USER MOD reduce.3.24.130724 H: found=0, std=0, add=1090, rem=0, adj=50 USER MOD reduce.3.24.130724 removed 1090 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 114 THR OG1 : rot 97:sc= 1.26 USER MOD Set 1.2: A 117 GLN : amide:sc= 0.782 K(o=2,f=-7.5!) USER MOD Set 2.1: A 97 GLN : amide:sc= 1.12 K(o=2.3,f=-9.5!) USER MOD Set 2.2: A 110 LYS NZ :NH3+ -138:sc= 1.21 (180deg=-0.131) USER MOD Set 3.1: A 74 THR OG1 : rot 38:sc= -0.101 USER MOD Set 3.2: A 83 ASN :FLIP amide:sc=-0.00248 F(o=-0.94,f=-0.1) USER MOD Set 4.1: A 33 GLN : amide:sc= -3.98! C(o=-3.6!,f=-13!) USER MOD Set 4.2: A 35 SER OG : rot -150:sc= 0.813 USER MOD Set 4.3: A 88 MET CE :methyl -113:sc= -0.472 (180deg=-2.47!) USER MOD Set 5.1: A 9 LYS NZ :NH3+ -170:sc= 0.763 (180deg=-0.549) USER MOD Set 5.2: A 22 THR OG1 : rot 93:sc= 1.71 USER MOD Set 6.1: A 8 LYS NZ :NH3+ -168:sc= 3.69 (180deg=1.84) USER MOD Set 6.2: A 23 TYR OH : rot 31:sc= 2.21 USER MOD Set 6.3: A 115 MET CE :methyl -148:sc= -0.977 (180deg=-1.22) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -155:sc= 1.28 (180deg=1.1) USER MOD Single : A 4 LYS NZ :NH3+ -166:sc= -0.066 (180deg=-0.327) USER MOD Single : A 7 SER OG : rot 180:sc= -0.218 USER MOD Single : A 11 SER OG : rot 42:sc= -0.834 USER MOD Single : A 13 ASN :FLIP amide:sc= -0.311 F(o=-1.4,f=-0.31) USER MOD Single : A 15 ASN : amide:sc=-0.00297 X(o=-0.003,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -164:sc= 1.25 (180deg=0.669) USER MOD Single : A 29 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0104) USER MOD Single : A 32 LYS NZ :NH3+ 171:sc=-0.000135 (180deg=-0.0767) USER MOD Single : A 34 SER OG : rot 180:sc= -0.108 USER MOD Single : A 37 THR OG1 : rot -141:sc= -3.6! USER MOD Single : A 38 LYS NZ :NH3+ 138:sc= 0.531 (180deg=-1.26!) USER MOD Single : A 40 GLN : amide:sc= -0.377 K(o=-0.38,f=-1.7) USER MOD Single : A 43 SER OG : rot -150:sc= -0.241 USER MOD Single : A 47 THR OG1 : rot -85:sc= 1.26 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.121 USER MOD Single : A 49 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0644) USER MOD Single : A 54 LYS NZ :NH3+ -152:sc= 2.28 (180deg=1.8) USER MOD Single : A 55 THR OG1 : rot 78:sc= 1.02 USER MOD Single : A 60 SER OG : rot 140:sc= -0.297 USER MOD Single : A 62 LYS NZ :NH3+ -109:sc= -0.423 (180deg=-1.14) USER MOD Single : A 63 TYR OH : rot -71:sc= -1.91! USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0.0568 X(o=0.057,f=-0.0014) USER MOD Single : A 72 LYS NZ :NH3+ 164:sc= 1.22 (180deg=0.989) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 161:sc= 0.635 USER MOD Single : A 78 THR OG1 : rot -8:sc= 0.209 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -1.38 K(o=-1.4,f=-6.5!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0803) USER MOD Single : A 94 LYS NZ :NH3+ -116:sc= 1.28 (180deg=-0.604) USER MOD Single : A 100 SER OG : rot -168:sc= -1.72! USER MOD Single : A 103 ASN :FLIP amide:sc= -0.0185 F(o=-1.1!,f=-0.018) USER MOD Single : A 105 SER OG : rot 148:sc= -1.36 USER MOD Single : A 111 LYS NZ :NH3+ -159:sc= -0.0589 (180deg=-0.417) USER MOD Single : A 118 MET CE :methyl 170:sc= -0.944 (180deg=-1.28) USER MOD Single : A 122 MET CE :methyl -168:sc= -0.562 (180deg=-0.924) USER MOD Single : A 123 LYS NZ :NH3+ 173:sc=-0.00945 (180deg=-0.094) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ -135:sc= 1.24 (180deg=0.323) USER MOD Single : A 134 HIS : no HD1:sc= -0.343 X(o=-0.34,f=0.04) USER MOD Single : A 135 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-2.2) USER MOD Single : A 136 HIS : no HE2:sc= 0.819 K(o=0.82,f=-6!) USER MOD Single : A 137 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 138 HIS : no HD1:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 139 HIS : no HD1:sc= -0.0099 X(o=-0.0099,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.526 5.400 13.706 1.00 0.00 N ATOM 2 CA MET A 1 21.589 4.690 15.003 1.00 0.00 C ATOM 3 C MET A 1 20.538 5.238 15.950 1.00 0.00 C ATOM 4 O MET A 1 20.199 6.418 15.902 1.00 0.00 O ATOM 5 CB MET A 1 22.980 4.808 15.625 1.00 0.00 C ATOM 6 CG MET A 1 24.053 4.062 14.852 1.00 0.00 C ATOM 7 SD MET A 1 23.681 2.305 14.684 1.00 0.00 S ATOM 8 CE MET A 1 25.124 1.733 13.792 1.00 0.00 C ATOM 0 H1 MET A 1 21.909 4.789 12.957 1.00 0.00 H new ATOM 0 H2 MET A 1 20.537 5.637 13.488 1.00 0.00 H new ATOM 0 H3 MET A 1 22.088 6.274 13.761 1.00 0.00 H new ATOM 0 HA MET A 1 21.388 3.634 14.825 1.00 0.00 H new ATOM 0 HB2 MET A 1 23.254 5.861 15.687 1.00 0.00 H new ATOM 0 HB3 MET A 1 22.947 4.427 16.646 1.00 0.00 H new ATOM 0 HG2 MET A 1 24.158 4.505 13.862 1.00 0.00 H new ATOM 0 HG3 MET A 1 25.011 4.181 15.358 1.00 0.00 H new ATOM 0 HE1 MET A 1 25.040 0.661 13.613 1.00 0.00 H new ATOM 0 HE2 MET A 1 25.193 2.256 12.838 1.00 0.00 H new ATOM 0 HE3 MET A 1 26.019 1.933 14.381 1.00 0.00 H new ATOM 20 N GLY A 2 20.012 4.367 16.798 1.00 0.00 N ATOM 21 CA GLY A 2 18.843 4.706 17.588 1.00 0.00 C ATOM 22 C GLY A 2 17.600 4.246 16.863 1.00 0.00 C ATOM 23 O GLY A 2 16.542 4.035 17.457 1.00 0.00 O ATOM 0 H GLY A 2 20.375 3.427 16.955 1.00 0.00 H new ATOM 0 HA2 GLY A 2 18.902 4.233 18.568 1.00 0.00 H new ATOM 0 HA3 GLY A 2 18.803 5.782 17.756 1.00 0.00 H new ATOM 27 N ASP A 3 17.762 4.105 15.560 1.00 0.00 N ATOM 28 CA ASP A 3 16.759 3.539 14.682 1.00 0.00 C ATOM 29 C ASP A 3 16.959 2.032 14.580 1.00 0.00 C ATOM 30 O ASP A 3 18.081 1.538 14.729 1.00 0.00 O ATOM 31 CB ASP A 3 16.862 4.190 13.297 1.00 0.00 C ATOM 32 CG ASP A 3 18.304 4.380 12.849 1.00 0.00 C ATOM 33 OD1 ASP A 3 18.884 5.452 13.148 1.00 0.00 O ATOM 34 OD2 ASP A 3 18.875 3.470 12.217 1.00 0.00 O ATOM 0 H ASP A 3 18.613 4.387 15.074 1.00 0.00 H new ATOM 0 HA ASP A 3 15.766 3.733 15.087 1.00 0.00 H new ATOM 0 HB2 ASP A 3 16.337 3.572 12.569 1.00 0.00 H new ATOM 0 HB3 ASP A 3 16.360 5.157 13.315 1.00 0.00 H new ATOM 39 N LYS A 4 15.877 1.305 14.345 1.00 0.00 N ATOM 40 CA LYS A 4 15.930 -0.151 14.273 1.00 0.00 C ATOM 41 C LYS A 4 15.050 -0.656 13.143 1.00 0.00 C ATOM 42 O LYS A 4 15.450 -1.518 12.358 1.00 0.00 O ATOM 43 CB LYS A 4 15.461 -0.783 15.589 1.00 0.00 C ATOM 44 CG LYS A 4 16.291 -0.395 16.803 1.00 0.00 C ATOM 45 CD LYS A 4 15.841 -1.155 18.039 1.00 0.00 C ATOM 46 CE LYS A 4 16.660 -0.780 19.265 1.00 0.00 C ATOM 47 NZ LYS A 4 18.116 -0.956 19.039 1.00 0.00 N ATOM 0 H LYS A 4 14.948 1.699 14.200 1.00 0.00 H new ATOM 0 HA LYS A 4 16.966 -0.436 14.089 1.00 0.00 H new ATOM 0 HB2 LYS A 4 14.424 -0.497 15.766 1.00 0.00 H new ATOM 0 HB3 LYS A 4 15.479 -1.868 15.484 1.00 0.00 H new ATOM 0 HG2 LYS A 4 17.344 -0.601 16.609 1.00 0.00 H new ATOM 0 HG3 LYS A 4 16.204 0.677 16.980 1.00 0.00 H new ATOM 0 HD2 LYS A 4 14.788 -0.948 18.229 1.00 0.00 H new ATOM 0 HD3 LYS A 4 15.928 -2.226 17.858 1.00 0.00 H new ATOM 0 HE2 LYS A 4 16.458 0.257 19.532 1.00 0.00 H new ATOM 0 HE3 LYS A 4 16.348 -1.393 20.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 18.615 -0.922 19.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 18.288 -1.875 18.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 18.466 -0.194 18.424 1.00 0.00 H new ATOM 61 N GLU A 5 13.841 -0.122 13.084 1.00 0.00 N ATOM 62 CA GLU A 5 12.872 -0.517 12.079 1.00 0.00 C ATOM 63 C GLU A 5 12.509 0.695 11.238 1.00 0.00 C ATOM 64 O GLU A 5 11.988 1.687 11.752 1.00 0.00 O ATOM 65 CB GLU A 5 11.641 -1.114 12.761 1.00 0.00 C ATOM 66 CG GLU A 5 12.009 -2.138 13.822 1.00 0.00 C ATOM 67 CD GLU A 5 10.815 -2.801 14.470 1.00 0.00 C ATOM 68 OE1 GLU A 5 10.081 -2.123 15.213 1.00 0.00 O ATOM 69 OE2 GLU A 5 10.630 -4.018 14.262 1.00 0.00 O ATOM 0 H GLU A 5 13.506 0.594 13.729 1.00 0.00 H new ATOM 0 HA GLU A 5 13.294 -1.279 11.423 1.00 0.00 H new ATOM 0 HB2 GLU A 5 11.058 -0.314 13.218 1.00 0.00 H new ATOM 0 HB3 GLU A 5 11.005 -1.584 12.011 1.00 0.00 H new ATOM 0 HG2 GLU A 5 12.638 -2.905 13.371 1.00 0.00 H new ATOM 0 HG3 GLU A 5 12.605 -1.650 14.593 1.00 0.00 H new ATOM 76 N GLU A 6 12.789 0.614 9.949 1.00 0.00 N ATOM 77 CA GLU A 6 12.710 1.776 9.082 1.00 0.00 C ATOM 78 C GLU A 6 11.392 1.795 8.327 1.00 0.00 C ATOM 79 O GLU A 6 10.968 0.781 7.772 1.00 0.00 O ATOM 80 CB GLU A 6 13.875 1.771 8.093 1.00 0.00 C ATOM 81 CG GLU A 6 15.220 1.450 8.726 1.00 0.00 C ATOM 82 CD GLU A 6 15.622 2.436 9.805 1.00 0.00 C ATOM 83 OE1 GLU A 6 16.131 3.521 9.456 1.00 0.00 O ATOM 84 OE2 GLU A 6 15.457 2.116 11.000 1.00 0.00 O ATOM 0 H GLU A 6 13.073 -0.246 9.479 1.00 0.00 H new ATOM 0 HA GLU A 6 12.768 2.671 9.701 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.670 1.042 7.309 1.00 0.00 H new ATOM 0 HB3 GLU A 6 13.935 2.747 7.612 1.00 0.00 H new ATOM 0 HG2 GLU A 6 15.183 0.448 9.154 1.00 0.00 H new ATOM 0 HG3 GLU A 6 15.986 1.438 7.950 1.00 0.00 H new ATOM 91 N SER A 7 10.749 2.950 8.305 1.00 0.00 N ATOM 92 CA SER A 7 9.458 3.092 7.660 1.00 0.00 C ATOM 93 C SER A 7 9.577 3.924 6.385 1.00 0.00 C ATOM 94 O SER A 7 9.964 5.094 6.424 1.00 0.00 O ATOM 95 CB SER A 7 8.474 3.737 8.633 1.00 0.00 C ATOM 96 OG SER A 7 8.511 3.080 9.893 1.00 0.00 O ATOM 0 H SER A 7 11.104 3.807 8.730 1.00 0.00 H new ATOM 0 HA SER A 7 9.090 2.105 7.379 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.718 4.792 8.760 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.465 3.691 8.222 1.00 0.00 H new ATOM 0 HG SER A 7 7.875 3.508 10.504 1.00 0.00 H new ATOM 102 N LYS A 8 9.258 3.309 5.258 1.00 0.00 N ATOM 103 CA LYS A 8 9.314 3.985 3.972 1.00 0.00 C ATOM 104 C LYS A 8 7.913 4.141 3.387 1.00 0.00 C ATOM 105 O LYS A 8 7.286 3.157 3.002 1.00 0.00 O ATOM 106 CB LYS A 8 10.199 3.200 2.998 1.00 0.00 C ATOM 107 CG LYS A 8 11.684 3.241 3.327 1.00 0.00 C ATOM 108 CD LYS A 8 12.505 2.643 2.193 1.00 0.00 C ATOM 109 CE LYS A 8 12.412 3.494 0.936 1.00 0.00 C ATOM 110 NZ LYS A 8 12.780 2.741 -0.291 1.00 0.00 N ATOM 0 H LYS A 8 8.956 2.336 5.208 1.00 0.00 H new ATOM 0 HA LYS A 8 9.743 4.975 4.124 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.871 2.161 2.984 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.051 3.594 1.993 1.00 0.00 H new ATOM 0 HG2 LYS A 8 11.994 4.271 3.503 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.872 2.690 4.248 1.00 0.00 H new ATOM 0 HD2 LYS A 8 13.547 2.558 2.501 1.00 0.00 H new ATOM 0 HD3 LYS A 8 12.153 1.634 1.979 1.00 0.00 H new ATOM 0 HE2 LYS A 8 11.396 3.875 0.833 1.00 0.00 H new ATOM 0 HE3 LYS A 8 13.068 4.359 1.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.898 3.404 -1.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 13.672 2.231 -0.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.028 2.060 -0.519 1.00 0.00 H new ATOM 124 N LYS A 9 7.421 5.377 3.339 1.00 0.00 N ATOM 125 CA LYS A 9 6.095 5.653 2.794 1.00 0.00 C ATOM 126 C LYS A 9 6.200 6.325 1.434 1.00 0.00 C ATOM 127 O LYS A 9 6.396 7.530 1.353 1.00 0.00 O ATOM 128 CB LYS A 9 5.288 6.552 3.744 1.00 0.00 C ATOM 129 CG LYS A 9 3.928 6.959 3.187 1.00 0.00 C ATOM 130 CD LYS A 9 3.284 8.073 4.003 1.00 0.00 C ATOM 131 CE LYS A 9 2.716 7.571 5.324 1.00 0.00 C ATOM 132 NZ LYS A 9 1.539 6.684 5.125 1.00 0.00 N ATOM 0 H LYS A 9 7.920 6.202 3.671 1.00 0.00 H new ATOM 0 HA LYS A 9 5.580 4.699 2.683 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.143 6.030 4.690 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.867 7.450 3.961 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.043 7.287 2.154 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.268 6.092 3.174 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.023 8.849 4.200 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.487 8.533 3.419 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.490 7.030 5.869 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.428 8.422 5.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.082 6.502 6.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.861 7.145 4.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.850 5.783 4.708 1.00 0.00 H new ATOM 146 N PHE A 10 6.080 5.565 0.368 1.00 0.00 N ATOM 147 CA PHE A 10 6.076 6.158 -0.959 1.00 0.00 C ATOM 148 C PHE A 10 4.640 6.390 -1.392 1.00 0.00 C ATOM 149 O PHE A 10 3.770 5.578 -1.100 1.00 0.00 O ATOM 150 CB PHE A 10 6.826 5.290 -1.979 1.00 0.00 C ATOM 151 CG PHE A 10 6.028 4.152 -2.561 1.00 0.00 C ATOM 152 CD1 PHE A 10 5.186 4.364 -3.643 1.00 0.00 C ATOM 153 CD2 PHE A 10 6.124 2.875 -2.037 1.00 0.00 C ATOM 154 CE1 PHE A 10 4.455 3.331 -4.186 1.00 0.00 C ATOM 155 CE2 PHE A 10 5.395 1.834 -2.580 1.00 0.00 C ATOM 156 CZ PHE A 10 4.557 2.064 -3.657 1.00 0.00 C ATOM 0 H PHE A 10 5.985 4.550 0.388 1.00 0.00 H new ATOM 0 HA PHE A 10 6.604 7.111 -0.916 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.167 5.928 -2.794 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.716 4.881 -1.500 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.103 5.354 -4.066 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.775 2.690 -1.195 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.802 3.515 -5.026 1.00 0.00 H new ATOM 0 HE2 PHE A 10 5.479 0.841 -2.164 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.985 1.252 -4.081 1.00 0.00 H new ATOM 166 N SER A 11 4.383 7.486 -2.077 1.00 0.00 N ATOM 167 CA SER A 11 3.035 7.794 -2.508 1.00 0.00 C ATOM 168 C SER A 11 3.048 8.441 -3.884 1.00 0.00 C ATOM 169 O SER A 11 3.708 9.455 -4.104 1.00 0.00 O ATOM 170 CB SER A 11 2.337 8.694 -1.482 1.00 0.00 C ATOM 171 OG SER A 11 0.987 8.936 -1.843 1.00 0.00 O ATOM 0 H SER A 11 5.086 8.175 -2.346 1.00 0.00 H new ATOM 0 HA SER A 11 2.472 6.863 -2.580 1.00 0.00 H new ATOM 0 HB2 SER A 11 2.374 8.225 -0.499 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.870 9.641 -1.404 1.00 0.00 H new ATOM 0 HG SER A 11 0.582 8.106 -2.170 1.00 0.00 H new ATOM 177 N ALA A 12 2.333 7.828 -4.814 1.00 0.00 N ATOM 178 CA ALA A 12 2.228 8.354 -6.163 1.00 0.00 C ATOM 179 C ALA A 12 0.767 8.517 -6.558 1.00 0.00 C ATOM 180 O ALA A 12 -0.027 7.578 -6.451 1.00 0.00 O ATOM 181 CB ALA A 12 2.955 7.449 -7.145 1.00 0.00 C ATOM 0 H ALA A 12 1.816 6.963 -4.657 1.00 0.00 H new ATOM 0 HA ALA A 12 2.701 9.336 -6.191 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.866 7.858 -8.151 1.00 0.00 H new ATOM 0 HB2 ALA A 12 4.008 7.386 -6.871 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.513 6.453 -7.118 1.00 0.00 H new ATOM 187 N ASN A 13 0.417 9.720 -6.987 1.00 0.00 N ATOM 188 CA ASN A 13 -0.935 10.018 -7.439 1.00 0.00 C ATOM 189 C ASN A 13 -1.163 9.452 -8.838 1.00 0.00 C ATOM 190 O ASN A 13 -0.613 9.959 -9.816 1.00 0.00 O ATOM 191 CB ASN A 13 -1.159 11.539 -7.431 1.00 0.00 C ATOM 192 CG ASN A 13 -2.489 11.962 -8.037 1.00 0.00 C ATOM 193 OD1 ASN A 13 -3.503 12.132 -7.201 1.00 0.00 O flip ATOM 194 ND2 ASN A 13 -2.596 12.170 -9.246 1.00 0.00 N flip ATOM 0 H ASN A 13 1.057 10.513 -7.032 1.00 0.00 H new ATOM 0 HA ASN A 13 -1.649 9.551 -6.761 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.106 11.900 -6.404 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.350 12.020 -7.980 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -1.794 12.029 -9.861 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.486 12.483 -9.633 1.00 0.00 H new ATOM 201 N LEU A 14 -1.932 8.372 -8.929 1.00 0.00 N ATOM 202 CA LEU A 14 -2.303 7.818 -10.224 1.00 0.00 C ATOM 203 C LEU A 14 -3.513 8.569 -10.780 1.00 0.00 C ATOM 204 O LEU A 14 -3.762 9.715 -10.406 1.00 0.00 O ATOM 205 CB LEU A 14 -2.614 6.321 -10.107 1.00 0.00 C ATOM 206 CG LEU A 14 -1.518 5.451 -9.477 1.00 0.00 C ATOM 207 CD1 LEU A 14 -1.930 3.990 -9.511 1.00 0.00 C ATOM 208 CD2 LEU A 14 -0.184 5.641 -10.185 1.00 0.00 C ATOM 0 H LEU A 14 -2.308 7.867 -8.127 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.463 7.937 -10.908 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.525 6.205 -9.519 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.827 5.936 -11.104 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.392 5.763 -8.440 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.146 3.380 -9.062 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.856 3.860 -8.951 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.084 3.679 -10.544 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.571 5.011 -9.714 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.286 5.363 -11.234 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.120 6.685 -10.114 1.00 0.00 H new ATOM 220 N ASN A 15 -4.258 7.922 -11.668 1.00 0.00 N ATOM 221 CA ASN A 15 -5.415 8.547 -12.305 1.00 0.00 C ATOM 222 C ASN A 15 -6.461 8.977 -11.285 1.00 0.00 C ATOM 223 O ASN A 15 -6.815 10.152 -11.193 1.00 0.00 O ATOM 224 CB ASN A 15 -6.040 7.601 -13.337 1.00 0.00 C ATOM 225 CG ASN A 15 -7.368 8.113 -13.872 1.00 0.00 C ATOM 226 OD1 ASN A 15 -7.408 8.927 -14.794 1.00 0.00 O ATOM 227 ND2 ASN A 15 -8.465 7.620 -13.315 1.00 0.00 N ATOM 0 H ASN A 15 -4.082 6.962 -11.965 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.059 9.443 -12.813 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.346 7.465 -14.167 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -6.189 6.621 -12.883 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -9.383 7.914 -13.649 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -8.391 6.947 -12.552 1.00 0.00 H new ATOM 234 N GLY A 16 -6.938 8.024 -10.521 1.00 0.00 N ATOM 235 CA GLY A 16 -7.978 8.306 -9.551 1.00 0.00 C ATOM 236 C GLY A 16 -7.709 7.671 -8.208 1.00 0.00 C ATOM 237 O GLY A 16 -8.561 7.695 -7.317 1.00 0.00 O ATOM 0 H GLY A 16 -6.628 7.053 -10.548 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.070 9.385 -9.426 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.933 7.947 -9.934 1.00 0.00 H new ATOM 241 N THR A 17 -6.530 7.094 -8.060 1.00 0.00 N ATOM 242 CA THR A 17 -6.150 6.451 -6.819 1.00 0.00 C ATOM 243 C THR A 17 -4.714 6.809 -6.440 1.00 0.00 C ATOM 244 O THR A 17 -3.774 6.527 -7.183 1.00 0.00 O ATOM 245 CB THR A 17 -6.299 4.921 -6.927 1.00 0.00 C ATOM 246 OG1 THR A 17 -7.630 4.596 -7.352 1.00 0.00 O ATOM 247 CG2 THR A 17 -6.010 4.247 -5.595 1.00 0.00 C ATOM 0 H THR A 17 -5.817 7.059 -8.789 1.00 0.00 H new ATOM 0 HA THR A 17 -6.819 6.813 -6.038 1.00 0.00 H new ATOM 0 HB THR A 17 -5.577 4.557 -7.658 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.723 3.623 -7.422 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.123 3.168 -5.701 1.00 0.00 H new ATOM 0 HG22 THR A 17 -4.991 4.476 -5.285 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.709 4.613 -4.843 1.00 0.00 H new ATOM 255 N GLU A 18 -4.551 7.464 -5.300 1.00 0.00 N ATOM 256 CA GLU A 18 -3.225 7.772 -4.788 1.00 0.00 C ATOM 257 C GLU A 18 -2.722 6.609 -3.956 1.00 0.00 C ATOM 258 O GLU A 18 -3.321 6.266 -2.941 1.00 0.00 O ATOM 259 CB GLU A 18 -3.244 9.033 -3.928 1.00 0.00 C ATOM 260 CG GLU A 18 -3.992 10.192 -4.552 1.00 0.00 C ATOM 261 CD GLU A 18 -3.789 11.481 -3.787 1.00 0.00 C ATOM 262 OE1 GLU A 18 -3.343 11.424 -2.623 1.00 0.00 O ATOM 263 OE2 GLU A 18 -4.072 12.557 -4.347 1.00 0.00 O ATOM 0 H GLU A 18 -5.319 7.792 -4.714 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.563 7.943 -5.637 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.698 8.797 -2.965 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.217 9.341 -3.730 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.658 10.326 -5.581 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.056 9.958 -4.590 1.00 0.00 H new ATOM 270 N ILE A 19 -1.637 5.999 -4.381 1.00 0.00 N ATOM 271 CA ILE A 19 -1.115 4.841 -3.682 1.00 0.00 C ATOM 272 C ILE A 19 0.061 5.225 -2.799 1.00 0.00 C ATOM 273 O ILE A 19 1.139 5.558 -3.293 1.00 0.00 O ATOM 274 CB ILE A 19 -0.699 3.733 -4.670 1.00 0.00 C ATOM 275 CG1 ILE A 19 -1.909 3.324 -5.512 1.00 0.00 C ATOM 276 CG2 ILE A 19 -0.131 2.532 -3.927 1.00 0.00 C ATOM 277 CD1 ILE A 19 -1.613 2.247 -6.526 1.00 0.00 C ATOM 0 H ILE A 19 -1.101 6.282 -5.201 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.913 4.453 -3.049 1.00 0.00 H new ATOM 0 HB ILE A 19 0.082 4.116 -5.327 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.700 2.976 -4.848 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.292 4.203 -6.031 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.156 1.763 -4.644 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.744 2.839 -3.355 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.886 2.133 -3.249 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.520 2.012 -7.083 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.845 2.597 -7.215 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.260 1.352 -6.014 1.00 0.00 H new ATOM 289 N ALA A 20 -0.168 5.216 -1.496 1.00 0.00 N ATOM 290 CA ALA A 20 0.888 5.469 -0.533 1.00 0.00 C ATOM 291 C ALA A 20 1.164 4.210 0.268 1.00 0.00 C ATOM 292 O ALA A 20 0.343 3.781 1.074 1.00 0.00 O ATOM 293 CB ALA A 20 0.518 6.627 0.386 1.00 0.00 C ATOM 0 H ALA A 20 -1.082 5.035 -1.080 1.00 0.00 H new ATOM 0 HA ALA A 20 1.794 5.749 -1.070 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.325 6.798 1.099 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.362 7.527 -0.208 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.398 6.385 0.925 1.00 0.00 H new ATOM 299 N ILE A 21 2.312 3.608 0.022 1.00 0.00 N ATOM 300 CA ILE A 21 2.683 2.381 0.697 1.00 0.00 C ATOM 301 C ILE A 21 3.791 2.634 1.707 1.00 0.00 C ATOM 302 O ILE A 21 4.921 2.959 1.345 1.00 0.00 O ATOM 303 CB ILE A 21 3.122 1.285 -0.298 1.00 0.00 C ATOM 304 CG1 ILE A 21 1.979 0.969 -1.269 1.00 0.00 C ATOM 305 CG2 ILE A 21 3.558 0.028 0.446 1.00 0.00 C ATOM 306 CD1 ILE A 21 2.298 -0.133 -2.258 1.00 0.00 C ATOM 0 H ILE A 21 3.005 3.951 -0.643 1.00 0.00 H new ATOM 0 HA ILE A 21 1.795 2.025 1.220 1.00 0.00 H new ATOM 0 HB ILE A 21 3.974 1.653 -0.870 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.097 0.684 -0.695 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.723 1.874 -1.819 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.864 -0.733 -0.273 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.396 0.265 1.102 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.727 -0.349 1.042 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.440 -0.297 -2.909 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.160 0.156 -2.859 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.524 -1.052 -1.718 1.00 0.00 H new ATOM 318 N THR A 22 3.435 2.511 2.971 1.00 0.00 N ATOM 319 CA THR A 22 4.371 2.638 4.064 1.00 0.00 C ATOM 320 C THR A 22 4.879 1.260 4.468 1.00 0.00 C ATOM 321 O THR A 22 4.212 0.542 5.211 1.00 0.00 O ATOM 322 CB THR A 22 3.693 3.290 5.281 1.00 0.00 C ATOM 323 OG1 THR A 22 2.825 4.346 4.842 1.00 0.00 O ATOM 324 CG2 THR A 22 4.728 3.841 6.251 1.00 0.00 C ATOM 0 H THR A 22 2.478 2.318 3.268 1.00 0.00 H new ATOM 0 HA THR A 22 5.201 3.263 3.734 1.00 0.00 H new ATOM 0 HB THR A 22 3.110 2.529 5.800 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.918 3.995 4.720 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.222 4.297 7.102 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.368 3.030 6.600 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.336 4.591 5.746 1.00 0.00 H new ATOM 332 N TYR A 23 6.030 0.867 3.956 1.00 0.00 N ATOM 333 CA TYR A 23 6.578 -0.427 4.307 1.00 0.00 C ATOM 334 C TYR A 23 7.723 -0.285 5.299 1.00 0.00 C ATOM 335 O TYR A 23 8.608 0.563 5.151 1.00 0.00 O ATOM 336 CB TYR A 23 6.990 -1.236 3.065 1.00 0.00 C ATOM 337 CG TYR A 23 7.940 -0.543 2.110 1.00 0.00 C ATOM 338 CD1 TYR A 23 7.459 0.228 1.059 1.00 0.00 C ATOM 339 CD2 TYR A 23 9.315 -0.693 2.238 1.00 0.00 C ATOM 340 CE1 TYR A 23 8.322 0.832 0.165 1.00 0.00 C ATOM 341 CE2 TYR A 23 10.183 -0.086 1.353 1.00 0.00 C ATOM 342 CZ TYR A 23 9.681 0.672 0.317 1.00 0.00 C ATOM 343 OH TYR A 23 10.545 1.268 -0.572 1.00 0.00 O ATOM 0 H TYR A 23 6.595 1.415 3.307 1.00 0.00 H new ATOM 0 HA TYR A 23 5.787 -0.995 4.797 1.00 0.00 H new ATOM 0 HB2 TYR A 23 7.453 -2.165 3.397 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.088 -1.508 2.517 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.393 0.357 0.939 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.711 -1.294 3.043 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.933 1.426 -0.648 1.00 0.00 H new ATOM 0 HE2 TYR A 23 11.250 -0.204 1.472 1.00 0.00 H new ATOM 0 HH TYR A 23 10.149 2.101 -0.904 1.00 0.00 H new ATOM 353 N VAL A 24 7.665 -1.109 6.331 1.00 0.00 N ATOM 354 CA VAL A 24 8.642 -1.109 7.401 1.00 0.00 C ATOM 355 C VAL A 24 9.570 -2.302 7.240 1.00 0.00 C ATOM 356 O VAL A 24 9.147 -3.458 7.351 1.00 0.00 O ATOM 357 CB VAL A 24 7.945 -1.153 8.779 1.00 0.00 C ATOM 358 CG1 VAL A 24 8.941 -1.327 9.913 1.00 0.00 C ATOM 359 CG2 VAL A 24 7.128 0.108 8.994 1.00 0.00 C ATOM 0 H VAL A 24 6.928 -1.805 6.449 1.00 0.00 H new ATOM 0 HA VAL A 24 9.224 -0.189 7.347 1.00 0.00 H new ATOM 0 HB VAL A 24 7.284 -2.019 8.784 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.409 -1.353 10.864 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.487 -2.260 9.777 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.642 -0.493 9.912 1.00 0.00 H new ATOM 0 HG21 VAL A 24 6.642 0.065 9.969 1.00 0.00 H new ATOM 0 HG22 VAL A 24 7.784 0.978 8.954 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.371 0.188 8.214 1.00 0.00 H new ATOM 369 N TYR A 25 10.826 -2.022 6.956 1.00 0.00 N ATOM 370 CA TYR A 25 11.793 -3.069 6.700 1.00 0.00 C ATOM 371 C TYR A 25 12.838 -3.110 7.807 1.00 0.00 C ATOM 372 O TYR A 25 13.088 -2.106 8.481 1.00 0.00 O ATOM 373 CB TYR A 25 12.456 -2.867 5.330 1.00 0.00 C ATOM 374 CG TYR A 25 13.363 -1.656 5.242 1.00 0.00 C ATOM 375 CD1 TYR A 25 12.864 -0.387 4.941 1.00 0.00 C ATOM 376 CD2 TYR A 25 14.731 -1.787 5.455 1.00 0.00 C ATOM 377 CE1 TYR A 25 13.706 0.704 4.863 1.00 0.00 C ATOM 378 CE2 TYR A 25 15.574 -0.699 5.376 1.00 0.00 C ATOM 379 CZ TYR A 25 15.059 0.543 5.081 1.00 0.00 C ATOM 380 OH TYR A 25 15.898 1.630 5.002 1.00 0.00 O ATOM 0 H TYR A 25 11.201 -1.075 6.897 1.00 0.00 H new ATOM 0 HA TYR A 25 11.272 -4.026 6.687 1.00 0.00 H new ATOM 0 HB2 TYR A 25 13.036 -3.757 5.086 1.00 0.00 H new ATOM 0 HB3 TYR A 25 11.677 -2.777 4.573 1.00 0.00 H new ATOM 0 HD1 TYR A 25 11.806 -0.258 4.767 1.00 0.00 H new ATOM 0 HD2 TYR A 25 15.141 -2.759 5.687 1.00 0.00 H new ATOM 0 HE1 TYR A 25 13.307 1.681 4.632 1.00 0.00 H new ATOM 0 HE2 TYR A 25 16.634 -0.821 5.545 1.00 0.00 H new ATOM 0 HH TYR A 25 16.819 1.347 5.183 1.00 0.00 H new ATOM 390 N LYS A 26 13.434 -4.274 7.992 1.00 0.00 N ATOM 391 CA LYS A 26 14.444 -4.471 9.012 1.00 0.00 C ATOM 392 C LYS A 26 15.632 -5.205 8.401 1.00 0.00 C ATOM 393 O LYS A 26 15.663 -6.436 8.355 1.00 0.00 O ATOM 394 CB LYS A 26 13.846 -5.268 10.173 1.00 0.00 C ATOM 395 CG LYS A 26 14.444 -4.951 11.532 1.00 0.00 C ATOM 396 CD LYS A 26 13.570 -5.517 12.640 1.00 0.00 C ATOM 397 CE LYS A 26 13.979 -5.009 14.010 1.00 0.00 C ATOM 398 NZ LYS A 26 12.923 -5.271 15.027 1.00 0.00 N ATOM 0 H LYS A 26 13.231 -5.107 7.440 1.00 0.00 H new ATOM 0 HA LYS A 26 14.786 -3.510 9.396 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.773 -5.081 10.210 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.977 -6.331 9.972 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.448 -5.370 11.602 1.00 0.00 H new ATOM 0 HG3 LYS A 26 14.540 -3.872 11.651 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.530 -5.251 12.452 1.00 0.00 H new ATOM 0 HD3 LYS A 26 13.628 -6.605 12.626 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.908 -5.491 14.316 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.178 -3.939 13.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 13.101 -4.688 15.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.992 -5.032 14.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 12.938 -6.277 15.292 1.00 0.00 H new ATOM 412 N GLY A 27 16.583 -4.438 7.889 1.00 0.00 N ATOM 413 CA GLY A 27 17.696 -5.022 7.171 1.00 0.00 C ATOM 414 C GLY A 27 17.319 -5.334 5.738 1.00 0.00 C ATOM 415 O GLY A 27 16.989 -4.430 4.968 1.00 0.00 O ATOM 0 H GLY A 27 16.603 -3.421 7.958 1.00 0.00 H new ATOM 0 HA2 GLY A 27 18.542 -4.335 7.186 1.00 0.00 H new ATOM 0 HA3 GLY A 27 18.017 -5.935 7.673 1.00 0.00 H new ATOM 419 N ASP A 28 17.353 -6.608 5.379 1.00 0.00 N ATOM 420 CA ASP A 28 16.922 -7.037 4.053 1.00 0.00 C ATOM 421 C ASP A 28 15.509 -7.594 4.102 1.00 0.00 C ATOM 422 O ASP A 28 14.872 -7.795 3.066 1.00 0.00 O ATOM 423 CB ASP A 28 17.877 -8.087 3.481 1.00 0.00 C ATOM 424 CG ASP A 28 18.975 -7.470 2.641 1.00 0.00 C ATOM 425 OD1 ASP A 28 19.753 -6.651 3.175 1.00 0.00 O ATOM 426 OD2 ASP A 28 19.053 -7.788 1.434 1.00 0.00 O ATOM 0 H ASP A 28 17.674 -7.364 5.985 1.00 0.00 H new ATOM 0 HA ASP A 28 16.934 -6.164 3.400 1.00 0.00 H new ATOM 0 HB2 ASP A 28 18.323 -8.653 4.299 1.00 0.00 H new ATOM 0 HB3 ASP A 28 17.313 -8.795 2.874 1.00 0.00 H new ATOM 431 N LYS A 29 15.018 -7.825 5.310 1.00 0.00 N ATOM 432 CA LYS A 29 13.693 -8.390 5.496 1.00 0.00 C ATOM 433 C LYS A 29 12.673 -7.275 5.693 1.00 0.00 C ATOM 434 O LYS A 29 12.715 -6.561 6.694 1.00 0.00 O ATOM 435 CB LYS A 29 13.674 -9.318 6.719 1.00 0.00 C ATOM 436 CG LYS A 29 12.735 -10.517 6.596 1.00 0.00 C ATOM 437 CD LYS A 29 11.302 -10.096 6.308 1.00 0.00 C ATOM 438 CE LYS A 29 10.314 -11.226 6.555 1.00 0.00 C ATOM 439 NZ LYS A 29 10.558 -12.396 5.674 1.00 0.00 N ATOM 0 H LYS A 29 15.519 -7.629 6.177 1.00 0.00 H new ATOM 0 HA LYS A 29 13.436 -8.965 4.607 1.00 0.00 H new ATOM 0 HB2 LYS A 29 14.686 -9.683 6.897 1.00 0.00 H new ATOM 0 HB3 LYS A 29 13.386 -8.737 7.595 1.00 0.00 H new ATOM 0 HG2 LYS A 29 13.087 -11.172 5.799 1.00 0.00 H new ATOM 0 HG3 LYS A 29 12.764 -11.095 7.520 1.00 0.00 H new ATOM 0 HD2 LYS A 29 11.042 -9.244 6.936 1.00 0.00 H new ATOM 0 HD3 LYS A 29 11.223 -9.765 5.272 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.379 -11.540 7.597 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.300 -10.860 6.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.819 -13.110 5.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.538 -12.092 4.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.489 -12.806 5.892 1.00 0.00 H new ATOM 453 N VAL A 30 11.777 -7.111 4.734 1.00 0.00 N ATOM 454 CA VAL A 30 10.656 -6.202 4.909 1.00 0.00 C ATOM 455 C VAL A 30 9.599 -6.910 5.749 1.00 0.00 C ATOM 456 O VAL A 30 9.103 -7.965 5.364 1.00 0.00 O ATOM 457 CB VAL A 30 10.053 -5.756 3.558 1.00 0.00 C ATOM 458 CG1 VAL A 30 9.089 -4.592 3.755 1.00 0.00 C ATOM 459 CG2 VAL A 30 11.153 -5.380 2.577 1.00 0.00 C ATOM 0 H VAL A 30 11.803 -7.590 3.834 1.00 0.00 H new ATOM 0 HA VAL A 30 11.008 -5.300 5.409 1.00 0.00 H new ATOM 0 HB VAL A 30 9.495 -6.594 3.142 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.676 -4.294 2.791 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.279 -4.898 4.417 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.621 -3.750 4.198 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.707 -5.069 1.632 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.742 -4.560 2.988 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.799 -6.241 2.407 1.00 0.00 H new ATOM 469 N LEU A 31 9.284 -6.351 6.907 1.00 0.00 N ATOM 470 CA LEU A 31 8.458 -7.050 7.886 1.00 0.00 C ATOM 471 C LEU A 31 7.014 -6.578 7.863 1.00 0.00 C ATOM 472 O LEU A 31 6.123 -7.262 8.364 1.00 0.00 O ATOM 473 CB LEU A 31 9.035 -6.857 9.289 1.00 0.00 C ATOM 474 CG LEU A 31 10.411 -7.485 9.515 1.00 0.00 C ATOM 475 CD1 LEU A 31 10.945 -7.131 10.889 1.00 0.00 C ATOM 476 CD2 LEU A 31 10.334 -8.991 9.358 1.00 0.00 C ATOM 0 H LEU A 31 9.585 -5.419 7.194 1.00 0.00 H new ATOM 0 HA LEU A 31 8.466 -8.107 7.619 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.102 -5.789 9.494 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.337 -7.277 10.013 1.00 0.00 H new ATOM 0 HG LEU A 31 11.095 -7.086 8.766 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.925 -7.588 11.028 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.034 -6.048 10.977 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.260 -7.501 11.652 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.321 -9.425 9.522 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.633 -9.398 10.087 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.993 -9.235 8.352 1.00 0.00 H new ATOM 488 N LYS A 32 6.776 -5.421 7.275 1.00 0.00 N ATOM 489 CA LYS A 32 5.460 -4.820 7.330 1.00 0.00 C ATOM 490 C LYS A 32 5.233 -3.920 6.125 1.00 0.00 C ATOM 491 O LYS A 32 6.146 -3.236 5.673 1.00 0.00 O ATOM 492 CB LYS A 32 5.341 -4.016 8.624 1.00 0.00 C ATOM 493 CG LYS A 32 3.922 -3.684 9.042 1.00 0.00 C ATOM 494 CD LYS A 32 3.927 -2.864 10.322 1.00 0.00 C ATOM 495 CE LYS A 32 2.526 -2.489 10.767 1.00 0.00 C ATOM 496 NZ LYS A 32 1.712 -3.682 11.125 1.00 0.00 N ATOM 0 H LYS A 32 7.472 -4.883 6.758 1.00 0.00 H new ATOM 0 HA LYS A 32 4.701 -5.602 7.312 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.819 -4.576 9.428 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.897 -3.086 8.509 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.422 -3.129 8.248 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.356 -4.603 9.193 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.418 -3.431 11.113 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.513 -1.958 10.169 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.586 -1.821 11.626 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.028 -1.938 9.