USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 682 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 79 GLN :FLIP amide:sc= -1.2 F(o=-3.8,f=-2) USER MOD Set 1.2: A 81 LYS NZ :NH3+ -125:sc= -0.81 (180deg=-5.13!) USER MOD Set 2.1: A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 38 GLN :FLIP amide:sc= -0.124 F(o=-2,f=-0.32) USER MOD Set 2.3: A 54 GLN :FLIP amide:sc= -0.193 F(o=-1.4,f=-0.32) USER MOD Set 3.1: A 23 CYS SG : rot -47:sc= -0.193 USER MOD Set 3.2: A 26 THR OG1 : rot -84:sc= 0.555 USER MOD Set 4.1: A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 78 LYS NZ :NH3+ 163:sc=-0.00939 (180deg=-0.33) USER MOD Single : A 1 GLY N :NH3+ -122:sc= 1.14 (180deg=0.0869) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN :FLIP amide:sc= -1.98! C(o=-2.5!,f=-2!) USER MOD Single : A 12 LYS NZ :NH3+ -150:sc= 0.442 (180deg=-0.213) USER MOD Single : A 13 MET CE :methyl 170:sc= -2.11 (180deg=-2.63) USER MOD Single : A 18 MET CE :methyl -136:sc= -0.362 (180deg=-1.13) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 168:sc=-0.00971 (180deg=-0.214) USER MOD Single : A 33 LYS NZ :NH3+ -115:sc= -2.85 (180deg=-5.01!) USER MOD Single : A 35 GLN : amide:sc= -0.289 X(o=-0.29,f=-0.29) USER MOD Single : A 41 LYS NZ :NH3+ -162:sc= -3.79! (180deg=-4.89!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN :FLIP amide:sc= -0.188 F(o=-1.1,f=-0.19) USER MOD Single : A 47 GLN : amide:sc= -3.6! C(o=-3.6!,f=-3.8!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -2.18 X(o=-2.2,f=-1.9) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -136:sc= -0.972 (180deg=-1.86!) USER MOD Single : A 64 LYS NZ :NH3+ 179:sc= -2.71! (180deg=-2.73!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.0143 X(o=-0.014,f=-0.23) USER MOD Single : A 70 MET CE :methyl 166:sc= -1.38 (180deg=-1.74) USER MOD Single : A 77 LYS NZ :NH3+ 156:sc= -0.0646 (180deg=-0.383) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -134:sc= -2.01 (180deg=-4.88!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.222 -17.156 -8.092 1.00 0.00 N ATOM 2 CA GLY A 1 0.261 -18.092 -9.143 1.00 0.00 C ATOM 3 C GLY A 1 1.693 -18.561 -8.848 1.00 0.00 C ATOM 4 O GLY A 1 1.960 -19.747 -8.820 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.089 -17.536 -7.661 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.510 -17.047 -7.361 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.425 -16.230 -8.519 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.403 -18.954 -9.200 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.229 -17.600 -10.115 1.00 0.00 H new ATOM 10 N SER A 2 2.564 -17.606 -8.636 1.00 0.00 N ATOM 11 CA SER A 2 4.004 -17.900 -8.339 1.00 0.00 C ATOM 12 C SER A 2 4.192 -18.768 -7.081 1.00 0.00 C ATOM 13 O SER A 2 4.423 -19.957 -7.188 1.00 0.00 O ATOM 14 CB SER A 2 4.742 -16.554 -8.176 1.00 0.00 C ATOM 15 OG SER A 2 4.575 -15.913 -9.433 1.00 0.00 O ATOM 0 H SER A 2 2.334 -16.613 -8.656 1.00 0.00 H new ATOM 0 HA SER A 2 4.416 -18.477 -9.167 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.316 -15.961 -7.367 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.796 -16.703 -7.941 1.00 0.00 H new ATOM 0 HG SER A 2 5.018 -15.039 -9.416 1.00 0.00 H new ATOM 21 N MET A 3 4.085 -18.149 -5.933 1.00 0.00 N ATOM 22 CA MET A 3 4.245 -18.870 -4.627 1.00 0.00 C ATOM 23 C MET A 3 3.193 -19.979 -4.440 1.00 0.00 C ATOM 24 O MET A 3 3.346 -20.832 -3.588 1.00 0.00 O ATOM 25 CB MET A 3 4.122 -17.850 -3.479 1.00 0.00 C ATOM 26 CG MET A 3 5.220 -16.778 -3.596 1.00 0.00 C ATOM 27 SD MET A 3 5.222 -15.464 -2.351 1.00 0.00 S ATOM 28 CE MET A 3 6.146 -16.330 -1.057 1.00 0.00 C ATOM 0 H MET A 3 3.889 -17.152 -5.841 1.00 0.00 H new ATOM 0 HA MET A 3 5.225 -19.346 -4.623 1.00 0.00 H new ATOM 0 HB2 MET A 3 3.140 -17.378 -3.506 1.00 0.00 H new ATOM 0 HB3 MET A 3 4.204 -18.361 -2.520 1.00 0.00 H new ATOM 0 HG2 MET A 3 6.187 -17.279 -3.561 1.00 0.00 H new ATOM 0 HG3 MET A 3 5.137 -16.314 -4.579 1.00 0.00 H new ATOM 0 HE1 MET A 3 6.256 -15.678 -0.190 1.00 0.00 H new ATOM 0 HE2 MET A 3 5.607 -17.232 -0.767 1.00 0.00 H new ATOM 0 HE3 MET A 3 7.132 -16.602 -1.434 1.00 0.00 H new ATOM 38 N ALA A 4 2.163 -19.929 -5.246 1.00 0.00 N ATOM 39 CA ALA A 4 1.063 -20.936 -5.180 1.00 0.00 C ATOM 40 C ALA A 4 0.209 -20.821 -6.446 1.00 0.00 C ATOM 41 O ALA A 4 -0.340 -19.770 -6.716 1.00 0.00 O ATOM 42 CB ALA A 4 0.191 -20.666 -3.942 1.00 0.00 C ATOM 0 H ALA A 4 2.037 -19.215 -5.963 1.00 0.00 H new ATOM 0 HA ALA A 4 1.483 -21.939 -5.108 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -0.612 -21.402 -3.895 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.803 -20.739 -3.043 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -0.237 -19.666 -4.010 1.00 0.00 H new ATOM 48 N GLN A 5 0.127 -21.906 -7.178 1.00 0.00 N ATOM 49 CA GLN A 5 -0.676 -21.933 -8.441 1.00 0.00 C ATOM 50 C GLN A 5 -2.125 -21.578 -8.070 1.00 0.00 C ATOM 51 O GLN A 5 -2.735 -22.271 -7.280 1.00 0.00 O ATOM 52 CB GLN A 5 -0.576 -23.356 -9.049 1.00 0.00 C ATOM 53 CG GLN A 5 -1.154 -23.410 -10.488 1.00 0.00 C ATOM 54 CD GLN A 5 -2.659 -23.101 -10.505 1.00 0.00 C ATOM 55 OE1 GLN A 5 -3.076 -22.039 -11.137 1.00 0.00 O flip ATOM 56 NE2 GLN A 5 -3.463 -23.820 -9.946 1.00 0.00 N flip ATOM 0 H GLN A 5 0.589 -22.786 -6.950 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.312 -21.220 -9.180 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.467 -23.672 -9.064 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.114 -24.061 -8.415 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.628 -22.694 -11.119 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.980 -24.398 -10.914 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.144 -24.652 -9.450 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -4.457 -23.591 -9.973 1.00 0.00 H new ATOM 65 N ALA A 6 -2.601 -20.507 -8.663 1.00 0.00 N ATOM 66 CA ALA A 6 -3.988 -19.962 -8.456 1.00 0.00 C ATOM 67 C ALA A 6 -4.093 -19.217 -7.113 1.00 0.00 C ATOM 68 O ALA A 6 -4.823 -18.249 -7.011 1.00 0.00 O ATOM 69 CB ALA A 6 -5.053 -21.099 -8.471 1.00 0.00 C ATOM 0 H ALA A 6 -2.050 -19.956 -9.322 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.181 -19.273 -9.278 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.044 -20.671 -8.319 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.023 -21.613 -9.432 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.838 -21.809 -7.673 1.00 0.00 H new ATOM 75 N GLY A 7 -3.368 -19.682 -6.125 1.00 0.00 N ATOM 76 CA GLY A 7 -3.390 -19.037 -4.776 1.00 0.00 C ATOM 77 C GLY A 7 -2.534 -17.765 -4.786 1.00 0.00 C ATOM 78 O GLY A 7 -1.888 -17.471 -5.773 1.00 0.00 O ATOM 0 H GLY A 7 -2.753 -20.493 -6.198 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.415 -18.793 -4.498 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.013 -19.732 -4.026 1.00 0.00 H new ATOM 82 N GLU A 8 -2.564 -17.061 -3.680 1.00 0.00 N ATOM 83 CA GLU A 8 -1.794 -15.782 -3.489 1.00 0.00 C ATOM 84 C GLU A 8 -2.345 -14.656 -4.387 1.00 0.00 C ATOM 85 O GLU A 8 -2.976 -14.911 -5.396 1.00 0.00 O ATOM 86 CB GLU A 8 -0.269 -16.052 -3.793 1.00 0.00 C ATOM 87 CG GLU A 8 0.223 -15.460 -5.148 1.00 0.00 C ATOM 88 CD GLU A 8 1.580 -16.083 -5.497 1.00 0.00 C ATOM 89 OE1 GLU A 8 1.528 -17.213 -5.954 1.00 0.00 O ATOM 90 OE2 GLU A 8 2.580 -15.414 -5.294 1.00 0.00 O ATOM 0 H GLU A 8 -3.114 -17.331 -2.865 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.905 -15.449 -2.457 1.00 0.00 H new ATOM 0 HB2 GLU A 8 0.331 -15.632 -2.986 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.094 -17.128 -3.794 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.501 -15.668 -5.936 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.313 -14.376 -5.076 1.00 0.00 H new ATOM 97 N VAL A 9 -2.080 -13.440 -3.980 1.00 0.00 N ATOM 98 CA VAL A 9 -2.542 -12.233 -4.735 1.00 0.00 C ATOM 99 C VAL A 9 -1.517 -11.099 -4.583 1.00 0.00 C ATOM 100 O VAL A 9 -1.104 -10.787 -3.483 1.00 0.00 O ATOM 101 CB VAL A 9 -3.936 -11.763 -4.191 1.00 0.00 C ATOM 102 CG1 VAL A 9 -5.030 -12.771 -4.596 1.00 0.00 C ATOM 103 CG2 VAL A 9 -3.939 -11.656 -2.639 1.00 0.00 C ATOM 0 H VAL A 9 -1.550 -13.228 -3.135 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.639 -12.490 -5.790 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.133 -10.781 -4.622 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.994 -12.435 -4.213 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.076 -12.841 -5.683 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.795 -13.750 -4.179 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.921 -11.328 -2.299 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.712 -12.631 -2.207 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.186 -10.935 -2.323 1.00 0.00 H new ATOM 113 N VAL A 10 -1.140 -10.520 -5.697 1.00 0.00 N ATOM 114 CA VAL A 10 -0.145 -9.400 -5.692 1.00 0.00 C ATOM 115 C VAL A 10 -0.864 -8.045 -5.852 1.00 0.00 C ATOM 116 O VAL A 10 -1.110 -7.572 -6.944 1.00 0.00 O ATOM 117 CB VAL A 10 0.893 -9.659 -6.855 1.00 0.00 C ATOM 118 CG1 VAL A 10 1.647 -10.984 -6.585 1.00 0.00 C ATOM 119 CG2 VAL A 10 0.232 -9.783 -8.253 1.00 0.00 C ATOM 0 H VAL A 10 -1.484 -10.779 -6.622 1.00 0.00 H new ATOM 0 HA VAL A 10 0.388 -9.363 -4.742 1.00 0.00 H new ATOM 0 HB VAL A 10 1.559 -8.796 -6.865 1.00 0.00 H new ATOM 0 HG11 VAL A 10 2.364 -11.165 -7.386 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.176 -10.915 -5.634 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.933 -11.807 -6.544 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.001 -9.960 -9.005 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.471 -10.616 -8.250 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.299 -8.860 -8.488 1.00 0.00 H new ATOM 129 N LEU A 11 -1.191 -7.455 -4.730 1.00 0.00 N ATOM 130 CA LEU A 11 -1.897 -6.132 -4.733 1.00 0.00 C ATOM 131 C LEU A 11 -0.906 -4.966 -4.689 1.00 0.00 C ATOM 132 O LEU A 11 0.076 -5.025 -3.979 1.00 0.00 O ATOM 133 CB LEU A 11 -2.835 -6.030 -3.502 1.00 0.00 C ATOM 134 CG LEU A 11 -4.167 -6.832 -3.645 1.00 0.00 C ATOM 135 CD1 LEU A 11 -5.053 -6.217 -4.755 1.00 0.00 C ATOM 136 CD2 LEU A 11 -3.913 -8.315 -3.975 1.00 0.00 C ATOM 0 H LEU A 11 -0.998 -7.835 -3.803 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.472 -6.071 -5.657 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.301 -6.388 -2.622 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.073 -4.981 -3.326 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.677 -6.773 -2.684 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.977 -6.788 -4.841 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.288 -5.183 -4.502 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.519 -6.246 -5.705 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.866 -8.836 -4.066 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.367 -8.390 -4.916 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.325 -8.770 -3.177 1.00 0.00 H new ATOM 148 N LYS A 12 -1.222 -3.956 -5.464 1.00 0.00 N ATOM 149 CA LYS A 12 -0.392 -2.716 -5.563 1.00 0.00 C ATOM 150 C LYS A 12 -1.341 -1.531 -5.380 1.00 0.00 C ATOM 151 O LYS A 12 -2.081 -1.154 -6.268 1.00 0.00 O ATOM 152 CB LYS A 12 0.328 -2.610 -6.956 1.00 0.00 C ATOM 153 CG LYS A 12 -0.479 -3.225 -8.122 1.00 0.00 C ATOM 154 CD LYS A 12 -0.311 -4.768 -8.150 1.00 0.00 C ATOM 155 CE LYS A 12 1.113 -5.177 -8.584 1.00 0.00 C ATOM 156 NZ LYS A 12 1.212 -6.663 -8.618 1.00 0.00 N ATOM 0 H LYS A 12 -2.054 -3.942 -6.054 1.00 0.00 H new ATOM 0 HA LYS A 12 0.388 -2.730 -4.802 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.523 -1.560 -7.175 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.296 -3.108 -6.893 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.534 -2.971 -8.015 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -0.143 -2.800 -9.068 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.522 -5.175 -7.161 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.039 -5.201 -8.835 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.338 -4.764 -9.567 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.848 -4.768 -7.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.188 -6.951 -8.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.567 -7.070 -7.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 0.950 -7.007 -9.564 1.00 0.00 H new ATOM 170 N MET A 13 -1.267 -0.988 -4.194 1.00 0.00 N ATOM 171 CA MET A 13 -2.101 0.177 -3.783 1.00 0.00 C ATOM 172 C MET A 13 -1.220 1.427 -3.775 1.00 0.00 C ATOM 173 O MET A 13 -0.051 1.349 -3.449 1.00 0.00 O ATOM 174 CB MET A 13 -2.650 -0.134 -2.391 1.00 0.00 C ATOM 175 CG MET A 13 -3.422 -1.476 -2.435 1.00 0.00 C ATOM 176 SD MET A 13 -3.960 -2.191 -0.861 1.00 0.00 S ATOM 177 CE MET A 13 -5.600 -1.433 -0.761 1.00 0.00 C ATOM 0 H MET A 13 -0.636 -1.320 -3.465 1.00 0.00 H new ATOM 0 HA MET A 13 -2.930 0.356 -4.467 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.834 -0.194 -1.670 1.00 0.00 H new ATOM 0 HB3 MET A 13 -3.310 0.668 -2.060 1.00 0.00 H new ATOM 0 HG2 MET A 13 -4.305 -1.334 -3.058 1.00 0.00 H new ATOM 0 HG3 MET A 13 -2.791 -2.209 -2.938 1.00 0.00 H new ATOM 0 HE1 MET A 13 -6.163 -1.889 0.053 1.00 0.00 H new ATOM 0 HE2 MET A 13 -5.496 -0.364 -0.576 1.00 0.00 H new ATOM 0 HE3 MET A 13 -6.131 -1.589 -1.700 1.00 0.00 H new ATOM 187 N LYS A 14 -1.813 2.537 -4.132 1.00 0.00 N ATOM 188 CA LYS A 14 -1.054 3.821 -4.165 1.00 0.00 C ATOM 189 C LYS A 14 -1.661 4.860 -3.210 1.00 0.00 C ATOM 190 O LYS A 14 -2.494 5.660 -3.591 1.00 0.00 O ATOM 191 CB LYS A 14 -1.059 4.315 -5.613 1.00 0.00 C ATOM 192 CG LYS A 14 -0.136 5.553 -5.769 1.00 0.00 C ATOM 193 CD LYS A 14 -0.059 5.992 -7.252 1.00 0.00 C ATOM 194 CE LYS A 14 -1.410 6.544 -7.729 1.00 0.00 C ATOM 195 NZ LYS A 14 -1.315 6.938 -9.162 1.00 0.00 N ATOM 0 H LYS A 14 -2.794 2.609 -4.403 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.031 3.665 -3.824 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.723 3.518 -6.276 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.075 4.572 -5.912 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.514 6.374 -5.160 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.863 5.317 -5.402 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.712 6.753 -7.371 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.232 5.144 -7.872 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.187 5.791 -7.600 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.696 7.404 -7.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.232 7.311 -9.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.585 7.671 -9.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.061 6.108 -9.734 1.00 0.00 H new ATOM 209 N VAL A 15 -1.206 4.807 -1.981 1.00 0.00 N ATOM 210 CA VAL A 15 -1.683 5.745 -0.927 1.00 0.00 C ATOM 211 C VAL A 15 -1.382 7.197 -1.310 1.00 0.00 C ATOM 212 O VAL A 15 -0.604 7.463 -2.205 1.00 0.00 O ATOM 213 CB VAL A 15 -0.971 5.334 0.422 1.00 0.00 C ATOM 214 CG1 VAL A 15 -0.711 6.520 1.353 1.00 0.00 C ATOM 215 CG2 VAL A 15 -1.872 4.405 1.249 1.00 0.00 C ATOM 0 H VAL A 15 -0.508 4.136 -1.662 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.765 5.680 -0.811 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.036 4.870 0.106 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.220 6.169 2.261 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.069 7.244 0.850 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.658 6.993 1.612 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.363 4.134 2.174 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.805 4.918 1.485 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.089 3.503 0.676 1.00 0.00 H new ATOM 225 N GLU A 16 -2.035 8.077 -0.601 1.00 0.00 N ATOM 226 CA GLU A 16 -1.863 9.539 -0.823 1.00 0.00 C ATOM 227 C GLU A 16 -1.279 10.189 0.409 1.00 0.00 C ATOM 228 O GLU A 16 -1.417 9.713 1.518 1.00 0.00 O ATOM 229 CB GLU A 16 -3.219 10.176 -1.159 1.00 0.00 C ATOM 230 CG GLU A 16 -3.335 10.217 -2.691 1.00 0.00 C ATOM 231 CD GLU A 16 -3.315 8.798 -3.314 1.00 0.00 C ATOM 232 OE1 GLU A 16 -4.190 8.020 -2.971 1.00 0.00 O ATOM 233 OE2 GLU A 16 -2.418 8.564 -4.108 1.00 0.00 O ATOM 0 H GLU A 16 -2.695 7.837 0.139 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.178 9.692 -1.657 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.034 9.596 -0.727 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.286 11.180 -0.741 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.259 10.723 -2.971 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.513 10.804 -3.101 1.00 0.00 H new ATOM 240 N GLY A 17 -0.635 11.289 0.133 1.00 0.00 N ATOM 241 CA GLY A 17 0.023 12.087 1.197 1.00 0.00 C ATOM 242 C GLY A 17 -0.972 12.933 1.998 1.00 0.00 C ATOM 243 O GLY A 17 -0.561 13.864 2.660 1.00 0.00 O ATOM 0 H GLY A 17 -0.537 11.674 -0.807 1.00 0.00 H new ATOM 0 HA2 GLY A 17 0.552 11.417 1.874 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.770 12.740 0.747 1.00 0.00 H new ATOM 247 N MET A 18 -2.231 12.564 1.897 1.00 0.00 N ATOM 248 CA MET A 18 -3.383 13.236 2.585 1.00 0.00 C ATOM 249 C MET A 18 -3.688 14.567 1.881 1.00 0.00 C ATOM 250 O MET A 18 -4.733 14.743 1.287 1.00 0.00 O ATOM 251 CB MET A 18 -3.035 13.496 4.081 1.00 0.00 C ATOM 252 CG MET A 18 -4.273 13.992 4.844 1.00 0.00 C ATOM 253 SD MET A 18 -4.034 14.352 6.603 1.00 0.00 S ATOM 254 CE MET A 18 -3.657 12.660 7.124 1.00 0.00 C ATOM 0 H MET A 18 -2.521 11.770 1.326 1.00 0.00 H new ATOM 0 HA MET A 18 -4.259 12.589 2.537 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.662 12.579 4.538 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.237 14.235 4.152 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.638 14.895 4.355 1.00 0.00 H new ATOM 0 HG3 MET A 18 -5.057 13.241 4.751 1.00 0.00 H new ATOM 0 HE1 MET A 18 -4.196 12.434 8.044 1.00 0.00 H new ATOM 0 HE2 MET A 18 -3.963 11.963 6.344 1.00 0.00 H new ATOM 0 HE3 MET A 18 -2.585 12.563 7.298 1.00 0.00 H new ATOM 264 N THR A 19 -2.736 15.453 1.986 1.00 0.00 N ATOM 265 CA THR A 19 -2.809 16.815 1.386 1.00 0.00 C ATOM 266 C THR A 19 -1.385 17.398 1.403 1.00 0.00 C ATOM 267 O THR A 19 -0.987 18.111 0.501 1.00 0.00 O ATOM 268 CB THR A 19 -3.793 17.656 2.238 1.00 0.00 C ATOM 269 OG1 THR A 19 -3.684 18.985 1.749 1.00 0.00 O ATOM 270 CG2 THR A 19 -3.364 17.713 3.720 1.00 0.00 C ATOM 0 H THR A 19 -1.867 15.277 2.490 1.00 0.00 H new ATOM 0 HA THR A 19 -3.171 16.807 0.358 1.00 0.00 H new ATOM 0 HB THR A 19 -4.791 17.222 2.172 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.289 19.569 2.252 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.080 18.312 4.283 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.334 16.703 4.129 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.375 18.164 3.795 1.00 0.00 H new ATOM 278 N CYS A 20 -0.675 17.056 2.450 1.00 0.00 N ATOM 279 CA CYS A 20 0.731 17.510 2.665 1.00 0.00 C ATOM 280 C CYS A 20 1.291 16.781 3.894 1.00 0.00 C ATOM 281 O CYS A 20 2.431 16.357 3.905 1.00 0.00 O ATOM 282 CB CYS A 20 0.761 19.030 2.916 1.00 0.00 C ATOM 283 SG CYS A 20 2.373 19.781 3.253 1.00 0.00 S ATOM 0 H CYS A 20 -1.030 16.455 3.194 1.00 0.00 H new ATOM 0 HA CYS A 20 1.331 17.287 1.783 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.333 19.525 2.044 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.105 19.246 3.759 1.00 0.00 H new ATOM 0 HG CYS A 20 2.226 21.059 3.439 1.00 0.00 H new ATOM 288 N HIS A 21 0.450 16.664 4.891 1.00 0.00 N ATOM 289 CA HIS A 21 0.830 15.982 6.168 1.00 0.00 C ATOM 290 C HIS A 21 0.762 14.460 5.995 1.00 0.00 C ATOM 291 O HIS A 21 -0.152 13.958 5.369 1.00 0.00 O ATOM 292 CB HIS A 21 -0.138 16.428 7.273 1.00 0.00 C ATOM 293 CG HIS A 21 -0.143 17.957 7.342 1.00 0.00 C ATOM 294 ND1 HIS A 21 0.778 18.682 7.886 1.00 0.00 N ATOM 295 CD2 HIS A 21 -1.066 18.872 6.871 1.00 0.00 C ATOM 296 CE1 HIS A 21 0.469 19.934 7.771 1.00 0.00 C ATOM 297 NE2 HIS A 21 -0.670 20.099 7.145 1.00 0.00 N ATOM 0 H HIS A 21 -0.506 17.020 4.873 1.00 0.00 H new ATOM 0 HA HIS A 21 1.851 16.253 6.439 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -1.142 16.057 7.067 1.00 0.00 H new ATOM 0 HB3 HIS A 21 0.166 16.009 8.232 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -1.979 18.618 6.353 1.00 0.00 H new ATOM 0 HE1 HIS A 21 1.077 20.744 8.146 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -1.142 20.975 6.921 1.00 0.00 H new ATOM 305 N SER A 22 1.726 13.772 6.556 1.00 0.00 N ATOM 306 CA SER A 22 1.752 12.280 6.447 1.00 0.00 C ATOM 307 C SER A 22 2.298 11.596 7.708 1.00 0.00 C ATOM 308 O SER A 22 2.972 12.202 8.518 1.00 0.00 O ATOM 309 CB SER A 22 2.613 11.882 5.233 1.00 0.00 C ATOM 310 OG SER A 22 3.882 12.477 5.468 1.00 0.00 O