USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 513 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 19 ASN : amide:sc= -2.04 X(o=-2,f=-1.8!) USER MOD Set 1.2: A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 10 MET CE :methyl -165:sc= -0.589 (180deg=-0.93) USER MOD Set 2.2: A 11 ASN : amide:sc= -3.56! C(o=-4.2!,f=-5.3!) USER MOD Set 2.3: A 15 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 1 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ -154:sc= -0.0229 (180deg=-0.2) USER MOD Single : A 4 HIS : no HD1:sc= -0.396 X(o=-0.4,f=-0.14) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN :FLIP amide:sc= -1.07 F(o=-1.9!,f=-1.1) USER MOD Single : A 21 TYR OH : rot 30:sc= -2.98! USER MOD Single : A 23 TYR OH : rot 120:sc= -1.13 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc=-0.00849 X(o=-0.0085,f=-0.089) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.0462 X(o=-0.046,f=-0.42) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0312) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 CYS SG : rot 100:sc= -2.27! USER MOD Single : A 46 THR OG1 : rot -140:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0.0969 USER MOD Single : A 49 GLN : amide:sc= -0.457 X(o=-0.46,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= -0.59 USER MOD Single : A 52 ASN : amide:sc= -0.119 K(o=-0.12,f=-1.2) USER MOD Single : A 56 ASN :FLIP amide:sc= -0.126 F(o=-1.3,f=-0.13) USER MOD Single : A 61 TYR OH : rot 30:sc= -3.61! USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 165:sc= -0.223 (180deg=-0.601) USER MOD Single : A 64 ASN : amide:sc= -0.0016 X(o=-0.0016,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 14.472 5.217 -26.562 1.00 15.00 N ATOM 2 CA SER A 1 15.606 5.800 -25.800 1.00 15.00 C ATOM 3 C SER A 1 15.200 6.121 -24.365 1.00 15.00 C ATOM 4 O SER A 1 16.023 6.073 -23.451 1.00 15.00 O ATOM 5 CB SER A 1 16.070 7.071 -26.512 1.00 15.00 C ATOM 6 OG SER A 1 15.033 8.036 -26.562 1.00 15.00 O ATOM 0 H1 SER A 1 14.840 4.622 -27.331 1.00 15.00 H new ATOM 0 H2 SER A 1 13.888 4.638 -25.926 1.00 15.00 H new ATOM 0 H3 SER A 1 13.893 5.982 -26.963 1.00 15.00 H new ATOM 0 HA SER A 1 16.418 5.074 -25.758 1.00 15.00 H new ATOM 0 HB2 SER A 1 16.934 7.487 -25.993 1.00 15.00 H new ATOM 0 HB3 SER A 1 16.393 6.827 -27.524 1.00 15.00 H new ATOM 0 HG SER A 1 15.356 8.840 -27.021 1.00 15.00 H new ATOM 14 N SER A 2 13.926 6.445 -24.175 1.00 15.00 N ATOM 15 CA SER A 2 13.410 6.773 -22.851 1.00 15.00 C ATOM 16 C SER A 2 12.941 5.517 -22.123 1.00 15.00 C ATOM 17 O SER A 2 12.411 4.592 -22.738 1.00 15.00 O ATOM 18 CB SER A 2 12.255 7.770 -22.963 1.00 15.00 C ATOM 19 OG SER A 2 12.426 8.624 -24.081 1.00 15.00 O ATOM 0 H SER A 2 13.231 6.488 -24.921 1.00 15.00 H new ATOM 0 HA SER A 2 14.218 7.225 -22.276 1.00 15.00 H new ATOM 0 HB2 SER A 2 11.312 7.231 -23.054 1.00 15.00 H new ATOM 0 HB3 SER A 2 12.195 8.366 -22.052 1.00 15.00 H new ATOM 0 HG SER A 2 11.674 9.251 -24.132 1.00 15.00 H new ATOM 25 N GLY A 3 13.143 5.491 -20.810 1.00 15.00 N ATOM 26 CA GLY A 3 12.736 4.343 -20.020 1.00 15.00 C ATOM 27 C GLY A 3 11.644 4.682 -19.024 1.00 15.00 C ATOM 28 O GLY A 3 10.509 4.227 -19.158 1.00 15.00 O ATOM 0 H GLY A 3 13.581 6.244 -20.279 1.00 15.00 H new ATOM 0 HA2 GLY A 3 12.385 3.554 -20.685 1.00 15.00 H new ATOM 0 HA3 GLY A 3 13.601 3.948 -19.486 1.00 15.00 H new ATOM 32 N HIS A 4 11.989 5.482 -18.020 1.00 15.00 N ATOM 33 CA HIS A 4 11.031 5.882 -16.996 1.00 15.00 C ATOM 34 C HIS A 4 11.497 7.147 -16.281 1.00 15.00 C ATOM 35 O HIS A 4 12.107 7.079 -15.215 1.00 15.00 O ATOM 36 CB HIS A 4 10.835 4.752 -15.984 1.00 15.00 C ATOM 37 CG HIS A 4 9.434 4.649 -15.464 1.00 15.00 C ATOM 38 ND1 HIS A 4 9.062 3.767 -14.471 1.00 15.00 N ATOM 39 CD2 HIS A 4 8.311 5.325 -15.804 1.00 15.00 C ATOM 40 CE1 HIS A 4 7.772 3.904 -14.225 1.00 15.00 C ATOM 41 NE2 HIS A 4 7.293 4.843 -15.019 1.00 15.00 N ATOM 0 H HIS A 4 12.925 5.866 -17.894 1.00 15.00 H new ATOM 0 HA HIS A 4 10.079 6.092 -17.484 1.00 15.00 H new ATOM 0 HB2 HIS A 4 11.111 3.806 -16.450 1.00 15.00 H new ATOM 0 HB3 HIS A 4 11.515 4.904 -15.146 1.00 15.00 H new ATOM 0 HD2 HIS A 4 8.231 6.099 -16.553 1.00 15.00 H new ATOM 0 HE1 HIS A 4 7.205 3.343 -13.497 1.00 15.00 H new ATOM 0 HE2 HIS A 4 6.324 5.159 -15.045 1.00 15.00 H new ATOM 50 N ILE A 5 11.206 8.298 -16.877 1.00 15.00 N ATOM 51 CA ILE A 5 11.597 9.577 -16.298 1.00 15.00 C ATOM 52 C ILE A 5 10.663 10.696 -16.750 1.00 15.00 C ATOM 53 O ILE A 5 10.553 10.982 -17.942 1.00 15.00 O ATOM 54 CB ILE A 5 13.047 9.944 -16.677 1.00 15.00 C ATOM 55 CG1 ILE A 5 13.474 11.236 -15.974 1.00 15.00 C ATOM 56 CG2 ILE A 5 13.182 10.084 -18.186 1.00 15.00 C ATOM 57 CD1 ILE A 5 14.805 11.125 -15.263 1.00 15.00 C ATOM 0 H ILE A 5 10.701 8.371 -17.760 1.00 15.00 H new ATOM 0 HA ILE A 5 11.529 9.469 -15.216 1.00 15.00 H new ATOM 0 HB ILE A 5 13.706 9.141 -16.346 1.00 15.00 H new ATOM 0 HG12 ILE A 5 13.530 12.039 -16.709 1.00 15.00 H new ATOM 0 HG13 ILE A 5 12.708 11.518 -15.252 1.00 15.00 H new ATOM 0 HG21 ILE A 5 14.211 10.343 -18.437 1.00 15.00 H new ATOM 0 HG22 ILE A 5 12.919 9.140 -18.664 1.00 15.00 H new ATOM 0 HG23 ILE A 5 12.514 10.869 -18.540 1.00 15.00 H new ATOM 0 HD11 ILE A 5 15.044 12.076 -14.788 1.00 15.00 H new ATOM 0 HD12 ILE A 5 14.748 10.345 -14.504 1.00 15.00 H new ATOM 0 HD13 ILE A 5 15.583 10.874 -15.984 1.00 15.00 H new ATOM 69 N GLU A 6 9.992 11.324 -15.790 1.00 15.00 N ATOM 70 CA GLU A 6 9.068 12.413 -16.089 1.00 15.00 C ATOM 71 C GLU A 6 8.891 13.321 -14.876 1.00 15.00 C ATOM 72 O GLU A 6 7.827 13.906 -14.674 1.00 15.00 O ATOM 73 CB GLU A 6 7.711 11.853 -16.526 1.00 15.00 C ATOM 74 CG GLU A 6 7.533 11.802 -18.034 1.00 15.00 C ATOM 75 CD GLU A 6 6.958 13.087 -18.597 1.00 15.00 C ATOM 76 OE1 GLU A 6 7.549 14.160 -18.349 1.00 15.00 O ATOM 77 OE2 GLU A 6 5.918 13.022 -19.284 1.00 15.00 O ATOM 0 H GLU A 6 10.070 11.098 -14.798 1.00 15.00 H new ATOM 0 HA GLU A 6 9.488 13.002 -16.904 1.00 15.00 H new ATOM 0 HB2 GLU A 6 7.594 10.848 -16.120 1.00 15.00 H new ATOM 0 HB3 GLU A 6 6.919 12.465 -16.095 1.00 15.00 H new ATOM 0 HG2 GLU A 6 8.496 11.603 -18.503 1.00 15.00 H new ATOM 0 HG3 GLU A 6 6.876 10.971 -18.291 1.00 15.00 H new ATOM 84 N GLY A 7 9.942 13.435 -14.072 1.00 15.00 N ATOM 85 CA GLY A 7 9.885 14.273 -12.888 1.00 15.00 C ATOM 86 C GLY A 7 9.405 13.520 -11.663 1.00 15.00 C ATOM 87 O GLY A 7 8.972 14.128 -10.684 1.00 15.00 O ATOM 0 H GLY A 7 10.834 12.962 -14.219 1.00 15.00 H new ATOM 0 HA2 GLY A 7 10.875 14.686 -12.692 1.00 15.00 H new ATOM 0 HA3 GLY A 7 9.220 15.116 -13.076 1.00 15.00 H new ATOM 91 N ARG A 8 9.487 12.192 -11.713 1.00 15.00 N ATOM 92 CA ARG A 8 9.059 11.352 -10.597 1.00 15.00 C ATOM 93 C ARG A 8 9.732 9.986 -10.667 1.00 15.00 C ATOM 94 O ARG A 8 9.888 9.414 -11.746 1.00 15.00 O ATOM 95 CB ARG A 8 7.533 11.173 -10.594 1.00 15.00 C ATOM 96 CG ARG A 8 6.772 12.263 -11.333 1.00 15.00 C ATOM 97 CD ARG A 8 5.269 12.054 -11.241 1.00 15.00 C ATOM 98 NE ARG A 8 4.535 13.314 -11.330 1.00 15.00 N ATOM 99 CZ ARG A 8 3.293 13.483 -10.885 1.00 15.00 C ATOM 100 NH1 ARG A 8 2.639 12.474 -10.322 1.00 15.00 N ATOM 101 NH2 ARG A 8 2.702 14.664 -11.004 1.00 15.00 N ATOM 0 H ARG A 8 9.846 11.674 -12.515 1.00 15.00 H new ATOM 0 HA ARG A 8 9.354 11.852 -9.674 1.00 15.00 H new ATOM 0 HB2 ARG A 8 7.291 10.210 -11.043 1.00 15.00 H new ATOM 0 HB3 ARG A 8 7.185 11.140 -9.562 1.00 15.00 H new ATOM 0 HG2 ARG A 8 7.031 13.236 -10.916 1.00 15.00 H new ATOM 0 HG3 ARG A 8 7.075 12.274 -12.380 1.00 15.00 H new ATOM 0 HD2 ARG A 8 