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.821 -3.375 11.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.503 -4.230 10.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.242 -4.276 11.794 1.00 0.00 H new ATOM 510 N GLN A 33 4.023 -3.938 5.603 1.00 0.00 N ATOM 511 CA GLN A 33 3.641 -3.088 4.489 1.00 0.00 C ATOM 512 C GLN A 33 2.324 -2.388 4.816 1.00 0.00 C ATOM 513 O GLN A 33 1.502 -2.916 5.558 1.00 0.00 O ATOM 514 CB GLN A 33 3.504 -3.935 3.217 1.00 0.00 C ATOM 515 CG GLN A 33 3.019 -3.173 1.993 1.00 0.00 C ATOM 516 CD GLN A 33 2.910 -4.057 0.763 1.00 0.00 C ATOM 517 OE1 GLN A 33 3.663 -5.006 0.601 1.00 0.00 O ATOM 518 NE2 GLN A 33 1.966 -3.757 -0.109 1.00 0.00 N ATOM 0 H GLN A 33 3.274 -4.543 5.939 1.00 0.00 H new ATOM 0 HA GLN A 33 4.408 -2.332 4.320 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.471 -4.383 2.989 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.813 -4.754 3.415 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.046 -2.731 2.206 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.704 -2.351 1.786 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.354 -2.958 0.057 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.848 -4.324 -0.948 1.00 0.00 H new ATOM 527 N SER A 34 2.142 -1.184 4.313 1.00 0.00 N ATOM 528 CA SER A 34 0.878 -0.486 4.473 1.00 0.00 C ATOM 529 C SER A 34 0.521 0.250 3.188 1.00 0.00 C ATOM 530 O SER A 34 1.015 1.335 2.926 1.00 0.00 O ATOM 531 CB SER A 34 0.947 0.479 5.662 1.00 0.00 C ATOM 532 OG SER A 34 1.255 -0.221 6.856 1.00 0.00 O ATOM 0 H SER A 34 2.850 -0.668 3.791 1.00 0.00 H new ATOM 0 HA SER A 34 0.094 -1.215 4.678 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.704 1.241 5.475 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.006 0.997 5.773 1.00 0.00 H new ATOM 0 HG SER A 34 1.297 0.411 7.604 1.00 0.00 H new ATOM 538 N SER A 35 -0.340 -0.354 2.398 1.00 0.00 N ATOM 539 CA SER A 35 -0.729 0.199 1.119 1.00 0.00 C ATOM 540 C SER A 35 -2.042 0.947 1.262 1.00 0.00 C ATOM 541 O SER A 35 -3.117 0.357 1.276 1.00 0.00 O ATOM 542 CB SER A 35 -0.856 -0.915 0.086 1.00 0.00 C ATOM 543 OG SER A 35 0.368 -1.621 -0.028 1.00 0.00 O ATOM 0 H SER A 35 -0.790 -1.241 2.624 1.00 0.00 H new ATOM 0 HA SER A 35 0.036 0.897 0.780 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.653 -1.600 0.375 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.133 -0.494 -0.881 1.00 0.00 H new ATOM 0 HG SER A 35 0.461 -1.970 -0.939 1.00 0.00 H new ATOM 549 N GLU A 36 -1.923 2.246 1.410 1.00 0.00 N ATOM 550 CA GLU A 36 -3.060 3.111 1.635 1.00 0.00 C ATOM 551 C GLU A 36 -3.457 3.783 0.325 1.00 0.00 C ATOM 552 O GLU A 36 -2.700 4.588 -0.225 1.00 0.00 O ATOM 553 CB GLU A 36 -2.669 4.151 2.680 1.00 0.00 C ATOM 554 CG GLU A 36 -2.051 3.547 3.932 1.00 0.00 C ATOM 555 CD GLU A 36 -1.165 4.526 4.682 1.00 0.00 C ATOM 556 OE1 GLU A 36 -1.709 5.381 5.412 1.00 0.00 O ATOM 557 OE2 GLU A 36 0.077 4.439 4.550 1.00 0.00 O ATOM 0 H GLU A 36 -1.029 2.736 1.378 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.915 2.538 1.995 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.962 4.852 2.237 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.553 4.724 2.960 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.846 3.203 4.594 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.464 2.671 3.656 1.00 0.00 H new ATOM 564 N THR A 37 -4.623 3.433 -0.187 1.00 0.00 N ATOM 565 CA THR A 37 -5.073 3.946 -1.466 1.00 0.00 C ATOM 566 C THR A 37 -6.127 5.040 -1.288 1.00 0.00 C ATOM 567 O THR A 37 -7.156 4.832 -0.650 1.00 0.00 O ATOM 568 CB THR A 37 -5.642 2.816 -2.348 1.00 0.00 C ATOM 569 OG1 THR A 37 -6.615 2.065 -1.618 1.00 0.00 O ATOM 570 CG2 THR A 37 -4.538 1.889 -2.829 1.00 0.00 C ATOM 0 H THR A 37 -5.276 2.794 0.266 1.00 0.00 H new ATOM 0 HA THR A 37 -4.204 4.378 -1.962 1.00 0.00 H new ATOM 0 HB THR A 37 -6.113 3.273 -3.218 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.529 1.114 -1.841 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.968 1.102 -3.448 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.815 2.457 -3.414 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.038 1.442 -1.970 1.00 0.00 H new ATOM 578 N LYS A 38 -5.853 6.214 -1.834 1.00 0.00 N ATOM 579 CA LYS A 38 -6.819 7.299 -1.820 1.00 0.00 C ATOM 580 C LYS A 38 -7.620 7.283 -3.117 1.00 0.00 C ATOM 581 O LYS A 38 -7.139 7.746 -4.151 1.00 0.00 O ATOM 582 CB LYS A 38 -6.120 8.652 -1.648 1.00 0.00 C ATOM 583 CG LYS A 38 -7.090 9.823 -1.576 1.00 0.00 C ATOM 584 CD LYS A 38 -6.392 11.178 -1.534 1.00 0.00 C ATOM 585 CE LYS A 38 -5.626 11.413 -0.236 1.00 0.00 C ATOM 586 NZ LYS A 38 -4.284 10.768 -0.239 1.00 0.00 N ATOM 0 H LYS A 38 -4.970 6.439 -2.292 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.492 7.157 -0.974 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.519 8.630 -0.739 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.434 8.808 -2.480 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.754 9.790 -2.440 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.715 9.715 -0.689 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.702 11.252 -2.375 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.134 11.967 -1.660 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.510 12.485 -0.076 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.209 11.027 0.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.586 11.416 0.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.319 9.891 0.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.008 10.546 -1.217 1.00 0.00 H new ATOM 600 N ILE A 39 -8.821 6.725 -3.064 1.00 0.00 N ATOM 601 CA ILE A 39 -9.659 6.617 -4.252 1.00 0.00 C ATOM 602 C ILE A 39 -10.659 7.766 -4.305 1.00 0.00 C ATOM 603 O ILE A 39 -11.506 7.903 -3.420 1.00 0.00 O ATOM 604 CB ILE A 39 -10.436 5.276 -4.316 1.00 0.00 C ATOM 605 CG1 ILE A 39 -9.494 4.078 -4.153 1.00 0.00 C ATOM 606 CG2 ILE A 39 -11.200 5.164 -5.627 1.00 0.00 C ATOM 607 CD1 ILE A 39 -9.320 3.632 -2.718 1.00 0.00 C ATOM 0 H ILE A 39 -9.237 6.341 -2.215 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.985 6.659 -5.108 1.00 0.00 H new ATOM 0 HB ILE A 39 -11.146 5.265 -3.489 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -9.877 3.243 -4.740 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.518 4.336 -4.565 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.739 4.217 -5.654 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.909 5.988 -5.706 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.500 5.207 -6.461 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.640 2.781 -2.681 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -8.907 4.451 -2.130 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.287 3.342 -2.307 1.00 0.00 H new ATOM 619 N GLN A 40 -10.553 8.590 -5.339 1.00 0.00 N ATOM 620 CA GLN A 40 -11.474 9.703 -5.526 1.00 0.00 C ATOM 621 C GLN A 40 -12.837 9.195 -5.982 1.00 0.00 C ATOM 622 O GLN A 40 -12.922 8.242 -6.760 1.00 0.00 O ATOM 623 CB GLN A 40 -10.930 10.693 -6.560 1.00 0.00 C ATOM 624 CG GLN A 40 -9.638 11.377 -6.147 1.00 0.00 C ATOM 625 CD GLN A 40 -9.766 12.144 -4.845 1.00 0.00 C ATOM 626 OE1 GLN A 40 -10.847 12.614 -4.485 1.00 0.00 O ATOM 627 NE2 GLN A 40 -8.656 12.301 -4.147 1.00 0.00 N ATOM 0 H GLN A 40 -9.838 8.508 -6.062 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.580 10.213 -4.569 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.765 10.166 -7.500 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.686 11.454 -6.751 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -8.853 10.628 -6.046 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -9.326 12.061 -6.937 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -7.782 11.895 -4.481 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -8.673 12.828 -3.274 1.00 0.00 H new ATOM 636 N PHE A 41 -13.897 9.847 -5.514 1.00 0.00 N ATOM 637 CA PHE A 41 -15.258 9.462 -5.881 1.00 0.00 C ATOM 638 C PHE A 41 -15.495 9.607 -7.381 1.00 0.00 C ATOM 639 O PHE A 41 -16.348 8.926 -7.949 1.00 0.00 O ATOM 640 CB PHE A 41 -16.287 10.288 -5.107 1.00 0.00 C ATOM 641 CG PHE A 41 -16.538 9.795 -3.706 1.00 0.00 C ATOM 642 CD1 PHE A 41 -15.714 8.844 -3.124 1.00 0.00 C ATOM 643 CD2 PHE A 41 -17.606 10.287 -2.973 1.00 0.00 C ATOM 644 CE1 PHE A 41 -15.949 8.394 -1.840 1.00 0.00 C ATOM 645 CE2 PHE A 41 -17.845 9.840 -1.688 1.00 0.00 C ATOM 646 CZ PHE A 41 -17.016 8.893 -1.121 1.00 0.00 C ATOM 0 H PHE A 41 -13.841 10.644 -4.880 1.00 0.00 H new ATOM 0 HA PHE A 41 -15.379 8.411 -5.617 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.948 11.323 -5.062 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -17.228 10.285 -5.657 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -14.878 8.450 -3.682 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -18.258 11.028 -3.411 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.299 7.653 -1.399 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -18.681 10.231 -1.127 1.00 0.00 H new ATOM 0 HZ PHE A 41 -17.202 8.543 -0.116 1.00 0.00 H new ATOM 656 N ALA A 42 -14.726 10.476 -8.021 1.00 0.00 N ATOM 657 CA ALA A 42 -14.841 10.689 -9.459 1.00 0.00 C ATOM 658 C ALA A 42 -14.301 9.496 -10.247 1.00 0.00 C ATOM 659 O ALA A 42 -14.690 9.267 -11.390 1.00 0.00 O ATOM 660 CB ALA A 42 -14.110 11.961 -9.861 1.00 0.00 C ATOM 0 H ALA A 42 -14.013 11.047 -7.567 1.00 0.00 H new ATOM 0 HA ALA A 42 -15.899 10.794 -9.698 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.203 12.109 -10.937 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -14.546 12.812 -9.338 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.056 11.874 -9.596 1.00 0.00 H new ATOM 666 N SER A 43 -13.413 8.730 -9.625 1.00 0.00 N ATOM 667 CA SER A 43 -12.784 7.600 -10.296 1.00 0.00 C ATOM 668 C SER A 43 -13.631 6.341 -10.133 1.00 0.00 C ATOM 669 O SER A 43 -13.539 5.409 -10.931 1.00 0.00 O ATOM 670 CB SER A 43 -11.378 7.375 -9.734 1.00 0.00 C ATOM 671 OG SER A 43 -10.662 6.419 -10.498 1.00 0.00 O ATOM 0 H SER A 43 -13.113 8.870 -8.660 1.00 0.00 H new ATOM 0 HA SER A 43 -12.706 7.824 -11.360 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.833 8.319 -9.726 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.448 7.038 -8.700 1.00 0.00 H new ATOM 0 HG SER A 43 -10.027 5.947 -9.920 1.00 0.00 H new ATOM 677 N ILE A 44 -14.455 6.323 -9.096 1.00 0.00 N ATOM 678 CA ILE A 44 -15.323 5.184 -8.827 1.00 0.00 C ATOM 679 C ILE A 44 -16.734 5.439 -9.360 1.00 0.00 C ATOM 680 O ILE A 44 -17.453 4.509 -9.725 1.00 0.00 O ATOM 681 CB ILE A 44 -15.367 4.864 -7.309 1.00 0.00 C ATOM 682 CG1 ILE A 44 -16.448 3.825 -6.989 1.00 0.00 C ATOM 683 CG2 ILE A 44 -15.582 6.128 -6.493 1.00 0.00 C ATOM 684 CD1 ILE A 44 -16.588 3.532 -5.510 1.00 0.00 C ATOM 0 H ILE A 44 -14.542 7.086 -8.425 1.00 0.00 H new ATOM 0 HA ILE A 44 -14.909 4.319 -9.346 1.00 0.00 H new ATOM 0 HB ILE A 44 -14.401 4.439 -7.035 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -17.405 4.178 -7.373 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -16.216 2.898 -7.514 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -15.609 5.876 -5.433 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -14.765 6.825 -6.680 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -16.526 6.590 -6.780 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -17.371 2.789 -5.359 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -15.644 3.148 -5.124 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -16.851 4.448 -4.981 1.00 0.00 H new ATOM 696 N GLY A 45 -17.113 6.709 -9.430 1.00 0.00 N ATOM 697 CA GLY A 45 -18.448 7.060 -9.864 1.00 0.00 C ATOM 698 C GLY A 45 -19.412 7.104 -8.700 1.00 0.00 C ATOM 699 O GLY A 45 -20.604 6.833 -8.848 1.00 0.00 O ATOM 0 H GLY A 45 -16.517 7.502 -9.193 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -18.428 8.031 -10.359 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -18.796 6.335 -10.599 1.00 0.00 H new ATOM 703 N ALA A 46 -18.885 7.454 -7.537 1.00 0.00 N ATOM 704 CA ALA A 46 -19.667 7.475 -6.315 1.00 0.00 C ATOM 705 C ALA A 46 -20.241 8.858 -6.062 1.00 0.00 C ATOM 706 O ALA A 46 -19.525 9.858 -6.127 1.00 0.00 O ATOM 707 CB ALA A 46 -18.816 7.034 -5.135 1.00 0.00 C ATOM 0 H ALA A 46 -17.910 7.729 -7.416 1.00 0.00 H new ATOM 0 HA ALA A 46 -20.497 6.777 -6.431 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -19.416 7.055 -4.225 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -18.453 6.021 -5.307 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -17.968 7.710 -5.025 1.00 0.00 H new ATOM 713 N THR A 47 -21.532 8.912 -5.786 1.00 0.00 N ATOM 714 CA THR A 47 -22.188 10.168 -5.464 1.00 0.00 C ATOM 715 C THR A 47 -22.004 10.495 -3.986 1.00 0.00 C ATOM 716 O THR A 47 -21.956 11.659 -3.583 1.00 0.00 O ATOM 717 CB THR A 47 -23.691 10.099 -5.788 1.00 0.00 C ATOM 718 OG1 THR A 47 -24.286 8.992 -5.096 1.00 0.00 O ATOM 719 CG2 THR A 47 -23.916 9.946 -7.285 1.00 0.00 C ATOM 0 H THR A 47 -22.148 8.099 -5.778 1.00 0.00 H new ATOM 0 HA THR A 47 -21.732 10.951 -6.070 1.00 0.00 H new ATOM 0 HB THR A 47 -24.156 11.029 -5.461 1.00 0.00 H new ATOM 0 HG1 THR A 47 -24.164 8.174 -5.622 1.00 0.00 H new ATOM 0 HG21 THR A 47 -24.986 9.899 -7.489 1.00 0.00 H new ATOM 0 HG22 THR A 47 -23.484 10.800 -7.807 1.00 0.00 H new ATOM 0 HG23 THR A 47 -23.440 9.029 -7.633 1.00 0.00 H new ATOM 727 N THR A 48 -21.883 9.446 -3.189 1.00 0.00 N ATOM 728 CA THR A 48 -21.741 9.576 -1.754 1.00 0.00 C ATOM 729 C THR A 48 -21.050 8.329 -1.204 1.00 0.00 C ATOM 730 O THR A 48 -20.628 7.462 -1.975 1.00 0.00 O ATOM 731 CB THR A 48 -23.121 9.776 -1.081 1.00 0.00 C ATOM 732 OG1 THR A 48 -22.975 10.065 0.316 1.00 0.00 O ATOM 733 CG2 THR A 48 -23.997 8.542 -1.257 1.00 0.00 C ATOM 0 H THR A 48 -21.881 8.482 -3.522 1.00 0.00 H new ATOM 0 HA THR A 48 -21.134 10.454 -1.532 1.00 0.00 H new ATOM 0 HB THR A 48 -23.602 10.624 -1.569 1.00 0.00 H new ATOM 0 HG1 THR A 48 -23.860 10.189 0.719 1.00 0.00 H new ATOM 0 HG21 THR A 48 -24.961 8.708 -0.775 1.00 0.00 H new ATOM 0 HG22 THR A 48 -24.150 8.353 -2.320 1.00 0.00 H new ATOM 0 HG23 THR A 48 -23.508 7.681 -0.802 1.00 0.00 H new ATOM 741 N LYS A 49 -20.950 8.233 0.115 1.00 0.00 N ATOM 742 CA LYS A 49 -20.250 7.127 0.758 1.00 0.00 C ATOM 743 C LYS A 49 -20.939 5.791 0.481 1.00 0.00 C ATOM 744 O LYS A 49 -20.308 4.739 0.560 1.00 0.00 O ATOM 745 CB LYS A 49 -20.139 7.361 2.268 1.00 0.00 C ATOM 746 CG LYS A 49 -21.477 7.451 2.986 1.00 0.00 C ATOM 747 CD LYS A 49 -21.289 7.689 4.476 1.00 0.00 C ATOM 748 CE LYS A 49 -22.616 7.693 5.220 1.00 0.00 C ATOM 749 NZ LYS A 49 -23.511 8.798 4.778 1.00 0.00 N ATOM 0 H LYS A 49 -21.347 8.912 0.765 1.00 0.00 H new ATOM 0 HA LYS A 49 -19.247 7.084 0.333 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -19.557 6.551 2.708 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -19.584 8.283 2.441 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -22.068 8.261 2.558 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -22.038 6.530 2.831 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -20.643 6.914 4.889 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -20.783 8.642 4.631 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -23.119 6.738 5.066 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -22.429 7.786 6.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -24.350 8.832 5.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -23.001 9.703 4.