ATOM 0 H SER A 22 2.497 14.180 7.085 1.00 0.00 H new ATOM 0 HA SER A 22 0.722 11.944 6.325 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.696 10.799 5.146 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.174 12.244 4.303 1.00 0.00 H new ATOM 0 HG SER A 22 4.487 12.261 4.728 1.00 0.00 H new ATOM 316 N CYS A 23 1.968 10.333 7.809 1.00 0.00 N ATOM 317 CA CYS A 23 2.393 9.474 8.960 1.00 0.00 C ATOM 318 C CYS A 23 2.418 8.022 8.448 1.00 0.00 C ATOM 319 O CYS A 23 2.088 7.089 9.155 1.00 0.00 O ATOM 320 CB CYS A 23 1.370 9.639 10.101 1.00 0.00 C ATOM 321 SG CYS A 23 1.697 8.761 11.651 1.00 0.00 S ATOM 0 H CYS A 23 1.401 9.844 7.116 1.00 0.00 H new ATOM 0 HA CYS A 23 3.376 9.751 9.341 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.287 10.702 10.328 1.00 0.00 H new ATOM 0 HB3 CYS A 23 0.397 9.316 9.730 1.00 0.00 H new ATOM 0 HG CYS A 23 2.027 7.531 11.391 1.00 0.00 H new ATOM 326 N THR A 24 2.822 7.892 7.210 1.00 0.00 N ATOM 327 CA THR A 24 2.899 6.551 6.558 1.00 0.00 C ATOM 328 C THR A 24 4.056 5.664 7.047 1.00 0.00 C ATOM 329 O THR A 24 4.159 4.523 6.641 1.00 0.00 O ATOM 330 CB THR A 24 3.023 6.745 5.033 1.00 0.00 C ATOM 331 OG1 THR A 24 4.257 7.422 4.833 1.00 0.00 O ATOM 332 CG2 THR A 24 1.962 7.710 4.463 1.00 0.00 C ATOM 0 H THR A 24 3.106 8.671 6.615 1.00 0.00 H new ATOM 0 HA THR A 24 1.983 6.027 6.832 1.00 0.00 H new ATOM 0 HB THR A 24 2.923 5.771 4.555 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.395 7.574 3.875 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.099 7.807 3.386 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.966 7.318 4.668 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.070 8.688 4.932 1.00 0.00 H new ATOM 340 N SER A 25 4.896 6.198 7.897 1.00 0.00 N ATOM 341 CA SER A 25 6.049 5.396 8.420 1.00 0.00 C ATOM 342 C SER A 25 5.500 4.198 9.212 1.00 0.00 C ATOM 343 O SER A 25 6.045 3.112 9.166 1.00 0.00 O ATOM 344 CB SER A 25 6.902 6.298 9.327 1.00 0.00 C ATOM 345 OG SER A 25 7.985 5.472 9.734 1.00 0.00 O ATOM 0 H SER A 25 4.836 7.152 8.252 1.00 0.00 H new ATOM 0 HA SER A 25 6.667 5.025 7.602 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.255 7.179 8.791 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.330 6.653 10.184 1.00 0.00 H new ATOM 0 HG SER A 25 8.582 5.981 10.321 1.00 0.00 H new ATOM 351 N THR A 26 4.425 4.457 9.913 1.00 0.00 N ATOM 352 CA THR A 26 3.759 3.409 10.740 1.00 0.00 C ATOM 353 C THR A 26 3.156 2.312 9.851 1.00 0.00 C ATOM 354 O THR A 26 3.157 1.153 10.216 1.00 0.00 O ATOM 355 CB THR A 26 2.642 4.067 11.587 1.00 0.00 C ATOM 356 OG1 THR A 26 1.780 4.701 10.650 1.00 0.00 O ATOM 357 CG2 THR A 26 3.188 5.222 12.449 1.00 0.00 C ATOM 0 H THR A 26 3.973 5.371 9.946 1.00 0.00 H new ATOM 0 HA THR A 26 4.502 2.950 11.392 1.00 0.00 H new ATOM 0 HB THR A 26 2.181 3.310 12.222 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.133 5.588 10.428 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.375 5.659 13.029 1.00 0.00 H new ATOM 0 HG22 THR A 26 3.953 4.841 13.126 1.00 0.00 H new ATOM 0 HG23 THR A 26 3.623 5.984 11.803 1.00 0.00 H new ATOM 365 N ILE A 27 2.665 2.724 8.707 1.00 0.00 N ATOM 366 CA ILE A 27 2.041 1.772 7.735 1.00 0.00 C ATOM 367 C ILE A 27 3.015 0.656 7.337 1.00 0.00 C ATOM 368 O ILE A 27 2.621 -0.484 7.201 1.00 0.00 O ATOM 369 CB ILE A 27 1.593 2.574 6.478 1.00 0.00 C ATOM 370 CG1 ILE A 27 0.506 3.608 6.903 1.00 0.00 C ATOM 371 CG2 ILE A 27 1.051 1.608 5.396 1.00 0.00 C ATOM 372 CD1 ILE A 27 0.069 4.481 5.711 1.00 0.00 C ATOM 0 H ILE A 27 2.671 3.697 8.401 1.00 0.00 H new ATOM 0 HA ILE A 27 1.181 1.295 8.205 1.00 0.00 H new ATOM 0 HB ILE A 27 2.443 3.107 6.051 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.359 3.084 7.309 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.896 4.243 7.698 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.740 2.179 4.521 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.834 0.905 5.111 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.197 1.059 5.793 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.689 5.192 6.039 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.931 5.024 5.322 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.344 3.846 4.927 1.00 0.00 H new ATOM 384 N GLU A 28 4.258 1.021 7.164 1.00 0.00 N ATOM 385 CA GLU A 28 5.310 0.046 6.773 1.00 0.00 C ATOM 386 C GLU A 28 5.334 -1.198 7.686 1.00 0.00 C ATOM 387 O GLU A 28 5.011 -2.291 7.260 1.00 0.00 O ATOM 388 CB GLU A 28 6.646 0.806 6.821 1.00 0.00 C ATOM 389 CG GLU A 28 7.714 0.098 5.976 1.00 0.00 C ATOM 390 CD GLU A 28 7.998 -1.328 6.495 1.00 0.00 C ATOM 391 OE1 GLU A 28 8.560 -1.415 7.574 1.00 0.00 O ATOM 392 OE2 GLU A 28 7.632 -2.250 5.782 1.00 0.00 O ATOM 0 H GLU A 28 4.592 1.978 7.281 1.00 0.00 H new ATOM 0 HA GLU A 28 5.111 -0.342 5.774 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.503 1.823 6.455 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.987 0.884 7.853 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.384 0.049 4.938 1.00 0.00 H new ATOM 0 HG3 GLU A 28 8.635 0.681 5.990 1.00 0.00 H new ATOM 399 N GLY A 29 5.719 -0.973 8.915 1.00 0.00 N ATOM 400 CA GLY A 29 5.804 -2.076 9.922 1.00 0.00 C ATOM 401 C GLY A 29 4.448 -2.617 10.394 1.00 0.00 C ATOM 402 O GLY A 29 4.376 -3.743 10.848 1.00 0.00 O ATOM 0 H GLY A 29 5.983 -0.054 9.271 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.379 -2.897 9.494 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.359 -1.717 10.789 1.00 0.00 H new ATOM 406 N LYS A 30 3.418 -1.817 10.276 1.00 0.00 N ATOM 407 CA LYS A 30 2.056 -2.260 10.715 1.00 0.00 C ATOM 408 C LYS A 30 1.551 -3.331 9.748 1.00 0.00 C ATOM 409 O LYS A 30 1.112 -4.393 10.142 1.00 0.00 O ATOM 410 CB LYS A 30 1.113 -1.032 10.716 1.00 0.00 C ATOM 411 CG LYS A 30 -0.341 -1.414 11.116 1.00 0.00 C ATOM 412 CD LYS A 30 -0.422 -2.041 12.537 1.00 0.00 C ATOM 413 CE LYS A 30 0.111 -1.070 13.615 1.00 0.00 C ATOM 414 NZ LYS A 30 -0.649 0.212 13.578 1.00 0.00 N ATOM 0 H LYS A 30 3.461 -0.872 9.893 1.00 0.00 H new ATOM 0 HA LYS A 30 2.089 -2.682 11.720 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.495 -0.282 11.409 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.109 -0.577 9.725 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.970 -0.525 11.078 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.741 -2.119 10.388 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.456 -2.304 12.762 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.155 -2.966 12.561 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.021 -1.526 14.601 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.171 -0.877 13.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.426 0.772 14.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.383 0.749 12.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.669 0.010 13.555 1.00 0.00 H new ATOM 428 N ILE A 31 1.649 -2.980 8.495 1.00 0.00 N ATOM 429 CA ILE A 31 1.213 -3.882 7.395 1.00 0.00 C ATOM 430 C ILE A 31 2.185 -5.071 7.286 1.00 0.00 C ATOM 431 O ILE A 31 1.810 -6.143 6.853 1.00 0.00 O ATOM 432 CB ILE A 31 1.175 -3.035 6.095 1.00 0.00 C ATOM 433 CG1 ILE A 31 0.113 -1.888 6.206 1.00 0.00 C ATOM 434 CG2 ILE A 31 0.882 -3.911 4.871 1.00 0.00 C ATOM 435 CD1 ILE A 31 -1.335 -2.413 6.370 1.00 0.00 C ATOM 0 H ILE A 31 2.022 -2.084 8.182 1.00 0.00 H new ATOM 0 HA ILE A 31 0.223 -4.300 7.581 1.00 0.00 H new ATOM 0 HB ILE A 31 2.160 -2.586 5.966 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.361 -1.253 7.056 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.168 -1.263 5.315 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.862 -3.290 3.976 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.660 -4.667 4.770 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.084 -4.399 4.996 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.022 -1.570 6.441 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.600 -3.025 5.508 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.404 -3.014 7.277 1.00 0.00 H new ATOM 447 N GLY A 32 3.410 -4.836 7.690 1.00 0.00 N ATOM 448 CA GLY A 32 4.461 -5.888 7.648 1.00 0.00 C ATOM 449 C GLY A 32 4.252 -6.906 8.774 1.00 0.00 C ATOM 450 O GLY A 32 4.863 -7.957 8.783 1.00 0.00 O ATOM 0 H GLY A 32 3.727 -3.938 8.054 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.437 -6.395 6.683 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.445 -5.430 7.743 1.00 0.00 H new ATOM 454 N LYS A 33 3.386 -6.548 9.687 1.00 0.00 N ATOM 455 CA LYS A 33 3.067 -7.416 10.850 1.00 0.00 C ATOM 456 C LYS A 33 1.816 -8.275 10.584 1.00 0.00 C ATOM 457 O LYS A 33 1.391 -9.030 11.440 1.00 0.00 O ATOM 458 CB LYS A 33 2.852 -6.516 12.065 1.00 0.00 C ATOM 459 CG LYS A 33 3.019 -7.288 13.404 1.00 0.00 C ATOM 460 CD LYS A 33 4.471 -7.209 13.978 1.00 0.00 C ATOM 461 CE LYS A 33 5.557 -7.791 13.037 1.00 0.00 C ATOM 462 NZ LYS A 33 5.855 -6.857 11.911 1.00 0.00 N ATOM 0 H LYS A 33 2.875 -5.665 9.670 1.00 0.00 H new ATOM 0 HA LYS A 33 3.893 -8.105 11.029 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.562 -5.689 12.033 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.854 -6.081 12.021 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.322 -6.885 14.139 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.752 -8.333 13.250 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.710 -6.167 14.190 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.504 -7.743 14.928 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.468 -7.983 13.604 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.221 -8.749 12.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.571 -7.296 11.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.327 -5.971 12.