 20.959 -2.446 1.00 0.00 C ATOM 499 C SER A 35 3.330 20.442 -1.585 1.00 0.00 C ATOM 500 O SER A 35 3.255 19.351 -1.018 1.00 0.00 O ATOM 501 CB SER A 35 1.765 22.354 -1.976 1.00 0.00 C ATOM 502 OG SER A 35 1.669 22.408 -0.563 1.00 0.00 O ATOM 0 H SER A 35 0.192 20.457 -2.017 1.00 0.00 H new ATOM 0 HA SER A 35 2.524 21.019 -3.479 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.490 23.090 -2.323 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.805 22.619 -2.419 1.00 0.00 H new ATOM 0 HG SER A 35 1.403 23.310 -0.287 1.00 0.00 H new ATOM 508 N THR A 36 4.394 21.233 -1.492 1.00 0.00 N ATOM 509 CA THR A 36 5.560 20.857 -0.702 1.00 0.00 C ATOM 510 C THR A 36 5.147 20.174 0.597 1.00 0.00 C ATOM 511 O THR A 36 5.894 19.369 1.152 1.00 0.00 O ATOM 512 CB THR A 36 6.433 22.081 -0.369 1.00 0.00 C ATOM 513 OG1 THR A 36 5.684 23.019 0.412 1.00 0.00 O ATOM 514 CG2 THR A 36 6.928 22.754 -1.641 1.00 0.00 C ATOM 0 H THR A 36 4.472 22.139 -1.954 1.00 0.00 H new ATOM 0 HA THR A 36 6.140 20.161 -1.308 1.00 0.00 H new ATOM 0 HB THR A 36 7.296 21.740 0.203 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.247 23.794 0.621 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.542 23.616 -1.381 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.522 22.046 -2.220 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.075 23.082 -2.235 1.00 0.00 H new ATOM 522 N GLY A 37 3.951 20.501 1.078 1.00 0.00 N ATOM 523 CA GLY A 37 3.459 19.909 2.308 1.00 0.00 C ATOM 524 C GLY A 37 3.881 18.462 2.465 1.00 0.00 C ATOM 525 O GLY A 37 4.935 18.173 3.029 1.00 0.00 O ATOM 0 H GLY A 37 3.314 21.165 0.638 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.826 20.485 3.157 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.371 19.971 2.327 1.00 0.00 H new ATOM 529 N GLY A 38 3.054 17.548 1.965 1.00 0.00 N ATOM 530 CA GLY A 38 3.364 16.134 2.064 1.00 0.00 C ATOM 531 C GLY A 38 2.137 15.259 1.900 1.00 0.00 C ATOM 532 O GLY A 38 1.009 15.753 1.893 1.00 0.00 O ATOM 0 H GLY A 38 2.175 17.762 1.493 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.098 15.872 1.302 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.823 15.933 3.032 1.00 0.00 H new ATOM 536 N LEU A 39 2.356 13.955 1.767 1.00 0.00 N ATOM 537 CA LEU A 39 1.259 13.008 1.600 1.00 0.00 C ATOM 538 C LEU A 39 0.270 13.112 2.757 1.00 0.00 C ATOM 539 O LEU A 39 -0.921 12.853 2.593 1.00 0.00 O ATOM 540 CB LEU A 39 1.801 11.581 1.505 1.00 0.00 C ATOM 541 CG LEU A 39 3.186 11.430 0.873 1.00 0.00 C ATOM 542 CD1 LEU A 39 3.526 9.960 0.680 1.00 0.00 C ATOM 543 CD2 LEU A 39 3.251 12.173 -0.453 1.00 0.00 C ATOM 0 H LEU A 39 3.283 13.530 1.772 1.00 0.00 H new ATOM 0 HA LEU A 39 0.737 13.254 0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.834 11.158 2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.094 10.983 0.930 1.00 0.00 H new ATOM 0 HG LEU A 39 3.922 11.867 1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.515 9.871 0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.521 9.456 1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.786 9.498 0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.243 12.055 -0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.505 11.766 -1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.052 13.232 -0.287 1.00 0.00 H new ATOM 555 N GLY A 40 0.773 13.495 3.926 1.00 0.00 N ATOM 556 CA GLY A 40 -0.080 13.629 5.093 1.00 0.00 C ATOM 557 C GLY A 40 -0.317 12.306 5.793 1.00 0.00 C ATOM 558 O GLY A 40 -1.118 12.222 6.724 1.00 0.00 O ATOM 0 H GLY A 40 1.756 13.715 4.086 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.374 14.330 5.793 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.038 14.054 4.792 1.00 0.00 H new ATOM 562 N PHE A 41 0.380 11.267 5.343 1.00 0.00 N ATOM 563 CA PHE A 41 0.240 9.940 5.931 1.00 0.00 C ATOM 564 C PHE A 41 1.600 9.263 6.076 1.00 0.00 C ATOM 565 O PHE A 41 2.436 9.327 5.174 1.00 0.00 O ATOM 566 CB PHE A 41 -0.685 9.075 5.074 1.00 0.00 C ATOM 567 CG PHE A 41 -0.010 8.489 3.867 1.00 0.00 C ATOM 568 CD1 PHE A 41 0.867 7.424 3.995 1.00 0.00 C ATOM 569 CD2 PHE A 41 -0.253 9.004 2.603 1.00 0.00 C ATOM 570 CE1 PHE A 41 1.490 6.884 2.886 1.00 0.00 C ATOM 571 CE2 PHE A 41 0.367 8.468 1.490 1.00 0.00 C ATOM 572 CZ PHE A 41 1.239 7.406 1.632 1.00 0.00 C ATOM 0 H PHE A 41 1.047 11.319 4.573 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.197 10.053 6.923 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.083 8.266 5.686 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.534 9.676 4.749 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.066 7.011 4.973 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.935 9.834 2.487 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.172 6.055 3.000 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.170 8.879 0.511 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.724 6.984 0.764 1.00 0.00 H new ATOM 582 N SER A 42 1.813 8.615 7.216 1.00 0.00 N ATOM 583 CA SER A 42 3.073 7.930 7.482 1.00 0.00 C ATOM 584 C SER A 42 2.953 6.439 7.181 1.00 0.00 C ATOM 585 O SER A 42 1.869 5.939 6.879 1.00 0.00 O ATOM 586 CB SER A 42 3.493 8.136 8.938 1.00 0.00 C ATOM 587 OG SER A 42 4.143 9.383 9.110 1.00 0.00 O ATOM 0 H SER A 42 1.130 8.550 7.971 1.00 0.00 H new ATOM 0 HA SER A 42 3.835 8.355 6.829 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.616 8.088 9.583 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.159 7.330 9.245 1.00 0.00 H new ATOM 0 HG SER A 42 4.400 9.491 10.050 1.00 0.00 H new ATOM 593 N VAL A 43 4.076 5.732 7.266 1.00 0.00 N ATOM 594 CA VAL A 43 4.099 4.298 7.005 1.00 0.00 C ATOM 595 C VAL A 43 5.030 3.578 7.974 1.00 0.00 C ATOM 596 O VAL A 43 5.968 4.170 8.506 1.00 0.00 O ATOM 597 CB VAL A 43 4.546 3.998 5.562 1.00 0.00 C ATOM 598 CG1 VAL A 43 3.489 4.457 4.569 1.00 0.00 C ATOM 599 CG2 VAL A 43 5.885 4.658 5.271 1.00 0.00 C ATOM 0 H VAL A 43 4.982 6.130 7.514 1.00 0.00 H new ATOM 0 HA VAL A 43 3.081 3.934 7.146 1.00 0.00 H new ATOM 0 HB VAL A 43 4.667 2.920 5.454 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.822 4.237 3.555 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.554 3.933 4.765 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.333 5.531 4.674 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.185 4.435 4.247 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.794 5.737 5.396 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.637 4.275 5.961 1.00 0.00 H new ATOM 609 N VAL A 44 4.763 2.295 8.198 1.00 0.00 N ATOM 610 CA VAL A 44 5.578 1.492 9.102 1.00 0.00 C ATOM 611 C VAL A 44 6.188 0.297 8.377 1.00 0.00 C ATOM 612 O VAL A 44 5.538 -0.337 7.547 1.00 0.00 O ATOM 613 CB VAL A 44 4.753 0.984 10.300 1.00 0.00 C ATOM 614 CG1 VAL A 44 4.629 2.068 11.360 1.00 0.00 C ATOM 615 CG2 VAL A 44 3.380 0.516 9.841 1.00 0.00 C ATOM 0 H VAL A 44 3.989 1.790 7.766 1.00 0.00 H new ATOM 0 HA VAL A 44 6.376 2.139 9.467 1.00 0.00 H new ATOM 0 HB VAL A 44 5.272 0.134 10.743 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.043 1.692 12.199 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.622 2.351 11.709 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.133 2.939 10.933 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.811 0.161 10.700 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.850 1.346 9.373 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.494 -0.294 9.121 1.00 0.00 H new ATOM 625 N ALA A 45 7.442 -0.004 8.697 1.00 0.00 N ATOM 626 CA ALA A 45 8.141 -1.124 8.078 1.00 0.00 C ATOM 627 C ALA A 45 8.177 -2.331 9.010 1.00 0.00 C ATOM 628 O ALA A 45 8.796 -2.289 10.074 1.00 0.00 O ATOM 629 CB ALA A 45 9.553 -0.715 7.687 1.00 0.00 C ATOM 0 H ALA A 45 7.995 0.512 9.381 1.00 0.00 H new ATOM 0 HA ALA A 45 7.595 -1.408 7.178 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.063 -1.561 7.226 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.509 0.112 6.978 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.101 -0.402 8.576 1.00 0.00 H new ATOM 635 N LEU A 46 7.508 -3.405 8.605 1.00 0.00 N ATOM 636 CA LEU A 46 7.463 -4.625 9.404 1.00 0.00 C ATOM 637 C LEU A 46 7.793 -5.847 8.553 1.00 0.00 C ATOM 638 O LEU A 46 7.102 -6.140 7.577 1.00 0.00 O ATOM 639 CB LEU A 46 6.082 -4.790 10.041 1.00 0.00 C ATOM 640 CG LEU A 46 5.593 -3.620 10.895 1.00 0.00 C ATOM 641 CD1 LEU A 46 4.108 -3.761 11.192 1.00 0.00 C ATOM 642 CD2 LEU A 46 6.391 -3.531 12.187 1.00 0.00 C ATOM 0 H LEU A 46 6.989 -3.456 7.728 1.00 0.00 H new ATOM 0 HA LEU A 46 8.212 -4.542 10.191 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.356 -4.962 9.247 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.095 -5.686 10.661 1.00 0.00 H new ATOM 0 HG LEU A 46 5.745 -2.698 10.334 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.777 -2.920 11.801 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.549 -3.774 10.256 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.932 -4.691 11.732 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.029 -2.692 12.781 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.272 -4.455 12.753 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.445 -3.382 11.954 1.00 0.00 H new ATOM 654 N ARG A 47 8.851 -6.556 8.930 1.00 0.00 N ATOM 655 CA ARG A 47 9.271 -7.747 8.201 1.00 0.00 C ATOM 656 C ARG A 47 8.129 -8.753 8.099 1.00 0.00 C ATOM 657 O ARG A 47 7.598 -9.210 9.111 1.00 0.00 O ATOM 658 CB ARG A 47 10.475 -8.394 8.890 1.00 0.00 C ATOM 659 CG ARG A 47 11.402 -9.126 7.934 1.00 0.00 C ATOM 660 CD ARG A 47 10.870 -10.508 7.590 1.00 0.00 C ATOM 661 NE ARG A 47 10.911 -11.412 8.736 1.00 0.00 N ATOM 662 CZ ARG A 47 10.892 -12.736 8.629 1.00 0.00 C ATOM 663 NH1 ARG A 47 10.833 -13.307 7.434 1.00 0.00 N ATOM 664 NH2 ARG A 47 10.933 -13.492 9.719 1.00 0.00 N ATOM 0 H ARG A 47 9.433 -6.327 9.736 1.00 0.00 H new ATOM 0 HA ARG A 47 9.556 -7.444 7.194 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.041 -7.623 9.413 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.118 -9.095 9.645 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.519 -8.542 7.021 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.391 -9.217 8.383 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.844 -10.423 7.232 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.458 -10.930 6.775 1.00 0.00 H new ATOM 0 HE ARG A 47 10.957 -11.005 9.670 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.802 -12.729 6.594 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.819 -14.324 7.355 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.979 -13.057 10.640 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.918 -14.508 9.635 1.00 0.00 H new ATOM 678 N SER A 48 7.755 -9.093 6.869 1.00 0.00 N ATOM 679 CA SER A 48 6.673 -10.042 6.634 1.00 0.00 C ATOM 680 C SER A 48 7.159 -11.477 6.815 1.00 0.00 C ATOM 681 O SER A 48 8.304 -11.799 6.500 1.00 0.00 O ATOM 682 CB SER A 48 6.102 -9.858 5.227 1.00 0.00 C ATOM 683 OG SER A 48 4.735 -10.227 5.179 1.00 0.00 O ATOM 0 H SER A 48 8.185 -8.725 6.020 1.00 0.00 H new ATOM 0 HA SER A 48 5.888 -9.849 7.365 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.212 -8.818 4.920 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.670 -10.462 4.519 1.00 0.00 H new ATOM 0 HG SER A 48 4.627 -11.006 4.595 1.00 0.00 H new ATOM 689 N GLN A 49 6.279 -12.333 7.324 1.00 0.00 N ATOM 690 CA GLN A 49 6.619 -13.733 7.548 1.00 0.00 C ATOM 691 C GLN A 49 6.396 -14.556 6.283 1.00 0.00 C ATOM 692 O GLN A 49 5.973 -15.709 6.347 1.00 0.00 O ATOM 693 CB GLN A 49 5.785 -14.305 8.695 1.00 0.00 C ATOM 694 CG GLN A 49 6.390 -14.061 10.068 1.00 0.00 C ATOM 695 CD GLN A 49 5.851 -15.008 11.121 1.00 0.00 C ATOM 696 OE1 GLN A 49 5.713 -16.208 10.881 1.00 0.00 O ATOM 697 NE2 GLN A 49 5.542 -14.474 12.297 1.00 0.00 N ATOM 0 H GLN A 49 5.326 -12.082 7.589 1.00 0.00 H new ATOM 0 HA GLN A 49 7.675 -13.786 7.814 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.788 -13.865 8.663 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.665 -15.378 8.546 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.473 -14.169 10.008 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.189 -13.034 10.372 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.672 -13.474 12.453 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.175 -15.063 13.044 1.00 0.00 H new ATOM 706 N ASN A 50 6.684 -13.954 5.133 1.00 0.00 N ATOM 707 CA ASN A 50 6.514 -14.631 3.853 1.00 0.00 C ATOM 708 C ASN A 50 7.853 -15.131 3.320 1.00 0.00 C ATOM 709 O ASN A 50 8.132 -16.331 3.336 1.00 0.00 O ATOM 710 CB ASN A 50 5.868 -13.688 2.835 1.00 0.00 C ATOM 711 CG ASN A 50 4.354 -13.689 2.926 1.00 0.00 C ATOM 712 OD1 ASN A 50 3.750 -12.735 3.415 1.00 0.00 O ATOM 713 ND2 ASN A 50 3.734 -14.764 2.454 1.00 0.00 N ATOM 0 H ASN A 50 7.036 -12.999 5.062 1.00 0.00 H new ATOM 0 HA ASN A 50 5.861 -15.490 4.009 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.238 -12.675 2.996 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.169 -13.982 1.829 1.00 0.00 H new ATOM 0 HD21 ASN A 50 2.716 -14.822 2.488 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.275 -15.532 2.057 1.00 0.00 H new ATOM 720 N LEU A 51 8.680 -14.204 2.849 1.00 0.00 N ATOM 721 CA LEU A 51 9.991 -14.550 2.312 1.00 0.00 C ATOM 722 C LEU A 51 10.797 -13.295 1.992 1.00 0.00 C ATOM 723 O LEU A 51 10.537 -12.613 1.002 1.00 0.00 O ATOM 724 CB LEU A 51 9.839 -15.406 1.053 1.00 0.00 C ATOM 725 CG LEU A 51 11.113 -16.080 0.542 1.00 0.00 C ATOM 726 CD1 LEU A 51 12.265 -15.088 0.508 1.00 0.00 C ATOM 727 CD2 LEU A 51 11.466 -17.281 1.408 1.00 0.00 C ATOM 0 H LEU A 51 8.466 -13.207 2.828 1.00 0.00 H new ATOM 0 HA LEU A 51 10.527 -15.121 3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 51 9.097 -16.180 1.251 1.00 0.00 H new ATOM 0 HB3 LEU A 51 9.440 -14.778 0.257 1.00 0.00 H new ATOM 0 HG LEU A 51 10.933 -16.431 -0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 51 13.163 -15.586 0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 51 12.013 -14.260 -0.155 1.00 0.00 H new ATOM 0 HD13 LEU A 51 12.446 -14.706 1.513 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.375 -17.748 1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.627 -16.954 2.435 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.649 -18.002 1.380 1.00 0.00 H new ATOM 739 N GLY A 52 11.779 -12.997 2.838 1.00 0.00 N ATOM 740 CA GLY A 52 12.610 -11.826 2.627 1.00 0.00 C ATOM 741 C GLY A 52 11.840 -10.671 2.017 1.00 0.00 C ATOM 742 O GLY A 52 11.944 -10.410 0.818 1.00 0.00 O ATOM 0 H GLY A 52 12.014 -13.546 3.665 1.00 0.00 H new ATOM 0 HA2 GLY A 52 13.037 -11.511 3.579 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.443 -12.088 1.975 1.00 0.00 H new ATOM 746 N LYS A 53 11.062 -9.979 2.842 1.00 0.00 N ATOM 747 CA LYS A 53 10.270 -8.846 2.378 1.00 0.00 C ATOM 748 C LYS A 53 9.639 -8.106 3.553 1.00 0.00 C ATOM 749 O LYS A 53 9.457 -8.672 4.631 1.00 0.00 O ATOM 750 CB LYS A 53 9.180 -9.320 1.415 1.00 0.00 C ATOM 751 CG LYS A 53 8.173 -10.262 2.052 1.00 0.00 C ATOM 752 CD LYS A 53 6.997 -10.529 1.127 1.00 0.00 C ATOM 753 CE LYS A 53 7.411 -11.365 -0.074 1.00 0.00 C ATOM 754 NZ LYS A 53 7.277 -12.824 0.194 1.00 0.00 N ATOM 0 H LYS A 53 10.963 -10.183 3.836 1.00 0.00 H new ATOM 0 HA LYS A 53 10.935 -8.160 1.854 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.653 -8.451 1.020 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.648 -9.821 0.568 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.662 -11.204 2.302 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.812 -9.832 2.986 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.210 -11.045 1.677 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.579 -9.582 0.786 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.797 -11.096 -0.933 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.444 -11.137 -0.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.877 -13.355 -0.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.575 -13.027 1.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.285 -13.110 0.068 1.00 0.00 H new ATOM 768 N VAL A 54 9.305 -6.837 3.337 1.00 0.00 N ATOM 769 CA VAL A 54 8.691 -6.021 4.377 1.00 0.00 C ATOM 770 C VAL A 54 7.330 -5.497 3.933 1.00 0.00 C ATOM 771 O VAL A 54 7.163 -5.058 2.794 1.00 0.00 O ATOM 772 CB VAL A 54 9.588 -4.828 4.757 1.00 0.00 C ATOM 773 CG1 VAL A 54 9.012 -4.085 5.953 1.00 0.00 C ATOM 774 CG2 VAL A 54 11.006 -5.299 5.044 1.00 0.00 C ATOM 0 H VAL A 54 9.450 -6.353 2.451 1.00 0.00 H new ATOM 0 HA VAL A 54 8.564 -6.663 5.249 1.00 0.00 H new ATOM 0 HB VAL A 54 9.622 -4.138 3.914 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.660 -3.246 6.206 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.017 -3.714 5.706 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.946 -4.762 6.805 1.00 0.00 H new ATOM 0 HG21 VAL A 54 11.627 -4.444 5.311 1.00 0.00 H new ATOM 0 HG22 VAL A 54 10.993 -6.010 5.870 1.00 0.00 H new ATOM 0 HG23 VAL A 54 11.416 -5.782 4.157 1.00 0.00 H new ATOM 784 N ASP A 55 6.359 -5.545 4.838 1.00 0.00 N ATOM 785 CA ASP A 55 5.011 -5.074 4.541 1.00 0.00 C ATOM 786 C ASP A 55 4.827 -3.631 5.000 1.00 0.00 C ATOM 787 O ASP A 55 4.924 -3.331 6.190 1.00 0.00 O ATOM 788 CB ASP A 55 3.973 -5.973 5.214 1.00 0.00 C ATOM 789 CG ASP A 55 3.707 -7.241 4.426 1.00 0.00 C ATOM 790 OD1 ASP A 55 4.529 -7.578 3.548 1.00 0.00 O ATOM 791 OD2 ASP A 55 2.677 -7.896 4.687 1.00 0.00 O ATOM 0 H ASP A 55 6.480 -5.906 5.784 1.00 0.00 H new ATOM 0 HA ASP A 55 4.868 -5.114 3.461 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.318 -6.236 6.214 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.041 -5.421 5.333 1.00 0.00 H new ATOM 796 N ILE A 56 4.560 -2.742 4.048 1.00 0.00 N ATOM 797 CA ILE A 56 4.362 -1.331 4.355 1.00 0.00 C ATOM 798 C ILE A 56 2.902 -1.040 4.685 1.00 0.00 C ATOM 799 O ILE A 56 2.018 -1.216 3.847 1.00 0.00 O ATOM 800 CB ILE A 56 4.801 -0.433 3.184 1.00 0.00 C ATOM 801 CG1 ILE A 56 6.216 -0.802 2.732 1.00 0.00 C ATOM 802 CG2 ILE A 56 4.732 1.033 3.585 1.00 0.00 C ATOM 803 CD1 ILE A 56 7.269 -0.561 3.790 1.00 0.00 C ATOM 0 H ILE A 56 4.476 -2.974 3.058 1.00 0.00 H new ATOM 0 HA ILE A 56 4.980 -1.108 5.225 1.00 0.00 H new ATOM 0 HB ILE A 56 4.120 -0.593 2.348 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.235 -1.853 2.445 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.467 -0.224 1.842 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.045 1.655 2.746 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.709 1.287 3.862 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.392 1.209 4.434 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.247 -0.844 3.401 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.278 0.495 4.060 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.042 -1.160 4.672 1.00 0.00 H new ATOM 815 N PHE A 57 2.656 -0.593 5.912 1.00 0.00 N ATOM 816 CA PHE A 57 1.303 -0.276 6.354 1.00 0.00 C ATOM 817 C PHE A 57 1.130 1.229 6.539 1.00 0.00 C ATOM 818 O PHE A 57 2.037 1.917 7.008 1.00 0.00 O ATOM 819 CB PHE A 57 0.988 -1.002 7.663 1.00 0.00 C ATOM 820 CG PHE A 57 1.195 -2.488 7.590 1.00 0.00 C ATOM 821 CD1 PHE A 57 2.461 -3.032 7.731 1.00 0.00 C ATOM 822 CD2 PHE A 57 0.123 -3.340 7.379 1.00 0.00 C ATOM 823 CE1 PHE A 57 2.655 -4.399 7.664 1.00 0.00 C ATOM 824 CE2 PHE A 57 0.311 -4.708 7.312 1.00 0.00 C ATOM 825 CZ PHE A 57 1.578 -5.238 7.453 1.00 0.00 C ATOM 0 H PHE A 57 3.376 -0.442 6.618 1.00 0.00 H new ATOM 0 HA PHE A 57 0.608 -0.612 5.584 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.616 -0.594 8.455 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.047 -0.801 7.941 1.00 0.00 H new ATOM 0 HD1 PHE A 57 3.307 -2.380 7.895 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.870 -2.931 7.266 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.647 -4.811 7.776 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.533 -5.362 7.149 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.727 -6.306 7.398 1.00 0.00 H new ATOM 835 N VAL A 58 -0.042 1.734 6.166 1.00 0.00 N ATOM 836 CA VAL A 58 -0.336 3.156 6.291 1.00 0.00 C ATOM 837 C VAL A 58 -0.735 3.512 7.718 1.00 0.00 C ATOM 838 O VAL A 58 -1.838 3.195 8.164 1.00 0.00 O ATOM 839 CB VAL A 58 -1.465 3.582 5.333 1.00 0.00 C ATOM 840 CG1 VAL A 58 -1.740 5.073 5.461 1.00 0.00 C ATOM 841 CG2 VAL A 58 -1.111 3.219 3.899 1.00 0.00 C ATOM 0 H VAL A 58 -0.803 1.179 5.775 1.00 0.00 H new ATOM 0 HA VAL A 58 0.576 3.692 6.028 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.373 3.044 5.607 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.540 5.355 4.777 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.040 5.301 6.484 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.837 5.632 5.214 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.919 3.527 3.236 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.191 3.728 3.611 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.968 2.141 3.821 1.00 0.00 H new ATOM 851 N LYS A 59 0.170 4.173 8.432 1.00 0.00 N ATOM 852 CA LYS A 59 -0.087 4.575 9.810 1.00 0.00 C ATOM 853 C LYS A 59 -0.220 6.091 9.919 1.00 0.00 C ATOM 854 O LYS A 59 0.159 6.824 9.006 1.00 0.00 O ATOM 855 CB LYS A 59 1.039 4.085 10.724 1.00 0.00 C ATOM 856 CG LYS A 59 1.199 2.574 10.734 1.00 0.00 C ATOM 857 CD LYS A 59 0.321 1.928 11.793 1.00 0.00 C ATOM 858 CE LYS A 59 0.808 2.255 13.197 1.00 0.00 C ATOM 859 NZ LYS A 59 0.354 1.244 14.191 1.00 0.00 N ATOM 0 H LYS A 59 1.088 4.442 8.079 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.027 4.122 10.125 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.977 4.539 10.406 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.846 4.429 11.740 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.942 2.173 9.753 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.242 2.319 10.920 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.707 2.271 11.674 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.314 0.847 11.652 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.897 2.305 13.201 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.443 3.240 13.