4.946 11.389 -12.042 1.00 15.00 H new ATOM 0 HD3 ARG A 8 5.029 11.560 -10.300 1.00 15.00 H new ATOM 0 HE ARG A 8 5.003 14.112 -11.759 1.00 15.00 H new ATOM 0 HH11 ARG A 8 3.089 11.563 -10.229 1.00 15.00 H new ATOM 0 HH12 ARG A 8 1.687 12.610 -9.983 1.00 15.00 H new ATOM 0 HH21 ARG A 8 3.200 15.442 -11.437 1.00 15.00 H new ATOM 0 HH22 ARG A 8 1.750 14.794 -10.663 1.00 15.00 H new ATOM 115 N HIS A 9 10.137 9.472 -9.510 1.00 15.00 N ATOM 116 CA HIS A 9 10.800 8.175 -9.438 1.00 15.00 C ATOM 117 C HIS A 9 9.791 7.030 -9.450 1.00 15.00 C ATOM 118 O HIS A 9 10.155 5.882 -9.710 1.00 15.00 O ATOM 119 CB HIS A 9 11.666 8.093 -8.180 1.00 15.00 C ATOM 120 CG HIS A 9 12.997 7.450 -8.412 1.00 15.00 C ATOM 121 ND1 HIS A 9 14.155 8.169 -8.622 1.00 15.00 N ATOM 122 CD2 HIS A 9 13.354 6.144 -8.466 1.00 15.00 C ATOM 123 CE1 HIS A 9 15.164 7.335 -8.797 1.00 15.00 C ATOM 124 NE2 HIS A 9 14.705 6.101 -8.706 1.00 15.00 N ATOM 0 H HIS A 9 10.017 9.934 -8.609 1.00 15.00 H new ATOM 0 HA HIS A 9 11.433 8.077 -10.320 1.00 15.00 H new ATOM 0 HB2 HIS A 9 11.821 9.099 -7.789 1.00 15.00 H new ATOM 0 HB3 HIS A 9 11.129 7.532 -7.415 1.00 15.00 H new ATOM 0 HD2 HIS A 9 12.698 5.295 -8.343 1.00 15.00 H new ATOM 0 HE1 HIS A 9 16.190 7.615 -8.983 1.00 15.00 H new ATOM 0 HE2 HIS A 9 15.264 5.253 -8.799 1.00 15.00 H new ATOM 133 N MET A 10 8.528 7.342 -9.149 1.00 15.00 N ATOM 134 CA MET A 10 7.466 6.342 -9.107 1.00 15.00 C ATOM 135 C MET A 10 7.462 5.664 -7.753 1.00 15.00 C ATOM 136 O MET A 10 8.340 5.909 -6.926 1.00 15.00 O ATOM 137 CB MET A 10 7.620 5.305 -10.228 1.00 15.00 C ATOM 138 CG MET A 10 6.338 5.057 -11.006 1.00 15.00 C ATOM 139 SD MET A 10 5.552 3.492 -10.575 1.00 15.00 S ATOM 140 CE MET A 10 3.843 3.852 -10.973 1.00 15.00 C ATOM 0 H MET A 10 8.217 8.288 -8.930 1.00 15.00 H new ATOM 0 HA MET A 10 6.513 6.848 -9.263 1.00 15.00 H new ATOM 0 HB2 MET A 10 8.395 5.640 -10.918 1.00 15.00 H new ATOM 0 HB3 MET A 10 7.962 4.364 -9.797 1.00 15.00 H new ATOM 0 HG2 MET A 10 5.640 5.873 -10.818 1.00 15.00 H new ATOM 0 HG3 MET A 10 6.558 5.066 -12.073 1.00 15.00 H new ATOM 0 HE1 MET A 10 3.198 3.098 -10.522 1.00 15.00 H new ATOM 0 HE2 MET A 10 3.578 4.835 -10.584 1.00 15.00 H new ATOM 0 HE3 MET A 10 3.711 3.842 -12.055 1.00 15.00 H new ATOM 150 N ASN A 11 6.470 4.828 -7.516 1.00 15.00 N ATOM 151 CA ASN A 11 6.367 4.143 -6.244 1.00 15.00 C ATOM 152 C ASN A 11 7.146 2.834 -6.262 1.00 15.00 C ATOM 153 O ASN A 11 7.200 2.143 -7.279 1.00 15.00 O ATOM 154 CB ASN A 11 4.905 3.880 -5.891 1.00 15.00 C ATOM 155 CG ASN A 11 4.034 3.672 -7.117 1.00 15.00 C ATOM 156 OD1 ASN A 11 3.193 4.510 -7.446 1.00 15.00 O ATOM 157 ND2 ASN A 11 4.232 2.549 -7.798 1.00 15.00 N ATOM 0 H ASN A 11 5.730 4.608 -8.182 1.00 15.00 H new ATOM 0 HA ASN A 11 6.801 4.790 -5.481 1.00 15.00 H new ATOM 0 HB2 ASN A 11 4.843 2.999 -5.252 1.00 15.00 H new ATOM 0 HB3 ASN A 11 4.518 4.720 -5.314 1.00 15.00 H new ATOM 0 HD21 ASN A 11 3.676 2.353 -8.630 1.00 15.00 H new ATOM 0 HD22 ASN A 11 4.940 1.883 -7.489 1.00 15.00 H new ATOM 164 N LYS A 12 7.755 2.506 -5.129 1.00 15.00 N ATOM 165 CA LYS A 12 8.543 1.287 -5.005 1.00 15.00 C ATOM 166 C LYS A 12 7.668 0.036 -5.085 1.00 15.00 C ATOM 167 O LYS A 12 7.565 -0.593 -6.138 1.00 15.00 O ATOM 168 CB LYS A 12 9.324 1.295 -3.689 1.00 15.00 C ATOM 169 CG LYS A 12 10.676 1.981 -3.787 1.00 15.00 C ATOM 170 CD LYS A 12 11.559 1.641 -2.597 1.00 15.00 C ATOM 171 CE LYS A 12 11.020 2.245 -1.311 1.00 15.00 C ATOM 172 NZ LYS A 12 10.995 1.253 -0.200 1.00 15.00 N ATOM 0 H LYS A 12 7.718 3.070 -4.280 1.00 15.00 H new ATOM 0 HA LYS A 12 9.241 1.260 -5.842 1.00 15.00 H new ATOM 0 HB2 LYS A 12 8.727 1.794 -2.925 1.00 15.00 H new ATOM 0 HB3 LYS A 12 9.471 0.267 -3.357 1.00 15.00 H new ATOM 0 HG2 LYS A 12 11.173 1.679 -4.709 1.00 15.00 H new ATOM 0 HG3 LYS A 12 10.535 3.060 -3.840 1.00 15.00 H new ATOM 0 HD2 LYS A 12 11.627 0.558 -2.491 1.00 15.00 H new ATOM 0 HD3 LYS A 12 12.570 2.008 -2.776 1.00 15.00 H new ATOM 0 HE2 LYS A 12 11.636 3.097 -1.024 1.00 15.00 H new ATOM 0 HE3 LYS A 12 10.012 2.624 -1.482 1.00 15.00 H new ATOM 0 HZ1 LYS A 12 10.621 1.704 0.659 1.00 15.00 H new ATOM 0 HZ2 LYS A 12 10.387 0.452 -0.464 1.00 15.00 H new ATOM 0 HZ3 LYS A 12 11.960 0.910 -0.019 1.00 15.00 H new ATOM 186 N GLN A 13 7.060 -0.334 -3.960 1.00 15.00 N ATOM 187 CA GLN A 13 6.221 -1.524 -3.898 1.00 15.00 C ATOM 188 C GLN A 13 4.789 -1.258 -4.370 1.00 15.00 C ATOM 189 O GLN A 13 4.092 -2.183 -4.784 1.00 15.00 O ATOM 190 CB GLN A 13 6.243 -2.101 -2.482 1.00 15.00 C ATOM 191 CG GLN A 13 4.954 -1.901 -1.723 1.00 15.00 C ATOM 192 CD GLN A 13 4.125 -3.166 -1.632 1.00 15.00 C ATOM 193 OE1 GLN A 13 4.000 -3.872 -2.751 1.00 15.00 O flip ATOM 194 NE2 GLN A 13 3.603 -3.506 -0.571 1.00 15.00 N flip ATOM 0 H GLN A 13 7.134 0.175 -3.079 1.00 15.00 H new ATOM 0 HA GLN A 13 6.635 -2.259 -4.588 1.00 15.00 H new ATOM 0 HB2 GLN A 13 6.459 -3.168 -2.538 1.00 15.00 H new ATOM 0 HB3 GLN A 13 7.058 -1.639 -1.924 1.00 15.00 H new ATOM 0 HG2 GLN A 13 5.181 -1.547 -0.717 1.00 15.00 H new ATOM 0 HG3 GLN A 13 4.368 -1.122 -2.210 1.00 15.00 H new ATOM 0 HE21 GLN A 13 3.725 -2.933 0.264 1.00 15.00 H new ATOM 0 HE22 GLN A 13 3.048 -4.361 -0.527 1.00 15.00 H new ATOM 203 N ALA A 14 4.346 -0.005 -4.295 1.00 15.00 N ATOM 204 CA ALA A 14 2.987 0.349 -4.709 1.00 15.00 C ATOM 205 C ALA A 14 2.619 -0.318 -6.032 1.00 15.00 C ATOM 206 O ALA A 14 1.510 -0.817 -6.198 1.00 15.00 O ATOM 207 CB ALA A 14 2.843 1.858 -4.825 1.00 15.00 C ATOM 0 H ALA A 14 4.903 0.779 -3.954 1.00 15.00 H new ATOM 0 HA ALA A 14 2.301 -0.015 -3.944 1.00 15.00 H new ATOM 0 HB1 ALA A 14 1.827 2.104 -5.134 1.00 15.00 H new ATOM 0 HB2 ALA A 14 3.050 2.319 -3.859 1.00 15.00 H new ATOM 0 HB3 ALA A 14 3.548 2.235 -5.566 1.00 15.00 H new ATOM 213 N THR A 15 3.561 -0.335 -6.965 1.00 15.00 N ATOM 214 CA THR A 15 3.336 -0.957 -8.267 1.00 15.00 C ATOM 215 C THR A 15 2.795 -2.372 -8.092 1.00 15.00 C ATOM 216 O THR A 15 2.003 -2.849 -8.904 1.00 15.00 O ATOM 217 CB THR A 15 4.649 -0.980 -9.056 1.00 15.00 C ATOM 218 OG1 THR A 15 4.726 0.126 -9.937 1.00 15.00 O ATOM 219 CG2 THR A 15 4.854 -2.236 -9.880 1.00 15.00 C ATOM 0 H THR A 15 4.488 0.074 -6.847 1.00 15.00 H new ATOM 0 HA THR A 15 2.598 -0.376 -8.819 1.00 15.00 H new ATOM 0 HB THR A 15 5.429 -0.942 -8.296 1.00 15.00 H new ATOM 0 HG1 THR A 15 5.572 0.093 -10.430 1.00 15.00 H new ATOM 0 HG21 THR A 15 5.806 -2.174 -10.408 1.00 15.00 H new ATOM 0 HG22 THR A 15 4.860 -3.105 -9.223 1.00 15.00 H new ATOM 0 HG23 THR A 15 4.044 -2.333 -10.603 1.00 15.00 H new ATOM 227 N GLU A 16 3.212 -3.024 -7.015 1.00 15.00 N ATOM 228 CA GLU A 16 2.750 -4.375 -6.716 1.00 15.00 C ATOM 229 C GLU A 16 1.361 -4.291 -6.116 1.00 15.00 C ATOM 230 O GLU A 16 0.505 -5.143 -6.352 1.00 15.00 O ATOM 231 CB GLU A 16 3.706 -5.081 -5.752 1.00 15.00 C ATOM 232 CG GLU A 16 5.171 -4.744 -5.981 1.00 15.00 C ATOM 233 CD GLU A 16 6.049 -5.977 -6.060 1.00 15.00 C ATOM 234 OE1 GLU A 16 5.912 -6.741 -7.039 1.00 15.00 O ATOM 235 OE2 GLU A 16 6.872 -6.179 -5.144 1.00 15.00 O ATOM 0 H GLU A 16 3.868 -2.641 -6.334 1.00 15.00 H new ATOM 0 HA GLU A 16 2.722 -4.958 -7.636 1.00 15.00 H new ATOM 0 HB2 GLU A 16 3.438 -4.815 -4.730 1.00 15.00 H new ATOM 0 HB3 GLU A 16 3.572 -6.159 -5.847 1.00 15.00 H new ATOM 0 HG2 GLU A 16 5.268 -4.174 -6.905 1.00 15.00 H new ATOM 0 HG3 GLU A 16 5.523 -4.103 -5.172 1.00 15.00 H new ATOM 242 N ILE A 17 1.145 -3.219 -5.368 1.00 15.00 N ATOM 243 CA ILE A 17 -0.135 -2.949 -4.750 1.00 15.00 C ATOM 244 C ILE A 17 -1.153 -2.665 -5.845 1.00 