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.874 -6.652 11.890 1.00 0.00 H new ATOM 476 N LEU A 34 1.260 -8.143 9.407 1.00 0.00 N ATOM 477 CA LEU A 34 0.053 -8.911 9.038 1.00 0.00 C ATOM 478 C LEU A 34 0.378 -10.374 8.746 1.00 0.00 C ATOM 479 O LEU A 34 1.296 -10.666 8.004 1.00 0.00 O ATOM 480 CB LEU A 34 -0.575 -8.247 7.810 1.00 0.00 C ATOM 481 CG LEU A 34 -1.073 -6.808 8.115 1.00 0.00 C ATOM 482 CD1 LEU A 34 -1.649 -6.206 6.817 1.00 0.00 C ATOM 483 CD2 LEU A 34 -2.179 -6.811 9.197 1.00 0.00 C ATOM 0 H LEU A 34 1.606 -7.520 8.677 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.645 -8.906 9.875 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.156 -8.214 7.003 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.410 -8.852 7.458 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.234 -6.219 8.485 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.004 -5.194 7.012 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.872 -6.177 6.053 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.478 -6.821 6.468 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.505 -5.788 9.387 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.026 -7.404 8.850 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.786 -7.243 10.117 1.00 0.00 H new ATOM 495 N GLN A 35 -0.391 -11.249 9.343 1.00 0.00 N ATOM 496 CA GLN A 35 -0.181 -12.707 9.142 1.00 0.00 C ATOM 497 C GLN A 35 -0.854 -13.185 7.863 1.00 0.00 C ATOM 498 O GLN A 35 -1.743 -12.550 7.332 1.00 0.00 O ATOM 499 CB GLN A 35 -0.757 -13.493 10.331 1.00 0.00 C ATOM 500 CG GLN A 35 0.012 -13.146 11.610 1.00 0.00 C ATOM 501 CD GLN A 35 1.497 -13.513 11.471 1.00 0.00 C ATOM 502 OE1 GLN A 35 2.349 -12.659 11.318 1.00 0.00 O ATOM 503 NE2 GLN A 35 1.845 -14.769 11.519 1.00 0.00 N ATOM 0 H GLN A 35 -1.162 -11.009 9.966 1.00 0.00 H new ATOM 0 HA GLN A 35 0.892 -12.881 9.065 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.814 -13.256 10.456 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.691 -14.563 10.136 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.086 -12.081 11.821 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.421 -13.679 12.456 1.00 0.00 H new ATOM 0 HE21 GLN A 35 1.135 -15.490 11.647 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.827 -15.030 11.428 1.00 0.00 H new ATOM 512 N GLY A 36 -0.381 -14.316 7.424 1.00 0.00 N ATOM 513 CA GLY A 36 -0.905 -14.954 6.183 1.00 0.00 C ATOM 514 C GLY A 36 -0.461 -14.164 4.944 1.00 0.00 C ATOM 515 O GLY A 36 -0.939 -14.394 3.850 1.00 0.00 O ATOM 0 H GLY A 36 0.365 -14.838 7.884 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.545 -15.981 6.115 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.993 -14.999 6.222 1.00 0.00 H new ATOM 519 N VAL A 37 0.449 -13.254 5.180 1.00 0.00 N ATOM 520 CA VAL A 37 1.006 -12.388 4.109 1.00 0.00 C ATOM 521 C VAL A 37 2.296 -13.020 3.601 1.00 0.00 C ATOM 522 O VAL A 37 3.021 -13.645 4.353 1.00 0.00 O ATOM 523 CB VAL A 37 1.250 -10.970 4.709 1.00 0.00 C ATOM 524 CG1 VAL A 37 2.069 -10.098 3.749 1.00 0.00 C ATOM 525 CG2 VAL A 37 -0.122 -10.313 4.871 1.00 0.00 C ATOM 0 H VAL A 37 0.839 -13.074 6.105 1.00 0.00 H new ATOM 0 HA VAL A 37 0.321 -12.292 3.267 1.00 0.00 H new ATOM 0 HB VAL A 37 1.791 -11.062 5.651 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.224 -9.115 4.193 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.034 -10.569 3.564 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.531 -9.990 2.807 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.000 -9.314 5.290 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.608 -10.242 3.898 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.737 -10.915 5.541 1.00 0.00 H new ATOM 535 N GLN A 38 2.540 -12.831 2.329 1.00 0.00 N ATOM 536 CA GLN A 38 3.762 -13.397 1.705 1.00 0.00 C ATOM 537 C GLN A 38 4.817 -12.287 1.708 1.00 0.00 C ATOM 538 O GLN A 38 5.645 -12.216 2.594 1.00 0.00 O ATOM 539 CB GLN A 38 3.414 -13.868 0.251 1.00 0.00 C ATOM 540 CG GLN A 38 2.276 -14.913 0.240 1.00 0.00 C ATOM 541 CD GLN A 38 2.637 -16.111 1.120 1.00 0.00 C ATOM 542 OE1 GLN A 38 2.324 -16.054 2.384 1.00 0.00 O flip ATOM 543 NE2 GLN A 38 3.196 -17.093 0.674 1.00 0.00 N flip ATOM 0 H GLN A 38 1.938 -12.304 1.696 1.00 0.00 H new ATOM 0 HA GLN A 38 4.145 -14.262 2.247 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.121 -13.007 -0.349 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.303 -14.294 -0.215 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.353 -14.457 0.598 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.092 -15.247 -0.781 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.440 -17.136 -0.315 1.00 0.00 H new ATOM 0 HE22 GLN A 38 3.421 -17.875 1.289 1.00 0.00 H new ATOM 552 N ARG A 39 4.733 -11.457 0.703 1.00 0.00 N ATOM 553 CA ARG A 39 5.682 -10.312 0.540 1.00 0.00 C ATOM 554 C ARG A 39 5.024 -9.036 1.073 1.00 0.00 C ATOM 555 O ARG A 39 3.819 -8.968 1.213 1.00 0.00 O ATOM 556 CB ARG A 39 6.031 -10.161 -0.965 1.00 0.00 C ATOM 557 CG ARG A 39 7.183 -9.154 -1.264 1.00 0.00 C ATOM 558 CD ARG A 39 8.556 -9.640 -0.731 1.00 0.00 C ATOM 559 NE ARG A 39 8.633 -9.450 0.752 1.00 0.00 N ATOM 560 CZ ARG A 39 8.958 -8.298 1.286 1.00 0.00 C ATOM 561 NH1 ARG A 39 9.229 -7.264 0.535 1.00 0.00 N ATOM 562 NH2 ARG A 39 8.999 -8.218 2.586 1.00 0.00 N ATOM 0 H ARG A 39 4.029 -11.525 -0.032 1.00 0.00 H new ATOM 0 HA ARG A 39 6.599 -10.493 1.100 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.308 -11.138 -1.360 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.138 -9.841 -1.502 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.251 -8.995 -2.340 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.944 -8.190 -0.814 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.698 -10.692 -0.978 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.359 -9.087 -1.218 1.00 0.00 H new ATOM 0 HE ARG A 39 8.427 -10.239 1.364 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.189 -7.347 -0.481 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.480 -6.374 0.964 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.782 -9.037 3.154 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.248 -7.337 3.035 1.00 0.00 H new ATOM 576 N ILE A 40 5.849 -8.066 1.353 1.00 0.00 N ATOM 577 CA ILE A 40 5.372 -6.759 1.871 1.00 0.00 C ATOM 578 C ILE A 40 6.461 -5.729 1.578 1.00 0.00 C ATOM 579 O ILE A 40 7.515 -5.718 2.184 1.00 0.00 O ATOM 580 CB ILE A 40 5.073 -6.908 3.401 1.00 0.00 C ATOM 581 CG1 ILE A 40 4.575 -5.550 4.020 1.00 0.00 C ATOM 582 CG2 ILE A 40 6.253 -7.528 4.200 1.00 0.00 C ATOM 583 CD1 ILE A 40 5.701 -4.627 4.542 1.00 0.00 C ATOM 0 H ILE A 40 6.861 -8.130 1.240 1.00 0.00 H new ATOM 0 HA ILE A 40 4.449 -6.430 1.394 1.00 0.00 H new ATOM 0 HB ILE A 40 4.259 -7.627 3.490 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.002 -5.011 3.266 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.893 -5.769 4.842 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.980 -7.603 5.253 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.474 -8.522 3.811 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.134 -6.894 4.098 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.264 -3.716 4.950 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.261 -5.142 5.322 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.372 -4.372 3.722 1.00 0.00 H new ATOM 595 N LYS A 41 6.153 -4.887 0.628 1.00 0.00 N ATOM 596 CA LYS A 41 7.099 -3.812 0.211 1.00 0.00 C ATOM 597 C LYS A 41 6.333 -2.510 0.000 1.00 0.00 C ATOM 598 O LYS A 41 5.132 -2.525 -0.181 1.00 0.00 O ATOM 599 CB LYS A 41 7.791 -4.250 -1.069 1.00 0.00 C ATOM 600 CG LYS A 41 6.763 -4.533 -2.165 1.00 0.00 C ATOM 601 CD LYS A 41 7.499 -4.831 -3.464 1.00 0.00 C ATOM 602 CE LYS A 41 7.906 -6.320 -3.582 1.00 0.00 C ATOM 603 NZ LYS A 41 8.869 -6.706 -2.515 1.00 0.00 N ATOM 0 H LYS A 41 5.271 -4.899 0.115 1.00 0.00 H new ATOM 0 HA LYS A 41 7.849 -3.641 0.983 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.480 -3.473 -1.401 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.385 -5.144 -0.880 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.136 -5.379 -1.884 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.103 -3.675 -2.294 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.864 -4.562 -4.308 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.391 -4.207 -3.525 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.017 -6.948 -3.517 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.353 -6.500 -4.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.351 -7.587 -2.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.572 -5.950 -2.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.357 -6.851 -1.621 1.00 0.00 H new ATOM 617 N VAL A 42 7.057 -1.422 0.035 1.00 0.00 N ATOM 618 CA VAL A 42 6.427 -0.083 -0.155 1.00 0.00 C ATOM 619 C VAL A 42 7.317 0.810 -1.021 1.00 0.00 C ATOM 620 O VAL A 42 8.527 0.689 -1.015 1.00 0.00 O ATOM 621 CB VAL A 42 6.212 0.567 1.235 1.00 0.00 C ATOM 622 CG1 VAL A 42 5.596 1.973 1.085 1.00 0.00 C ATOM 623 CG2 VAL A 42 5.263 -0.297 2.102 1.00 0.00 C ATOM 0 H VAL A 42 8.065 -1.404 0.188 1.00 0.00 H new ATOM 0 HA VAL A 42 5.469 -0.200 -0.662 1.00 0.00 H new ATOM 0 HB VAL A 42 7.186 0.640 1.719 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.452 2.414 2.071 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.266 2.603 0.500 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.634 1.897 0.578 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.125 0.177 3.074 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.298 -0.390 1.604 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.697 -1.287 2.240 1.00 0.00 H new ATOM 633 N SER A 43 6.657 1.682 -1.739 1.00 0.00 N ATOM 634 CA SER A 43 7.356 2.643 -2.645 1.00 0.00 C ATOM 635 C SER A 43 7.211 4.052 -2.049 1.00 0.00 C ATOM 636 O SER A 43 6.167 4.406 -1.534 1.00 0.00 O ATOM 637 CB SER A 43 6.711 2.561 -4.042 1.00 0.00 C ATOM 638 OG SER A 43 7.352 3.574 -4.806 1.00 0.00 O ATOM 0 H SER A 43 5.641 1.770 -1.735 1.00 0.00 H new ATOM 0 HA SER A 43 8.415 2.405 -2.740 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.860 1.578 -4.488 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.635 2.728 -3.990 1.00 0.00 H new ATOM 0 HG SER A 43 6.988 3.577 -5.716 1.00 0.00 H new ATOM 644 N LEU A 44 8.284 4.798 -2.151 1.00 0.00 N ATOM 645 CA LEU A 44 8.350 6.204 -1.630 1.00 0.00 C ATOM 646 C LEU A 44 7.144 7.017 -2.136 1.00 0.00 C ATOM 647 O LEU A 44 6.635 7.862 -1.427 1.00 0.00 O ATOM 648 CB LEU A 44 9.689 6.816 -2.120 1.00 0.00 C ATOM 649 CG LEU A 44 10.300 7.851 -1.125 1.00 0.00 C ATOM 650 CD1 LEU A 44 11.654 8.338 -1.686 1.00 0.00 C ATOM 651 CD2 LEU A 44 9.392 9.077 -0.900 1.00 0.00 C ATOM 0 H LEU A 44 9.148 4.480 -2.589 1.00 0.00 H new ATOM 0 HA LEU A 44 8.311 6.220 -0.541 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.408 6.013 -2.284 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.527 