USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 683 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 64 ASN : amide:sc= -0.0465 X(o=-0.17,f=0.051) USER MOD Set 1.2: A 83 GLN : amide:sc= -0.125 K(o=-0.17,f=-1) USER MOD Single : A 12 LYS NZ :NH3+ -115:sc= -0.81 (180deg=-3.25!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HE2:sc= -1.11 X(o=-1.1,f=-1.3) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.255 X(o=-0.25,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= -0.704 K(o=-0.7,f=-0.023) USER MOD Single : A 51 CYS SG : rot -121:sc= 1.09 USER MOD Single : A 55 HIS : no HD1:sc= -3.89 X(o=-3.9,f=-4.3!) USER MOD Single : A 67 ASN : amide:sc= -0.28 K(o=-0.28,f=-2.3) USER MOD Single : A 71 THR OG1 : rot -140:sc= -0.0824 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.222 X(o=-0.22,f=-0.11) USER MOD Single : A 74 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0406) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.28 K(o=-0.28,f=-2.5!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 9 -16.129 -1.690 2.960 1.00 0.00 N ATOM 2 CA PRO A 9 -15.763 -0.493 2.144 1.00 0.00 C ATOM 3 C PRO A 9 -14.366 -0.622 1.518 1.00 0.00 C ATOM 4 O PRO A 9 -13.517 0.259 1.679 1.00 0.00 O ATOM 5 CB PRO A 9 -15.827 0.724 3.069 1.00 0.00 C ATOM 6 CG PRO A 9 -16.416 0.198 4.335 1.00 0.00 C ATOM 7 CD PRO A 9 -16.096 -1.277 4.374 1.00 0.00 C ATOM 0 HA PRO A 9 -16.460 -0.393 1.312 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -14.837 1.147 3.237 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -16.444 1.515 2.643 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -15.995 0.710 5.201 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -17.493 0.362 4.360 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -15.119 -1.461 4.820 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -16.826 -1.828 4.967 1.00 0.00 H new ATOM 17 N ILE A 10 -14.136 -1.721 0.797 1.00 0.00 N ATOM 18 CA ILE A 10 -12.848 -1.957 0.148 1.00 0.00 C ATOM 19 C ILE A 10 -12.850 -1.435 -1.289 1.00 0.00 C ATOM 20 O ILE A 10 -13.818 -1.628 -2.028 1.00 0.00 O ATOM 21 CB ILE A 10 -12.477 -3.460 0.156 1.00 0.00 C ATOM 22 CG1 ILE A 10 -11.061 -3.666 -0.396 1.00 0.00 C ATOM 23 CG2 ILE A 10 -13.490 -4.274 -0.641 1.00 0.00 C ATOM 24 CD1 ILE A 10 -10.183 -4.514 0.497 1.00 0.00 C ATOM 0 H ILE A 10 -14.824 -2.459 0.649 1.00 0.00 H new ATOM 0 HA ILE A 10 -12.098 -1.411 0.720 1.00 0.00 H new ATOM 0 HB ILE A 10 -12.499 -3.812 1.188 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -11.127 -4.134 -1.378 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -10.590 -2.693 -0.538 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -13.208 -5.327 -0.621 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -14.480 -4.155 -0.200 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -13.508 -3.923 -1.673 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -9.197 -4.618 0.045 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -10.087 -4.036 1.472 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -10.632 -5.500 0.619 1.00 0.00 H new ATOM 36 N ARG A 11 -11.758 -0.773 -1.678 1.00 0.00 N ATOM 37 CA ARG A 11 -11.629 -0.223 -3.027 1.00 0.00 C ATOM 38 C ARG A 11 -10.377 -0.759 -3.721 1.00 0.00 C ATOM 39 O ARG A 11 -9.363 -1.031 -3.073 1.00 0.00 O ATOM 40 CB ARG A 11 -11.582 1.309 -2.981 1.00 0.00 C ATOM 41 CG ARG A 11 -12.081 1.969 -4.258 1.00 0.00 C ATOM 42 CD ARG A 11 -11.891 3.477 -4.225 1.00 0.00 C ATOM 43 NE ARG A 11 -12.778 4.160 -5.169 1.00 0.00 N ATOM 44 CZ ARG A 11 -12.597 5.412 -5.603 1.00 0.00 C ATOM 45 NH1 ARG A 11 -11.560 6.132 -5.181 1.00 0.00 N ATOM 46 NH2 ARG A 11 -13.457 5.943 -6.465 1.00 0.00 N ATOM 0 H ARG A 11 -10.951 -0.605 -1.077 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.503 -0.535 -3.599 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.183 1.658 -2.142 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.557 1.628 -2.793 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.548 1.554 -5.114 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -13.137 1.739 -4.398 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.081 3.845 -3.217 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.855 3.718 -4.462 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.587 3.647 -5.519 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.895 5.730 -4.521 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.431 7.086 -5.518 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.253 5.396 -6.794 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.322 6.898 -6.798 1.00 0.00 H new ATOM 60 N LYS A 12 -10.455 -0.904 -5.044 1.00 0.00 N ATOM 61 CA LYS A 12 -9.330 -1.403 -5.832 1.00 0.00 C ATOM 62 C LYS A 12 -8.603 -0.251 -6.523 1.00 0.00 C ATOM 63 O LYS A 12 -9.192 0.465 -7.335 1.00 0.00 O ATOM 64 CB LYS A 12 -9.808 -2.416 -6.879 1.00 0.00 C ATOM 65 CG LYS A 12 -10.817 -3.427 -6.352 1.00 0.00 C ATOM 66 CD LYS A 12 -10.220 -4.302 -5.260 1.00 0.00 C ATOM 67 CE LYS A 12 -9.283 -5.358 -5.835 1.00 0.00 C ATOM 68 NZ LYS A 12 -7.863 -4.899 -5.876 1.00 0.00 N ATOM 0 H LYS A 12 -11.286 -0.683 -5.592 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.638 -1.900 -5.151 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.254 -1.876 -7.714 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.944 -2.952 -7.271 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.688 -2.901 -5.961 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.165 -4.055 -7.172 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.675 -3.679 -4.551 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.022 -4.790 -4.705 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.351 -6.265 -5.235 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.607 -5.617 -6.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.550 -4.827 -6.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.786 -3.968 -5.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.263 -5.582 -5.372 1.00 0.00 H new ATOM 82 N VAL A 13 -7.322 -0.076 -6.194 1.00 0.00 N ATOM 83 CA VAL A 13 -6.517 0.993 -6.785 1.00 0.00 C ATOM 84 C VAL A 13 -5.282 0.432 -7.494 1.00 0.00 C ATOM 85 O VAL A 13 -4.530 -0.358 -6.918 1.00 0.00 O ATOM 86 CB VAL A 13 -6.061 2.017 -5.720 1.00 0.00 C ATOM 87 CG1 VAL A 13 -5.414 3.230 -6.377 1.00 0.00 C ATOM 88 CG2 VAL A 13 -7.231 2.445 -4.843 1.00 0.00 C ATOM 0 H VAL A 13 -6.821 -0.659 -5.523 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.154 1.496 -7.512 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.318 1.534 -5.086 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.101 3.937 -5.608 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.545 2.912 -6.953 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.133 3.711 -7.041 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.885 3.165 -4.102 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.002 2.903 -5.463 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.644 1.573 -4.336 1.00 0.00 H new ATOM 98 N LEU A 14 -5.079 0.853 -8.743 1.00 0.00 N ATOM 99 CA LEU A 14 -3.936 0.404 -9.536 1.00 0.00 C ATOM 100 C LEU A 14 -2.848 1.477 -9.570 1.00 0.00 C ATOM 101 O LEU A 14 -3.083 2.594 -10.033 1.00 0.00 O ATOM 102 CB LEU A 14 -4.380 0.065 -10.963 1.00 0.00 C ATOM 103 CG LEU A 14 -3.960 -1.319 -11.465 1.00 0.00 C ATOM 104 CD1 LEU A 14 -4.639 -2.414 -10.654 1.00 0.00 C ATOM 105 CD2 LEU A 14 -4.285 -1.467 -12.945 1.00 0.00 C ATOM 0 H LEU A 14 -5.694 1.507 -9.228 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.527 -0.492 -9.069 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.466 0.139 -11.016 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.976 0.817 -11.640 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.882 -1.420 -11.336 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.327 -3.390 -11.027 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.356 -2.319 -9.606 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.721 -2.319 -10.748 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.981 -2.456 -13.287 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.358 -1.345 -13.096 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.750 -0.706 -13.513 1.00 0.00 H new ATOM 117 N LEU A 15 -1.658 1.131 -9.077 1.00 0.00 N ATOM 118 CA LEU A 15 -0.535 2.067 -9.049 1.00 0.00 C ATOM 119 C LEU A 15 0.529 1.682 -10.075 1.00 0.00 C ATOM 120 O LEU A 15 1.082 0.581 -10.028 1.00 0.00 O ATOM 121 CB LEU A 15 0.081 2.116 -7.647 1.00 0.00 C ATOM 122 CG LEU A 15 -0.470 3.215 -6.733 1.00 0.00 C ATOM 123 CD1 LEU A 15 -1.838 2.825 -6.190 1.00 0.00 C ATOM 124 CD2 LEU A 15 0.499 3.500 -5.594 1.00 0.00 C ATOM 0 H LEU A 15 -1.448 0.210 -8.692 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.915 3.056 -9.307 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.076 1.151 -7.164 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.158 2.252 -7.745 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.583 4.126 -7.321 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.212 3.618 -5.543 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.530 2.676 -7.019 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.753 1.901 -5.618 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.090 4.283 -4.956 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.647 2.594 -5.007 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.455 3.827 -6.003 1.00 0.00 H new ATOM 136 N LEU A 16 0.812 2.601 -10.998 1.00 0.00 N ATOM 137 CA LEU A 16 1.812 2.369 -12.037 1.00 0.00 C ATOM 138 C LEU A 16 3.061 3.209 -11.779 1.00 0.00 C ATOM 139 O LEU A 16 3.009 4.441 -11.817 1.00 0.00 O ATOM 140 CB LEU A 16 1.232 2.701 -13.416 1.00 0.00 C ATOM 141 CG LEU A 16 2.122 2.330 -14.606 1.00 0.00 C ATOM 142 CD1 LEU A 16 2.403 0.835 -14.621 1.00 0.00 C ATOM 143 CD2 LEU A 16 1.470 2.766 -15.910 1.00 0.00 C ATOM 0 H LEU A 16 0.361 3.515 -11.046 1.00 0.00 H new ATOM 0 HA LEU A 16 2.091 1.316 -12.015 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.277 2.187 -13.524 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.025 3.770 -13.457 1.00 0.00 H new ATOM 0 HG LEU A 16 3.073 2.853 -14.502 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.037 0.592 -15.474 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.911 0.551 -13.699 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.463 0.289 -14.700 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.114 2.496 -16.747 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.506 2.269 -16.019 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.322 3.846 -15.900 1.00 0.00 H new ATOM 155 N LYS A 17 4.179 2.535 -11.514 1.00 0.00 N ATOM 156 CA LYS A 17 5.443 3.220 -11.246 1.00 0.00 C ATOM 157 C LYS A 17 6.605 2.537 -11.965 1.00 0.00 C ATOM 158 O LYS A 17 6.611 1.317 -12.139 1.00 0.00 O ATOM 159 CB LYS A 17 5.716 3.269 -9.738 1.00 0.00 C ATOM 160 CG LYS A 17 5.632 1.913 -9.050 1.00 0.00 C ATOM 161 CD LYS A 17 6.994 1.452 -8.551 1.00 0.00 C ATOM 162 CE LYS A 17 7.043 1.396 -7.031 1.00 0.00 C ATOM 163 NZ LYS A 17 8.022 0.387 -6.535 1.00 0.00 N ATOM 0 H LYS A 17 4.236 1.517 -11.479 1.00 0.00 H new ATOM 0 HA LYS A 17 5.357 4.238 -11.626 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.708 3.689 -9.572 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.001 3.947 -9.271 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.938 1.972 -8.212 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.230 1.176 -9.745 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.218 0.467 -8.960 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.765 2.131 -8.916 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.308 2.379 -6.641 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.052 1.157 -6.