15.00 C ATOM 245 O ILE A 17 -2.284 -3.151 -5.819 1.00 15.00 O ATOM 246 CB ILE A 17 -0.020 -1.720 -3.820 1.00 15.00 C ATOM 247 CG1 ILE A 17 0.607 -2.093 -2.470 1.00 15.00 C ATOM 248 CG2 ILE A 17 -1.376 -1.061 -3.616 1.00 15.00 C ATOM 249 CD1 ILE A 17 0.295 -3.496 -2.006 1.00 15.00 C ATOM 0 H ILE A 17 1.856 -2.514 -5.175 1.00 15.00 H new ATOM 0 HA ILE A 17 -0.449 -3.810 -4.160 1.00 15.00 H new ATOM 0 HB ILE A 17 0.640 -1.003 -4.308 1.00 15.00 H new ATOM 0 HG12 ILE A 17 1.689 -1.979 -2.541 1.00 15.00 H new ATOM 0 HG13 ILE A 17 0.261 -1.388 -1.715 1.00 15.00 H new ATOM 0 HG21 ILE A 17 -1.266 -0.199 -2.958 1.00 15.00 H new ATOM 0 HG22 ILE A 17 -1.770 -0.735 -4.578 1.00 15.00 H new ATOM 0 HG23 ILE A 17 -2.064 -1.776 -3.166 1.00 15.00 H new ATOM 0 HD11 ILE A 17 0.776 -3.677 -1.045 1.00 15.00 H new ATOM 0 HD12 ILE A 17 -0.783 -3.613 -1.899 1.00 15.00 H new ATOM 0 HD13 ILE A 17 0.667 -4.213 -2.738 1.00 15.00 H new ATOM 261 N LEU A 18 -0.709 -1.878 -6.812 1.00 15.00 N ATOM 262 CA LEU A 18 -1.516 -1.498 -7.955 1.00 15.00 C ATOM 263 C LEU A 18 -1.684 -2.685 -8.888 1.00 15.00 C ATOM 264 O LEU A 18 -2.772 -2.942 -9.400 1.00 15.00 O ATOM 265 CB LEU A 18 -0.817 -0.367 -8.692 1.00 15.00 C ATOM 266 CG LEU A 18 -0.548 0.883 -7.850 1.00 15.00 C ATOM 267 CD1 LEU A 18 0.220 1.916 -8.661 1.00 15.00 C ATOM 268 CD2 LEU A 18 -1.853 1.468 -7.330 1.00 15.00 C ATOM 0 H LEU A 18 0.231 -1.482 -6.823 1.00 15.00 H new ATOM 0 HA LEU A 18 -2.500 -1.173 -7.618 1.00 15.00 H new ATOM 0 HB2 LEU A 18 0.132 -0.737 -9.079 1.00 15.00 H new ATOM 0 HB3 LEU A 18 -1.424 -0.084 -9.552 1.00 15.00 H new ATOM 0 HG LEU A 18 0.063 0.598 -6.993 1.00 15.00 H new ATOM 0 HD11 LEU A 18 0.403 2.798 -8.047 1.00 15.00 H new ATOM 0 HD12 LEU A 18 1.172 1.493 -8.981 1.00 15.00 H new ATOM 0 HD13 LEU A 18 -0.364 2.198 -9.537 1.00 15.00 H new ATOM 0 HD21 LEU A 18 -1.642 2.356 -6.734 1.00 15.00 H new ATOM 0 HD22 LEU A 18 -2.491 1.739 -8.171 1.00 15.00 H new ATOM 0 HD23 LEU A 18 -2.362 0.729 -6.712 1.00 15.00 H new ATOM 280 N ASN A 19 -0.592 -3.412 -9.092 1.00 15.00 N ATOM 281 CA ASN A 19 -0.606 -4.588 -9.951 1.00 15.00 C ATOM 282 C ASN A 19 -1.485 -5.653 -9.324 1.00 15.00 C ATOM 283 O ASN A 19 -2.278 -6.306 -10.001 1.00 15.00 O ATOM 284 CB ASN A 19 0.810 -5.132 -10.154 1.00 15.00 C ATOM 285 CG ASN A 19 1.495 -4.529 -11.365 1.00 15.00 C ATOM 286 OD1 ASN A 19 2.154 -3.494 -11.270 1.00 15.00 O ATOM 287 ND2 ASN A 19 1.341 -5.178 -12.513 1.00 15.00 N ATOM 0 H ASN A 19 0.315 -3.207 -8.673 1.00 15.00 H new ATOM 0 HA ASN A 19 -1.004 -4.308 -10.926 1.00 15.00 H new ATOM 0 HB2 ASN A 19 1.405 -4.927 -9.264 1.00 15.00 H new ATOM 0 HB3 ASN A 19 0.767 -6.215 -10.267 1.00 15.00 H new ATOM 0 HD21 ASN A 19 1.778 -4.822 -13.363 1.00 15.00 H new ATOM 0 HD22 ASN A 19 0.786 -6.033 -12.545 1.00 15.00 H new ATOM 294 N GLU A 20 -1.346 -5.805 -8.013 1.00 15.00 N ATOM 295 CA GLU A 20 -2.136 -6.769 -7.272 1.00 15.00 C ATOM 296 C GLU A 20 -3.587 -6.315 -7.223 1.00 15.00 C ATOM 297 O GLU A 20 -4.503 -7.136 -7.233 1.00 15.00 O ATOM 298 CB GLU A 20 -1.587 -6.933 -5.853 1.00 15.00 C ATOM 299 CG GLU A 20 -0.324 -7.778 -5.784 1.00 15.00 C ATOM 300 CD GLU A 20 -0.517 -9.053 -4.987 1.00 15.00 C ATOM 301 OE1 GLU A 20 -1.200 -9.002 -3.943 1.00 15.00 O ATOM 302 OE2 GLU A 20 0.017 -10.102 -5.407 1.00 15.00 O ATOM 0 H GLU A 20 -0.691 -5.270 -7.443 1.00 15.00 H new ATOM 0 HA GLU A 20 -2.079 -7.733 -7.777 1.00 15.00 H new ATOM 0 HB2 GLU A 20 -1.378 -5.947 -5.437 1.00 15.00 H new ATOM 0 HB3 GLU A 20 -2.354 -7.388 -5.226 1.00 15.00 H new ATOM 0 HG2 GLU A 20 -0.005 -8.031 -6.795 1.00 15.00 H new ATOM 0 HG3 GLU A 20 0.477 -7.191 -5.335 1.00 15.00 H new ATOM 309 N TYR A 21 -3.792 -4.998 -7.185 1.00 15.00 N ATOM 310 CA TYR A 21 -5.144 -4.452 -7.152 1.00 15.00 C ATOM 311 C TYR A 21 -5.753 -4.431 -8.549 1.00 15.00 C ATOM 312 O TYR A 21 -6.966 -4.533 -8.714 1.00 15.00 O ATOM 313 CB TYR A 21 -5.153 -3.043 -6.566 1.00 15.00 C ATOM 314 CG TYR A 21 -6.542 -2.457 -6.478 1.00 15.00 C ATOM 315 CD1 TYR A 21 -7.579 -3.181 -5.906 1.00 15.00 C ATOM 316 CD2 TYR A 21 -6.821 -1.192 -6.979 1.00 15.00 C ATOM 317 CE1 TYR A 21 -8.855 -2.662 -5.832 1.00 15.00 C ATOM 318 CE2 TYR A 21 -8.097 -0.666 -6.910 1.00 15.00 C ATOM 319 CZ TYR A 21 -9.110 -1.405 -6.336 1.00 15.00 C ATOM 320 OH TYR A 21 -10.382 -0.885 -6.267 1.00 15.00 O ATOM 0 H TYR A 21 -3.049 -4.300 -7.176 1.00 15.00 H new ATOM 0 HA TYR A 21 -5.744 -5.100 -6.513 1.00 15.00 H new ATOM 0 HB2 TYR A 21 -4.709 -3.065 -5.571 1.00 15.00 H new ATOM 0 HB3 TYR A 21 -4.528 -2.395 -7.180 1.00 15.00 H new ATOM 0 HD1 TYR A 21 -7.384 -4.167 -5.512 1.00 15.00 H new ATOM 0 HD2 TYR A 21 -6.029 -0.611 -7.429 1.00 15.00 H new ATOM 0 HE1 TYR A 21 -9.650 -3.238 -5.381 1.00 15.00 H new ATOM 0 HE2 TYR A 21 -8.300 0.319 -7.304 1.00 15.00 H new ATOM 0 HH TYR A 21 -10.840 -1.245 -5.479 1.00 15.00 H new ATOM 330 N PHE A 22 -4.896 -4.281 -9.545 1.00 15.00 N ATOM 331 CA PHE A 22 -5.321 -4.230 -10.938 1.00 15.00 C ATOM 332 C PHE A 22 -5.546 -5.633 -11.498 1.00 15.00 C ATOM 333 O PHE A 22 -6.484 -5.866 -12.259 1.00 15.00 O ATOM 334 CB PHE A 22 -4.260 -3.499 -11.760 1.00 15.00 C ATOM 335 CG PHE A 22 -4.648 -3.248 -13.189 1.00 15.00 C ATOM 336 CD1 PHE A 22 -5.851 -2.634 -13.502 1.00 15.00 C ATOM 337 CD2 PHE A 22 -3.798 -3.612 -14.219 1.00 15.00 C ATOM 338 CE1 PHE A 22 -6.198 -2.391 -14.819 1.00 15.00 C ATOM 339 CE2 PHE A 22 -4.140 -3.374 -15.536 1.00 15.00 C ATOM 340 CZ PHE A 22 -5.341 -2.763 -15.837 1.00 15.00 C ATOM 0 H PHE A 22 -3.888 -4.191 -9.414 1.00 15.00 H new ATOM 0 HA PHE A 22 -6.268 -3.693 -10.996 1.00 15.00 H new ATOM 0 HB2 PHE A 22 -4.042 -2.544 -11.282 1.00 15.00 H new ATOM 0 HB3 PHE A 22 -3.339 -4.082 -11.743 1.00 15.00 H new ATOM 0 HD1 PHE A 22 -6.524 -2.342 -12.709 1.00 15.00 H new ATOM 0 HD2 PHE A 22 -2.856 -4.088 -13.990 1.00 15.00 H new ATOM 0 HE1 PHE A 22 -7.137 -1.911 -15.051 1.00 15.00 H new ATOM 0 HE2 PHE A 22 -3.468 -3.666 -16.330 1.00 15.00 H new ATOM 0 HZ PHE A 22 -5.610 -2.576 -16.866 1.00 15.00 H new ATOM 350 N TYR A 23 -4.669 -6.559 -11.123 1.00 15.00 N ATOM 351 CA TYR A 23 -4.753 -7.937 -11.590 1.00 15.00 C ATOM 352 C TYR A 23 -5.796 -8.738 -10.808 1.00 15.00 C ATOM 353 O TYR A 23 -6.823 -9.133 -11.354 1.00 15.00 O ATOM 354 CB TYR A 23 -3.390 -8.618 -11.463 1.00 15.00 C ATOM 355 CG TYR A 23 -2.398 -8.205 -12.526 1.00 15.00 C ATOM 356 CD1 TYR A 23 -2.186 -6.864 -12.826 1.00 15.00 C ATOM 357 CD2 TYR A 23 -1.670 -9.157 -13.229 1.00 15.00 C ATOM 358 CE1 TYR A 23 -1.277 -6.486 -13.794 1.00 15.00 C ATOM 359 CE2 TYR A 23 -0.759 -8.785 -14.199 1.00 15.00 C ATOM 360 CZ TYR A 23 -0.567 -7.449 -14.478 1.00 15.00 C ATOM 361 OH TYR A 23 0.340 -7.075 -15.442 1.00 15.00 O ATOM 0 H TYR A 23 -3.888 -6.377 -10.493 1.00 15.00 H new ATOM 0 HA TYR A 23 -5.059 -7.910 -12.636 1.00 15.00 H new ATOM 0 HB2 TYR A 23 -2.972 -8.392 -10.482 1.00 15.00 H new ATOM 0 HB3 TYR A 23 -3.529 -9.698 -11.509 1.00 15.00 H new ATOM 0 HD1 TYR A 23 -2.741 -6.106 -12.293 1.00 15.00 H new ATOM 0 HD2 TYR A 23 -1.819 -10.205 -13.014 1.00 15.00 H new ATOM 0 HE1 TYR A 23 -1.123 -5.440 -14.014 1.00 15.00 H new ATOM 0 HE2 TYR A 23 -0.200 -9.537 -14.736 1.00 15.00 H new ATOM 0 HH TYR A 23 1.232 -7.398 -15.195 1.00 15.00 H new ATOM 371 N SER A 24 -5.517 -8.968 -9.522 1.00 15.00 N ATOM 372 CA SER A 24 -6.414 -9.705 -8.633 1.00 15.00 C ATOM 373 C SER A 24 -7.853 -9.358 -8.935 1.00 15.00 C ATOM 374 O SER A 24 -8.753 -10.197 -8.894 1.00 15.00 O ATOM 375 CB SER A 24 -6.094 -9.386 -7.171 1.00 15.00 C ATOM 376 OG SER A 24 -6.578 -10.402 -6.309 1.00 15.00 