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.706 1.503 15.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.685 1.214 14.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.724 0.308 13.928 1.00 0.00 H new ATOM 873 N ASP A 60 -0.759 6.553 11.042 1.00 0.00 N ATOM 874 CA ASP A 60 -0.940 7.982 11.271 1.00 0.00 C ATOM 875 C ASP A 60 -1.651 8.636 10.091 1.00 0.00 C ATOM 876 O ASP A 60 -1.215 9.672 9.586 1.00 0.00 O ATOM 877 CB ASP A 60 0.412 8.658 11.506 1.00 0.00 C ATOM 878 CG ASP A 60 0.801 8.681 12.971 1.00 0.00 C ATOM 879 OD1 ASP A 60 -0.104 8.802 13.823 1.00 0.00 O ATOM 880 OD2 ASP A 60 2.010 8.578 13.267 1.00 0.00 O ATOM 0 H ASP A 60 -1.078 5.959 11.808 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.559 8.107 12.159 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.180 8.134 10.937 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.375 9.679 11.127 1.00 0.00 H new ATOM 885 N VAL A 61 -2.747 8.025 9.654 1.00 0.00 N ATOM 886 CA VAL A 61 -3.518 8.547 8.532 1.00 0.00 C ATOM 887 C VAL A 61 -4.271 9.813 8.926 1.00 0.00 C ATOM 888 O VAL A 61 -5.365 9.747 9.486 1.00 0.00 O ATOM 889 CB VAL A 61 -4.526 7.506 8.010 1.00 0.00 C ATOM 890 CG1 VAL A 61 -5.416 8.114 6.937 1.00 0.00 C ATOM 891 CG2 VAL A 61 -3.797 6.281 7.478 1.00 0.00 C ATOM 0 H VAL A 61 -3.121 7.167 10.060 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.806 8.781 7.740 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.161 7.193 8.839 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.121 7.363 6.581 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.965 8.958 7.355 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.801 8.457 6.105 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.524 5.555 7.113 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.137 6.576 6.662 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.207 5.833 8.278 1.00 0.00 H new ATOM 901 N GLN A 62 -3.678 10.965 8.628 1.00 0.00 N ATOM 902 CA GLN A 62 -4.293 12.247 8.952 1.00 0.00 C ATOM 903 C GLN A 62 -5.740 12.292 8.474 1.00 0.00 C ATOM 904 O GLN A 62 -6.036 12.108 7.293 1.00 0.00 O ATOM 905 CB GLN A 62 -3.499 13.391 8.320 1.00 0.00 C ATOM 906 CG GLN A 62 -2.288 13.814 9.135 1.00 0.00 C ATOM 907 CD GLN A 62 -1.809 15.210 8.787 1.00 0.00 C ATOM 908 OE1 GLN A 62 -1.235 15.435 7.721 1.00 0.00 O ATOM 909 NE2 GLN A 62 -2.043 16.158 9.688 1.00 0.00 N ATOM 0 H GLN A 62 -2.773 11.037 8.163 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.284 12.363 10.036 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -3.170 13.088 7.326 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -4.157 14.250 8.190 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.536 13.773 10.196 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.478 13.104 8.970 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.522 15.927 10.558 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.744 17.117 9.509 1.00 0.00 H new ATOM 918 N PRO A 63 -6.666 12.541 9.412 1.00 0.00 N ATOM 919 CA PRO A 63 -8.099 12.616 9.110 1.00 0.00 C ATOM 920 C PRO A 63 -8.454 13.852 8.290 1.00 0.00 C ATOM 921 O PRO A 63 -9.594 14.015 7.857 1.00 0.00 O ATOM 922 CB PRO A 63 -8.750 12.687 10.493 1.00 0.00 C ATOM 923 CG PRO A 63 -7.699 13.266 11.377 1.00 0.00 C ATOM 924 CD PRO A 63 -6.386 12.770 10.839 1.00 0.00 C ATOM 0 HA PRO A 63 -8.434 11.770 8.509 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -9.643 13.311 10.479 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -9.057 11.699 10.837 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -7.738 14.355 11.368 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -7.841 12.951 12.411 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.592 13.503 10.980 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.067 11.855 11.338 1.00 0.00 H new ATOM 932 N GLY A 64 -7.470 14.721 8.080 1.00 0.00 N ATOM 933 CA GLY A 64 -7.700 15.931 7.313 1.00 0.00 C ATOM 934 C GLY A 64 -6.552 16.250 6.376 1.00 0.00 C ATOM 935 O GLY A 64 -5.991 17.345 6.421 1.00 0.00 O ATOM 0 H GLY A 64 -6.518 14.608 8.427 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.617 15.822 6.735 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.851 16.767 7.996 1.00 0.00 H new ATOM 939 N SER A 65 -6.200 15.291 5.525 1.00 0.00 N ATOM 940 CA SER A 65 -5.107 15.474 4.577 1.00 0.00 C ATOM 941 C SER A 65 -5.327 14.629 3.326 1.00 0.00 C ATOM 942 O SER A 65 -6.090 13.663 3.341 1.00 0.00 O ATOM 943 CB SER A 65 -3.772 15.105 5.228 1.00 0.00 C ATOM 944 OG SER A 65 -3.262 16.183 5.993 1.00 0.00 O ATOM 0 H SER A 65 -6.656 14.380 5.473 1.00 0.00 H new ATOM 0 HA SER A 65 -5.083 16.524 4.286 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.905 14.232 5.867 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.052 14.829 4.457 1.00 0.00 H new ATOM 0 HG SER A 65 -2.470 15.887 6.489 1.00 0.00 H new ATOM 950 N VAL A 66 -4.652 15.001 2.243 1.00 0.00 N ATOM 951 CA VAL A 66 -4.771 14.278 0.982 1.00 0.00 C ATOM 952 C VAL A 66 -4.901 12.777 1.220 1.00 0.00 C ATOM 953 O VAL A 66 -5.642 12.090 0.518 1.00 0.00 O ATOM 954 CB VAL A 66 -3.559 14.539 0.069 1.00 0.00 C ATOM 955 CG1 VAL A 66 -2.273 14.091 0.746 1.00 0.00 C ATOM 956 CG2 VAL A 66 -3.739 13.837 -1.269 1.00 0.00 C ATOM 0 H VAL A 66 -4.017 15.799 2.213 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.672 14.645 0.490 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.490 15.611 -0.115 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.428 14.284 0.085 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.140 14.644 1.676 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.328 13.024 0.963 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.873 14.032 -1.902 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.835 12.763 -1.107 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.638 14.212 -1.758 1.00 0.00 H new ATOM 966 N ALA A 67 -4.175 12.276 2.214 1.00 0.00 N ATOM 967 CA ALA A 67 -4.211 10.857 2.546 1.00 0.00 C ATOM 968 C ALA A 67 -5.615 10.288 2.370 1.00 0.00 C ATOM 969 O ALA A 67 -5.825 9.360 1.588 1.00 0.00 O ATOM 970 CB ALA A 67 -3.724 10.636 3.970 1.00 0.00 C ATOM 0 H ALA A 67 -3.555 12.832 2.803 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.546 10.331 1.861 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.756 9.572 4.205 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.700 10.998 4.065 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.366 11.180 4.663 1.00 0.00 H new ATOM 976 N ASP A 68 -6.571 10.848 3.101 1.00 0.00 N ATOM 977 CA ASP A 68 -7.956 10.396 3.026 1.00 0.00 C ATOM 978 C ASP A 68 -8.830 11.436 2.333 1.00 0.00 C ATOM 979 O ASP A 68 -9.481 11.145 1.329 1.00 0.00 O ATOM 980 CB ASP A 68 -8.498 10.107 4.426 1.00 0.00 C ATOM 981 CG ASP A 68 -9.576 9.042 4.422 1.00 0.00 C ATOM 982 OD1 ASP A 68 -9.562 8.187 3.512 1.00 0.00 O ATOM 983 OD2 ASP A 68 -10.434 9.062 5.329 1.00 0.00 O ATOM 0 H ASP A 68 -6.413 11.616 3.753 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.981 9.478 2.439 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.679 9.788 5.071 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -8.901 11.025 4.853 1.00 0.00 H new ATOM 988 N ARG A 69 -8.841 12.649 2.876 1.00 0.00 N ATOM 989 CA ARG A 69 -9.637 13.732 2.311 1.00 0.00 C ATOM 990 C ARG A 69 -9.664 13.649 0.788 1.00 0.00 C ATOM 991 O ARG A 69 -10.644 14.039 0.152 1.00 0.00 O ATOM 992 CB ARG A 69 -9.078 15.087 2.749 1.00 0.00 C ATOM 993 CG ARG A 69 -7.933 15.583 1.881 1.00 0.00 C ATOM 994 CD ARG A 69 -7.240 16.783 2.506 1.00 0.00 C ATOM 995 NE ARG A 69 -7.872 18.042 2.121 1.00 0.00 N ATOM 996 CZ ARG A 69 -7.699 19.183 2.779 1.00 0.00 C ATOM 997 NH1 ARG A 69 -6.915 19.223 3.848 1.00 0.00 N ATOM 998 NH2 ARG A 69 -8.309 20.287 2.368 1.00 0.00 N ATOM 0 H ARG A 69 -8.308 12.906 3.706 1.00 0.00 H new ATOM 0 HA ARG A 69 -10.657 13.631 2.681 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -9.881 15.824 2.733 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -8.735 15.012 3.781 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.211 14.780 1.735 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.313 15.853 0.896 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.256 16.686 3.592 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.193 16.795 2.203 1.00 0.00 H new ATOM 0 HE ARG A 69 -8.480 18.045 1.302 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.443 18.377 4.167 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -6.784 20.100 4.352 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -8.912 20.261 1.546 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.175 21.162 2.874 1.00 0.00 H new ATOM 1012 N ASP A 70 -8.582 13.141 0.209 1.00 0.00 N ATOM 1013 CA ASP A 70 -8.482 13.007 -1.240 1.00 0.00 C ATOM 1014 C ASP A 70 -9.245 11.779 -1.726 1.00 0.00 C ATOM 1015 O ASP A 70 -10.277 11.899 -2.387 1.00 0.00 O ATOM 1016 CB ASP A 70 -7.016 12.912 -1.665 1.00 0.00 C ATOM 1017 CG ASP A 70 -6.787 13.420 -3.075 1.00 0.00 C ATOM 1018 OD1 ASP A 70 -7.196 14.563 -3.368 1.00 0.00 O ATOM 1019 OD2 ASP A 70 -6.200 12.674 -3.886 1.00 0.00 O ATOM 0 H ASP A 70 -7.762 12.815 0.720 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.927 13.893 -1.693 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.402 13.486 -0.971 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.688 11.875 -1.598 1.00 0.00 H new ATOM 1024 N GLN A 71 -8.731 10.599 -1.395 1.00 0.00 N ATOM 1025 CA GLN A 71 -9.363 9.349 -1.800 1.00 0.00 C ATOM 1026 C GLN A 71 -9.481 8.391 -0.619 1.00 0.00 C ATOM 1027 O GLN A 71 -8.880 8.610 0.433 1.00 0.00 O ATOM 1028 CB GLN A 71 -8.567 8.692 -2.928 1.00 0.00 C ATOM 1029 CG GLN A 71 -9.435 7.972 -3.947 1.00 0.00 C ATOM 1030 CD GLN A 71 -9.850 8.868 -5.097 1.00 0.00 C ATOM 1031 OE1 GLN A 71 -10.308 9.992 -4.890 1.00 0.00 O ATOM 1032 NE2 GLN A 71 -9.692 8.374 -6.320 1.00 0.00 N ATOM 0 H GLN A 71 -7.878 10.482 -0.847 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.366 9.578 -2.160 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -7.979 9.455 -3.438 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.862 7.981 -2.497 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.891 7.112 -4.339 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.326 7.587 -3.452 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.309 7.437 -6.446 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.954 8.931 -7.133 1.00 0.00 H new ATOM 1041 N ARG A 72 -10.259 7.329 -0.801 1.00 0.00 N ATOM 1042 CA ARG A 72 -10.456 6.338 0.250 1.00 0.00 C ATOM 1043 C ARG A 72 -9.124 5.732 0.683 1.00 0.00 C ATOM 1044 O ARG A 72 -8.371 5.209 -0.139 1.00 0.00 O ATOM 1045 CB ARG A 72 -11.399 5.233 -0.231 1.00 0.00 C ATOM 1046 CG ARG A 72 -11.388 3.996 0.651 1.00 0.00 C ATOM 1047 CD ARG A 72 -12.336 2.929 0.126 1.00 0.00 C ATOM 1048 NE ARG A 72 -12.705 1.967 1.161 1.00 0.00 N ATOM 1049 CZ ARG A 72 -13.624 2.204 2.090 1.00 0.00 C ATOM 1050 NH1 ARG A 72 -14.265 3.364 2.113 1.00 0.00 N ATOM 1051 NH2 ARG A 72 -13.905 1.278 2.999 1.00 0.00 N ATOM 0 H ARG A 72 -10.763 7.133 -1.666 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.903 6.840 1.108 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -12.414 5.628 -0.276 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -11.123 4.948 -1.246 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -10.377 3.593 0.701 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.673 4.270 1.667 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -13.236 3.404 -0.265 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -11.866 2.404 -0.706 1.00 0.00 H new ATOM 0 HE ARG A 72 -12.231 1.064 1.171 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -14.053 4.078 1.416 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -14.970 3.543 2.828 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -13.415 0.384 2.984 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -14.611 1.461 3.712 1.00 0.00 H new ATOM 1065 N LEU A 73 -8.841 5.806 1.979 1.00 0.00 N ATOM 1066 CA LEU A 73 -7.599 5.265 2.522 1.00 0.00 C ATOM 1067 C LEU A 73 -7.715 5.041 4.027 1.00 0.00 C ATOM 1068 O LEU A 73 -7.909 5.985 4.793 1.00 0.00 O ATOM 1069 CB LEU A 73 -6.434 6.211 2.224 1.00 0.00 C ATOM 1070 CG LEU A 73 -5.061 5.556 2.069 1.00 0.00 C ATOM 1071 CD1 LEU A 73 -4.085 6.513 1.403 1.00 0.00 C ATOM 1072 CD2 LEU A 73 -4.530 5.105 3.422 1.00 0.00 C ATOM 0 H LEU A 73 -9.454 6.235 2.673 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.410 4.304 2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.660 6.756 1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.375 6.947 3.026 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.168 4.678 1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.113 6.029 1.301 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.459 6.786 0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.982 7.410 2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.552 4.641 3.293 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.438 5.967 4.083 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.219 4.383 3.861 1.00 0.00 H new ATOM 1084 N LYS A 74 -7.593 3.786 4.444 1.00 0.00 N ATOM 1085 CA LYS A 74 -7.680 3.437 5.857 1.00 0.00 C ATOM 1086 C LYS A 74 -6.300 3.127 6.427 1.00 0.00 C ATOM 1087 O LYS A 74 -5.347 2.903 5.681 1.00 0.00 O ATOM 1088 CB LYS A 74 -8.605 2.233 6.050 1.00 0.00 C ATOM 1089 CG LYS A 74 -9.948 2.381 5.356 1.00 0.00 C ATOM 1090 CD LYS A 74 -10.975 3.039 6.262 1.00 0.00 C ATOM 1091 CE LYS A 74 -11.496 2.068 7.311 1.00 0.00 C ATOM 1092 NZ LYS A 74 -12.417 1.057 6.721 1.00 0.00 N ATOM 0 H LYS A 74 -7.433 2.993 3.823 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.091 4.293 6.392 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.107 1.339 5.674 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.771 2.080 7.116 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.827 2.975 4.450 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.309 1.400 5.048 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.527 3.902 6.754 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.807 3.409 5.662 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.656 1.561 7.786 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.017 2.622 8.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.919 0.558 7.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.107 1.533 6.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.869 0.373 6.161 1.00 0.00 H new ATOM 1106 N GLU A 75 -6.201 3.113 7.753 1.00 0.00 N ATOM 1107 CA GLU A 75 -4.937 2.830 8.421 1.00 0.00 C ATOM 1108 C GLU A 75 -4.596 1.345 8.334 1.00 0.00 C ATOM 1109 O GLU A 75 -5.454 0.518 8.027 1.00 0.00 O ATOM 1110 CB GLU A 75 -5.000 3.264 9.887 1.00 0.00 C ATOM 1111 CG GLU A 75 -3.649 3.648 10.467 1.00 0.00 C ATOM 1112 CD GLU A 75 -3.771 4.415 11.769 1.00 0.00 C ATOM 1113 OE1 GLU A 75 -4.200 3.812 12.775 1.00 0.00 O ATOM 1114 OE2 GLU A 75 -3.436 5.618 11.783 1.00 0.00 O ATOM 0 H GLU A 75 -6.981 3.294 8.385 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.154 3.396 7.915 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.679 4.112 9.977 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.423 2.453 10.479 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.060 2.746 10.634 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.105 4.254 9.742 1.00 0.00 H new ATOM 1121 N ASN A 76 -3.338 1.015 8.606 1.00 0.00 N ATOM 1122 CA ASN A 76 -2.883 -0.370 8.557 1.00 0.00 C ATOM 1123 C ASN A 76 -3.079 -0.958 7.163 1.00 0.00 C ATOM 1124 O ASN A 76 -3.205 -2.172 7.003 1.00 0.00 O ATOM 1125 CB ASN A 76 -3.635 -1.212 9.589 1.00 0.00 C ATOM 1126 CG ASN A 76 -3.570 -0.614 10.981 1.00 0.00 C ATOM 1127 OD1 ASN A 76 -2.529 -0.652 11.637 1.00 0.00 O ATOM 1128 ND2 ASN A 76 -4.686 -0.059 11.439 1.00 0.00 N ATOM 0 H ASN A 76 -2.615 1.687 8.863 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.819 -0.386 8.792 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -4.678 -1.307 9.286 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.215 -2.218 9.609 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -4.703 0.359 12.369 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -5.526 -0.050 10.860 1.00 0.00 H new ATOM 1135 N ASP A 77 -3.104 -0.090 6.158 1.00 0.00 N ATOM 1136 CA ASP A 77 -3.284 -0.523 4.777 1.00 0.00 C ATOM 1137 C ASP A 77 -1.964 -1.007 4.184 1.00 0.00 C ATOM 1138 O ASP A 77 -1.105 -0.205 3.820 1.00 0.00 O ATOM 1139 CB ASP A 77 -3.848 0.619 3.932 1.00 0.00 C ATOM 1140 CG ASP A 77 -5.363 0.671 3.966 1.00 0.00 C ATOM 1141 OD1 ASP A 77 -5.977 -0.273 4.506 1.00 0.00 O ATOM 1142 OD2 ASP A 77 -5.935 1.656 3.455 1.00 0.00 O ATOM 0 H ASP A 77 -3.002 0.918 6.274 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.991 -1.353 4.771 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.447 1.566 4.292 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.514 0.503 2.901 1.00 0.00 H new ATOM 1147 N GLN A 78 -1.811 -2.324 4.092 1.00 0.00 N ATOM 1148 CA GLN A 78 -0.596 -2.915 3.544 1.00 0.00 C ATOM 1149 C GLN A 78 -0.452 -2.590 2.061 1.00 0.00 C ATOM 1150 O GLN A 78 -1.080 -3.225 1.213 1.00 0.00 O ATOM 1151 CB GLN A 78 -0.604 -4.431 3.747 1.00 0.00 C ATOM 1152 CG GLN A 78 0.785 -5.042 3.828 1.00 0.00 C ATOM 1153 CD GLN A 78 0.827 -6.467 3.312 1.00 0.00 C ATOM 1154 OE1 GLN A 78 0.160 -7.353 3.846 1.00 0.00 O ATOM 1155 NE2 GLN A 78 1.615 -6.696 2.267 1.00 0.00 N ATOM 0 H GLN A 78 -2.513 -3.002 4.390 1.00 0.00 H new ATOM 0 HA GLN A 78 0.255 -2.489 4.075 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -1.148 -4.664 4.663 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.149 -4.896 2.926 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.481 -4.431 3.253 1.00 0.00 H new ATOM 0 HG3 GLN A 78 1.126 -5.024 4.863 1.00 0.00 H new ATOM 0 HE21 GLN A 78 2.151 -5.932 1.855 1.00 0.00 H new ATOM 0 HE22 GLN A 78 1.684 -7.636 1.877 1.00 0.00 H new ATOM 1164 N ILE A 79 0.376 -1.597 1.756 1.00 0.00 N ATOM 1165 CA ILE A 79 0.602 -1.188 0.375 1.00 0.00 C ATOM 1166 C ILE A 79 1.370 -2.256 -0.396 1.00 0.00 C ATOM 1167 O ILE A 79 2.557 -2.480 -0.152 1.00 0.00 O ATOM 1168 CB ILE A 79 1.377 0.141 0.301 1.00 0.00 C ATOM 1169 CG1 ILE A 79 0.701 1.200 1.173 1.00 0.00 C ATOM 1170 CG2 ILE A 79 1.476 0.617 -1.141 1.00 0.00 C ATOM 1171 CD1 ILE A 79 1.382 2.550 1.121 1.00 0.00 C ATOM 0 H ILE A 79 0.902 -1.061 2.446 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.380 -1.052 -0.079 1.00 0.00 H new ATOM 0 HB ILE A 79 2.386 -0.022 0.679 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.336 1.313 0.856 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.682 0.851 2.205 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.026 1.557 -1.177 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.998 -0.132 -1.736 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.474 0.767 -1.544 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.849 3.251 1.763 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.411 2.452 1.467 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.377 2.921 0.096 1.00 0.00 H new ATOM 1183 N LEU A 80 0.687 -2.911 -1.328 1.00 0.00 N ATOM 1184 CA LEU A 80 1.306 -3.955 -2.137 1.00 0.00 C ATOM 1185 C LEU A 80 2.239 -3.353 -3.183 1.00 0.00 C ATOM 1186 O LEU A 80 3.392 -3.764 -3.311 1.00 0.00 O ATOM 1187 CB LEU A 80 0.231 -4.801 -2.823 1.00 0.00 C ATOM 1188 CG LEU A 80 -0.753 -5.516 -1.896 1.00 0.00 C ATOM 1189 CD1 LEU A 80 -1.725 -6.364 -2.701 1.00 0.00 C ATOM 1190 CD2 LEU A 80 -0.006 -6.373 -0.884 1.00 0.00 C ATOM 0 H LEU A 80 -0.295 -2.738 -1.542 1.00 0.00 H new ATOM 0 HA LEU A 80 1.894 -4.591 -1.476 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.336 -4.157 -3.495 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.726 -5.550 -3.442 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.324 -4.763 -1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.417 -6.865 -2.024 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.284 -5.726 -3.385 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.171 -7.110 -3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.722 -6.874 -0.233 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.591 -7.119 -1.409 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.649 -5.741 -0.285 1.00 0.00 H new ATOM 1202 N ALA A 81 1.732 -2.375 -3.927 1.00 0.00 N ATOM 1203 CA ALA A 81 2.521 -1.713 -4.958 1.00 0.00 C ATOM 1204 C ALA A 81 2.404 -0.197 -4.850 1.00 0.00 C ATOM 1205 O ALA A 81 1.383 0.326 -4.401 1.00 0.00 O ATOM 1206 CB ALA A 81 2.085 -2.181 -6.339 1.00 0.00 C ATOM 0 H ALA A 81 0.779 -2.024 -3.835 1.00 0.00 H new ATOM 0 HA ALA A 81 3.567 -1.982 -4.809 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.683 -1.678 -7.099 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.227 -3.259 -6.420 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.032 -1.942 -6.489 1.00 0.00 H new ATOM 1212 N ILE A 82 3.455 0.504 -5.263 1.00 0.00 N ATOM 1213 CA ILE A 82 3.468 1.961 -5.213 1.00 0.00 C ATOM 1214 C ILE A 82 3.943 2.552 -6.536 1.00 0.00 C ATOM 1215 O ILE A 82 5.071 2.313 -6.964 1.00 0.00 O ATOM 1216 CB ILE A 82 4.373 2.476 -4.078 1.00 0.00 C ATOM 1217 CG1 ILE A 82 3.844 2.008 -2.721 1.00 0.00 C ATOM 1218 CG2 ILE A 82 4.466 3.994 -4.122 1.00 0.00 C ATOM 1219 CD1 ILE A 82 4.833 2.191 -1.591 1.00 0.00 C ATOM 0 H ILE A 82 4.308 0.087 -5.636 1.00 0.00 H new ATOM 0 HA ILE A 82 2.443 2.280 -5.023 1.00 0.00 H new ATOM 0 HB ILE A 82 5.373 2.066 -4.217 1.00 0.00 H new ATOM 0 HG12 ILE A 82 2.932 2.557 -2.487 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.574 0.954 -2.789 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.109 4.343 -3.314 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.885 4.305 -5.079 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.471 4.423 -4.005 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.391 1.838 -0.659 1.00 0.00 H new ATOM 0 HD12 ILE A 82 5.737 1.620 -1.803 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.085 3.247 -1.496 1.00 0.00 H new ATOM 1231 N ASN A 83 3.075 3.327 -7.177 1.00 0.00 N ATOM 1232 CA ASN A 83 3.406 3.955 -8.451 1.00 0.00 C ATOM 1233 C ASN A 83 3.774 2.905 -9.495 1.00 0.00 C ATOM 1234 O ASN A 83 4.818 2.996 -10.141 1.00 0.00 O ATOM 1235 CB ASN A 83 4.563 4.940 -8.272 1.00 0.00 C ATOM 1236 CG ASN A 83 4.132 6.218 -7.579 1.00 0.00 C ATOM 1237 OD1 ASN A 83 4.504 6.472 -6.433 1.00 0.00 O ATOM 1238 ND2 ASN A 83 3.343 7.031 -8.272 1.00 0.00 N ATOM 0 H ASN A 83 2.137 3.535 -6.835 1.00 0.00 H new ATOM 0 HA ASN A 83 2.527 4.497 -8.800 1.00 0.00 H new ATOM 0 HB2 ASN A 83 5.355 4.465 -7.693 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.984 5.183 -9.248 1.00 0.00 H new ATOM 0 HD21 ASN A 83 3.021 7.905 -7.857 1.00 0.00 H new ATOM 0 HD22 ASN A 83 3.059 6.781 -9.219 1.00 0.00 H new ATOM 1245 N HIS A 84 2.908 1.909 -9.655 1.00 0.00 N ATOM 1246 CA HIS A 84 3.141 0.842 -10.622 1.00 0.00 C ATOM 1247 C HIS A 84 4.431 0.093 -10.304 1.00 0.00 C ATOM 1248 O HIS A 84 5.309 -0.043 -11.157 1.00 0.00 O ATOM 1249 CB HIS A 84 3.205 1.414 -12.039 1.00 0.00 C ATOM 1250 CG HIS A 84 3.325 0.366 -13.102 1.00 0.00 C ATOM 1251 ND1 HIS A 84 4.042 0.553 -14.266 1.00 0.00 N ATOM 1252 CD2 HIS A 84 2.816 -0.886 -13.173 1.00 0.00 C ATOM 1253 CE1 HIS A 84 3.966 -0.538 -15.007 1.00 0.00 C ATOM 1254 NE2 HIS A 84 3.228 -1.426 -14.366 1.00 0.00 N ATOM 0 H HIS A 84 2.039 1.819 -9.128 1.00 0.00 H new ATOM 0 HA HIS A 84 2.309 0.140 -10.559 1.00 0.00 H new ATOM 0 HB2 HIS A 84 2.309 2.007 -12.224 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.056 2.092 -12.111 1.00 0.00 H new ATOM 0 HD2 HIS A 84 2.200 -1.370 -12.429 1.00 0.00 H new ATOM 0 HE1 HIS A 84 4.429 -0.680 -15.973 1.00 0.00 H new ATOM 0 HE2 HIS A 84 3.001 -2.362 -14.703 1.00 0.00 H new ATOM 1263 N THR A 85 4.540 -0.391 -9.071 1.00 0.00 N ATOM 1264 CA THR A 85 5.723 -1.125 -8.639 1.00 0.00 C ATOM 1265 C THR A 85 5.474 -1.843 -7.318 1.00 0.00 C ATOM 1266 O THR A 85 5.363 -1.225 -6.259 1.00 0.00 O ATOM 1267 CB THR A 85 6.937 -0.190 -8.481 1.00 0.00 C ATOM 1268 OG1 THR A 85 7.287 0.378 -9.748 1.00 0.00 O ATOM 1269 CG2 THR A 85 8.129 -0.943 -7.909 1.00 0.00 C ATOM 0 H THR A 85 3.823 -0.288 -8.353 1.00 0.00 H new ATOM 0 HA THR A 85 5.938 -1.861 -9.414 1.00 0.00 H new ATOM 0 HB THR A 85 6.666 0.608 -7.789 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.800 -0.087 -10.460 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.974 -0.262 -7.806 1.00 0.00 H new ATOM 0 HG22 THR A 85 7.868 -1.348 -6.931 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.400 -1.759 -8.579 1.00 0.00 H new ATOM 1277 N PRO A 86 5.383 -3.180 -7.378 1.00 0.00 N ATOM 1278 CA PRO A 86 5.146 -4.012 -6.195 1.00 0.00 C ATOM 1279 C PRO A 86 6.347 -4.038 -5.255 1.00 0.00 C ATOM 1280 O PRO A 86 7.496 -4.051 -5.700 1.00 0.00 O ATOM 1281 CB PRO A 86 4.897 -5.403 -6.782 1.00 0.00 C ATOM 1282 CG PRO A 86 5.605 -5.392 -8.093 1.00 0.00 C ATOM 1283 CD PRO A 86 5.505 -3.983 -8.607 1.00 0.00 C ATOM 0 HA PRO A 86 4.320 -3.636 -5.592 1.00 0.00 H new ATOM 0 HB2 PRO A 86 5.286 -6.184 -6.129 1.00 0.00 H new ATOM 0 HB3 PRO A 86 3.831 -5.594 -6.909 1.00 0.00 H new ATOM 0 HG2 PRO A 86 6.647 -5.692 -7.976 1.00 0.00 H new ATOM 0 HG3 PRO A 86 5.147 -6.095 -8.789 1.00 0.00 H new ATOM 0 HD2 PRO A 86 6.386 -3.702 -9.185 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.641 -3.853 -9.259 1.00 0.00 H new ATOM 1291 N LEU A 87 6.075 -4.045 -3.955 1.00 0.00 N ATOM 1292 CA LEU A 87 7.134 -4.070 -2.952 1.00 0.00 C ATOM 1293 C LEU A 87 7.494 -5.504 -2.576 1.00 0.00 C ATOM 1294 O LEU A 87 7.831 -5.789 -1.427 1.00 0.00 O ATOM 1295 CB LEU A 87 6.700 -3.298 -1.705 1.00 0.00 C ATOM 1296 CG LEU A 87 5.946 -1.991 -1.953 1.00 0.00 C ATOM 1297 CD1 LEU A 87 5.485 -1.383 -0.637 1.00 0.00 C ATOM 1298 CD2 LEU A 87 6.818 -1.009 -2.720 1.00 0.00 C ATOM 0 H LEU A 87 5.130 -4.034 -3.571 1.00 0.00 H new ATOM 0 HA LEU A 87 8.016 -3.593 -3.379 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.069 -3.949 -1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.588 -3.075 -1.113 1.00 0.00 H new ATOM 0 HG LEU A 87 5.065 -2.211 -2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.950 -0.454 -0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.823 -2.082 -0.126 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.351 -1.178 -0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.265 -0.085 -2.887 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.718 -0.794 -2.143 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.097 -1.443 -3.680 1.00 0.00 H new ATOM 1310 N ASP A 88 7.423 -6.401 -3.553 1.00 0.00 N ATOM 1311 CA ASP A 88 7.745 -7.805 -3.326 1.00 0.00 C ATOM 1312 C ASP A 88 9.152 -7.955 -2.756 1.00 0.00 C ATOM 1313 O ASP A 88 9.867 -6.969 -2.577 1.00 0.00 O ATOM 1314 CB ASP A 88 7.623 -8.596 -4.630 1.00 0.00 C ATOM 1315 CG ASP A 88 8.563 -8.087 -5.706 1.00 0.00 C ATOM 1316 OD1 ASP A 88 8.543 -6.870 -5.984 1.00 0.00 O ATOM 1317 OD2 ASP A 88 9.319 -8.906 -6.268 1.00 0.00 O ATOM 0 H ASP A 88 7.145 -6.181 -4.510 1.00 0.00 H new ATOM 0 HA ASP A 88 7.034 -8.202 -2.601 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.834 -9.647 -4.435 1.00 0.00 H new ATOM 0 HB3 ASP A 88 6.596 -8.539 -4.992 1.00 0.00 H new ATOM 1322 N GLN A 89 9.541 -9.194 -2.472 1.00 0.00 N ATOM 1323 CA GLN A 89 10.862 -9.471 -1.920 1.00 0.00 C ATOM 1324 C GLN A 89 11.934 -8.654 -2.635 1.00 0.00 C ATOM 1325 O GLN A 89 12.942 -8.279 -2.039 1.00 0.00 O ATOM 1326 CB GLN A 89 11.182 -10.963 -2.033 1.00 0.00 C ATOM 1327 CG GLN A 89 11.669 -11.378 -3.412 1.00 0.00 C ATOM 1328 CD GLN A 89 13.110 -10.984 -3.666 1.00 0.00 C ATOM 1329 OE1 GLN A 89 13.782 -10.444 -2.787 1.00 0.00 O ATOM 1330 NE2 GLN A 89 13.594 -11.253 -4.873 1.00 0.00 N ATOM 0 H GLN A 89 8.961 -10.021 -2.615 1.00 0.00 H new ATOM 0 HA GLN A 89 10.855 -9.186 -0.868 1.00 0.00 H new ATOM 0 HB2 GLN A 89 11.943 -11.220 -1.296 1.00 0.00 H new ATOM 0 HB3 GLN A 89 10.290 -11.537 -1.784 1.00 0.00 H new ATOM 0 HG2 GLN A 89 11.568 -12.458 -3.519 1.00 0.00 H new ATOM 0 HG3 GLN A 89 11.033 -10.922 -4.170 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.002 -11.702 -5.572 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.558 -11.011 -5.101 1.00 0.00 H new ATOM 1339 N ASN A 90 11.707 -8.382 -3.916 1.00 0.00 N ATOM 1340 CA ASN A 90 12.654 -7.610 -4.713 1.00 0.00 C ATOM 1341 C ASN A 90 12.924 -6.253 -4.071 1.00 0.00 C ATOM 1342 O ASN A 90 14.065 -5.791 -4.029 1.00 0.00 O ATOM 1343 CB ASN A 90 12.119 -7.418 -6.133 1.00 0.00 C ATOM 1344 CG ASN A 90 12.479 -8.573 -7.048 1.00 0.00 C ATOM 1345 OD1 ASN A 90 11.608 -9.322 -7.491 1.00 0.00 O ATOM 1346 ND2 ASN A 90 13.767 -8.722 -7.334 1.00 0.00 N ATOM 0 H ASN A 90 10.876 -8.684 -4.424 1.00 0.00 H new ATOM 0 HA ASN A 90 13.591 -8.164 -4.757 1.00 0.00 H new ATOM 0 HB2 ASN A 90 11.035 -7.310 -6.098 1.00 0.00 H new ATOM 0 HB3 ASN A 90 12.519 -6.492 -6.547 1.00 0.00 H new ATOM 0 HD21 ASN A 90 14.069 -9.482 -7.944 1.00 0.00 H new ATOM 0 HD22 ASN A 90 14.454 -8.077 -6.944 1.00 0.00 H new ATOM 1353 N ILE A 91 11.868 -5.619 -3.572 1.00 0.00 N ATOM 1354 CA ILE A 91 11.992 -4.316 -2.931 1.00 0.00 C ATOM 1355 C ILE A 91 11.778 -4.422 -1.425 1.00 0.00 C ATOM 1356 O ILE A 91 10.893 -5.142 -0.962 1.00 0.00 O ATOM 1357 CB ILE A 91 10.986 -3.305 -3.512 1.00 0.00 C ATOM 1358 CG1 ILE A 91 11.593 -2.583 -4.716 1.00 0.00 C ATOM 1359 CG2 ILE A 91 10.564 -2.305 -2.445 1.00 0.00 C ATOM 1360 CD1 ILE A 91 10.715 -1.481 -5.266 1.00 0.00 C ATOM 0 H ILE A 91 10.917 -5.987 -3.599 1.00 0.00 H new ATOM 0 HA ILE A 91 13.004 -3.962 -3.127 1.00 0.00 H new ATOM 0 HB ILE A 91 10.101 -3.846 -3.845 1.00 0.00 H new ATOM 0 HG12 ILE A 91 12.555 -2.160 -4.428 1.00 0.00 H new ATOM 0 HG13 ILE A 91 11.787 -3.310 -5.505 1.00 0.00 H new ATOM 0 HG21 ILE A 91 9.853 -1.597 -2.871 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.096 -2.834 -1.615 1.00 0.00 H new ATOM 0 HG23 ILE A 91 11.440 -1.766 -2.084 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.209 -1.013 -6.118 1.00 0.00 H new ATOM 0 HD12 ILE A 91 9.761 -1.901 -5.585 1.00 0.00 H new ATOM 0 HD13 ILE A 91 10.541 -0.734 -4.492 1.00 0.00 H new ATOM 1372 N SER A 92 12.592 -3.697 -0.664 1.00 0.00 N ATOM 1373 CA SER A 92 12.494 -3.711 0.790 1.00 0.00 C ATOM 1374 C SER A 92 11.663 -2.532 1.289 1.00 0.00 C ATOM 1375 O SER A 92 11.096 -1.778 0.498 1.00 0.00 O ATOM 1376 CB SER A 92 13.888 -3.667 1.418 1.00 0.00 C ATOM 1377 OG SER A 92 14.610 -4.854 1.138 1.00 0.00 O ATOM 0 H SER A 92 13.327 -3.092 -1.031 1.00 0.00 H new ATOM 0 HA SER A 92 11.999 -4.636 1.087 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.436 -2.806 1.036 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.801 -3.536 2.497 1.00 0.00 H new ATOM 0 HG SER A 92 15.498 -4.801 1.549 1.00 0.00 H new ATOM 1383 N HIS A 93 11.594 -2.381 2.608 1.00 0.00 N ATOM 1384 CA HIS A 93 10.833 -1.294 3.214 1.00 0.00 C ATOM 1385 C HIS A 93 11.384 0.061 2.783 1.00 0.00 C ATOM 