USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 832 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 69 SER OG : rot 180:sc= 1.05 USER MOD Set 1.2: A 85 TYR OH : rot 79:sc= 1.12 USER MOD Set 2.1: A 65 MET CE :methyl 167:sc= -1.81 (180deg=-2.3) USER MOD Set 2.2: A 67 ASN :FLIP amide:sc=-0.00047 F(o=-5.7,f=-1.8) USER MOD Set 3.1: A 38 TYR OH : rot 94:sc= 1.25 USER MOD Set 3.2: A 39 HIS : no HD1:sc= 0.982 K(o=2.2,f=-5.4!) USER MOD Set 4.1: A 34 THR OG1 : rot 180:sc= 0.0185 USER MOD Set 4.2: A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -163:sc= -0.109 (180deg=-0.542) USER MOD Single : A 1 MET N :NH3+ 168:sc= 0.848 (180deg=0.688) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN :FLIP amide:sc=-0.00528 F(o=-0.94,f=-0.0053) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -122:sc= -0.85 (180deg=-2.95!) USER MOD Single : A 17 TYR OH : rot 180:sc= -0.817 USER MOD Single : A 18 GLN :FLIP amide:sc= -0.0679 F(o=-1.8!,f=-0.068) USER MOD Single : A 21 SER OG : rot -26:sc= 0.159 USER MOD Single : A 24 LYS NZ :NH3+ -178:sc= 2.31 (180deg=2.26) USER MOD Single : A 26 LYS NZ :NH3+ -178:sc= 1.05 (180deg=0.937) USER MOD Single : A 30 THR OG1 : rot 147:sc= -0.88 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 35 SER OG : rot -112:sc= 1.2 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -154:sc= 1.24 (180deg=0.925) USER MOD Single : A 49 THR OG1 : rot 18:sc= 0.276 USER MOD Single : A 51 ASN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 66 THR OG1 : rot -126:sc= -2.44! USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -0.117 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0376 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN :FLIP amide:sc= -0.186 F(o=-1.2,f=-0.19) USER MOD Single : A 97 SER OG : rot -45:sc= 0.448 USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS :FLIP no HD1:sc= -0.0601 F(o=-0.94,f=-0.06) USER MOD Single : A 102 HIS : no HD1:sc= 0.686 K(o=0.69,f=-4.2!) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.048) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.192 3.294 5.407 1.00 0.00 N ATOM 2 CA MET A 1 9.377 4.053 4.946 1.00 0.00 C ATOM 3 C MET A 1 9.545 3.915 3.439 1.00 0.00 C ATOM 4 O MET A 1 10.388 3.153 2.961 1.00 0.00 O ATOM 5 CB MET A 1 10.646 3.579 5.662 1.00 0.00 C ATOM 6 CG MET A 1 10.639 3.851 7.156 1.00 0.00 C ATOM 7 SD MET A 1 10.451 5.604 7.539 1.00 0.00 S ATOM 8 CE MET A 1 11.917 6.284 6.759 1.00 0.00 C ATOM 0 H1 MET A 1 8.204 3.228 6.445 1.00 0.00 H new ATOM 0 H2 MET A 1 7.326 3.783 5.102 1.00 0.00 H new ATOM 0 H3 MET A 1 8.212 2.338 4.999 1.00 0.00 H new ATOM 0 HA MET A 1 9.218 5.104 5.189 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.768 2.509 5.497 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.510 4.071 5.216 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.826 3.292 7.620 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.568 3.485 7.593 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.108 7.283 7.151 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.772 5.642 6.970 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.763 6.341 5.681 1.00 0.00 H new ATOM 20 N VAL A 2 8.713 4.633 2.696 1.00 0.00 N ATOM 21 CA VAL A 2 8.757 4.613 1.244 1.00 0.00 C ATOM 22 C VAL A 2 7.814 5.682 0.702 1.00 0.00 C ATOM 23 O VAL A 2 6.915 6.128 1.419 1.00 0.00 O ATOM 24 CB VAL A 2 8.369 3.213 0.696 1.00 0.00 C ATOM 25 CG1 VAL A 2 6.941 3.167 0.167 1.00 0.00 C ATOM 26 CG2 VAL A 2 9.355 2.766 -0.369 1.00 0.00 C ATOM 0 H VAL A 2 7.992 5.242 3.083 1.00 0.00 H new ATOM 0 HA VAL A 2 9.774 4.825 0.914 1.00 0.00 H new ATOM 0 HB VAL A 2 8.415 2.518 1.534 1.00 0.00 H new ATOM 0 HG11 VAL A 2 6.722 2.166 -0.204 1.00 0.00 H new ATOM 0 HG12 VAL A 2 6.247 3.416 0.970 1.00 0.00 H new ATOM 0 HG13 VAL A 2 6.830 3.886 -0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 2 9.067 1.783 -0.742 1.00 0.00 H new ATOM 0 HG22 VAL A 2 9.351 3.481 -1.192 1.00 0.00 H new ATOM 0 HG23 VAL A 2 10.355 2.713 0.061 1.00 0.00 H new ATOM 36 N LYS A 3 8.023 6.110 -0.535 1.00 0.00 N ATOM 37 CA LYS A 3 7.111 7.062 -1.149 1.00 0.00 C ATOM 38 C LYS A 3 6.769 6.645 -2.573 1.00 0.00 C ATOM 39 O LYS A 3 5.624 6.782 -3.005 1.00 0.00 O ATOM 40 CB LYS A 3 7.683 8.479 -1.129 1.00 0.00 C ATOM 41 CG LYS A 3 6.660 9.533 -1.523 1.00 0.00 C ATOM 42 CD LYS A 3 7.153 10.939 -1.236 1.00 0.00 C ATOM 43 CE LYS A 3 6.060 11.965 -1.486 1.00 0.00 C ATOM 44 NZ LYS A 3 6.484 13.330 -1.092 1.00 0.00 N ATOM 0 H LYS A 3 8.803 5.819 -1.124 1.00 0.00 H new ATOM 0 HA LYS A 3 6.194 7.063 -0.559 1.00 0.00 H new ATOM 0 HB2 LYS A 3 8.059 8.700 -0.130 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.533 8.532 -1.809 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.432 9.438 -2.585 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.731 9.357 -0.981 1.00 0.00 H new ATOM 0 HD2 LYS A 3 7.488 11.006 -0.201 1.00 0.00 H new ATOM 0 HD3 LYS A 3 8.015 11.161 -1.865 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.791 11.959 -2.542 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.166 11.687 -0.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.711 14.001 -1.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 6.717 13.342 -0.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.322 13.606 -1.643 1.00 0.00 H new ATOM 58 N THR A 4 7.745 6.123 -3.301 1.00 0.00 N ATOM 59 CA THR A 4 7.489 5.656 -4.648 1.00 0.00 C ATOM 60 C THR A 4 6.955 4.230 -4.616 1.00 0.00 C ATOM 61 O THR A 4 7.696 3.264 -4.790 1.00 0.00 O ATOM 62 CB THR A 4 8.749 5.726 -5.535 1.00 0.00 C ATOM 63 OG1 THR A 4 9.352 7.025 -5.419 1.00 0.00 O ATOM 64 CG2 THR A 4 8.404 5.462 -6.995 1.00 0.00 C ATOM 0 H THR A 4 8.708 6.014 -2.984 1.00 0.00 H new ATOM 0 HA THR A 4 6.741 6.317 -5.085 1.00 0.00 H new ATOM 0 HB THR A 4 9.446 4.960 -5.197 1.00 0.00 H new ATOM 0 HG1 THR A 4 10.153 7.065 -5.982 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.310 5.517 -7.599 1.00 0.00 H new ATOM 0 HG22 THR A 4 7.964 4.469 -7.091 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.691 6.210 -7.341 1.00 0.00 H new ATOM 72 N LEU A 5 5.668 4.106 -4.343 1.00 0.00 N ATOM 73 CA LEU A 5 5.013 2.811 -4.350 1.00 0.00 C ATOM 74 C LEU A 5 3.982 2.770 -5.462 1.00 0.00 C ATOM 75 O LEU A 5 3.209 3.711 -5.636 1.00 0.00 O ATOM 76 CB LEU A 5 4.346 2.528 -3.000 1.00 0.00 C ATOM 77 CG LEU A 5 3.712 1.140 -2.868 1.00 0.00 C ATOM 78 CD1 LEU A 5 4.769 0.051 -2.961 1.00 0.00 C ATOM 79 CD2 LEU A 5 2.948 1.022 -1.562 1.00 0.00 C ATOM 0 H LEU A 5 5.055 4.888 -4.113 1.00 0.00 H new ATOM 0 HA LEU A 5 5.764 2.040 -4.523 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.090 2.647 -2.212 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.576 3.280 -2.828 1.00 0.00 H new ATOM 0 HG LEU A 5 3.011 1.010 -3.693 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.295 -0.926 -2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.274 0.116 -3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 5 5.497 0.181 -2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.505 0.029 -1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.630 1.179 -0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.159 1.774 -1.533 1.00 0.00 H new ATOM 91 N ARG A 6 3.983 1.695 -6.228 1.00 0.00 N ATOM 92 CA ARG A 6 3.081 1.569 -7.356 1.00 0.00 C ATOM 93 C ARG A 6 2.294 0.273 -7.252 1.00 0.00 C ATOM 94 O ARG A 6 2.832 -0.758 -6.851 1.00 0.00 O ATOM 95 CB ARG A 6 3.876 1.602 -8.665 1.00 0.00 C ATOM 96 CG ARG A 6 4.858 2.763 -8.739 1.00 0.00 C ATOM 97 CD ARG A 6 5.704 2.716 -9.998 1.00 0.00 C ATOM 98 NE ARG A 6 4.959 3.129 -11.181 1.00 0.00 N ATOM 99 CZ ARG A 6 5.490 3.820 -12.188 1.00 0.00 C ATOM 100 NH1 ARG A 6 6.773 4.152 -12.168 1.00 0.00 N ATOM 101 NH2 ARG A 6 4.733 4.169 -13.219 1.00 0.00 N ATOM 0 H ARG A 6 4.600 0.895 -6.089 1.00 0.00 H new ATOM 0 HA ARG A 6 2.381 2.405 -7.347 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.422 0.665 -8.775 1.00 0.00 H new ATOM 0 HB3 ARG A 6 3.182 1.667 -9.503 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.309 3.704 -8.707 1.00 0.00 H new ATOM 0 HG3 ARG A 6 5.509 2.743 -7.865 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.572 3.363 -9.874 1.00 0.00 H new ATOM 0 HD3 ARG A 6 6.080 1.703 -10.143 1.00 0.00 H new ATOM 0 HE ARG A 6 3.973 2.874 -11.241 1.00 0.00 H new ATOM 0 HH11 ARG A 6 7.358 3.878 -11.379 1.00 0.00 H new ATOM 0 HH12 ARG A 6 7.175 4.681 -12.942 1.00 0.00 H new ATOM 0 HH21 ARG A 6 3.747 3.908 -13.239 1.00 0.00 H new ATOM 0 HH22 ARG A 6 5.137 4.698 -13.992 1.00 0.00 H new ATOM 115 N LEU A 7 1.021 0.331 -7.591 1.00 0.00 N ATOM 116 CA LEU A 7 0.184 -0.855 -7.589 1.00 0.00 C ATOM 117 C LEU A 7 -0.077 -1.282 -9.022 1.00 0.00 C ATOM 118 O LEU A 7 -1.126 -0.983 -9.589 1.00 0.00 O ATOM 119 CB LEU A 7 -1.132 -0.593 -6.850 1.00 0.00 C ATOM 120 CG LEU A 7 -0.976 -0.170 -5.386 1.00 0.00 C ATOM 121 CD1 LEU A 7 -2.334 0.129 -4.767 1.00 0.00 C ATOM 122 CD2 LEU A 7 -0.250 -1.249 -4.590 1.00 0.00 C ATOM 0 H LEU A 7 0.542 1.187 -7.872 1.00 0.00 H new ATOM 0 HA LEU A 7 0.700 -1.658 -7.063 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.682 0.184 -7.381 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.740 -1.497 -6.889 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.377 0.740 -5.355 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.202 0.428 -3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.815 0.937 -5.318 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.959 -0.763 -4.812 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.149 -0.930 -3.553 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.821 -2.177 -4.630 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.739 -1.413 -5.017 1.00 0.00 H new ATOM 134 N ASN A 8 0.905 -1.967 -9.599 1.00 0.00 N ATOM 135 CA ASN A 8 0.900 -2.321 -11.014 1.00 0.00 C ATOM 136 C ASN A 8 0.908 -1.061 -11.882 1.00 0.00 C ATOM 137 O ASN A 8 -0.130 -0.621 -12.380 1.00 0.00 O ATOM 138 CB ASN A 8 -0.294 -3.222 -11.369 1.00 0.00 C ATOM 139 CG ASN A 8 -0.276 -3.689 -12.817 1.00 0.00 C ATOM 140 OD1 ASN A 8 0.909 -3.827 -13.402 1.00 0.00 O flip ATOM 141 ND2 ASN A 8 -1.328 -3.931 -13.409 1.00 0.00 N flip ATOM 0 H ASN A 8 1.730 -2.294 -9.096 1.00 0.00 H new ATOM 0 HA ASN A 8 1.808 -2.889 -11.217 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.294 -4.092 -10.712 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -1.220 -2.680 -11.179 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -2.221 -3.815 -12.930 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.306 -4.248 -14.378 1.00 0.00 H new ATOM 148 N ASN A 9 2.098 -0.475 -12.007 1.00 0.00 N ATOM 149 CA ASN A 9 2.350 0.703 -12.852 1.00 0.00 C ATOM 150 C ASN A 9 1.786 2.000 -12.263 1.00 0.00 C ATOM 151 O ASN A 9 2.456 3.030 -12.286 1.00 0.00 O ATOM 152 CB ASN A 9 1.802 0.506 -14.268 1.00 0.00 C ATOM 153 CG ASN A 9 2.163 1.658 -15.187 1.00 0.00 C ATOM 154 OD1 ASN A 9 3.245 2.239 -15.081 1.00 0.00 O ATOM 155 ND2 ASN A 9 1.253 2.015 -16.076 1.00 0.00 N ATOM 0 H ASN A 9 2.930 -0.806 -11.519 1.00 0.00 H new ATOM 0 HA ASN A 9 3.435 0.803 -12.893 1.00 0.00 H new ATOM 0 HB2 ASN A 9 2.194 -0.423 -14.682 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.718 0.403 -14.225 1.00 0.00 H new ATOM 0 HD21 ASN A 9 1.434 2.797 -16.706 1.00 0.00 H new ATOM 0 HD22 ASN A 9 0.369 1.509 -16.133 1.00 0.00 H new ATOM 162 N VAL A 10 0.578 1.967 -11.732 1.00 0.00 N ATOM 163 CA VAL A 10 -0.055 3.174 -11.253 1.00 0.00 C ATOM 164 C VAL A 10 0.497 3.547 -9.888 1.00 0.00 C ATOM 165 O VAL A 10 0.573 2.713 -8.983 1.00 0.00 O ATOM 166 CB VAL A 10 -1.593 3.040 -11.200 1.00 0.00 C ATOM 167 CG1 VAL A 10 -2.164 2.875 -12.601 1.00 0.00 C ATOM 168 CG2 VAL A 10 -2.021 1.881 -10.315 1.00 0.00 C ATOM 0 H VAL A 10 0.020 1.120 -11.623 1.00 0.00 H new ATOM 0 HA VAL A 10 0.173 3.971 -11.961 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.989 3.957 -10.764 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.249 2.782 -12.543 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.906 3.746 -13.204 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.747 1.979 -13.061 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.109 1.816 -10.301 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.607 0.952 -10.707 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.654 2.042 -9.301 1.00 0.00 H new ATOM 178 N THR A 11 0.916 4.792 -9.755 1.00 0.00 N ATOM 179 CA THR A 11 1.561 5.236 -8.540 1.00 0.00 C ATOM 180 C THR A 11 0.527 5.474 -7.440 1.00 0.00 C ATOM 181 O THR A 11 -0.612 5.860 -7.715 1.00 0.00 O ATOM 182 CB THR A 11 2.405 6.514 -8.774 1.00 0.00 C ATOM 183 OG1 THR A 11 3.067 6.912 -7.565 1.00 0.00 O ATOM 184 CG2 THR A 11 1.541 7.660 -9.284 1.00 0.00 C ATOM 0 H THR A 11 0.820 5.510 -10.473 1.00 0.00 H new ATOM 0 HA THR A 11 2.240 4.445 -8.221 1.00 0.00 H new ATOM 0 HB THR A 11 3.153 6.278 -9.531 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.596 7.720 -7.733 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.162 