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -23.808 8.632 3.795 1.00 0.00 H new ATOM 763 N GLU A 50 -22.230 5.838 0.151 1.00 0.00 N ATOM 764 CA GLU A 50 -22.979 4.627 -0.166 1.00 0.00 C ATOM 765 C GLU A 50 -22.362 3.916 -1.366 1.00 0.00 C ATOM 766 O GLU A 50 -21.970 2.755 -1.271 1.00 0.00 O ATOM 767 CB GLU A 50 -24.448 4.937 -0.457 1.00 0.00 C ATOM 768 CG GLU A 50 -25.294 3.684 -0.622 1.00 0.00 C ATOM 769 CD GLU A 50 -26.699 3.959 -1.109 1.00 0.00 C ATOM 770 OE1 GLU A 50 -27.521 4.454 -0.312 1.00 0.00 O ATOM 771 OE2 GLU A 50 -26.994 3.662 -2.290 1.00 0.00 O ATOM 0 H GLU A 50 -22.775 6.699 0.097 1.00 0.00 H new ATOM 0 HA GLU A 50 -22.930 3.976 0.707 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -24.855 5.540 0.355 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -24.515 5.537 -1.365 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -24.800 3.013 -1.325 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -25.346 3.163 0.334 1.00 0.00 H new ATOM 778 N ASP A 51 -22.268 4.628 -2.488 1.00 0.00 N ATOM 779 CA ASP A 51 -21.704 4.064 -3.715 1.00 0.00 C ATOM 780 C ASP A 51 -20.270 3.616 -3.480 1.00 0.00 C ATOM 781 O ASP A 51 -19.821 2.607 -4.027 1.00 0.00 O ATOM 782 CB ASP A 51 -21.732 5.077 -4.863 1.00 0.00 C ATOM 783 CG ASP A 51 -23.128 5.495 -5.271 1.00 0.00 C ATOM 784 OD1 ASP A 51 -24.064 4.676 -5.151 1.00 0.00 O ATOM 785 OD2 ASP A 51 -23.292 6.651 -5.722 1.00 0.00 O ATOM 0 H ASP A 51 -22.575 5.597 -2.573 1.00 0.00 H new ATOM 0 HA ASP A 51 -22.318 3.207 -3.992 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -21.169 5.962 -4.568 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -21.224 4.648 -5.727 1.00 0.00 H new ATOM 790 N ALA A 52 -19.557 4.384 -2.660 1.00 0.00 N ATOM 791 CA ALA A 52 -18.190 4.051 -2.295 1.00 0.00 C ATOM 792 C ALA A 52 -18.142 2.695 -1.611 1.00 0.00 C ATOM 793 O ALA A 52 -17.360 1.830 -1.991 1.00 0.00 O ATOM 794 CB ALA A 52 -17.600 5.128 -1.396 1.00 0.00 C ATOM 0 H ALA A 52 -19.908 5.243 -2.237 1.00 0.00 H new ATOM 0 HA ALA A 52 -17.590 4.000 -3.204 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.576 4.862 -1.133 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -17.603 6.083 -1.922 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -18.198 5.212 -0.488 1.00 0.00 H new ATOM 800 N ALA A 53 -19.000 2.505 -0.619 1.00 0.00 N ATOM 801 CA ALA A 53 -19.083 1.238 0.088 1.00 0.00 C ATOM 802 C ALA A 53 -19.506 0.119 -0.859 1.00 0.00 C ATOM 803 O ALA A 53 -18.813 -0.883 -0.992 1.00 0.00 O ATOM 804 CB ALA A 53 -20.050 1.340 1.258 1.00 0.00 C ATOM 0 H ALA A 53 -19.651 3.216 -0.285 1.00 0.00 H new ATOM 0 HA ALA A 53 -18.094 1.000 0.479 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -20.098 0.381 1.775 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -19.704 2.108 1.950 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -21.041 1.604 0.889 1.00 0.00 H new ATOM 810 N LYS A 54 -20.623 0.324 -1.549 1.00 0.00 N ATOM 811 CA LYS A 54 -21.185 -0.679 -2.459 1.00 0.00 C ATOM 812 C LYS A 54 -20.144 -1.233 -3.433 1.00 0.00 C ATOM 813 O LYS A 54 -20.207 -2.401 -3.816 1.00 0.00 O ATOM 814 CB LYS A 54 -22.356 -0.073 -3.238 1.00 0.00 C ATOM 815 CG LYS A 54 -23.596 0.141 -2.387 1.00 0.00 C ATOM 816 CD LYS A 54 -24.354 1.399 -2.786 1.00 0.00 C ATOM 817 CE LYS A 54 -24.902 1.336 -4.200 1.00 0.00 C ATOM 818 NZ LYS A 54 -25.639 2.581 -4.551 1.00 0.00 N ATOM 0 H LYS A 54 -21.166 1.186 -1.497 1.00 0.00 H new ATOM 0 HA LYS A 54 -21.533 -1.513 -1.849 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -22.046 0.882 -3.663 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -22.605 -0.727 -4.073 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -24.254 -0.723 -2.481 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -23.308 0.209 -1.338 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -25.177 1.557 -2.090 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -23.691 2.260 -2.697 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -24.083 1.185 -4.903 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -25.567 0.478 -4.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -26.369 2.364 -5.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -26.089 2.970 -3.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -24.975 3.280 -4.941 1.00 0.00 H new ATOM 832 N THR A 55 -19.183 -0.403 -3.815 1.00 0.00 N ATOM 833 CA THR A 55 -18.180 -0.817 -4.781 1.00 0.00 C ATOM 834 C THR A 55 -16.863 -1.234 -4.105 1.00 0.00 C ATOM 835 O THR A 55 -16.269 -2.250 -4.471 1.00 0.00 O ATOM 836 CB THR A 55 -17.897 0.315 -5.784 1.00 0.00 C ATOM 837 OG1 THR A 55 -19.134 0.930 -6.180 1.00 0.00 O ATOM 838 CG2 THR A 55 -17.176 -0.213 -7.015 1.00 0.00 C ATOM 0 H THR A 55 -19.078 0.552 -3.473 1.00 0.00 H new ATOM 0 HA THR A 55 -18.584 -1.683 -5.304 1.00 0.00 H new ATOM 0 HB THR A 55 -17.256 1.050 -5.298 1.00 0.00 H new ATOM 0 HG1 THR A 55 -19.441 1.534 -5.472 1.00 0.00 H new ATOM 0 HG21 THR A 55 -16.989 0.608 -7.707 1.00 0.00 H new ATOM 0 HG22 THR A 55 -16.228 -0.660 -6.717 1.00 0.00 H new ATOM 0 HG23 THR A 55 -17.794 -0.966 -7.504 1.00 0.00 H new ATOM 846 N LEU A 56 -16.419 -0.468 -3.110 1.00 0.00 N ATOM 847 CA LEU A 56 -15.087 -0.665 -2.530 1.00 0.00 C ATOM 848 C LEU A 56 -15.094 -1.665 -1.375 1.00 0.00 C ATOM 849 O LEU A 56 -14.034 -2.138 -0.960 1.00 0.00 O ATOM 850 CB LEU A 56 -14.502 0.669 -2.055 1.00 0.00 C ATOM 851 CG LEU A 56 -14.398 1.759 -3.127 1.00 0.00 C ATOM 852 CD1 LEU A 56 -13.825 3.037 -2.535 1.00 0.00 C ATOM 853 CD2 LEU A 56 -13.546 1.284 -4.296 1.00 0.00 C ATOM 0 H LEU A 56 -16.956 0.290 -2.689 1.00 0.00 H new ATOM 0 HA LEU A 56 -14.461 -1.078 -3.320 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -15.116 1.045 -1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -13.507 0.486 -1.649 1.00 0.00 H new ATOM 0 HG LEU A 56 -15.401 1.970 -3.498 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -13.759 3.800 -3.311 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -14.474 3.390 -1.734 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -12.831 2.839 -2.135 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -13.485 2.073 -5.046 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -12.544 1.042 -3.941 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -13.998 0.397 -4.739 1.00 0.00 H new ATOM 865 N GLU A 57 -16.267 -1.984 -0.843 1.00 0.00 N ATOM 866 CA GLU A 57 -16.368 -2.998 0.203 1.00 0.00 C ATOM 867 C GLU A 57 -15.909 -4.365 -0.320 1.00 0.00 C ATOM 868 O GLU A 57 -15.010 -4.964 0.260 1.00 0.00 O ATOM 869 CB GLU A 57 -17.789 -3.074 0.772 1.00 0.00 C ATOM 870 CG GLU A 57 -18.133 -1.946 1.727 1.00 0.00 C ATOM 871 CD GLU A 57 -17.580 -2.168 3.115 1.00 0.00 C ATOM 872 OE1 GLU A 57 -17.936 -3.190 3.740 1.00 0.00 O ATOM 873 OE2 GLU A 57 -16.799 -1.325 3.593 1.00 0.00 O ATOM 0 H GLU A 57 -17.155 -1.561 -1.114 1.00 0.00 H new ATOM 0 HA GLU A 57 -15.705 -2.706 1.017 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -18.501 -3.067 -0.054 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -17.911 -4.025 1.290 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -17.743 -1.008 1.331 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -19.216 -1.842 1.784 1.00 0.00 H new ATOM 880 N PRO A 58 -16.501 -4.885 -1.430 1.00 0.00 N ATOM 881 CA PRO A 58 -16.012 -6.115 -2.073 1.00 0.00 C ATOM 882 C PRO A 58 -14.530 -6.030 -2.437 1.00 0.00 C ATOM 883 O PRO A 58 -13.827 -7.041 -2.489 1.00 0.00 O ATOM 884 CB PRO A 58 -16.847 -6.222 -3.351 1.00 0.00 C ATOM 885 CG PRO A 58 -18.085 -5.445 -3.077 1.00 0.00 C ATOM 886 CD PRO A 58 -17.704 -4.358 -2.112 1.00 0.00 C ATOM 0 HA PRO A 58 -16.108 -6.973 -1.408 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -16.309 -5.816 -4.207 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -17.078 -7.261 -3.584 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -18.489 -5.022 -3.997 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -18.859 -6.085 -2.654 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -17.491 -3.423 -2.629 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -18.507 -4.155 -1.403 1.00 0.00 H new ATOM 894 N LEU A 59 -14.066 -4.813 -2.682 1.00 0.00 N ATOM 895 CA LEU A 59 -12.680 -4.575 -3.057 1.00 0.00 C ATOM 896 C LEU A 59 -11.744 -4.922 -1.902 1.00 0.00 C ATOM 897 O LEU A 59 -10.884 -5.794 -2.029 1.00 0.00 O ATOM 898 CB LEU A 59 -12.501 -3.110 -3.467 1.00 0.00 C ATOM 899 CG LEU A 59 -11.135 -2.747 -4.048 1.00 0.00 C ATOM 900 CD1 LEU A 59 -10.955 -3.369 -5.424 1.00 0.00 C ATOM 901 CD2 LEU A 59 -10.977 -1.237 -4.119 1.00 0.00 C ATOM 0 H LEU A 59 -14.635 -3.968 -2.627 1.00 0.00 H new ATOM 0 HA LEU A 59 -12.428 -5.215 -3.902 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -13.266 -2.862 -4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -12.683 -2.483 -2.594 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.362 -3.146 -3.391 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.976 -3.099 -5.820 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.028 -4.454 -5.345 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -11.732 -3.001 -6.094 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.999 -0.993 -4.535 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -11.757 -0.819 -4.756 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -11.061 -0.815 -3.118 1.00 0.00 H new ATOM 913 N SER A 60 -11.946 -4.268 -0.767 1.00 0.00 N ATOM 914 CA SER A 60 -11.076 -4.440 0.390 1.00 0.00 C ATOM 915 C SER A 60 -11.390 -5.736 1.140 1.00 0.00 C ATOM 916 O SER A 60 -10.569 -6.229 1.915 1.00 0.00 O ATOM 917 CB SER A 60 -11.225 -3.242 1.325 1.00 0.00 C ATOM 918 OG SER A 60 -12.593 -2.979 1.584 1.00 0.00 O ATOM 0 H SER A 60 -12.710 -3.608 -0.621 1.00 0.00 H new ATOM 0 HA SER A 60 -10.047 -4.503 0.037 1.00 0.00 H new ATOM 0 HB2 SER A 60 -10.703 -3.438 2.262 1.00 0.00 H new ATOM 0 HB3 SER A 60 -10.759 -2.364 0.878 1.00 0.00 H new ATOM 0 HG SER A 60 -12.707 -2.740 2.527 1.00 0.00 H new ATOM 924 N ALA A 61 -12.571 -6.298 0.880 1.00 0.00 N ATOM 925 CA ALA A 61 -13.022 -7.521 1.552 1.00 0.00 C ATOM 926 C ALA A 61 -12.169 -8.731 1.182 1.00 0.00 C ATOM 927 O ALA A 61 -12.443 -9.847 1.612 1.00 0.00 O ATOM 928 CB ALA A 61 -14.479 -7.803 1.223 1.00 0.00 C ATOM 0 H ALA A 61 -13.238 -5.924 0.205 1.00 0.00 H new ATOM 0 HA ALA A 61 -12.915 -7.352 2.623 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -14.797 -8.714 1.730 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -15.095 -6.968 1.556 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.591 -7.929 0.146 1.00 0.00 H new ATOM 934 N LYS A 62 -11.143 -8.512 0.378 1.00 0.00 N ATOM 935 CA LYS A 62 -10.227 -9.577 0.014 1.00 0.00 C ATOM 936 C LYS A 62 -9.234 -9.844 1.142 1.00 0.00 C ATOM 937 O LYS A 62 -8.728 -10.955 1.279 1.00 0.00 O ATOM 938 CB LYS A 62 -9.473 -9.222 -1.267 1.00 0.00 C ATOM 939 CG LYS A 62 -10.372 -9.007 -2.472 1.00 0.00 C ATOM 940 CD LYS A 62 -9.555 -8.749 -3.728 1.00 0.00 C ATOM 941 CE LYS A 62 -10.440 -8.405 -4.912 1.00 0.00 C ATOM 942 NZ LYS A 62 -11.201 -7.150 -4.686 1.00 0.00 N ATOM 0 H LYS A 62 -10.924 -7.605 -0.035 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.812 -10.480 -0.159 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -8.890 -8.317 -1.095 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -8.765 -10.019 -1.492 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.003 -9.883 -2.619 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.037 -8.163 -2.287 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.856 -7.932 -3.546 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.960 -9.631 -3.963 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.826 -8.302 -5.807 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.136 -9.224 -5.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.207 -7.374 -4.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.832 -6.667 -3.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.098 -6.528 -5.513 1.00 0.00 H new ATOM 956 N TYR A 63 -8.982 -8.830 1.966 1.00 0.00 N ATOM 957 CA TYR A 63 -7.978 -8.935 3.024 1.00 0.00 C ATOM 958 C TYR A 63 -8.613 -9.292 4.363 1.00 0.00 C ATOM 959 O TYR A 63 -8.018 -9.036 5.406 1.00 0.00 O ATOM 960 CB TYR A 63 -7.230 -7.611 3.203 1.00 0.00 C ATOM 961 CG TYR A 63 -6.491 -7.107 1.985 1.00 0.00 C ATOM 962 CD1 TYR A 63 -7.143 -6.371 1.003 1.00 0.00 C ATOM 963 CD2 TYR A 63 -5.129 -7.330 1.844 1.00 0.00 C ATOM 964 CE1 TYR A 63 -6.456 -5.871 -0.086 1.00 0.00 C ATOM 965 CE2 TYR A 63 -4.438 -6.843 0.756 1.00 0.00 C ATOM 966 CZ TYR A 63 -5.104 -6.109 -0.203 1.00 0.00 C ATOM 967 OH TYR A 63 -4.413 -5.605 -1.277 1.00 0.00 O ATOM 0 H TYR A 63 -9.457 -7.928 1.923 1.00 0.00 H new ATOM 0 HA TYR A 63 -7.289 -9.723 2.719 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.946 -6.849 3.512 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -6.515 -7.726 4.018 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -8.203 -6.187 1.093 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -4.602 -7.894 2.599 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.975 -5.298 -0.840 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -3.380 -7.035 0.655 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.663 -6.097 -2.087 1.00 0.00 H new ATOM 977 N LYS A 64 -9.805 -9.886 4.336 1.00 0.00 N ATOM 978 CA LYS A 64 -10.559 -10.176 5.563 1.00 0.00 C ATOM 979 C LYS A 64 -9.809 -11.119 6.518 1.00 0.00 C ATOM 980 O LYS A 64 -10.020 -12.330 6.521 1.00 0.00 O ATOM 981 CB LYS A 64 -11.961 -10.718 5.226 1.00 0.00 C ATOM 982 CG LYS A 64 -12.030 -11.609 3.984 1.00 0.00 C ATOM 983 CD LYS A 64 -11.655 -13.055 4.268 1.00 0.00 C ATOM 984 CE LYS A 64 -12.629 -13.704 5.236 1.00 0.00 C ATOM 985 NZ LYS A 64 -12.281 -15.123 5.506 1.00 0.00 N ATOM 0 H LYS A 64 -10.273 -10.178 3.478 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.671 -9.232 6.095 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.330 -11.284 6.081 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.636 -9.874 5.087 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.040 -11.575 3.575 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.363 -11.210 3.220 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.639 -13.618 3.335 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.648 -13.096 4.682 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.634 -13.147 6.173 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.638 -13.649 4.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.970 -15.529 6.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.301 -15.661 4.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -11.328 -15.174 5.920 1.00 0.00 H new ATOM 999 N ASN A 65 -8.926 -10.530 7.321 1.00 0.00 N ATOM 1000 CA ASN A 65 -8.127 -11.250 8.314 1.00 0.00 C ATOM 1001 C ASN A 65 -7.492 -12.510 7.720 1.00 0.00 C ATOM 1002 O ASN A 65 -7.833 -13.634 8.092 1.00 0.00 O ATOM 1003 CB ASN A 65 -8.965 -11.602 9.548 1.00 0.00 C ATOM 1004 CG ASN A 65 -8.109 -12.003 10.741 1.00 0.00 C ATOM 1005 OD1 ASN A 65 -7.721 -11.161 11.553 1.00 0.00 O ATOM 1006 ND2 ASN A 65 -7.808 -13.286 10.857 1.00 0.00 N ATOM 0 H ASN A 65 -8.742 -9.527 7.301 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.322 -10.584 8.624 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.582 -10.746 9.820 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -9.643 -12.419 9.301 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.237 -13.607 11.639 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -8.147 -13.954 10.165 1.00 0.00 H new ATOM 1013 N ILE A 66 -6.607 -12.314 6.753 1.00 0.00 N ATOM 1014 CA ILE A 66 -5.822 -13.413 6.201 1.00 0.00 C ATOM 1015 C ILE A 66 -4.587 -13.612 7.068 1.00 0.00 C ATOM 1016 O ILE A 66 -4.054 -14.715 7.205 1.00 0.00 O ATOM 1017 CB ILE A 66 -5.367 -13.119 4.754 1.00 0.00 C ATOM 1018 CG1 ILE A 66 -6.542 -12.626 3.908 1.00 0.00 C ATOM 1019 CG2 ILE A 66 -4.744 -14.362 4.128 1.00 0.00 C ATOM 1020 CD1 ILE A 66 -6.147 -12.233 2.500 1.00 0.00 C ATOM 0 H ILE A 66 -6.413 -11.405 6.333 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.446 -14.306 6.188 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.613 -12.332 4.785 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -7.299 -13.409 3.860 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.001 -11.769 4.401 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.429 -14.137 3.109 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.879 -14.671 4.715 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.478 -15.168 4.112 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -7.028 -11.893 1.956 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.412 -11.429 2.539 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.715 -13.094 1.990 1.00 0.00 H new ATOM 1032 N ALA A 67 -4.171 -12.512 7.671 1.00 0.00 N ATOM 1033 CA ALA A 67 -2.965 -12.444 8.469 1.00 0.00 C ATOM 1034 C ALA A 67 -3.007 -11.159 9.273 1.00 0.00 C ATOM 1035 O ALA A 67 -4.088 -10.708 9.652 1.00 0.00 O ATOM 1036 CB ALA A 67 -1.741 -12.471 7.567 1.00 0.00 C ATOM 0 H ALA A 67 -4.673 -11.626 7.617 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.904 -13.300 9.141 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.839 -12.419 8.176 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.736 -13.395 6.988 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.770 -11.618 6.889 1.00 0.00 H new ATOM 1042 N GLY A 68 -1.852 -10.558 9.514 1.00 0.00 N ATOM 1043 CA