1386 O HIS A 93 10.633 0.941 2.362 1.00 0.00 O ATOM 1387 CB HIS A 93 10.864 -1.410 4.739 1.00 0.00 C ATOM 1388 CG HIS A 93 11.992 -0.656 5.373 1.00 0.00 C ATOM 1389 ND1 HIS A 93 13.163 -1.257 5.784 1.00 0.00 N ATOM 1390 CD2 HIS A 93 12.124 0.660 5.665 1.00 0.00 C ATOM 1391 CE1 HIS A 93 13.965 -0.345 6.303 1.00 0.00 C ATOM 1392 NE2 HIS A 93 13.359 0.827 6.242 1.00 0.00 N ATOM 0 H HIS A 93 12.055 -2.997 3.277 1.00 0.00 H new ATOM 0 HA HIS A 93 9.801 -1.371 2.872 1.00 0.00 H new ATOM 0 HB2 HIS A 93 9.920 -1.043 5.143 1.00 0.00 H new ATOM 0 HB3 HIS A 93 10.941 -2.462 5.014 1.00 0.00 H new ATOM 0 HD2 HIS A 93 11.394 1.434 5.479 1.00 0.00 H new ATOM 0 HE1 HIS A 93 14.949 -0.527 6.708 1.00 0.00 H new ATOM 0 HE2 HIS A 93 13.745 1.712 6.570 1.00 0.00 H new ATOM 1401 N GLN A 94 12.698 0.222 2.893 1.00 0.00 N ATOM 1402 CA GLN A 94 13.349 1.472 2.516 1.00 0.00 C ATOM 1403 C GLN A 94 12.899 1.923 1.130 1.00 0.00 C ATOM 1404 O GLN A 94 12.205 2.929 0.990 1.00 0.00 O ATOM 1405 CB GLN A 94 14.869 1.309 2.544 1.00 0.00 C ATOM 1406 CG GLN A 94 15.405 0.822 3.881 1.00 0.00 C ATOM 1407 CD GLN A 94 16.908 0.975 3.998 1.00 0.00 C ATOM 1408 OE1 GLN A 94 17.407 2.023 4.411 1.00 0.00 O ATOM 1409 NE2 GLN A 94 17.640 -0.071 3.634 1.00 0.00 N ATOM 0 H GLN A 94 13.333 -0.497 3.240 1.00 0.00 H new ATOM 0 HA GLN A 94 13.060 2.235 3.238 1.00 0.00 H new ATOM 0 HB2 GLN A 94 15.165 0.606 1.766 1.00 0.00 H new ATOM 0 HB3 GLN A 94 15.333 2.265 2.303 1.00 0.00 H new ATOM 0 HG2 GLN A 94 14.923 1.378 4.685 1.00 0.00 H new ATOM 0 HG3 GLN A 94 15.139 -0.227 4.015 1.00 0.00 H new ATOM 0 HE21 GLN A 94 17.185 -0.920 3.298 1.00 0.00 H new ATOM 0 HE22 GLN A 94 18.657 -0.026 3.691 1.00 0.00 H new ATOM 1418 N GLN A 95 13.300 1.171 0.109 1.00 0.00 N ATOM 1419 CA GLN A 95 12.939 1.495 -1.266 1.00 0.00 C ATOM 1420 C GLN A 95 11.492 1.970 -1.351 1.00 0.00 C ATOM 1421 O GLN A 95 11.200 2.998 -1.961 1.00 0.00 O ATOM 1422 CB GLN A 95 13.143 0.278 -2.169 1.00 0.00 C ATOM 1423 CG GLN A 95 14.594 0.044 -2.557 1.00 0.00 C ATOM 1424 CD GLN A 95 15.323 -0.852 -1.575 1.00 0.00 C ATOM 1425 OE1 GLN A 95 14.701 -1.555 -0.778 1.00 0.00 O ATOM 1426 NE2 GLN A 95 16.650 -0.832 -1.627 1.00 0.00 N ATOM 0 H GLN A 95 13.874 0.334 0.208 1.00 0.00 H new ATOM 0 HA GLN A 95 13.588 2.303 -1.605 1.00 0.00 H new ATOM 0 HB2 GLN A 95 12.764 -0.609 -1.661 1.00 0.00 H new ATOM 0 HB3 GLN A 95 12.549 0.404 -3.074 1.00 0.00 H new ATOM 0 HG2 GLN A 95 14.633 -0.404 -3.550 1.00 0.00 H new ATOM 0 HG3 GLN A 95 15.109 1.003 -2.619 1.00 0.00 H new ATOM 0 HE21 GLN A 95 17.125 -0.234 -2.303 1.00 0.00 H new ATOM 0 HE22 GLN A 95 17.194 -1.414 -0.991 1.00 0.00 H new ATOM 1435 N ALA A 96 10.589 1.213 -0.735 1.00 0.00 N ATOM 1436 CA ALA A 96 9.172 1.557 -0.740 1.00 0.00 C ATOM 1437 C ALA A 96 8.960 3.014 -0.342 1.00 0.00 C ATOM 1438 O ALA A 96 8.236 3.751 -1.012 1.00 0.00 O ATOM 1439 CB ALA A 96 8.402 0.635 0.193 1.00 0.00 C ATOM 0 H ALA A 96 10.814 0.358 -0.226 1.00 0.00 H new ATOM 0 HA ALA A 96 8.795 1.426 -1.754 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.346 0.903 0.179 1.00 0.00 H new ATOM 0 HB2 ALA A 96 8.519 -0.397 -0.138 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.789 0.737 1.207 1.00 0.00 H new ATOM 1445 N ILE A 97 9.595 3.422 0.752 1.00 0.00 N ATOM 1446 CA ILE A 97 9.475 4.791 1.239 1.00 0.00 C ATOM 1447 C ILE A 97 10.037 5.785 0.228 1.00 0.00 C ATOM 1448 O ILE A 97 9.463 6.850 0.005 1.00 0.00 O ATOM 1449 CB ILE A 97 10.203 4.976 2.583 1.00 0.00 C ATOM 1450 CG1 ILE A 97 9.801 3.872 3.562 1.00 0.00 C ATOM 1451 CG2 ILE A 97 9.897 6.347 3.167 1.00 0.00 C ATOM 1452 CD1 ILE A 97 10.401 4.039 4.941 1.00 0.00 C ATOM 0 H ILE A 97 10.198 2.824 1.318 1.00 0.00 H new ATOM 0 HA ILE A 97 8.412 4.983 1.382 1.00 0.00 H new ATOM 0 HB ILE A 97 11.277 4.908 2.410 1.00 0.00 H new ATOM 0 HG12 ILE A 97 8.715 3.851 3.647 1.00 0.00 H new ATOM 0 HG13 ILE A 97 10.107 2.908 3.156 1.00 0.00 H new ATOM 0 HG21 ILE A 97 10.419 6.463 4.117 1.00 0.00 H new ATOM 0 HG22 ILE A 97 10.229 7.120 2.474 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.823 6.442 3.329 1.00 0.00 H new ATOM 0 HD11 ILE A 97 10.073 3.221 5.582 1.00 0.00 H new ATOM 0 HD12 ILE A 97 11.489 4.030 4.868 1.00 0.00 H new ATOM 0 HD13 ILE A 97 10.074 4.987 5.368 1.00 0.00 H new ATOM 1464 N ALA A 98 11.162 5.427 -0.383 1.00 0.00 N ATOM 1465 CA ALA A 98 11.799 6.286 -1.374 1.00 0.00 C ATOM 1466 C ALA A 98 10.811 6.699 -2.459 1.00 0.00 C ATOM 1467 O ALA A 98 10.610 7.888 -2.709 1.00 0.00 O ATOM 1468 CB ALA A 98 12.998 5.580 -1.990 1.00 0.00 C ATOM 0 H ALA A 98 11.651 4.549 -0.209 1.00 0.00 H new ATOM 0 HA ALA A 98 12.142 7.189 -0.870 1.00 0.00 H new ATOM 0 HB1 ALA A 98 13.465 6.232 -2.728 1.00 0.00 H new ATOM 0 HB2 ALA A 98 13.720 5.341 -1.209 1.00 0.00 H new ATOM 0 HB3 ALA A 98 12.669 4.660 -2.474 1.00 0.00 H new ATOM 1474 N LEU A 99 10.197 5.711 -3.101 1.00 0.00 N ATOM 1475 CA LEU A 99 9.230 5.973 -4.161 1.00 0.00 C ATOM 1476 C LEU A 99 8.284 7.103 -3.768 1.00 0.00 C ATOM 1477 O LEU A 99 8.113 8.071 -4.512 1.00 0.00 O ATOM 1478 CB LEU A 99 8.429 4.707 -4.471 1.00 0.00 C ATOM 1479 CG LEU A 99 9.246 3.436 -4.704 1.00 0.00 C ATOM 1480 CD1 LEU A 99 8.329 2.254 -4.975 1.00 0.00 C ATOM 1481 CD2 LEU A 99 10.220 3.632 -5.857 1.00 0.00 C ATOM 0 H LEU A 99 10.352 4.722 -2.906 1.00 0.00 H new ATOM 0 HA LEU A 99 9.778 6.277 -5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.740 4.526 -3.646 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.823 4.893 -5.358 1.00 0.00 H new ATOM 0 HG LEU A 99 9.819 3.225 -3.801 1.00 0.00 H new ATOM 0 HD11 LEU A 99 8.928 1.358 -5.138 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.672 2.100 -4.119 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.728 2.455 -5.862 1.00 0.00 H new ATOM 0 HD21 LEU A 99 10.793 2.717 -6.009 1.00 0.00 H new ATOM 0 HD22 LEU A 99 9.666 3.868 -6.765 1.00 0.00 H new ATOM 0 HD23 LEU A 99 10.900 4.452 -5.624 1.00 0.00 H new ATOM 1493 N LEU A 100 7.673 6.976 -2.596 1.00 0.00 N ATOM 1494 CA LEU A 100 6.746 7.988 -2.102 1.00 0.00 C ATOM 1495 C LEU A 100 7.391 9.371 -2.116 1.00 0.00 C ATOM 1496 O LEU A 100 6.881 10.297 -2.745 1.00 0.00 O ATOM 1497 CB LEU A 100 6.288 7.641 -0.685 1.00 0.00 C ATOM 1498 CG LEU A 100 5.481 6.350 -0.538 1.00 0.00 C ATOM 1499 CD1 LEU A 100 5.441 5.909 0.917 1.00 0.00 C ATOM 1500 CD2 LEU A 100 4.072 6.537 -1.080 1.00 0.00 C ATOM 0 H LEU A 100 7.803 6.182 -1.969 1.00 0.00 H new ATOM 0 HA LEU A 100 5.880 8.005 -2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 100 7.169 7.570 -0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 100 5.686 8.467 -0.307 1.00 0.00 H new ATOM 0 HG LEU A 100 5.971 5.569 -1.120 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.863 4.989 1.003 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.457 5.734 1.272 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.975 6.688 1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.513 5.608 -0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.572 7.332 -0.526 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.121 6.805 -2.135 1.00 0.00 H new ATOM 1512 N GLN A 101 8.516 9.500 -1.420 1.00 0.00 N ATOM 1513 CA GLN A 101 9.231 10.769 -1.354 1.00 0.00 C ATOM 1514 C GLN A 101 9.797 11.146 -2.718 1.00 0.00 C ATOM 1515 O GLN A 101 10.183 12.293 -2.944 1.00 0.00 O ATOM 1516 CB GLN A 101 10.360 10.689 -0.324 1.00 0.00 C ATOM 1517 CG GLN A 101 9.893 10.262 1.058 1.00 0.00 C ATOM 1518 CD GLN A 101 10.831 10.721 2.158 1.00 0.00 C ATOM 1519 OE1 GLN A 101 11.174 11.900 2.245 1.00 0.00 O ATOM 1520 NE2 GLN A 101 11.250 9.789 3.006 1.00 0.00 N ATOM 0 H GLN A 101 8.952 8.742 -0.894 1.00 0.00 H new ATOM 0 HA GLN A 101 8.524 11.541 -1.049 1.00 0.00 H new ATOM 0 HB2 GLN A 101 11.114 9.985 -0.677 1.00 0.00 H new ATOM 0 HB3 GLN A 101 10.843 11.663 -0.250 1.00 0.00 H new ATOM 0 HG2 GLN A 101 8.898 10.666 1.242 1.00 0.00 H new ATOM 0 HG3 GLN A 101 9.807 9.176 1.089 1.00 0.00 H new ATOM 0 HE21 GLN A 101 10.940 8.823 2.896 1.00 0.00 H new ATOM 0 HE22 GLN A 101 11.882 10.039 3.767 1.00 0.00 H new ATOM 1529 N GLN A 102 9.844 10.175 -3.624 1.00 0.00 N ATOM 1530 CA GLN A 102 10.364 10.406 -4.966 1.00 0.00 C ATOM 1531 C GLN A 102 9.263 10.256 -6.010 1.00 0.00 C ATOM 1532 O GLN A 102 9.471 9.658 -7.067 1.00 0.00 O ATOM 1533 CB GLN A 102 11.505 9.433 -5.268 1.00 0.00 C ATOM 1534 CG GLN A 102 12.642 9.497 -4.260 1.00 0.00 C ATOM 1535 CD GLN A 102 13.744 8.500 -4.560 1.00 0.00 C ATOM 1536 OE1 GLN A 102 14.269 7.848 -3.657 1.00 0.00 O ATOM 1537 NE2 GLN A 102 14.102 8.378 -5.833 1.00 0.00 N ATOM 0 H GLN A 102 9.528 9.220 -3.453 1.00 0.00 H new ATOM 0 HA GLN A 102 10.744 11.426 -5.010 1.00 0.00 H new ATOM 0 HB2 GLN A 102 11.109 8.418 -5.292 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.899 9.645 -6.262 1.00 0.00 H new ATOM 0 HG2 GLN A 102 13.060 10.504 -4.253 1.00 0.00 H new ATOM 0 HG3 GLN A 102 12.248 9.308 -3.261 1.00 0.00 H new ATOM 0 HE21 GLN A 102 13.640 8.939 -6.549 1.00 0.00 H new ATOM 0 HE22 GLN A 102 14.839 7.724 -6.095 1.00 0.00 H new ATOM 1546 N THR A 103 8.089 10.802 -5.708 1.00 0.00 N ATOM 1547 CA THR A 103 6.954 10.727 -6.619 1.00 0.00 C ATOM 1548 C THR A 103 6.111 11.996 -6.552 1.00 0.00 C ATOM 1549 O THR A 103 5.389 12.224 -5.581 1.00 0.00 O ATOM 1550 CB THR A 103 6.060 9.513 -6.305 1.00 0.00 C ATOM 1551 OG1 THR A 103 6.781 8.299 -6.543 1.00 0.00 O ATOM 1552 CG2 THR A 103 4.799 9.535 -7.156 1.00 0.00 C ATOM 0 H THR A 103 7.900 11.301 -4.839 1.00 0.00 H new ATOM 0 HA THR A 103 7.362 10.617 -7.624 1.00 0.00 H new ATOM 0 HB THR A 103 5.772 9.564 -5.255 1.00 0.00 H new ATOM 0 HG1 THR A 103 7.075 7.920 -5.688 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.183 8.668 -6.917 1.00 0.00 H new ATOM 0 HG22 THR A 103 4.238 10.446 -6.951 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.071 9.506 -8.211 1.00 0.00 H new ATOM 1560 N THR A 104 6.205 12.819 -7.591 1.00 0.00 N ATOM 1561 CA THR A 104 5.451 14.065 -7.650 1.00 0.00 C ATOM 1562 C THR A 104 4.412 14.027 -8.765 1.00 0.00 C ATOM 1563 O THR A 104 4.670 13.507 -9.849 1.00 0.00 O ATOM 1564 CB THR A 104 6.380 15.274 -7.870 1.00 0.00 C ATOM 1565 OG1 THR A 104 7.651 15.034 -7.256 1.00 0.00 O ATOM 1566 CG2 THR A 104 5.765 16.541 -7.296 1.00 0.00 C ATOM 0 H THR A 104 6.796 12.645 -8.404 1.00 0.00 H new ATOM 0 HA THR A 104 4.946 14.174 -6.690 1.00 0.00 H new ATOM 0 HB THR A 104 6.515 15.409 -8.943 1.00 0.00 H new ATOM 0 HG1 THR A 104 8.236 15.807 -7.402 1.00 0.00 H new ATOM 0 HG21 THR A 104 6.439 17.381 -7.463 1.00 0.00 H new ATOM 0 HG22 THR A 104 4.812 16.737 -7.787 1.00 0.00 H new ATOM 0 HG23 THR A 104 5.603 16.414 -6.226 1.00 0.00 H new ATOM 1574 N GLY A 105 3.236 14.584 -8.491 1.00 0.00 N ATOM 1575 CA GLY A 105 2.176 14.603 -9.481 1.00 0.00 C ATOM 1576 C GLY A 105 1.047 13.650 -9.141 1.00 0.00 C ATOM 1577 O GLY A 105 -0.044 14.078 -8.767 1.00 0.00 O ATOM 0 H GLY A 105 2.999 15.022 -7.601 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.780 15.615 -9.565 1.00 0.00 H new ATOM 0 HA3 GLY A 105 2.588 14.340 -10.455 1.00 0.00 H new ATOM 1581 N SER A 106 1.310 12.353 -9.273 1.00 0.00 N ATOM 1582 CA SER A 106 0.306 11.337 -8.982 1.00 0.00 C ATOM 1583 C SER A 106 0.912 10.187 -8.183 1.00 0.00 C ATOM 1584 O SER A 106 1.981 9.676 -8.522 1.00 0.00 O ATOM 1585 CB SER A 106 -0.302 10.805 -10.281 1.00 0.00 C ATOM 1586 OG SER A 106 0.708 10.407 -11.192 1.00 0.00 O ATOM 0 H SER A 106 2.209 11.982 -9.579 1.00 0.00 H new ATOM 0 HA SER A 106 -0.479 11.798 -8.383 1.00 0.00 H new ATOM 0 HB2 SER A 106 -0.952 9.958 -10.062 1.00 0.00 H new ATOM 0 HB3 SER A 106 -0.924 11.575 -10.737 1.00 0.00 H new ATOM 0 HG SER A 106 1.462 10.023 -10.697 1.00 0.00 H new ATOM 1592 N LEU A 107 0.223 9.786 -7.121 1.00 0.00 N ATOM 1593 CA LEU A 107 0.692 8.696 -6.272 1.00 0.00 C ATOM 1594 C LEU A 107 -0.351 7.586 -6.184 1.00 0.00 C ATOM 1595 O LEU A 107 -1.333 7.701 -5.451 1.00 0.00 O ATOM 1596 CB LEU A 107 1.017 9.218 -4.871 1.00 0.00 C ATOM 1597 CG LEU A 107 1.625 8.205 -3.901 1.00 0.00 C ATOM 1598 CD1 LEU A 107 3.019 7.802 -4.354 1.00 0.00 C ATOM 1599 CD2 LEU A 107 1.663 8.774 -2.490 1.00 0.00 C ATOM 0 H LEU A 107 -0.662 10.199 -6.827 1.00 0.00 H new ATOM 0 HA LEU A 107 1.597 8.284 -6.719 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.707 10.056 -4.969 1.00 0.00 H new ATOM 0 HB3 LEU A 107 0.100 9.609 -4.429 1.00 0.00 H new ATOM 0 HG LEU A 107 0.997 7.314 -3.895 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.436 7.081 -3.651 1.00 0.00 H new ATOM 0 HD12 LEU A 107 2.964 7.352 -5.345 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.659 8.684 -4.391 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.099 8.039 -1.813 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.268 9.681 -2.480 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.650 9.010 -2.165 1.00 0.00 H new ATOM 1611 N ARG A 108 -0.129 6.512 -6.935 1.00 0.00 N ATOM 1612 CA ARG A 108 -1.049 5.381 -6.941 1.00 0.00 C ATOM 1613 C ARG A 108 -0.551 4.271 -6.021 1.00 0.00 C ATOM 1614 O ARG A 108 0.469 3.636 -6.292 1.00 0.00 O ATOM 1615 CB ARG A 108 -1.219 4.843 -8.363 1.00 0.00 C ATOM 1616 CG ARG A 108 -2.290 3.772 -8.484 1.00 0.00 C ATOM 1617 CD ARG A 108 -1.705 2.377 -8.323 1.00 0.00 C ATOM 1618 NE ARG A 108 -1.318 1.794 -9.605 1.00 0.00 N ATOM 1619 CZ ARG A 108 -0.421 0.823 -9.729 1.00 0.00 C ATOM 1620 NH1 ARG A 108 0.179 0.328 -8.655 1.00 0.00 N ATOM 1621 NH2 ARG A 108 -0.122 0.344 -10.930 1.00 0.00 N ATOM 0 H ARG A 108 0.680 6.401 -7.547 1.00 0.00 H new ATOM 0 HA ARG A 108 -2.015 5.727 -6.573 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -1.467 5.670 -9.028 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -0.268 4.434 -8.704 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -3.057 3.936 -7.727 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -2.779 3.853 -9.455 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -0.835 2.422 -7.668 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -2.436 1.731 -7.837 1.00 0.00 H new ATOM 0 HE ARG A 108 -1.761 2.152 -10.451 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -0.048 0.693 -7.730 1.00 0.00 H new ATOM 0 HH12 ARG A 108 0.868 -0.418 -8.754 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -0.581 0.722 -11.759 1.00 0.00 H new ATOM 0 HH22 ARG A 108 0.567 -0.402 -11.024 1.00 0.00 H new ATOM 1635 N LEU A 109 -1.277 4.041 -4.933 1.00 0.00 N ATOM 1636 CA LEU A 109 -0.909 3.008 -3.971 1.00 0.00 C ATOM 1637 C LEU A 109 -1.955 1.898 -3.938 1.00 0.00 C ATOM 1638 O LEU A 109 -3.128 2.145 -3.653 1.00 0.00 O ATOM 1639 CB LEU A 109 -0.749 3.614 -2.576 1.00 0.00 C ATOM 1640 CG LEU A 109 0.150 4.847 -2.480 1.00 0.00 C ATOM 1641 CD1 LEU A 109 0.129 5.414 -1.069 1.00 0.00 C ATOM 1642 CD2 LEU A 109 1.573 4.504 -2.897 1.00 0.00 C ATOM 0 H LEU A 109 -2.124 4.556 -4.695 1.00 0.00 H new ATOM 0 HA LEU A 109 0.042 2.578 -4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.738 3.880 -2.201 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.352 2.847 -1.912 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.234 5.606 -3.161 1.00 0.00 H new ATOM 0 HD11 LEU A 109 0.774 6.291 -1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.890 5.698 -0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.487 4.660 -0.368 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.198 5.394 -2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.967 3.727 -2.242 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.574 4.145 -3.926 1.00 0.00 H new ATOM 1654 N ILE A 110 -1.523 0.676 -4.230 1.00 0.00 N ATOM 1655 CA ILE A 110 -2.422 -0.472 -4.230 1.00 0.00 C ATOM 1656 C ILE A 110 -2.356 -1.222 -2.904 1.00 0.00 C ATOM 1657 O ILE A 110 -1.418 -1.978 -2.652 1.00 0.00 O ATOM 1658 CB ILE A 110 -2.090 -1.447 -5.375 1.00 0.00 C ATOM 1659 CG1 ILE A 110 -2.203 -0.738 -6.727 1.00 0.00 C ATOM 1660 CG2 ILE A 110 -3.012 -2.655 -5.326 1.00 0.00 C ATOM 1661 CD1 ILE A 110 -1.841 -1.618 -7.903 1.00 0.00 C ATOM 0 H ILE A 110 -0.556 0.455 -4.470 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.430 -0.083 -4.375 1.00 0.00 H new ATOM 0 HB ILE A 110 -1.064 -1.793 -5.252 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -3.223 -0.377 -6.854 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.553 0.137 -6.725 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -2.765 -3.335 -6.142 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -2.886 -3.170 -4.374 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.047 -2.327 -5.428 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.944 -1.050 -8.828 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -0.811 -1.959 -7.799 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -2.507 -2.480 -7.931 1.00 0.00 H new ATOM 1673 N VAL A 111 -3.360 -1.008 -2.060 1.00 0.00 N ATOM 1674 CA VAL A 111 -3.419 -1.666 -0.760 1.00 0.00 C ATOM 1675 C VAL A 111 -4.453 -2.787 -0.757 1.00 0.00 C ATOM 1676 O VAL A 111 -5.394 -2.779 -1.550 1.00 0.00 O ATOM 1677 CB VAL A 111 -3.760 -0.666 0.361 1.00 0.00 C ATOM 1678 CG1 VAL A 111 -2.732 0.455 0.406 1.00 0.00 C ATOM 1679 CG2 VAL A 111 -5.162 -0.108 0.168 1.00 0.00 C ATOM 0 H VAL A 111 -4.144 -0.384 -2.253 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.431 -2.086 -0.574 1.00 0.00 H new ATOM 0 HB VAL A 111 -3.731 -1.192 1.315 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -2.989 1.152 1.204 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.744 0.035 0.595 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.726 0.982 -0.548 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -5.387 0.597 0.969 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -5.221 0.403 -0.793 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.884 -0.924 0.190 1.00 0.00 H new ATOM 1689 N ALA A 112 -4.271 -3.750 0.141 1.00 0.00 N ATOM 1690 CA ALA A 112 -5.190 -4.876 0.249 1.00 0.00 C ATOM 1691 C ALA A 112 -6.223 -4.639 1.344 1.00 0.00 C ATOM 1692 O ALA A 112 -6.063 -3.749 2.180 1.00 0.00 O ATOM 1693 CB ALA A 112 -4.420 -6.161 0.516 1.00 0.00 C ATOM 0 H ALA A 112 -3.496 -3.773 0.804 1.00 0.00 H new ATOM 0 HA ALA A 112 -5.720 -4.973 -0.698 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -5.118 -6.994 0.594 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -3.725 -6.346 -0.303 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.864 -6.065 1.448 1.00 0.00 H new ATOM 1699 N ARG A 113 -7.284 -5.440 1.334 1.00 0.00 N ATOM 1700 CA ARG A 113 -8.345 -5.315 2.326 1.00 0.00 C ATOM 1701 C ARG A 113 -8.821 -6.689 2.790 1.00 0.00 C ATOM 1702 O ARG A 113 -8.754 -7.663 2.041 1.00 0.00 O ATOM 1703 CB ARG A 113 -9.521 -4.524 1.750 1.00 0.00 C ATOM 1704 CG ARG A 113 -9.115 -3.200 1.123 1.00 0.00 C ATOM 1705 CD ARG A 113 -9.149 -2.068 2.138 1.00 0.00 C ATOM 1706 NE ARG A 113 -9.242 -0.760 1.496 1.00 0.00 N ATOM 1707 CZ ARG A 113 -8.876 0.374 2.083 1.00 0.00 C ATOM 1708 NH1 ARG A 113 -8.393 0.360 3.318 1.00 0.00 N ATOM 1709 NH2 ARG A 113 -8.990 1.526 1.434 1.00 0.00 N ATOM 0 H ARG A 113 -7.431 -6.182 0.650 1.00 0.00 H new ATOM 0 HA ARG A 113 -7.942 -4.780 3.186 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -10.025 -5.133 0.999 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -10.244 -4.334 2.543 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -8.111 -3.286 0.706 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -9.785 -2.968 0.295 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -9.999 -2.205 2.806 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -8.251 -2.106 2.754 1.00 0.00 H new ATOM 0 HE ARG A 113 -9.608 -0.715 0.545 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -8.302 -0.523 3.820 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -8.113 1.232 3.766 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -9.359 1.541 0.483 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -8.709 2.396 1.886 1.00 0.00 H new ATOM 1723 N GLU A 114 -9.300 -6.757 4.028 1.00 0.00 N ATOM 1724 CA GLU A 114 -9.785 -8.012 4.590 1.00 0.00 C ATOM 1725 C GLU A 114 -11.279 -8.183 4.330 1.00 0.00 C ATOM 1726 O GLU A 114 -12.071 -7.251 4.474 1.00 0.00 O ATOM 1727 CB GLU A 114 -9.509 -8.063 6.094 1.00 0.00 C ATOM 1728 CG GLU A 114 -9.822 -9.409 6.725 1.00 0.00 C ATOM 1729 CD GLU A 114 -10.010 -9.320 8.227 1.00 0.00 C ATOM 1730 OE1 GLU A 114 -9.000 -9.162 8.943 1.00 0.00 O ATOM 1731 OE2 GLU A 114 -11.168 -9.408 8.686 1.00 0.00 O ATOM 0 H GLU A 114 -9.363 -5.959 4.660 1.00 0.00 H new ATOM 0 HA GLU A 114 -9.253 -8.829 4.102 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -8.460 -7.823 6.271 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -10.100 -7.293 6.590 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -10.726 -9.816 6.273 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -9.014 -10.106 6.505 1.00 0.00 H new ATOM 1738 N PRO A 115 -11.675 -9.403 3.936 1.00 0.00 N ATOM 1739 CA PRO A 115 -13.075 -9.726 3.648 1.00 0.00 C ATOM 1740 C PRO A 115 -13.937 -9.744 4.906 1.00 0.00 C ATOM 1741 O PRO A 115 -13.441 -9.540 6.013 1.00 0.00 O ATOM 1742 CB PRO A 115 -12.997 -11.125 3.032 1.00 0.00 C ATOM 1743 CG PRO A 115 -11.742 -11.710 3.580 1.00 0.00 C ATOM 1744 CD PRO A 115 -10.786 -10.560 3.743 1.00 0.00 C ATOM 0 HA PRO A 115 -13.539 -8.985 2.997 