8.543 -9.439 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.076 7.373 -10.227 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.766 7.885 -8.551 1.00 0.00 H new ATOM 192 N LEU A 12 0.935 5.236 -6.204 1.00 0.00 N ATOM 193 CA LEU A 12 0.042 5.327 -5.064 1.00 0.00 C ATOM 194 C LEU A 12 0.088 6.715 -4.428 1.00 0.00 C ATOM 195 O LEU A 12 1.035 7.474 -4.634 1.00 0.00 O ATOM 196 CB LEU A 12 0.435 4.261 -4.043 1.00 0.00 C ATOM 197 CG LEU A 12 -0.447 4.177 -2.798 1.00 0.00 C ATOM 198 CD1 LEU A 12 -1.843 3.687 -3.147 1.00 0.00 C ATOM 199 CD2 LEU A 12 0.196 3.274 -1.764 1.00 0.00 C ATOM 0 H LEU A 12 1.892 4.975 -5.965 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.980 5.159 -5.403 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.426 3.290 -4.538 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.461 4.448 -3.727 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.543 5.178 -2.378 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.448 3.637 -2.242 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.304 4.376 -3.854 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.779 2.696 -3.596 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.441 3.221 -0.881 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.322 2.275 -2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.170 3.676 -1.485 1.00 0.00 H new ATOM 211 N GLU A 13 -0.952 7.029 -3.663 1.00 0.00 N ATOM 212 CA GLU A 13 -1.044 8.283 -2.930 1.00 0.00 C ATOM 213 C GLU A 13 -1.233 7.985 -1.443 1.00 0.00 C ATOM 214 O GLU A 13 -2.274 7.469 -1.033 1.00 0.00 O ATOM 215 CB GLU A 13 -2.219 9.114 -3.463 1.00 0.00 C ATOM 216 CG GLU A 13 -2.397 10.461 -2.780 1.00 0.00 C ATOM 217 CD GLU A 13 -1.279 11.429 -3.096 1.00 0.00 C ATOM 218 OE1 GLU A 13 -0.263 11.429 -2.374 1.00 0.00 O ATOM 219 OE2 GLU A 13 -1.421 12.210 -4.063 1.00 0.00 O ATOM 0 H GLU A 13 -1.758 6.417 -3.534 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.126 8.855 -3.066 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.077 9.278 -4.531 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.137 8.538 -3.348 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.347 10.897 -3.088 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.449 10.313 -1.701 1.00 0.00 H new ATOM 226 N MET A 14 -0.227 8.297 -0.639 1.00 0.00 N ATOM 227 CA MET A 14 -0.253 7.974 0.788 1.00 0.00 C ATOM 228 C MET A 14 0.350 9.091 1.624 1.00 0.00 C ATOM 229 O MET A 14 0.627 10.186 1.131 1.00 0.00 O ATOM 230 CB MET A 14 0.508 6.667 1.061 1.00 0.00 C ATOM 231 CG MET A 14 1.834 6.578 0.339 1.00 0.00 C ATOM 232 SD MET A 14 2.669 5.014 0.629 1.00 0.00 S ATOM 233 CE MET A 14 4.117 5.268 -0.377 1.00 0.00 C ATOM 0 H MET A 14 0.620 8.774 -0.947 1.00 0.00 H new ATOM 0 HA MET A 14 -1.298 7.853 1.072 1.00 0.00 H new ATOM 0 HB2 MET A 14 0.680 6.574 2.133 1.00 0.00 H new ATOM 0 HB3 MET A 14 -0.116 5.824 0.764 1.00 0.00 H new ATOM 0 HG2 MET A 14 1.671 6.707 -0.731 1.00 0.00 H new ATOM 0 HG3 MET A 14 2.477 7.396 0.664 1.00 0.00 H new ATOM 0 HE1 MET A 14 4.182 4.479 -1.126 1.00 0.00 H new ATOM 0 HE2 MET A 14 4.050 6.236 -0.874 1.00 0.00 H new ATOM 0 HE3 MET A 14 5.006 5.245 0.253 1.00 0.00 H new ATOM 243 N ALA A 15 0.542 8.793 2.897 1.00 0.00 N ATOM 244 CA ALA A 15 1.154 9.716 3.832 1.00 0.00 C ATOM 245 C ALA A 15 1.948 8.930 4.858 1.00 0.00 C ATOM 246 O ALA A 15 3.143 9.152 5.042 1.00 0.00 O ATOM 247 CB ALA A 15 0.101 10.575 4.519 1.00 0.00 C ATOM 0 H ALA A 15 0.276 7.900 3.311 1.00 0.00 H new ATOM 0 HA ALA A 15 1.821 10.384 3.287 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.587 11.259 5.215 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.446 11.148 3.770 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.592 9.934 5.064 1.00 0.00 H new ATOM 253 N ALA A 16 1.281 7.987 5.509 1.00 0.00 N ATOM 254 CA ALA A 16 1.944 7.123 6.462 1.00 0.00 C ATOM 255 C ALA A 16 1.919 5.672 5.994 1.00 0.00 C ATOM 256 O ALA A 16 0.994 4.918 6.297 1.00 0.00 O ATOM 257 CB ALA A 16 1.316 7.263 7.841 1.00 0.00 C ATOM 0 H ALA A 16 0.284 7.805 5.392 1.00 0.00 H new ATOM 0 HA ALA A 16 2.987 7.432 6.532 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.829 6.605 8.543 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.406 8.295 8.179 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.262 6.989 7.790 1.00 0.00 H new ATOM 263 N TYR A 17 2.918 5.311 5.204 1.00 0.00 N ATOM 264 CA TYR A 17 3.161 3.918 4.851 1.00 0.00 C ATOM 265 C TYR A 17 3.668 3.161 6.082 1.00 0.00 C ATOM 266 O TYR A 17 4.869 3.136 6.363 1.00 0.00 O ATOM 267 CB TYR A 17 4.203 3.854 3.721 1.00 0.00 C ATOM 268 CG TYR A 17 4.488 2.473 3.174 1.00 0.00 C ATOM 269 CD1 TYR A 17 3.566 1.815 2.370 1.00 0.00 C ATOM 270 CD2 TYR A 17 5.701 1.845 3.430 1.00 0.00 C ATOM 271 CE1 TYR A 17 3.844 0.570 1.840 1.00 0.00 C ATOM 272 CE2 TYR A 17 5.981 0.600 2.908 1.00 0.00 C ATOM 273 CZ TYR A 17 5.054 -0.032 2.113 1.00 0.00 C ATOM 274 OH TYR A 17 5.341 -1.265 1.581 1.00 0.00 O ATOM 0 H TYR A 17 3.580 5.969 4.791 1.00 0.00 H new ATOM 0 HA TYR A 17 2.235 3.456 4.508 1.00 0.00 H new ATOM 0 HB2 TYR A 17 3.863 4.487 2.901 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.137 4.280 4.087 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.617 2.284 2.156 1.00 0.00 H new ATOM 0 HD2 TYR A 17 6.436 2.340 4.048 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.118 0.071 1.215 1.00 0.00 H new ATOM 0 HE2 TYR A 17 6.926 0.123 3.123 1.00 0.00 H new ATOM 0 HH TYR A 17 6.234 -1.546 1.870 1.00 0.00 H new ATOM 284 N GLN A 18 2.740 2.584 6.842 1.00 0.00 N ATOM 285 CA GLN A 18 3.090 1.843 8.045 1.00 0.00 C ATOM 286 C GLN A 18 3.293 0.380 7.694 1.00 0.00 C ATOM 287 O GLN A 18 2.372 -0.294 7.235 1.00 0.00 O ATOM 288 CB GLN A 18 1.994 1.994 9.099 1.00 0.00 C ATOM 289 CG GLN A 18 2.255 1.223 10.382 1.00 0.00 C ATOM 290 CD GLN A 18 1.055 1.226 11.310 1.00 0.00 C ATOM 291 OE1 GLN A 18 -0.139 1.275 10.735 1.00 0.00 O flip ATOM 292 NE2 GLN A 18 1.197 1.179 12.532 1.00 0.00 N flip ATOM 0 H GLN A 18 1.740 2.617 6.643 1.00 0.00 H new ATOM 0 HA GLN A 18 4.016 2.243 8.458 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.880 3.051 9.340 1.00 0.00 H new ATOM 0 HB3 GLN A 18 1.048 1.660 8.674 1.00 0.00 H new ATOM 0 HG2 GLN A 18 2.520 0.194 10.138 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.111 1.659 10.897 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.133 1.142 12.936 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.379 1.177 13.141 1.00 0.00 H new ATOM 301 N GLU A 19 4.496 -0.110 7.900 1.00 0.00 N ATOM 302 CA GLU A 19 4.840 -1.440 7.448 1.00 0.00 C ATOM 303 C GLU A 19 5.422 -2.288 8.566 1.00 0.00 C ATOM 304 O GLU A 19 6.147 -1.799 9.436 1.00 0.00 O ATOM 305 CB GLU A 19 5.834 -1.343 6.295 1.00 0.00 C ATOM 306 CG GLU A 19 7.100 -0.583 6.659 1.00 0.00 C ATOM 307 CD GLU A 19 8.045 -0.442 5.493 1.00 0.00 C ATOM 308 OE1 GLU A 19 8.463 -1.474 4.938 1.00 0.00 O ATOM 309 OE2 GLU A 19 8.369 0.708 5.118 1.00 0.00 O ATOM 0 H GLU A 19 5.248 0.389 8.375 1.00 0.00 H new ATOM 0 HA GLU A 19 3.925 -1.928 7.112 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.102 -2.348 5.969 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.353 -0.851 5.449 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.832 0.407 7.027 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.608 -1.099 7.474 1.00 0.00 H new ATOM 316 N GLU A 20 5.072 -3.557 8.543 1.00 0.00 N ATOM 317 CA GLU A 20 5.688 -4.543 9.396 1.00 0.00 C ATOM 318 C GLU A 20 6.144 -5.678 8.507 1.00 0.00 C ATOM 319 O GLU A 20 5.345 -6.499 8.067 1.00 0.00 O ATOM 320 CB GLU A 20 4.716 -5.023 10.476 1.00 0.00 C ATOM 321 CG GLU A 20 5.396 -5.759 11.616 1.00 0.00 C ATOM 322 CD GLU A 20 6.562 -4.981 12.189 1.00 0.00 C ATOM 323 OE1 GLU A 20 6.341 -4.155 13.099 1.00 0.00 O ATOM 324 OE2 GLU A 20 7.703 -5.188 11.725 1.00 0.00 O ATOM 0 H GLU A 20 4.349 -3.932 7.929 1.00 0.00 H new ATOM 0 HA GLU A 20 6.540 -4.117 9.926 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.178 -4.164 10.878 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.974 -5.679 10.021 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.669 -5.953 12.405 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.748 -6.728 11.261 1.00 0.00 H new ATOM 331 N SER A 21 7.432 -5.680 8.218 1.00 0.00 N ATOM 332 CA SER A 21 7.990 -6.511 7.168 1.00 0.00 C ATOM 333 C SER A 21 8.293 -7.926 7.646 1.00 0.00 C ATOM 334 O SER A 21 8.519 -8.818 6.828 1.00 0.00 O ATOM 335 CB SER A 21 9.267 -5.848 6.638 1.00 0.00 C ATOM 336 OG SER A 21 9.799 -6.541 5.522 1.00 0.00 O ATOM 0 H SER A 21 8.120 -5.106 8.704 1.00 0.00 H new ATOM 0 HA SER A 21 7.248 -6.599 6.374 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.051 -4.818 6.356 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.013 -5.811 7.432 1.00 0.00 H new ATOM 0 HG SER A 21 9.522 -7.480 5.558 1.00 0.00 H new ATOM 342 N GLU A 22 8.296 -8.160 8.954 1.00 0.00 N ATOM 343 CA GLU A 22 8.745 -9.469 9.428 1.00 0.00 C ATOM 344 C GLU A 22 7.856 -10.214 10.387 1.00 0.00 C ATOM 345 O GLU A 22 8.358 -11.023 11.166 1.00 0.00 O ATOM 346 CB GLU A 22 10.139 -9.411 10.005 1.00 0.00 C ATOM 347 CG GLU A 22 10.528 -8.068 10.586 1.00 0.00 C ATOM 348 CD GLU A 22 12.000 -8.006 10.914 1.00 0.00 C ATOM 349 OE1 GLU A 22 12.447 -8.780 11.786 1.00 0.00 O ATOM 350 OE2 GLU A 22 12.725 -7.206 10.285 1.00 0.00 O ATOM 0 H GLU A 22 8.009 -7.499 9.676 1.00 0.00 H new ATOM 0 HA GLU A 22 8.711 -10.050 8.506 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.227 -10.168 10.784 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.852 -9.674 9.224 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.280 -7.279 9.876 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.946 -7.880 11.488 1.00 0.00 H new ATOM 357 N PRO A 23 6.558 -10.027 10.378 1.00 0.00 N ATOM 358 CA PRO A 23 5.733 -11.149 10.669 1.00 0.00 C ATOM 359 C PRO A 23 5.364 -11.834 9.353 1.00 0.00 C ATOM 360 O PRO A 23 5.358 -13.060 9.226 1.00 0.00 O ATOM 361 CB PRO A 23 4.532 -10.534 11.378 1.00 0.00 C ATOM 362 CG PRO A 23 4.452 -9.119 10.879 1.00 0.00 C ATOM 363 CD PRO A 23 5.802 -8.768 10.288 1.00 0.00 C ATOM 0 HA PRO A 23 6.197 -11.917 11.288 1.00 0.00 H new ATOM 0 HB2 PRO A 23 3.618 -11.083 11.150 1.00 0.00 H new ATOM 0 HB3 PRO A 23 4.659 -10.562 12.460 1.00 0.00 H new ATOM 0 HG2 PRO A 23 3.668 -9.021 10.129 1.00 0.00 H new ATOM 0 HG3 PRO A 23 4.201 -8.439 11.693 1.00 0.00 H new ATOM 0 HD2 PRO A 23 5.712 -8.428 9.256 1.00 0.00 H new ATOM 0 HD3 PRO A 23 6.288 -7.968 10.846 1.00 0.00 H new ATOM 371 N LYS A 24 5.131 -10.966 8.381 1.00 0.00 N ATOM 372 CA LYS A 24 4.883 -11.248 6.994 1.00 0.00 C ATOM 373 C LYS A 24 5.091 -9.898 6.318 1.00 0.00 C ATOM 374 O LYS A 24 5.416 -8.945 7.017 1.00 0.00 O ATOM 375 CB LYS A 24 3.446 -11.719 6.764 1.00 0.00 C ATOM 376 CG LYS A 24 3.094 -13.069 7.380 1.00 0.00 C ATOM 377 CD LYS A 24 1.790 -13.626 6.823 1.00 0.00 C ATOM 378 CE LYS A 24 1.996 -14.227 5.442 1.00 0.00 C ATOM 379 NZ LYS A 24 0.718 -14.631 4.801 1.00 0.00 N ATOM 0 H LYS A 24 5.111 -9.964 8.569 1.00 0.00 H new ATOM 0 HA LYS A 24 5.528 -12.040 6.614 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.766 -10.967 7.165 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.266 -11.771 5.690 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.901 -13.776 7.190 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.011 -12.964 8.462 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.398 -14.386 7.499 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.045 -12.832 6.770 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.505 -13.502 4.806 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.650 -15.096 5.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.915 -15.065 3.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.227 -15.317 5.