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.021 0.384 -5.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.756 -0.556 -6.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.973 0.628 -6.880 1.00 0.00 H new ATOM 177 N GLU A 18 7.590 3.335 -12.374 1.00 0.00 N ATOM 178 CA GLU A 18 8.766 2.817 -13.072 1.00 0.00 C ATOM 179 C GLU A 18 9.839 2.370 -12.079 1.00 0.00 C ATOM 180 O GLU A 18 9.717 2.600 -10.874 1.00 0.00 O ATOM 181 CB GLU A 18 9.338 3.884 -14.009 1.00 0.00 C ATOM 182 CG GLU A 18 8.470 4.159 -15.227 1.00 0.00 C ATOM 183 CD GLU A 18 9.191 4.969 -16.288 1.00 0.00 C ATOM 184 OE1 GLU A 18 10.179 4.460 -16.856 1.00 0.00 O ATOM 185 OE2 GLU A 18 8.769 6.116 -16.545 1.00 0.00 O ATOM 0 H GLU A 18 7.597 4.345 -12.234 1.00 0.00 H new ATOM 0 HA GLU A 18 8.457 1.952 -13.659 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.470 4.811 -13.451 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.327 3.569 -14.342 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.144 3.212 -15.657 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.572 4.693 -14.915 1.00 0.00 H new ATOM 192 N ASP A 19 10.893 1.732 -12.594 1.00 0.00 N ATOM 193 CA ASP A 19 11.993 1.255 -11.753 1.00 0.00 C ATOM 194 C ASP A 19 12.639 2.409 -10.987 1.00 0.00 C ATOM 195 O ASP A 19 13.012 2.260 -9.823 1.00 0.00 O ATOM 196 CB ASP A 19 13.048 0.538 -12.603 1.00 0.00 C ATOM 197 CG ASP A 19 12.784 -0.952 -12.724 1.00 0.00 C ATOM 198 OD1 ASP A 19 12.761 -1.640 -11.680 1.00 0.00 O ATOM 199 OD2 ASP A 19 12.604 -1.432 -13.863 1.00 0.00 O ATOM 0 H ASP A 19 11.008 1.534 -13.588 1.00 0.00 H new ATOM 0 HA ASP A 19 11.579 0.550 -11.032 1.00 0.00 H new ATOM 0 HB2 ASP A 19 13.070 0.982 -13.598 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.033 0.694 -12.162 1.00 0.00 H new ATOM 204 N HIS A 20 12.764 3.562 -11.647 1.00 0.00 N ATOM 205 CA HIS A 20 13.359 4.744 -11.025 1.00 0.00 C ATOM 206 C HIS A 20 12.399 5.376 -10.009 1.00 0.00 C ATOM 207 O HIS A 20 12.836 5.989 -9.033 1.00 0.00 O ATOM 208 CB HIS A 20 13.755 5.770 -12.097 1.00 0.00 C ATOM 209 CG HIS A 20 12.595 6.383 -12.824 1.00 0.00 C ATOM 210 ND1 HIS A 20 12.111 7.642 -12.540 1.00 0.00 N ATOM 211 CD2 HIS A 20 11.825 5.907 -13.833 1.00 0.00 C ATOM 212 CE1 HIS A 20 11.095 7.914 -13.339 1.00 0.00 C ATOM 213 NE2 HIS A 20 10.899 6.878 -14.133 1.00 0.00 N ATOM 0 H HIS A 20 12.461 3.701 -12.611 1.00 0.00 H new ATOM 0 HA HIS A 20 14.256 4.430 -10.491 1.00 0.00 H new ATOM 0 HB2 HIS A 20 14.334 6.564 -11.626 1.00 0.00 H new ATOM 0 HB3 HIS A 20 14.409 5.286 -12.823 1.00 0.00 H new ATOM 0 HD1 HIS A 20 12.480 8.267 -11.824 1.00 0.00 H new ATOM 0 HD2 HIS A 20 11.921 4.944 -14.312 1.00 0.00 H new ATOM 0 HE1 HIS A 20 10.522 8.829 -13.342 1.00 0.00 H new ATOM 222 N GLU A 21 11.093 5.224 -10.248 1.00 0.00 N ATOM 223 CA GLU A 21 10.070 5.778 -9.360 1.00 0.00 C ATOM 224 C GLU A 21 10.056 5.066 -8.007 1.00 0.00 C ATOM 225 O GLU A 21 10.457 3.904 -7.900 1.00 0.00 O ATOM 226 CB GLU A 21 8.690 5.670 -10.013 1.00 0.00 C ATOM 227 CG GLU A 21 8.456 6.689 -11.118 1.00 0.00 C ATOM 228 CD GLU A 21 7.040 7.234 -11.120 1.00 0.00 C ATOM 229 OE1 GLU A 21 6.608 7.774 -10.078 1.00 0.00 O ATOM 230 OE2 GLU A 21 6.363 7.122 -12.163 1.00 0.00 O ATOM 0 H GLU A 21 10.720 4.720 -11.052 1.00 0.00 H new ATOM 0 HA GLU A 21 10.313 6.827 -9.190 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.569 4.668 -10.424 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.924 5.795 -9.247 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.159 7.514 -11.001 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.665 6.227 -12.083 1.00 0.00 H new ATOM 237 N GLY A 22 9.590 5.774 -6.976 1.00 0.00 N ATOM 238 CA GLY A 22 9.530 5.203 -5.640 1.00 0.00 C ATOM 239 C GLY A 22 8.128 4.762 -5.246 1.00 0.00 C ATOM 240 O GLY A 22 7.282 4.510 -6.107 1.00 0.00 O ATOM 0 H GLY A 22 9.253 6.734 -7.045 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.203 4.347 -5.586 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.890 5.938 -4.920 1.00 0.00 H new ATOM 244 N LEU A 23 7.887 4.664 -3.935 1.00 0.00 N ATOM 245 CA LEU A 23 6.584 4.242 -3.411 1.00 0.00 C ATOM 246 C LEU A 23 5.500 5.284 -3.698 1.00 0.00 C ATOM 247 O LEU A 23 4.528 4.998 -4.398 1.00 0.00 O ATOM 248 CB LEU A 23 6.675 3.979 -1.901 1.00 0.00 C ATOM 249 CG LEU A 23 6.026 2.675 -1.428 1.00 0.00 C ATOM 250 CD1 LEU A 23 6.780 2.105 -0.235 1.00 0.00 C ATOM 251 CD2 LEU A 23 4.562 2.903 -1.077 1.00 0.00 C ATOM 0 H LEU A 23 8.579 4.872 -3.215 1.00 0.00 H new ATOM 0 HA LEU A 23 6.306 3.319 -3.919 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.726 3.969 -1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.208 4.811 -1.374 1.00 0.00 H new ATOM 0 HG LEU A 23 6.075 1.952 -2.242 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.304 1.179 0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.812 1.903 -0.520 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.764 2.825 0.583 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.118 1.965 -0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.490 3.643 -0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.029 3.264 -1.957 1.00 0.00 H new ATOM 263 N GLY A 24 5.671 6.489 -3.149 1.00 0.00 N ATOM 264 CA GLY A 24 4.696 7.550 -3.359 1.00 0.00 C ATOM 265 C GLY A 24 3.831 7.827 -2.135 1.00 0.00 C ATOM 266 O GLY A 24 3.253 8.908 -2.018 1.00 0.00 O ATOM 0 H GLY A 24 6.466 6.748 -2.564 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.219 8.464 -3.639 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.052 7.281 -4.197 1.00 0.00 H new ATOM 270 N ILE A 25 3.737 6.855 -1.225 1.00 0.00 N ATOM 271 CA ILE A 25 2.933 7.009 -0.011 1.00 0.00 C ATOM 272 C ILE A 25 3.638 6.403 1.203 1.00 0.00 C ATOM 273 O ILE A 25 4.425 5.464 1.069 1.00 0.00 O ATOM 274 CB ILE A 25 1.540 6.353 -0.158 1.00 0.00 C ATOM 275 CG1 ILE A 25 1.662 4.941 -0.742 1.00 0.00 C ATOM 276 CG2 ILE A 25 0.630 7.211 -1.027 1.00 0.00 C ATOM 277 CD1 ILE A 25 1.239 3.850 0.218 1.00 0.00 C ATOM 0 H ILE A 25 4.207 5.954 -1.306 1.00 0.00 H new ATOM 0 HA ILE A 25 2.806 8.081 0.140 1.00 0.00 H new ATOM 0 HB ILE A 25 1.096 6.276 0.835 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.053 4.876 -1.644 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.696 4.769 -1.042 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.345 6.731 -1.118 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.510 8.193 -0.570 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.072 7.323 -2.017 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.352 2.878 -0.263 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.864 3.888 1.110 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.196 3.997 0.499 1.00 0.00 H new ATOM 289 N SER A 26 3.346 6.946 2.386 1.00 0.00 N ATOM 290 CA SER A 26 3.946 6.463 3.628 1.00 0.00 C ATOM 291 C SER A 26 2.938 5.651 4.444 1.00 0.00 C ATOM 292 O SER A 26 1.771 6.033 4.567 1.00 0.00 O ATOM 293 CB SER A 26 4.470 7.638 4.457 1.00 0.00 C ATOM 294 OG SER A 26 5.755 7.358 4.982 1.00 0.00 O ATOM 0 H SER A 26 2.696 7.722 2.509 1.00 0.00 H new ATOM 0 HA SER A 26 4.781 5.811 3.370 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.514 8.533 3.837 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.778 7.849 5.273 1.00 0.00 H new ATOM 0 HG SER A 26 6.068 8.125 5.506 1.00 0.00 H new ATOM 300 N ILE A 27 3.400 4.528 4.995 1.00 0.00 N ATOM 301 CA ILE A 27 2.545 3.651 5.796 1.00 0.00 C ATOM 302 C ILE A 27 3.062 3.517 7.228 1.00 0.00 C ATOM 303 O ILE A 27 4.244 3.748 7.498 1.00 0.00 O ATOM 304 CB ILE A 27 2.433 2.242 5.171 1.00 0.00 C ATOM 305 CG1 ILE A 27 3.820 1.694 4.813 1.00 0.00 C ATOM 306 CG2 ILE A 27 1.537 2.275 3.940 1.00 0.00 C ATOM 307 CD1 ILE A 27 3.837 0.204 4.549 1.00 0.00 C ATOM 0 H ILE A 27 4.363 4.204 4.901 1.00 0.00 H new ATOM 0 HA ILE A 27 1.559 4.115 5.813 1.00 0.00 H new ATOM 0 HB ILE A 27 1.984 1.576 5.908 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.189 2.215 3.929 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.510 1.918 5.627 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.469 1.275 3.512 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.542 2.617 4.224 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.958 2.957 3.202 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.851 -0.110 4.302 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.499 -0.327 5.439 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.173 -0.025 3.715 1.00 0.00 H new ATOM 319 N THR A 28 2.170 3.132 8.142 1.00 0.00 N ATOM 320 CA THR A 28 2.533 2.959 9.547 1.00 0.00 C ATOM 321 C THR A 28 1.767 1.791 10.175 1.00 0.00 C ATOM 322 O THR A 28 0.643 1.483 9.770 1.00 0.00 O ATOM 323 CB THR A 28 2.274 