7.301 -3.083 1.00 0.00 H new ATOM 0 HG LEU A 44 10.416 7.349 -0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 44 12.093 9.063 -1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 44 12.328 7.489 -1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 44 11.498 8.807 -2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.871 9.761 -0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.228 9.587 -1.849 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.435 8.751 -0.493 1.00 0.00 H new ATOM 663 N ASP A 45 6.737 6.721 -3.347 1.00 0.00 N ATOM 664 CA ASP A 45 5.578 7.410 -4.001 1.00 0.00 C ATOM 665 C ASP A 45 4.316 7.354 -3.113 1.00 0.00 C ATOM 666 O ASP A 45 3.491 6.477 -3.264 1.00 0.00 O ATOM 667 CB ASP A 45 5.349 6.710 -5.367 1.00 0.00 C ATOM 668 CG ASP A 45 4.080 7.242 -6.062 1.00 0.00 C ATOM 669 OD1 ASP A 45 4.096 8.409 -6.419 1.00 0.00 O ATOM 670 OD2 ASP A 45 3.163 6.447 -6.196 1.00 0.00 O ATOM 0 H ASP A 45 7.175 6.006 -3.928 1.00 0.00 H new ATOM 0 HA ASP A 45 5.792 8.469 -4.148 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.214 6.872 -6.011 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.260 5.634 -5.217 1.00 0.00 H new ATOM 675 N ASN A 46 4.216 8.304 -2.212 1.00 0.00 N ATOM 676 CA ASN A 46 3.055 8.395 -1.265 1.00 0.00 C ATOM 677 C ASN A 46 2.666 7.000 -0.733 1.00 0.00 C ATOM 678 O ASN A 46 1.561 6.534 -0.929 1.00 0.00 O ATOM 679 CB ASN A 46 1.869 9.049 -2.015 1.00 0.00 C ATOM 680 CG ASN A 46 2.263 10.454 -2.482 1.00 0.00 C ATOM 681 OD1 ASN A 46 1.850 11.485 -1.797 1.00 0.00 O flip ATOM 682 ND2 ASN A 46 2.948 10.623 -3.471 1.00 0.00 N flip ATOM 0 H ASN A 46 4.911 9.041 -2.090 1.00 0.00 H new ATOM 0 HA ASN A 46 3.329 9.002 -0.402 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.586 8.437 -2.871 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.999 9.104 -1.361 1.00 0.00 H new ATOM 0 HD21 ASN A 46 3.273 9.820 -4.009 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.198 11.568 -3.763 1.00 0.00 H new ATOM 689 N GLN A 47 3.614 6.382 -0.069 1.00 0.00 N ATOM 690 CA GLN A 47 3.440 5.022 0.526 1.00 0.00 C ATOM 691 C GLN A 47 2.692 4.078 -0.432 1.00 0.00 C ATOM 692 O GLN A 47 1.751 3.403 -0.066 1.00 0.00 O ATOM 693 CB GLN A 47 2.689 5.234 1.845 1.00 0.00 C ATOM 694 CG GLN A 47 2.626 3.959 2.742 1.00 0.00 C ATOM 695 CD GLN A 47 3.956 3.702 3.477 1.00 0.00 C ATOM 696 OE1 GLN A 47 4.895 4.471 3.410 1.00 0.00 O ATOM 697 NE2 GLN A 47 4.072 2.620 4.198 1.00 0.00 N ATOM 0 H GLN A 47 4.538 6.784 0.090 1.00 0.00 H new ATOM 0 HA GLN A 47 4.400 4.537 0.705 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.172 6.037 2.403 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.674 5.564 1.626 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.824 4.069 3.472 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.380 3.094 2.126 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.293 1.965 4.264 1.00 0.00 H new ATOM 0 HE22 GLN A 47 4.942 2.429 4.695 1.00 0.00 H new ATOM 706 N GLU A 48 3.162 4.075 -1.653 1.00 0.00 N ATOM 707 CA GLU A 48 2.545 3.209 -2.704 1.00 0.00 C ATOM 708 C GLU A 48 3.020 1.797 -2.368 1.00 0.00 C ATOM 709 O GLU A 48 4.044 1.320 -2.818 1.00 0.00 O ATOM 710 CB GLU A 48 3.040 3.726 -4.072 1.00 0.00 C ATOM 711 CG GLU A 48 2.688 2.770 -5.227 1.00 0.00 C ATOM 712 CD GLU A 48 3.176 3.411 -6.540 1.00 0.00 C ATOM 713 OE1 GLU A 48 4.385 3.496 -6.693 1.00 0.00 O ATOM 714 OE2 GLU A 48 2.313 3.784 -7.318 1.00 0.00 O ATOM 0 H GLU A 48 3.951 4.638 -1.969 1.00 0.00 H new ATOM 0 HA GLU A 48 1.456 3.220 -2.743 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.601 4.704 -4.268 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.121 3.864 -4.035 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.162 1.800 -5.077 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.613 2.597 -5.264 1.00 0.00 H new ATOM 721 N ALA A 49 2.202 1.184 -1.558 1.00 0.00 N ATOM 722 CA ALA A 49 2.460 -0.198 -1.074 1.00 0.00 C ATOM 723 C ALA A 49 2.073 -1.298 -2.061 1.00 0.00 C ATOM 724 O ALA A 49 1.118 -1.150 -2.794 1.00 0.00 O ATOM 725 CB ALA A 49 1.687 -0.351 0.225 1.00 0.00 C ATOM 0 H ALA A 49 1.340 1.598 -1.202 1.00 0.00 H new ATOM 0 HA ALA A 49 3.535 -0.323 -0.940 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.842 -1.353 0.625 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.039 0.386 0.947 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.625 -0.196 0.037 1.00 0.00 H new ATOM 731 N THR A 50 2.834 -2.366 -2.052 1.00 0.00 N ATOM 732 CA THR A 50 2.560 -3.518 -2.959 1.00 0.00 C ATOM 733 C THR A 50 2.780 -4.806 -2.151 1.00 0.00 C ATOM 734 O THR A 50 3.790 -5.473 -2.262 1.00 0.00 O ATOM 735 CB THR A 50 3.519 -3.431 -4.155 1.00 0.00 C ATOM 736 OG1 THR A 50 3.151 -2.231 -4.820 1.00 0.00 O ATOM 737 CG2 THR A 50 3.240 -4.554 -5.188 1.00 0.00 C ATOM 0 H THR A 50 3.644 -2.487 -1.445 1.00 0.00 H new ATOM 0 HA THR A 50 1.539 -3.508 -3.340 1.00 0.00 H new ATOM 0 HB THR A 50 4.551 -3.493 -3.810 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.725 -2.102 -5.604 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.936 -4.463 -6.022 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.369 -5.526 -4.712 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.218 -4.463 -5.557 1.00 0.00 H new ATOM 745 N ILE A 51 1.794 -5.107 -1.347 1.00 0.00 N ATOM 746 CA ILE A 51 1.838 -6.326 -0.482 1.00 0.00 C ATOM 747 C ILE A 51 1.266 -7.543 -1.216 1.00 0.00 C ATOM 748 O ILE A 51 0.244 -7.455 -1.869 1.00 0.00 O ATOM 749 CB ILE A 51 1.001 -6.090 0.815 1.00 0.00 C ATOM 750 CG1 ILE A 51 1.674 -5.113 1.784 1.00 0.00 C ATOM 751 CG2 ILE A 51 0.843 -7.400 1.618 1.00 0.00 C ATOM 752 CD1 ILE A 51 1.921 -3.745 1.184 1.00 0.00 C ATOM 0 H ILE A 51 0.945 -4.550 -1.251 1.00 0.00 H new ATOM 0 HA ILE A 51 2.881 -6.517 -0.230 1.00 0.00 H new ATOM 0 HB ILE A 51 0.048 -5.695 0.464 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.050 -5.005 2.671 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.624 -5.535 2.112 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.256 -7.208 2.516 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.334 -8.144 1.005 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.827 -7.774 1.901 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.400 -3.104 1.924 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.570 -3.841 0.314 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.971 -3.303 0.882 1.00 0.00 H new ATOM 764 N VAL A 52 1.963 -8.639 -1.074 1.00 0.00 N ATOM 765 CA VAL A 52 1.549 -9.915 -1.702 1.00 0.00 C ATOM 766 C VAL A 52 1.075 -10.735 -0.515 1.00 0.00 C ATOM 767 O VAL A 52 1.731 -10.762 0.508 1.00 0.00 O ATOM 768 CB VAL A 52 2.734 -10.608 -2.365 1.00 0.00 C ATOM 769 CG1 VAL A 52 2.272 -11.945 -2.969 1.00 0.00 C ATOM 770 CG2 VAL A 52 3.285 -9.691 -3.464 1.00 0.00 C ATOM 0 H VAL A 52 2.825 -8.698 -0.532 1.00 0.00 H new ATOM 0 HA VAL A 52 0.797 -9.781 -2.480 1.00 0.00 H new ATOM 0 HB VAL A 52 3.515 -10.807 -1.632 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.118 -12.442 -3.443 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.873 -12.582 -2.180 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.497 -11.760 -3.712 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.134 -10.173 -3.948 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.507 -9.500 -4.203 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.606 -8.747 -3.023 1.00 0.00 H new ATOM 780 N TYR A 53 -0.046 -11.376 -0.684 1.00 0.00 N ATOM 781 CA TYR A 53 -0.586 -12.202 0.435 1.00 0.00 C ATOM 782 C TYR A 53 -1.500 -13.331 -0.017 1.00 0.00 C ATOM 783 O TYR A 53 -1.857 -13.436 -1.172 1.00 0.00 O ATOM 784 CB TYR A 53 -1.351 -11.278 1.405 1.00 0.00 C ATOM 785 CG TYR A 53 -2.508 -10.529 0.726 1.00 0.00 C ATOM 786 CD1 TYR A 53 -2.287 -9.352 0.038 1.00 0.00 C ATOM 787 CD2 TYR A 53 -3.796 -11.021 0.811 1.00 0.00 C ATOM 788 CE1 TYR A 53 -3.334 -8.681 -0.552 1.00 0.00 C ATOM 789 CE2 TYR A 53 -4.844 -10.348 0.221 1.00 0.00 C ATOM 790 CZ TYR A 53 -4.620 -9.173 -0.464 1.00 0.00 C ATOM 791 OH TYR A 53 -5.669 -8.498 -1.053 1.00 0.00 O ATOM 0 H TYR A 53 -0.607 -11.366 -1.536 1.00 0.00 H new ATOM 0 HA TYR A 53 0.266 -12.678 0.920 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.743 -11.871 2.231 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.657 -10.554 1.833 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.285 -8.955 -0.038 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.983 -11.941 1.345 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.147 -7.762 -1.088 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.846 -10.743 0.296 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.503 -8.987 -0.893 1.00 0.00 H new ATOM 801 N GLN A 54 -1.839 -14.141 0.949 1.00 0.00 N ATOM 802 CA GLN A 54 -2.730 -15.314 0.723 1.00 0.00 C ATOM 803 C GLN A 54 -4.173 -14.812 0.950 1.00 0.00 C ATOM 804 O GLN A 54 -4.481 -14.405 2.052 1.00 0.00 O ATOM 805 CB GLN A 54 -2.351 -16.402 1.737 1.00 0.00 C ATOM 806 CG GLN A 54 -0.872 -16.794 1.540 1.00 0.00 C ATOM 807 CD GLN A 54 -0.433 -17.705 2.690 1.00 0.00 C ATOM 808 OE1 GLN A 54 0.149 -17.161 3.725 1.00 0.00 O flip ATOM 809 NE2 GLN A 54 -0.613 -18.906 2.659 1.00 0.00 N flip ATOM 0 H GLN A 54 -1.525 -14.034 1.914 1.00 0.00 H new ATOM 0 HA GLN A 54 -2.637 -15.735 -0.278 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.510 -16.039 2.752 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -2.990 -17.275 1.606 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.743 -17.305 0.586 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.248 -15.901 1.510 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -1.067 -19.333 1.852 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.310 -19.487 3.440 1.00 0.00 H new ATOM 818 N PRO A 55 -5.017 -14.841 -0.061 1.00 0.00 N ATOM 819 CA PRO A 55 -6.367 -14.197 -0.006 1.00 0.00 C ATOM 820 C PRO A 55 -7.246 -14.900 1.040 1.00 0.00 C ATOM 821 O PRO A 55 -7.794 -14.284 1.934 1.00 0.00 O ATOM 822 CB PRO A 55 -6.930 -14.315 -1.419 1.00 0.00 C ATOM 823 CG PRO A 55 -6.119 -15.427 -2.105 1.00 0.00 C ATOM 824 CD PRO A 55 -4.769 -15.509 -1.375 1.00 0.00 C ATOM 0 HA PRO A 55 -6.325 -13.152 0.300 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.991 -14.563 -1.397 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -6.834 -13.372 -1.958 