O ATOM 0 H SER A 24 -4.661 -8.647 -9.069 1.00 15.00 H new ATOM 0 HA SER A 24 -6.267 -10.772 -8.800 1.00 15.00 H new ATOM 0 HB2 SER A 24 -5.016 -9.282 -7.046 1.00 15.00 H new ATOM 0 HB3 SER A 24 -6.541 -8.430 -6.898 1.00 15.00 H new ATOM 0 HG SER A 24 -6.359 -10.175 -5.381 1.00 15.00 H new ATOM 382 N HIS A 25 -8.038 -8.082 -9.204 1.00 15.00 N ATOM 383 CA HIS A 25 -9.327 -7.515 -9.487 1.00 15.00 C ATOM 384 C HIS A 25 -9.420 -7.057 -10.935 1.00 15.00 C ATOM 385 O HIS A 25 -10.017 -6.023 -11.237 1.00 15.00 O ATOM 386 CB HIS A 25 -9.517 -6.340 -8.552 1.00 15.00 C ATOM 387 CG HIS A 25 -9.819 -6.752 -7.151 1.00 15.00 C ATOM 388 ND1 HIS A 25 -10.877 -7.568 -6.820 1.00 15.00 N ATOM 389 CD2 HIS A 25 -9.173 -6.486 -5.992 1.00 15.00 C ATOM 390 CE1 HIS A 25 -10.868 -7.787 -5.521 1.00 15.00 C ATOM 391 NE2 HIS A 25 -9.846 -7.141 -4.993 1.00 15.00 N ATOM 0 H HIS A 25 -7.278 -7.403 -9.231 1.00 15.00 H new ATOM 0 HA HIS A 25 -10.106 -8.263 -9.337 1.00 15.00 H new ATOM 0 HB2 HIS A 25 -8.615 -5.728 -8.558 1.00 15.00 H new ATOM 0 HB3 HIS A 25 -10.329 -5.715 -8.924 1.00 15.00 H new ATOM 0 HD2 HIS A 25 -8.292 -5.872 -5.876 1.00 15.00 H new ATOM 0 HE1 HIS A 25 -11.578 -8.394 -4.979 1.00 15.00 H new ATOM 0 HE2 HIS A 25 -9.597 -7.131 -4.004 1.00 15.00 H new ATOM 400 N LEU A 26 -8.818 -7.830 -11.824 1.00 15.00 N ATOM 401 CA LEU A 26 -8.816 -7.511 -13.240 1.00 15.00 C ATOM 402 C LEU A 26 -10.229 -7.579 -13.817 1.00 15.00 C ATOM 403 O LEU A 26 -10.540 -6.902 -14.797 1.00 15.00 O ATOM 404 CB LEU A 26 -7.871 -8.457 -13.982 1.00 15.00 C ATOM 405 CG LEU A 26 -7.984 -8.448 -15.507 1.00 15.00 C ATOM 406 CD1 LEU A 26 -7.950 -7.024 -16.040 1.00 15.00 C ATOM 407 CD2 LEU A 26 -6.863 -9.274 -16.117 1.00 15.00 C ATOM 0 H LEU A 26 -8.321 -8.689 -11.586 1.00 15.00 H new ATOM 0 HA LEU A 26 -8.459 -6.489 -13.370 1.00 15.00 H new ATOM 0 HB2 LEU A 26 -6.846 -8.203 -13.711 1.00 15.00 H new ATOM 0 HB3 LEU A 26 -8.052 -9.472 -13.629 1.00 15.00 H new ATOM 0 HG LEU A 26 -8.939 -8.891 -15.788 1.00 15.00 H new ATOM 0 HD11 LEU A 26 -8.032 -7.040 -17.127 1.00 15.00 H new ATOM 0 HD12 LEU A 26 -8.783 -6.459 -15.622 1.00 15.00 H new ATOM 0 HD13 LEU A 26 -7.011 -6.551 -15.754 1.00 15.00 H new ATOM 0 HD21 LEU A 26 -6.952 -9.262 -17.203 1.00 15.00 H new ATOM 0 HD22 LEU A 26 -5.901 -8.852 -15.827 1.00 15.00 H new ATOM 0 HD23 LEU A 26 -6.932 -10.301 -15.759 1.00 15.00 H new ATOM 419 N SER A 27 -11.089 -8.379 -13.191 1.00 15.00 N ATOM 420 CA SER A 27 -12.474 -8.503 -13.638 1.00 15.00 C ATOM 421 C SER A 27 -13.157 -7.139 -13.605 1.00 15.00 C ATOM 422 O SER A 27 -14.133 -6.897 -14.315 1.00 15.00 O ATOM 423 CB SER A 27 -13.233 -9.492 -12.751 1.00 15.00 C ATOM 424 OG SER A 27 -14.373 -10.005 -13.418 1.00 15.00 O ATOM 0 H SER A 27 -10.853 -8.948 -12.378 1.00 15.00 H new ATOM 0 HA SER A 27 -12.479 -8.878 -14.661 1.00 15.00 H new ATOM 0 HB2 SER A 27 -12.573 -10.312 -12.469 1.00 15.00 H new ATOM 0 HB3 SER A 27 -13.539 -8.998 -11.829 1.00 15.00 H new ATOM 0 HG SER A 27 -14.840 -10.636 -12.831 1.00 15.00 H new ATOM 430 N ASN A 28 -12.618 -6.249 -12.777 1.00 15.00 N ATOM 431 CA ASN A 28 -13.136 -4.897 -12.633 1.00 15.00 C ATOM 432 C ASN A 28 -11.982 -3.941 -12.360 1.00 15.00 C ATOM 433 O ASN A 28 -11.713 -3.583 -11.213 1.00 15.00 O ATOM 434 CB ASN A 28 -14.158 -4.829 -11.497 1.00 15.00 C ATOM 435 CG ASN A 28 -15.243 -3.803 -11.755 1.00 15.00 C ATOM 436 OD1 ASN A 28 -15.825 -3.758 -12.839 1.00 15.00 O ATOM 437 ND2 ASN A 28 -15.523 -2.972 -10.758 1.00 15.00 N ATOM 0 H ASN A 28 -11.809 -6.447 -12.188 1.00 15.00 H new ATOM 0 HA ASN A 28 -13.636 -4.608 -13.557 1.00 15.00 H new ATOM 0 HB2 ASN A 28 -14.614 -5.810 -11.363 1.00 15.00 H new ATOM 0 HB3 ASN A 28 -13.646 -4.586 -10.566 1.00 15.00 H new ATOM 0 HD21 ASN A 28 -16.245 -2.261 -10.874 1.00 15.00 H new ATOM 0 HD22 ASN A 28 -15.016 -3.045 -9.876 1.00 15.00 H new ATOM 444 N PRO A 29 -11.264 -3.534 -13.420 1.00 15.00 N ATOM 445 CA PRO A 29 -10.114 -2.643 -13.314 1.00 15.00 C ATOM 446 C PRO A 29 -10.498 -1.168 -13.249 1.00 15.00 C ATOM 447 O PRO A 29 -9.660 -0.293 -13.464 1.00 15.00 O ATOM 448 CB PRO A 29 -9.313 -2.931 -14.594 1.00 15.00 C ATOM 449 CG PRO A 29 -10.124 -3.900 -15.402 1.00 15.00 C ATOM 450 CD PRO A 29 -11.502 -3.929 -14.808 1.00 15.00 C ATOM 0 HA PRO A 29 -9.560 -2.823 -12.393 1.00 15.00 H new ATOM 0 HB2 PRO A 29 -9.136 -2.013 -15.154 1.00 15.00 H new ATOM 0 HB3 PRO A 29 -8.336 -3.351 -14.353 1.00 15.00 H new ATOM 0 HG2 PRO A 29 -10.162 -3.592 -16.447 1.00 15.00 H new ATOM 0 HG3 PRO A 29 -9.674 -4.892 -15.378 1.00 15.00 H new ATOM 0 HD2 PRO A 29 -12.176 -3.239 -15.315 1.00 15.00 H new ATOM 0 HD3 PRO A 29 -11.951 -4.920 -14.875 1.00 15.00 H new ATOM 458 N TYR A 30 -11.762 -0.892 -12.947 1.00 15.00 N ATOM 459 CA TYR A 30 -12.234 0.482 -12.852 1.00 15.00 C ATOM 460 C TYR A 30 -12.520 0.850 -11.398 1.00 15.00 C ATOM 461 O TYR A 30 -13.672 1.033 -11.007 1.00 15.00 O ATOM 462 CB TYR A 30 -13.486 0.674 -13.710 1.00 15.00 C ATOM 463 CG TYR A 30 -13.185 0.807 -15.187 1.00 15.00 C ATOM 464 CD1 TYR A 30 -12.311 -0.069 -15.819 1.00 15.00 C ATOM 465 CD2 TYR A 30 -13.769 1.812 -15.949 1.00 15.00 C ATOM 466 CE1 TYR A 30 -12.027 0.051 -17.166 1.00 15.00 C ATOM 467 CE2 TYR A 30 -13.492 1.937 -17.297 1.00 15.00 C ATOM 468 CZ TYR A 30 -12.621 1.055 -17.901 1.00 15.00 C ATOM 469 OH TYR A 30 -12.342 1.179 -19.242 1.00 15.00 O ATOM 0 H TYR A 30 -12.474 -1.599 -12.765 1.00 15.00 H new ATOM 0 HA TYR A 30 -11.453 1.144 -13.226 1.00 15.00 H new ATOM 0 HB2 TYR A 30 -14.156 -0.172 -13.558 1.00 15.00 H new ATOM 0 HB3 TYR A 30 -14.016 1.565 -13.373 1.00 15.00 H new ATOM 0 HD1 TYR A 30 -11.845 -0.858 -15.247 1.00 15.00 H new ATOM 0 HD2 TYR A 30 -14.450 2.506 -15.480 1.00 15.00 H new ATOM 0 HE1 TYR A 30 -11.344 -0.638 -17.640 1.00 15.00 H new ATOM 0 HE2 TYR A 30 -13.956 2.722 -17.875 1.00 15.00 H new ATOM 0 HH TYR A 30 -12.843 1.936 -19.612 1.00 15.00 H new ATOM 479 N PRO A 31 -11.461 0.959 -10.577 1.00 15.00 N ATOM 480 CA PRO A 31 -11.588 1.303 -9.157 1.00 15.00 C ATOM 481 C PRO A 31 -12.120 2.715 -8.947 1.00 15.00 C ATOM 482 O PRO A 31 -11.683 3.658 -9.606 1.00 15.00 O ATOM 483 CB PRO A 31 -10.156 1.193 -8.629 1.00 15.00 C ATOM 484 CG PRO A 31 -9.292 1.366 -9.829 1.00 15.00 C ATOM 485 CD PRO A 31 -10.054 0.755 -10.968 1.00 15.00 C ATOM 0 HA PRO A 31 -12.296 0.650 -8.646 1.00 15.00 H new ATOM 0 HB2 PRO A 31 -9.951 1.958 -7.881 1.00 15.00 H new ATOM 0 HB3 PRO A 31 -9.983 0.228 -8.153 1.00 15.00 H new ATOM 0 HG2 PRO A 31 -9.087 2.420 -10.016 1.00 15.00 H new ATOM 0 HG3 PRO A 31 -8.329 0.873 -9.693 1.00 15.00 H new ATOM 0 HD2 PRO A 31 -9.824 1.243 -11.915 1.00 15.00 H new ATOM 0 HD3 PRO A 31 -9.819 -0.302 -11.089 1.00 15.00 H new ATOM 493 N SER A 32 -13.063 2.855 -8.021 1.00 15.00 N ATOM 494 CA SER A 32 -13.647 4.155 -7.723 1.00 15.00 C ATOM 495 C SER A 32 -12.587 5.103 -7.174 1.00 15.00 C ATOM 496 O SER A 32 -11.474 4.686 -6.855 1.00 15.00 O ATOM 497 CB SER A 32 -14.788 4.008 -6.716 1.00 15.00 C ATOM 498 OG SER A 32 -15.913 3.380 -7.308 1.00 15.00 O ATOM 0 H SER A 32 -13.437 2.085 -7.466 1.00 15.00 H new ATOM 0 HA SER A 32 -14.045 4.572 -8.648 1.00 15.00 H new ATOM 0 HB2 SER A 32 -14.449 3.423 -5.861 1.00 15.00 H new ATOM 0 HB3 SER A 32 -15.073 4.990 -6.338 1.00 15.00 H new ATOM 0 HG SER A 32 -16.628 3.296 -6.643 1.00 15.00 H new ATOM 504 N GLU A 33 -12.938 6.379 -7.066 1.00 15.00 N ATOM 505 CA GLU A 33 -12.012 7.383 -6.554 1.00 15.00 C ATOM 506 C GLU A 33 -11.476 6.985 -5.182 1.00 15.00 C ATOM 507 O GLU A 33 -10.392 7.407 -4.783 1.00 15.00 O ATOM 508 CB