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.116 -13.793 4.668 1.00 0.00 H new ATOM 393 N ARG A 25 4.911 -9.766 5.017 1.00 0.00 N ATOM 394 CA ARG A 25 4.889 -8.423 4.440 1.00 0.00 C ATOM 395 C ARG A 25 3.547 -7.763 4.727 1.00 0.00 C ATOM 396 O ARG A 25 2.626 -7.830 3.919 1.00 0.00 O ATOM 397 CB ARG A 25 5.174 -8.412 2.935 1.00 0.00 C ATOM 398 CG ARG A 25 6.650 -8.543 2.594 1.00 0.00 C ATOM 399 CD ARG A 25 7.117 -9.978 2.695 1.00 0.00 C ATOM 400 NE ARG A 25 8.568 -10.108 2.656 1.00 0.00 N ATOM 401 CZ ARG A 25 9.220 -11.147 3.172 1.00 0.00 C ATOM 402 NH1 ARG A 25 8.533 -12.149 3.715 1.00 0.00 N ATOM 403 NH2 ARG A 25 10.545 -11.192 3.131 1.00 0.00 N ATOM 0 H ARG A 25 4.782 -10.534 4.358 1.00 0.00 H new ATOM 0 HA ARG A 25 5.693 -7.858 4.912 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.627 -9.229 2.464 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.792 -7.485 2.508 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.825 -8.172 1.584 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.237 -7.920 3.269 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.744 -10.412 3.623 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.684 -10.554 1.877 1.00 0.00 H new ATOM 0 HE ARG A 25 9.110 -9.367 2.212 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.514 -12.117 3.734 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.026 -12.949 4.112 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.068 -10.428 2.703 1.00 0.00 H new ATOM 0 HH22 ARG A 25 11.041 -11.990 3.528 1.00 0.00 H new ATOM 417 N LYS A 26 3.431 -7.157 5.901 1.00 0.00 N ATOM 418 CA LYS A 26 2.183 -6.541 6.318 1.00 0.00 C ATOM 419 C LYS A 26 2.285 -5.033 6.186 1.00 0.00 C ATOM 420 O LYS A 26 2.987 -4.377 6.956 1.00 0.00 O ATOM 421 CB LYS A 26 1.853 -6.922 7.764 1.00 0.00 C ATOM 422 CG LYS A 26 0.476 -6.461 8.216 1.00 0.00 C ATOM 423 CD LYS A 26 0.237 -6.770 9.685 1.00 0.00 C ATOM 424 CE LYS A 26 -1.193 -6.456 10.094 1.00 0.00 C ATOM 425 NZ LYS A 26 -1.569 -5.050 9.790 1.00 0.00 N ATOM 0 H LYS A 26 4.188 -7.080 6.580 1.00 0.00 H new ATOM 0 HA LYS A 26 1.381 -6.903 5.675 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.917 -8.005 7.869 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.606 -6.492 8.425 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.378 -5.388 8.048 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.288 -6.949 7.612 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.449 -7.822 9.876 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.928 -6.190 10.297 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.874 -7.132 9.577 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.312 -6.639 11.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.540 -4.872 10.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.916 -4.403 10.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.514 -4.890 8.764 1.00 0.00 H new ATOM 439 N ILE A 27 1.595 -4.484 5.208 1.00 0.00 N ATOM 440 CA ILE A 27 1.674 -3.063 4.944 1.00 0.00 C ATOM 441 C ILE A 27 0.319 -2.383 5.121 1.00 0.00 C ATOM 442 O ILE A 27 -0.603 -2.558 4.324 1.00 0.00 O ATOM 443 CB ILE A 27 2.249 -2.776 3.539 1.00 0.00 C ATOM 444 CG1 ILE A 27 1.479 -3.547 2.456 1.00 0.00 C ATOM 445 CG2 ILE A 27 3.725 -3.143 3.506 1.00 0.00 C ATOM 446 CD1 ILE A 27 1.959 -3.267 1.047 1.00 0.00 C ATOM 0 H ILE A 27 0.974 -4.999 4.584 1.00 0.00 H new ATOM 0 HA ILE A 27 2.360 -2.641 5.679 1.00 0.00 H new ATOM 0 HB ILE A 27 2.138 -1.712 3.330 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.565 -4.616 2.653 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.421 -3.294 2.526 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.128 -2.940 2.514 1.00 0.00 H new ATOM 0 HG22 ILE A 27 4.264 -2.550 4.245 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.842 -4.202 3.735 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.367 -3.847 0.339 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.847 -2.205 0.829 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.009 -3.547 0.958 1.00 0.00 H new ATOM 458 N ALA A 28 0.206 -1.622 6.194 1.00 0.00 N ATOM 459 CA ALA A 28 -0.994 -0.859 6.476 1.00 0.00 C ATOM 460 C ALA A 28 -0.704 0.622 6.284 1.00 0.00 C ATOM 461 O ALA A 28 -0.143 1.281 7.163 1.00 0.00 O ATOM 462 CB ALA A 28 -1.485 -1.134 7.891 1.00 0.00 C ATOM 0 H ALA A 28 0.942 -1.516 6.892 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.782 -1.161 5.787 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.386 -0.552 8.083 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.709 -2.195 7.999 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.712 -0.852 8.606 1.00 0.00 H new ATOM 468 N PHE A 29 -1.052 1.146 5.129 1.00 0.00 N ATOM 469 CA PHE A 29 -0.727 2.521 4.817 1.00 0.00 C ATOM 470 C PHE A 29 -1.977 3.370 4.679 1.00 0.00 C ATOM 471 O PHE A 29 -3.049 2.882 4.302 1.00 0.00 O ATOM 472 CB PHE A 29 0.150 2.612 3.561 1.00 0.00 C ATOM 473 CG PHE A 29 -0.325 1.796 2.390 1.00 0.00 C ATOM 474 CD1 PHE A 29 -1.198 2.330 1.455 1.00 0.00 C ATOM 475 CD2 PHE A 29 0.127 0.497 2.217 1.00 0.00 C ATOM 476 CE1 PHE A 29 -1.609 1.581 0.371 1.00 0.00 C ATOM 477 CE2 PHE A 29 -0.284 -0.255 1.137 1.00 0.00 C ATOM 478 CZ PHE A 29 -1.151 0.287 0.212 1.00 0.00 C ATOM 0 H PHE A 29 -1.556 0.646 4.396 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.152 2.920 5.653 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.212 3.656 3.255 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.161 2.295 3.819 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.560 3.340 1.576 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.809 0.069 2.937 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.288 2.006 -0.353 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.073 -1.267 1.016 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.472 -0.299 -0.636 1.00 0.00 H new ATOM 488 N THR A 30 -1.831 4.635 5.027 1.00 0.00 N ATOM 489 CA THR A 30 -2.915 5.581 4.931 1.00 0.00 C ATOM 490 C THR A 30 -2.970 6.206 3.558 1.00 0.00 C ATOM 491 O THR A 30 -1.978 6.748 3.065 1.00 0.00 O ATOM 492 CB THR A 30 -2.780 6.683 5.984 1.00 0.00 C ATOM 493 OG1 THR A 30 -1.401 6.850 6.348 1.00 0.00 O ATOM 494 CG2 THR A 30 -3.611 6.339 7.198 1.00 0.00 C ATOM 0 H THR A 30 -0.960 5.029 5.382 1.00 0.00 H new ATOM 0 HA THR A 30 -3.839 5.031 5.109 1.00 0.00 H new ATOM 0 HB THR A 30 -3.144 7.622 5.567 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.230 7.791 6.560 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.510 7.128 7.943 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.658 6.246 6.908 1.00 0.00 H new ATOM 0 HG23 THR A 30 -3.266 5.395 7.620 1.00 0.00 H new ATOM 502 N LEU A 31 -4.128 6.118 2.939 1.00 0.00 N ATOM 503 CA LEU A 31 -4.323 6.703 1.637 1.00 0.00 C ATOM 504 C LEU A 31 -5.081 8.015 1.783 1.00 0.00 C ATOM 505 O LEU A 31 -6.056 8.090 2.527 1.00 0.00 O ATOM 506 CB LEU A 31 -5.062 5.709 0.728 1.00 0.00 C ATOM 507 CG LEU A 31 -5.210 6.113 -0.744 1.00 0.00 C ATOM 508 CD1 LEU A 31 -5.349 4.875 -1.616 1.00 0.00 C ATOM 509 CD2 LEU A 31 -6.419 7.016 -0.942 1.00 0.00 C ATOM 0 H LEU A 31 -4.948 5.645 3.320 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.362 6.921 1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.539 4.754 0.769 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.058 5.545 1.139 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.315 6.662 -1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.453 5.174 -2.659 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.463 4.250 -1.505 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.231 4.312 -1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.501 7.288 -1.994 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.321 6.489 -0.632 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.301 7.918 -0.342 1.00 0.00 H new ATOM 521 N ASN A 32 -4.622 9.045 1.087 1.00 0.00 N ATOM 522 CA ASN A 32 -5.214 10.372 1.218 1.00 0.00 C ATOM 523 C ASN A 32 -6.610 10.411 0.606 1.00 0.00 C ATOM 524 O ASN A 32 -6.772 10.593 -0.600 1.00 0.00 O ATOM 525 CB ASN A 32 -4.320 11.430 0.559 1.00 0.00 C ATOM 526 CG ASN A 32 -4.776 12.849 0.864 1.00 0.00 C ATOM 527 OD1 ASN A 32 -5.562 13.443 0.122 1.00 0.00 O ATOM 528 ND2 ASN A 32 -4.275 13.404 1.954 1.00 0.00 N ATOM 0 H ASN A 32 -3.845 8.990 0.428 1.00 0.00 H new ATOM 0 HA ASN A 32 -5.298 10.596 2.281 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.294 11.300 0.903 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -4.316 11.277 -0.520 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -4.536 14.357 2.207 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -3.627 12.879 2.542 1.00 0.00 H new ATOM 535 N VAL A 33 -7.613 10.201 1.442 1.00 0.00 N ATOM 536 CA VAL A 33 -8.993 10.270 1.007 1.00 0.00 C ATOM 537 C VAL A 33 -9.641 11.559 1.492 1.00 0.00 C ATOM 538 O VAL A 33 -9.928 11.734 2.677 1.00 0.00 O ATOM 539 CB VAL A 33 -9.806 9.036 1.465 1.00 0.00 C ATOM 540 CG1 VAL A 33 -11.305 9.307 1.426 1.00 0.00 C ATOM 541 CG2 VAL A 33 -9.461 7.848 0.582 1.00 0.00 C ATOM 0 H VAL A 33 -7.493 9.980 2.431 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.995 10.268 -0.083 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.541 8.814 2.499 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.844 8.418 1.754 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.542 10.140 2.088 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -11.603 9.557 0.408 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.033 6.978 0.903 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.707 8.081 -0.454 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -8.396 7.632 0.663 1.00 0.00 H new ATOM 551 N THR A 34 -9.828 12.478 0.568 1.00 0.00 N ATOM 552 CA THR A 34 -10.482 13.729 0.869 1.00 0.00 C ATOM 553 C THR A 34 -11.955 13.664 0.468 1.00 0.00 C ATOM 554 O THR A 34 -12.385 12.712 -0.186 1.00 0.00 O ATOM 555 CB THR A 34 -9.775 14.899 0.163 1.00 0.00 C ATOM 556 OG1 THR A 34 -9.446 14.528 -1.184 1.00 0.00 O ATOM 557 CG2 THR A 34 -8.510 15.296 0.906 1.00 0.00 C ATOM 0 H THR A 34 -9.533 12.379 -0.403 1.00 0.00 H new ATOM 0 HA THR A 34 -10.423 13.901 1.944 1.00 0.00 H new ATOM 0 HB THR A 34 -10.453 15.752 0.153 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.998 15.277 -1.629 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.028 16.125 0.387 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.765 15.602 1.921 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.828 14.446 0.944 1.00 0.00 H new ATOM 565 N SER A 35 -12.705 14.682 0.863 1.00 0.00 N ATOM 566 CA SER A 35 -14.156 14.733 0.689 1.00 0.00 C ATOM 567 C SER A 35 -14.631 14.307 -0.711 1.00 0.00 C ATOM 568 O SER A 35 -15.525 13.465 -0.836 1.00 0.00 O ATOM 569 CB SER A 35 -14.642 16.155 0.995 1.00 0.00 C ATOM 570 OG SER A 35 -16.029 16.304 0.751 1.00 0.00 O ATOM 0 H SER A 35 -12.321 15.509 1.320 1.00 0.00 H new ATOM 0 HA SER A 35 -14.586 14.011 1.383 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.429 16.395 2.037 1.00 0.00 H new ATOM 0 HB3 SER A 35 -14.088 16.867 0.384 1.00 0.00 H new ATOM 0 HG SER A 35 -16.164 16.900 -0.015 1.00 0.00 H new ATOM 576 N GLU A 36 -14.031 14.861 -1.757 1.00 0.00 N ATOM 577 CA GLU A 36 -14.606 14.750 -3.098 1.00 0.00 C ATOM 578 C GLU A 36 -14.305 13.406 -3.764 1.00 0.00 C ATOM 579 O GLU A 36 -15.003 13.003 -4.693 1.00 0.00 O ATOM 580 CB GLU A 36 -14.107 15.897 -3.977 1.00 0.00 C ATOM 581 CG GLU A 36 -14.227 17.264 -3.316 1.00 0.00 C ATOM 582 CD GLU A 36 -15.639 17.591 -2.866 1.00 0.00 C ATOM 583 OE1 GLU A 36 -16.061 17.103 -1.794 1.00 0.00 O ATOM 584 OE2 GLU A 36 -16.324 18.361 -3.563 1.00 0.00 O ATOM 0 H GLU A 36 -13.158 15.386 -1.708 1.00 0.00 H new ATOM 0 HA GLU A 36 -15.689 14.812 -2.987 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -13.064 15.718 -4.237 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -14.671 15.902 -4.909 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -13.560 17.303 -2.455 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.890 18.029 -4.015 1.00 0.00 H new ATOM 591 N THR A 37 -13.288 12.704 -3.291 1.00 0.00 N ATOM 592 CA THR A 37 -12.893 11.447 -3.913 1.00 0.00 C ATOM 593 C THR A 37 -13.185 10.264 -2.999 1.00 0.00 C ATOM 594 O THR A 37 -12.941 9.107 -3.354 1.00 0.00 O ATOM 595 CB THR A 37 -11.395 11.462 -4.273 1.00 0.00 C ATOM 596 OG1 THR A 37 -10.627 11.938 -3.157 1.00 0.00 O ATOM 597 CG2 THR A 37 -11.132 12.341 -5.486 1.00 0.00 C ATOM 0 H THR A 37 -12.725 12.978 -2.486 1.00 0.00 H new ATOM 0 HA THR A 37 -13.479 11.337 -4.825 1.00 0.00 H new ATOM 0 HB THR A 37 -11.095 10.442 -4.515 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.676 11.943 -3.393 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.067 12.333 -5.717 1.00 0.00 H new ATOM 0 HG22 THR A 37 -11.692 11.959 -6.340 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.449 13.362 -5.271 1.00 0.00 H new ATOM 605 N TYR A 38 -13.744 10.565 -1.836 1.00 0.00 N ATOM 606 CA TYR A 38 -13.897 9.580 -0.775 1.00 0.00 C ATOM 607 C TYR A 38 -14.792 8.404 -1.191 1.00 0.00 C ATOM 608 O TYR A 38 -14.448 7.246 -0.950 1.00 0.00 O ATOM 609 CB TYR A 38 -14.428 10.262 0.504 1.00 0.00 C ATOM 610 CG TYR A 38 -15.883 9.982 0.809 1.00 0.00 C ATOM 611 CD1 TYR A 38 -16.891 10.772 0.273 1.00 0.00 C ATOM 612 CD2 TYR A 38 -16.246 8.908 1.613 1.00 0.00 C ATOM 613 CE1 TYR A 38 -18.218 10.494 0.519 1.00 0.00 C ATOM 614 CE2 TYR A 38 -17.569 8.629 1.872 1.00 0.00 C ATOM 615 CZ TYR A 38 -18.554 9.424 1.320 1.00 0.00 C ATOM 616 OH TYR A 38 -19.877 9.133 1.542 1.00 0.00 O ATOM 0 H TYR A 38 -14.102 11.491 -1.602 1.00 0.00 H new ATOM 0 HA TYR A 38 -12.913 9.158 -0.570 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -13.824 9.937 1.351 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -14.291 11.339 0.409 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -16.631 11.618 -0.346 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -15.477 8.282 2.042 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -18.991 11.112 0.086 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -17.835 7.794 2.503 1.00 0.00 H new ATOM 0 HH TYR A 38 -20.176 8.457 0.898 1.00 