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.646 -16.379 -2.050 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -5.974 -15.203 -3.162 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.451 -16.543 -1.242 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.983 -15.004 -1.936 1.00 0.00 H new ATOM 832 N HIS A 56 -7.331 -16.193 0.867 1.00 0.00 N ATOM 833 CA HIS A 56 -8.132 -17.079 1.768 1.00 0.00 C ATOM 834 C HIS A 56 -7.704 -16.997 3.240 1.00 0.00 C ATOM 835 O HIS A 56 -8.491 -17.246 4.133 1.00 0.00 O ATOM 836 CB HIS A 56 -7.987 -18.521 1.250 1.00 0.00 C ATOM 837 CG HIS A 56 -6.494 -18.861 1.121 1.00 0.00 C ATOM 838 ND1 HIS A 56 -5.856 -18.990 0.004 1.00 0.00 N ATOM 839 CD2 HIS A 56 -5.534 -19.092 2.090 1.00 0.00 C ATOM 840 CE1 HIS A 56 -4.614 -19.275 0.243 1.00 0.00 C ATOM 841 NE2 HIS A 56 -4.370 -19.349 1.528 1.00 0.00 N ATOM 0 H HIS A 56 -6.861 -16.690 0.110 1.00 0.00 H new ATOM 0 HA HIS A 56 -9.170 -16.746 1.745 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -8.473 -19.217 1.934 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -8.481 -18.625 0.284 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -5.713 -19.066 3.155 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -3.871 -19.432 -0.524 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -3.484 -19.557 1.988 1.00 0.00 H new ATOM 849 N LEU A 57 -6.461 -16.647 3.432 1.00 0.00 N ATOM 850 CA LEU A 57 -5.873 -16.523 4.793 1.00 0.00 C ATOM 851 C LEU A 57 -6.062 -15.119 5.367 1.00 0.00 C ATOM 852 O LEU A 57 -6.311 -14.956 6.546 1.00 0.00 O ATOM 853 CB LEU A 57 -4.390 -16.879 4.658 1.00 0.00 C ATOM 854 CG LEU A 57 -3.867 -17.795 5.798 1.00 0.00 C ATOM 855 CD1 LEU A 57 -4.688 -19.106 5.924 1.00 0.00 C ATOM 856 CD2 LEU A 57 -2.441 -18.204 5.409 1.00 0.00 C ATOM 0 H LEU A 57 -5.810 -16.436 2.676 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.374 -17.194 5.491 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.229 -17.375 3.701 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.804 -15.960 4.643 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.934 -17.252 6.741 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.283 -19.712 6.735 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.729 -18.864 6.137 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.629 -19.664 4.989 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.025 -18.852 6.181 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.462 -18.738 4.459 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.821 -17.313 5.310 1.00 0.00 H new ATOM 868 N ILE A 58 -5.934 -14.152 4.497 1.00 0.00 N ATOM 869 CA ILE A 58 -6.086 -12.726 4.901 1.00 0.00 C ATOM 870 C ILE A 58 -6.394 -11.811 3.709 1.00 0.00 C ATOM 871 O ILE A 58 -6.149 -12.146 2.567 1.00 0.00 O ATOM 872 CB ILE A 58 -4.771 -12.258 5.607 1.00 0.00 C ATOM 873 CG1 ILE A 58 -4.907 -10.763 6.055 1.00 0.00 C ATOM 874 CG2 ILE A 58 -3.568 -12.430 4.634 1.00 0.00 C ATOM 875 CD1 ILE A 58 -3.741 -10.326 6.942 1.00 0.00 C ATOM 0 H ILE A 58 -5.727 -14.294 3.508 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.934 -12.656 5.583 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.598 -12.869 6.493 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.953 -10.123 5.174 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.844 -10.630 6.595 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.652 -12.104 5.127 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.475 -13.479 4.353 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.734 -11.828 3.741 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.874 -9.283 7.230 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.711 -10.949 7.836 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.806 -10.434 6.393 1.00 0.00 H new ATOM 887 N SER A 59 -6.934 -10.670 4.053 1.00 0.00 N ATOM 888 CA SER A 59 -7.307 -9.625 3.062 1.00 0.00 C ATOM 889 C SER A 59 -6.670 -8.353 3.601 1.00 0.00 C ATOM 890 O SER A 59 -7.199 -7.658 4.448 1.00 0.00 O ATOM 891 CB SER A 59 -8.806 -9.462 3.008 1.00 0.00 C ATOM 892 OG SER A 59 -9.296 -10.737 2.615 1.00 0.00 O ATOM 0 H SER A 59 -7.138 -10.414 5.019 1.00 0.00 H new ATOM 0 HA SER A 59 -6.975 -9.873 2.054 1.00 0.00 H new ATOM 0 HB2 SER A 59 -9.207 -9.166 3.977 1.00 0.00 H new ATOM 0 HB3 SER A 59 -9.095 -8.690 2.294 1.00 0.00 H new ATOM 0 HG SER A 59 -10.274 -10.709 2.560 1.00 0.00 H new ATOM 898 N VAL A 60 -5.515 -8.114 3.056 1.00 0.00 N ATOM 899 CA VAL A 60 -4.703 -6.927 3.429 1.00 0.00 C ATOM 900 C VAL A 60 -5.430 -5.640 3.051 1.00 0.00 C ATOM 901 O VAL A 60 -5.215 -4.613 3.659 1.00 0.00 O ATOM 902 CB VAL A 60 -3.336 -7.048 2.706 1.00 0.00 C ATOM 903 CG1 VAL A 60 -2.455 -5.803 2.964 1.00 0.00 C ATOM 904 CG2 VAL A 60 -2.596 -8.294 3.247 1.00 0.00 C ATOM 0 H VAL A 60 -5.087 -8.709 2.347 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.545 -6.890 4.507 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.518 -7.132 1.635 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.503 -5.917 2.445 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.966 -4.913 2.595 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.274 -5.701 4.034 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.633 -8.391 2.747 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.438 -8.186 4.320 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.195 -9.184 3.056 1.00 0.00 H new ATOM 914 N GLU A 61 -6.275 -5.743 2.061 1.00 0.00 N ATOM 915 CA GLU A 61 -7.057 -4.569 1.579 1.00 0.00 C ATOM 916 C GLU A 61 -7.886 -3.991 2.744 1.00 0.00 C ATOM 917 O GLU A 61 -8.074 -2.794 2.848 1.00 0.00 O ATOM 918 CB GLU A 61 -7.949 -5.071 0.431 1.00 0.00 C ATOM 919 CG GLU A 61 -8.465 -3.916 -0.458 1.00 0.00 C ATOM 920 CD GLU A 61 -9.288 -2.873 0.327 1.00 0.00 C ATOM 921 OE1 GLU A 61 -10.308 -3.270 0.870 1.00 0.00 O ATOM 922 OE2 GLU A 61 -8.850 -1.732 0.341 1.00 0.00 O ATOM 0 H GLU A 61 -6.459 -6.610 1.556 1.00 0.00 H new ATOM 0 HA GLU A 61 -6.413 -3.767 1.218 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.387 -5.775 -0.182 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.798 -5.616 0.845 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.616 -3.421 -0.930 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.079 -4.328 -1.259 1.00 0.00 H new ATOM 929 N GLU A 62 -8.350 -4.875 3.594 1.00 0.00 N ATOM 930 CA GLU A 62 -9.171 -4.470 4.770 1.00 0.00 C ATOM 931 C GLU A 62 -8.280 -3.639 5.688 1.00 0.00 C ATOM 932 O GLU A 62 -8.691 -2.635 6.235 1.00 0.00 O ATOM 933 CB GLU A 62 -9.647 -5.743 5.463 1.00 0.00 C ATOM 934 CG GLU A 62 -10.559 -5.404 6.658 1.00 0.00 C ATOM 935 CD GLU A 62 -10.981 -6.713 7.346 1.00 0.00 C ATOM 936 OE1 GLU A 62 -10.217 -7.149 8.193 1.00 0.00 O ATOM 937 OE2 GLU A 62 -12.037 -7.205 6.984 1.00 0.00 O ATOM 0 H GLU A 62 -8.189 -5.879 3.517 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.041 -3.877 4.488 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.187 -6.369 4.753 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.788 -6.319 5.807 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.034 -4.759 7.363 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.438 -4.856 6.319 1.00 0.00 H new ATOM 944 N MET A 63 -7.070 -4.112 5.816 1.00 0.00 N ATOM 945 CA MET A 63 -6.073 -3.421 6.671 1.00 0.00 C ATOM 946 C MET A 63 -5.639 -2.101 6.029 1.00 0.00 C ATOM 947 O MET A 63 -5.251 -1.171 6.710 1.00 0.00 O ATOM 948 CB MET A 63 -4.870 -4.331 6.865 1.00 0.00 C ATOM 949 CG MET A 63 -5.342 -5.687 7.429 1.00 0.00 C ATOM 950 SD MET A 63 -6.596 -5.676 8.737 1.00 0.00 S ATOM 951 CE MET A 63 -5.855 -4.453 9.847 1.00 0.00 C ATOM 0 H MET A 63 -6.730 -4.957 5.358 1.00 0.00 H new ATOM 0 HA MET A 63 -6.522 -3.196 7.639 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.354 -4.478 5.916 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.156 -3.869 7.547 1.00 0.00 H new ATOM 0 HG2 MET A 63 -5.731 -6.276 6.599 1.00 0.00 H new ATOM 0 HG3 MET A 63 -4.467 -6.213 7.810 1.00 0.00 H new ATOM 0 HE1 MET A 63 -5.924 -4.806 10.876 1.00 0.00 H new ATOM 0 HE2 MET A 63 -4.807 -4.309 9.583 1.00 0.00 H new ATOM 0 HE3 MET A 63 -6.386 -3.506 9.752 1.00 0.00 H new ATOM 961 N LYS A 64 -5.726 -2.074 4.725 1.00 0.00 N ATOM 962 CA LYS A 64 -5.347 -0.861 3.946 1.00 0.00 C ATOM 963 C LYS A 64 -6.517 0.128 3.986 1.00 0.00 C ATOM 964 O LYS A 64 -6.346 1.301 3.718 1.00 0.00 O ATOM 965 CB LYS A 64 -5.038 -1.285 2.506 1.00 0.00 C ATOM 966 CG LYS A 64 -3.766 -2.174 2.445 1.00 0.00 C ATOM 967 CD LYS A 64 -2.502 -1.334 2.683 1.00 0.00 C ATOM 968 CE LYS A 64 -1.255 -2.171 2.388 1.00 0.00 C ATOM 969 NZ LYS A 64 -0.044 -1.335 2.613 1.00 0.00 N ATOM 0 H LYS A 64 -6.050 -2.857 4.158 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.465 -0.380 4.368 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.887 -1.831 2.094 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.897 -0.400 1.885 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -3.831 -2.962 3.195 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -3.705 -2.664 1.473 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.517 -0.451 2.045 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.478 -0.982 3.714 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.231 -3.050 3.032 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.278 -2.531 1.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.808 -1.902 2.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.061 -0.519 1.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.032 -0.999 3.597 1.00 0.00 H new ATOM 983 N LYS A 65 -7.683 -0.375 4.315 1.00 0.00 N ATOM 984 CA LYS A 65 -8.888 0.487 4.395 1.00 0.00 C ATOM 985 C LYS A 65 -8.720 1.390 5.623 1.00 0.00 C ATOM 986 O LYS A 65 -9.191 2.510 5.645 1.00 0.00 O ATOM 987 CB LYS A 65 -10.107 -0.428 4.523 1.00 0.00 C ATOM 988 CG LYS A 65 -11.403 0.391 4.494 1.00 0.00 C ATOM 989 CD LYS A 65 -12.604 -0.567 4.618 1.00 0.00 C ATOM 990 CE LYS A 65 -13.907 0.245 4.607 1.00 0.00 C ATOM 991 NZ LYS A 65 -15.074 -0.672 4.735 1.00 0.00 N ATOM 0 H LYS A 65 -7.845 -1.358 4.533 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.020 1.114 3.513 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.111 -1.153 3.709 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.048 -0.993 5.453 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.411 1.113 5.311 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.469 0.959 3.566 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.600 -1.281 3.794 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.530 -1.144 5.540 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -13.906 0.963 5.427 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.982 0.817 3.