4.251 10.335 1.00 0.00 C ATOM 324 OG1 THR A 28 2.582 4.072 11.708 1.00 0.00 O ATOM 325 CG2 THR A 28 0.841 4.743 10.244 1.00 0.00 C ATOM 0 H THR A 28 1.191 2.934 7.933 1.00 0.00 H new ATOM 0 HA THR A 28 3.598 2.730 9.591 1.00 0.00 H new ATOM 0 HB THR A 28 2.922 4.998 9.877 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.412 4.907 12.193 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.733 5.659 10.825 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.590 4.942 9.202 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.169 3.981 10.640 1.00 0.00 H new ATOM 333 N GLY A 29 2.390 1.148 11.166 1.00 0.00 N ATOM 334 CA GLY A 29 1.768 0.020 11.844 1.00 0.00 C ATOM 335 C GLY A 29 2.599 -1.249 11.743 1.00 0.00 C ATOM 336 O GLY A 29 3.803 -1.187 11.486 1.00 0.00 O ATOM 0 H GLY A 29 3.319 1.391 11.511 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.617 0.269 12.894 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.782 -0.160 11.415 1.00 0.00 H new ATOM 340 N GLY A 30 1.958 -2.402 11.946 1.00 0.00 N ATOM 341 CA GLY A 30 2.664 -3.673 11.870 1.00 0.00 C ATOM 342 C GLY A 30 1.910 -4.806 12.544 1.00 0.00 C ATOM 343 O GLY A 30 1.584 -4.723 13.730 1.00 0.00 O ATOM 0 H GLY A 30 0.964 -2.478 12.161 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.834 -3.927 10.824 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.644 -3.567 12.335 1.00 0.00 H new ATOM 347 N LYS A 31 1.637 -5.868 11.784 1.00 0.00 N ATOM 348 CA LYS A 31 0.919 -7.033 12.307 1.00 0.00 C ATOM 349 C LYS A 31 1.624 -7.622 13.531 1.00 0.00 C ATOM 350 O LYS A 31 0.968 -8.057 14.479 1.00 0.00 O ATOM 351 CB LYS A 31 0.780 -8.102 11.219 1.00 0.00 C ATOM 352 CG LYS A 31 -0.328 -9.109 11.487 1.00 0.00 C ATOM 353 CD LYS A 31 -1.702 -8.519 11.211 1.00 0.00 C ATOM 354 CE LYS A 31 -2.814 -9.435 11.703 1.00 0.00 C ATOM 355 NZ LYS A 31 -3.234 -9.114 13.098 1.00 0.00 N ATOM 0 H LYS A 31 1.903 -5.946 10.802 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.072 -6.701 12.615 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.590 -7.613 10.264 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.726 -8.634 11.122 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.178 -9.990 10.863 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.276 -9.440 12.524 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.787 -7.548 11.699 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.817 -8.348 10.141 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.673 -9.350 11.038 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.477 -10.470 11.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.993 -9.763 13.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.421 -9.221 13.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.581 -8.135 13.139 1.00 0.00 H new ATOM 369 N GLU A 32 2.960 -7.628 13.508 1.00 0.00 N ATOM 370 CA GLU A 32 3.746 -8.157 14.624 1.00 0.00 C ATOM 371 C GLU A 32 3.603 -7.267 15.862 1.00 0.00 C ATOM 372 O GLU A 32 3.659 -7.749 16.993 1.00 0.00 O ATOM 373 CB GLU A 32 5.222 -8.275 14.233 1.00 0.00 C ATOM 374 CG GLU A 32 5.940 -9.432 14.915 1.00 0.00 C ATOM 375 CD GLU A 32 7.422 -9.488 14.590 1.00 0.00 C ATOM 376 OE1 GLU A 32 7.772 -9.489 13.389 1.00 0.00 O ATOM 377 OE2 GLU A 32 8.235 -9.536 15.537 1.00 0.00 O ATOM 0 H GLU A 32 3.518 -7.273 12.731 1.00 0.00 H new ATOM 0 HA GLU A 32 3.364 -9.149 14.864 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.295 -8.399 13.153 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.731 -7.344 14.482 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.814 -9.345 15.994 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.473 -10.370 14.614 1.00 0.00 H new ATOM 384 N HIS A 33 3.410 -5.966 15.637 1.00 0.00 N ATOM 385 CA HIS A 33 3.250 -5.008 16.728 1.00 0.00 C ATOM 386 C HIS A 33 1.845 -5.097 17.337 1.00 0.00 C ATOM 387 O HIS A 33 1.661 -4.843 18.528 1.00 0.00 O ATOM 388 CB HIS A 33 3.524 -3.586 16.221 1.00 0.00 C ATOM 389 CG HIS A 33 3.353 -2.526 17.265 1.00 0.00 C ATOM 390 ND1 HIS A 33 4.312 -2.237 18.214 1.00 0.00 N ATOM 391 CD2 HIS A 33 2.323 -1.681 17.505 1.00 0.00 C ATOM 392 CE1 HIS A 33 3.879 -1.261 18.992 1.00 0.00 C ATOM 393 NE2 HIS A 33 2.676 -0.905 18.581 1.00 0.00 N ATOM 0 H HIS A 33 3.361 -5.553 14.706 1.00 0.00 H new ATOM 0 HA HIS A 33 3.970 -5.252 17.509 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.541 -3.539 15.833 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.855 -3.373 15.388 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.396 -1.627 16.953 1.00 0.00 H new ATOM 0 HE1 HIS A 33 4.417 -0.828 19.822 1.00 0.00 H new ATOM 0 HE2 HIS A 33 2.101 -0.172 18.996 1.00 0.00 H new ATOM 402 N GLY A 34 0.861 -5.462 16.511 1.00 0.00 N ATOM 403 CA GLY A 34 -0.512 -5.583 16.981 1.00 0.00 C ATOM 404 C GLY A 34 -1.454 -4.574 16.340 1.00 0.00 C ATOM 405 O GLY A 34 -2.517 -4.282 16.890 1.00 0.00 O ATOM 0 H GLY A 34 0.992 -5.676 15.522 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.873 -6.590 16.774 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.532 -5.453 18.063 1.00 0.00 H new ATOM 409 N VAL A 35 -1.073 -4.046 15.176 1.00 0.00 N ATOM 410 CA VAL A 35 -1.899 -3.072 14.470 1.00 0.00 C ATOM 411 C VAL A 35 -1.693 -3.176 12.953 1.00 0.00 C ATOM 412 O VAL A 35 -0.558 -3.195 12.477 1.00 0.00 O ATOM 413 CB VAL A 35 -1.590 -1.632 14.944 1.00 0.00 C ATOM 414 CG1 VAL A 35 -0.137 -1.267 14.669 1.00 0.00 C ATOM 415 CG2 VAL A 35 -2.534 -0.627 14.294 1.00 0.00 C ATOM 0 H VAL A 35 -0.199 -4.278 14.705 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.940 -3.298 14.700 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.749 -1.594 16.022 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.054 -0.250 15.012 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.518 -1.958 15.200 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.058 -1.332 13.599 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.294 0.377 14.645 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.421 -0.669 13.211 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.563 -0.869 14.561 1.00 0.00 H new ATOM 425 N PRO A 36 -2.787 -3.245 12.171 1.00 0.00 N ATOM 426 CA PRO A 36 -2.708 -3.344 10.706 1.00 0.00 C ATOM 427 C PRO A 36 -2.026 -2.127 10.079 1.00 0.00 C ATOM 428 O PRO A 36 -2.039 -1.035 10.651 1.00 0.00 O ATOM 429 CB PRO A 36 -4.175 -3.426 10.263 1.00 0.00 C ATOM 430 CG PRO A 36 -4.928 -3.829 11.487 1.00 0.00 C ATOM 431 CD PRO A 36 -4.181 -3.233 12.644 1.00 0.00 C ATOM 0 HA PRO A 36 -2.112 -4.200 10.391 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.526 -2.467 9.882 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -4.305 -4.154 9.462 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -5.954 -3.462 11.453 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.981 -4.914 11.574 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -4.523 -2.223 12.870 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.305 -3.822 13.553 1.00 0.00 H new ATOM 439 N ILE A 37 -1.431 -2.321 8.899 1.00 0.00 N ATOM 440 CA ILE A 37 -0.747 -1.239 8.198 1.00 0.00 C ATOM 441 C ILE A 37 -1.744 -0.394 7.409 1.00 0.00 C ATOM 442 O ILE A 37 -2.645 -0.930 6.757 1.00 0.00 O ATOM 443 CB ILE A 37 0.340 -1.775 7.236 1.00 0.00 C ATOM 444 CG1 ILE A 37 1.234 -2.801 7.943 1.00 0.00 C ATOM 445 CG2 ILE A 37 1.179 -0.627 6.693 1.00 0.00 C ATOM 446 CD1 ILE A 37 1.976 -3.715 6.989 1.00 0.00 C ATOM 0 H ILE A 37 -1.411 -3.217 8.412 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.264 -0.623 8.957 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.156 -2.271 6.402 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.957 -2.274 8.565 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.621 -3.406 8.611 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.939 -1.020 6.018 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.537 0.068 6.152 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.662 -0.106 7.520 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.589 -4.415 7.558 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.258 -4.270 6.384 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.616 -3.119 6.338 1.00 0.00 H new ATOM 458 N LEU A 38 -1.585 0.929 7.474 1.00 0.00 N ATOM 459 CA LEU A 38 -2.483 1.841 6.769 1.00 0.00 C ATOM 460 C LEU A 38 -1.729 3.034 6.175 1.00 0.00 C ATOM 461 O LEU A 38 -0.593 3.321 6.561 1.00 0.00 O ATOM 462 CB LEU A 38 -3.580 2.338 7.716 1.00 0.00 C ATOM 463 CG LEU A 38 -3.095 3.198 8.888 1.00 0.00 C ATOM 464 CD1 LEU A 38 -3.890 4.493 8.966 1.00 0.00 C ATOM 465 CD2 LEU A 38 -3.198 2.423 10.194 1.00 0.00 C ATOM 0 H LEU A 38 -0.846 1.390 8.005 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.935 1.287 5.946 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.302 2.915 7.138 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.110 1.474 8.116 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.048 3.451 8.721 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.531 5.090 9.804 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.763 5.054 8.040 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.946 4.264 9.110 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.850 3.048 11.016 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.236 2.140 10.368 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.582 1.526 10.134 1.00 0.00 H new ATOM 477 N ILE A 39 -2.380 3.730 5.240 1.00 0.00 N ATOM 478 CA ILE A 39 -1.790 4.900 4.590 1.00 0.00 C ATOM 479 C ILE A 39 -2.082 6.163 5.392 1.00 0.00 C ATOM 480 O ILE A 39 -3.240 6.471 5.679 1.00 0.00 O ATOM 481 CB ILE A 39 -2.328 5.097 3.153 1.00 0.00 C ATOM 482 CG1 ILE A 39 -2.447 3.756 2.422 1.00 0.00 C ATOM 483 CG2 ILE A 39 -1.430 6.053 2.376 1.00 0.00 C ATOM 484 CD1 ILE A 39 -1.130 3.026 2.269 1.00 0.00 C ATOM 0 H ILE A 39 -3.320 3.501 4.916 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.716 4.722 4.543 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.325 5.533 3.220 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.145 3.118 2.964 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.874 3.928 1.434 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.822 6.181 1.367 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.404 