0.00 H new ATOM 626 N HIS A 39 -15.920 8.688 -1.837 1.00 0.00 N ATOM 627 CA HIS A 39 -16.910 7.649 -2.109 1.00 0.00 C ATOM 628 C HIS A 39 -16.519 6.840 -3.343 1.00 0.00 C ATOM 629 O HIS A 39 -17.102 5.794 -3.628 1.00 0.00 O ATOM 630 CB HIS A 39 -18.303 8.265 -2.288 1.00 0.00 C ATOM 631 CG HIS A 39 -19.426 7.333 -1.930 1.00 0.00 C ATOM 632 ND1 HIS A 39 -20.187 7.476 -0.785 1.00 0.00 N ATOM 633 CD2 HIS A 39 -19.916 6.244 -2.567 1.00 0.00 C ATOM 634 CE1 HIS A 39 -21.088 6.514 -0.736 1.00 0.00 C ATOM 635 NE2 HIS A 39 -20.944 5.756 -1.805 1.00 0.00 N ATOM 0 H HIS A 39 -16.170 9.616 -2.178 1.00 0.00 H new ATOM 0 HA HIS A 39 -16.940 6.974 -1.254 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -18.376 9.161 -1.672 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -18.421 8.580 -3.325 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -19.562 5.836 -3.502 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -21.819 6.372 0.046 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -21.508 4.936 -2.029 1.00 0.00 H new ATOM 644 N ASP A 40 -15.522 7.324 -4.064 1.00 0.00 N ATOM 645 CA ASP A 40 -15.034 6.632 -5.247 1.00 0.00 C ATOM 646 C ASP A 40 -13.954 5.634 -4.858 1.00 0.00 C ATOM 647 O ASP A 40 -14.082 4.430 -5.101 1.00 0.00 O ATOM 648 CB ASP A 40 -14.484 7.636 -6.264 1.00 0.00 C ATOM 649 CG ASP A 40 -13.947 6.967 -7.514 1.00 0.00 C ATOM 650 OD1 ASP A 40 -14.748 6.656 -8.420 1.00 0.00 O ATOM 651 OD2 ASP A 40 -12.720 6.763 -7.602 1.00 0.00 O ATOM 0 H ASP A 40 -15.034 8.194 -3.852 1.00 0.00 H new ATOM 0 HA ASP A 40 -15.864 6.094 -5.705 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.273 8.335 -6.541 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.689 8.220 -5.799 1.00 0.00 H new ATOM 656 N ILE A 41 -12.911 6.140 -4.212 1.00 0.00 N ATOM 657 CA ILE A 41 -11.774 5.321 -3.812 1.00 0.00 C ATOM 658 C ILE A 41 -12.194 4.205 -2.856 1.00 0.00 C ATOM 659 O ILE A 41 -11.632 3.113 -2.889 1.00 0.00 O ATOM 660 CB ILE A 41 -10.679 6.182 -3.144 1.00 0.00 C ATOM 661 CG1 ILE A 41 -10.251 7.317 -4.081 1.00 0.00 C ATOM 662 CG2 ILE A 41 -9.485 5.318 -2.771 1.00 0.00 C ATOM 663 CD1 ILE A 41 -9.267 8.286 -3.454 1.00 0.00 C ATOM 0 H ILE A 41 -12.829 7.123 -3.952 1.00 0.00 H new ATOM 0 HA ILE A 41 -11.373 4.870 -4.720 1.00 0.00 H new ATOM 0 HB ILE A 41 -11.085 6.622 -2.233 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.803 6.887 -4.977 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -11.137 7.867 -4.399 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -8.721 5.937 -2.301 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -9.801 4.541 -2.075 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -9.076 4.856 -3.669 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -9.010 9.061 -4.176 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.718 8.744 -2.574 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -8.365 7.749 -3.161 1.00 0.00 H new ATOM 675 N ALA A 42 -13.205 4.476 -2.031 1.00 0.00 N ATOM 676 CA ALA A 42 -13.698 3.500 -1.055 1.00 0.00 C ATOM 677 C ALA A 42 -14.104 2.176 -1.711 1.00 0.00 C ATOM 678 O ALA A 42 -14.106 1.128 -1.063 1.00 0.00 O ATOM 679 CB ALA A 42 -14.873 4.083 -0.282 1.00 0.00 C ATOM 0 H ALA A 42 -13.702 5.367 -2.018 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.879 3.284 -0.369 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -15.232 3.350 0.441 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -14.553 4.983 0.242 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -15.676 4.333 -0.975 1.00 0.00 H new ATOM 685 N VAL A 43 -14.448 2.225 -2.991 1.00 0.00 N ATOM 686 CA VAL A 43 -14.871 1.031 -3.716 1.00 0.00 C ATOM 687 C VAL A 43 -13.767 0.548 -4.660 1.00 0.00 C ATOM 688 O VAL A 43 -13.670 -0.639 -4.974 1.00 0.00 O ATOM 689 CB VAL A 43 -16.161 1.304 -4.524 1.00 0.00 C ATOM 690 CG1 VAL A 43 -16.645 0.048 -5.234 1.00 0.00 C ATOM 691 CG2 VAL A 43 -17.253 1.857 -3.618 1.00 0.00 C ATOM 0 H VAL A 43 -14.443 3.078 -3.550 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.074 0.253 -2.980 1.00 0.00 H new ATOM 0 HB VAL A 43 -15.926 2.050 -5.284 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -17.553 0.273 -5.793 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -15.874 -0.302 -5.920 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -16.855 -0.728 -4.498 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.153 2.043 -4.204 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.475 1.135 -2.832 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.914 2.790 -3.168 1.00 0.00 H new ATOM 701 N LEU A 44 -12.928 1.472 -5.098 1.00 0.00 N ATOM 702 CA LEU A 44 -11.900 1.164 -6.085 1.00 0.00 C ATOM 703 C LEU A 44 -10.616 0.668 -5.437 1.00 0.00 C ATOM 704 O LEU A 44 -9.967 -0.240 -5.954 1.00 0.00 O ATOM 705 CB LEU A 44 -11.615 2.390 -6.953 1.00 0.00 C ATOM 706 CG LEU A 44 -12.548 2.570 -8.154 1.00 0.00 C ATOM 707 CD1 LEU A 44 -12.279 1.495 -9.192 1.00 0.00 C ATOM 708 CD2 LEU A 44 -14.003 2.526 -7.715 1.00 0.00 C ATOM 0 H LEU A 44 -12.937 2.443 -4.787 1.00 0.00 H new ATOM 0 HA LEU A 44 -12.281 0.358 -6.712 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -11.678 3.281 -6.328 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.589 2.328 -7.316 1.00 0.00 H new ATOM 0 HG LEU A 44 -12.353 3.546 -8.599 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.948 1.633 -10.041 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -11.245 1.566 -9.530 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -12.450 0.513 -8.751 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -14.649 2.656 -8.583 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -14.213 1.564 -7.247 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -14.192 3.326 -7.000 1.00 0.00 H new ATOM 720 N LEU A 45 -10.256 1.250 -4.308 1.00 0.00 N ATOM 721 CA LEU A 45 -9.043 0.874 -3.623 1.00 0.00 C ATOM 722 C LEU A 45 -9.395 0.426 -2.221 1.00 0.00 C ATOM 723 O LEU A 45 -9.468 1.227 -1.290 1.00 0.00 O ATOM 724 CB LEU A 45 -8.052 2.045 -3.585 1.00 0.00 C ATOM 725 CG LEU A 45 -7.626 2.585 -4.955 1.00 0.00 C ATOM 726 CD1 LEU A 45 -6.736 3.806 -4.795 1.00 0.00 C ATOM 727 CD2 LEU A 45 -6.906 1.513 -5.756 1.00 0.00 C ATOM 0 H LEU A 45 -10.791 1.987 -3.848 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.562 0.056 -4.159 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.498 2.859 -3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.160 1.728 -3.044 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.525 2.877 -5.498 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.444 4.175 -5.778 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.280 4.586 -4.262 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.844 3.535 -4.230 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.613 1.918 -6.725 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.018 1.189 -5.214 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.571 0.662 -5.905 1.00 0.00 H new ATOM 739 N TYR A 46 -9.638 -0.863 -2.111 1.00 0.00 N ATOM 740 CA TYR A 46 -9.986 -1.502 -0.849 1.00 0.00 C ATOM 741 C TYR A 46 -10.134 -3.001 -1.068 1.00 0.00 C ATOM 742 O TYR A 46 -9.891 -3.805 -0.168 1.00 0.00 O ATOM 743 CB TYR A 46 -11.289 -0.925 -0.275 1.00 0.00 C ATOM 744 CG TYR A 46 -11.633 -1.454 1.100 1.00 0.00 C ATOM 745 CD1 TYR A 46 -10.953 -1.007 2.225 1.00 0.00 C ATOM 746 CD2 TYR A 46 -12.631 -2.406 1.271 1.00 0.00 C ATOM 747 CE1 TYR A 46 -11.255 -1.494 3.482 1.00 0.00 C ATOM 748 CE2 TYR A 46 -12.939 -2.901 2.524 1.00 0.00 C ATOM 749 CZ TYR A 46 -12.249 -2.442 3.627 1.00 0.00 C ATOM 750 OH TYR A 46 -12.548 -2.933 4.878 1.00 0.00 O ATOM 0 H TYR A 46 -9.600 -1.508 -2.901 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.189 -1.310 -0.131 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -11.205 0.161 -0.227 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -12.108 -1.151 -0.957 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -10.175 -0.266 2.116 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -13.175 -2.765 0.410 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.717 -1.135 4.347 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -13.715 -3.643 2.639 1.00 0.00 H new ATOM 0 HH TYR A 46 -13.271 -3.591 4.807 1.00 0.00 H new ATOM 760 N GLU A 47 -10.528 -3.368 -2.280 1.00 0.00 N ATOM 761 CA GLU A 47 -10.711 -4.763 -2.637 1.00 0.00 C ATOM 762 C GLU A 47 -9.755 -5.173 -3.749 1.00 0.00 C ATOM 763 O GLU A 47 -8.991 -4.353 -4.249 1.00 0.00 O ATOM 764 CB GLU A 47 -12.150 -5.009 -3.086 1.00 0.00 C ATOM 765 CG GLU A 47 -12.583 -4.170 -4.284 1.00 0.00 C ATOM 766 CD GLU A 47 -13.851 -4.692 -4.925 1.00 0.00 C ATOM 767 OE1 GLU A 47 -13.760 -5.620 -5.762 1.00 0.00 O ATOM 768 OE2 GLU A 47 -14.943 -4.186 -4.605 1.00 0.00 O ATOM 0 H GLU A 47 -10.727 -2.712 -3.035 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.497 -5.365 -1.754 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.266 -6.064 -3.334 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.820 -4.803 -2.251 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.738 -3.139 -3.965 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.783 -4.158 -5.024 1.00 0.00 H new ATOM 775 N LYS A 48 -9.830 -6.449 -4.131 1.00 0.00 N ATOM 776 CA LYS A 48 -9.067 -7.007 -5.252 1.00 0.00 C ATOM 777 C LYS A 48 -7.594 -7.218 -4.911 1.00 0.00 C ATOM 778 O LYS A 48 -7.169 -7.059 -3.764 1.00 0.00 O ATOM 779 CB LYS A 48 -9.189 -6.131 -6.499 1.00 0.00 C ATOM 780 CG LYS A 48 -10.618 -5.869 -6.923 1.00 0.00 C ATOM 781 CD LYS A 48 -10.666 -5.240 -8.297 1.00 0.00 C ATOM 782 CE LYS A 48 -12.060 -4.737 -8.630 1.00 0.00 C ATOM 783 NZ LYS A 48 -13.106 -5.768 -8.393 1.00 0.00 N ATOM 0 H LYS A 48 -10.428 -7.132 -3.667 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.504 -7.984 -5.458 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.695 -5.178 -6.312 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.658 -6.610 -7.322 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.178 -6.804 -6.927 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.101 -5.211 -6.200 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.958 -4.412 -8.344 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.353 -5.970 -9.044 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.279 -3.856 -8.027 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.091 -4.425 -9.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.923 -5.581 -9.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.720 -6.710 -8.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.407 -5.735 -7.398 1.00 0.00 H new ATOM 797 N THR A 49 -6.825 -7.593 -5.930 1.00 0.00 N ATOM 798 CA THR A 49 -5.426 -7.927 -5.759 1.00 0.00 C ATOM 799 C THR A 49 -4.547 -6.837 -6.365 1.00 0.00 C ATOM 800 O THR A 49 -4.712 -6.468 -7.528 1.00 0.00 O ATOM 801 CB THR A 49 -5.111 -9.296 -6.407 1.00 0.00 C ATOM 802 OG1 THR A 49 -5.150 -9.205 -7.840 1.00 0.00 O ATOM 803 CG2 THR A 49 -6.124 -10.338 -5.956 1.00 0.00 C ATOM 0 H THR A 49 -7.158 -7.672 -6.891 1.00 0.00 H new ATOM 0 HA THR A 49 -5.213 -7.996 -4.692 1.00 0.00 H new ATOM 0 HB THR A 49 -4.110 -9.590 -6.092 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.081 -8.266 -8.110 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.891 -11.297 -6.419 1.00 0.00 H new ATOM 0 HG22 THR A 49 -6.083 -10.440 -4.872 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.125 -10.025 -6.254 1.00 0.00 H new ATOM 811 N PHE A 50 -3.630 -6.308 -5.572 1.00 0.00 N ATOM 812 CA PHE A 50 -2.784 -5.222 -6.027 1.00 0.00 C ATOM 813 C PHE A 50 -1.353 -5.699 -6.206 1.00 0.00 C ATOM 814 O PHE A 50 -0.795 -6.355 -5.333 1.00 0.00 O ATOM 815 CB PHE A 50 -2.836 -4.058 -5.034 1.00 0.00 C ATOM 816 CG PHE A 50 -4.197 -3.422 -4.925 1.00 0.00 C ATOM 817 CD1 PHE A 50 -4.588 -2.451 -5.829 1.00 0.00 C ATOM 818 CD2 PHE A 50 -5.086 -3.801 -3.928 1.00 0.00 C ATOM 819 CE1 PHE A 50 -5.834 -1.863 -5.743 1.00 0.00 C ATOM 820 CE2 PHE A 50 -6.337 -3.215 -3.838 1.00 0.00 C ATOM 821 CZ PHE A 50 -6.710 -2.244 -4.748 1.00 0.00 C ATOM 0 H PHE A 50 -3.454 -6.613 -4.615 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.155 -4.876 -6.992 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.531 -4.416 -4.051 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.113 -3.300 -5.336 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.909 -2.149 -6.613 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -4.799 -4.560 -3.216 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.123 -1.104 -6.455 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.020 -3.516 -3.058 1.00 0.00 H new ATOM 0 HZ PHE A 50 -7.685 -1.785 -4.680 1.00 0.00 H new ATOM 831 N ASN A 51 -0.768 -5.387 -7.349 1.00 0.00 N ATOM 832 CA ASN A 51 0.621 -5.739 -7.602 1.00 0.00 C ATOM 833 C ASN A 51 1.535 -4.711 -6.953 1.00 0.00 C ATOM 834 O ASN A 51 1.712 -3.613 -7.477 1.00 0.00 O ATOM 835 CB ASN A 51 0.919 -5.833 -9.104 1.00 0.00 C ATOM 836 CG ASN A 51 0.241 -7.017 -9.762 1.00 0.00 C ATOM 837 OD1 