GLU A 33 -12.702 8.746 -6.471 1.00 15.00 C ATOM 509 CG GLU A 33 -12.508 9.602 -7.712 1.00 15.00 C ATOM 510 CD GLU A 33 -13.686 10.517 -7.980 1.00 15.00 C ATOM 511 OE1 GLU A 33 -14.767 10.005 -8.340 1.00 15.00 O ATOM 512 OE2 GLU A 33 -13.529 11.747 -7.830 1.00 15.00 O ATOM 0 H GLU A 33 -13.855 6.743 -7.325 1.00 15.00 H new ATOM 0 HA GLU A 33 -11.171 7.450 -7.244 1.00 15.00 H new ATOM 0 HB2 GLU A 33 -13.769 8.595 -6.307 1.00 15.00 H new ATOM 0 HB3 GLU A 33 -12.320 9.285 -5.604 1.00 15.00 H new ATOM 0 HG2 GLU A 33 -11.605 10.202 -7.597 1.00 15.00 H new ATOM 0 HG3 GLU A 33 -12.352 8.954 -8.575 1.00 15.00 H new ATOM 519 N GLU A 34 -12.245 6.173 -4.462 1.00 15.00 N ATOM 520 CA GLU A 34 -11.850 5.721 -3.132 1.00 15.00 C ATOM 521 C GLU A 34 -10.692 4.728 -3.206 1.00 15.00 C ATOM 522 O GLU A 34 -9.646 4.938 -2.597 1.00 15.00 O ATOM 523 CB GLU A 34 -13.042 5.081 -2.420 1.00 15.00 C ATOM 524 CG GLU A 34 -13.150 5.465 -0.954 1.00 15.00 C ATOM 525 CD GLU A 34 -13.587 6.904 -0.761 1.00 15.00 C ATOM 526 OE1 GLU A 34 -12.735 7.807 -0.901 1.00 15.00 O ATOM 527 OE2 GLU A 34 -14.781 7.128 -0.469 1.00 15.00 O ATOM 0 H GLU A 34 -13.146 5.814 -4.778 1.00 15.00 H new ATOM 0 HA GLU A 34 -11.515 6.590 -2.566 1.00 15.00 H new ATOM 0 HB2 GLU A 34 -13.959 5.371 -2.932 1.00 15.00 H new ATOM 0 HB3 GLU A 34 -12.963 3.997 -2.498 1.00 15.00 H new ATOM 0 HG2 GLU A 34 -13.861 4.803 -0.460 1.00 15.00 H new ATOM 0 HG3 GLU A 34 -12.185 5.314 -0.470 1.00 15.00 H new ATOM 534 N ALA A 35 -10.892 3.645 -3.950 1.00 15.00 N ATOM 535 CA ALA A 35 -9.870 2.616 -4.100 1.00 15.00 C ATOM 536 C ALA A 35 -8.560 3.205 -4.611 1.00 15.00 C ATOM 537 O ALA A 35 -7.481 2.824 -4.162 1.00 15.00 O ATOM 538 CB ALA A 35 -10.360 1.525 -5.038 1.00 15.00 C ATOM 0 H ALA A 35 -11.755 3.457 -4.460 1.00 15.00 H new ATOM 0 HA ALA A 35 -9.680 2.183 -3.118 1.00 15.00 H new ATOM 0 HB1 ALA A 35 -9.589 0.762 -5.143 1.00 15.00 H new ATOM 0 HB2 ALA A 35 -11.264 1.073 -4.630 1.00 15.00 H new ATOM 0 HB3 ALA A 35 -10.579 1.956 -6.015 1.00 15.00 H new ATOM 544 N LYS A 36 -8.664 4.140 -5.547 1.00 15.00 N ATOM 545 CA LYS A 36 -7.488 4.786 -6.110 1.00 15.00 C ATOM 546 C LYS A 36 -6.890 5.742 -5.087 1.00 15.00 C ATOM 547 O LYS A 36 -5.738 5.594 -4.683 1.00 15.00 O ATOM 548 CB LYS A 36 -7.863 5.524 -7.399 1.00 15.00 C ATOM 549 CG LYS A 36 -6.803 6.493 -7.897 1.00 15.00 C ATOM 550 CD LYS A 36 -7.342 7.910 -7.973 1.00 15.00 C ATOM 551 CE LYS A 36 -7.865 8.236 -9.362 1.00 15.00 C ATOM 552 NZ LYS A 36 -9.090 7.456 -9.692 1.00 15.00 N ATOM 0 H LYS A 36 -9.551 4.467 -5.931 1.00 15.00 H new ATOM 0 HA LYS A 36 -6.740 4.032 -6.356 1.00 15.00 H new ATOM 0 HB2 LYS A 36 -8.062 4.789 -8.179 1.00 15.00 H new ATOM 0 HB3 LYS A 36 -8.790 6.072 -7.233 1.00 15.00 H new ATOM 0 HG2 LYS A 36 -5.940 6.465 -7.231 1.00 15.00 H new ATOM 0 HG3 LYS A 36 -6.456 6.181 -8.882 1.00 15.00 H new ATOM 0 HD2 LYS A 36 -8.142 8.035 -7.244 1.00 15.00 H new ATOM 0 HD3 LYS A 36 -6.554 8.614 -7.706 1.00 15.00 H new ATOM 0 HE2 LYS A 36 -8.085 9.302 -9.426 1.00 15.00 H new ATOM 0 HE3 LYS A 36 -7.091 8.025 -10.100 1.00 15.00 H new ATOM 0 HZ1 LYS A 36 -9.463 7.768 -10.611 1.00 15.00 H new ATOM 0 HZ2 LYS A 36 -8.855 6.444 -9.739 1.00 15.00 H new ATOM 0 HZ3 LYS A 36 -9.809 7.610 -8.956 1.00 15.00 H new ATOM 566 N GLU A 37 -7.691 6.708 -4.652 1.00 15.00 N ATOM 567 CA GLU A 37 -7.247 7.669 -3.653 1.00 15.00 C ATOM 568 C GLU A 37 -6.711 6.935 -2.427 1.00 15.00 C ATOM 569 O GLU A 37 -5.792 7.406 -1.759 1.00 15.00 O ATOM 570 CB GLU A 37 -8.404 8.590 -3.256 1.00 15.00 C ATOM 571 CG GLU A 37 -8.093 9.486 -2.069 1.00 15.00 C ATOM 572 CD GLU A 37 -8.260 10.959 -2.386 1.00 15.00 C ATOM 573 OE1 GLU A 37 -9.417 11.429 -2.429 1.00 15.00 O ATOM 574 OE2 GLU A 37 -7.236 11.642 -2.592 1.00 15.00 O ATOM 0 H GLU A 37 -8.649 6.845 -4.975 1.00 15.00 H new ATOM 0 HA GLU A 37 -6.448 8.277 -4.077 1.00 15.00 H new ATOM 0 HB2 GLU A 37 -8.670 9.213 -4.110 1.00 15.00 H new ATOM 0 HB3 GLU A 37 -9.277 7.981 -3.021 1.00 15.00 H new ATOM 0 HG2 GLU A 37 -8.747 9.221 -1.238 1.00 15.00 H new ATOM 0 HG3 GLU A 37 -7.070 9.303 -1.740 1.00 15.00 H new ATOM 581 N GLU A 38 -7.293 5.770 -2.147 1.00 15.00 N ATOM 582 CA GLU A 38 -6.877 4.959 -1.010 1.00 15.00 C ATOM 583 C GLU A 38 -5.435 4.498 -1.182 1.00 15.00 C ATOM 584 O GLU A 38 -4.574 4.805 -0.357 1.00 15.00 O ATOM 585 CB GLU A 38 -7.797 3.746 -0.851 1.00 15.00 C ATOM 586 CG GLU A 38 -8.961 3.986 0.096 1.00 15.00 C ATOM 587 CD GLU A 38 -9.659 2.702 0.500 1.00 15.00 C ATOM 588 OE1 GLU A 38 -9.531 1.700 -0.235 1.00 15.00 O ATOM 589 OE2 GLU A 38 -10.332 2.697 1.552 1.00 15.00 O ATOM 0 H GLU A 38 -8.055 5.369 -2.694 1.00 15.00 H new ATOM 0 HA GLU A 38 -6.945 5.572 -0.111 1.00 15.00 H new ATOM 0 HB2 GLU A 38 -8.187 3.466 -1.829 1.00 15.00 H new ATOM 0 HB3 GLU A 38 -7.212 2.902 -0.487 1.00 15.00 H new ATOM 0 HG2 GLU A 38 -8.599 4.495 0.989 1.00 15.00 H new ATOM 0 HG3 GLU A 38 -9.681 4.652 -0.380 1.00 15.00 H new ATOM 596 N LEU A 39 -5.172 3.769 -2.265 1.00 15.00 N ATOM 597 CA LEU A 39 -3.823 3.284 -2.539 1.00 15.00 C ATOM 598 C LEU A 39 -2.851 4.450 -2.615 1.00 15.00 C ATOM 599 O LEU A 39 -1.724 4.371 -2.125 1.00 15.00 O ATOM 600 CB LEU A 39 -3.786 2.504 -3.852 1.00 15.00 C ATOM 601 CG LEU A 39 -4.815 1.379 -3.968 1.00 15.00 C ATOM 602 CD1 LEU A 39 -5.118 1.079 -5.428 1.00 15.00 C ATOM 603 CD2 LEU A 39 -4.314 0.131 -3.258 1.00 15.00 C ATOM 0 H LEU A 39 -5.869 3.504 -2.961 1.00 15.00 H new ATOM 0 HA LEU A 39 -3.529 2.620 -1.726 1.00 15.00 H new ATOM 0 HB2 LEU A 39 -3.939 3.202 -4.675 1.00 15.00 H new ATOM 0 HB3 LEU A 39 -2.790 2.079 -3.976 1.00 15.00 H new ATOM 0 HG LEU A 39 -5.738 1.703 -3.488 1.00 15.00 H new ATOM 0 HD11 LEU A 39 -5.852 0.276 -5.490 1.00 15.00 H new ATOM 0 HD12 LEU A 39 -5.517 1.973 -5.908 1.00 15.00 H new ATOM 0 HD13 LEU A 39 -4.202 0.773 -5.934 1.00 15.00 H new ATOM 0 HD21 LEU A 39 -5.056 -0.662 -3.349 1.00 15.00 H new ATOM 0 HD22 LEU A 39 -3.378 -0.195 -3.712 1.00 15.00 H new ATOM 0 HD23 LEU A 39 -4.148 0.354 -2.204 1.00 15.00 H new ATOM 615 N ALA A 40 -3.298 5.537 -3.235 1.00 15.00 N ATOM 616 CA ALA A 40 -2.475 6.728 -3.381 1.00 15.00 C ATOM 617 C ALA A 40 -1.836 7.127 -2.053 1.00 15.00 C ATOM 618 O ALA A 40 -0.635 7.388 -1.985 1.00 15.00 O ATOM 619 CB ALA A 40 -3.306 7.876 -3.931 1.00 15.00 C ATOM 0 H ALA A 40 -4.229 5.616 -3.645 1.00 15.00 H new ATOM 0 HA ALA A 40 -1.674 6.499 -4.084 1.00 15.00 H new ATOM 0 HB1 ALA A 40 -2.679 8.761 -4.036 1.00 15.00 H new ATOM 0 HB2 ALA A 40 -3.709 7.599 -4.905 1.00 15.00 H new ATOM 0 HB3 ALA A 40 -4.127 8.091 -3.247 1.00 15.00 H new ATOM 625 N LYS A 41 -2.649 7.173 -1.001 1.00 15.00 N ATOM 626 CA LYS A 41 -2.166 7.543 0.326 1.00 15.00 C ATOM 627 C LYS A 41 -1.382 6.401 0.967 1.00 15.00 C ATOM 628 O LYS A 41 -0.498 6.633 1.792 1.00 15.00 O ATOM 629 CB LYS A 41 -3.334 7.942 1.232 1.00 15.00 C ATOM 630 CG LYS A 41 -4.276 8.967 0.616 1.00 15.00 C ATOM 631 CD LYS A 41 -3.524 10.050 -0.145 1.00 15.00 C ATOM 632 CE LYS A 41 -2.524 10.770 0.747 1.00 15.00 C ATOM 633 NZ LYS A 41 -2.965 12.155 1.068 1.00 15.00 N ATOM 0 H LYS A 41 -3.645 6.959 -1.042 1.00 15.00 H new ATOM 0 HA LYS A 41 -1.498 8.396 0.208 1.00 15.00 H new ATOM 0 HB2 LYS A 41 -3.903 7.048 1.487 1.00 15.00 H new ATOM 0 HB3 LYS A 41 -2.936 8.344 2.164 1.00 15.00 H new ATOM 0 HG2 LYS A 41 -4.968 8.463 -0.059 1.00 15.00 H new ATOM 0 HG3 LYS A 41 -4.876 9.426 1.402 1.00 15.00 H new ATOM 0 HD2 LYS A 41 -3.002 9.605 -0.992 1.00 15.00 H new ATOM 0 HD3 LYS A 41 -4.234 10.770 -0.551 1.00 15.00 H new ATOM 0 HE2 LYS A 41 -2.391 10.208 