7.019 2.881 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.421 5.643 2.324 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.294 2.086 1.742 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.435 3.644 1.700 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.711 2.821 3.254 1.00 0.00 H new ATOM 496 N SER A 40 -1.026 6.890 5.746 1.00 0.00 N ATOM 497 CA SER A 40 -1.164 8.126 6.513 1.00 0.00 C ATOM 498 C SER A 40 -0.657 9.328 5.717 1.00 0.00 C ATOM 499 O SER A 40 -1.322 10.364 5.655 1.00 0.00 O ATOM 500 CB SER A 40 -0.404 8.022 7.838 1.00 0.00 C ATOM 501 OG SER A 40 0.718 7.160 7.722 1.00 0.00 O ATOM 0 H SER A 40 -0.064 6.645 5.514 1.00 0.00 H new ATOM 0 HA SER A 40 -2.224 8.272 6.720 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.073 9.013 8.149 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.072 7.650 8.615 1.00 0.00 H new ATOM 0 HG SER A 40 1.185 7.114 8.582 1.00 0.00 H new ATOM 507 N GLU A 41 0.524 9.185 5.114 1.00 0.00 N ATOM 508 CA GLU A 41 1.118 10.263 4.327 1.00 0.00 C ATOM 509 C GLU A 41 1.140 9.915 2.841 1.00 0.00 C ATOM 510 O GLU A 41 1.300 8.751 2.467 1.00 0.00 O ATOM 511 CB GLU A 41 2.540 10.557 4.811 1.00 0.00 C ATOM 512 CG GLU A 41 2.598 11.213 6.183 1.00 0.00 C ATOM 513 CD GLU A 41 3.984 11.719 6.539 1.00 0.00 C ATOM 514 OE1 GLU A 41 4.669 12.268 5.648 1.00 0.00 O ATOM 515 OE2 GLU A 41 4.386 11.566 7.712 1.00 0.00 O ATOM 0 H GLU A 41 1.086 8.335 5.156 1.00 0.00 H new ATOM 0 HA GLU A 41 0.502 11.152 4.463 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.104 9.625 4.840 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.033 11.206 4.087 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.895 12.045 6.212 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.274 10.496 6.937 1.00 0.00 H new ATOM 522 N ILE A 42 0.980 10.935 1.999 1.00 0.00 N ATOM 523 CA ILE A 42 0.981 10.750 0.551 1.00 0.00 C ATOM 524 C ILE A 42 1.904 11.768 -0.121 1.00 0.00 C ATOM 525 O ILE A 42 1.631 12.970 -0.104 1.00 0.00 O ATOM 526 CB ILE A 42 -0.443 10.886 -0.037 1.00 0.00 C ATOM 527 CG1 ILE A 42 -1.439 10.023 0.749 1.00 0.00 C ATOM 528 CG2 ILE A 42 -0.453 10.503 -1.512 1.00 0.00 C ATOM 529 CD1 ILE A 42 -2.865 10.524 0.669 1.00 0.00 C ATOM 0 H ILE A 42 0.848 11.901 2.298 1.00 0.00 H new ATOM 0 HA ILE A 42 1.345 9.742 0.353 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.749 11.928 0.050 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.399 9.001 0.372 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.132 9.989 1.794 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.464 10.605 -1.908 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.220 11.160 -2.063 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.123 9.470 -1.622 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.515 9.867 1.247 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.919 11.535 1.073 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.190 10.532 -0.371 1.00 0.00 H new ATOM 541 N HIS A 43 2.996 11.280 -0.710 1.00 0.00 N ATOM 542 CA HIS A 43 3.957 12.149 -1.385 1.00 0.00 C ATOM 543 C HIS A 43 3.361 12.730 -2.667 1.00 0.00 C ATOM 544 O HIS A 43 2.901 11.987 -3.536 1.00 0.00 O ATOM 545 CB HIS A 43 5.240 11.381 -1.712 1.00 0.00 C ATOM 546 CG HIS A 43 6.146 11.190 -0.534 1.00 0.00 C ATOM 547 ND1 HIS A 43 6.969 12.184 -0.048 1.00 0.00 N ATOM 548 CD2 HIS A 43 6.358 10.110 0.257 1.00 0.00 C ATOM 549 CE1 HIS A 43 7.647 11.725 0.988 1.00 0.00 C ATOM 550 NE2 HIS A 43 7.294 10.470 1.194 1.00 0.00 N ATOM 0 H HIS A 43 3.236 10.289 -0.733 1.00 0.00 H new ATOM 0 HA HIS A 43 4.197 12.970 -0.709 1.00 0.00 H new ATOM 0 HB2 HIS A 43 4.975 10.404 -2.117 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.782 11.914 -2.493 1.00 0.00 H new ATOM 0 HD2 HIS A 43 5.880 9.146 0.167 1.00 0.00 H new ATOM 0 HE1 HIS A 43 8.368 12.282 1.568 1.00 0.00 H new ATOM 0 HE2 HIS A 43 7.658 9.865 1.930 1.00 0.00 H new ATOM 559 N PRO A 44 3.358 14.072 -2.798 1.00 0.00 N ATOM 560 CA PRO A 44 2.810 14.752 -3.977 1.00 0.00 C ATOM 561 C PRO A 44 3.678 14.565 -5.221 1.00 0.00 C ATOM 562 O PRO A 44 4.903 14.475 -5.127 1.00 0.00 O ATOM 563 CB PRO A 44 2.783 16.224 -3.562 1.00 0.00 C ATOM 564 CG PRO A 44 3.845 16.348 -2.525 1.00 0.00 C ATOM 565 CD PRO A 44 3.882 15.029 -1.803 1.00 0.00 C ATOM 0 HA PRO A 44 1.833 14.354 -4.253 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.981 16.878 -4.411 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.808 16.505 -3.165 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.810 16.570 -2.981 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.623 17.163 -1.836 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.894 14.770 -1.493 1.00 0.00 H new ATOM 0 HD3 PRO A 44 3.268 15.048 -0.903 1.00 0.00 H new ATOM 573 N GLY A 45 3.030 14.512 -6.385 1.00 0.00 N ATOM 574 CA GLY A 45 3.751 14.338 -7.635 1.00 0.00 C ATOM 575 C GLY A 45 4.191 12.902 -7.859 1.00 0.00 C ATOM 576 O GLY A 45 5.303 12.652 -8.327 1.00 0.00 O ATOM 0 H GLY A 45 2.017 14.587 -6.483 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.116 14.653 -8.463 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.626 14.987 -7.639 1.00 0.00 H new ATOM 580 N GLN A 46 3.312 11.960 -7.523 1.00 0.00 N ATOM 581 CA GLN A 46 3.598 10.538 -7.685 1.00 0.00 C ATOM 582 C GLN A 46 2.360 9.800 -8.198 1.00 0.00 C ATOM 583 O GLN A 46 1.280 10.386 -8.288 1.00 0.00 O ATOM 584 CB GLN A 46 4.059 9.942 -6.349 1.00 0.00 C ATOM 585 CG GLN A 46 5.470 9.375 -6.391 1.00 0.00 C ATOM 586 CD GLN A 46 6.516 10.369 -5.919 1.00 0.00 C ATOM 587 OE1 GLN A 46 7.427 10.727 -6.663 1.00 0.00 O ATOM 588 NE2 GLN A 46 6.391 10.819 -4.676 1.00 0.00 N ATOM 0 H GLN A 46 2.390 12.159 -7.134 1.00 0.00 H new ATOM 0 HA GLN A 46 4.396 10.421 -8.418 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.009 10.713 -5.580 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.367 9.152 -6.055 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.517 8.482 -5.768 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.703 9.066 -7.410 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.620 10.496 -4.092 1.00 0.00 H new ATOM 0 HE22 GLN A 46 7.066 11.488 -4.305 1.00 0.00 H new ATOM 597 N PRO A 47 2.494 8.498 -8.537 1.00 0.00 N ATOM 598 CA PRO A 47 1.372 7.689 -9.035 1.00 0.00 C ATOM 599 C PRO A 47 0.146 7.759 -8.125 1.00 0.00 C ATOM 600 O PRO A 47 -0.988 7.676 -8.597 1.00 0.00 O ATOM 601 CB PRO A 47 1.938 6.268 -9.053 1.00 0.00 C ATOM 602 CG PRO A 47 3.405 6.451 -9.206 1.00 0.00 C ATOM 603 CD PRO A 47 3.741 7.713 -8.460 1.00 0.00 C ATOM 0 HA PRO A 47 1.023 8.040 -10.006 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.699 5.734 -8.133 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.523 5.686 -9.876 1.00 0.00 H new ATOM 0 HG2 PRO A 47 3.950 5.599 -8.799 1.00 0.00 H new ATOM 0 HG3 PRO A 47 3.681 6.533 -10.257 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.023 7.507 -7.427 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.577 8.241 -8.919 1.00 0.00 H new ATOM 611 N ALA A 48 0.382 7.916 -6.819 1.00 0.00 N ATOM 612 CA ALA A 48 -0.704 8.001 -5.844 1.00 0.00 C ATOM 613 C ALA A 48 -1.658 9.151 -6.176 1.00 0.00 C ATOM 614 O ALA A 48 -2.879 8.981 -6.156 1.00 0.00 O ATOM 615 CB ALA A 48 -0.146 8.167 -4.436 1.00 0.00 C ATOM 0 H ALA A 48 1.316 7.987 -6.415 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.268 7.070 -5.891 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.969 8.229 -3.724 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.483 7.311 -4.191 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.447 9.080 -4.385 1.00 0.00 H new ATOM 621 N ASP A 49 -1.091 10.319 -6.490 1.00 0.00 N ATOM 622 CA ASP A 49 -1.890 11.495 -6.835 1.00 0.00 C ATOM 623 C ASP A 49 -2.555 11.313 -8.198 1.00 0.00 C ATOM 624 O ASP A 49 -3.729 11.639 -8.372 1.00 0.00 O ATOM 625 CB ASP A 49 -1.017 12.759 -6.848 1.00 0.00 C ATOM 626 CG ASP A 49 -1.040 13.519 -5.531 1.00 0.00 C ATOM 627 OD1 ASP A 49 -2.006 13.354 -4.755 1.00 0.00 O ATOM 628 OD2 ASP A 49 -0.090 14.288 -5.281 1.00 0.00 O ATOM 0 H ASP A 49 -0.083 10.474 -6.512 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.664 11.609 -6.077 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.011 12.480 -7.081 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.357 13.419 -7.646 1.00 0.00 H new ATOM 633 N ARG A 50 -1.794 10.789 -9.159 1.00 0.00 N ATOM 634 CA ARG A 50 -2.306 10.558 -10.511 1.00 0.00 C ATOM 635 C ARG A 50 -3.504 9.606 -10.501 1.00 0.00 C ATOM 636 O ARG A 50 -4.386 9.708 -11.353 1.00 0.00 O ATOM 637 CB ARG A 50 -1.203 9.996 -11.412 1.00 0.00 C ATOM 638 CG ARG A 50 -0.023 10.939 -11.596 1.00 0.00 C ATOM 639 CD ARG A 50 -0.392 12.142 -12.453 1.00 0.00 C ATOM 640 NE ARG A 50 -0.958 13.233 -11.658 1.00 0.00 N ATOM 641 CZ ARG A 50 -1.190 14.462 -12.130 1.00 0.00 C ATOM 642 NH1 ARG A 50 -0.892 14.769 -13.389 1.00 0.00 N ATOM 643 NH2 ARG A 50 -1.722 15.387 -11.338 1.00 0.00 N ATOM 0 H ARG A 50 -0.820 10.516 -9.027 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.638 11.518 -10.906 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.844 9.057 -10.990 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.627 9.764 -12.389 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.326 11.280 -10.621 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.804 10.401 -12.060 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.495 12.498 -12.977 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.111 11.838 -13.214 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.190 13.044 -10.683 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.483 14.064 -14.003 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.072 15.709 -13.741 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.953 15.159 -10.371 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.899 16.325 -11.697 1.00 0.00 H new ATOM 657 N CYS A 51 -3.533 8.683 -9.535 1.00 0.00 N ATOM 658 CA CYS A 51 -4.630 7.724 -9.429 1.00 0.00 C ATOM 659 C CYS A 51 -5.852 8.348 -8.752 1.00 0.00 C ATOM 660 O CYS A 51 -6.983 7.934 -9.006 1.00 0.00 O ATOM 661 CB CYS A 51 -4.182 6.493 -8.637 1.00 0.00 C ATOM 662 SG CYS A 51 -2.963 5.464 -9.488 1.00 0.00 S ATOM 0 H CYS A 51 -2.812 8.582 -8.820 