GLY A 68 -1.823 -9.247 10.135 1.00 0.00 C ATOM 1044 C GLY A 68 -2.171 -8.154 9.139 1.00 0.00 C ATOM 1045 O GLY A 68 -1.492 -7.129 9.066 1.00 0.00 O ATOM 0 H GLY A 68 -0.937 -10.951 9.293 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.527 -9.221 10.967 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.832 -9.061 10.550 1.00 0.00 H new ATOM 1049 N VAL A 69 -3.226 -8.387 8.365 1.00 0.00 N ATOM 1050 CA VAL A 69 -3.656 -7.449 7.344 1.00 0.00 C ATOM 1051 C VAL A 69 -4.899 -6.695 7.787 1.00 0.00 C ATOM 1052 O VAL A 69 -5.893 -7.295 8.194 1.00 0.00 O ATOM 1053 CB VAL A 69 -3.932 -8.131 5.980 1.00 0.00 C ATOM 1054 CG1 VAL A 69 -2.632 -8.475 5.274 1.00 0.00 C ATOM 1055 CG2 VAL A 69 -4.785 -9.379 6.146 1.00 0.00 C ATOM 0 H VAL A 69 -3.801 -9.227 8.430 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.829 -6.752 7.208 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.486 -7.421 5.366 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.852 -8.953 4.319 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.060 -7.564 5.101 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.050 -9.156 5.895 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.960 -9.833 5.170 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.268 -10.090 6.790 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.740 -9.110 6.597 1.00 0.00 H new ATOM 1065 N GLU A 70 -4.822 -5.380 7.720 1.00 0.00 N ATOM 1066 CA GLU A 70 -5.936 -4.529 8.095 1.00 0.00 C ATOM 1067 C GLU A 70 -6.494 -3.813 6.873 1.00 0.00 C ATOM 1068 O GLU A 70 -5.839 -2.944 6.297 1.00 0.00 O ATOM 1069 CB GLU A 70 -5.496 -3.499 9.139 1.00 0.00 C ATOM 1070 CG GLU A 70 -4.972 -4.112 10.427 1.00 0.00 C ATOM 1071 CD GLU A 70 -4.551 -3.060 11.432 1.00 0.00 C ATOM 1072 OE1 GLU A 70 -5.425 -2.531 12.150 1.00 0.00 O ATOM 1073 OE2 GLU A 70 -3.345 -2.746 11.503 1.00 0.00 O ATOM 0 H GLU A 70 -3.993 -4.874 7.407 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.715 -5.159 8.524 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.720 -2.867 8.707 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.340 -2.851 9.374 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.744 -4.744 10.867 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.123 -4.757 10.201 1.00 0.00 H new ATOM 1080 N GLU A 71 -7.692 -4.200 6.470 1.00 0.00 N ATOM 1081 CA GLU A 71 -8.400 -3.528 5.390 1.00 0.00 C ATOM 1082 C GLU A 71 -9.259 -2.417 5.974 1.00 0.00 C ATOM 1083 O GLU A 71 -10.385 -2.647 6.412 1.00 0.00 O ATOM 1084 CB GLU A 71 -9.260 -4.517 4.586 1.00 0.00 C ATOM 1085 CG GLU A 71 -9.458 -5.881 5.246 1.00 0.00 C ATOM 1086 CD GLU A 71 -10.226 -5.821 6.551 1.00 0.00 C ATOM 1087 OE1 GLU A 71 -11.467 -5.914 6.520 1.00 0.00 O ATOM 1088 OE2 GLU A 71 -9.585 -5.687 7.615 1.00 0.00 O ATOM 0 H GLU A 71 -8.200 -4.984 6.878 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.671 -3.100 4.701 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.238 -4.068 4.413 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.800 -4.666 3.609 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.986 -6.536 4.554 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.482 -6.331 5.429 1.00 0.00 H new ATOM 1095 N LYS A 72 -8.719 -1.215 6.007 1.00 0.00 N ATOM 1096 CA LYS A 72 -9.352 -0.131 6.734 1.00 0.00 C ATOM 1097 C LYS A 72 -9.887 0.937 5.784 1.00 0.00 C ATOM 1098 O LYS A 72 -9.146 1.809 5.333 1.00 0.00 O ATOM 1099 CB LYS A 72 -8.331 0.460 7.708 1.00 0.00 C ATOM 1100 CG LYS A 72 -8.934 1.104 8.943 1.00 0.00 C ATOM 1101 CD LYS A 72 -7.900 1.200 10.057 1.00 0.00 C ATOM 1102 CE LYS A 72 -7.427 -0.182 10.493 1.00 0.00 C ATOM 1103 NZ LYS A 72 -6.295 -0.119 11.459 1.00 0.00 N ATOM 0 H LYS A 72 -7.847 -0.964 5.541 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.208 -0.516 7.288 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.649 -0.330 8.023 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.734 1.204 7.181 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.304 2.099 8.697 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.790 0.520 9.283 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.048 1.788 9.716 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.329 1.726 10.910 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.259 -0.720 10.947 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.120 -0.751 9.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.187 -1.041 11.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.418 0.116 10.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.488 0.612 12.173 1.00 0.00 H new ATOM 1117 N LEU A 73 -11.175 0.844 5.468 1.00 0.00 N ATOM 1118 CA LEU A 73 -11.831 1.828 4.615 1.00 0.00 C ATOM 1119 C LEU A 73 -12.295 3.017 5.435 1.00 0.00 C ATOM 1120 O LEU A 73 -13.270 2.920 6.178 1.00 0.00 O ATOM 1121 CB LEU A 73 -13.043 1.218 3.904 1.00 0.00 C ATOM 1122 CG LEU A 73 -12.740 0.307 2.715 1.00 0.00 C ATOM 1123 CD1 LEU A 73 -14.030 -0.293 2.177 1.00 0.00 C ATOM 1124 CD2 LEU A 73 -12.024 1.079 1.620 1.00 0.00 C ATOM 0 H LEU A 73 -11.786 0.094 5.791 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.103 2.153 3.871 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.618 0.648 4.634 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.682 2.030 3.559 1.00 0.00 H new ATOM 0 HG LEU A 73 -12.087 -0.499 3.051 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -13.804 -0.941 1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -14.515 -0.876 2.960 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -14.697 0.507 1.855 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.817 0.414 0.782 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.655 1.902 1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.086 1.476 2.008 1.00 0.00 H new ATOM 1136 N THR A 74 -11.609 4.135 5.304 1.00 0.00 N ATOM 1137 CA THR A 74 -12.019 5.338 5.999 1.00 0.00 C ATOM 1138 C THR A 74 -12.738 6.279 5.040 1.00 0.00 C ATOM 1139 O THR A 74 -12.172 6.723 4.036 1.00 0.00 O ATOM 1140 CB THR A 74 -10.822 6.057 6.663 1.00 0.00 C ATOM 1141 OG1 THR A 74 -9.798 6.325 5.699 1.00 0.00 O ATOM 1142 CG2 THR A 74 -10.247 5.216 7.793 1.00 0.00 C ATOM 0 H THR A 74 -10.773 4.235 4.728 1.00 0.00 H new ATOM 0 HA THR A 74 -12.704 5.043 6.794 1.00 0.00 H new ATOM 0 HB THR A 74 -11.184 7.000 7.072 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.210 6.574 4.845 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.406 5.741 8.246 1.00 0.00 H new ATOM 0 HG22 THR A 74 -11.016 5.044 8.546 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.907 4.259 7.397 1.00 0.00 H new ATOM 1150 N TYR A 75 -14.002 6.547 5.326 1.00 0.00 N ATOM 1151 CA TYR A 75 -14.799 7.435 4.495 1.00 0.00 C ATOM 1152 C TYR A 75 -14.558 8.875 4.917 1.00 0.00 C ATOM 1153 O TYR A 75 -14.965 9.278 6.010 1.00 0.00 O ATOM 1154 CB TYR A 75 -16.293 7.113 4.608 1.00 0.00 C ATOM 1155 CG TYR A 75 -16.646 5.645 4.481 1.00 0.00 C ATOM 1156 CD1 TYR A 75 -16.618 4.997 3.249 1.00 0.00 C ATOM 1157 CD2 TYR A 75 -17.029 4.913 5.597 1.00 0.00 C ATOM 1158 CE1 TYR A 75 -16.959 3.658 3.140 1.00 0.00 C ATOM 1159 CE2 TYR A 75 -17.375 3.581 5.495 1.00 0.00 C ATOM 1160 CZ TYR A 75 -17.340 2.958 4.267 1.00 0.00 C ATOM 1161 OH TYR A 75 -17.702 1.630 4.171 1.00 0.00 O ATOM 0 H TYR A 75 -14.499 6.161 6.129 1.00 0.00 H new ATOM 0 HA TYR A 75 -14.497 7.293 3.457 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -16.655 7.476 5.570 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -16.828 7.667 3.837 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -16.326 5.546 2.366 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -17.057 5.395 6.563 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -16.927 3.165 2.179 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -17.672 3.029 6.375 1.00 0.00 H new ATOM 0 HH TYR A 75 -17.941 1.291 5.059 1.00 0.00 H new ATOM 1171 N THR A 76 -13.884 9.645 4.081 1.00 0.00 N ATOM 1172 CA THR A 76 -13.594 11.024 4.410 1.00 0.00 C ATOM 1173 C THR A 76 -14.792 11.899 4.085 1.00 0.00 C ATOM 1174 O THR A 76 -15.440 12.442 4.980 1.00 0.00 O ATOM 1175 CB THR A 76 -12.359 11.530 3.646 1.00 0.00 C ATOM 1176 OG1 THR A 76 -11.350 10.514 3.632 1.00 0.00 O ATOM 1177 CG2 THR A 76 -11.803 12.790 4.291 1.00 0.00 C ATOM 0 H THR A 76 -13.530 9.338 3.175 1.00 0.00 H new ATOM 0 HA THR A 76 -13.382 11.078 5.478 1.00 0.00 H new ATOM 0 HB THR A 76 -12.658 11.765 2.625 1.00 0.00 H new ATOM 0 HG1 THR A 76 -10.709 10.699 2.914 1.00 0.00 H new ATOM 0 HG21 THR A 76 -10.930 13.129 3.733 1.00 0.00 H new ATOM 0 HG22 THR A 76 -12.565 13.570 4.282 1.00 0.00 H new ATOM 0 HG23 THR A 76 -11.515 12.575 5.320 1.00 0.00 H new ATOM 1185 N ASP A 77 -15.082 11.991 2.795 1.00 0.00 N ATOM 1186 CA ASP A 77 -16.213 12.765 2.280 1.00 0.00 C ATOM 1187 C ASP A 77 -16.172 12.801 0.763 1.00 0.00 C ATOM 1188 O ASP A 77 -17.108 12.372 0.092 1.00 0.00 O ATOM 1189 CB ASP A 77 -16.212 14.204 2.806 1.00 0.00 C ATOM 1190 CG ASP A 77 -17.238 15.067 2.098 1.00 0.00 C ATOM 1191 OD1 ASP A 77 -18.448 14.920 2.374 1.00 0.00 O ATOM 1192 OD2 ASP A 77 -16.839 15.883 1.241 1.00 0.00 O ATOM 0 H ASP A 77 -14.537 11.529 2.067 1.00 0.00 H new ATOM 0 HA ASP A 77 -17.122 12.272 2.626 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -16.419 14.199 3.876 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -15.221 14.638 2.675 1.00 0.00 H new ATOM 1197 N THR A 78 -15.071 13.318 0.233 1.00 0.00 N ATOM 1198 CA THR A 78 -14.909 13.468 -1.204 1.00 0.00 C ATOM 1199 C THR A 78 -14.184 12.257 -1.786 1.00 0.00 C ATOM 1200 O THR A 78 -14.199 12.017 -2.996 1.00 0.00 O ATOM 1201 CB THR A 78 -14.126 14.757 -1.525 1.00 0.00 C ATOM 1202 OG1 THR A 78 -14.652 15.848 -0.750 1.00 0.00 O ATOM 1203 CG2 THR A 78 -14.212 15.106 -3.004 1.00 0.00 C ATOM 0 H THR A 78 -14.274 13.641 0.782 1.00 0.00 H new ATOM 0 HA THR A 78 -15.898 13.537 -1.657 1.00 0.00 H new ATOM 0 HB THR A 78 -13.080 14.586 -1.272 1.00 0.00 H new ATOM 0 HG1 THR A 78 -15.468 15.559 -0.291 1.00 0.00 H new ATOM 0 HG21 THR A 78 -13.649 16.020 -3.196 1.00 0.00 H new ATOM 0 HG22 THR A 78 -13.793 14.291 -3.595 1.00 0.00 H new ATOM 0 HG23 THR A 78 -15.255 15.257 -3.282 1.00 0.00 H new ATOM 1211 N TYR A 79 -13.555 11.485 -0.911 1.00 0.00 N ATOM 1212 CA TYR A 79 -12.842 10.294 -1.327 1.00 0.00 C ATOM 1213 C TYR A 79 -12.856 9.259 -0.216 1.00 0.00 C ATOM 1214 O TYR A 79 -13.276 9.546 0.910 1.00 0.00 O ATOM 1215 CB TYR A 79 -11.397 10.634 -1.716 1.00 0.00 C ATOM 1216 CG TYR A 79 -10.529 11.117 -0.569 1.00 0.00 C ATOM 1217 CD1 TYR A 79 -9.848 10.213 0.238 1.00 0.00 C ATOM 1218 CD2 TYR A 79 -10.378 12.472 -0.306 1.00 0.00 C ATOM 1219 CE1 TYR A 79 -9.044 10.646 1.275 1.00 0.00 C ATOM 1220 CE2 TYR A 79 -9.571 12.912 0.726 1.00 0.00 C ATOM 1221 CZ TYR A 79 -8.909 11.994 1.515 1.00 0.00 C ATOM 1222 OH TYR A 79 -8.096 12.425 2.537 1.00 0.00 O ATOM 0 H TYR A 79 -13.526 11.666 0.092 1.00 0.00 H new ATOM 0 HA TYR A 79 -13.345 9.881 -2.201 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.936 9.750 -2.156 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -11.414 11.402 -2.489 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -9.949 9.154 0.051 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -10.899 13.193 -0.918 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -8.524 9.930 1.894 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -9.459 13.970 0.914 1.00 0.00 H new ATOM 0 HH TYR A 79 -8.108 13.404 2.574 1.00 0.00 H new ATOM 1232 N ALA A 80 -12.401 8.060 -0.540 1.00 0.00 N ATOM 1233 CA ALA A 80 -12.268 7.003 0.442 1.00 0.00 C ATOM 1234 C ALA A 80 -10.809 6.593 0.557 1.00 0.00 C ATOM 1235 O ALA A 80 -10.140 6.372 -0.455 1.00 0.00 O ATOM 1236 CB ALA A 80 -13.133 5.810 0.067 1.00 0.00 C ATOM 0 H ALA A 80 -12.116 7.796 -1.483 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.609 7.373 1.409 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -13.019 5.028 0.817 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -14.177 6.118 0.020 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -12.824 5.428 -0.906 1.00 0.00 H new ATOM 1242 N GLN A 81 -10.311 6.526 1.779 1.00 0.00 N ATOM 1243 CA GLN A 81 -8.938 6.118 2.014 1.00 0.00 C ATOM 1244 C GLN A 81 -8.909 4.662 2.457 1.00 0.00 C ATOM 1245 O GLN A 81 -9.342 4.327 3.565 1.00 0.00 O ATOM 1246 CB GLN A 81 -8.288 7.013 3.075 1.00 0.00 C ATOM 1247 CG GLN A 81 -6.959 7.637 2.655 1.00 0.00 C ATOM 1248 CD GLN A 81 -5.818 6.638 2.535 1.00 0.00 C ATOM 1249 OE1 GLN A 81 -6.013 5.477 2.197 1.00 0.00 O ATOM 1250 NE2 GLN A 81 -4.608 7.090 2.834 1.00 0.00 N ATOM 0 H GLN A 81 -10.837 6.749 2.624 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.371 6.221 1.089 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.984 7.812 3.333 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -8.128 6.425 3.979 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -7.092 8.139 1.696 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -6.683 8.403 3.380 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.481 8.063 3.112 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.804 6.465 2.786 1.00 0.00 H new ATOM 1259 N GLU A 82 -8.437 3.803 1.574 1.00 0.00 N ATOM 1260 CA GLU A 82 -8.322 2.390 1.867 1.00 0.00 C ATOM 1261 C GLU A 82 -6.937 2.105 2.438 1.00 0.00 C ATOM 1262 O GLU A 82 -5.995 1.800 1.703 1.00 0.00 O ATOM 1263 CB GLU A 82 -8.567 1.563 0.599 1.00 0.00 C ATOM 1264 CG GLU A 82 -8.585 0.060 0.829 1.00 0.00 C ATOM 1265 CD GLU A 82 -8.633 -0.728 -0.466 1.00 0.00 C ATOM 1266 OE1 GLU A 82 -7.595 -0.801 -1.163 1.00 0.00 O ATOM 1267 OE2 GLU A 82 -9.701 -1.293 -0.786 1.00 0.00 O ATOM 0 H GLU A 82 -8.124 4.064 0.639 1.00 0.00 H new ATOM 0 HA GLU A 82 -9.075 2.109 2.604 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.519 1.864 0.161 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -7.792 1.798 -0.130 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -7.698 -0.228 1.393 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.449 -0.200 1.440 1.00 0.00 H new ATOM 1274 N ASN A 83 -6.806 2.256 3.747 1.00 0.00 N ATOM 1275 CA ASN A 83 -5.537 2.017 4.416 1.00 0.00 C ATOM 1276 C ASN A 83 -5.349 0.524 4.631 1.00 0.00 C ATOM 1277 O ASN A 83 -5.858 -0.041 5.599 1.00 0.00 O ATOM 1278 CB ASN A 83 -5.479 2.745 5.768 1.00 0.00 C ATOM 1279 CG ASN A 83 -5.718 4.241 5.651 1.00 0.00 C ATOM 1280 OD1 ASN A 83 -4.650 5.010 5.491 1.00 0.00 O flip ATOM 1281 ND2 ASN A 83 -6.856 4.705 5.726 1.00 0.00 N flip ATOM 0 H ASN A 83 -7.563 2.543 4.367 1.00 0.00 H new ATOM 0 HA ASN A 83 -4.737 2.404 3.785 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -6.224 2.315 6.437 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.504 2.574 6.225 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.654 4.082 5.849 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.001 5.713 5.665 1.00 0.00 H new ATOM 1288 N VAL A 84 -4.640 -0.121 3.720 1.00 0.00 N ATOM 1289 CA VAL A 84 -4.480 -1.571 3.784 1.00 0.00 C ATOM 1290 C VAL A 84 -3.151 -1.945 4.416 1.00 0.00 C ATOM 1291 O VAL A 84 -2.103 -1.801 3.806 1.00 0.00 O ATOM 1292 CB VAL A 84 -4.572 -2.230 2.393 1.00 0.00 C ATOM 1293 CG1 VAL A 84 -4.482 -3.741 2.513 1.00 0.00 C ATOM 1294 CG2 VAL A 84 -5.855 -1.828 1.690 1.00 0.00 C ATOM 0 H VAL A 84 -4.169 0.327 2.934 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.300 -1.942 4.399 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.731 -1.880 1.794 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.549 -4.189 1.522 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.531 -4.014 2.971 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.301 -4.106 3.132 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -5.898 -2.305 0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -6.711 -2.145 2.286 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.879 -0.745 1.568 1.00 0.00 H new ATOM 1304 N THR A 85 -3.193 -2.455 5.627 1.00 0.00 N ATOM 1305 CA THR A 85 -1.975 -2.788 6.328 1.00 0.00 C ATOM 1306 C THR A 85 -1.612 -4.240 6.059 1.00 0.00 C ATOM 1307 O THR A 85 -2.166 -5.146 6.664 1.00 0.00 O ATOM 1308 CB THR A 85 -2.119 -2.548 7.839 1.00 0.00 C ATOM 1309 OG1 THR A 85 -2.715 -1.260 8.059 1.00 0.00 O ATOM 1310 CG2 THR A 85 -0.764 -2.606 8.525 1.00 0.00 C ATOM 0 H THR A 85 -4.052 -2.647 6.143 1.00 0.00 H new ATOM 0 HA THR A 85 -1.179 -2.140 5.962 1.00 0.00 H new ATOM 0 HB THR A 85 -2.753 -3.329 8.260 1.00 0.00 H new ATOM 0 HG1 THR A 85 -2.810 -1.104 9.022 1.00 0.00 H new ATOM 0 HG21 THR A 85 -0.890 -2.433 9.594 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.317 -3.587 