1.671 1.00 15.00 H new ATOM 0 HE3 LYS A 41 -1.554 10.803 0.252 1.00 15.00 H new ATOM 0 HZ1 LYS A 41 -2.257 12.612 1.677 1.00 15.00 H new ATOM 0 HZ2 LYS A 41 -3.068 12.699 0.188 1.00 15.00 H new ATOM 0 HZ3 LYS A 41 -3.879 12.122 1.563 1.00 15.00 H new ATOM 647 N LYS A 42 -1.710 5.167 0.587 1.00 15.00 N ATOM 648 CA LYS A 42 -1.034 3.993 1.132 1.00 15.00 C ATOM 649 C LYS A 42 0.481 4.183 1.139 1.00 15.00 C ATOM 650 O LYS A 42 1.134 4.018 2.168 1.00 15.00 O ATOM 651 CB LYS A 42 -1.396 2.749 0.320 1.00 15.00 C ATOM 652 CG LYS A 42 -1.965 1.618 1.159 1.00 15.00 C ATOM 653 CD LYS A 42 -3.477 1.529 1.019 1.00 15.00 C ATOM 654 CE LYS A 42 -4.166 1.519 2.375 1.00 15.00 C ATOM 655 NZ LYS A 42 -4.979 2.747 2.595 1.00 15.00 N ATOM 0 H LYS A 42 -2.438 4.955 -0.095 1.00 15.00 H new ATOM 0 HA LYS A 42 -1.369 3.862 2.161 1.00 15.00 H new ATOM 0 HB2 LYS A 42 -2.123 3.024 -0.445 1.00 15.00 H new ATOM 0 HB3 LYS A 42 -0.506 2.393 -0.199 1.00 15.00 H new ATOM 0 HG2 LYS A 42 -1.514 0.674 0.854 1.00 15.00 H new ATOM 0 HG3 LYS A 42 -1.704 1.772 2.206 1.00 15.00 H new ATOM 0 HD2 LYS A 42 -3.839 2.374 0.433 1.00 15.00 H new ATOM 0 HD3 LYS A 42 -3.739 0.624 0.470 1.00 15.00 H new ATOM 0 HE2 LYS A 42 -4.808 0.641 2.450 1.00 15.00 H new ATOM 0 HE3 LYS A 42 -3.417 1.434 3.162 1.00 15.00 H new ATOM 0 HZ1 LYS A 42 -5.432 2.701 3.530 1.00 15.00 H new ATOM 0 HZ2 LYS A 42 -4.363 3.584 2.549 1.00 15.00 H new ATOM 0 HZ3 LYS A 42 -5.711 2.815 1.859 1.00 15.00 H new ATOM 669 N CYS A 43 1.030 4.531 -0.019 1.00 15.00 N ATOM 670 CA CYS A 43 2.467 4.742 -0.145 1.00 15.00 C ATOM 671 C CYS A 43 2.830 6.210 0.063 1.00 15.00 C ATOM 672 O CYS A 43 3.983 6.537 0.348 1.00 15.00 O ATOM 673 CB CYS A 43 2.951 4.274 -1.518 1.00 15.00 C ATOM 674 SG CYS A 43 3.720 2.637 -1.505 1.00 15.00 S ATOM 0 H CYS A 43 0.504 4.673 -0.881 1.00 15.00 H new ATOM 0 HA CYS A 43 2.962 4.156 0.629 1.00 15.00 H new ATOM 0 HB2 CYS A 43 2.105 4.262 -2.206 1.00 15.00 H new ATOM 0 HB3 CYS A 43 3.667 4.998 -1.906 1.00 15.00 H new ATOM 0 HG CYS A 43 2.862 1.751 -1.916 1.00 15.00 H new ATOM 680 N GLY A 44 1.847 7.092 -0.086 1.00 15.00 N ATOM 681 CA GLY A 44 2.097 8.511 0.086 1.00 15.00 C ATOM 682 C GLY A 44 2.694 9.141 -1.156 1.00 15.00 C ATOM 683 O GLY A 44 3.653 9.908 -1.075 1.00 15.00 O ATOM 0 H GLY A 44 0.885 6.850 -0.322 1.00 15.00 H new ATOM 0 HA2 GLY A 44 1.163 9.015 0.334 1.00 15.00 H new ATOM 0 HA3 GLY A 44 2.773 8.660 0.928 1.00 15.00 H new ATOM 687 N ILE A 45 2.125 8.809 -2.310 1.00 15.00 N ATOM 688 CA ILE A 45 2.603 9.337 -3.581 1.00 15.00 C ATOM 689 C ILE A 45 1.697 10.454 -4.096 1.00 15.00 C ATOM 690 O ILE A 45 1.598 11.523 -3.494 1.00 15.00 O ATOM 691 CB ILE A 45 2.739 8.209 -4.635 1.00 15.00 C ATOM 692 CG1 ILE A 45 1.507 7.289 -4.612 1.00 15.00 C ATOM 693 CG2 ILE A 45 4.014 7.416 -4.396 1.00 15.00 C ATOM 694 CD1 ILE A 45 1.591 6.162 -3.604 1.00 15.00 C ATOM 0 H ILE A 45 1.330 8.175 -2.390 1.00 15.00 H new ATOM 0 HA ILE A 45 3.592 9.763 -3.409 1.00 15.00 H new ATOM 0 HB ILE A 45 2.797 8.664 -5.624 1.00 15.00 H new ATOM 0 HG12 ILE A 45 0.623 7.889 -4.396 1.00 15.00 H new ATOM 0 HG13 ILE A 45 1.367 6.863 -5.605 1.00 15.00 H new ATOM 0 HG21 ILE A 45 4.097 6.627 -5.143 1.00 15.00 H new ATOM 0 HG22 ILE A 45 4.875 8.080 -4.472 1.00 15.00 H new ATOM 0 HG23 ILE A 45 3.985 6.972 -3.401 1.00 15.00 H new ATOM 0 HD11 ILE A 45 0.683 5.562 -3.653 1.00 15.00 H new ATOM 0 HD12 ILE A 45 2.453 5.535 -3.830 1.00 15.00 H new ATOM 0 HD13 ILE A 45 1.698 6.577 -2.602 1.00 15.00 H new ATOM 706 N THR A 46 1.036 10.184 -5.198 1.00 15.00 N ATOM 707 CA THR A 46 0.121 11.103 -5.828 1.00 15.00 C ATOM 708 C THR A 46 -0.804 10.288 -6.678 1.00 15.00 C ATOM 709 O THR A 46 -0.374 9.376 -7.381 1.00 15.00 O ATOM 710 CB THR A 46 0.843 12.136 -6.682 1.00 15.00 C ATOM 711 OG1 THR A 46 1.647 11.506 -7.665 1.00 15.00 O ATOM 712 CG2 THR A 46 1.729 13.066 -5.884 1.00 15.00 C ATOM 0 H THR A 46 1.123 9.296 -5.692 1.00 15.00 H new ATOM 0 HA THR A 46 -0.422 11.659 -5.064 1.00 15.00 H new ATOM 0 HB THR A 46 0.052 12.728 -7.143 1.00 15.00 H new ATOM 0 HG1 THR A 46 2.495 11.989 -7.752 1.00 15.00 H new ATOM 0 HG21 THR A 46 2.212 13.775 -6.557 1.00 15.00 H new ATOM 0 HG22 THR A 46 1.125 13.609 -5.157 1.00 15.00 H new ATOM 0 HG23 THR A 46 2.490 12.485 -5.362 1.00 15.00 H new ATOM 720 N VAL A 47 -2.072 10.570 -6.579 1.00 15.00 N ATOM 721 CA VAL A 47 -3.044 9.827 -7.296 1.00 15.00 C ATOM 722 C VAL A 47 -2.706 9.653 -8.748 1.00 15.00 C ATOM 723 O VAL A 47 -2.949 8.594 -9.300 1.00 15.00 O ATOM 724 CB VAL A 47 -4.412 10.445 -7.097 1.00 15.00 C ATOM 725 CG1 VAL A 47 -5.208 10.519 -8.379 1.00 15.00 C ATOM 726 CG2 VAL A 47 -5.075 9.612 -6.060 1.00 15.00 C ATOM 0 H VAL A 47 -2.450 11.319 -6.000 1.00 15.00 H new ATOM 0 HA VAL A 47 -3.053 8.817 -6.887 1.00 15.00 H new ATOM 0 HB VAL A 47 -4.333 11.484 -6.778 1.00 15.00 H new ATOM 0 HG11 VAL A 47 -6.180 10.970 -8.178 1.00 15.00 H new ATOM 0 HG12 VAL A 47 -4.670 11.126 -9.107 1.00 15.00 H new ATOM 0 HG13 VAL A 47 -5.350 9.515 -8.778 1.00 15.00 H new ATOM 0 HG21 VAL A 47 -6.074 10.002 -5.864 1.00 15.00 H new ATOM 0 HG22 VAL A 47 -5.150 8.583 -6.413 1.00 15.00 H new ATOM 0 HG23 VAL A 47 -4.488 9.639 -5.142 1.00 15.00 H new ATOM 736 N SER A 48 -2.121 10.647 -9.373 1.00 15.00 N ATOM 737 CA SER A 48 -1.762 10.479 -10.770 1.00 15.00 C ATOM 738 C SER A 48 -0.854 9.263 -10.894 1.00 15.00 C ATOM 739 O SER A 48 -0.908 8.535 -11.883 1.00 15.00 O ATOM 740 CB SER A 48 -1.092 11.732 -11.334 1.00 15.00 C ATOM 741 OG SER A 48 -1.431 12.879 -10.574 1.00 15.00 O ATOM 0 H SER A 48 -1.888 11.550 -8.960 1.00 15.00 H new ATOM 0 HA SER A 48 -2.666 10.322 -11.358 1.00 15.00 H new ATOM 0 HB2 SER A 48 -0.010 11.600 -11.336 1.00 15.00 H new ATOM 0 HB3 SER A 48 -1.397 11.876 -12.371 1.00 15.00 H new ATOM 0 HG SER A 48 -0.988 13.666 -10.955 1.00 15.00 H new ATOM 747 N GLN A 49 -0.072 9.003 -9.843 1.00 15.00 N ATOM 748 CA GLN A 49 0.778 7.822 -9.814 1.00 15.00 C ATOM 749 C GLN A 49 -0.133 6.614 -9.970 1.00 15.00 C ATOM 750 O GLN A 49 0.160 5.673 -10.702 1.00 15.00 O ATOM 751 CB GLN A 49 1.560 7.744 -8.498 1.00 15.00 C ATOM 752 CG GLN A 49 2.996 7.278 -8.672 1.00 15.00 C ATOM 753 CD GLN A 49 3.917 8.392 -9.128 1.00 15.00 C ATOM 754 OE1 GLN A 49 4.577 9.039 -8.315 1.00 15.00 O ATOM 755 NE2 GLN A 49 3.968 8.622 -10.435 1.00 15.00 N ATOM 0 H GLN A 49 -0.013 9.591 -9.011 1.00 15.00 H new ATOM 0 HA GLN A 49 1.513 7.859 -10.618 1.00 15.00 H new ATOM 0 HB2 GLN A 49 1.560 8.727 -8.026 1.00 15.00 H new ATOM 0 HB3 GLN A 49 1.046 7.064 -7.819 1.00 15.00 H new ATOM 0 HG2 GLN A 49 3.360 6.874 -7.728 1.00 15.00 H new ATOM 0 HG3 GLN A 49 3.026 6.466 -9.399 1.00 15.00 H new ATOM 0 HE21 GLN A 49 3.404 8.062 -11.074 1.00 15.00 H new ATOM 0 HE22 GLN A 49 4.571 9.359 -10.800 1.00 15.00 H new ATOM 764 N VAL A 50 -1.281 6.706 -9.299 1.00 15.00 N ATOM 765 CA VAL A 50 -2.317 5.698 -9.361 1.00 15.00 C ATOM 766 C VAL A 50 -3.226 6.016 -10.548 1.00 15.00 C ATOM 767 O VAL A 50 -3.351 5.226 -11.479 1.00 15.00 O ATOM 768 CB VAL A 50 -3.145 5.687 -8.058 1.00 15.00 C ATOM 769 CG1 VAL A 50 -4.189 4.583 -8.080 1.00 15.00 C ATOM 770 CG2 VAL A 50 -2.231 5.544 -6.847 1.00 15.00 C ATOM 0 H VAL A 50 -1.512 7.494 -8.694 1.00 15.00 H new ATOM 0 HA VAL A 50 -1.862 4.715 -9.482 1.00 15.00 H new ATOM 0 HB VAL A 50 -3.671 6.639 -7.983 1.00 15.00 H new ATOM 0 HG11 VAL A 50 -4.756 4.600 -7.149 1.00 15.00 H new ATOM 0 HG12 VAL A 50 -4.865 4.739 -8.920 1.00 15.00 H new ATOM 0 HG13 VAL A 50 -3.695 3.617 -8.186 1.00 15.00 H new ATOM 0 HG21 VAL A 50 -2.831 5.538 -5.937 