1.00 0.00 H new ATOM 0 HA CYS A 51 -4.909 7.428 -10.440 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -3.763 6.820 -7.685 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.057 5.885 -8.408 1.00 0.00 H new ATOM 0 HG CYS A 51 -3.439 4.264 -9.640 1.00 0.00 H new ATOM 668 N GLY A 52 -5.622 9.338 -7.886 1.00 0.00 N ATOM 669 CA GLY A 52 -6.721 9.987 -7.186 1.00 0.00 C ATOM 670 C GLY A 52 -7.456 9.047 -6.236 1.00 0.00 C ATOM 671 O GLY A 52 -8.583 9.333 -5.825 1.00 0.00 O ATOM 0 H GLY A 52 -4.696 9.700 -7.658 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.335 10.837 -6.622 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.427 10.383 -7.916 1.00 0.00 H new ATOM 675 N GLY A 53 -6.818 7.923 -5.889 1.00 0.00 N ATOM 676 CA GLY A 53 -7.429 6.954 -4.990 1.00 0.00 C ATOM 677 C GLY A 53 -6.695 6.826 -3.664 1.00 0.00 C ATOM 678 O GLY A 53 -7.313 6.538 -2.638 1.00 0.00 O ATOM 0 H GLY A 53 -5.886 7.669 -6.217 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -8.462 7.244 -4.800 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.456 5.980 -5.479 1.00 0.00 H new ATOM 682 N LEU A 54 -5.377 7.040 -3.682 1.00 0.00 N ATOM 683 CA LEU A 54 -4.568 6.949 -2.468 1.00 0.00 C ATOM 684 C LEU A 54 -4.879 8.109 -1.522 1.00 0.00 C ATOM 685 O LEU A 54 -4.245 9.164 -1.586 1.00 0.00 O ATOM 686 CB LEU A 54 -3.074 6.940 -2.820 1.00 0.00 C ATOM 687 CG LEU A 54 -2.354 5.604 -2.606 1.00 0.00 C ATOM 688 CD1 LEU A 54 -2.276 5.267 -1.125 1.00 0.00 C ATOM 689 CD2 LEU A 54 -3.045 4.489 -3.379 1.00 0.00 C ATOM 0 H LEU A 54 -4.850 7.277 -4.523 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.816 6.015 -1.963 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.963 7.229 -3.865 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.573 7.702 -2.223 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.337 5.700 -2.987 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.761 4.315 -0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.727 6.050 -0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.283 5.194 -0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.517 3.550 -3.213 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.075 4.392 -3.035 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.038 4.726 -4.443 1.00 0.00 H new ATOM 701 N HIS A 55 -5.866 7.906 -0.649 1.00 0.00 N ATOM 702 CA HIS A 55 -6.270 8.932 0.310 1.00 0.00 C ATOM 703 C HIS A 55 -5.800 8.577 1.718 1.00 0.00 C ATOM 704 O HIS A 55 -5.564 7.408 2.028 1.00 0.00 O ATOM 705 CB HIS A 55 -7.796 9.116 0.292 1.00 0.00 C ATOM 706 CG HIS A 55 -8.566 7.852 0.545 1.00 0.00 C ATOM 707 ND1 HIS A 55 -8.483 7.142 1.726 1.00 0.00 N ATOM 708 CD2 HIS A 55 -9.427 7.162 -0.243 1.00 0.00 C ATOM 709 CE1 HIS A 55 -9.252 6.073 1.651 1.00 0.00 C ATOM 710 NE2 HIS A 55 -9.836 6.063 0.468 1.00 0.00 N ATOM 0 H HIS A 55 -6.400 7.039 -0.587 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.800 9.871 0.017 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -8.072 9.854 1.045 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -8.091 9.522 -0.675 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -9.734 7.428 -1.244 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -9.382 5.332 2.426 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.487 5.352 0.136 1.00 0.00 H new ATOM 719 N VAL A 56 -5.670 9.593 2.570 1.00 0.00 N ATOM 720 CA VAL A 56 -5.233 9.383 3.947 1.00 0.00 C ATOM 721 C VAL A 56 -6.258 8.551 4.718 1.00 0.00 C ATOM 722 O VAL A 56 -7.463 8.793 4.625 1.00 0.00 O ATOM 723 CB VAL A 56 -5.005 10.719 4.686 1.00 0.00 C ATOM 724 CG1 VAL A 56 -4.378 10.480 6.053 1.00 0.00 C ATOM 725 CG2 VAL A 56 -4.140 11.657 3.857 1.00 0.00 C ATOM 0 H VAL A 56 -5.861 10.566 2.331 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.285 8.847 3.901 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.976 11.192 4.833 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.226 11.435 6.556 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -5.040 9.855 6.653 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.418 9.978 5.930 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.994 12.591 4.399 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.173 11.190 3.671 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.633 11.862 2.907 1.00 0.00 H new ATOM 735 N GLY A 57 -5.769 7.568 5.473 1.00 0.00 N ATOM 736 CA GLY A 57 -6.650 6.708 6.247 1.00 0.00 C ATOM 737 C GLY A 57 -7.096 5.484 5.467 1.00 0.00 C ATOM 738 O GLY A 57 -8.278 5.141 5.463 1.00 0.00 O ATOM 0 H GLY A 57 -4.776 7.352 5.562 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.137 6.390 7.155 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.526 7.276 6.558 1.00 0.00 H new ATOM 742 N ASP A 58 -6.145 4.828 4.804 1.00 0.00 N ATOM 743 CA ASP A 58 -6.436 3.634 4.016 1.00 0.00 C ATOM 744 C ASP A 58 -5.799 2.397 4.649 1.00 0.00 C ATOM 745 O ASP A 58 -4.586 2.354 4.847 1.00 0.00 O ATOM 746 CB ASP A 58 -5.934 3.817 2.578 1.00 0.00 C ATOM 747 CG ASP A 58 -7.058 3.804 1.556 1.00 0.00 C ATOM 748 OD1 ASP A 58 -8.085 3.132 1.802 1.00 0.00 O ATOM 749 OD2 ASP A 58 -6.912 4.465 0.505 1.00 0.00 O ATOM 0 H ASP A 58 -5.163 5.105 4.798 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.516 3.488 3.997 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.393 4.760 2.504 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.225 3.023 2.342 1.00 0.00 H new ATOM 754 N ALA A 59 -6.619 1.392 4.963 1.00 0.00 N ATOM 755 CA ALA A 59 -6.123 0.158 5.576 1.00 0.00 C ATOM 756 C ALA A 59 -5.772 -0.882 4.517 1.00 0.00 C ATOM 757 O ALA A 59 -6.621 -1.282 3.720 1.00 0.00 O ATOM 758 CB ALA A 59 -7.145 -0.407 6.553 1.00 0.00 C ATOM 0 H ALA A 59 -7.626 1.408 4.804 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.214 0.403 6.125 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.756 -1.323 6.997 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.339 0.323 7.339 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.072 -0.625 6.024 1.00 0.00 H new ATOM 764 N ILE A 60 -4.514 -1.315 4.516 1.00 0.00 N ATOM 765 CA ILE A 60 -4.039 -2.308 3.556 1.00 0.00 C ATOM 766 C ILE A 60 -4.555 -3.706 3.891 1.00 0.00 C ATOM 767 O ILE A 60 -4.701 -4.061 5.063 1.00 0.00 O ATOM 768 CB ILE A 60 -2.497 -2.356 3.506 1.00 0.00 C ATOM 769 CG1 ILE A 60 -1.912 -0.954 3.315 1.00 0.00 C ATOM 770 CG2 ILE A 60 -2.032 -3.285 2.393 1.00 0.00 C ATOM 771 CD1 ILE A 60 -0.633 -0.729 4.090 1.00 0.00 C ATOM 0 H ILE A 60 -3.803 -0.992 5.172 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.426 -2.001 2.584 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.137 -2.745 4.458 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.720 -0.789 2.255 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.651 -0.214 3.624 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.942 -3.309 2.370 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.413 -4.290 2.575 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.407 -2.923 1.436 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.272 0.284 3.910 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.825 -0.862 5.155 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.121 -1.446 3.764 1.00 0.00 H new ATOM 783 N LEU A 61 -4.815 -4.499 2.851 1.00 0.00 N ATOM 784 CA LEU A 61 -5.301 -5.866 3.026 1.00 0.00 C ATOM 785 C LEU A 61 -4.604 -6.827 2.058 1.00 0.00 C ATOM 786 O LEU A 61 -4.062 -7.851 2.478 1.00 0.00 O ATOM 787 CB LEU A 61 -6.819 -5.926 2.832 1.00 0.00 C ATOM 788 CG LEU A 61 -7.645 -5.295 3.959 1.00 0.00 C ATOM 789 CD1 LEU A 61 -9.132 -5.382 3.647 1.00 0.00 C ATOM 790 CD2 LEU A 61 -7.343 -5.969 5.289 1.00 0.00 C ATOM 0 H LEU A 61 -4.697 -4.217 1.878 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.065 -6.178 4.044 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.070 -5.427 1.896 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.115 -6.970 2.726 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.368 -4.243 4.035 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.701 -4.929 4.459 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.340 -4.852 2.718 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.421 -6.428 3.541 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.940 -5.506 6.075 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.588 -7.029 5.224 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.284 -5.855 5.522 1.00 0.00 H new ATOM 802 N ALA A 62 -4.621 -6.495 0.763 1.00 0.00 N ATOM 803 CA ALA A 62 -3.989 -7.337 -0.253 1.00 0.00 C ATOM 804 C ALA A 62 -3.155 -6.511 -1.233 1.00 0.00 C ATOM 805 O ALA A 62 -3.509 -5.377 -1.565 1.00 0.00 O ATOM 806 CB ALA A 62 -5.043 -8.142 -1.001 1.00 0.00 C ATOM 0 H ALA A 62 -5.064 -5.652 0.397 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.313 -8.023 0.258 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.559 -8.764 -1.754 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.583 -8.777 -0.298 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.743 -7.462 -1.487 1.00 0.00 H new ATOM 812 N VAL A 63 -2.048 -7.096 -1.695 1.00 0.00 N ATOM 813 CA VAL A 63 -1.155 -6.434 -2.643 1.00 0.00 C ATOM 814 C VAL A 63 -0.828 -7.367 -3.807 1.00 0.00 C ATOM 815 O VAL A 63 -0.229 -8.427 -3.613 1.00 0.00 O ATOM 816 CB VAL A 63 0.158 -5.979 -1.971 1.00 0.00 C ATOM 817 CG1 VAL A 63 0.972 -5.106 -2.918 1.00 0.00 C ATOM 818 CG2 VAL A 63 -0.133 -5.243 -0.670 1.00 0.00 C ATOM 0 H VAL A 63 -1.749 -8.033 -1.425 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.676 -5.551 -3.013 1.00 0.00 H new ATOM 0 HB VAL A 63 0.748 -6.865 -1.735 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.893 -4.796 -2.425 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.214 -5.672 -3.817 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.391 -4.224 -3.190 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.805 -4.930 -0.211 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.746 -4.366 -0.877 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.667 -5.906 0.011 1.00 0.00 H new ATOM 828 N ASN A 64 -1.235 -6.966 -5.012 1.00 0.00 N ATOM 829 CA ASN A 64 -1.005 -7.760 -6.220 1.00 0.00 C ATOM 830 C ASN A 64 -1.627 -9.156 -6.085 1.00 0.00 C ATOM 831 O ASN A 64 -1.089 -10.141 -6.599 1.00 0.00 O