ASN A 51 0.759 -8.133 -9.740 1.00 0.00 O ATOM 838 ND2 ASN A 51 -0.914 -6.783 -10.369 1.00 0.00 N ATOM 0 H ASN A 51 -1.229 -4.893 -8.114 1.00 0.00 H new ATOM 0 HA ASN A 51 0.804 -6.722 -7.168 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.593 -4.915 -9.593 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.996 -5.908 -9.252 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -1.406 -7.542 -10.840 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.311 -5.843 -10.365 1.00 0.00 H new ATOM 845 N VAL A 52 2.086 -5.062 -5.805 1.00 0.00 N ATOM 846 CA VAL A 52 2.932 -4.149 -5.053 1.00 0.00 C ATOM 847 C VAL A 52 4.302 -4.033 -5.705 1.00 0.00 C ATOM 848 O VAL A 52 5.091 -4.980 -5.695 1.00 0.00 O ATOM 849 CB VAL A 52 3.099 -4.602 -3.588 1.00 0.00 C ATOM 850 CG1 VAL A 52 3.938 -3.602 -2.802 1.00 0.00 C ATOM 851 CG2 VAL A 52 1.740 -4.800 -2.927 1.00 0.00 C ATOM 0 H VAL A 52 1.963 -5.977 -5.370 1.00 0.00 H new ATOM 0 HA VAL A 52 2.441 -3.176 -5.058 1.00 0.00 H new ATOM 0 HB VAL A 52 3.623 -5.558 -3.588 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.041 -3.944 -1.772 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.925 -3.518 -3.257 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.449 -2.628 -2.814 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.881 -5.119 -1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.187 -3.861 -2.944 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.179 -5.561 -3.469 1.00 0.00 H new ATOM 861 N GLU A 53 4.562 -2.877 -6.294 1.00 0.00 N ATOM 862 CA GLU A 53 5.836 -2.615 -6.934 1.00 0.00 C ATOM 863 C GLU A 53 6.496 -1.410 -6.309 1.00 0.00 C ATOM 864 O GLU A 53 5.955 -0.303 -6.317 1.00 0.00 O ATOM 865 CB GLU A 53 5.652 -2.395 -8.436 1.00 0.00 C ATOM 866 CG GLU A 53 4.872 -3.498 -9.128 1.00 0.00 C ATOM 867 CD GLU A 53 4.773 -3.284 -10.623 1.00 0.00 C ATOM 868 OE1 GLU A 53 4.079 -2.336 -11.051 1.00 0.00 O ATOM 869 OE2 GLU A 53 5.398 -4.055 -11.380 1.00 0.00 O ATOM 0 H GLU A 53 3.901 -2.102 -6.341 1.00 0.00 H new ATOM 0 HA GLU A 53 6.478 -3.484 -6.789 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.139 -1.446 -8.594 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.633 -2.309 -8.904 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.352 -4.457 -8.932 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.869 -3.551 -8.704 1.00 0.00 H new ATOM 876 N VAL A 54 7.665 -1.640 -5.756 1.00 0.00 N ATOM 877 CA VAL A 54 8.411 -0.591 -5.111 1.00 0.00 C ATOM 878 C VAL A 54 9.848 -0.561 -5.633 1.00 0.00 C ATOM 879 O VAL A 54 10.636 -1.474 -5.380 1.00 0.00 O ATOM 880 CB VAL A 54 8.378 -0.749 -3.575 1.00 0.00 C ATOM 881 CG1 VAL A 54 8.875 -2.113 -3.135 1.00 0.00 C ATOM 882 CG2 VAL A 54 9.184 0.346 -2.932 1.00 0.00 C ATOM 0 H VAL A 54 8.120 -2.553 -5.742 1.00 0.00 H new ATOM 0 HA VAL A 54 7.941 0.362 -5.352 1.00 0.00 H new ATOM 0 HB VAL A 54 7.341 -0.668 -3.250 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.835 -2.182 -2.048 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.244 -2.888 -3.571 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.903 -2.251 -3.470 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.157 0.229 -1.849 1.00 0.00 H new ATOM 0 HG22 VAL A 54 10.216 0.289 -3.278 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.764 1.314 -3.203 1.00 0.00 H new ATOM 892 N PRO A 55 10.190 0.484 -6.405 1.00 0.00 N ATOM 893 CA PRO A 55 11.516 0.633 -7.015 1.00 0.00 C ATOM 894 C PRO A 55 12.646 0.658 -5.989 1.00 0.00 C ATOM 895 O PRO A 55 13.663 -0.013 -6.170 1.00 0.00 O ATOM 896 CB PRO A 55 11.432 1.978 -7.745 1.00 0.00 C ATOM 897 CG PRO A 55 9.979 2.215 -7.949 1.00 0.00 C ATOM 898 CD PRO A 55 9.300 1.602 -6.759 1.00 0.00 C ATOM 0 HA PRO A 55 11.748 -0.210 -7.666 1.00 0.00 H new ATOM 0 HB2 PRO A 55 11.883 2.776 -7.155 1.00 0.00 H new ATOM 0 HB3 PRO A 55 11.964 1.945 -8.696 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.762 3.281 -8.019 1.00 0.00 H new ATOM 0 HG3 PRO A 55 9.633 1.758 -8.876 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.202 2.314 -5.940 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.295 1.256 -7.002 1.00 0.00 H new ATOM 906 N GLU A 56 12.456 1.420 -4.913 1.00 0.00 N ATOM 907 CA GLU A 56 13.468 1.558 -3.862 1.00 0.00 C ATOM 908 C GLU A 56 13.934 0.202 -3.324 1.00 0.00 C ATOM 909 O GLU A 56 15.062 0.073 -2.850 1.00 0.00 O ATOM 910 CB GLU A 56 12.944 2.415 -2.698 1.00 0.00 C ATOM 911 CG GLU A 56 12.771 3.892 -3.028 1.00 0.00 C ATOM 912 CD GLU A 56 11.438 4.210 -3.673 1.00 0.00 C ATOM 913 OE1 GLU A 56 11.249 3.865 -4.857 1.00 0.00 O ATOM 914 OE2 GLU A 56 10.579 4.819 -2.995 1.00 0.00 O ATOM 0 H GLU A 56 11.605 1.956 -4.744 1.00 0.00 H new ATOM 0 HA GLU A 56 14.323 2.054 -4.322 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.984 2.014 -2.372 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.631 2.322 -1.857 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.872 4.476 -2.113 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.574 4.204 -3.696 1.00 0.00 H new ATOM 921 N ARG A 57 13.070 -0.805 -3.392 1.00 0.00 N ATOM 922 CA ARG A 57 13.403 -2.121 -2.856 1.00 0.00 C ATOM 923 C ARG A 57 13.275 -3.198 -3.928 1.00 0.00 C ATOM 924 O ARG A 57 13.335 -4.387 -3.624 1.00 0.00 O ATOM 925 CB ARG A 57 12.482 -2.461 -1.687 1.00 0.00 C ATOM 926 CG ARG A 57 12.397 -1.365 -0.639 1.00 0.00 C ATOM 927 CD ARG A 57 11.404 -1.720 0.449 1.00 0.00 C ATOM 928 NE ARG A 57 11.116 -0.582 1.317 1.00 0.00 N ATOM 929 CZ ARG A 57 10.346 -0.655 2.400 1.00 0.00 C ATOM 930 NH1 ARG A 57 9.848 -1.820 2.781 1.00 0.00 N ATOM 931 NH2 ARG A 57 10.085 0.432 3.111 1.00 0.00 N ATOM 0 H ARG A 57 12.142 -0.737 -3.809 1.00 0.00 H new ATOM 0 HA ARG A 57 14.437 -2.090 -2.512 1.00 0.00 H new ATOM 0 HB2 ARG A 57 11.482 -2.663 -2.071 1.00 0.00 H new ATOM 0 HB3 ARG A 57 12.833 -3.378 -1.214 1.00 0.00 H new ATOM 0 HG2 ARG A 57 13.381 -1.203 -0.198 1.00 0.00 H new ATOM 0 HG3 ARG A 57 12.102 -0.428 -1.112 1.00 0.00 H new ATOM 0 HD2 ARG A 57 10.478 -2.073 -0.006 1.00 0.00 H new ATOM 0 HD3 ARG A 57 11.799 -2.541 1.047 1.00 0.00 H new ATOM 0 HE ARG A 57 11.528 0.320 1.080 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.054 -2.663 2.245 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.258 -1.875 3.611 1.00 0.00 H new ATOM 0 HH21 ARG A 57 10.475 1.331 2.829 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.494 0.369 3.940 1.00 0.00 H new ATOM 945 N ASP A 58 13.081 -2.753 -5.175 1.00 0.00 N ATOM 946 CA ASP A 58 12.869 -3.630 -6.344 1.00 0.00 C ATOM 947 C ASP A 58 11.886 -4.777 -6.059 1.00 0.00 C ATOM 948 O ASP A 58 11.916 -5.812 -6.725 1.00 0.00 O ATOM 949 CB ASP A 58 14.203 -4.176 -6.890 1.00 0.00 C ATOM 950 CG ASP A 58 14.892 -5.182 -5.984 1.00 0.00 C ATOM 951 OD1 ASP A 58 14.590 -6.391 -6.081 1.00 0.00 O ATOM 952 OD2 ASP A 58 15.769 -4.774 -5.194 1.00 0.00 O ATOM 0 H ASP A 58 13.066 -1.760 -5.409 1.00 0.00 H new ATOM 0 HA ASP A 58 12.413 -3.005 -7.112 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.020 -4.643 -7.858 1.00 0.00 H new ATOM 0 HB3 ASP A 58 14.880 -3.339 -7.063 1.00 0.00 H new ATOM 957 N LEU A 59 10.976 -4.563 -5.117 1.00 0.00 N ATOM 958 CA LEU A 59 10.037 -5.606 -4.726 1.00 0.00 C ATOM 959 C LEU A 59 8.881 -5.648 -5.717 1.00 0.00 C ATOM 960 O LEU A 59 8.224 -4.632 -5.960 1.00 0.00 O ATOM 961 CB LEU A 59 9.508 -5.366 -3.301 1.00 0.00 C ATOM 962 CG LEU A 59 9.189 -6.627 -2.475 1.00 0.00 C ATOM 963 CD1 LEU A 59 8.830 -6.252 -1.045 1.00 0.00 C ATOM 964 CD2 LEU A 59 8.052 -7.424 -3.096 1.00 0.00 C ATOM 0 H LEU A 59 10.869 -3.683 -4.613 1.00 0.00 H new ATOM 0 HA LEU A 59 10.557 -6.564 -4.734 1.00 0.00 H new ATOM 0 HB2 LEU A 59 10.245 -4.776 -2.756 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.603 -4.762 -3.368 1.00 0.00 H new ATOM 0 HG LEU A 59 10.083 -7.250 -2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.608 -7.155 -0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.669 -5.731 -0.584 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.956 -5.601 -1.048 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.852 -8.307 -2.489 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.156 -6.805 -3.142 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.332 -7.732 -4.103 1.00 0.00 H new ATOM 976 N ALA A 60 8.670 -6.811 -6.310 1.00 0.00 N ATOM 977 CA ALA A 60 7.546 -7.032 -7.200 1.00 0.00 C ATOM 978 C ALA A 60 6.763 -8.253 -6.737 1.00 0.00 C ATOM 979 O ALA A 60 7.170 -9.393 -6.971 1.00 0.00 O ATOM 980 CB ALA A 60 8.017 -7.205 -8.638 1.00 0.00 C ATOM 0 H ALA A 60 9.272 -7.625 -6.188 1.00 0.00 H new ATOM 0 HA ALA A 60 6.894 -6.159 -7.170 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.156 -7.369 -9.286 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.546 -6.307 -8.958 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.687 -8.062 -8.701 1.00 0.00 H new ATOM 986 N PHE A 61 5.664 -8.010 -6.046 1.00 0.00 N ATOM 987 CA PHE A 61 4.867 -9.080 -5.473 1.00 0.00 C ATOM 988 C PHE A 61 3.408 -8.667 -5.408 1.00 0.00 C ATOM 989 O PHE A 61 3.090 -7.527 -5.073 1.00 0.00 O ATOM 990 CB PHE A 61 5.390 -9.420 -4.077 1.00 0.00 C ATOM 991 CG PHE A 61 4.642 -10.517 -3.373 1.00 0.00 C ATOM 992 CD1 PHE A 61 4.783 -11.837 -3.765 1.00 0.00 C ATOM 993 CD2 PHE A 61 3.809 -10.223 -2.306 1.00 0.00 C ATOM 994 CE1 PHE A 61 4.107 -12.845 -3.106 1.00 0.00 C ATOM 995 CE2 PHE A 61 3.129 -11.226 -1.644 1.00 0.00 C ATOM 996 CZ PHE A 61 3.277 -12.539 -2.045 1.00 0.00 C ATOM 0 H PHE A 61 5.301 -7.074 -5.867 1.00 0.00 H new ATOM 0 HA PHE A 61 4.946 -9.965 -6.104 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.438 -9.708 -4.157 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.353 -8.521 -3.462 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.429 -12.081 -4.595 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.690 -9.198 -1.988 1.00 0.00 H new ATOM 0 HE1 PHE A 61 4.227 -13.871 -3.420 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.482 -10.984 -0.814 1.00 0.00 H new ATOM 0 HZ PHE A 61 2.745 -13.325 -1.530 1.00 0.00 H new ATOM 1006 N ARG A 62 2.522 -9.588 -5.733 1.00 0.00 N ATOM 1007 CA ARG A 62 1.105 -9.283 -5.756 1.00 0.00 C ATOM 1008 C ARG A 62 0.507 -9.436 -4.364 1.00 0.00 C ATOM 1009 O ARG A 62 0.353 -10.549 -3.854 1.00 0.00 O ATOM 1010 CB ARG A 62 0.368 -10.178 -6.751 1.00 0.00 C ATOM 1011 CG ARG A 62 -1.066 -9.744 -7.003 1.00 0.00 C ATOM 1012 CD ARG A 62 -1.750 -10.639 -8.023 1.00 0.00 C ATOM 1013 NE ARG A 62 -2.032 -11.974 -7.492 1.00 0.00 N ATOM 1014 CZ ARG A 62 -1.621 -13.108 -8.061 1.00 0.00 C ATOM 1015 NH1 ARG A 62 -0.859 -13.073 -9.150 1.00 0.00 N ATOM 1016 NH2 ARG A 62 -1.970 -14.274 -7.536 1.00 0.00 N ATOM 0 H ARG A 62 2.756 -10.549 -5.983 1.00 0.00 H new ATOM 0 HA ARG A 62 0.987 -8.248 -6.078 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.910 -10.182 -7.696 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.370 -11.202 -6.378 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.623 -9.766 -6.067 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.078 -8.713 -7.357 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.682 -10.174 -8.344 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.118 -10.728 -8.906 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.577 -12.041 -6.633 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.587 -12.177 -9.553 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.547 -13.943 -9.582 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.552 -14.303 -6.699 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.657 -15.143 -7.969 1.00 0.00 H new ATOM 1030 N GLY A 63 0.193 -8.312 -3.754 1.00 0.00 N ATOM 1031 CA GLY A 63 -0.415 -8.315 -2.448 1.00 0.00 C ATOM 1032 C GLY A 63 -1.845 -7.830 -2.509 1.00 0.00 C ATOM 1033 O GLY A 63 -2.103 -6.662 -2.797 1.00 0.00 O ATOM 0 H GLY A 63 0.351 -7.384 -4.147 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.388 -9.323 -2.034 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.159 -7.678 -1.775 1.00 0.00 H new ATOM 1037 N GLU A 64 -2.773 -8.734 -2.271 1.00 0.00 N ATOM 1038 CA GLU A 64 -4.184 -8.390 -2.278 1.00 0.00 C ATOM 1039 C GLU A 64 -4.591 -7.832 -0.927 1.00 0.00 C ATOM 1040 O GLU A 64 -4.024 -8.207 0.098 1.00 0.00 O ATOM 1041 CB GLU A 64 -5.027 -9.619 -2.616 1.00 0.00 C ATOM 1042 CG GLU A 64 -4.734 -10.827 -1.748 1.00 0.00 C ATOM 1043 CD GLU A 64 -5.640 -11.992 -2.077 1.00 0.00 C ATOM 1044 OE1 GLU A 64 -5.330 -12.742 -3.029 1.00 0.00 O ATOM 1045 OE2 GLU A 64 -6.675 -12.150 -1.399 1.00 0.00 O ATOM 0 H GLU A 64 -2.577 -9.715 -2.070 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.355 -7.629 -3.040 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.082 -9.361 -2.518 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.860 -9.885 -3.660 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.695 -11.127 -1.882 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.855 -10.558 -0.699 1.00 0.00 H new ATOM 1052 N MET A 65 -5.559 -6.927 -0.922 1.00 0.00 N ATOM 1053 CA MET A 65 -6.053 -6.386 0.328 1.00 0.00 C ATOM 1054 C MET A 65 -6.891 -7.429 1.039 1.00 0.00 C ATOM 1055 O MET A 65 -8.033 -7.697 0.669 1.00 0.00 O ATOM 1056 CB MET A 65 -6.845 -5.098 0.111 1.00 0.00 C ATOM 1057 CG MET A 65 -5.964 -3.921 -0.267 1.00 0.00 C ATOM 1058 SD MET A 65 -6.853 -2.358 -0.332 1.00 0.00 S ATOM 1059 CE MET A 65 -7.354 -2.197 1.378 1.00 0.00 C ATOM 0 H MET A 65 -6.010 -6.558 -1.759 1.00 0.00 H new ATOM 0 HA MET A 65 -5.198 -6.130 0.954 1.00 0.00 H new ATOM 0 HB2 MET A 65 -7.584 -5.259 -0.674 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.394 -4.857 1.021 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.151 -3.839 0.454 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.510 -4.113 -1.239 1.00 0.00 H new ATOM 0 HE1 MET A 65 -7.711 -1.183 1.559 1.00 0.00 H new ATOM 0 HE2 MET A 65 -8.153 -2.907 1.591 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.503 -2.403 2.027 1.00 0.00 H new ATOM 1069 N THR A 66 -6.279 -8.045 2.029 1.00 0.00 N ATOM 1070 CA THR A 66 -6.913 -9.079 2.816 1.00 0.00 C ATOM 1071 C THR A 66 -7.939 -8.493 3.759 1.00 0.00 C ATOM 1072 O THR A 66 -9.007 -9.075 3.970 1.00 0.00 O ATOM 1073 CB THR A 66 -5.843 -9.831 3.614 1.00 0.00 C ATOM 1074 OG1 THR A 66 -4.797 -8.910 3.945 1.00 0.00 O ATOM 1075 CG2 THR A 66 -5.265 -10.992 2.819 1.00 0.00 C ATOM 0 H THR A 66 -5.321 -7.840 2.311 1.00 0.00 H new ATOM 0 HA THR A 66 -7.427 -9.765 2.143 1.00 0.00 H new ATOM 0 HB THR A 66 -6.299 -10.242 4.515 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.937 -9.268 3.640 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.509 -11.502 3.417 1.00 0.00 H new ATOM 0 HG22 THR A 66 -6.061 -11.692 2.566 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.810 -10.615 1.903 1.00 0.00 H new ATOM 1083 N ASN A 67 -7.602 -7.327 4.294 1.00 0.00 N ATOM 1084 CA ASN A 67 -8.417 -6.643 5.287 1.00 0.00 C ATOM 1085 C ASN A 67 -8.504 -7.459 6.576 1.00 0.00 C ATOM 1086 O ASN A 67 -8.222 -8.658 6.590 1.00 0.00 O ATOM 1087 CB ASN A 67 -9.833 -6.349 4.765 1.00 0.00 C ATOM 1088 CG ASN A 67 -9.859 -5.471 3.526 1.00 0.00 C ATOM 1089 OD1 ASN A 67 -8.867 -4.606 3.375 1.00 0.00 O flip ATOM 1090 ND2 ASN A 67 -10.774 -5.565 2.711 1.00 0.00 N flip ATOM 0 H ASN A 67 -6.748 -6.826 4.048 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.928 -5.692 5.496 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -10.331 -7.292 4.541 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -10.408 -5.865 5.554 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -11.522 -6.243 2.860 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -10.786 -4.965 1.886 1.00 0.00 H new ATOM 1097 N TYR A 68 -8.894 -6.818 7.666 1.00 0.00 N ATOM 1098 CA TYR A 68 -9.075 -7.536 8.916 1.00 0.00 C ATOM 1099 C TYR A 68 -10.183 -6.903 9.743 1.00 0.00 C ATOM 1100 O TYR A 68 -11.200 -7.538 10.019 1.00 0.00 O ATOM 1101 CB TYR A 68 -7.772 -7.577 9.717 1.00 0.00 C ATOM 1102 CG TYR A 68 -7.778 -8.627 10.807 1.00 0.00 C ATOM 1103 CD1 TYR A 68 -7.434 -9.941 10.521 1.00 0.00 C ATOM 1104 CD2 TYR A 68 -8.133 -8.312 12.114 1.00 0.00 C ATOM 1105 CE1 TYR A 68 -7.441 -10.914 11.504 1.00 0.00 C ATOM 1106 CE2 TYR A 68 -8.143 -9.279 13.104 1.00 0.00 C ATOM 1107 CZ TYR A 68 -7.797 -10.579 12.793 1.00 0.00 C ATOM 1108 OH TYR A 68 -7.805 -11.545 13.775 1.00 0.00 O ATOM 0 H TYR A 68 -9.089 -5.818 7.711 1.00 0.00 H new ATOM 0 HA TYR A 68 -9.362 -8.560 8.676 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.941 -7.771 9.038 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -7.596 -6.599 10.164 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.156 -10.209 9.512 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.405 -7.296 12.361 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -7.169 -11.931 11.263 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -8.420 -9.018 14.115 1.00 0.00 H new ATOM 0 HH TYR A 68 -8.078 -11.144 14.626 1.00 0.00 H new ATOM 1118 N SER A 69 -9.996 -5.647 10.121 1.00 0.00 N ATOM 1119 CA SER A 69 -10.957 -4.958 10.965 1.00 0.00 C ATOM 1120 C SER A 69 -11.857 -4.038 10.141 1.00 0.00 C ATOM 1121 O SER A 69 -11.560 -3.732 8.986 1.00 0.00 O ATOM 1122 CB SER A 69 -10.216 -4.168 12.050 1.00 0.00 C ATOM 1123 OG SER A 69 -9.104 -3.465 11.514 1.00 0.00 O ATOM 0 H SER A 69 -9.187 -5.085 9.856 1.00 0.00 H new ATOM 0 HA SER A 69 -11.598 -5.700 11.441 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.901 -3.463 12.520 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.876 -4.850 12.829 1.00 0.00 H new ATOM 0 HG SER A 69 -8.654 -2.970 12.230 1.00 0.00 H new ATOM 1129 N THR A 70 -12.969 -3.622 10.731 1.00 0.00 N ATOM 1130 CA THR A 70 -13.881 -2.697 10.079 1.00 0.00 C ATOM 1131 C THR A 70 -13.452 -1.261 10.364 1.00 0.00 C ATOM 1132 O THR A 70 -13.467 -0.814 11.514 1.00 0.00 O ATOM 1133 CB THR A 70 -15.332 -2.916 10.560 1.00 0.00 C ATOM 1134 OG1 THR A 70 -15.703 -4.294 10.396 1.00 0.00 O ATOM 1135 CG2 THR A 70 -16.304 -2.043 9.782 1.00 0.00 C ATOM 0 H THR A 70 -13.261 -3.913 11.664 1.00 0.00 H new ATOM 0 HA THR A 70 -13.846 -2.882 9.005 1.00 0.00 H new ATOM 0 HB THR A 70 -15.379 -2.642 11.614 1.00 0.00 H new ATOM 0 HG1 THR A 70 -16.624 -4.424 10.705 1.00 0.00 H new ATOM 0 HG21 THR A 70 -17.318 -2.218 10.142 1.00 0.00 H new ATOM 0 HG22 THR A 70 -16.044 -0.994 9.924 1.00 0.00 H new ATOM 0 HG23 THR A 70 -16.247 -2.291 8.722 1.00 0.00 H new ATOM 1143 N SER A 71 -13.044 -0.545 9.324 1.00 0.00 N ATOM 1144 CA SER A 71 -12.557 0.812 9.486 1.00 0.00 C ATOM 1145 C SER A 71 -12.786 1.651 8.224 1.00 0.00 C ATOM 1146 O SER A 71 -13.285 2.772 8.306 1.00 0.00 O ATOM 1147 CB SER A 71 -11.079 0.791 9.860 1.00 0.00 C ATOM 1148 OG SER A 71 -10.875 0.073 11.067 1.00 0.00 O ATOM 0 H SER A 71 -13.042 -0.884 8.362 1.00 0.00 H new ATOM 0 HA SER A 71 -13.122 1.281 10.291 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.502 0.332 9.057 1.00 0.00 H new ATOM 0 HB3 SER A 71 -10.713 1.812 9.972 1.00 0.00 H new ATOM 0 HG SER A 71 -9.920 0.070 11.288 1.00 0.00 H new ATOM 1154 N LEU A 72 -12.422 1.095 7.067 1.00 0.00 N ATOM 1155 CA LEU A 72 -12.595 1.759 5.762 1.00 0.00 C ATOM 1156 C LEU A 72 -11.788 3.065 5.667 1.00 0.00 C ATOM 1157 O LEU A 72 -10.658 3.069 5.181 1.00 0.00 O ATOM 1158 CB LEU A 72 -14.080 2.028 5.474 1.00 0.00 C ATOM 1159 CG LEU A 72 -14.395 2.556 4.070 1.00 0.00 C ATOM 1160 CD1 LEU A 72 -14.060 1.512 3.019 1.00 0.00 C ATOM 1161 CD2 LEU A 72 -15.857 2.965 3.967 1.00 0.00 C ATOM 0 H LEU A 72 -11.998 0.170 7.002 1.00 0.00 H new ATOM 0 HA LEU A 72 -12.209 1.076 5.005 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -14.635 1.103 5.628 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.449 2.747 6.205 1.00 0.00 H new ATOM 0 HG LEU A 72 -13.778 3.436 3.890 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -14.291 1.905 2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -12.999 1.267 3.074 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -14.650 0.613 3.198 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -16.061 3.337 2.963 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -16.491 2.102 4.170 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -16.068 3.749 4.694 1.00 0.00 H new ATOM 1173 N THR A 73 -12.366 4.169 6.126 1.00 0.00 N ATOM 1174 CA THR A 73 -11.690 5.461 6.093 1.00 0.00 C ATOM 1175 C THR A 73 -11.074 5.799 7.446 1.00 0.00 C ATOM 1176 O THR A 73 -10.466 6.856 7.616 1.00 0.00 O ATOM 1177 CB THR A 73 -12.657 6.588 5.693 1.00 0.00 C ATOM 1178 OG1 THR A 73 -13.993 6.243 6.088 1.00 0.00 O ATOM 1179 CG2 THR A 73 -12.613 6.868 4.196 1.00 0.00 C ATOM 0 H THR A 73 -13.304 4.195 6.526 1.00 0.00 H new ATOM 0 HA THR A 73 -10.900 5.382 5.347 1.00 0.00 H new ATOM 0 HB THR A 73 -12.343 7.496 6.207 1.00 0.00 H new ATOM 0 HG1 THR A 73 -14.606 6.964 5.833 1.00 0.00 H new ATOM 0 HG21 THR A 73 -13.310 7.670 3.955 1.00 0.00 H new ATOM 0 HG22 THR A 73 -11.604 7.167 3.911 1.00 0.00 H new ATOM 0 HG23 THR A 73 -12.893 5.968 3.649 1.00 0.00 H new ATOM 1187 N ASN A 74 -11.245 4.906 8.409 1.00 0.00 N ATOM 1188 CA ASN A 74 -10.701 5.122 9.742 1.00 0.00 C ATOM 1189 C ASN A 74 -9.390 4.370 9.925 1.00 0.00 C ATOM 1190 O ASN A 74 -9.343 3.148 9.834 1.00 0.00 O ATOM 1191 CB ASN A 74 -11.694 4.686 10.821 1.00 0.00 C ATOM 1192 CG ASN A 74 -11.164 4.951 12.220 1.00 0.00 C ATOM 1193 OD1 ASN A 74 -10.462 5.934 12.461 1.00 0.00 O ATOM 1194 ND2 ASN A 74 -11.497 4.075 13.157 1.00 0.00 N ATOM 0 H ASN A 74 -11.753 4.029 8.294 1.00 0.00 H new ATOM 0 HA ASN A 74 -10.515 6.191 9.846 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -12.636 5.217 10.683 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -11.908 3.623 10.709 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.170 4.203 14.115 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -12.080 3.272 12.921 1.00 0.00 H new ATOM 1201 N LEU A 75 -8.337 5.117 10.177 1.00 0.00 N ATOM 1202 CA LEU A 75 -7.023 4.552 10.452 1.00 0.00 C ATOM 1203 C LEU A 75 -6.197 5.614 11.151 1.00 0.00 C ATOM 1204 O LEU A 75 -5.417 5.336 12.061 1.00 0.00 O ATOM 1205 CB LEU A 75 -6.343 4.090 9.155 1.00 0.00 C ATOM 1206 CG LEU A 75 -5.021 3.335 9.335 1.00 0.00 C ATOM 1207 CD1 LEU A 75 -5.210 2.132 10.248 1.00 0.00 C ATOM 1208 CD2 LEU A 75 -4.473 2.891 7.985 1.00 0.00 C ATOM 0 H LEU A 75 -8.362 6.136 10.198 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.118 3.674 11.090 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.036 3.449 8.611 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.160 4.964 8.530 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.302 4.011 9.798 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.260 1.610 10.363 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.560 2.468 11.224 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.945 1.456 9.812 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.534 2.357 8.131 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.193 2.233 7.499 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.299 3.765 7.358 1.00 0.00 H new ATOM 1220 N TYR A 76 -6.398 6.842 10.703 1.00 0.00 N ATOM 1221 CA TYR A 76 -5.851 8.016 11.350 1.00 0.00 C ATOM 1222 C TYR A 76 -6.690 9.224 10.956 1.00 0.00 C ATOM 1223 O TYR A 76 -6.432 9.857 9.942 1.00 0.00 O ATOM 1224 CB TYR A 76 -4.378 8.218 10.959 1.00 0.00 C ATOM 1225 CG TYR A 76 -3.789 9.529 11.427 1.00 0.00 C ATOM 1226 CD1 TYR A 76 -3.840 9.902 12.763 1.00 0.00 C ATOM 1227 CD2 TYR A 76 -3.193 10.400 10.525 1.00 0.00 C ATOM 1228 CE1 TYR A 76 -3.311 11.106 13.186 1.00 0.00 C ATOM 1229 CE2 TYR A 76 -2.663 11.605 10.940 1.00 0.00 C ATOM 1230 CZ TYR A 76 -2.724 11.953 12.270 1.00 0.00 C ATOM 1231 OH TYR A 76 -2.202 13.155 12.687 1.00 0.00 O ATOM 0 H TYR A 76 -6.951 7.051 9.872 1.00 0.00 H new ATOM 0 HA TYR A 76 -5.884 7.888 12.432 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.788 7.399 11.372 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.290 8.159 9.874 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -4.300 9.241 13.483 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -3.143 10.130 9.480 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -3.357 11.382 14.229 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.203 12.271 10.225 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.824 13.632 11.919 1.00 0.00 H new ATOM 1241 N GLU A 77 -7.732 9.505 11.723 1.00 0.00 N ATOM 1242 CA GLU A 77 -8.621 10.616 11.410 1.00 0.00 C ATOM 1243 C GLU A 77 -8.175 11.890 12.122 1.00 0.00 C ATOM 1244 O GLU A 77 -8.347 12.024 13.336 1.00 0.00 O ATOM 1245 CB GLU A 77 -10.067 10.283 11.799 1.00 0.00 C ATOM 1246 CG GLU A 77 -11.050 11.408 11.505 1.00 0.00 C ATOM 1247 CD GLU A 77 -12.426 11.144 12.077 1.00 0.00 C ATOM 1248 OE1 GLU A 77 -12.602 11.306 13.304 1.00 0.00 O ATOM 1249 OE2 GLU A 77 -13.339 10.771 11.310 1.00 0.00 O ATOM 0 H GLU A 77 -7.983 8.983 12.563 1.00 0.00 H new ATOM 0 HA GLU A 77 -8.575 10.783 10.334 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.382 9.387 11.264 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.104 10.048 12.863 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -10.663 12.340 11.916 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.129 11.544 10.426 1.00 0.00 H new ATOM 1256 N PRO A 78 -7.582 12.836 11.380 1.00 0.00 N ATOM 1257 CA PRO A 78 -7.198 14.134 11.918 1.00 0.00 C ATOM 1258 C PRO A 78 -8.398 15.071 12.000 1.00 0.00 C ATOM 1259 O PRO A 78 -8.458 15.956 12.853 1.00 0.00 O ATOM 1260 CB PRO A 78 -6.161 14.658 10.909 1.00 0.00 C ATOM 1261 CG PRO A 78 -5.986 13.572 9.892 1.00 0.00 C ATOM 1262 CD PRO A 78 -7.216 12.720 9.970 1.00 0.00 C ATOM 0 HA PRO A 78 -6.805 14.067 12.932 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -6.505 15.580 10.440 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -5.216 14.885 11.403 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -5.866 13.991 8.893 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -5.092 12.984 10.101 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -8.006 