1.00 15.00 H new ATOM 0 HG22 VAL A 50 -1.673 4.610 -6.920 1.00 15.00 H new ATOM 0 HG23 VAL A 50 -1.534 6.381 -6.816 1.00 15.00 H new ATOM 780 N SER A 51 -3.834 7.207 -10.513 1.00 15.00 N ATOM 781 CA SER A 51 -4.710 7.675 -11.583 1.00 15.00 C ATOM 782 C SER A 51 -4.203 7.265 -12.968 1.00 15.00 C ATOM 783 O SER A 51 -4.953 6.725 -13.783 1.00 15.00 O ATOM 784 CB SER A 51 -4.845 9.198 -11.522 1.00 15.00 C ATOM 785 OG SER A 51 -6.205 9.591 -11.558 1.00 15.00 O ATOM 0 H SER A 51 -3.731 7.868 -9.743 1.00 15.00 H new ATOM 0 HA SER A 51 -5.682 7.206 -11.431 1.00 15.00 H new ATOM 0 HB2 SER A 51 -4.379 9.571 -10.610 1.00 15.00 H new ATOM 0 HB3 SER A 51 -4.311 9.647 -12.359 1.00 15.00 H new ATOM 0 HG SER A 51 -6.264 10.568 -11.516 1.00 15.00 H new ATOM 791 N ASN A 52 -2.933 7.548 -13.229 1.00 15.00 N ATOM 792 CA ASN A 52 -2.327 7.238 -14.526 1.00 15.00 C ATOM 793 C ASN A 52 -2.002 5.748 -14.685 1.00 15.00 C ATOM 794 O ASN A 52 -2.298 5.151 -15.720 1.00 15.00 O ATOM 795 CB ASN A 52 -1.065 8.091 -14.739 1.00 15.00 C ATOM 796 CG ASN A 52 0.230 7.312 -14.572 1.00 15.00 C ATOM 797 OD1 ASN A 52 0.843 6.889 -15.553 1.00 15.00 O ATOM 798 ND2 ASN A 52 0.653 7.117 -13.328 1.00 15.00 N ATOM 0 H ASN A 52 -2.300 7.991 -12.563 1.00 15.00 H new ATOM 0 HA ASN A 52 -3.063 7.483 -15.292 1.00 15.00 H new ATOM 0 HB2 ASN A 52 -1.093 8.523 -15.739 1.00 15.00 H new ATOM 0 HB3 ASN A 52 -1.074 8.921 -14.033 1.00 15.00 H new ATOM 0 HD21 ASN A 52 1.516 6.600 -13.158 1.00 15.00 H new ATOM 0 HD22 ASN A 52 0.115 7.484 -12.543 1.00 15.00 H new ATOM 805 N TRP A 53 -1.370 5.163 -13.672 1.00 15.00 N ATOM 806 CA TRP A 53 -0.979 3.753 -13.718 1.00 15.00 C ATOM 807 C TRP A 53 -2.090 2.859 -14.250 1.00 15.00 C ATOM 808 O TRP A 53 -1.845 1.962 -15.057 1.00 15.00 O ATOM 809 CB TRP A 53 -0.592 3.262 -12.329 1.00 15.00 C ATOM 810 CG TRP A 53 -0.014 1.883 -12.337 1.00 15.00 C ATOM 811 CD1 TRP A 53 1.305 1.539 -12.266 1.00 15.00 C ATOM 812 CD2 TRP A 53 -0.745 0.660 -12.427 1.00 15.00 C ATOM 813 NE1 TRP A 53 1.436 0.172 -12.306 1.00 15.00 N ATOM 814 CE2 TRP A 53 0.189 -0.390 -12.404 1.00 15.00 C ATOM 815 CE3 TRP A 53 -2.104 0.354 -12.523 1.00 15.00 C ATOM 816 CZ2 TRP A 53 -0.194 -1.727 -12.475 1.00 15.00 C ATOM 817 CZ3 TRP A 53 -2.483 -0.970 -12.592 1.00 15.00 C ATOM 818 CH2 TRP A 53 -1.532 -1.998 -12.568 1.00 15.00 C ATOM 0 H TRP A 53 -1.116 5.642 -12.808 1.00 15.00 H new ATOM 0 HA TRP A 53 -0.129 3.692 -14.397 1.00 15.00 H new ATOM 0 HB2 TRP A 53 0.132 3.951 -11.895 1.00 15.00 H new ATOM 0 HB3 TRP A 53 -1.472 3.278 -11.686 1.00 15.00 H new ATOM 0 HD1 TRP A 53 2.125 2.238 -12.190 1.00 15.00 H new ATOM 0 HE1 TRP A 53 2.317 -0.341 -12.269 1.00 15.00 H new ATOM 0 HE3 TRP A 53 -2.845 1.140 -12.543 1.00 15.00 H new ATOM 0 HZ2 TRP A 53 0.538 -2.521 -12.457 1.00 15.00 H new ATOM 0 HZ3 TRP A 53 -3.531 -1.219 -12.666 1.00 15.00 H new ATOM 0 HH2 TRP A 53 -1.861 -3.025 -12.624 1.00 15.00 H new ATOM 829 N PHE A 54 -3.304 3.089 -13.776 1.00 15.00 N ATOM 830 CA PHE A 54 -4.437 2.279 -14.189 1.00 15.00 C ATOM 831 C PHE A 54 -4.830 2.602 -15.621 1.00 15.00 C ATOM 832 O PHE A 54 -5.070 1.706 -16.430 1.00 15.00 O ATOM 833 CB PHE A 54 -5.624 2.490 -13.248 1.00 15.00 C ATOM 834 CG PHE A 54 -5.338 2.074 -11.833 1.00 15.00 C ATOM 835 CD1 PHE A 54 -4.274 2.626 -11.143 1.00 15.00 C ATOM 836 CD2 PHE A 54 -6.130 1.133 -11.195 1.00 15.00 C ATOM 837 CE1 PHE A 54 -3.999 2.256 -9.849 1.00 15.00 C ATOM 838 CE2 PHE A 54 -5.861 0.755 -9.894 1.00 15.00 C ATOM 839 CZ PHE A 54 -4.792 1.317 -9.218 1.00 15.00 C ATOM 0 H PHE A 54 -3.529 3.826 -13.108 1.00 15.00 H new ATOM 0 HA PHE A 54 -4.143 1.231 -14.140 1.00 15.00 H new ATOM 0 HB2 PHE A 54 -5.907 3.543 -13.260 1.00 15.00 H new ATOM 0 HB3 PHE A 54 -6.479 1.926 -13.620 1.00 15.00 H new ATOM 0 HD1 PHE A 54 -3.649 3.360 -11.630 1.00 15.00 H new ATOM 0 HD2 PHE A 54 -6.965 0.691 -11.719 1.00 15.00 H new ATOM 0 HE1 PHE A 54 -3.164 2.698 -9.326 1.00 15.00 H new ATOM 0 HE2 PHE A 54 -6.484 0.021 -9.405 1.00 15.00 H new ATOM 0 HZ PHE A 54 -4.579 1.023 -8.201 1.00 15.00 H new ATOM 849 N GLY A 55 -4.880 3.891 -15.928 1.00 15.00 N ATOM 850 CA GLY A 55 -5.231 4.315 -17.271 1.00 15.00 C ATOM 851 C GLY A 55 -4.144 3.989 -18.283 1.00 15.00 C ATOM 852 O GLY A 55 -4.345 4.140 -19.488 1.00 15.00 O ATOM 0 H GLY A 55 -4.685 4.649 -15.274 1.00 15.00 H new ATOM 0 HA2 GLY A 55 -6.160 3.831 -17.571 1.00 15.00 H new ATOM 0 HA3 GLY A 55 -5.416 5.389 -17.274 1.00 15.00 H new ATOM 856 N ASN A 56 -2.993 3.535 -17.792 1.00 15.00 N ATOM 857 CA ASN A 56 -1.878 3.179 -18.647 1.00 15.00 C ATOM 858 C ASN A 56 -1.870 1.679 -18.902 1.00 15.00 C ATOM 859 O ASN A 56 -1.985 1.239 -20.039 1.00 15.00 O ATOM 860 CB ASN A 56 -0.559 3.622 -18.010 1.00 15.00 C ATOM 861 CG ASN A 56 0.654 3.132 -18.775 1.00 15.00 C ATOM 862 OD1 ASN A 56 1.027 1.880 -18.543 1.00 15.00 O flip ATOM 863 ND2 ASN A 56 1.246 3.868 -19.564 1.00 15.00 N flip ATOM 0 H ASN A 56 -2.814 3.406 -16.796 1.00 15.00 H new ATOM 0 HA ASN A 56 -1.990 3.692 -19.602 1.00 15.00 H new ATOM 0 HB2 ASN A 56 -0.534 4.710 -17.956 1.00 15.00 H new ATOM 0 HB3 ASN A 56 -0.512 3.251 -16.986 1.00 15.00 H new ATOM 0 HD21 ASN A 56 0.923 4.824 -19.710 1.00 15.00 H new ATOM 0 HD22 ASN A 56 2.060 3.522 -20.072 1.00 15.00 H new ATOM 870 N LYS A 57 -1.748 0.899 -17.826 1.00 15.00 N ATOM 871 CA LYS A 57 -1.732 -0.558 -17.929 1.00 15.00 C ATOM 872 C LYS A 57 -2.914 -1.056 -18.744 1.00 15.00 C ATOM 873 O LYS A 57 -2.855 -2.133 -19.338 1.00 15.00 O ATOM 874 CB LYS A 57 -1.740 -1.188 -16.536 1.00 15.00 C ATOM 875 CG LYS A 57 -0.916 -2.463 -16.440 1.00 15.00 C ATOM 876 CD LYS A 57 0.297 -2.284 -15.538 1.00 15.00 C ATOM 877 CE LYS A 57 1.594 -2.327 -16.331 1.00 15.00 C ATOM 878 NZ LYS A 57 2.646 -3.120 -15.636 1.00 15.00 N ATOM 0 H LYS A 57 -1.659 1.254 -16.874 1.00 15.00 H new ATOM 0 HA LYS A 57 -0.817 -0.855 -18.442 1.00 15.00 H new ATOM 0 HB2 LYS A 57 -1.358 -0.464 -15.816 1.00 15.00 H new ATOM 0 HB3 LYS A 57 -2.769 -1.408 -16.252 1.00 15.00 H new ATOM 0 HG2 LYS A 57 -1.539 -3.271 -16.056 1.00 15.00 H new ATOM 0 HG3 LYS A 57 -0.588 -2.760 -17.436 1.00 15.00 H new ATOM 0 HD2 LYS A 57 0.223 -1.332 -15.012 1.00 15.00 H new ATOM 0 HD3 LYS A 57 0.307 -3.067 -14.780 1.00 15.00 H new ATOM 0 HE2 LYS A 57 1.404 -2.759 -17.314 1.00 15.00 H new ATOM 0 HE3 LYS A 57 1.954 -1.311 -16.493 1.00 15.00 H new ATOM 0 HZ1 LYS A 57 3.513 -3.124 -16.210 1.00 15.00 H new ATOM 0 HZ2 LYS A 57 2.846 -2.694 -14.709 1.00 15.00 H new ATOM 0 HZ3 LYS A 57 2.314 -4.097 -15.504 1.00 15.00 H new ATOM 892 N ARG A 58 -3.969 -0.250 -18.818 1.00 15.00 N ATOM 893 CA ARG A 58 -5.127 -0.610 -19.623 1.00 15.00 C ATOM 894 C ARG A 58 -4.701 -0.739 -21.086 1.00 15.00 C ATOM 895 O ARG A 58 -5.476 -1.164 -21.943 1.00 15.00 O ATOM 896 CB ARG A 58 -6.228 0.444 -19.481 1.00 15.00 C ATOM 897 CG ARG A 58 -7.630 -0.110 -19.672 1.00 15.00 C ATOM 898 CD ARG A 58 -8.541 0.902 -20.350 1.00 15.00 C ATOM 899 NE ARG A 58 -9.117 1.846 -19.395 1.00 15.00 N ATOM 900 CZ ARG A 58 -9.644 3.019 -19.740 1.00 15.00 C ATOM 901 NH1 ARG A 58 -9.671 3.393 -21.012 1.00 15.00 N ATOM 902 NH2 ARG A 58 -10.146 3.819 -18.810 1.00 15.00 N ATOM 0 H ARG A 58 -4.045 0.646 -18.336 1.00 15.00 H new ATOM 0 HA ARG A 58 -5.524 -1.563 -19.275 1.00 15.00 H new ATOM 0 HB2 ARG A 58 -6.158 0.899 -18.493 1.00 15.00 H new ATOM 0 HB3 ARG A 58 -6.057 1.236 -20.210 1.00 15.00 H new ATOM 0 HG2 ARG A 58 -7.585 -1.019 -20.271 1.00 15.00 H new ATOM 0 HG3 ARG A 58 -8.048 -0.387 -18.704 1.00 15.00 H new ATOM 0 HD2 ARG A 58 -7.977 1.449 -21.105 1.00 15.00 H new ATOM 