ATOM 832 CB ASN A 64 0.497 -7.863 -6.524 1.00 0.00 C ATOM 833 CG ASN A 64 0.793 -7.748 -8.011 1.00 0.00 C ATOM 834 OD1 ASN A 64 0.328 -8.560 -8.811 1.00 0.00 O ATOM 835 ND2 ASN A 64 1.570 -6.736 -8.393 1.00 0.00 N ATOM 0 H ASN A 64 -1.729 -6.089 -5.178 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.490 -7.253 -7.054 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.029 -7.077 -5.988 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.876 -8.815 -6.153 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.799 -6.613 -9.379 1.00 0.00 H new ATOM 0 HD22 ASN A 64 1.936 -6.084 -7.699 1.00 0.00 H new ATOM 842 N GLY A 65 -2.768 -9.232 -5.389 1.00 0.00 N ATOM 843 CA GLY A 65 -3.449 -10.505 -5.197 1.00 0.00 C ATOM 844 C GLY A 65 -3.004 -11.253 -3.942 1.00 0.00 C ATOM 845 O GLY A 65 -3.709 -12.148 -3.472 1.00 0.00 O ATOM 0 H GLY A 65 -3.230 -8.432 -4.956 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -4.523 -10.328 -5.143 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -3.273 -11.137 -6.068 1.00 0.00 H new ATOM 849 N VAL A 66 -1.837 -10.892 -3.397 1.00 0.00 N ATOM 850 CA VAL A 66 -1.312 -11.540 -2.194 1.00 0.00 C ATOM 851 C VAL A 66 -1.826 -10.847 -0.932 1.00 0.00 C ATOM 852 O VAL A 66 -1.758 -9.623 -0.816 1.00 0.00 O ATOM 853 CB VAL A 66 0.234 -11.542 -2.182 1.00 0.00 C ATOM 854 CG1 VAL A 66 0.769 -12.390 -1.033 1.00 0.00 C ATOM 855 CG2 VAL A 66 0.779 -12.036 -3.516 1.00 0.00 C ATOM 0 H VAL A 66 -1.240 -10.155 -3.771 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.664 -12.572 -2.207 1.00 0.00 H new ATOM 0 HB VAL A 66 0.574 -10.517 -2.030 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.859 -12.375 -1.047 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.412 -11.986 -0.086 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.419 -13.416 -1.144 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.869 -12.030 -3.488 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.426 -13.051 -3.700 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.433 -11.381 -4.315 1.00 0.00 H new ATOM 865 N ASN A 67 -2.340 -11.639 0.010 1.00 0.00 N ATOM 866 CA ASN A 67 -2.865 -11.102 1.264 1.00 0.00 C ATOM 867 C ASN A 67 -1.735 -10.678 2.198 1.00 0.00 C ATOM 868 O ASN A 67 -0.708 -11.351 2.292 1.00 0.00 O ATOM 869 CB ASN A 67 -3.774 -12.127 1.966 1.00 0.00 C ATOM 870 CG ASN A 67 -3.150 -13.512 2.099 1.00 0.00 C ATOM 871 OD1 ASN A 67 -1.973 -13.716 1.798 1.00 0.00 O ATOM 872 ND2 ASN A 67 -3.945 -14.477 2.550 1.00 0.00 N ATOM 0 H ASN A 67 -2.403 -12.654 -0.072 1.00 0.00 H new ATOM 0 HA ASN A 67 -3.459 -10.221 1.019 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.026 -11.755 2.959 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -4.708 -12.211 1.411 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.586 -15.426 2.657 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.915 -14.269 2.789 1.00 0.00 H new ATOM 879 N LEU A 68 -1.934 -9.557 2.888 1.00 0.00 N ATOM 880 CA LEU A 68 -0.935 -9.039 3.820 1.00 0.00 C ATOM 881 C LEU A 68 -1.451 -9.064 5.266 1.00 0.00 C ATOM 882 O LEU A 68 -0.884 -8.410 6.143 1.00 0.00 O ATOM 883 CB LEU A 68 -0.548 -7.611 3.426 1.00 0.00 C ATOM 884 CG LEU A 68 0.836 -7.154 3.897 1.00 0.00 C ATOM 885 CD1 LEU A 68 1.932 -7.832 3.085 1.00 0.00 C ATOM 886 CD2 LEU A 68 0.950 -5.640 3.797 1.00 0.00 C ATOM 0 H LEU A 68 -2.779 -8.990 2.819 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.057 -9.682 3.767 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.590 -7.527 2.340 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.295 -6.926 3.827 1.00 0.00 H new ATOM 0 HG LEU A 68 0.962 -7.444 4.940 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.907 -7.493 3.436 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.858 -8.913 3.205 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.816 -7.576 2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.938 -5.326 4.134 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.805 -5.332 2.762 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.188 -5.176 4.423 1.00 0.00 H new ATOM 898 N ARG A 69 -2.523 -9.826 5.511 1.00 0.00 N ATOM 899 CA ARG A 69 -3.101 -9.930 6.851 1.00 0.00 C ATOM 900 C ARG A 69 -2.195 -10.729 7.790 1.00 0.00 C ATOM 901 O ARG A 69 -2.118 -10.433 8.982 1.00 0.00 O ATOM 902 CB ARG A 69 -4.489 -10.577 6.786 1.00 0.00 C ATOM 903 CG ARG A 69 -5.558 -9.811 7.553 1.00 0.00 C ATOM 904 CD ARG A 69 -5.890 -8.487 6.882 1.00 0.00 C ATOM 905 NE ARG A 69 -6.395 -7.497 7.834 1.00 0.00 N ATOM 906 CZ ARG A 69 -7.656 -7.459 8.283 1.00 0.00 C ATOM 907 NH1 ARG A 69 -8.546 -8.365 7.880 1.00 0.00 N ATOM 908 NH2 ARG A 69 -8.026 -6.510 9.138 1.00 0.00 N ATOM 0 H ARG A 69 -3.005 -10.377 4.800 1.00 0.00 H new ATOM 0 HA ARG A 69 -3.195 -8.920 7.250 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -4.793 -10.660 5.742 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.426 -11.591 7.182 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -6.460 -10.419 7.626 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.215 -9.627 8.571 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -4.998 -8.096 6.392 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.634 -8.653 6.103 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.745 -6.790 8.178 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.269 -9.095 7.224 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.504 -8.328 8.227 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.350 -5.813 9.450 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.986 -6.479 9.481 1.00 0.00 H new ATOM 922 N ASP A 70 -1.511 -11.738 7.250 1.00 0.00 N ATOM 923 CA ASP A 70 -0.609 -12.571 8.046 1.00 0.00 C ATOM 924 C ASP A 70 0.859 -12.165 7.846 1.00 0.00 C ATOM 925 O ASP A 70 1.769 -12.891 8.252 1.00 0.00 O ATOM 926 CB ASP A 70 -0.796 -14.049 7.685 1.00 0.00 C ATOM 927 CG ASP A 70 -0.633 -14.960 8.886 1.00 0.00 C ATOM 928 OD1 ASP A 70 -1.634 -15.187 9.598 1.00 0.00 O ATOM 929 OD2 ASP A 70 0.493 -15.448 9.113 1.00 0.00 O ATOM 0 H ASP A 70 -1.564 -11.998 6.265 1.00 0.00 H new ATOM 0 HA ASP A 70 -0.860 -12.420 9.096 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.787 -14.193 7.254 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -0.072 -14.328 6.919 1.00 0.00 H new ATOM 934 N THR A 71 1.088 -11.009 7.214 1.00 0.00 N ATOM 935 CA THR A 71 2.445 -10.527 6.960 1.00 0.00 C ATOM 936 C THR A 71 2.825 -9.407 7.931 1.00 0.00 C ATOM 937 O THR A 71 1.958 -8.702 8.451 1.00 0.00 O ATOM 938 CB THR A 71 2.568 -10.031 5.515 1.00 0.00 C ATOM 939 OG1 THR A 71 1.969 -10.947 4.611 1.00 0.00 O ATOM 940 CG2 THR A 71 3.999 -9.819 5.070 1.00 0.00 C ATOM 0 H THR A 71 0.351 -10.393 6.871 1.00 0.00 H new ATOM 0 HA THR A 71 3.132 -11.359 7.114 1.00 0.00 H new ATOM 0 HB THR A 71 2.054 -9.070 5.501 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.523 -11.022 3.806 1.00 0.00 H new ATOM 0 HG21 THR A 71 4.011 -9.468 4.038 1.00 0.00 H new ATOM 0 HG22 THR A 71 4.473 -9.076 5.711 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.545 -10.760 5.140 1.00 0.00 H new ATOM 948 N LYS A 72 4.128 -9.253 8.169 1.00 0.00 N ATOM 949 CA LYS A 72 4.636 -8.225 9.076 1.00 0.00 C ATOM 950 C LYS A 72 4.925 -6.919 8.330 1.00 0.00 C ATOM 951 O LYS A 72 5.073 -6.915 7.107 1.00 0.00 O ATOM 952 CB LYS A 72 5.909 -8.718 9.772 1.00 0.00 C ATOM 953 CG LYS A 72 5.650 -9.707 10.901 1.00 0.00 C ATOM 954 CD LYS A 72 5.318 -11.094 10.372 1.00 0.00 C ATOM 955 CE LYS A 72 5.657 -12.176 11.387 1.00 0.00 C ATOM 956 NZ LYS A 72 7.068 -12.642 11.262 1.00 0.00 N ATOM 0 H LYS A 72 4.853 -9.830 7.744 1.00 0.00 H new ATOM 0 HA LYS A 72 3.867 -8.028 9.823 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.558 -9.187 9.032 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.449 -7.859 10.171 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.529 -9.764 11.543 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.827 -9.347 11.518 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.258 -11.146 10.125 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.870 -11.274 9.449 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.490 -11.793 12.394 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.983 -13.022 11.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.255 -13.378 11.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.222 -13.032 10.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.713 -11.841 11.416 1.00 0.00 H new ATOM 970 N HIS A 73 5.011 -5.815 9.080 1.00 0.00 N ATOM 971 CA HIS A 73 5.290 -4.497 8.497 1.00 0.00 C ATOM 972 C HIS A 73 6.565 -4.529 7.652 1.00 0.00 C ATOM 973 O HIS A 73 6.555 -4.123 6.490 1.00 0.00 O ATOM 974 CB HIS A 73 5.422 -3.441 9.602 1.00 0.00 C ATOM 975 CG HIS A 73 5.419 -2.026 9.104 1.00 0.00 C ATOM 976 ND1 HIS A 73 6.330 -1.078 9.526 1.00 0.00 N ATOM 977 CD2 HIS A 73 4.603 -1.392 8.226 1.00 0.00 C ATOM 978 CE1 HIS A 73 6.073 0.074 8.933 1.00 0.00 C ATOM 979 NE2 HIS A 73 5.031 -0.090 8.140 1.00 0.00 N ATOM 0 H HIS A 73 4.891 -5.808 10.093 1.00 0.00 H new ATOM 0 HA HIS A 73 4.454 -4.233 7.849 1.00 0.00 H new ATOM 0 HB2 HIS A 73 4.602 -3.567 10.309 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.347 -3.619 10.151 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.771 -1.829 7.694 1.00 0.00 H new ATOM 0 HE1 HIS A 73 6.622 0.993 9.073 1.00 0.00 H new ATOM 0 HE2 HIS A 73 4.611 0.634 7.557 1.00 0.00 H new ATOM 988 N LYS A 74 7.655 -5.020 8.245 1.00 0.00 N ATOM 989 CA LYS A 74 8.939 -5.113 7.547 1.00 0.00 C ATOM 990 C LYS A 74 8.836 -6.031 6.329 1.00 0.00 C ATOM 991 O LYS A 74 9.425 -5.755 5.281 1.00 0.00 O ATOM 992 CB LYS A 74 10.035 -5.620 8.493 1.00 0.00 C ATOM 993 CG LYS A 74 9.675 -6.904 9.230 1.00 0.00 C ATOM 994 CD LYS A 74 10.913 -7.611 9.759 1.00 0.00 C ATOM 995 CE LYS A 74 10.548 -8.749 10.701 1.00 0.00 C ATOM 996 NZ LYS A 74 9.696 -9.775 10.034 1.00 0.00 N ATOM 0 H LYS A 74 7.674 -5.359 9.207 1.00 0.00 H new ATOM 0 HA LYS A 74 9.204 -4.113 7.205 1.00 0.00 H new ATOM 0 HB2 LYS A 74 10.947 -5.786 7.919 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.256 -4.843 9.225 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.005 -6.673 10.058 1.00 0.00 H new ATOM 0 HG3 LYS A 74 9.134 -7.570 8.558 1.00 0.00 H new ATOM 0 HD2 LYS A 74 11.495 -8.001 8.924 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.547 -6.894 10.281 1.00 0.00 H new ATOM 0 HE2 LYS A 74 11.459 -9.219 11.071 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.022 -8.348 11.