8.366 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.112 -1.839 8.108 1.00 0.00 H new ATOM 1318 N ILE A 86 -0.701 -4.446 5.124 1.00 0.00 N ATOM 1319 CA ILE A 86 -0.311 -5.783 4.718 1.00 0.00 C ATOM 1320 C ILE A 86 0.905 -6.246 5.506 1.00 0.00 C ATOM 1321 O ILE A 86 1.991 -5.698 5.375 1.00 0.00 O ATOM 1322 CB ILE A 86 -0.001 -5.842 3.206 1.00 0.00 C ATOM 1323 CG1 ILE A 86 -1.203 -5.329 2.403 1.00 0.00 C ATOM 1324 CG2 ILE A 86 0.354 -7.267 2.789 1.00 0.00 C ATOM 1325 CD1 ILE A 86 -0.962 -5.272 0.908 1.00 0.00 C ATOM 0 H ILE A 86 -0.215 -3.698 4.629 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.150 -6.447 4.926 1.00 0.00 H new ATOM 0 HB ILE A 86 0.857 -5.202 2.998 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.060 -5.973 2.599 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.466 -4.332 2.757 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.570 -7.291 1.721 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.231 -7.601 3.344 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.485 -7.929 3.005 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.857 -4.900 0.409 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.126 -4.604 0.699 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.730 -6.271 0.539 1.00 0.00 H new ATOM 1337 N ASP A 87 0.702 -7.242 6.344 1.00 0.00 N ATOM 1338 CA ASP A 87 1.778 -7.805 7.151 1.00 0.00 C ATOM 1339 C ASP A 87 2.784 -8.538 6.264 1.00 0.00 C ATOM 1340 O ASP A 87 2.492 -8.829 5.109 1.00 0.00 O ATOM 1341 CB ASP A 87 1.185 -8.760 8.185 1.00 0.00 C ATOM 1342 CG ASP A 87 2.172 -9.151 9.256 1.00 0.00 C ATOM 1343 OD1 ASP A 87 2.440 -8.326 10.149 1.00 0.00 O ATOM 1344 OD2 ASP A 87 2.673 -10.287 9.213 1.00 0.00 O ATOM 0 H ASP A 87 -0.205 -7.685 6.488 1.00 0.00 H new ATOM 0 HA ASP A 87 2.303 -6.999 7.663 1.00 0.00 H new ATOM 0 HB2 ASP A 87 0.318 -8.291 8.650 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.829 -9.658 7.681 1.00 0.00 H new ATOM 1349 N MET A 88 3.980 -8.802 6.777 1.00 0.00 N ATOM 1350 CA MET A 88 4.958 -9.591 6.033 1.00 0.00 C ATOM 1351 C MET A 88 5.648 -10.608 6.929 1.00 0.00 C ATOM 1352 O MET A 88 6.703 -11.140 6.589 1.00 0.00 O ATOM 1353 CB MET A 88 6.000 -8.699 5.361 1.00 0.00 C ATOM 1354 CG MET A 88 5.467 -7.951 4.156 1.00 0.00 C ATOM 1355 SD MET A 88 6.772 -7.198 3.175 1.00 0.00 S ATOM 1356 CE MET A 88 5.818 -6.645 1.773 1.00 0.00 C ATOM 0 H MET A 88 4.295 -8.486 7.694 1.00 0.00 H new ATOM 0 HA MET A 88 4.410 -10.127 5.258 1.00 0.00 H new ATOM 0 HB2 MET A 88 6.375 -7.980 6.089 1.00 0.00 H new ATOM 0 HB3 MET A 88 6.847 -9.312 5.053 1.00 0.00 H new ATOM 0 HG2 MET A 88 4.897 -8.638 3.530 1.00 0.00 H new ATOM 0 HG3 MET A 88 4.776 -7.177 4.490 1.00 0.00 H new ATOM 0 HE1 MET A 88 6.110 -7.211 0.888 1.00 0.00 H new ATOM 0 HE2 MET A 88 4.757 -6.801 1.970 1.00 0.00 H new ATOM 0 HE3 MET A 88 6.003 -5.584 1.603 1.00 0.00 H new ATOM 1366 N GLU A 89 5.032 -10.894 8.064 1.00 0.00 N ATOM 1367 CA GLU A 89 5.583 -11.856 9.004 1.00 0.00 C ATOM 1368 C GLU A 89 4.662 -13.067 9.136 1.00 0.00 C ATOM 1369 O GLU A 89 5.116 -14.209 9.203 1.00 0.00 O ATOM 1370 CB GLU A 89 5.764 -11.199 10.371 1.00 0.00 C ATOM 1371 CG GLU A 89 6.598 -9.928 10.345 1.00 0.00 C ATOM 1372 CD GLU A 89 6.767 -9.329 11.724 1.00 0.00 C ATOM 1373 OE1 GLU A 89 7.422 -9.966 12.573 1.00 0.00 O ATOM 1374 OE2 GLU A 89 6.241 -8.223 11.971 1.00 0.00 O ATOM 0 H GLU A 89 4.150 -10.474 8.357 1.00 0.00 H new ATOM 0 HA GLU A 89 6.550 -12.191 8.629 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.782 -10.968 10.784 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.233 -11.914 11.046 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.579 -10.147 9.923 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.125 -9.198 9.689 1.00 0.00 H new ATOM 1381 N LYS A 90 3.367 -12.801 9.170 1.00 0.00 N ATOM 1382 CA LYS A 90 2.363 -13.832 9.398 1.00 0.00 C ATOM 1383 C LYS A 90 1.483 -14.023 8.154 1.00 0.00 C ATOM 1384 O LYS A 90 0.466 -14.715 8.193 1.00 0.00 O ATOM 1385 CB LYS A 90 1.516 -13.424 10.616 1.00 0.00 C ATOM 1386 CG LYS A 90 0.518 -14.471 11.092 1.00 0.00 C ATOM 1387 CD LYS A 90 -0.187 -14.019 12.362 1.00 0.00 C ATOM 1388 CE LYS A 90 -1.325 -14.954 12.744 1.00 0.00 C ATOM 1389 NZ LYS A 90 -2.478 -14.836 11.813 1.00 0.00 N ATOM 0 H LYS A 90 2.980 -11.866 9.041 1.00 0.00 H new ATOM 0 HA LYS A 90 2.852 -14.786 9.595 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.187 -13.183 11.441 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.972 -12.512 10.371 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.218 -14.658 10.310 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.034 -15.413 11.275 1.00 0.00 H new ATOM 0 HD2 LYS A 90 0.533 -13.971 13.179 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.577 -13.011 12.221 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.964 -15.983 12.746 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.654 -14.730 13.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.296 -15.343 12.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.721 -13.833 11.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.225 -15.250 10.893 1.00 0.00 H new ATOM 1403 N VAL A 91 1.889 -13.419 7.045 1.00 0.00 N ATOM 1404 CA VAL A 91 1.099 -13.464 5.813 1.00 0.00 C ATOM 1405 C VAL A 91 1.246 -14.763 5.051 1.00 0.00 C ATOM 1406 O VAL A 91 1.984 -15.670 5.440 1.00 0.00 O ATOM 1407 CB VAL A 91 1.464 -12.340 4.829 1.00 0.00 C ATOM 1408 CG1 VAL A 91 0.683 -11.080 5.122 1.00 0.00 C ATOM 1409 CG2 VAL A 91 2.962 -12.075 4.843 1.00 0.00 C ATOM 0 H VAL A 91 2.759 -12.892 6.969 1.00 0.00 H new ATOM 0 HA VAL A 91 0.074 -13.350 6.167 1.00 0.00 H new ATOM 0 HB VAL A 91 1.190 -12.669 3.827 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.963 -10.304 4.410 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.384 -11.285 5.034 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.906 -10.741 6.134 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.197 -11.276 4.139 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.270 -11.778 5.846 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.495 -12.981 4.554 1.00 0.00 H new ATOM 1419 N ASP A 92 0.526 -14.816 3.945 1.00 0.00 N ATOM 1420 CA ASP A 92 0.668 -15.882 2.971 1.00 0.00 C ATOM 1421 C ASP A 92 0.689 -15.269 1.584 1.00 0.00 C ATOM 1422 O ASP A 92 -0.345 -14.836 1.071 1.00 0.00 O ATOM 1423 CB ASP A 92 -0.469 -16.897 3.081 1.00 0.00 C ATOM 1424 CG ASP A 92 -0.308 -18.036 2.096 1.00 0.00 C ATOM 1425 OD1 ASP A 92 0.444 -18.987 2.401 1.00 0.00 O ATOM 1426 OD2 ASP A 92 -0.927 -17.987 1.013 1.00 0.00 O ATOM 0 H ASP A 92 -0.176 -14.119 3.697 1.00 0.00 H new ATOM 0 HA ASP A 92 1.599 -16.416 3.164 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.502 -17.296 4.095 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -1.421 -16.396 2.904 1.00 0.00 H new ATOM 1431 N PHE A 93 1.870 -15.208 0.987 1.00 0.00 N ATOM 1432 CA PHE A 93 2.040 -14.520 -0.286 1.00 0.00 C ATOM 1433 C PHE A 93 1.258 -15.206 -1.403 1.00 0.00 C ATOM 1434 O PHE A 93 0.888 -14.573 -2.389 1.00 0.00 O ATOM 1435 CB PHE A 93 3.513 -14.454 -0.679 1.00 0.00 C ATOM 1436 CG PHE A 93 4.358 -13.603 0.220 1.00 0.00 C ATOM 1437 CD1 PHE A 93 4.075 -12.259 0.390 1.00 0.00 C ATOM 1438 CD2 PHE A 93 5.446 -14.147 0.880 1.00 0.00 C ATOM 1439 CE1 PHE A 93 4.861 -11.471 1.207 1.00 0.00 C ATOM 1440 CE2 PHE A 93 6.237 -13.365 1.700 1.00 0.00 C ATOM 1441 CZ PHE A 93 5.944 -12.023 1.863 1.00 0.00 C ATOM 0 H PHE A 93 2.723 -15.625 1.361 1.00 0.00 H new ATOM 0 HA PHE A 93 1.653 -13.510 -0.153 1.00 0.00 H new ATOM 0 HB2 PHE A 93 3.919 -15.465 -0.688 1.00 0.00 H new ATOM 0 HB3 PHE A 93 3.588 -14.071 -1.697 1.00 0.00 H new ATOM 0 HD1 PHE A 93 3.230 -11.822 -0.122 1.00 0.00 H new ATOM 0 HD2 PHE A 93 5.679 -15.194 0.753 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.629 -10.424 1.333 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.082 -13.801 2.212 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.561 -11.408 2.502 1.00 0.00 H new ATOM 1451 N LYS A 94 1.017 -16.501 -1.242 1.00 0.00 N ATOM 1452 CA LYS A 94 0.312 -17.284 -2.250 1.00 0.00 C ATOM 1453 C LYS A 94 -1.090 -16.728 -2.454 1.00 0.00 C ATOM 1454 O LYS A 94 -1.496 -16.418 -3.577 1.00 0.00 O ATOM 1455 CB LYS A 94 0.219 -18.750 -1.821 1.00 0.00 C ATOM 1456 CG LYS A 94 1.487 -19.280 -1.174 1.00 0.00 C ATOM 1457 CD LYS A 94 1.342 -20.739 -0.776 1.00 0.00 C ATOM 1458 CE LYS A 94 2.497 -21.187 0.099 1.00 0.00 C ATOM 1459 NZ LYS A 94 2.430 -20.581 1.456 1.00 0.00 N ATOM 0 H LYS A 94 1.301 -17.033 -0.420 1.00 0.00 H new ATOM 0 HA LYS A 94 0.869 -17.222 -3.185 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.609 -18.863 -1.121 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.015 -19.360 -2.693 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.322 -19.172 -1.866 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.724 -18.683 -0.293 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.402 -20.881 -0.243 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.298 -21.360 -1.671 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.487 -22.274 0.185 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.440 -20.913 -0.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.253 -19.962 1.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.557 -20.022 1.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.432 -21.334 2.173 1.00 0.00 H new ATOM 1473 N ALA A 95 -1.816 -16.590 -1.353 1.00 0.00 N ATOM 1474 CA ALA A 95 -3.173 -16.074 -1.387 1.00 0.00 C ATOM 1475 C ALA A 95 -3.189 -14.579 -1.685 1.00 0.00 C ATOM 1476 O ALA A 95 -4.155 -14.062 -2.243 1.00 0.00 O ATOM 1477 CB ALA A 95 -3.873 -16.357 -0.066 1.00 0.00 C ATOM 0 H ALA A 95 -1.482 -16.831 -0.420 1.00 0.00 H new ATOM 0 HA ALA A 95 -3.708 -16.581 -2.190 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.890 -15.966 -0.102 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.904 -17.433 0.106 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.328 -15.875 0.745 1.00 0.00 H new ATOM 1483 N LEU A 96 -2.113 -13.891 -1.324 1.00 0.00 N ATOM 1484 CA LEU A 96 -2.035 -12.444 -1.499 1.00 0.00 C ATOM 1485 C LEU A 96 -1.612 -12.061 -2.913 1.00 0.00 C ATOM 1486 O LEU A 96 -1.721 -10.896 -3.301 1.00 0.00 O ATOM 1487 CB LEU A 96 -1.058 -11.834 -0.494 1.00 0.00 C ATOM 1488 CG LEU A 96 -1.511 -11.870 0.965 1.00 0.00 C ATOM 1489 CD1 LEU A 96 -0.453 -11.245 1.856 1.00 0.00 C ATOM 1490 CD2 LEU A 96 -2.841 -11.149 1.129 1.00 0.00 C ATOM 0 H LEU A 96 -1.282 -14.311 -0.908 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.036 -12.049 -1.325 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.106 -12.359 -0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.875 -10.797 -0.774 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.648 -12.910 1.262 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.786 -11.276 2.893 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.480 -11.800 1.758 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.292 -10.209 1.558 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.148 -11.185 2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.732 -10.110 0.818 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.597 -11.635 0.512 1.00 0.00 H new ATOM 1502 N GLN A 97 -1.139 -13.041 -3.676 1.00 0.00 N ATOM 1503 CA GLN A 97 -0.660 -12.810 -5.041 1.00 0.00 C ATOM 1504 C GLN A 97 -1.692 -12.054 -5.877 1.00 0.00 C ATOM 1505 O GLN A 97 -1.357 -11.113 -6.597 1.00 0.00 O ATOM 1506 CB GLN A 97 -0.333 -14.145 -5.710 1.00 0.00 C ATOM 1507 CG GLN A 97 0.182 -14.013 -7.134 1.00 0.00 C ATOM 1508 CD GLN A 97 0.388 -15.357 -7.799 1.00 0.00 C ATOM 1509 OE1 GLN A 97 0.687 -16.350 -7.139 1.00 0.00 O ATOM 1510 NE2 GLN A 97 0.230 -15.399 -9.113 1.00 0.00 N ATOM 0 H GLN A 97 -1.076 -14.012 -3.372 1.00 0.00 H new ATOM 0 HA GLN A 97 0.240 -12.198 -4.981 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.414 -14.666 -5.111 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -1.228 -14.766 -5.715 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -0.524 -13.425 -7.720 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.124 -13.465 -7.128 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -0.018 -14.552 -9.624 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.357 -16.278 -9.614 1.00 0.00 H new ATOM 1519 N GLY A 98 -2.949 -12.459 -5.764 1.00 0.00 N ATOM 1520 CA GLY A 98 -4.005 -11.806 -6.508 1.00 0.00 C ATOM 1521 C GLY A 98 -4.833 -10.884 -5.639 1.00 0.00 C ATOM 1522 O GLY A 98 -5.924 -10.469 -6.026 1.00 0.00 O ATOM 0 H GLY A 98 -3.256 -13.229 -5.170 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.569 -11.235 -7.328 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.653 -12.561 -6.954 1.00 0.00 H new ATOM 1526 N ILE A 99 -4.307 -10.547 -4.471 1.00 0.00 N ATOM 1527 CA ILE A 99 -5.036 -9.722 -3.520 1.00 0.00 C ATOM 1528 C ILE A 99 -4.336 -8.392 -3.289 1.00 0.00 C ATOM 1529 O ILE A 99 -4.923 -7.330 -3.490 1.00 0.00 O ATOM 1530 CB ILE A 99 -5.216 -10.448 -2.166 1.00 0.00 C ATOM 1531 CG1 ILE A 99 -6.022 -11.737 -2.348 1.00 0.00 C ATOM 1532 CG2 ILE A 99 -5.894 -9.541 -1.150 1.00 0.00 C ATOM 1533 CD1 ILE A 99 -7.418 -11.518 -2.888 1.00 0.00 C ATOM 0 H ILE A 99 -3.379 -10.832 -4.159 1.00 0.00 H new ATOM 0 HA ILE A 99 -6.018 -9.534 -3.954 1.00 0.00 H new ATOM 0 HB ILE A 99 -4.227 -10.707 -1.789 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -5.481 -12.399 -3.024 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -6.091 -12.249 -1.388 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -6.009 -10.074 -0.206 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -5.284 -8.652 -0.992 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.875 -9.247 -1.523 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.924 -12.478 -2.988 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -7.978 -10.883 -2.202 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -7.359 -11.035 -3.863 1.00 0.00 H new ATOM 1545 N SER A 100 -3.073 -8.471 -2.909 1.00 0.00 N ATOM 1546 CA SER A 100 -2.303 -7.307 -2.468 1.00 0.00 C ATOM 1547 C SER A 100 -2.084 -6.285 -3.582 1.00 0.00 C ATOM 1548 O SER A 100 -1.703 -5.145 -3.317 1.00 0.00 O ATOM 1549 CB SER A 100 -0.957 -7.765 -1.907 1.00 0.00 C ATOM 1550 OG SER A 100 -1.142 -8.698 -0.857 1.00 0.00 O ATOM 0 H SER A 100 -2.545 -9.344 -2.895 1.00 0.00 H new ATOM 0 HA SER A 100 -2.885 -6.809 -1.692 1.00 0.00 H new ATOM 0 HB2 SER A 100 -0.362 -8.217 -2.701 1.00 0.00 H new ATOM 0 HB3 SER A 100 -0.398 -6.904 -1.540 1.00 0.00 H new ATOM 0 HG SER A 100 -0.293 -8.835 -0.388 1.00 0.00 H new ATOM 1556 N GLY A 101 -2.296 -6.693 -4.823 1.00 0.00 N ATOM 1557 CA GLY A 101 -2.159 -5.770 -5.932 1.00 0.00 C ATOM 1558 C GLY A 101 -0.729 -5.642 -6.413 1.00 0.00 C ATOM 1559 O GLY A 101 -0.478 -5.092 -7.486 1.00 0.00 O ATOM 0 H GLY A 101 -2.560 -7.643 -5.083 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -2.787 -6.105 -6.758 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -2.526 -4.789 -5.630 1.00 0.00 H new ATOM 1563 N ILE A 102 0.213 -6.144 -5.622 1.00 0.00 N ATOM 1564 CA ILE A 102 1.612 -6.144 -6.020 1.00 0.00 C ATOM 1565 C ILE A 102 1.820 -7.149 -7.139 1.00 0.00 C ATOM 1566 O ILE A 102 2.029 -8.333 -6.894 1.00 0.00 O ATOM 1567 CB ILE A 102 2.561 -6.481 -4.849 1.00 0.00 C ATOM 1568 CG1 ILE A 102 2.311 -5.540 -3.670 1.00 0.00 C ATOM 1569 CG2 ILE A 102 4.017 -6.390 -5.301 1.00 0.00 C ATOM 1570 CD1 ILE A 102 3.169 -5.846 -2.461 1.00 0.00 C ATOM 0 H ILE A 102 0.032 -6.554 -4.706 1.00 0.00 H new ATOM 0 HA ILE A 102 1.853 -5.136 -6.358 1.00 0.00 H new ATOM 0 HB ILE A 102 2.360 -7.502 -4.525 1.00 0.00 H new ATOM 0 HG12 ILE A 102 2.498 -4.514 -3.988 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.261 -5.599 -3.385 1.00 0.00 H new ATOM 0 HG21 ILE A 102 4.673 -6.630 -4.465 1.00 0.00 H new ATOM 0 HG22 ILE A 102 4.191 -7.096 -6.113 1.00 0.00 H new ATOM 0 HG23 ILE A 102 4.228 -5.379 -5.649 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.939 -5.140 -1.663 1.00 0.00 H new ATOM 0 HD12 ILE A 102 2.965 -6.860 -2.118 1.00 0.00 H new ATOM 0 HD13 ILE A 102 4.222 -5.759 -2.730 1.00 0.00 H new ATOM 1582 N ASN A 103 1.682 -6.675 -8.361 1.00 0.00 N ATOM 1583 CA ASN A 103 1.854 -7.505 -9.540 1.00 0.00 C ATOM 1584 C ASN A 103 2.870 -6.863 -10.469 1.00 0.00 C ATOM 1585 O ASN A 103 2.628 -6.696 -11.667 1.00 0.00 O ATOM 1586 CB ASN A 103 0.512 -7.702 -10.260 1.00 0.00 C ATOM 1587 CG ASN A 103 -0.330 -8.839 -9.688 1.00 0.00 C ATOM 1588 OD1 ASN A 103 -0.076 -9.225 -8.446 1.00 0.00 O flip ATOM 1589 ND2 ASN A 103 -1.191 -9.389 -10.376 1.00 0.00 N flip ATOM 0 H ASN A 103 1.447 -5.704 -8.566 1.00 0.00 H new ATOM 0 HA ASN A 103 2.220 -8.486 -9.236 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -0.059 -6.775 -10.205 1.00 0.00 H new ATOM 0 HB3 ASN A 103 0.701 -7.897 -11.316 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -1.363 -9.069 -11.329 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -1.732 -10.164 -9.993 1.00 0.00 H new ATOM 1596 N VAL A 104 4.009 -6.491 -9.899 1.00 0.00 N ATOM 1597 CA VAL A 104 5.096 -5.900 -10.668 1.00 0.00 C ATOM 1598 C VAL A 104 5.859 -7.011 -11.376 1.00 0.00 C ATOM 1599 O VAL A 104 6.649 -6.777 -12.290 1.00 0.00 O ATOM 1600 CB VAL A 104 6.056 -5.075 -9.775 1.00 0.00 C ATOM 1601 CG1 VAL A 104 5.299 -3.966 -9.060 1.00 0.00 C ATOM 1602 CG2 VAL A 104 6.775 -5.966 -8.769 1.00 0.00 C ATOM 0 H VAL A 104 4.204 -6.589 -8.903 1.00 0.00 H new ATOM 0 HA VAL A 104 4.668 -5.212 -11.397 1.00 0.00 H new ATOM 0 HB VAL A 104 6.809 -4.622 -10.420 1.00 0.00 H new ATOM 0 HG11 VAL A 104 5.989 -3.397 -8.437 1.00 0.00 H new ATOM 0 HG12 VAL A 104 4.844 -3.303 -9.796 1.00 0.00 H new ATOM 0 HG13 VAL A 104 4.521 -4.402 -8.434 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.442 -5.359 -8.157 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.042 -6.458 -8.129 1.00 0.00 H new ATOM 0 HG23 VAL A 104 7.356 -6.719 -9.301 1.00 0.00 H new ATOM 1612 N SER A 105 5.603 -8.224 -10.917 1.00 0.00 N ATOM 1613 CA SER A 105 6.102 -9.430 -11.532 1.00 0.00 C ATOM 1614 C SER A 105 5.195 -10.578 -11.107 1.00 0.00 C ATOM 1615 O SER A 105 4.179 -10.352 -10.453 1.00 0.00 O ATOM 1616 CB SER A 105 7.550 -9.687 -11.095 1.00 0.00 C ATOM 1617 OG SER A 105 8.119 -10.784 -11.794 1.00 0.00 O ATOM 0 H SER A 105 5.031 -8.395 -10.090 1.00 0.00 H new ATOM 0 HA SER A 105 6.099 -9.337 -12.618 1.00 0.00 H new ATOM 0 HB2 SER A 105 8.148 -8.793 -11.271 1.00 0.00 H new ATOM 0 HB3 SER A 105 7.578 -9.884 -10.023 1.00 0.00 H new ATOM 0 HG SER A 105 9.080 -10.633 -11.913 1.00 0.00 H new ATOM 1623 N ALA A 106 5.523 -11.792 -11.507 1.00 0.00 N ATOM 1624 CA ALA A 106 4.827 -12.958 -10.993 1.00 0.00 C ATOM 1625 C ALA A 106 5.598 -13.549 -9.824 1.00 0.00 C ATOM 1626 O ALA A 106 5.039 -14.241 -8.975 1.00 0.00 O ATOM 1627 CB ALA A 106 4.632 -14.000 -12.079 1.00 0.00 C ATOM 0 H ALA A 106 6.261 -11.997 -12.181 1.00 0.00 H new ATOM 0 HA ALA A 106 3.842 -12.645 -10.648 1.00 0.00 H new ATOM 0 HB1 ALA A 106 4.108 -14.862 -11.666 1.00 0.00 H new ATOM 0 HB2 ALA A 106 4.044 -13.573 -12.891 1.00 0.00 H new ATOM 0 HB3 ALA A 106 5.604 -14.314 -12.461 1.00 0.00 H new ATOM 1633 N GLU A 107 6.890 -13.248 -9.783 1.00 0.00 N ATOM 1634 CA GLU A 107 7.786 -13.829 -8.794 1.00 0.00 C ATOM 1635 C GLU A 107 7.839 -12.985 -7.523 1.00 0.00 C ATOM 1636 O GLU A 107 8.324 -13.447 -6.497 1.00 0.00 O ATOM 1637 CB GLU A 107 9.193 -13.967 -9.381 1.00 0.00 C ATOM 1638 CG GLU A 107 9.843 -12.635 -9.726 1.00 0.00 C ATOM 1639 CD GLU A 107 11.198 -12.792 -10.380 1.00 0.00 C ATOM 1640 OE1 GLU A 107 12.163 -13.164 -9.680 1.00 0.00 O ATOM 1641 OE2 GLU A 107 11.305 -12.539 -11.599 1.00 0.00 O ATOM 0 H GLU A 107 7.342 -12.600 -10.428 1.00 0.00 H new ATOM 0 HA GLU A 107 7.400 -14.814 -8.531 1.00 0.00 H new ATOM 0 HB2 GLU A 107 9.825 -14.496 -8.668 1.00 0.00 H new ATOM 0 HB3 GLU A 107 9.144 -14.581 -10.280 1.00 0.00 H new ATOM 0 HG2 GLU A 107 9.186 -12.078 -10.394 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.950 -12.043 -8.817 1.00 0.00 H new ATOM 1648 N ASP A 108 7.322 -11.765 -7.593 1.00 0.00 N ATOM 1649 CA ASP A 108 7.401 -10.825 -6.478 1.00 0.00 C ATOM 1650 C ASP A 108 6.766 -11.400 -5.211 1.00 0.00 C ATOM 1651 O ASP A 108 7.403 -11.455 -4.159 1.00 0.00 O ATOM 1652 CB ASP A 108 6.764 -9.470 -6.854 1.00 0.00 C ATOM 1653 CG ASP A 108 5.420 -9.584 -7.565 1.00 0.00 C ATOM 1654 OD1 ASP A 108 4.820 -10.683 -7.568 1.00 0.00 O ATOM 1655 OD2 ASP A 108 4.977 -8.572 -8.152 1.00 0.00 O ATOM 0 H ASP A 108 6.840 -11.400 -8.415 1.00 0.00 H new ATOM 0 HA ASP A 108 8.456 -10.655 -6.264 1.00 0.00 H new ATOM 0 HB2 ASP A 108 6.633 -8.879 -5.947 1.00 0.00 H new ATOM 0 HB3 ASP A 108 7.455 -8.922 -7.494 1.00 0.00 H new ATOM 1660 N ALA A 109 5.527 -11.842 -5.317 1.00 0.00 N ATOM 1661 CA ALA A 109 4.844 -12.454 -4.189 1.00 0.00 C ATOM 1662 C ALA A 109 5.369 -13.862 -3.922 1.00 0.00 C ATOM 1663 O ALA A 109 5.657 -14.219 -2.780 1.00 0.00 O ATOM 1664 CB ALA A 109 3.343 -12.482 -4.430 1.00 0.00 C ATOM 0 H ALA A 109 4.972 -11.790 -6.171 1.00 0.00 H new ATOM 0 HA ALA A 109 5.046 -11.849 -3.305 1.00 0.00 H new ATOM 0 HB1 ALA A 109 2.846 -12.943 -3.577 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.976 -11.464 -4.557 1.00 0.00 H new ATOM 0 HB3 ALA A 109 3.130 -13.059 -5.330 1.00 0.00 H new ATOM 1670 N LYS A 110 5.522 -14.648 -4.984 1.00 0.00 N ATOM 1671 CA LYS A 110 5.895 -16.060 -4.857 1.00 0.00 C ATOM 1672 C LYS A 110 7.259 -16.239 -4.190 1.00 0.00 C ATOM 1673 O LYS A 110 7.448 -17.149 -3.381 1.00 0.00 O ATOM 1674 CB LYS A 110 5.922 -16.742 -6.232 1.00 0.00 C ATOM 1675 CG LYS A 110 4.601 -16.708 -6.982 1.00 0.00 C ATOM 1676 CD LYS A 110 4.671 -17.549 -8.248 1.00 0.00 C ATOM 1677 CE LYS A 110 3.332 -17.598 -8.969 1.00 0.00 C ATOM 1678 NZ LYS A 110 2.296 -18.322 -8.183 1.00 0.00 N ATOM 0 H LYS A 110 5.394 -14.333 -5.946 1.00 0.00 H new ATOM 0 HA LYS A 110 5.137 -16.525 -4.226 1.00 0.00 H new ATOM 0 HB2 LYS A 110 6.685 -16.263 -6.845 1.00 0.00 H new ATOM 0 HB3 LYS A 110 6.224 -17.781 -6.101 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.804 -17.079 -6.338 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.351 -15.679 -7.238 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.428 -17.138 -8.916 1.00 0.00 H new ATOM 0 HD3 LYS A 110 4.985 -18.562 -7.995 1.00 0.00 H new ATOM 0 HE2 LYS A 110 2.991 -16.582 -9.167 1.00 0.00 H new ATOM 0 HE3 LYS A 110 3.459 -18.086 -9.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 1.744 -18.935 -8.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 2.757 -18.903 -7.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 1.662 -17.635 -7.728 1.00 0.00 H new ATOM 1692 N LYS A 111 8.200 -15.375 -4.536 1.00 0.00 N ATOM 1693 CA LYS A 111 9.571 -15.500 -4.061 1.00 0.00 C ATOM 1694 C LYS A 111 9.725 -14.891 -2.671 1.00 0.00 C ATOM 1695 O LYS A 111 10.649 -15.228 -1.927 1.00 0.00 O ATOM 1696 CB LYS A 111 10.516 -14.812 -5.053 1.00 0.00 C ATOM 1697 CG LYS A 111 11.994 -15.050 -4.796 1.00 0.00 C ATOM 1698 CD LYS A 111 12.352 -16.521 -4.911 1.00 0.00 C ATOM 1699 CE LYS A 111 13.853 -16.717 -4.992 1.00 0.00 C ATOM 1700 NZ LYS A 111 14.406 -16.180 -6.260 1.00 0.00 N ATOM 0 H LYS A 111 8.039 -14.575 -5.148 1.00 0.00 H new ATOM 0 HA LYS A 111 9.825 -16.558 -3.991 1.00 0.00 H new ATOM 0 HB2 LYS A 111 10.277 -15.156 -6.059 1.00 0.00 H new ATOM 0 HB3 LYS A 111 10.326 -13.739 -5.030 1.00 0.00 H new ATOM 0 HG2 LYS A 111 12.585 -14.474 -5.508 1.00 0.00 H new ATOM 0 HG3 LYS A 111 12.254 -14.689 -3.801 1.00 0.00 H new ATOM 0 HD2 LYS A 111 11.958 -17.062 -4.050 1.00 0.00 H new ATOM 0 HD3 LYS A 111 11.879 -16.944 -5.797 1.00 0.00 H new ATOM 0 HE2 LYS A 111 14.331 -16.222 -4.147 1.00 0.00 H new ATOM 0 HE3 LYS A 111 14.087 -17.779 -4.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 15.326 -16.625 -6.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 13.750 -16.387 -7.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 14.530 -15.151 -6.176 1.00 0.00 H new ATOM 1714 N GLY A 112 8.800 -14.012 -2.317 1.00 0.00 N ATOM 1715 CA GLY A 112 8.903 -13.304 -1.062 1.00 0.00 C ATOM 1716 C GLY A 112 9.502 -11.930 -1.258 1.00 0.00 C ATOM 1717 O GLY A 112 10.469 -11.770 -2.003 1.00 0.00 O ATOM 0 H GLY A 112 7.981 -13.777 -2.877 1.00 0.00 H new ATOM 0 HA2 GLY A 112 7.915 -13.212 -0.611 1.00 0.00 H new ATOM 0 HA3 GLY A 112 9.518 -13.876 -0.368 1.00 0.00 H new ATOM 1721 N ILE A 113 8.931 -10.937 -0.600 1.00 0.00 N ATOM 1722 CA ILE A 113 9.380 -9.567 -0.771 1.00 0.00 C ATOM 1723 C ILE A 113 10.611 -9.274 0.081 1.00 0.00 C ATOM 1724 O ILE A 113 10.586 -9.405 1.308 1.00 0.00 O ATOM 1725 CB ILE A 113 8.261 -8.560 -0.433 1.00 0.00 C ATOM 1726 CG1 ILE A 113 7.091 -8.707 -1.417 1.00 0.00 C ATOM 1727 CG2 ILE A 113 8.799 -7.136 -0.449 1.00 0.00 C ATOM 1728 CD1 ILE A 113 7.472 -8.484 -2.869 1.00 0.00 C ATOM 0 H ILE A 113 8.158 -11.053 0.055 1.00 0.00 H new ATOM 0 HA ILE A 113 9.647 -9.451 -1.821 1.00 0.00 H new ATOM 0 HB ILE A 113 7.895 -8.776 0.571 1.00 0.00 H new ATOM 0 HG12 ILE A 113 6.666 -9.705 -1.313 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.309 -7.998 -1.144 1.00 0.00 H new ATOM 0 HG21 ILE A 113 7.995 -6.441 -0.208 1.00 0.00 H new ATOM 0 HG22 ILE A 113 9.595 -7.040 0.289 1.00 0.00 H new ATOM 0 HG23 ILE A 113 9.193 -6.907 -1.439 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.591 -8.606 -3.499 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.869 -7.476 -2.990 1.00 0.00 H new ATOM 0 HD13 ILE A 113 8.231 -9.210 -3.162 1.00 0.00 H new ATOM 1740 N THR A 114 11.688 -8.898 -0.588 1.00 0.00 N ATOM 1741 CA THR A 114 12.916 -8.499 0.073 1.00 0.00 C ATOM 1742 C THR A 114 13.230 -7.032 -0.233 1.00 0.00 C ATOM 1743 O THR A 114 12.605 -6.431 -1.113 1.00 0.00 O ATOM 1744 CB THR A 114 14.083 -9.408 -0.357 1.00 0.00 C ATOM 1745 OG1 THR A 114 13.869 -9.870 -1.695 1.00 0.00 O ATOM 1746 CG2 THR A 114 14.212 -10.599 0.573 1.00 0.00 C ATOM 0 H THR A 114 11.734 -8.861 -1.606 1.00 0.00 H new ATOM 0 HA THR A 114 12.782 -8.606 1.149 1.00 0.00 H new ATOM 0 HB THR A 114 15.004 -8.827 -0.310 1.00 0.00 H new ATOM 0 HG1 THR A 114 14.365 -9.302 -2.321 1.00 0.00 H new ATOM 0 HG21 THR A 114 15.043 -11.226 0.249 1.00 0.00 H new ATOM 0 HG22 THR A 114 14.396 -10.249 1.589 1.00 0.00 H new ATOM 0 HG23 THR A 114 13.290 -11.179 0.551 1.00 0.00 H new ATOM 1754 N MET A 115 14.191 -6.462 0.484 1.00 0.00 N ATOM 1755 CA MET A 115 14.450 -5.023 0.412 1.00 0.00 C ATOM 1756 C MET A 115 15.048 -4.601 -0.931 1.00 0.00 C ATOM 1757 O MET A 115 14.681 -3.556 -1.477 1.00 0.00 O ATOM 1758 CB MET A 115 15.371 -4.586 1.551 1.00 0.00 C ATOM 1759 CG MET A 115 15.556 -3.080 1.613 1.00 0.00 C ATOM 1760 SD MET A 115 13.985 -2.208 1.760 1.00 0.00 S ATOM 1761 CE MET A 115 14.526 -0.510 1.599 1.00 0.00 C ATOM 0 H MET A 115 14.804 -6.970 1.121 1.00 0.00 H new ATOM 0 HA MET A 115 13.485 -4.525 0.511 1.00 0.00 H new ATOM 0 HB2 MET A 115 14.961 -4.936 2.498 1.00 0.00 H new ATOM 0 HB3 MET A 115 16.344 -5.062 1.429 1.00 0.00 H new ATOM 0 HG2 MET A 115 16.191 -2.828 2.463 1.00 0.00 H new ATOM 0 HG3 MET A 115 16.075 -2.742 0.716 1.00 0.00 H new ATOM 0 HE1 MET A 115 13.879 0.136 2.193 1.00 0.00 H new ATOM 0 HE2 MET A 115 15.553 -0.420 1.953 1.00 0.00 H new ATOM 0 HE3 MET A 115 14.476 -0.210 0.552 1.00 0.00 H new ATOM 1771 N ALA A 116 15.966 -5.405 -1.460 1.00 0.00 N ATOM 1772 CA ALA A 116 16.610 -5.102 -2.740 1.00 0.00 C ATOM 1773 C ALA A 116 15.569 -4.913 -3.838 1.00 0.00 C ATOM 1774 O ALA A 116 15.708 -4.050 -4.708 1.00 0.00 O ATOM 1775 CB ALA A 116 17.585 -6.209 -3.115 1.00 0.00 C ATOM 0 H ALA A 116 16.282 -6.271 -1.024 1.00 0.00 H new ATOM 0 HA ALA A 116 17.164 -4.170 -2.634 1.00 0.00 H new ATOM 0 HB1 ALA A 116 18.057 -5.971 -4.068 1.00 0.00 H new ATOM 0 HB2 ALA A 116 18.350 -6.297 -2.344 1.00 0.00 H new ATOM 0 HB3 ALA A 116 17.047 -7.153 -3.202 1.00 0.00 H new ATOM 1781 N GLN A 117 14.528 -5.729 -3.774 1.00 0.00 N ATOM 1782 CA GLN A 117 13.393 -5.628 -4.675 1.00 0.00 C ATOM 1783 C GLN A 117 12.746 -4.261 -4.562 1.00 0.00 C ATOM 1784 O GLN A 117 12.810 -3.495 -5.496 1.00 0.00 O ATOM 1785 CB GLN A 117 12.375 -6.735 -4.379 1.00 0.00 C ATOM 1786 CG GLN A 117 12.691 -8.080 -5.033 1.00 0.00 C ATOM 1787 CD GLN A 117 14.074 -8.622 -4.702 1.00 0.00 C ATOM 1788 OE1 GLN A 117 14.624 -8.366 -3.632 1.00 0.00 O ATOM 1789 NE2 GLN A 117 14.644 -9.381 -5.622 1.00 0.00 N ATOM 0 H GLN A 117 14.448 -6.483 -3.092 1.00 0.00 H new ATOM 0 HA GLN A 117 13.749 -5.754 -5.697 1.00 0.00 H new ATOM 0 HB2 GLN A 117 12.314 -6.876 -3.300 1.00 0.00 H new ATOM 0 HB3 GLN A 117 11.391 -6.405 -4.713 1.00 0.00 H new ATOM 0 HG2 GLN A 117 11.943 -8.808 -4.721 1.00 0.00 H new ATOM 0 HG3 GLN A 117 12.603 -7.976 -6.114 1.00 0.00 H new ATOM 0 HE21 GLN A 117 14.158 -9.572 -6.498 1.00 0.00 H new ATOM 0 HE22 GLN A 117 15.570 -9.775 -5.456 1.00 0.00 H new ATOM 1798 N MET A 118 12.160 -3.955 -3.410 1.00 0.00 N ATOM 1799 CA MET A 118 11.458 -2.683 -3.201 1.00 0.00 C ATOM 1800 C MET A 118 12.241 -1.476 -3.732 1.00 0.00 C ATOM 1801 O MET A 118 11.682 -0.645 -4.442 1.00 0.00 O ATOM 1802 CB MET A 118 11.127 -2.496 -1.718 1.00 0.00 C ATOM 1803 CG MET A 118 9.974 -3.368 -1.251 1.00 0.00 C ATOM 1804 SD MET A 118 8.415 -2.922 -2.044 1.00 0.00 S ATOM 1805 CE MET A 118 7.366 -4.287 -1.563 1.00 0.00 C ATOM 0 H MET A 118 12.155 -4.572 -2.598 1.00 0.00 H new ATOM 0 HA MET A 118 10.533 -2.734 -3.776 1.00 0.00 H new ATOM 0 HB2 MET A 118 12.011 -2.724 -1.123 1.00 0.00 H new ATOM 0 HB3 MET A 118 10.881 -1.450 -1.536 1.00 0.00 H new ATOM 0 HG2 MET A 118 10.202 -4.413 -1.464 1.00 0.00 H new ATOM 0 HG3 MET A 118 9.868 -3.279 -0.170 1.00 0.00 H new ATOM 0 HE1 MET A 118 6.333 -4.063 -1.828 1.00 0.00 H new ATOM 0 HE2 MET A 118 7.685 -5.191 -2.081 1.00 0.00 H new ATOM 0 HE3 MET A 118 7.439 -4.440 -0.486 1.00 0.00 H new ATOM 1815 N GLU A 119 13.530 -1.394 -3.419 1.00 0.00 N ATOM 1816 CA GLU A 119 14.366 -0.286 -3.895 1.00 0.00 C ATOM 1817 C GLU A 119 14.339 -0.177 -5.427 1.00 0.00 C ATOM 1818 O GLU A 119 13.965 0.858 -5.984 1.00 0.00 O ATOM 1819 CB GLU A 119 15.812 -0.468 -3.421 1.00 0.00 C ATOM 1820 CG GLU A 119 16.016 -0.253 -1.927 1.00 0.00 C ATOM 1821 CD GLU A 119 15.998 1.212 -1.531 1.00 0.00 C ATOM 1822 OE1 GLU A 119 16.938 1.946 -1.904 1.00 0.00 O ATOM 1823 OE2 GLU A 119 15.061 1.634 -0.823 1.00 0.00 O ATOM 0 H GLU A 119 14.021 -2.076 -2.841 1.00 0.00 H new ATOM 0 HA GLU A 119 13.958 0.635 -3.478 1.00 0.00 H new ATOM 0 HB2 GLU A 119 16.142 -1.474 -3.679 1.00 0.00 H new ATOM 0 HB3 GLU A 119 16.451 0.227 -3.966 1.00 0.00 H new ATOM 0 HG2 GLU A 119 15.235 -0.781 -1.380 1.00 0.00 H new ATOM 0 HG3 GLU A 119 16.968 -0.693 -1.629 1.00 0.00 H new ATOM 1830 N LEU A 120 14.715 -1.257 -6.101 1.00 0.00 N ATOM 1831 CA LEU A 120 14.829 -1.267 -7.561 1.00 0.00 C ATOM 1832 C LEU A 120 13.455 -1.258 -8.235 1.00 0.00 C ATOM 1833 O LEU A 120 13.297 -0.771 -9.351 1.00 0.00 O ATOM 1834 CB LEU A 120 15.610 -2.505 -8.006 1.00 0.00 C ATOM 1835 CG LEU A 120 17.072 -2.551 -7.554 1.00 0.00 C ATOM 1836 CD1 LEU A 120 17.719 -3.857 -7.986 1.00 0.00 C ATOM 1837 CD2 LEU A 120 17.842 -1.363 -8.113 1.00 0.00 C ATOM 0 H LEU A 120 14.949 -2.146 -5.659 1.00 0.00 H new ATOM 0 HA LEU A 120 15.357 -0.363 -7.863 1.00 0.00 H new ATOM 0 HB2 LEU A 120 15.101 -3.391 -7.627 1.00 0.00 H new ATOM 0 HB3 LEU A 120 15.581 -2.561 -9.094 1.00 0.00 H new ATOM 0 HG LEU A 120 17.099 -2.495 -6.466 1.00 0.00 H new ATOM 0 HD11 LEU A 120 18.758 -3.874 -7.657 1.00 0.00 H new ATOM 0 HD12 LEU A 120 17.183 -4.694 -7.539 1.00 0.00 H new ATOM 0 HD13 LEU A 120 17.681 -3.940 -9.072 1.00 0.00 H new ATOM 0 HD21 LEU A 120 18.879 -1.413 -7.781 1.00 0.00 H new ATOM 0 HD22 LEU A 120 17.808 -1.387 -9.202 1.00 0.00 H new ATOM 0 HD23 LEU A 120 17.391 -0.437 -7.757 1.00 0.00 H new ATOM 1849 N VAL A 121 12.480 -1.797 -7.533 1.00 0.00 N ATOM 1850 CA VAL A 121 11.133 -1.990 -8.044 1.00 0.00 C ATOM 1851 C VAL A 121 10.308 -0.705 -7.942 1.00 0.00 C ATOM 1852 O VAL A 121 9.596 -0.337 -8.878 1.00 0.00 O ATOM 1853 CB VAL A 121 10.456 -3.156 -7.277 1.00 0.00 C ATOM 1854 CG1 VAL A 121 8.949 -3.135 -7.389 1.00 0.00 C ATOM 1855 CG2 VAL A 121 10.979 -4.491 -7.777 1.00 0.00 C ATOM 0 H VAL A 121 12.601 -2.120 -6.573 1.00 0.00 H new ATOM 0 HA VAL A 121 11.190 -2.246 -9.102 1.00 0.00 H new ATOM 0 HB VAL A 121 10.709 -3.023 -6.225 1.00 0.00 H new ATOM 0 HG11 VAL A 121 8.531 -3.974 -6.833 1.00 0.00 H new ATOM 0 HG12 VAL A 121 8.567 -2.201 -6.978 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.661 -3.215 -8.437 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.495 -5.300 -7.229 1.00 0.00 H new ATOM 0 HG22 VAL A 121 10.762 -4.592 -8.840 1.00 0.00 H new ATOM 0 HG23 VAL A 121 12.057 -4.541 -7.621 1.00 0.00 H new ATOM 1865 N MET A 122 10.424 -0.012 -6.819 1.00 0.00 N ATOM 1866 CA MET A 122 9.737 1.260 -6.637 1.00 0.00 C ATOM 1867 C MET A 122 10.347 2.325 -7.540 1.00 0.00 C ATOM 1868 O MET A 122 9.637 3.162 -8.103 1.00 0.00 O ATOM 1869 CB MET A 122 9.797 1.700 -5.171 1.00 0.00 C ATOM 1870 CG MET A 122 8.666 1.146 -4.311 1.00 0.00 C ATOM 1871 SD MET A 122 8.498 -0.648 -4.421 1.00 0.00 S ATOM 1872 CE MET A 122 6.987 -0.808 -5.371 1.00 0.00 C ATOM 0 H MET A 122 10.986 -0.307 -6.021 1.00 0.00 H new ATOM 0 HA MET A 122 8.690 1.130 -6.912 1.00 0.00 H new ATOM 0 HB2 MET A 122 10.750 1.385 -4.746 1.00 0.00 H new ATOM 0 HB3 MET A 122 9.773 2.789 -5.128 1.00 0.00 H new ATOM 0 HG2 MET A 122 8.839 1.425 -3.272 1.00 0.00 H new ATOM 0 HG3 MET A 122 7.728 1.611 -4.613 1.00 0.00 H new ATOM 0 HE1 MET A 122 6.644 -1.842 -5.337 1.00 0.00 H new ATOM 0 HE2 MET A 122 6.221 -0.157 -4.949 1.00 0.00 H new ATOM 0 HE3 MET A 122 7.176 -0.522 -6.406 1.00 0.00 H new ATOM 1882 N LYS A 123 11.664 2.272 -7.695 1.00 0.00 N ATOM 1883 CA LYS A 123 12.368 3.182 -8.589 1.00 0.00 C ATOM 1884 C LYS A 123 12.054 2.841 -10.047 1.00 0.00 C ATOM 1885 O LYS A 123 12.076 3.709 -10.919 1.00 0.00 O ATOM 1886 CB LYS A 123 13.878 3.110 -8.327 1.00 0.00 C ATOM 1887 CG LYS A 123 14.709 4.066 -9.167 1.00 0.00 C ATOM 1888 CD LYS A 123 16.173 4.022 -8.759 1.00 0.00 C ATOM 1889 CE LYS A 123 17.047 4.862 -9.677 1.00 0.00 C ATOM 1890 NZ LYS A 123 16.609 6.281 -9.735 1.00 0.00 N ATOM 0 H LYS A 123 12.267 1.607 -7.212 1.00 0.00 H new ATOM 0 HA LYS A 123 12.031 4.201 -8.397 1.00 0.00 H new ATOM 0 HB2 LYS A 123 14.062 3.319 -7.273 1.00 0.00 H new ATOM 0 HB3 LYS A 123 14.218 2.092 -8.514 1.00 0.00 H new ATOM 0 HG2 LYS A 123 14.614 3.805 -10.221 1.00 0.00 H new ATOM 0 HG3 LYS A 123 14.327 5.081 -9.054 1.00 0.00 H new ATOM 0 HD2 LYS A 123 16.275 4.380 -7.735 1.00 0.00 H new ATOM 0 HD3 LYS A 123 16.522 2.989 -8.772 1.00 0.00 H new ATOM 0 HE2 LYS A 123 18.080 4.817 -9.332 1.00 0.00 H new ATOM 0 HE3 LYS A 123 17.028 4.437 -10.