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -15.954 -0.117 4.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -15.079 -1.341 3.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -15.005 -1.199 5.629 1.00 0.00 H new ATOM 1005 N GLN A 66 -8.042 0.858 6.613 1.00 0.00 N ATOM 1006 CA GLN A 66 -7.785 1.599 7.872 1.00 0.00 C ATOM 1007 C GLN A 66 -6.895 2.806 7.567 1.00 0.00 C ATOM 1008 O GLN A 66 -7.043 3.850 8.169 1.00 0.00 O ATOM 1009 CB GLN A 66 -7.091 0.645 8.853 1.00 0.00 C ATOM 1010 CG GLN A 66 -7.808 -0.725 8.888 1.00 0.00 C ATOM 1011 CD GLN A 66 -9.287 -0.560 9.262 1.00 0.00 C ATOM 1012 OE1 GLN A 66 -10.158 -0.581 8.415 1.00 0.00 O ATOM 1013 NE2 GLN A 66 -9.608 -0.393 10.515 1.00 0.00 N ATOM 0 H GLN A 66 -7.650 -0.083 6.592 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.715 1.958 8.313 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -6.050 0.508 8.559 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -7.086 1.083 9.851 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -7.727 -1.207 7.914 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -7.317 -1.378 9.609 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -8.881 -0.375 11.230 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -10.587 -0.281 10.780 1.00 0.00 H new ATOM 1022 N ILE A 67 -5.997 2.610 6.633 1.00 0.00 N ATOM 1023 CA ILE A 67 -5.056 3.691 6.215 1.00 0.00 C ATOM 1024 C ILE A 67 -5.882 4.817 5.583 1.00 0.00 C ATOM 1025 O ILE A 67 -5.576 5.985 5.713 1.00 0.00 O ATOM 1026 CB ILE A 67 -4.061 3.086 5.208 1.00 0.00 C ATOM 1027 CG1 ILE A 67 -3.236 1.987 5.919 1.00 0.00 C ATOM 1028 CG2 ILE A 67 -3.168 4.183 4.613 1.00 0.00 C ATOM 1029 CD1 ILE A 67 -2.291 1.307 4.922 1.00 0.00 C ATOM 0 H ILE A 67 -5.876 1.729 6.134 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.497 4.100 7.056 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.598 2.630 4.376 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.662 2.424 6.736 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.905 1.248 6.360 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.470 3.739 3.903 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.788 4.919 4.101 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.611 4.672 5.412 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.716 0.536 5.434 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.873 0.853 4.120 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.611 2.048 4.502 1.00 0.00 H new ATOM 1041 N GLU A 68 -6.921 4.405 4.914 1.00 0.00 N ATOM 1042 CA GLU A 68 -7.833 5.368 4.240 1.00 0.00 C ATOM 1043 C GLU A 68 -8.826 5.957 5.240 1.00 0.00 C ATOM 1044 O GLU A 68 -9.398 7.003 5.004 1.00 0.00 O ATOM 1045 CB GLU A 68 -8.545 4.613 3.136 1.00 0.00 C ATOM 1046 CG GLU A 68 -7.501 4.138 2.091 1.00 0.00 C ATOM 1047 CD GLU A 68 -8.168 3.254 1.024 1.00 0.00 C ATOM 1048 OE1 GLU A 68 -8.209 2.057 1.259 1.00 0.00 O ATOM 1049 OE2 GLU A 68 -8.597 3.826 0.035 1.00 0.00 O ATOM 0 H GLU A 68 -7.181 3.425 4.804 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.274 6.205 3.822 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.079 3.758 3.549 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -9.288 5.254 2.661 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.035 5.001 1.616 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.708 3.581 2.589 1.00 0.00 H new ATOM 1056 N ALA A 69 -8.993 5.258 6.332 1.00 0.00 N ATOM 1057 CA ALA A 69 -9.929 5.712 7.396 1.00 0.00 C ATOM 1058 C ALA A 69 -9.254 6.798 8.237 1.00 0.00 C ATOM 1059 O ALA A 69 -9.895 7.746 8.650 1.00 0.00 O ATOM 1060 CB ALA A 69 -10.293 4.525 8.280 1.00 0.00 C ATOM 0 H ALA A 69 -8.513 4.381 6.532 1.00 0.00 H new ATOM 0 HA ALA A 69 -10.834 6.119 6.945 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.979 4.851 9.062 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.771 3.754 7.676 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.389 4.120 8.735 1.00 0.00 H new ATOM 1066 N MET A 70 -7.975 6.622 8.460 1.00 0.00 N ATOM 1067 CA MET A 70 -7.198 7.590 9.257 1.00 0.00 C ATOM 1068 C MET A 70 -6.894 8.867 8.460 1.00 0.00 C ATOM 1069 O MET A 70 -6.441 9.837 9.034 1.00 0.00 O ATOM 1070 CB MET A 70 -5.915 6.860 9.728 1.00 0.00 C ATOM 1071 CG MET A 70 -5.010 6.387 8.594 1.00 0.00 C ATOM 1072 SD MET A 70 -3.530 5.444 9.050 1.00 0.00 S ATOM 1073 CE MET A 70 -2.242 6.561 8.437 1.00 0.00 C ATOM 0 H MET A 70 -7.436 5.829 8.111 1.00 0.00 H new ATOM 0 HA MET A 70 -7.769 7.929 10.121 1.00 0.00 H new ATOM 0 HB2 MET A 70 -5.347 7.528 10.375 1.00 0.00 H new ATOM 0 HB3 MET A 70 -6.202 5.999 10.332 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.607 5.773 7.920 1.00 0.00 H new ATOM 0 HG3 MET A 70 -4.691 7.263 8.029 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.277 6.265 8.849 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.203 6.510 7.349 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.469 7.582 8.744 1.00 0.00 H new ATOM 1083 N GLY A 71 -7.148 8.830 7.168 1.00 0.00 N ATOM 1084 CA GLY A 71 -6.894 10.036 6.314 1.00 0.00 C ATOM 1085 C GLY A 71 -5.922 9.884 5.140 1.00 0.00 C ATOM 1086 O GLY A 71 -5.443 10.880 4.633 1.00 0.00 O ATOM 0 H GLY A 71 -7.519 8.019 6.672 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.851 10.373 5.916 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.520 10.831 6.959 1.00 0.00 H new ATOM 1090 N PHE A 72 -5.647 8.673 4.731 1.00 0.00 N ATOM 1091 CA PHE A 72 -4.711 8.448 3.589 1.00 0.00 C ATOM 1092 C PHE A 72 -5.450 7.642 2.516 1.00 0.00 C ATOM 1093 O PHE A 72 -5.306 6.434 2.461 1.00 0.00 O ATOM 1094 CB PHE A 72 -3.478 7.667 4.070 1.00 0.00 C ATOM 1095 CG PHE A 72 -2.627 8.517 5.011 1.00 0.00 C ATOM 1096 CD1 PHE A 72 -3.101 8.871 6.255 1.00 0.00 C ATOM 1097 CD2 PHE A 72 -1.372 8.933 4.624 1.00 0.00 C ATOM 1098 CE1 PHE A 72 -2.335 9.631 7.102 1.00 0.00 C ATOM 1099 CE2 PHE A 72 -0.602 9.694 5.468 1.00 0.00 C ATOM 1100 CZ PHE A 72 -1.083 10.045 6.713 1.00 0.00 C ATOM 0 H PHE A 72 -6.034 7.823 5.142 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.380 9.403 3.181 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.795 6.758 4.581 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.881 7.358 3.212 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -4.083 8.548 6.566 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.992 8.659 3.651 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -2.716 9.904 8.075 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.380 10.018 5.158 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.478 10.643 7.379 1.00 0.00 H new ATOM 1110 N PRO A 73 -6.226 8.317 1.692 1.00 0.00 N ATOM 1111 CA PRO A 73 -6.922 7.665 0.547 1.00 0.00 C ATOM 1112 C PRO A 73 -5.891 6.871 -0.253 1.00 0.00 C ATOM 1113 O PRO A 73 -4.769 7.311 -0.409 1.00 0.00 O ATOM 1114 CB PRO A 73 -7.552 8.791 -0.269 1.00 0.00 C ATOM 1115 CG PRO A 73 -7.357 10.096 0.524 1.00 0.00 C ATOM 1116 CD PRO A 73 -6.515 9.781 1.773 1.00 0.00 C ATOM 0 HA PRO A 73 -7.700 6.966 0.856 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.082 8.864 -1.250 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.612 8.598 -0.436 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.857 10.844 -0.092 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.322 10.513 0.812 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.594 10.364 1.784 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.058 10.025 2.686 1.00 0.00 H new ATOM 1124 N ALA A 74 -6.304 5.726 -0.722 1.00 0.00 N ATOM 1125 CA ALA A 74 -5.386 4.867 -1.517 1.00 0.00 C ATOM 1126 C ALA A 74 -6.049 4.529 -2.837 1.00 0.00 C ATOM 1127 O ALA A 74 -7.155 4.025 -2.878 1.00 0.00 O ATOM 1128 CB ALA A 74 -5.083 3.592 -0.719 1.00 0.00 C ATOM 0 H ALA A 74 -7.242 5.348 -0.588 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.450 5.388 -1.717 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.410 2.955 -1.293 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.611 3.858 0.227 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.012 3.056 -0.523 1.00 0.00 H new ATOM 1134 N PHE A 75 -5.325 4.837 -3.879 1.00 0.00 N ATOM 1135 CA PHE A 75 -5.816 4.575 -5.258 1.00 0.00 C ATOM 1136 C PHE A 75 -5.526 3.107 -5.599 1.00 0.00 C ATOM 1137 O PHE A 75 -4.539 2.768 -6.223 1.00 0.00 O ATOM 1138 CB PHE A 75 -5.092 5.551 -6.220 1.00 0.00 C ATOM 1139 CG PHE A 75 -5.380 7.037 -5.876 1.00 0.00 C ATOM 1140 CD1 PHE A 75 -6.407 7.435 -5.027 1.00 0.00 C ATOM 1141 CD2 PHE A 75 -4.580 8.014 -6.440 1.00 0.00 C ATOM 1142 CE1 PHE A 75 -6.618 8.771 -4.756 1.00 0.00 C ATOM 1143 CE2 PHE A 75 -4.792 9.349 -6.167 1.00 0.00 C ATOM 1144 CZ PHE A 75 -5.811 9.729 -5.325 1.00 0.00 C ATOM 0 H PHE A 75 -4.401 5.265 -3.830 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.890 4.739 -5.350 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -4.018 5.372 -6.176 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -5.407 5.349 -7.244 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -7.046 6.691 -4.575 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.778 7.727 -7.104 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.419 9.066 -4.095 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.156 10.098 -6.616 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.977 10.775 -5.111 1.00 0.00 H new ATOM 1154 N VAL A 76 -6.441 2.287 -5.147 1.00 0.00 N ATOM 1155 CA VAL A 76 -6.365 0.808 -5.360 1.00 0.00 C ATOM 1156 C VAL A 76 -6.776 0.470 -6.800 1.00 0.00 C ATOM 1157 O VAL A 76 -7.469 1.240 -7.438 1.00 0.00 O ATOM 1158 CB VAL A 76 -7.315 0.120 -4.338 1.00 0.00 C ATOM 1159 CG1 VAL A 76 -7.195 -1.421 -4.409 1.00 0.00 C ATOM 1160 CG2 VAL A 76 -6.980 0.596 -2.909 1.00 0.00 C ATOM 0 H VAL A 76 -7.262 2.591 -4.624 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.347 0.451 -5.208 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.338 0.397 -4.590 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.871 -1.872 -3.683 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.459 -1.761 -5.411 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.170 -1.717 -4.184 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.649 0.111 -2.198 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.948 0.337 -2.672 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.106 1.677 -2.847 1.00 0.00 H new ATOM 1170 N LYS A 77 -6.328 -0.678 -7.251 1.00 0.00 N ATOM 1171 CA LYS A 77 -6.620 -1.185 -8.633 1.00 0.00 C ATOM 1172 C LYS A 77 -5.975 -0.222 -9.645 1.00 0.00 C ATOM 1173 O LYS A 77 -6.497 0.836 -9.939 1.00 0.00 O ATOM 1174 CB LYS A 77 -8.173 -1.260 -8.830 1.00 0.00 C ATOM 1175 CG LYS A 77 -8.618 -2.188 -10.008 1.00 0.00 C ATOM 1176 CD LYS A 77 -8.082 -1.739 -11.399 1.00 0.00 C ATOM 1177 CE LYS A 77 -6.798 -2.511 -11.781 1.00 0.00 C ATOM 1178 NZ LYS A 77 -7.123 -3.943 -12.035 1.00 0.00 N ATOM 0 H LYS A 77 -5.749 -1.309 -6.696 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.209 -2.183 -8.783 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -8.630 -1.617 -7.907 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -8.556 -0.255 -9.007 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -8.276 -3.203 -9.808 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.707 -2.220 -10.042 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.848 -1.904 -12.157 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -7.875 -0.669 -11.383 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.348 -2.068 -12.670 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.064 -2.432 -10.