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.583 -10.595 10.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.762 -9.368 9.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.148 -10.079 9.148 1.00 0.00 H new ATOM 1010 N GLU A 75 8.079 -7.118 6.473 1.00 0.00 N ATOM 1011 CA GLU A 75 7.889 -8.073 5.386 1.00 0.00 C ATOM 1012 C GLU A 75 7.135 -7.430 4.224 1.00 0.00 C ATOM 1013 O GLU A 75 7.467 -7.652 3.060 1.00 0.00 O ATOM 1014 CB GLU A 75 7.122 -9.300 5.884 1.00 0.00 C ATOM 1015 CG GLU A 75 7.970 -10.256 6.708 1.00 0.00 C ATOM 1016 CD GLU A 75 7.658 -11.711 6.417 1.00 0.00 C ATOM 1017 OE1 GLU A 75 8.173 -12.237 5.408 1.00 0.00 O ATOM 1018 OE2 GLU A 75 6.900 -12.323 7.198 1.00 0.00 O ATOM 0 H GLU A 75 7.587 -7.358 7.334 1.00 0.00 H new ATOM 0 HA GLU A 75 8.873 -8.384 5.034 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.275 -8.969 6.485 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.715 -9.836 5.027 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.024 -10.067 6.506 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.808 -10.058 7.768 1.00 0.00 H new ATOM 1025 N ALA A 76 6.121 -6.630 4.551 1.00 0.00 N ATOM 1026 CA ALA A 76 5.318 -5.956 3.536 1.00 0.00 C ATOM 1027 C ALA A 76 6.156 -4.973 2.722 1.00 0.00 C ATOM 1028 O ALA A 76 5.926 -4.804 1.525 1.00 0.00 O ATOM 1029 CB ALA A 76 4.144 -5.234 4.182 1.00 0.00 C ATOM 0 H ALA A 76 5.837 -6.434 5.511 1.00 0.00 H new ATOM 0 HA ALA A 76 4.938 -6.717 2.855 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.555 -4.736 3.412 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.518 -5.955 4.708 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.517 -4.493 4.889 1.00 0.00 H new ATOM 1035 N VAL A 77 7.135 -4.336 3.370 1.00 0.00 N ATOM 1036 CA VAL A 77 8.006 -3.378 2.688 1.00 0.00 C ATOM 1037 C VAL A 77 8.790 -4.062 1.571 1.00 0.00 C ATOM 1038 O VAL A 77 8.907 -3.529 0.467 1.00 0.00 O ATOM 1039 CB VAL A 77 8.999 -2.705 3.663 1.00 0.00 C ATOM 1040 CG1 VAL A 77 9.759 -1.582 2.969 1.00 0.00 C ATOM 1041 CG2 VAL A 77 8.271 -2.184 4.894 1.00 0.00 C ATOM 0 H VAL A 77 7.343 -4.466 4.360 1.00 0.00 H new ATOM 0 HA VAL A 77 7.359 -2.608 2.267 1.00 0.00 H new ATOM 0 HB VAL A 77 9.722 -3.454 3.986 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.452 -1.122 3.673 1.00 0.00 H new ATOM 0 HG12 VAL A 77 10.316 -1.987 2.124 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.054 -0.832 2.612 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.987 -1.714 5.568 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.523 -1.452 4.591 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.782 -3.013 5.405 1.00 0.00 H new ATOM 1051 N THR A 78 9.318 -5.248 1.864 1.00 0.00 N ATOM 1052 CA THR A 78 10.082 -6.009 0.884 1.00 0.00 C ATOM 1053 C THR A 78 9.175 -6.537 -0.228 1.00 0.00 C ATOM 1054 O THR A 78 9.518 -6.446 -1.407 1.00 0.00 O ATOM 1055 CB THR A 78 10.818 -7.170 1.562 1.00 0.00 C ATOM 1056 OG1 THR A 78 11.551 -6.711 2.686 1.00 0.00 O ATOM 1057 CG2 THR A 78 11.787 -7.885 0.642 1.00 0.00 C ATOM 0 H THR A 78 9.230 -5.701 2.773 1.00 0.00 H new ATOM 0 HA THR A 78 10.817 -5.340 0.437 1.00 0.00 H new ATOM 0 HB THR A 78 10.039 -7.872 1.858 1.00 0.00 H new ATOM 0 HG1 THR A 78 12.012 -7.467 3.106 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.274 -8.695 1.185 1.00 0.00 H new ATOM 0 HG22 THR A 78 11.245 -8.294 -0.211 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.540 -7.181 0.289 1.00 0.00 H new ATOM 1065 N ILE A 79 8.018 -7.088 0.153 1.00 0.00 N ATOM 1066 CA ILE A 79 7.069 -7.630 -0.822 1.00 0.00 C ATOM 1067 C ILE A 79 6.541 -6.540 -1.755 1.00 0.00 C ATOM 1068 O ILE A 79 6.526 -6.719 -2.974 1.00 0.00 O ATOM 1069 CB ILE A 79 5.871 -8.340 -0.143 1.00 0.00 C ATOM 1070 CG1 ILE A 79 6.361 -9.415 0.834 1.00 0.00 C ATOM 1071 CG2 ILE A 79 4.957 -8.959 -1.195 1.00 0.00 C ATOM 1072 CD1 ILE A 79 5.426 -9.645 2.002 1.00 0.00 C ATOM 0 H ILE A 79 7.718 -7.170 1.124 1.00 0.00 H new ATOM 0 HA ILE A 79 7.624 -8.366 -1.404 1.00 0.00 H new ATOM 0 HB ILE A 79 5.306 -7.597 0.419 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.491 -10.353 0.294 1.00 0.00 H new ATOM 0 HG13 ILE A 79 7.341 -9.128 1.215 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.120 -9.454 -0.703 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.580 -8.177 -1.855 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.517 -9.688 -1.780 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.837 -10.418 2.651 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.315 -8.719 2.567 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.452 -9.963 1.631 1.00 0.00 H new ATOM 1084 N LEU A 80 6.112 -5.409 -1.185 1.00 0.00 N ATOM 1085 CA LEU A 80 5.592 -4.301 -1.990 1.00 0.00 C ATOM 1086 C LEU A 80 6.674 -3.733 -2.908 1.00 0.00 C ATOM 1087 O LEU A 80 6.381 -3.292 -4.020 1.00 0.00 O ATOM 1088 CB LEU A 80 5.003 -3.192 -1.104 1.00 0.00 C ATOM 1089 CG LEU A 80 5.998 -2.445 -0.207 1.00 0.00 C ATOM 1090 CD1 LEU A 80 6.713 -1.343 -0.978 1.00 0.00 C ATOM 1091 CD2 LEU A 80 5.279 -1.864 1.001 1.00 0.00 C ATOM 0 H LEU A 80 6.114 -5.238 -0.179 1.00 0.00 H new ATOM 0 HA LEU A 80 4.789 -4.699 -2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.509 -2.465 -1.748 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.233 -3.632 -0.470 1.00 0.00 H new ATOM 0 HG LEU A 80 6.749 -3.157 0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.412 -0.831 -0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.259 -1.779 -1.815 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.981 -0.629 -1.355 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.995 -1.336 1.631 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.508 -1.170 0.666 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.818 -2.670 1.572 1.00 0.00 H new ATOM 1103 N SER A 81 7.925 -3.747 -2.440 1.00 0.00 N ATOM 1104 CA SER A 81 9.042 -3.234 -3.231 1.00 0.00 C ATOM 1105 C SER A 81 9.288 -4.103 -4.469 1.00 0.00 C ATOM 1106 O SER A 81 9.732 -3.604 -5.503 1.00 0.00 O ATOM 1107 CB SER A 81 10.318 -3.159 -2.387 1.00 0.00 C ATOM 1108 OG SER A 81 11.335 -2.437 -3.065 1.00 0.00 O ATOM 0 H SER A 81 8.187 -4.106 -1.522 1.00 0.00 H new ATOM 0 HA SER A 81 8.777 -2.229 -3.560 1.00 0.00 H new ATOM 0 HB2 SER A 81 10.100 -2.678 -1.433 1.00 0.00 H new ATOM 0 HB3 SER A 81 10.670 -4.166 -2.163 1.00 0.00 H new ATOM 0 HG SER A 81 12.139 -2.401 -2.506 1.00 0.00 H new ATOM 1114 N GLN A 82 8.994 -5.402 -4.357 1.00 0.00 N ATOM 1115 CA GLN A 82 9.179 -6.334 -5.472 1.00 0.00 C ATOM 1116 C GLN A 82 8.239 -5.999 -6.634 1.00 0.00 C ATOM 1117 O GLN A 82 8.564 -6.258 -7.794 1.00 0.00 O ATOM 1118 CB GLN A 82 8.942 -7.779 -5.018 1.00 0.00 C ATOM 1119 CG GLN A 82 9.687 -8.155 -3.744 1.00 0.00 C ATOM 1120 CD GLN A 82 10.307 -9.540 -3.799 1.00 0.00 C ATOM 1121 OE1 GLN A 82 10.487 -10.115 -4.873 1.00 0.00 O ATOM 1122 NE2 GLN A 82 10.642 -10.087 -2.634 1.00 0.00 N ATOM 0 H GLN A 82 8.628 -5.831 -3.507 1.00 0.00 H new ATOM 0 HA GLN A 82 10.208 -6.233 -5.816 1.00 0.00 H new ATOM 0 HB2 GLN A 82 7.874 -7.930 -4.861 1.00 0.00 H new ATOM 0 HB3 GLN A 82 9.245 -8.455 -5.817 1.00 0.00 H new ATOM 0 HG2 GLN A 82 10.471 -7.420 -3.559 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.999 -8.106 -2.900 1.00 0.00 H new ATOM 0 HE21 GLN A 82 10.477 -9.578 -1.765 1.00 0.00 H new ATOM 0 HE22 GLN A 82 11.064 -11.015 -2.609 1.00 0.00 H new ATOM 1131 N GLN A 83 7.077 -5.421 -6.316 1.00 0.00 N ATOM 1132 CA GLN A 83 6.096 -5.050 -7.336 1.00 0.00 C ATOM 1133 C GLN A 83 6.689 -4.033 -8.309 1.00 0.00 C ATOM 1134 O GLN A 83 7.017 -2.909 -7.923 1.00 0.00 O ATOM 1135 CB GLN A 83 4.829 -4.475 -6.691 1.00 0.00 C ATOM 1136 CG GLN A 83 4.299 -5.286 -5.513 1.00 0.00 C ATOM 1137 CD GLN A 83 4.232 -6.779 -5.793 1.00 0.00 C ATOM 1138 OE1 GLN A 83 4.006 -7.202 -6.927 1.00 0.00 O ATOM 1139 NE2 GLN A 83 4.423 -7.588 -4.756 1.00 0.00 N ATOM 0 H GLN A 83 6.794 -5.201 -5.361 1.00 0.00 H new ATOM 0 HA GLN A 83 5.829 -5.952 -7.887 1.00 0.00 H new ATOM 0 HB2 GLN A 83 5.036 -3.460 -6.354 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.049 -4.406 -7.449 1.00 0.00 H new ATOM 0 HG2 GLN A 83 4.937 -5.114 -4.646 1.00 0.00 H new ATOM 0 HG3 GLN A 83 3.303 -4.927 -5.252 1.00 0.00 H new ATOM 0 HE21 GLN A 83 4.608 -7.198 -3.832 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.385 -8.599 -4.884 1.00 0.00 H new ATOM 1148 N ARG A 84 6.829 -4.439 -9.571 1.00 0.00 N ATOM 1149 CA ARG A 84 7.389 -3.568 -10.602 1.00 0.00 C ATOM 1150 C ARG A 84 6.345 -3.242 -11.668 1.00 0.00 C ATOM 1151 O ARG A 84 5.520 -4.089 -12.019 1.00 0.00 O ATOM 1152 CB ARG A 84 8.603 -4.238 -11.250 1.00 0.00 C ATOM 1153 CG ARG A 84 9.935 -3.811 -10.650 1.00 0.00 C ATOM 1154 CD ARG A 84 10.983 -4.909 -10.778 1.00 0.00 C ATOM 1155 NE ARG A 84 12.031 -4.791 -9.763 1.00 0.00 N ATOM 1156 CZ ARG A 84 12.894 -5.767 -9.460 1.00 0.00 C ATOM 1157 NH1 ARG A 84 12.849 -6.932 -10.101 1.00 0.00 N ATOM 1158 NH2 ARG A 84 13.808 -5.571 -8.517 1.00 0.00 N ATOM 0 H ARG A 84 6.562 -5.366 -9.903 1.00 0.00 H new ATOM 0 HA ARG A 84 7.700 -2.636 -10.130 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.503 -5.319 -11.155 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.606 -4.010 -12.316 1.00 0.00 H new ATOM 0 HG2 ARG A 84 10.288 -2.909 -11.150 1.00 0.00 H new ATOM 0 HG3 ARG A 84 9.797 -3.559 -9.599 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.500 -5.882 -10.689 1.00 0.00 H new ATOM 0 HD3 ARG A 84 11.433 -4.866 -11.770 1.00 0.00 H new ATOM 0 HE ARG A 84 12.108 -3.910 -9.255 1.00 0.00 H new ATOM 0 HH11 ARG A 84 12.152 -7.086 -10.830 1.00 0.00 H new ATOM 0 HH12 ARG A 84 13.511 -7.671 -9.863 1.00 0.00 H new ATOM 0 HH21 ARG A 84 13.851 -4.678 -8.026 1.00 0.00 H new ATOM 0 HH22 ARG A 84 14.467 -6.313 -8.284 1.00 0.00 H new ATOM 1172 N GLY A 85 6.391 -2.011 -12.181 1.00 0.00 N ATOM 1173 CA GLY A 85 5.447 -1.590 -13.205 1.00 0.00 C ATOM 1174 C GLY A 85 4.008 -1.639 -12.726 1.00 0.00 C ATOM 1175 O GLY A 85 3.554 -0.741 -12.011 1.00 0.00 O