0 HD3 ARG A 58 -9.343 0.377 -20.869 1.00 15.00 H new ATOM 0 HE ARG A 58 -9.115 1.592 -18.407 1.00 15.00 H new ATOM 0 HH11 ARG A 58 -9.287 2.781 -21.732 1.00 15.00 H new ATOM 0 HH12 ARG A 58 -10.076 4.293 -21.271 1.00 15.00 H new ATOM 0 HH21 ARG A 58 -10.129 3.536 -17.830 1.00 15.00 H new ATOM 0 HH22 ARG A 58 -10.550 4.718 -19.074 1.00 15.00 H new ATOM 916 N ILE A 59 -3.445 -0.364 -21.353 1.00 15.00 N ATOM 917 CA ILE A 59 -2.873 -0.424 -22.685 1.00 15.00 C ATOM 918 C ILE A 59 -2.935 -1.838 -23.251 1.00 15.00 C ATOM 919 O ILE A 59 -3.836 -2.183 -24.013 1.00 15.00 O ATOM 920 CB ILE A 59 -1.392 0.052 -22.690 1.00 15.00 C ATOM 921 CG1 ILE A 59 -0.662 -0.442 -21.431 1.00 15.00 C ATOM 922 CG2 ILE A 59 -1.325 1.570 -22.785 1.00 15.00 C ATOM 923 CD1 ILE A 59 0.448 -1.449 -21.682 1.00 15.00 C ATOM 0 H ILE A 59 -2.803 -0.011 -20.644 1.00 15.00 H new ATOM 0 HA ILE A 59 -3.467 0.243 -23.310 1.00 15.00 H new ATOM 0 HB ILE A 59 -0.895 -0.372 -23.562 1.00 15.00 H new ATOM 0 HG12 ILE A 59 -0.240 0.419 -20.913 1.00 15.00 H new ATOM 0 HG13 ILE A 59 -1.393 -0.891 -20.759 1.00 15.00 H new ATOM 0 HG21 ILE A 59 -0.283 1.889 -22.787 1.00 15.00 H new ATOM 0 HG22 ILE A 59 -1.807 1.899 -23.706 1.00 15.00 H new ATOM 0 HG23 ILE A 59 -1.837 2.011 -21.930 1.00 15.00 H new ATOM 0 HD11 ILE A 59 0.901 -1.736 -20.733 1.00 15.00 H new ATOM 0 HD12 ILE A 59 0.035 -2.333 -22.168 1.00 15.00 H new ATOM 0 HD13 ILE A 59 1.206 -1.002 -22.325 1.00 15.00 H new ATOM 935 N ARG A 60 -1.965 -2.639 -22.846 1.00 15.00 N ATOM 936 CA ARG A 60 -1.834 -4.031 -23.258 1.00 15.00 C ATOM 937 C ARG A 60 -0.878 -4.731 -22.308 1.00 15.00 C ATOM 938 O ARG A 60 0.240 -5.083 -22.686 1.00 15.00 O ATOM 939 CB ARG A 60 -1.284 -4.150 -24.686 1.00 15.00 C ATOM 940 CG ARG A 60 -1.911 -3.204 -25.695 1.00 15.00 C ATOM 941 CD ARG A 60 -1.186 -1.869 -25.722 1.00 15.00 C ATOM 942 NE ARG A 60 -1.914 -0.865 -26.493 1.00 15.00 N ATOM 943 CZ ARG A 60 -1.880 -0.784 -27.822 1.00 15.00 C ATOM 944 NH1 ARG A 60 -1.160 -1.649 -28.526 1.00 15.00 N ATOM 945 NH2 ARG A 60 -2.568 0.161 -28.446 1.00 15.00 N ATOM 0 H ARG A 60 -1.229 -2.336 -22.208 1.00 15.00 H new ATOM 0 HA ARG A 60 -2.823 -4.490 -23.234 1.00 15.00 H new ATOM 0 HB2 ARG A 60 -0.209 -3.971 -24.662 1.00 15.00 H new ATOM 0 HB3 ARG A 60 -1.429 -5.174 -25.031 1.00 15.00 H new ATOM 0 HG2 ARG A 60 -1.883 -3.656 -26.687 1.00 15.00 H new ATOM 0 HG3 ARG A 60 -2.960 -3.046 -25.446 1.00 15.00 H new ATOM 0 HD2 ARG A 60 -1.047 -1.512 -24.702 1.00 15.00 H new ATOM 0 HD3 ARG A 60 -0.193 -2.005 -26.150 1.00 15.00 H new ATOM 0 HE ARG A 60 -2.481 -0.187 -25.984 1.00 15.00 H new ATOM 0 HH11 ARG A 60 -0.630 -2.379 -28.049 1.00 15.00 H new ATOM 0 HH12 ARG A 60 -1.136 -1.584 -29.544 1.00 15.00 H new ATOM 0 HH21 ARG A 60 -3.124 0.826 -27.909 1.00 15.00 H new ATOM 0 HH22 ARG A 60 -2.542 0.223 -29.464 1.00 15.00 H new ATOM 959 N TYR A 61 -1.295 -4.897 -21.066 1.00 15.00 N ATOM 960 CA TYR A 61 -0.445 -5.511 -20.072 1.00 15.00 C ATOM 961 C TYR A 61 -0.068 -6.936 -20.429 1.00 15.00 C ATOM 962 O TYR A 61 1.017 -7.196 -20.949 1.00 15.00 O ATOM 963 CB TYR A 61 -1.067 -5.408 -18.671 1.00 15.00 C ATOM 964 CG TYR A 61 -2.516 -5.848 -18.568 1.00 15.00 C ATOM 965 CD1 TYR A 61 -3.216 -6.235 -19.695 1.00 15.00 C ATOM 966 CD2 TYR A 61 -3.180 -5.862 -17.348 1.00 15.00 C ATOM 967 CE1 TYR A 61 -4.537 -6.627 -19.623 1.00 15.00 C ATOM 968 CE2 TYR A 61 -4.503 -6.254 -17.261 1.00 15.00 C ATOM 969 CZ TYR A 61 -5.177 -6.636 -18.402 1.00 15.00 C ATOM 970 OH TYR A 61 -6.494 -7.026 -18.325 1.00 15.00 O ATOM 0 H TYR A 61 -2.214 -4.615 -20.726 1.00 15.00 H new ATOM 0 HA TYR A 61 0.489 -4.949 -20.058 1.00 15.00 H new ATOM 0 HB2 TYR A 61 -0.473 -6.009 -17.983 1.00 15.00 H new ATOM 0 HB3 TYR A 61 -0.994 -4.374 -18.335 1.00 15.00 H new ATOM 0 HD1 TYR A 61 -2.718 -6.231 -20.653 1.00 15.00 H new ATOM 0 HD2 TYR A 61 -2.655 -5.562 -16.453 1.00 15.00 H new ATOM 0 HE1 TYR A 61 -5.066 -6.925 -20.517 1.00 15.00 H new ATOM 0 HE2 TYR A 61 -5.006 -6.261 -16.305 1.00 15.00 H new ATOM 0 HH TYR A 61 -6.684 -7.679 -19.031 1.00 15.00 H new ATOM 980 N LYS A 62 -0.956 -7.835 -20.148 1.00 15.00 N ATOM 981 CA LYS A 62 -0.739 -9.254 -20.427 1.00 15.00 C ATOM 982 C LYS A 62 -2.062 -10.003 -20.594 1.00 15.00 C ATOM 983 O LYS A 62 -2.248 -11.085 -20.038 1.00 15.00 O ATOM 984 CB LYS A 62 0.101 -9.910 -19.318 1.00 15.00 C ATOM 985 CG LYS A 62 0.235 -9.078 -18.049 1.00 15.00 C ATOM 986 CD LYS A 62 1.559 -8.332 -18.011 1.00 15.00 C ATOM 987 CE LYS A 62 2.721 -9.273 -17.740 1.00 15.00 C ATOM 988 NZ LYS A 62 3.950 -8.536 -17.332 1.00 15.00 N ATOM 0 H LYS A 62 -1.857 -7.626 -19.719 1.00 15.00 H new ATOM 0 HA LYS A 62 -0.191 -9.317 -21.367 1.00 15.00 H new ATOM 0 HB2 LYS A 62 -0.346 -10.871 -19.062 1.00 15.00 H new ATOM 0 HB3 LYS A 62 1.097 -10.116 -19.709 1.00 15.00 H new ATOM 0 HG2 LYS A 62 -0.588 -8.365 -17.991 1.00 15.00 H new ATOM 0 HG3 LYS A 62 0.156 -9.727 -17.177 1.00 15.00 H new ATOM 0 HD2 LYS A 62 1.717 -7.821 -18.961 1.00 15.00 H new ATOM 0 HD3 LYS A 62 1.523 -7.564 -17.238 1.00 15.00 H new ATOM 0 HE2 LYS A 62 2.443 -9.977 -16.956 1.00 15.00 H new ATOM 0 HE3 LYS A 62 2.930 -9.859 -18.635 1.00 15.00 H new ATOM 0 HZ1 LYS A 62 4.719 -9.214 -17.156 1.00 15.00 H new ATOM 0 HZ2 LYS A 62 4.231 -7.882 -18.091 1.00 15.00 H new ATOM 0 HZ3 LYS A 62 3.759 -7.997 -16.464 1.00 15.00 H new ATOM 1002 N LYS A 63 -2.974 -9.430 -21.372 1.00 15.00 N ATOM 1003 CA LYS A 63 -4.265 -10.052 -21.620 1.00 15.00 C ATOM 1004 C LYS A 63 -4.934 -9.428 -22.843 1.00 15.00 C ATOM 1005 O LYS A 63 -5.595 -8.395 -22.742 1.00 15.00 O ATOM 1006 CB LYS A 63 -5.165 -9.912 -20.391 1.00 15.00 C ATOM 1007 CG LYS A 63 -6.600 -10.341 -20.637 1.00 15.00 C ATOM 1008 CD LYS A 63 -6.971 -11.561 -19.810 1.00 15.00 C ATOM 1009 CE LYS A 63 -8.401 -12.002 -20.080 1.00 15.00 C ATOM 1010 NZ LYS A 63 -8.721 -11.994 -21.534 1.00 15.00 N ATOM 0 H LYS A 63 -2.841 -8.534 -21.841 1.00 15.00 H new ATOM 0 HA LYS A 63 -4.107 -11.112 -21.818 1.00 15.00 H new ATOM 0 HB2 LYS A 63 -4.751 -10.508 -19.578 1.00 15.00 H new ATOM 0 HB3 LYS A 63 -5.157 -8.873 -20.061 1.00 15.00 H new ATOM 0 HG2 LYS A 63 -7.273 -9.518 -20.394 1.00 15.00 H new ATOM 0 HG3 LYS A 63 -6.737 -10.563 -21.695 1.00 15.00 H new ATOM 0 HD2 LYS A 63 -6.287 -12.379 -20.039 1.00 15.00 H new ATOM 0 HD3 LYS A 63 -6.853 -11.334 -18.751 1.00 15.00 H new ATOM 0 HE2 LYS A 63 -8.553 -13.005 -19.681 1.00 15.00 H new ATOM 0 HE3 LYS A 63 -9.090 -11.342 -19.553 1.00 15.00 H new ATOM 0 HZ1 LYS A 63 -9.596 -12.531 -21.700 1.00 15.00 H new ATOM 0 HZ2 LYS A 63 -8.850 -11.013 -21.856 1.00 15.00 H new ATOM 0 HZ3 LYS A 63 -7.940 -12.432 -22.064 1.00 15.00 H new ATOM 1024 N ASN A 64 -4.757 -10.065 -23.996 1.00 15.00 N ATOM 1025 CA ASN A 64 -5.343 -9.573 -25.237 1.00 15.00 C ATOM 1026 C ASN A 64 -6.753 -10.120 -25.429 1.00 15.00 C ATOM 1027 O ASN A 64 -7.208 -10.190 -26.589 1.00 15.00 O ATOM 1028 CB ASN A 64 -4.466 -9.964 -26.428 1.00 15.00 C ATOM 1029 CG ASN A 64 -4.348 -8.848 -27.449 1.00 15.00 C ATOM 1030 OD1 ASN A 64 -5.285 -8.076 -27.653 1.00 15.00 O ATOM 1031 ND2 ASN A 64 -3.192 -8.758 -28.096 1.00 15.00 N ATOM 1032 OXT ASN A 64 -7.392 -10.473 -24.414 1.00 15.00 O ATOM 0 H ASN A 64 -4.213 -10.922 -24.097 1.00 15.00 H new ATOM 0 HA ASN A 64 -5.400 -8.486 -25.176 1.00 15.00 H new ATOM 0 HB2 ASN A 64 -3.472 -10.233 -26.071 1.00 15.00 H new ATOM 0 HB3 ASN A 64 -4.883 -10.849 -26.908 1.00 15.00 H new ATOM 0 HD21 ASN A 64 -3.054 -8.027 -28.794 1.00 15.00 H new ATOM 0 HD22 ASN A 64 -2.442 -9.420 -27.895 1.00 15.00 H new TER 1039 ASN A 64