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -6.401 -4.357 -12.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -7.139 -4.461 -11.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -8.055 -4.012 -12.491 1.00 0.00 H new ATOM 1192 N LYS A 78 -4.841 -0.642 -10.144 1.00 0.00 N ATOM 1193 CA LYS A 78 -4.075 0.152 -11.132 1.00 0.00 C ATOM 1194 C LYS A 78 -3.352 -0.831 -12.060 1.00 0.00 C ATOM 1195 O LYS A 78 -2.743 -1.776 -11.598 1.00 0.00 O ATOM 1196 CB LYS A 78 -3.075 1.049 -10.369 1.00 0.00 C ATOM 1197 CG LYS A 78 -2.317 1.972 -11.347 1.00 0.00 C ATOM 1198 CD LYS A 78 -1.353 2.874 -10.540 1.00 0.00 C ATOM 1199 CE LYS A 78 -0.585 3.811 -11.489 1.00 0.00 C ATOM 1200 NZ LYS A 78 -1.531 4.717 -12.203 1.00 0.00 N ATOM 0 H LYS A 78 -4.407 -1.531 -9.895 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.722 0.794 -11.730 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.607 1.650 -9.631 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.365 0.428 -9.822 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.760 1.378 -12.071 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.021 2.583 -11.911 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.915 3.461 -9.813 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.651 2.258 -9.978 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.136 4.401 -10.923 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.019 3.223 -12.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.006 5.518 -12.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.005 4.192 -12.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.243 5.073 -11.533 1.00 0.00 H new ATOM 1214 N GLN A 79 -3.451 -0.564 -13.340 1.00 0.00 N ATOM 1215 CA GLN A 79 -2.802 -1.427 -14.379 1.00 0.00 C ATOM 1216 C GLN A 79 -1.294 -1.583 -14.067 1.00 0.00 C ATOM 1217 O GLN A 79 -0.547 -0.647 -14.278 1.00 0.00 O ATOM 1218 CB GLN A 79 -3.017 -0.759 -15.762 1.00 0.00 C ATOM 1219 CG GLN A 79 -4.527 -0.643 -16.085 1.00 0.00 C ATOM 1220 CD GLN A 79 -5.171 -2.037 -16.128 1.00 0.00 C ATOM 1221 OE1 GLN A 79 -4.978 -2.792 -17.174 1.00 0.00 O flip ATOM 1222 NE2 GLN A 79 -5.852 -2.449 -15.210 1.00 0.00 N flip ATOM 0 H GLN A 79 -3.965 0.232 -13.716 1.00 0.00 H new ATOM 0 HA GLN A 79 -3.245 -2.423 -14.382 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -2.562 0.231 -15.768 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -2.518 -1.344 -16.535 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -5.021 -0.030 -15.331 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -4.664 -0.142 -17.043 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -6.008 -1.865 -14.388 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -6.268 -3.379 -15.261 1.00 0.00 H new ATOM 1231 N PRO A 80 -0.882 -2.738 -13.578 1.00 0.00 N ATOM 1232 CA PRO A 80 0.470 -2.933 -12.972 1.00 0.00 C ATOM 1233 C PRO A 80 1.578 -3.078 -14.036 1.00 0.00 C ATOM 1234 O PRO A 80 2.116 -4.148 -14.247 1.00 0.00 O ATOM 1235 CB PRO A 80 0.310 -4.171 -12.091 1.00 0.00 C ATOM 1236 CG PRO A 80 -0.839 -4.981 -12.707 1.00 0.00 C ATOM 1237 CD PRO A 80 -1.680 -4.006 -13.550 1.00 0.00 C ATOM 0 HA PRO A 80 0.795 -2.069 -12.393 1.00 0.00 H new ATOM 0 HB2 PRO A 80 1.230 -4.755 -12.067 1.00 0.00 H new ATOM 0 HB3 PRO A 80 0.083 -3.891 -11.062 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -0.451 -5.790 -13.326 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -1.448 -5.440 -11.928 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -1.844 -4.393 -14.556 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -2.663 -3.845 -13.106 1.00 0.00 H new ATOM 1245 N LYS A 81 1.875 -1.974 -14.675 1.00 0.00 N ATOM 1246 CA LYS A 81 2.927 -1.927 -15.739 1.00 0.00 C ATOM 1247 C LYS A 81 4.024 -0.969 -15.261 1.00 0.00 C ATOM 1248 O LYS A 81 3.731 0.024 -14.623 1.00 0.00 O ATOM 1249 CB LYS A 81 2.335 -1.397 -17.072 1.00 0.00 C ATOM 1250 CG LYS A 81 1.397 -2.422 -17.771 1.00 0.00 C ATOM 1251 CD LYS A 81 0.068 -2.614 -17.009 1.00 0.00 C ATOM 1252 CE LYS A 81 -0.865 -3.523 -17.824 1.00 0.00 C ATOM 1253 NZ LYS A 81 -2.138 -3.739 -17.078 1.00 0.00 N ATOM 0 H LYS A 81 1.420 -1.079 -14.499 1.00 0.00 H new ATOM 0 HA LYS A 81 3.321 -2.928 -15.914 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.780 -0.479 -16.877 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.150 -1.139 -17.748 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.186 -2.085 -18.786 1.00 0.00 H new ATOM 0 HG3 LYS A 81 1.908 -3.381 -17.854 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.258 -3.055 -16.030 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.407 -1.648 -16.837 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -1.073 -3.070 -18.793 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -0.379 -4.479 -18.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.306 -4.759 -16.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -2.070 -3.295 -16.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.926 -3.314 -17.606 1.00 0.00 H new ATOM 1267 N TYR A 82 5.251 -1.296 -15.583 1.00 0.00 N ATOM 1268 CA TYR A 82 6.402 -0.435 -15.171 1.00 0.00 C ATOM 1269 C TYR A 82 6.530 0.749 -16.149 1.00 0.00 C ATOM 1270 O TYR A 82 7.397 0.786 -17.002 1.00 0.00 O ATOM 1271 CB TYR A 82 7.677 -1.316 -15.168 1.00 0.00 C ATOM 1272 CG TYR A 82 8.879 -0.498 -14.661 1.00 0.00 C ATOM 1273 CD1 TYR A 82 8.951 -0.107 -13.337 1.00 0.00 C ATOM 1274 CD2 TYR A 82 9.902 -0.138 -15.520 1.00 0.00 C ATOM 1275 CE1 TYR A 82 10.024 0.628 -12.880 1.00 0.00 C ATOM 1276 CE2 TYR A 82 10.975 0.597 -15.061 1.00 0.00 C ATOM 1277 CZ TYR A 82 11.043 0.985 -13.739 1.00 0.00 C ATOM 1278 OH TYR A 82 12.117 1.721 -13.282 1.00 0.00 O ATOM 0 H TYR A 82 5.506 -2.127 -16.117 1.00 0.00 H new ATOM 0 HA TYR A 82 6.253 -0.022 -14.173 1.00 0.00 H new ATOM 0 HB2 TYR A 82 7.525 -2.188 -14.532 1.00 0.00 H new ATOM 0 HB3 TYR A 82 7.876 -1.686 -16.174 1.00 0.00 H new ATOM 0 HD1 TYR A 82 8.160 -0.380 -12.655 1.00 0.00 H new ATOM 0 HD2 TYR A 82 9.860 -0.435 -16.558 1.00 0.00 H new ATOM 0 HE1 TYR A 82 10.067 0.926 -11.843 1.00 0.00 H new ATOM 0 HE2 TYR A 82 11.768 0.871 -15.742 1.00 0.00 H new ATOM 0 HH TYR A 82 12.741 1.882 -14.020 1.00 0.00 H new ATOM 1288 N LEU A 83 5.633 1.687 -15.978 1.00 0.00 N ATOM 1289 CA LEU A 83 5.604 2.910 -16.835 1.00 0.00 C ATOM 1290 C LEU A 83 4.676 3.904 -16.119 1.00 0.00 C ATOM 1291 O LEU A 83 3.472 3.877 -16.295 1.00 0.00 O ATOM 1292 CB LEU A 83 5.053 2.521 -18.248 1.00 0.00 C ATOM 1293 CG LEU A 83 5.271 3.617 -19.346 1.00 0.00 C ATOM 1294 CD1 LEU A 83 4.621 4.972 -18.982 1.00 0.00 C ATOM 1295 CD2 LEU A 83 6.780 3.824 -19.613 1.00 0.00 C ATOM 0 H LEU A 83 4.904 1.655 -15.265 1.00 0.00 H new ATOM 0 HA LEU A 83 6.590 3.353 -16.979 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.534 1.598 -18.572 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.986 2.313 -18.165 1.00 0.00 H new ATOM 0 HG LEU A 83 4.780 3.250 -20.247 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.806 5.690 -19.781 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.547 4.838 -18.856 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.052 5.344 -18.052 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.913 4.589 -20.378 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.272 4.142 -18.694 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.221 2.888 -19.955 1.00 0.00 H new ATOM 1307 N LYS A 84 5.272 4.754 -15.322 1.00 0.00 N ATOM 1308 CA LYS A 84 4.482 5.776 -14.566 1.00 0.00 C ATOM 1309 C LYS A 84 4.070 6.931 -15.496 1.00 0.00 C ATOM 1310 O LYS A 84 4.930 7.367 -16.244 1.00 0.00 O ATOM 1311 CB LYS A 84 5.341 6.316 -13.400 1.00 0.00 C ATOM 1312 CG LYS A 84 5.669 5.159 -12.421 1.00 0.00 C ATOM 1313 CD LYS A 84 6.603 5.607 -11.262 1.00 0.00 C ATOM 1314 CE LYS A 84 5.915 6.595 -10.286 1.00 0.00 C ATOM 1315 NZ LYS A 84 5.708 7.927 -10.920 1.00 0.00 N ATOM 1316 OXT LYS A 84 2.914 7.313 -15.406 1.00 0.00 O ATOM 0 H LYS A 84 6.279 4.785 -15.161 1.00 0.00 H new ATOM 0 HA LYS A 84 3.577 5.313 -14.172 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.262 6.753 -13.785 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.806 7.109 -12.877 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.742 4.766 -12.005 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.142 4.345 -12.971 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.935 4.729 -10.709 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.494 6.076 -11.680 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.955 6.187 -9.970 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.525 6.707 -9.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.004 8.675 -10.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.274 7.989 -11.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.702 8.048 -11.152 1.00 0.00 H new TER 1330 LYS A 84