ATOM 0 H GLY A 85 7.066 -1.298 -11.905 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.687 -0.575 -13.520 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.557 -2.230 -14.081 1.00 0.00 H new ATOM 1179 N GLU A 86 3.292 -2.695 -13.116 1.00 0.00 N ATOM 1180 CA GLU A 86 1.899 -2.870 -12.721 1.00 0.00 C ATOM 1181 C GLU A 86 1.809 -3.364 -11.280 1.00 0.00 C ATOM 1182 O GLU A 86 2.321 -4.435 -10.948 1.00 0.00 O ATOM 1183 CB GLU A 86 1.195 -3.859 -13.658 1.00 0.00 C ATOM 1184 CG GLU A 86 -0.305 -3.967 -13.421 1.00 0.00 C ATOM 1185 CD GLU A 86 -0.799 -5.401 -13.446 1.00 0.00 C ATOM 1186 OE1 GLU A 86 -0.552 -6.132 -12.463 1.00 0.00 O ATOM 1187 OE2 GLU A 86 -1.432 -5.793 -14.449 1.00 0.00 O ATOM 0 H GLU A 86 3.658 -3.442 -13.706 1.00 0.00 H new ATOM 0 HA GLU A 86 1.401 -1.903 -12.792 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.370 -3.555 -14.690 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.645 -4.844 -13.536 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.550 -3.519 -12.458 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.832 -3.392 -14.183 1.00 0.00 H new ATOM 1194 N ILE A 87 1.159 -2.575 -10.427 1.00 0.00 N ATOM 1195 CA ILE A 87 1.007 -2.931 -9.021 1.00 0.00 C ATOM 1196 C ILE A 87 -0.450 -2.812 -8.578 1.00 0.00 C ATOM 1197 O ILE A 87 -1.055 -1.742 -8.678 1.00 0.00 O ATOM 1198 CB ILE A 87 1.881 -2.035 -8.116 1.00 0.00 C ATOM 1199 CG1 ILE A 87 3.310 -1.947 -8.666 1.00 0.00 C ATOM 1200 CG2 ILE A 87 1.886 -2.563 -6.686 1.00 0.00 C ATOM 1201 CD1 ILE A 87 4.227 -1.077 -7.833 1.00 0.00 C ATOM 0 H ILE A 87 0.730 -1.686 -10.686 1.00 0.00 H new ATOM 0 HA ILE A 87 1.333 -3.966 -8.920 1.00 0.00 H new ATOM 0 HB ILE A 87 1.455 -1.032 -8.109 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.730 -2.951 -8.725 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.276 -1.555 -9.683 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.507 -1.919 -6.063 1.00 0.00 H new ATOM 0 HG22 ILE A 87 0.868 -2.571 -6.298 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.287 -3.576 -6.674 1.00 0.00 H new ATOM 0 HD11 ILE A 87 5.220 -1.061 -8.282 1.00 0.00 H new ATOM 0 HD12 ILE A 87 3.830 -0.063 -7.794 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.292 -1.480 -6.822 1.00 0.00 H new ATOM 1213 N GLU A 88 -1.002 -3.916 -8.077 1.00 0.00 N ATOM 1214 CA GLU A 88 -2.382 -3.940 -7.604 1.00 0.00 C ATOM 1215 C GLU A 88 -2.432 -3.688 -6.100 1.00 0.00 C ATOM 1216 O GLU A 88 -1.748 -4.363 -5.330 1.00 0.00 O ATOM 1217 CB GLU A 88 -3.036 -5.286 -7.931 1.00 0.00 C ATOM 1218 CG GLU A 88 -4.444 -5.158 -8.492 1.00 0.00 C ATOM 1219 CD GLU A 88 -5.087 -6.502 -8.783 1.00 0.00 C ATOM 1220 OE1 GLU A 88 -4.461 -7.325 -9.484 1.00 0.00 O ATOM 1221 OE2 GLU A 88 -6.221 -6.730 -8.309 1.00 0.00 O ATOM 0 H GLU A 88 -0.512 -4.806 -7.989 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.934 -3.149 -8.112 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.414 -5.817 -8.651 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.068 -5.894 -7.027 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.064 -4.610 -7.783 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.413 -4.570 -9.409 1.00 0.00 H new ATOM 1228 N PHE A 89 -3.235 -2.711 -5.684 1.00 0.00 N ATOM 1229 CA PHE A 89 -3.355 -2.382 -4.269 1.00 0.00 C ATOM 1230 C PHE A 89 -4.807 -2.442 -3.805 1.00 0.00 C ATOM 1231 O PHE A 89 -5.694 -1.842 -4.419 1.00 0.00 O ATOM 1232 CB PHE A 89 -2.776 -0.990 -4.006 1.00 0.00 C ATOM 1233 CG PHE A 89 -1.408 -1.019 -3.387 1.00 0.00 C ATOM 1234 CD1 PHE A 89 -1.245 -1.347 -2.051 1.00 0.00 C ATOM 1235 CD2 PHE A 89 -0.284 -0.720 -4.142 1.00 0.00 C ATOM 1236 CE1 PHE A 89 0.011 -1.375 -1.478 1.00 0.00 C ATOM 1237 CE2 PHE A 89 0.975 -0.746 -3.574 1.00 0.00 C ATOM 1238 CZ PHE A 89 1.123 -1.075 -2.241 1.00 0.00 C ATOM 0 H PHE A 89 -3.808 -2.138 -6.303 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.791 -3.122 -3.701 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.729 -0.441 -4.946 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.452 -0.442 -3.350 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.111 -1.584 -1.450 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.394 -0.464 -5.185 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.124 -1.631 -0.435 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.843 -0.509 -4.172 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.107 -1.098 -1.796 1.00 0.00 H new ATOM 1248 N GLU A 90 -5.038 -3.162 -2.709 1.00 0.00 N ATOM 1249 CA GLU A 90 -6.375 -3.302 -2.143 1.00 0.00 C ATOM 1250 C GLU A 90 -6.404 -2.759 -0.717 1.00 0.00 C ATOM 1251 O GLU A 90 -5.729 -3.288 0.171 1.00 0.00 O ATOM 1252 CB GLU A 90 -6.808 -4.769 -2.156 1.00 0.00 C ATOM 1253 CG GLU A 90 -8.272 -4.964 -2.520 1.00 0.00 C ATOM 1254 CD GLU A 90 -8.732 -6.405 -2.388 1.00 0.00 C ATOM 1255 OE1 GLU A 90 -7.920 -7.319 -2.646 1.00 0.00 O ATOM 1256 OE2 GLU A 90 -9.909 -6.618 -2.030 1.00 0.00 O ATOM 0 H GLU A 90 -4.311 -3.659 -2.194 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.072 -2.727 -2.753 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.189 -5.317 -2.866 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.625 -5.203 -1.173 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.887 -4.332 -1.879 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.433 -4.630 -3.545 1.00 0.00 H new ATOM 1263 N VAL A 91 -7.178 -1.693 -0.507 1.00 0.00 N ATOM 1264 CA VAL A 91 -7.283 -1.069 0.811 1.00 0.00 C ATOM 1265 C VAL A 91 -8.725 -0.678 1.144 1.00 0.00 C ATOM 1266 O VAL A 91 -9.607 -0.707 0.281 1.00 0.00 O ATOM 1267 CB VAL A 91 -6.386 0.186 0.910 1.00 0.00 C ATOM 1268 CG1 VAL A 91 -4.913 -0.200 0.896 1.00 0.00 C ATOM 1269 CG2 VAL A 91 -6.697 1.158 -0.218 1.00 0.00 C ATOM 0 H VAL A 91 -7.740 -1.245 -1.231 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.946 -1.814 1.532 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.598 0.682 1.857 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.301 0.699 0.967 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.700 -0.852 1.743 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.683 -0.724 -0.032 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.055 2.035 -0.130 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.518 0.672 -1.177 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.741 1.465 -0.156 1.00 0.00 H new ATOM 1279 N VAL A 92 -8.954 -0.313 2.408 1.00 0.00 N ATOM 1280 CA VAL A 92 -10.281 0.087 2.879 1.00 0.00 C ATOM 1281 C VAL A 92 -10.212 1.423 3.626 1.00 0.00 C ATOM 1282 O VAL A 92 -9.288 1.654 4.408 1.00 0.00 O ATOM 1283 CB VAL A 92 -10.886 -0.989 3.816 1.00 0.00 C ATOM 1284 CG1 VAL A 92 -12.323 -0.655 4.195 1.00 0.00 C ATOM 1285 CG2 VAL A 92 -10.817 -2.364 3.171 1.00 0.00 C ATOM 0 H VAL A 92 -8.232 -0.287 3.128 1.00 0.00 H new ATOM 0 HA VAL A 92 -10.920 0.196 2.002 1.00 0.00 H new ATOM 0 HB VAL A 92 -10.291 -1.000 4.730 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -12.716 -1.431 4.852 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -12.350 0.305 4.710 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -12.934 -0.600 3.294 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -11.247 -3.104 3.846 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -11.378 -2.356 2.236 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.777 -2.619 2.968 1.00 0.00 H new ATOM 1295 N TYR A 93 -11.194 2.296 3.380 1.00 0.00 N ATOM 1296 CA TYR A 93 -11.243 3.609 4.032 1.00 0.00 C ATOM 1297 C TYR A 93 -11.452 3.461 5.541 1.00 0.00 C ATOM 1298 O TYR A 93 -12.412 2.823 5.984 1.00 0.00 O ATOM 1299 CB TYR A 93 -12.363 4.471 3.427 1.00 0.00 C ATOM 1300 CG TYR A 93 -12.020 5.949 3.333 1.00 0.00 C ATOM 1301 CD1 TYR A 93 -11.478 6.631 4.418 1.00 0.00 C ATOM 1302 CD2 TYR A 93 -12.244 6.664 2.159 1.00 0.00 C ATOM 1303 CE1 TYR A 93 -11.169 7.976 4.338 1.00 0.00 C ATOM 1304 CE2 TYR A 93 -11.936 8.010 2.072 1.00 0.00 C ATOM 1305 CZ TYR A 93 -11.398 8.661 3.164 1.00 0.00 C ATOM 1306 OH TYR A 93 -11.087 10.002 3.082 1.00 0.00 O ATOM 0 H TYR A 93 -11.964 2.118 2.736 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.287 4.105 3.862 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.597 4.098 2.430 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.264 4.355 4.030 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.295 6.099 5.340 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -12.665 6.159 1.302 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -10.750 8.488 5.192 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -12.116 8.549 1.154 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.308 10.335 2.187 1.00 0.00 H new ATOM 1316 N VAL A 94 -10.540 4.044 6.324 1.00 0.00 N ATOM 1317 CA VAL A 94 -10.610 3.972 7.782 1.00 0.00 C ATOM 1318 C VAL A 94 -10.557 5.362 8.407 1.00 0.00 C ATOM 1319 O VAL A 94 -9.686 6.170 8.076 1.00 0.00 O ATOM 1320 CB VAL A 94 -9.458 3.119 8.356 1.00 0.00 C ATOM 1321 CG1 VAL A 94 -9.642 2.884 9.852 1.00 0.00 C ATOM 1322 CG2 VAL A 94 -9.339 1.798 7.606 1.00 0.00 C ATOM 0 H VAL A 94 -9.743 4.572 5.969 1.00 0.00 H new ATOM 0 HA VAL A 94 -11.562 3.503 8.030 1.00 0.00 H new ATOM 0 HB VAL A 94 -8.528 3.671 8.218 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -8.817 2.281 10.230 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -9.659 3.842 10.371 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -10.583 2.361 10.025 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.521 1.213 8.027 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -10.271 1.240 7.701 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.140 1.994 6.552 1.00 0.00 H new ATOM 1332 N ALA A 95 -11.496 5.623 9.320 1.00 0.00 N ATOM 1333 CA ALA A 95 -11.578 6.906 10.013 1.00 0.00 C ATOM 1334 C ALA A 95 -12.053 8.021 9.079 1.00 0.00 C ATOM 1335 O ALA A 95 -12.239 7.753 7.871 1.00 0.00 O ATOM 1336 CB ALA A 95 -10.231 7.261 10.636 1.00 0.00 C ATOM 0 H ALA A 95 -12.215 4.954 9.596 1.00 0.00 H new ATOM 0 HA ALA A 95 -12.317 6.809 10.808 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -10.309 8.220 11.149 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -9.946 6.489 11.351 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -9.475 7.328 9.854 1.00 0.00 H new