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -13.865 -11.726 3.303 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -12.969 -11.077 1.943 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -11.926 -12.203 4.535 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -11.335 -12.463 2.905 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -10.124 -10.705 4.597 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -10.151 -10.437 2.865 1.00 0.00 H new ATOM 1752 N VAL A 116 -15.231 -9.992 4.727 1.00 0.00 N ATOM 1753 CA VAL A 116 -16.162 -10.039 5.849 1.00 0.00 C ATOM 1754 C VAL A 116 -16.365 -11.470 6.334 1.00 0.00 C ATOM 1755 O VAL A 116 -16.477 -12.399 5.533 1.00 0.00 O ATOM 1756 CB VAL A 116 -17.528 -9.438 5.469 1.00 0.00 C ATOM 1757 CG1 VAL A 116 -18.181 -10.252 4.363 1.00 0.00 C ATOM 1758 CG2 VAL A 116 -18.433 -9.360 6.690 1.00 0.00 C ATOM 0 H VAL A 116 -15.658 -10.163 3.817 1.00 0.00 H new ATOM 0 HA VAL A 116 -15.723 -9.446 6.651 1.00 0.00 H new ATOM 0 HB VAL A 116 -17.369 -8.426 5.097 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -19.145 -9.812 4.108 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -17.538 -10.252 3.483 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -18.329 -11.277 4.704 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -19.394 -8.933 6.404 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -18.586 -10.361 7.094 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -17.968 -8.730 7.448 1.00 0.00 H new ATOM 1768 N HIS A 117 -16.413 -11.641 7.651 1.00 0.00 N ATOM 1769 CA HIS A 117 -16.605 -12.960 8.244 1.00 0.00 C ATOM 1770 C HIS A 117 -17.790 -12.956 9.206 1.00 0.00 C ATOM 1771 O HIS A 117 -18.697 -13.782 9.094 1.00 0.00 O ATOM 1772 CB HIS A 117 -15.339 -13.401 8.979 1.00 0.00 C ATOM 1773 CG HIS A 117 -15.175 -14.888 9.050 1.00 0.00 C ATOM 1774 ND1 HIS A 117 -15.710 -15.656 10.062 1.00 0.00 N ATOM 1775 CD2 HIS A 117 -14.532 -15.748 8.227 1.00 0.00 C ATOM 1776 CE1 HIS A 117 -15.402 -16.925 9.859 1.00 0.00 C ATOM 1777 NE2 HIS A 117 -14.688 -17.008 8.752 1.00 0.00 N ATOM 0 H HIS A 117 -16.322 -10.883 8.328 1.00 0.00 H new ATOM 0 HA HIS A 117 -16.814 -13.666 7.440 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -14.471 -12.971 8.480 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -15.357 -12.997 9.991 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -13.996 -15.492 7.325 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -15.686 -17.753 10.491 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -14.313 -17.868 8.351 1.00 0.00 H new ATOM 1786 N THR A 118 -17.775 -12.022 10.152 1.00 0.00 N ATOM 1787 CA THR A 118 -18.847 -11.912 11.134 1.00 0.00 C ATOM 1788 C THR A 118 -19.266 -10.460 11.330 1.00 0.00 C ATOM 1789 O THR A 118 -18.441 -9.601 11.642 1.00 0.00 O ATOM 1790 CB THR A 118 -18.425 -12.501 12.493 1.00 0.00 C ATOM 1791 OG1 THR A 118 -17.880 -13.813 12.312 1.00 0.00 O ATOM 1792 CG2 THR A 118 -19.609 -12.565 13.446 1.00 0.00 C ATOM 0 H THR A 118 -17.032 -11.331 10.259 1.00 0.00 H new ATOM 0 HA THR A 118 -19.692 -12.481 10.746 1.00 0.00 H new ATOM 0 HB THR A 118 -17.665 -11.850 12.925 1.00 0.00 H new ATOM 0 HG1 THR A 118 -17.613 -14.179 13.181 1.00 0.00 H new ATOM 0 HG21 THR A 118 -19.287 -12.984 14.399 1.00 0.00 H new ATOM 0 HG22 THR A 118 -20.002 -11.561 13.606 1.00 0.00 H new ATOM 0 HG23 THR A 118 -20.388 -13.196 13.017 1.00 0.00 H new ATOM 1800 N LYS A 119 -20.554 -10.191 11.146 1.00 0.00 N ATOM 1801 CA LYS A 119 -21.085 -8.842 11.304 1.00 0.00 C ATOM 1802 C LYS A 119 -21.229 -8.484 12.780 1.00 0.00 C ATOM 1803 O LYS A 119 -21.402 -9.360 13.627 1.00 0.00 O ATOM 1804 CB LYS A 119 -22.440 -8.720 10.604 1.00 0.00 C ATOM 1805 CG LYS A 119 -23.141 -7.397 10.862 1.00 0.00 C ATOM 1806 CD LYS A 119 -24.465 -7.314 10.121 1.00 0.00 C ATOM 1807 CE LYS A 119 -25.582 -7.996 10.897 1.00 0.00 C ATOM 1808 NZ LYS A 119 -26.722 -8.369 10.014 1.00 0.00 N ATOM 0 H LYS A 119 -21.250 -10.890 10.887 1.00 0.00 H new ATOM 0 HA LYS A 119 -20.383 -8.146 10.846 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -22.297 -8.843 9.530 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -23.085 -9.534 10.935 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -23.314 -7.278 11.932 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -22.496 -6.576 10.550 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -24.724 -6.269 9.952 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -24.364 -7.780 9.141 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -25.193 -8.890 11.385 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -25.935 -7.331 11.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -27.462 -8.831 10.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -27.110 -7.513 9.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -26.390 -9.024 9.277 1.00 0.00 H new ATOM 1822 N SER A 120 -21.157 -7.191 13.080 1.00 0.00 N ATOM 1823 CA SER A 120 -21.277 -6.718 14.454 1.00 0.00 C ATOM 1824 C SER A 120 -22.176 -5.487 14.528 1.00 0.00 C ATOM 1825 O SER A 120 -22.348 -4.771 13.542 1.00 0.00 O ATOM 1826 CB SER A 120 -19.896 -6.389 15.025 1.00 0.00 C ATOM 1827 OG SER A 120 -20.002 -5.810 16.314 1.00 0.00 O ATOM 0 H SER A 120 -21.016 -6.453 12.390 1.00 0.00 H new ATOM 0 HA SER A 120 -21.728 -7.513 15.048 1.00 0.00 H new ATOM 0 HB2 SER A 120 -19.296 -7.297 15.079 1.00 0.00 H new ATOM 0 HB3 SER A 120 -19.377 -5.703 14.356 1.00 0.00 H new ATOM 0 HG SER A 120 -19.106 -5.611 16.658 1.00 0.00 H new ATOM 1833 N SER A 121 -22.747 -5.249 15.704 1.00 0.00 N ATOM 1834 CA SER A 121 -23.632 -4.108 15.907 1.00 0.00 C ATOM 1835 C SER A 121 -23.225 -3.319 17.148 1.00 0.00 C ATOM 1836 O SER A 121 -23.714 -3.574 18.250 1.00 0.00 O ATOM 1837 CB SER A 121 -25.082 -4.578 16.041 1.00 0.00 C ATOM 1838 OG SER A 121 -25.987 -3.522 15.769 1.00 0.00 O ATOM 0 H SER A 121 -22.613 -5.831 16.531 1.00 0.00 H new ATOM 0 HA SER A 121 -23.548 -3.455 15.038 1.00 0.00 H new ATOM 0 HB2 SER A 121 -25.265 -5.404 15.354 1.00 0.00 H new ATOM 0 HB3 SER A 121 -25.253 -4.958 17.048 1.00 0.00 H new ATOM 0 HG SER A 121 -26.907 -3.848 15.860 1.00 0.00 H new ATOM 1844 N THR A 122 -22.325 -2.358 16.962 1.00 0.00 N ATOM 1845 CA THR A 122 -21.850 -1.532 18.065 1.00 0.00 C ATOM 1846 C THR A 122 -21.887 -0.053 17.698 1.00 0.00 C ATOM 1847 O THR A 122 -21.447 0.340 16.618 1.00 0.00 O ATOM 1848 CB THR A 122 -20.415 -1.913 18.474 1.00 0.00 C ATOM 1849 OG1 THR A 122 -19.572 -1.960 17.317 1.00 0.00 O ATOM 1850 CG2 THR A 122 -20.393 -3.260 19.180 1.00 0.00 C ATOM 0 H THR A 122 -21.911 -2.133 16.058 1.00 0.00 H new ATOM 0 HA THR A 122 -22.519 -1.712 18.907 1.00 0.00 H new ATOM 0 HB THR A 122 -20.043 -1.154 19.163 1.00 0.00 H new ATOM 0 HG1 THR A 122 -18.661 -2.201 17.586 1.00 0.00 H new ATOM 0 HG21 THR A 122 -19.369 -3.508 19.459 1.00 0.00 H new ATOM 0 HG22 THR A 122 -21.012 -3.211 20.076 1.00 0.00 H new ATOM 0 HG23 THR A 122 -20.783 -4.028 18.511 1.00 0.00 H new ATOM 1858 N SER A 123 -22.414 0.764 18.605 1.00 0.00 N ATOM 1859 CA SER A 123 -22.511 2.200 18.376 1.00 0.00 C ATOM 1860 C SER A 123 -22.653 2.953 19.696 1.00 0.00 C ATOM 1861 O SER A 123 -22.736 2.347 20.763 1.00 0.00 O ATOM 1862 CB SER A 123 -23.700 2.514 17.466 1.00 0.00 C ATOM 1863 OG SER A 123 -24.906 2.007 18.010 1.00 0.00 O ATOM 0 H SER A 123 -22.780 0.455 19.505 1.00 0.00 H new ATOM 0 HA SER A 123 -21.593 2.528 17.888 1.00 0.00 H new ATOM 0 HB2 SER A 123 -23.783 3.592 17.331 1.00 0.00 H new ATOM 0 HB3 SER A 123 -23.532 2.081 16.480 1.00 0.00 H new ATOM 0 HG SER A 123 -25.651 2.222 17.411 1.00 0.00 H new ATOM 1869 N GLY A 124 -22.680 4.280 19.613 1.00 0.00 N ATOM 1870 CA GLY A 124 -22.811 5.094 20.807 1.00 0.00 C ATOM 1871 C GLY A 124 -23.952 6.088 20.708 1.00 0.00 C ATOM 1872 O GLY A 124 -24.540 6.286 19.645 1.00 0.00 O ATOM 0 H GLY A 124 -22.614 4.805 18.741 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -22.971 4.446 21.669 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -21.879 5.631 20.981 1.00 0.00 H new ATOM 1876 N PRO A 125 -24.282 6.731 21.838 1.00 0.00 N ATOM 1877 CA PRO A 125 -25.363 7.718 21.900 1.00 0.00 C ATOM 1878 C PRO A 125 -25.019 9.003 21.153 1.00 0.00 C ATOM 1879 O PRO A 125 -23.908 9.158 20.646 1.00 0.00 O ATOM 1880 CB PRO A 125 -25.507 7.993 23.399 1.00 0.00 C ATOM 1881 CG PRO A 125 -24.170 7.671 23.973 1.00 0.00 C ATOM 1882 CD PRO A 125 -23.624 6.544 23.142 1.00 0.00 C ATOM 0 HA PRO A 125 -26.276 7.352 21.430 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -25.779 9.032 23.587 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -26.288 7.374 23.842 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -23.510 8.538 23.936 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -24.255 7.379 25.020 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -22.539 6.598 23.056 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -23.862 5.573 23.576 1.00 0.00 H new ATOM 1890 N SER A 126 -25.978 9.920 21.090 1.00 0.00 N ATOM 1891 CA SER A 126 -25.777 11.190 20.402 1.00 0.00 C ATOM 1892 C SER A 126 -26.597 12.298 21.057 1.00 0.00 C ATOM 1893 O SER A 126 -27.352 12.054 21.998 1.00 0.00 O ATOM 1894 CB SER A 126 -26.159 11.061 18.927 1.00 0.00 C ATOM 1895 OG SER A 126 -25.471 12.015 18.136 1.00 0.00 O ATOM 0 H SER A 126 -26.902 9.808 21.507 1.00 0.00 H new ATOM 0 HA SER A 126 -24.721 11.452 20.475 1.00 0.00 H new ATOM 0 HB2 SER A 126 -25.926 10.056 18.575 1.00 0.00 H new ATOM 0 HB3 SER A 126 -27.234 11.198 18.813 1.00 0.00 H new ATOM 0 HG SER A 126 -25.731 11.910 17.197 1.00 0.00 H new ATOM 1901 N SER A 127 -26.443 13.518 20.550 1.00 0.00 N ATOM 1902 CA SER A 127 -27.165 14.665 21.087 1.00 0.00 C ATOM 1903 C SER A 127 -27.583 15.616 19.969 1.00 0.00 C ATOM 1904 O SER A 127 -27.176 15.456 18.819 1.00 0.00 O ATOM 1905 CB SER A 127 -26.300 15.408 22.107 1.00 0.00 C ATOM 1906 OG SER A 127 -27.089 16.256 22.923 1.00 0.00 O ATOM 0 H SER A 127 -25.825 13.737 19.769 1.00 0.00 H new ATOM 0 HA SER A 127 -28.063 14.297 21.583 1.00 0.00 H new ATOM 0 HB2 SER A 127 -25.769 14.689 22.731 1.00 0.00 H new ATOM 0 HB3 SER A 127 -25.545 15.998 21.587 1.00 0.00 H new ATOM 0 HG SER A 127 -26.513 16.718 23.567 1.00 0.00 H new ATOM 1912 N GLY A 128 -28.399 16.606 20.317 1.00 0.00 N ATOM 1913 CA GLY A 128 -28.859 17.568 19.332 1.00 0.00 C ATOM 1914 C GLY A 128 -27.795 17.900 18.305 1.00 0.00 C ATOM 1915 O GLY A 128 -26.988 18.807 18.509 1.00 0.00 O ATOM 0 H GLY A 128 -28.750 16.759 21.263 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -29.738 17.171 18.824 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -29.169 18.482 19.838 1.00 0.00 H new TER 1919 GLY A 128