13.084 9.313 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.015 11.687 9.685 1.00 0.00 H new ATOM 1270 N GLY A 79 -9.365 14.854 11.116 1.00 0.00 N ATOM 1271 CA GLY A 79 -10.555 15.675 11.106 1.00 0.00 C ATOM 1272 C GLY A 79 -11.141 15.840 9.719 1.00 0.00 C ATOM 1273 O GLY A 79 -11.917 15.002 9.268 1.00 0.00 O ATOM 0 H GLY A 79 -9.343 14.122 10.406 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -11.304 15.230 11.761 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.317 16.657 11.514 1.00 0.00 H new ATOM 1277 N ALA A 80 -10.739 16.900 9.030 1.00 0.00 N ATOM 1278 CA ALA A 80 -11.324 17.256 7.735 1.00 0.00 C ATOM 1279 C ALA A 80 -10.775 16.412 6.576 1.00 0.00 C ATOM 1280 O ALA A 80 -10.840 16.826 5.418 1.00 0.00 O ATOM 1281 CB ALA A 80 -11.091 18.734 7.462 1.00 0.00 C ATOM 0 H ALA A 80 -10.005 17.535 9.345 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.392 17.046 7.794 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -11.526 18.999 6.498 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -11.559 19.327 8.247 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.020 18.936 7.444 1.00 0.00 H new ATOM 1287 N VAL A 81 -10.260 15.231 6.879 1.00 0.00 N ATOM 1288 CA VAL A 81 -9.729 14.337 5.854 1.00 0.00 C ATOM 1289 C VAL A 81 -9.749 12.896 6.357 1.00 0.00 C ATOM 1290 O VAL A 81 -9.539 12.644 7.547 1.00 0.00 O ATOM 1291 CB VAL A 81 -8.295 14.744 5.434 1.00 0.00 C ATOM 1292 CG1 VAL A 81 -7.337 14.676 6.611 1.00 0.00 C ATOM 1293 CG2 VAL A 81 -7.793 13.883 4.282 1.00 0.00 C ATOM 0 H VAL A 81 -10.197 14.865 7.829 1.00 0.00 H new ATOM 0 HA VAL A 81 -10.365 14.417 4.973 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.336 15.778 5.091 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -6.339 14.967 6.285 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.675 15.354 7.395 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.309 13.658 6.999 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.784 14.192 4.009 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.782 12.837 4.588 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.454 14.003 3.423 1.00 0.00 H new ATOM 1303 N SER A 82 -10.032 11.961 5.462 1.00 0.00 N ATOM 1304 CA SER A 82 -10.093 10.559 5.821 1.00 0.00 C ATOM 1305 C SER A 82 -8.830 9.832 5.374 1.00 0.00 C ATOM 1306 O SER A 82 -8.703 9.448 4.214 1.00 0.00 O ATOM 1307 CB SER A 82 -11.325 9.900 5.184 1.00 0.00 C ATOM 1308 OG SER A 82 -12.515 10.610 5.508 1.00 0.00 O ATOM 0 H SER A 82 -10.223 12.153 4.479 1.00 0.00 H new ATOM 0 HA SER A 82 -10.171 10.489 6.906 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.203 9.865 4.101 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.408 8.869 5.529 1.00 0.00 H new ATOM 0 HG SER A 82 -13.283 10.170 5.088 1.00 0.00 H new ATOM 1314 N GLU A 83 -7.884 9.672 6.286 1.00 0.00 N ATOM 1315 CA GLU A 83 -6.715 8.853 6.011 1.00 0.00 C ATOM 1316 C GLU A 83 -7.151 7.400 5.887 1.00 0.00 C ATOM 1317 O GLU A 83 -7.455 6.743 6.885 1.00 0.00 O ATOM 1318 CB GLU A 83 -5.666 9.005 7.114 1.00 0.00 C ATOM 1319 CG GLU A 83 -5.059 10.395 7.202 1.00 0.00 C ATOM 1320 CD GLU A 83 -4.338 10.801 5.936 1.00 0.00 C ATOM 1321 OE1 GLU A 83 -3.466 10.039 5.471 1.00 0.00 O ATOM 1322 OE2 GLU A 83 -4.640 11.892 5.402 1.00 0.00 O ATOM 0 H GLU A 83 -7.902 10.094 7.214 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.259 9.182 5.077 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.123 8.758 8.072 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -4.868 8.281 6.945 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -5.847 11.118 7.414 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.362 10.430 8.039 1.00 0.00 H new ATOM 1329 N PHE A 84 -7.196 6.917 4.653 1.00 0.00 N ATOM 1330 CA PHE A 84 -7.818 5.641 4.342 1.00 0.00 C ATOM 1331 C PHE A 84 -7.092 4.474 4.987 1.00 0.00 C ATOM 1332 O PHE A 84 -5.864 4.448 5.078 1.00 0.00 O ATOM 1333 CB PHE A 84 -7.887 5.429 2.833 1.00 0.00 C ATOM 1334 CG PHE A 84 -9.131 4.713 2.400 1.00 0.00 C ATOM 1335 CD1 PHE A 84 -10.340 5.373 2.413 1.00 0.00 C ATOM 1336 CD2 PHE A 84 -9.097 3.395 1.985 1.00 0.00 C ATOM 1337 CE1 PHE A 84 -11.497 4.745 2.022 1.00 0.00 C ATOM 1338 CE2 PHE A 84 -10.255 2.751 1.589 1.00 0.00 C ATOM 1339 CZ PHE A 84 -11.459 3.428 1.607 1.00 0.00 C ATOM 0 H PHE A 84 -6.804 7.398 3.843 1.00 0.00 H new ATOM 0 HA PHE A 84 -8.827 5.676 4.753 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -7.838 6.396 2.333 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -7.015 4.859 2.511 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -10.379 6.403 2.736 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -8.157 2.863 1.970 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -12.435 5.280 2.039 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.218 1.721 1.266 1.00 0.00 H new ATOM 0 HZ PHE A 84 -12.366 2.930 1.298 1.00 0.00 H new ATOM 1349 N TYR A 85 -7.880 3.507 5.409 1.00 0.00 N ATOM 1350 CA TYR A 85 -7.385 2.314 6.054 1.00 0.00 C ATOM 1351 C TYR A 85 -7.072 1.246 5.010 1.00 0.00 C ATOM 1352 O TYR A 85 -7.902 0.392 4.693 1.00 0.00 O ATOM 1353 CB TYR A 85 -8.437 1.855 7.074 1.00 0.00 C ATOM 1354 CG TYR A 85 -8.335 0.430 7.565 1.00 0.00 C ATOM 1355 CD1 TYR A 85 -7.210 -0.041 8.233 1.00 0.00 C ATOM 1356 CD2 TYR A 85 -9.401 -0.438 7.381 1.00 0.00 C ATOM 1357 CE1 TYR A 85 -7.158 -1.343 8.701 1.00 0.00 C ATOM 1358 CE2 TYR A 85 -9.359 -1.732 7.841 1.00 0.00 C ATOM 1359 CZ TYR A 85 -8.238 -2.185 8.501 1.00 0.00 C ATOM 1360 OH TYR A 85 -8.193 -3.482 8.958 1.00 0.00 O ATOM 0 H TYR A 85 -8.895 3.530 5.311 1.00 0.00 H new ATOM 0 HA TYR A 85 -6.452 2.510 6.583 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -8.383 2.517 7.939 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.423 1.991 6.630 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -6.367 0.616 8.389 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -10.283 -0.089 6.865 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -6.280 -1.699 9.219 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -10.201 -2.391 7.686 1.00 0.00 H new ATOM 0 HH TYR A 85 -8.377 -3.496 9.921 1.00 0.00 H new ATOM 1370 N ILE A 86 -5.883 1.337 4.431 1.00 0.00 N ATOM 1371 CA ILE A 86 -5.443 0.347 3.468 1.00 0.00 C ATOM 1372 C ILE A 86 -4.540 -0.665 4.149 1.00 0.00 C ATOM 1373 O ILE A 86 -3.345 -0.430 4.329 1.00 0.00 O ATOM 1374 CB ILE A 86 -4.693 0.970 2.275 1.00 0.00 C ATOM 1375 CG1 ILE A 86 -5.566 2.000 1.554 1.00 0.00 C ATOM 1376 CG2 ILE A 86 -4.267 -0.125 1.311 1.00 0.00 C ATOM 1377 CD1 ILE A 86 -6.754 1.398 0.830 1.00 0.00 C ATOM 0 H ILE A 86 -5.212 2.083 4.612 1.00 0.00 H new ATOM 0 HA ILE A 86 -6.339 -0.137 3.078 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.809 1.484 2.652 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.926 2.728 2.280 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.952 2.543 0.836 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.737 0.318 0.468 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.610 -0.827 1.825 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.149 -0.653 0.948 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -7.324 2.190 0.344 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -6.402 0.691 0.079 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -7.392 0.879 1.546 1.00 0.00 H new ATOM 1389 N GLU A 87 -5.124 -1.776 4.556 1.00 0.00 N ATOM 1390 CA GLU A 87 -4.377 -2.818 5.223 1.00 0.00 C ATOM 1391 C GLU A 87 -4.102 -3.954 4.255 1.00 0.00 C ATOM 1392 O GLU A 87 -5.033 -4.568 3.725 1.00 0.00 O ATOM 1393 CB GLU A 87 -5.159 -3.334 6.430 1.00 0.00 C ATOM 1394 CG GLU A 87 -4.280 -3.843 7.560 1.00 0.00 C ATOM 1395 CD GLU A 87 -3.369 -4.983 7.158 1.00 0.00 C ATOM 1396 OE1 GLU A 87 -3.878 -6.047 6.759 1.00 0.00 O ATOM 1397 OE2 GLU A 87 -2.136 -4.813 7.261 1.00 0.00 O ATOM 0 H GLU A 87 -6.116 -1.978 4.435 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.428 -2.409 5.570 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.794 -2.533 6.809 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.820 -4.138 6.106 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.672 -3.019 7.935 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.915 -4.171 8.383 1.00 0.00 H new ATOM 1404 N ILE A 88 -2.831 -4.210 4.005 1.00 0.00 N ATOM 1405 CA ILE A 88 -2.439 -5.327 3.176 1.00 0.00 C ATOM 1406 C ILE A 88 -1.445 -6.212 3.914 1.00 0.00 C ATOM 1407 O ILE A 88 -0.233 -6.005 3.826 1.00 0.00 O ATOM 1408 CB ILE A 88 -1.800 -4.874 1.841 1.00 0.00 C ATOM 1409 CG1 ILE A 88 -2.730 -3.925 1.088 1.00 0.00 C ATOM 1410 CG2 ILE A 88 -1.467 -6.082 0.972 1.00 0.00 C ATOM 1411 CD1 ILE A 88 -2.125 -3.354 -0.177 1.00 0.00 C ATOM 0 H ILE A 88 -2.054 -3.657 4.366 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.350 -5.882 2.951 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.877 -4.342 2.071 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.647 -4.456 0.834 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.009 -3.104 1.749 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.019 -5.745 0.037 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.765 -6.727 1.500 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.379 -6.638 0.757 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -2.844 -2.690 -0.657 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.223 -2.794 0.071 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.871 -4.166 -0.858 1.00 0.00 H new ATOM 1423 N THR A 89 -1.948 -7.159 4.687 1.00 0.00 N ATOM 1424 CA THR A 89 -1.086 -8.178 5.240 1.00 0.00 C ATOM 1425 C THR A 89 -0.742 -9.172 4.137 1.00 0.00 C ATOM 1426 O THR A 89 -1.574 -9.448 3.266 1.00 0.00 O ATOM 1427 CB THR A 89 -1.722 -8.902 6.458 1.00 0.00 C ATOM 1428 OG1 THR A 89 -0.737 -9.696 7.135 1.00 0.00 O ATOM 1429 CG2 THR A 89 -2.883 -9.795 6.049 1.00 0.00 C ATOM 0 H THR A 89 -2.933 -7.240 4.940 1.00 0.00 H new ATOM 0 HA THR A 89 -0.181 -7.699 5.614 1.00 0.00 H new ATOM 0 HB THR A 89 -2.103 -8.129 7.125 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.150 -10.146 7.902 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.297 -10.281 6.932 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.655 -9.192 5.571 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.530 -10.553 5.350 1.00 0.00 H new ATOM 1437 N GLU A 90 0.495 -9.654 4.148 1.00 0.00 N ATOM 1438 CA GLU A 90 0.974 -10.597 3.146 1.00 0.00 C ATOM 1439 C GLU A 90 -0.037 -11.712 2.932 1.00 0.00 C ATOM 1440 O GLU A 90 -0.454 -12.368 3.891 1.00 0.00 O ATOM 1441 CB GLU A 90 2.309 -11.188 3.593 1.00 0.00 C ATOM 1442 CG GLU A 90 2.991 -12.062 2.554 1.00 0.00 C ATOM 1443 CD GLU A 90 4.223 -12.750 3.107 1.00 0.00 C ATOM 1444 OE1 GLU A 90 5.157 -12.050 3.543 1.00 0.00 O ATOM 1445 OE2 GLU A 90 4.255 -13.997 3.123 1.00 0.00 O ATOM 0 H GLU A 90 1.192 -9.403 4.849 1.00 0.00 H new ATOM 0 HA GLU A 90 1.108 -10.066 2.204 1.00 0.00 H new ATOM 0 HB2 GLU A 90 2.981 -10.373 3.861 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.147 -11.778 4.495 1.00 0.00 H new ATOM 0 HG2 GLU A 90 2.288 -12.813 2.195 1.00 0.00 H new ATOM 0 HG3 GLU A 90 3.272 -11.452 1.696 1.00 0.00 H new ATOM 1452 N ILE A 91 -0.430 -11.907 1.676 1.00 0.00 N ATOM 1453 CA ILE A 91 -1.399 -12.933 1.314 1.00 0.00 C ATOM 1454 C ILE A 91 -0.995 -14.283 1.904 1.00 0.00 C ATOM 1455 O ILE A 91 0.191 -14.620 1.954 1.00 0.00 O ATOM 1456 CB ILE A 91 -1.533 -13.058 -0.222 1.00 0.00 C ATOM 1457 CG1 ILE A 91 -2.666 -14.028 -0.572 1.00 0.00 C ATOM 1458 CG2 ILE A 91 -0.214 -13.496 -0.855 1.00 0.00 C ATOM 1459 CD1 ILE A 91 -2.601 -14.578 -1.979 1.00 0.00 C ATOM 0 H ILE A 91 -0.087 -11.361 0.886 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.364 -12.635 1.724 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.779 -12.078 -0.631 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -2.647 -14.860 0.132 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.620 -13.518 -0.437 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.338 -13.576 -1.935 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.559 -12.761 -0.631 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.079 -14.465 -0.451 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.439 -15.255 -2.144 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.653 -13.756 -2.694 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.665 -15.119 -2.115 1.00 0.00 H new ATOM 1471 N ASP A 92 -1.966 -15.044 2.379 1.00 0.00 N ATOM 1472 CA ASP A 92 -1.667 -16.311 3.019 1.00 0.00 C ATOM 1473 C ASP A 92 -1.744 -17.460 2.048 1.00 0.00 C ATOM 1474 O ASP A 92 -2.310 -17.353 0.961 1.00 0.00 O ATOM 1475 CB ASP A 92 -2.603 -16.594 4.193 1.00 0.00 C ATOM 1476 CG ASP A 92 -2.286 -15.745 5.405 1.00 0.00 C ATOM 1477 OD1 ASP A 92 -1.208 -15.963 6.008 1.00 0.00 O ATOM 1478 OD2 ASP A 92 -3.091 -14.861 5.744 1.00 0.00 O ATOM 0 H ASP A 92 -2.958 -14.809 2.334 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.646 -16.223 3.391 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -3.632 -16.411 3.885 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -2.533 -17.648 4.463 1.00 0.00 H new ATOM 1483 N LYS A 93 -1.196 -18.578 2.481 1.00 0.00 N ATOM 1484 CA LYS A 93 -1.212 -19.800 1.698 1.00 0.00 C ATOM 1485 C LYS A 93 -2.386 -20.648 2.126 1.00 0.00 C ATOM 1486 O LYS A 93 -2.577 -21.782 1.691 1.00 0.00 O ATOM 1487 CB LYS A 93 0.102 -20.549 1.859 1.00 0.00 C ATOM 1488 CG LYS A 93 0.491 -20.825 3.304 1.00 0.00 C ATOM 1489 CD LYS A 93 1.988 -21.061 3.436 1.00 0.00 C ATOM 1490 CE LYS A 93 2.773 -19.819 3.044 1.00 0.00 C ATOM 1491 NZ LYS A 93 4.237 -20.073 2.997 1.00 0.00 N ATOM 0 H LYS A 93 -0.728 -18.666 3.383 1.00 0.00 H new ATOM 0 HA LYS A 93 -1.323 -19.559 0.641 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.034 -21.497 1.326 1.00 0.00 H new ATOM 0 HB3 LYS A 93 0.896 -19.972 1.385 1.00 0.00 H new ATOM 0 HG2 LYS A 93 0.197 -19.982 3.930 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.051 -21.698 3.669 1.00 0.00 H new ATOM 0 HD2 LYS A 93 2.227 -21.337 4.463 1.00 0.00 H new ATOM 0 HD3 LYS A 93 2.285 -21.898 2.804 1.00 0.00 H new ATOM 0 HE2 LYS A 93 2.435 -19.470 2.068 1.00 0.00 H new ATOM 0 HE3 LYS A 93 2.567 -19.021 3.