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 17.302 6.836 -10.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 15.680 6.339 -10.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 16.538 6.662 -8.770 1.00 0.00 H new ATOM 1904 N ALA A 124 11.744 1.571 -10.296 1.00 0.00 N ATOM 1905 CA ALA A 124 11.408 1.098 -11.636 1.00 0.00 C ATOM 1906 C ALA A 124 10.154 1.782 -12.171 1.00 0.00 C ATOM 1907 O ALA A 124 10.107 2.194 -13.330 1.00 0.00 O ATOM 1908 CB ALA A 124 11.212 -0.410 -11.630 1.00 0.00 C ATOM 0 H ALA A 124 11.719 0.845 -9.580 1.00 0.00 H new ATOM 0 HA ALA A 124 12.239 1.351 -12.294 1.00 0.00 H new ATOM 0 HB1 ALA A 124 10.962 -0.748 -12.636 1.00 0.00 H new ATOM 0 HB2 ALA A 124 12.131 -0.895 -11.302 1.00 0.00 H new ATOM 0 HB3 ALA A 124 10.402 -0.669 -10.948 1.00 0.00 H new ATOM 1914 N ALA A 125 9.143 1.908 -11.321 1.00 0.00 N ATOM 1915 CA ALA A 125 7.879 2.515 -11.724 1.00 0.00 C ATOM 1916 C ALA A 125 7.896 4.023 -11.508 1.00 0.00 C ATOM 1917 O ALA A 125 6.902 4.708 -11.760 1.00 0.00 O ATOM 1918 CB ALA A 125 6.722 1.887 -10.967 1.00 0.00 C ATOM 0 H ALA A 125 9.172 1.599 -10.349 1.00 0.00 H new ATOM 0 HA ALA A 125 7.745 2.329 -12.790 1.00 0.00 H new ATOM 0 HB1 ALA A 125 5.787 2.352 -11.280 1.00 0.00 H new ATOM 0 HB2 ALA A 125 6.685 0.819 -11.180 1.00 0.00 H new ATOM 0 HB3 ALA A 125 6.862 2.039 -9.897 1.00 0.00 H new ATOM 1924 N GLY A 126 9.029 4.533 -11.041 1.00 0.00 N ATOM 1925 CA GLY A 126 9.166 5.955 -10.802 1.00 0.00 C ATOM 1926 C GLY A 126 8.255 6.443 -9.694 1.00 0.00 C ATOM 1927 O GLY A 126 7.569 7.459 -9.844 1.00 0.00 O ATOM 0 H GLY A 126 9.859 3.982 -10.823 1.00 0.00 H new ATOM 0 HA2 GLY A 126 10.201 6.180 -10.544 1.00 0.00 H new ATOM 0 HA3 GLY A 126 8.941 6.499 -11.720 1.00 0.00 H new ATOM 1931 N PHE A 127 8.226 5.711 -8.588 1.00 0.00 N ATOM 1932 CA PHE A 127 7.412 6.094 -7.444 1.00 0.00 C ATOM 1933 C PHE A 127 8.090 7.208 -6.660 1.00 0.00 C ATOM 1934 O PHE A 127 9.299 7.404 -6.759 1.00 0.00 O ATOM 1935 CB PHE A 127 7.152 4.896 -6.530 1.00 0.00 C ATOM 1936 CG PHE A 127 6.197 3.886 -7.104 1.00 0.00 C ATOM 1937 CD1 PHE A 127 4.946 4.274 -7.562 1.00 0.00 C ATOM 1938 CD2 PHE A 127 6.540 2.546 -7.167 1.00 0.00 C ATOM 1939 CE1 PHE A 127 4.062 3.345 -8.077 1.00 0.00 C ATOM 1940 CE2 PHE A 127 5.661 1.614 -7.681 1.00 0.00 C ATOM 1941 CZ PHE A 127 4.420 2.014 -8.136 1.00 0.00 C ATOM 0 H PHE A 127 8.757 4.849 -8.460 1.00 0.00 H new ATOM 0 HA PHE A 127 6.454 6.455 -7.819 1.00 0.00 H new ATOM 0 HB2 PHE A 127 8.100 4.403 -6.315 1.00 0.00 H new ATOM 0 HB3 PHE A 127 6.757 5.256 -5.580 1.00 0.00 H new ATOM 0 HD1 PHE A 127 4.660 5.314 -7.515 1.00 0.00 H new ATOM 0 HD2 PHE A 127 7.508 2.226 -6.809 1.00 0.00 H new ATOM 0 HE1 PHE A 127 3.092 3.660 -8.433 1.00 0.00 H new ATOM 0 HE2 PHE A 127 5.944 0.573 -7.727 1.00 0.00 H new ATOM 0 HZ PHE A 127 3.731 1.286 -8.537 1.00 0.00 H new ATOM 1951 N LYS A 128 7.300 7.933 -5.887 1.00 0.00 N ATOM 1952 CA LYS A 128 7.801 9.060 -5.117 1.00 0.00 C ATOM 1953 C LYS A 128 7.819 8.697 -3.639 1.00 0.00 C ATOM 1954 O LYS A 128 6.768 8.616 -3.001 1.00 0.00 O ATOM 1955 CB LYS A 128 6.907 10.278 -5.366 1.00 0.00 C ATOM 1956 CG LYS A 128 6.607 10.489 -6.841 1.00 0.00 C ATOM 1957 CD LYS A 128 5.550 11.554 -7.065 1.00 0.00 C ATOM 1958 CE LYS A 128 5.091 11.558 -8.514 1.00 0.00 C ATOM 1959 NZ LYS A 128 4.079 12.610 -8.785 1.00 0.00 N ATOM 0 H LYS A 128 6.301 7.760 -5.775 1.00 0.00 H new ATOM 0 HA LYS A 128 8.818 9.302 -5.426 1.00 0.00 H new ATOM 0 HB2 LYS A 128 5.970 10.154 -4.822 1.00 0.00 H new ATOM 0 HB3 LYS A 128 7.392 11.168 -4.966 1.00 0.00 H new ATOM 0 HG2 LYS A 128 7.523 10.774 -7.359 1.00 0.00 H new ATOM 0 HG3 LYS A 128 6.272 9.549 -7.280 1.00 0.00 H new ATOM 0 HD2 LYS A 128 4.699 11.372 -6.409 1.00 0.00 H new ATOM 0 HD3 LYS A 128 5.951 12.533 -6.803 1.00 0.00 H new ATOM 0 HE2 LYS A 128 5.952 11.710 -9.165 1.00 0.00 H new ATOM 0 HE3 LYS A 128 4.672 10.583 -8.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 3.798 12.572 -9.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 3.245 12.452 -8.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 4.485 13.544 -8.575 1.00 0.00 H new ATOM 1973 N GLU A 129 9.005 8.456 -3.101 1.00 0.00 N ATOM 1974 CA GLU A 129 9.119 7.938 -1.745 1.00 0.00 C ATOM 1975 C GLU A 129 9.235 9.053 -0.715 1.00 0.00 C ATOM 1976 O GLU A 129 10.152 9.873 -0.758 1.00 0.00 O ATOM 1977 CB GLU A 129 10.302 6.978 -1.630 1.00 0.00 C ATOM 1978 CG GLU A 129 10.200 5.792 -2.574 1.00 0.00 C ATOM 1979 CD GLU A 129 10.910 4.568 -2.043 1.00 0.00 C ATOM 1980 OE1 GLU A 129 12.138 4.454 -2.229 1.00 0.00 O ATOM 1981 OE2 GLU A 129 10.243 3.716 -1.417 1.00 0.00 O ATOM 0 H GLU A 129 9.894 8.609 -3.576 1.00 0.00 H new ATOM 0 HA GLU A 129 8.201 7.391 -1.532 1.00 0.00 H new ATOM 0 HB2 GLU A 129 11.224 7.521 -1.836 1.00 0.00 H new ATOM 0 HB3 GLU A 129 10.369 6.614 -0.605 1.00 0.00 H new ATOM 0 HG2 GLU A 129 9.150 5.555 -2.742 1.00 0.00 H new ATOM 0 HG3 GLU A 129 10.624 6.063 -3.541 1.00 0.00 H new ATOM 1988 N VAL A 130 8.291 9.063 0.215 1.00 0.00 N ATOM 1989 CA VAL A 130 8.270 10.031 1.295 1.00 0.00 C ATOM 1990 C VAL A 130 8.980 9.454 2.513 1.00 0.00 C ATOM 1991 O VAL A 130 8.501 8.503 3.135 1.00 0.00 O ATOM 1992 CB VAL A 130 6.824 10.406 1.688 1.00 0.00 C ATOM 1993 CG1 VAL A 130 6.810 11.535 2.706 1.00 0.00 C ATOM 1994 CG2 VAL A 130 6.005 10.767 0.458 1.00 0.00 C ATOM 0 H VAL A 130 7.518 8.398 0.239 1.00 0.00 H new ATOM 0 HA VAL A 130 8.780 10.930 0.949 1.00 0.00 H new ATOM 0 HB VAL A 130 6.364 9.534 2.153 1.00 0.00 H new ATOM 0 HG11 VAL A 130 5.780 11.779 2.965 1.00 0.00 H new ATOM 0 HG12 VAL A 130 7.345 11.223 3.603 1.00 0.00 H new ATOM 0 HG13 VAL A 130 7.295 12.414 2.281 1.00 0.00 H new ATOM 0 HG21 VAL A 130 4.991 11.027 0.760 1.00 0.00 H new ATOM 0 HG22 VAL A 130 6.463 11.617 -0.047 1.00 0.00 H new ATOM 0 HG23 VAL A 130 5.974 9.915 -0.221 1.00 0.00 H new ATOM 2004 N LYS A 131 10.137 10.010 2.831 1.00 0.00 N ATOM 2005 CA LYS A 131 10.901 9.558 3.981 1.00 0.00 C ATOM 2006 C LYS A 131 10.162 9.884 5.274 1.00 0.00 C ATOM 2007 O LYS A 131 9.993 11.055 5.622 1.00 0.00 O ATOM 2008 CB LYS A 131 12.281 10.216 4.008 1.00 0.00 C ATOM 2009 CG LYS A 131 13.089 10.035 2.733 1.00 0.00 C ATOM 2010 CD LYS A 131 14.496 10.584 2.906 1.00 0.00 C ATOM 2011 CE LYS A 131 15.293 9.750 3.898 1.00 0.00 C ATOM 2012 NZ LYS A 131 16.507 10.455 4.385 1.00 0.00 N ATOM 0 H LYS A 131 10.567 10.774 2.310 1.00 0.00 H new ATOM 0 HA LYS A 131 11.023 8.478 3.897 1.00 0.00 H new ATOM 0 HB2 LYS A 131 12.158 11.282 4.197 1.00 0.00 H new ATOM 0 HB3 LYS A 131 12.848 9.807 4.844 1.00 0.00 H new ATOM 0 HG2 LYS A 131 13.135 8.977 2.473 1.00 0.00 H new ATOM 0 HG3 LYS A 131 12.593 10.545 1.907 1.00 0.00 H new ATOM 0 HD2 LYS A 131 15.006 10.594 1.943 1.00 0.00 H new ATOM 0 HD3 LYS A 131 14.447 11.617 3.252 1.00 0.00 H new ATOM 0 HE2 LYS A 131 14.659 9.496 4.747 1.00 0.00 H new ATOM 0 HE3 LYS A 131 15.586 8.812 3.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 17.316 9.802 4.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 16.707 11.268 3.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 16.348 10.789 5.357 1.00 0.00 H new ATOM 2026 N LEU A 132 9.715 8.854 5.976 1.00 0.00 N ATOM 2027 CA LEU A 132 9.034 9.047 7.245 1.00 0.00 C ATOM 2028 C LEU A 132 10.058 9.267 8.354 1.00 0.00 C ATOM 2029 O LEU A 132 10.369 8.362 9.127 1.00 0.00 O ATOM 2030 CB LEU A 132 8.134 7.848 7.567 1.00 0.00 C ATOM 2031 CG LEU A 132 7.209 8.032 8.772 1.00 0.00 C ATOM 2032 CD1 LEU A 132 6.249 9.189 8.536 1.00 0.00 C ATOM 2033 CD2 LEU A 132 6.440 6.751 9.055 1.00 0.00 C ATOM 0 H LEU A 132 9.811 7.880 5.689 1.00 0.00 H new ATOM 0 HA LEU A 132 8.400 9.931 7.172 1.00 0.00 H new ATOM 0 HB2 LEU A 132 7.524 7.627 6.691 1.00 0.00 H new ATOM 0 HB3 LEU A 132 8.765 6.977 7.744 1.00 0.00 H new ATOM 0 HG LEU A 132 7.822 8.265 9.643 1.00 0.00 H new ATOM 0 HD11 LEU A 132 5.599 9.305 9.403 1.00 0.00 H new ATOM 0 HD12 LEU A 132 6.816 10.107 8.382 1.00 0.00 H new ATOM 0 HD13 LEU A 132 5.643 8.985 7.653 1.00 0.00 H new ATOM 0 HD21 LEU A 132 5.787 6.901 9.915 1.00 0.00 H new ATOM 0 HD22 LEU A 132 5.839 6.488 8.185 1.00 0.00 H new ATOM 0 HD23 LEU A 132 7.142 5.945 9.268 1.00 0.00 H new ATOM 2045 N GLU A 133 10.610 10.470 8.389 1.00 0.00 N ATOM 2046 CA GLU A 133 11.639 10.819 9.356 1.00 0.00 C ATOM 2047 C GLU A 133 11.066 11.736 10.427 1.00 0.00 C ATOM 2048 O GLU A 133 10.114 12.478 10.174 1.00 0.00 O ATOM 2049 CB GLU A 133 12.795 11.539 8.659 1.00 0.00 C ATOM 2050 CG GLU A 133 13.342 10.813 7.445 1.00 0.00 C ATOM 2051 CD GLU A 133 14.283 11.684 6.637 1.00 0.00 C ATOM 2052 OE1 GLU A 133 13.795 12.553 5.884 1.00 0.00 O ATOM 2053 OE2 GLU A 133 15.512 11.509 6.750 1.00 0.00 O ATOM 0 H GLU A 133 10.360 11.227 7.753 1.00 0.00 H new ATOM 0 HA GLU A 133 12.001 9.900 9.816 1.00 0.00 H new ATOM 0 HB2 GLU A 133 12.459 12.530 8.354 1.00 0.00 H new ATOM 0 HB3 GLU A 133 13.603 11.683 9.376 1.00 0.00 H new ATOM 0 HG2 GLU A 133 13.867 9.914 7.767 1.00 0.00 H new ATOM 0 HG3 GLU A 133 12.515 10.490 6.813 1.00 0.00 H new ATOM 2060 N HIS A 134 11.663 11.703 11.609 1.00 0.00 N ATOM 2061 CA HIS A 134 11.284 12.617 12.677 1.00 0.00 C ATOM 2062 C HIS A 134 11.654 14.031 12.256 1.00 0.00 C ATOM 2063 O HIS A 134 10.920 14.983 12.509 1.00 0.00 O ATOM 2064 CB HIS A 134 12.005 12.244 13.979 1.00 0.00 C ATOM 2065 CG HIS A 134 11.444 12.884 15.220 1.00 0.00 C ATOM 2066 ND1 HIS A 134 11.288 12.195 16.403 1.00 0.00 N ATOM 2067 CD2 HIS A 134 11.023 14.148 15.472 1.00 0.00 C ATOM 2068 CE1 HIS A 134 10.795 13.001 17.323 1.00 0.00 C ATOM 2069 NE2 HIS A 134 10.626 14.192 16.787 1.00 0.00 N ATOM 0 H HIS A 134 12.411 11.054 11.853 1.00 0.00 H new ATOM 0 HA HIS A 134 10.211 12.552 12.855 1.00 0.00 H new ATOM 0 HB2 HIS A 134 11.970 11.161 14.099 1.00 0.00 H new ATOM 0 HB3 HIS A 134 13.055 12.521 13.888 1.00 0.00 H new ATOM 0 HD2 HIS A 134 11.003 14.968 14.770 1.00 0.00 H new ATOM 0 HE1 HIS A 134 10.568 12.730 18.344 1.00 0.00 H new ATOM 0 HE2 HIS A 134 10.260 15.013 17.269 1.00 0.00 H new ATOM 2078 N HIS A 135 12.788 14.146 11.573 1.00 0.00 N ATOM 2079 CA HIS A 135 13.271 15.439 11.101 1.00 0.00 C ATOM 2080 C HIS A 135 12.747 15.737 9.693 1.00 0.00 C ATOM 2081 O HIS A 135 13.296 16.572 8.974 1.00 0.00 O ATOM 2082 CB HIS A 135 14.812 15.497 11.141 1.00 0.00 C ATOM 2083 CG HIS A 135 15.524 14.689 10.089 1.00 0.00 C ATOM 2084 ND1 HIS A 135 16.402 15.248 9.189 1.00 0.00 N ATOM 2085 CD2 HIS A 135 15.504 13.364 9.810 1.00 0.00 C ATOM 2086 CE1 HIS A 135 16.888 14.307 8.402 1.00 0.00 C ATOM 2087 NE2 HIS A 135 16.360 13.151 8.756 1.00 0.00 N ATOM 0 H HIS A 135 13.391 13.359 11.334 1.00 0.00 H new ATOM 0 HA HIS A 135 12.888 16.209 11.771 1.00 0.00 H new ATOM 0 HB2 HIS A 135 15.121 16.538 11.044 1.00 0.00 H new ATOM 0 HB3 HIS A 135 15.145 15.156 12.121 1.00 0.00 H new ATOM 0 HD2 HIS A 135 14.922 12.612 10.322 1.00 0.00 H new ATOM 0 HE1 HIS A 135 17.598 14.458 7.603 1.00 0.00 H new ATOM 0 HE2 HIS A 135 16.555 12.250 8.320 1.00 0.00 H new ATOM 2096 N HIS A 136 11.679 15.051 9.304 1.00 0.00 N ATOM 2097 CA HIS A 136 11.047 15.294 8.012 1.00 0.00 C ATOM 2098 C HIS A 136 9.736 16.039 8.224 1.00 0.00 C ATOM 2099 O HIS A 136 9.440 17.010 7.531 1.00 0.00 O ATOM 2100 CB HIS A 136 10.792 13.974 7.280 1.00 0.00 C ATOM 2101 CG HIS A 136 10.646 14.117 5.796 1.00 0.00 C ATOM 2102 ND1 HIS A 136 11.616 13.704 4.910 1.00 0.00 N ATOM 2103 CD2 HIS A 136 9.633 14.606 5.040 1.00 0.00 C ATOM 2104 CE1 HIS A 136 11.210 13.934 3.676 1.00 0.00 C ATOM 2105 NE2 HIS A 136 10.010 14.479 3.727 1.00 0.00 N ATOM 0 H HIS A 136 11.233 14.324 9.863 1.00 0.00 H new ATOM 0 HA HIS A 136 11.714 15.900 7.398 1.00 0.00 H new ATOM 0 HB2 HIS A 136 11.614 13.290 7.489 1.00 0.00 H new ATOM 0 HB3 HIS A 136 9.887 13.517 7.681 1.00 0.00 H new ATOM 0 HD1 HIS A 136 12.510 13.285 5.168 1.00 0.00 H new ATOM 0 HD2 HIS A 136 8.703 15.018 5.403 1.00 0.00 H new ATOM 0 HE1 HIS A 136 11.766 13.713 2.777 1.00 0.00 H new ATOM 2114 N HIS A 137 8.951 15.568 9.186 1.00 0.00 N ATOM 2115 CA HIS A 137 7.728 16.255 9.577 1.00 0.00 C ATOM 2116 C HIS A 137 8.055 17.249 10.682 1.00 0.00 C ATOM 2117 O HIS A 137 8.500 16.859 11.760 1.00 0.00 O ATOM 2118 CB HIS A 137 6.669 15.253 10.059 1.00 0.00 C ATOM 2119 CG HIS A 137 5.361 15.885 10.438 1.00 0.00 C ATOM 2120 ND1 HIS A 137 5.106 16.388 11.697 1.00 0.00 N ATOM 2121 CD2 HIS A 137 4.229 16.088 9.720 1.00 0.00 C ATOM 2122 CE1 HIS A 137 3.876 16.871 11.735 1.00 0.00 C ATOM 2123 NE2 HIS A 137 3.324 16.702 10.550 1.00 0.00 N ATOM 0 H HIS A 137 9.140 14.713 9.709 1.00 0.00 H new ATOM 0 HA HIS A 137 7.320 16.782 8.714 1.00 0.00 H new ATOM 0 HB2 HIS A 137 6.492 14.520 9.272 1.00 0.00 H new ATOM 0 HB3 HIS A 137 7.062 14.710 10.919 1.00 0.00 H new ATOM 0 HD2 HIS A 137 4.069 15.817 8.687 1.00 0.00 H new ATOM 0 HE1 HIS A 137 3.403 17.327 12.592 1.00 0.00 H new ATOM 0 HE2 HIS A 137 2.378 16.982 10.292 1.00 0.00 H new ATOM 2132 N HIS A 138 7.826 18.521 10.419 1.00 0.00 N ATOM 2133 CA HIS A 138 8.247 19.568 11.338 1.00 0.00 C ATOM 2134 C HIS A 138 7.132 20.570 11.575 1.00 0.00 C ATOM 2135 O HIS A 138 6.178 20.646 10.800 1.00 0.00 O ATOM 2136 CB HIS A 138 9.481 20.296 10.788 1.00 0.00 C ATOM 2137 CG HIS A 138 9.234 21.042 9.507 1.00 0.00 C ATOM 2138 ND1 HIS A 138 8.943 22.390 9.458 1.00 0.00 N ATOM 2139 CD2 HIS A 138 9.230 20.615 8.222 1.00 0.00 C ATOM 2140 CE1 HIS A 138 8.775 22.757 8.201 1.00 0.00 C ATOM 2141 NE2 HIS A 138 8.944 21.699 7.429 1.00 0.00 N ATOM 0 H HIS A 138 7.353 18.857 9.580 1.00 0.00 H new ATOM 0 HA HIS A 138 8.497 19.095 12.288 1.00 0.00 H new ATOM 0 HB2 HIS A 138 9.841 20.997 11.541 1.00 0.00 H new ATOM 0 HB3 HIS A 138 10.276 19.568 10.624 1.00 0.00 H new ATOM 0 HD2 HIS A 138 9.417 19.607 7.883 1.00 0.00 H new ATOM 0 HE1 HIS A 138 8.539 23.755 7.861 1.00 0.00 H new ATOM 0 HE2 HIS A 138 8.874 21.689 6.411 1.00 0.00 H new ATOM 2150 N HIS A 139 7.257 21.324 12.652 1.00 0.00 N ATOM 2151 CA HIS A 139 6.368 22.442 12.908 1.00 0.00 C ATOM 2152 C HIS A 139 6.900 23.671 12.185 1.00 0.00 C ATOM 2153 O HIS A 139 7.916 24.233 12.642 1.00 0.00 O ATOM 2154 CB HIS A 139 6.250 22.706 14.418 1.00 0.00 C ATOM 2155 CG HIS A 139 5.419 23.909 14.765 1.00 0.00 C ATOM 2156 ND1 HIS A 139 4.058 23.857 14.970 1.00 0.00 N ATOM 2157 CD2 HIS A 139 5.771 25.207 14.942 1.00 0.00 C ATOM 2158 CE1 HIS A 139 3.610 25.066 15.249 1.00 0.00 C ATOM 2159 NE2 HIS A 139 4.629 25.905 15.240 1.00 0.00 N ATOM 2160 OXT HIS A 139 6.313 24.061 11.159 1.00 0.00 O ATOM 0 H HIS A 139 7.970 21.181 13.367 1.00 0.00 H new ATOM 0 HA HIS A 139 5.371 22.207 12.536 1.00 0.00 H new ATOM 0 HB2 HIS A 139 5.817 21.828 14.897 1.00 0.00 H new ATOM 0 HB3 HIS A 139 7.250 22.836 14.833 1.00 0.00 H new ATOM 0 HD2 HIS A 139 6.768 25.616 14.863 1.00 0.00 H new ATOM 0 HE1 HIS A 139 2.581 25.326 15.451 1.00 0.00 H new ATOM 0 HE2 HIS A 139 4.576 26.907 15.424 1.00 0.00 H new TER 2169 HIS A 139