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.732 -19.200 2.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 4.566 -20.381 3.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 4.438 -20.816 2.298 1.00 0.00 H new ATOM 1505 N ASN A 94 -3.163 -20.045 2.989 1.00 0.00 N ATOM 1506 CA ASN A 94 -4.411 -20.610 3.471 1.00 0.00 C ATOM 1507 C ASN A 94 -5.557 -20.070 2.620 1.00 0.00 C ATOM 1508 O ASN A 94 -6.729 -20.321 2.890 1.00 0.00 O ATOM 1509 CB ASN A 94 -4.618 -20.245 4.948 1.00 0.00 C ATOM 1510 CG ASN A 94 -5.780 -20.985 5.594 1.00 0.00 C ATOM 1511 OD1 ASN A 94 -5.986 -22.233 5.204 1.00 0.00 O flip ATOM 1512 ND2 ASN A 94 -6.471 -20.444 6.456 1.00 0.00 N flip ATOM 0 H ASN A 94 -2.948 -19.131 3.387 1.00 0.00 H new ATOM 0 HA ASN A 94 -4.382 -21.697 3.391 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -3.704 -20.464 5.501 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -4.790 -19.172 5.029 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -6.282 -19.480 6.731 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -7.233 -20.959 6.896 1.00 0.00 H new ATOM 1519 N ALA A 95 -5.194 -19.317 1.579 1.00 0.00 N ATOM 1520 CA ALA A 95 -6.169 -18.752 0.651 1.00 0.00 C ATOM 1521 C ALA A 95 -6.935 -19.863 -0.057 1.00 0.00 C ATOM 1522 O ALA A 95 -8.103 -19.701 -0.410 1.00 0.00 O ATOM 1523 CB ALA A 95 -5.481 -17.853 -0.367 1.00 0.00 C ATOM 0 H ALA A 95 -4.225 -19.085 1.359 1.00 0.00 H new ATOM 0 HA ALA A 95 -6.876 -18.150 1.221 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -6.224 -17.441 -1.050 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -4.974 -17.039 0.151 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.752 -18.434 -0.932 1.00 0.00 H new ATOM 1529 N ASP A 96 -6.263 -20.989 -0.262 1.00 0.00 N ATOM 1530 CA ASP A 96 -6.906 -22.165 -0.825 1.00 0.00 C ATOM 1531 C ASP A 96 -7.067 -23.230 0.244 1.00 0.00 C ATOM 1532 O ASP A 96 -6.387 -23.211 1.271 1.00 0.00 O ATOM 1533 CB ASP A 96 -6.110 -22.727 -2.008 1.00 0.00 C ATOM 1534 CG ASP A 96 -6.738 -23.971 -2.615 1.00 0.00 C ATOM 1535 OD1 ASP A 96 -7.663 -23.833 -3.437 1.00 0.00 O ATOM 1536 OD2 ASP A 96 -6.316 -25.095 -2.262 1.00 0.00 O ATOM 0 H ASP A 96 -5.274 -21.111 -0.046 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.888 -21.867 -1.192 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -6.024 -21.959 -2.777 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -5.098 -22.963 -1.678 1.00 0.00 H new ATOM 1541 N SER A 97 -7.957 -24.153 -0.023 1.00 0.00 N ATOM 1542 CA SER A 97 -8.271 -25.228 0.901 1.00 0.00 C ATOM 1543 C SER A 97 -9.052 -26.301 0.151 1.00 0.00 C ATOM 1544 O SER A 97 -9.833 -27.058 0.736 1.00 0.00 O ATOM 1545 CB SER A 97 -9.083 -24.686 2.090 1.00 0.00 C ATOM 1546 OG SER A 97 -9.279 -25.676 3.090 1.00 0.00 O ATOM 0 H SER A 97 -8.491 -24.185 -0.892 1.00 0.00 H new ATOM 0 HA SER A 97 -7.353 -25.661 1.297 1.00 0.00 H new ATOM 0 HB2 SER A 97 -8.566 -23.829 2.523 1.00 0.00 H new ATOM 0 HB3 SER A 97 -10.051 -24.329 1.737 1.00 0.00 H new ATOM 0 HG SER A 97 -9.543 -26.520 2.668 1.00 0.00 H new ATOM 1552 N LEU A 98 -8.810 -26.374 -1.153 1.00 0.00 N ATOM 1553 CA LEU A 98 -9.563 -27.264 -2.021 1.00 0.00 C ATOM 1554 C LEU A 98 -8.817 -28.566 -2.248 1.00 0.00 C ATOM 1555 O LEU A 98 -9.169 -29.361 -3.118 1.00 0.00 O ATOM 1556 CB LEU A 98 -9.861 -26.574 -3.354 1.00 0.00 C ATOM 1557 CG LEU A 98 -10.782 -25.353 -3.262 1.00 0.00 C ATOM 1558 CD1 LEU A 98 -11.007 -24.748 -4.640 1.00 0.00 C ATOM 1559 CD2 LEU A 98 -12.110 -25.735 -2.623 1.00 0.00 C ATOM 0 H LEU A 98 -8.096 -25.825 -1.631 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.507 -27.502 -1.531 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.918 -26.265 -3.804 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.313 -27.301 -4.029 1.00 0.00 H new ATOM 0 HG LEU A 98 -10.300 -24.604 -2.634 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -11.663 -23.882 -4.554 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -10.051 -24.438 -5.062 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.468 -25.490 -5.292 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -12.752 -24.856 -2.565 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -12.597 -26.501 -3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -11.933 -26.121 -1.619 1.00 0.00 H new ATOM 1571 N GLU A 99 -7.800 -28.776 -1.441 1.00 0.00 N ATOM 1572 CA GLU A 99 -7.041 -30.014 -1.474 1.00 0.00 C ATOM 1573 C GLU A 99 -7.653 -30.995 -0.485 1.00 0.00 C ATOM 1574 O GLU A 99 -8.246 -32.001 -0.875 1.00 0.00 O ATOM 1575 CB GLU A 99 -5.562 -29.741 -1.159 1.00 0.00 C ATOM 1576 CG GLU A 99 -4.656 -30.971 -1.201 1.00 0.00 C ATOM 1577 CD GLU A 99 -4.640 -31.741 0.107 1.00 0.00 C ATOM 1578 OE1 GLU A 99 -4.117 -31.205 1.106 1.00 0.00 O ATOM 1579 OE2 GLU A 99 -5.161 -32.878 0.146 1.00 0.00 O ATOM 0 H GLU A 99 -7.475 -28.102 -0.748 1.00 0.00 H new ATOM 0 HA GLU A 99 -7.084 -30.452 -2.471 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.184 -29.006 -1.869 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -5.494 -29.292 -0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -4.987 -31.632 -2.001 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.640 -30.659 -1.445 1.00 0.00 H new ATOM 1586 N HIS A 100 -7.537 -30.685 0.797 1.00 0.00 N ATOM 1587 CA HIS A 100 -8.127 -31.518 1.824 1.00 0.00 C ATOM 1588 C HIS A 100 -9.536 -31.038 2.133 1.00 0.00 C ATOM 1589 O HIS A 100 -9.748 -30.217 3.029 1.00 0.00 O ATOM 1590 CB HIS A 100 -7.271 -31.519 3.091 1.00 0.00 C ATOM 1591 CG HIS A 100 -7.828 -32.379 4.183 1.00 0.00 C ATOM 1592 ND1 HIS A 100 -8.389 -31.866 5.330 1.00 0.00 N ATOM 1593 CD2 HIS A 100 -7.911 -33.723 4.296 1.00 0.00 C ATOM 1594 CE1 HIS A 100 -8.792 -32.856 6.102 1.00 0.00 C ATOM 1595 NE2 HIS A 100 -8.516 -33.991 5.496 1.00 0.00 N ATOM 0 H HIS A 100 -7.041 -29.865 1.147 1.00 0.00 H new ATOM 0 HA HIS A 100 -8.174 -32.542 1.453 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -6.267 -31.864 2.843 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -7.175 -30.497 3.457 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -7.565 -34.450 3.576 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -9.267 -32.753 7.066 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -8.720 -34.921 5.861 1.00 0.00 H new ATOM 1604 N HIS A 101 -10.485 -31.519 1.347 1.00 0.00 N ATOM 1605 CA HIS A 101 -11.893 -31.223 1.566 1.00 0.00 C ATOM 1606 C HIS A 101 -12.335 -31.727 2.939 1.00 0.00 C ATOM 1607 O HIS A 101 -12.174 -32.904 3.264 1.00 0.00 O ATOM 1608 CB HIS A 101 -12.761 -31.835 0.449 1.00 0.00 C ATOM 1609 CG HIS A 101 -12.684 -33.335 0.339 1.00 0.00 C ATOM 1610 ND1 HIS A 101 -11.622 -34.176 0.362 1.00 0.00 N flip ATOM 1611 CD2 HIS A 101 -13.793 -34.136 0.167 1.00 0.00 C flip ATOM 1612 CE1 HIS A 101 -12.104 -35.448 0.211 1.00 0.00 C flip ATOM 1613 NE2 HIS A 101 -13.417 -35.400 0.095 1.00 0.00 N flip ATOM 0 H HIS A 101 -10.304 -32.122 0.544 1.00 0.00 H new ATOM 0 HA HIS A 101 -12.027 -30.142 1.539 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -13.799 -31.550 0.618 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -12.462 -31.399 -0.504 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -14.812 -33.784 0.101 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -11.505 -36.347 0.190 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -14.036 -36.201 -0.029 1.00 0.00 H new ATOM 1622 N HIS A 102 -12.867 -30.827 3.745 1.00 0.00 N ATOM 1623 CA HIS A 102 -13.286 -31.173 5.096 1.00 0.00 C ATOM 1624 C HIS A 102 -14.720 -30.724 5.342 1.00 0.00 C ATOM 1625 O HIS A 102 -15.220 -29.832 4.660 1.00 0.00 O ATOM 1626 CB HIS A 102 -12.337 -30.552 6.135 1.00 0.00 C ATOM 1627 CG HIS A 102 -12.261 -29.051 6.097 1.00 0.00 C ATOM 1628 ND1 HIS A 102 -11.140 -28.362 5.685 1.00 0.00 N ATOM 1629 CD2 HIS A 102 -13.169 -28.108 6.441 1.00 0.00 C ATOM 1630 CE1 HIS A 102 -11.367 -27.064 5.776 1.00 0.00 C ATOM 1631 NE2 HIS A 102 -12.591 -26.883 6.234 1.00 0.00 N ATOM 0 H HIS A 102 -13.020 -29.851 3.491 1.00 0.00 H new ATOM 0 HA HIS A 102 -13.243 -32.257 5.201 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -12.657 -30.861 7.130 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -11.337 -30.957 5.982 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -14.167 -28.288 6.811 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -10.668 -26.282 5.519 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -13.034 -25.980 6.406 1.00 0.00 H new ATOM 1640 N HIS A 103 -15.375 -31.341 6.317 1.00 0.00 N ATOM 1641 CA HIS A 103 -16.762 -31.012 6.633 1.00 0.00 C ATOM 1642 C HIS A 103 -16.846 -29.951 7.724 1.00 0.00 C ATOM 1643 O HIS A 103 -17.743 -29.111 7.715 1.00 0.00 O ATOM 1644 CB HIS A 103 -17.531 -32.260 7.085 1.00 0.00 C ATOM 1645 CG HIS A 103 -17.764 -33.265 6.002 1.00 0.00 C ATOM 1646 ND1 HIS A 103 -18.964 -33.387 5.338 1.00 0.00 N ATOM 1647 CD2 HIS A 103 -16.948 -34.209 5.475 1.00 0.00 C ATOM 1648 CE1 HIS A 103 -18.876 -34.361 4.451 1.00 0.00 C ATOM 1649 NE2 HIS A 103 -17.663 -34.875 4.514 1.00 0.00 N ATOM 0 H HIS A 103 -14.970 -32.071 6.903 1.00 0.00 H new ATOM 0 HA HIS A 103 -17.213 -30.619 5.722 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -16.981 -32.738 7.896 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -18.494 -31.952 7.492 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -15.924 -34.401 5.759 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -19.664 -34.682 3.786 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -17.314 -35.643 3.941 1.00 0.00 H new ATOM 1658 N HIS A 104 -15.908 -29.988 8.662 1.00 0.00 N ATOM 1659 CA HIS A 104 -15.974 -29.115 9.830 1.00 0.00 C ATOM 1660 C HIS A 104 -14.951 -27.989 9.771 1.00 0.00 C ATOM 1661 O HIS A 104 -13.746 -28.236 9.735 1.00 0.00 O ATOM 1662 CB HIS A 104 -15.786 -29.921 11.120 1.00 0.00 C ATOM 1663 CG HIS A 104 -17.013 -30.663 11.552 1.00 0.00 C ATOM 1664 ND1 HIS A 104 -17.838 -30.222 12.561 1.00 0.00 N ATOM 1665 CD2 HIS A 104 -17.556 -31.819 11.106 1.00 0.00 C ATOM 1666 CE1 HIS A 104 -18.833 -31.072 12.721 1.00 0.00 C ATOM 1667 NE2 HIS A 104 -18.687 -32.051 11.850 1.00 0.00 N ATOM 0 H HIS A 104 -15.098 -30.607 8.639 1.00 0.00 H new ATOM 0 HA HIS A 104 -16.965 -28.661 9.827 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -14.973 -30.633 10.977 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -15.481 -29.245 11.919 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -17.172 -32.443 10.313 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -19.632 -30.982 13.443 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -19.312 -32.850 11.746 1.00 0.00 H new ATOM 1676 N HIS A 105 -15.469 -26.761 9.745 1.00 0.00 N ATOM 1677 CA HIS A 105 -14.675 -25.536 9.877 1.00 0.00 C ATOM 1678 C HIS A 105 -13.544 -25.461 8.850 1.00 0.00 C ATOM 1679 O HIS A 105 -13.799 -25.032 7.706 1.00 0.00 O ATOM 1680 CB HIS A 105 -14.103 -25.428 11.293 1.00 0.00 C ATOM 1681 CG HIS A 105 -13.685 -24.040 11.663 1.00 0.00 C ATOM 1682 ND1 HIS A 105 -12.469 -23.499 11.320 1.00 0.00 N ATOM 1683 CD2 HIS A 105 -14.343 -23.077 12.348 1.00 0.00 C ATOM 1684 CE1 HIS A 105 -12.397 -22.262 11.774 1.00 0.00 C ATOM 1685 NE2 HIS A 105 -13.522 -21.982 12.404 1.00 0.00 N ATOM 1686 OXT HIS A 105 -12.397 -25.809 9.193 1.00 0.00 O ATOM 0 H HIS A 105 -16.467 -26.585 9.630 1.00 0.00 H new ATOM 0 HA HIS A 105 -15.344 -24.697 9.686 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -14.850 -25.776 12.006 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -13.244 -26.093 11.381 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -15.333 -23.157 12.772 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -11.559 -21.592 11.651 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -13.744 -21.096 12.858 1.00 0.00 H new TER 1695 HIS A 105