USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 950 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 8 SER OG : rot 180:sc= 0.832 USER MOD Set 1.2: A 18 SER OG : rot 52:sc= 0.964 USER MOD Set 2.1: A 10 ASN : amide:sc= 0.32 X(o=0.5,f=0.73) USER MOD Set 2.2: A 26 TYR OH : rot 180:sc= 0.184 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 151:sc= 0.47 (180deg=-0.041) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 82:sc= 1.92 USER MOD Single : A 20 HIS : no HD1:sc= -0.084 X(o=-0.084,f=0.0097) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -1.02 K(o=-1,f=-1.8) USER MOD Single : A 35 ASN : amide:sc= -0.142 X(o=-0.14,f=-0.21) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 1.05 K(o=1.1,f=-8.5!) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 51 HIS : no HD1:sc= -0.0213 X(o=-0.021,f=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.0021) USER MOD Single : A 58 ASN : amide:sc= -0.21 K(o=-0.21,f=-1.7!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl -142:sc= -0.68 (180deg=-1.35) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 165:sc= 1.61 (180deg=1.06) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0248 USER MOD Single : A 101 ASN : amide:sc= 1.16 K(o=1.2,f=-0.012) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.0391 K(o=-0.039,f=-1.3) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 TYR OH : rot -30:sc= -0.34 USER MOD Single : A 116 HIS : no HD1:sc= -0.196 X(o=-0.2,f=-0.0034) USER MOD Single : A 118 HIS : no HD1:sc= -0.0142 X(o=-0.014,f=0) USER MOD Single : A 119 HIS : no HD1:sc=-0.00827 X(o=-0.0083,f=-0.11) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 121 HIS : no HD1:sc= -0.0715 X(o=-0.072,f=-0.26) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.483 -9.724 -4.530 1.00 0.00 N ATOM 2 CA MET A 1 -3.847 -8.651 -3.594 1.00 0.00 C ATOM 3 C MET A 1 -2.637 -8.195 -2.787 1.00 0.00 C ATOM 4 O MET A 1 -2.019 -9.001 -2.089 1.00 0.00 O ATOM 5 CB MET A 1 -5.053 -9.026 -2.742 1.00 0.00 C ATOM 6 CG MET A 1 -5.687 -7.757 -2.161 1.00 0.00 C ATOM 7 SD MET A 1 -7.493 -7.669 -2.372 1.00 0.00 S ATOM 8 CE MET A 1 -7.637 -7.407 -4.163 1.00 0.00 C ATOM 0 H1 MET A 1 -4.308 -10.336 -4.695 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.175 -9.308 -5.432 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.708 -10.289 -4.127 1.00 0.00 H new ATOM 0 HA MET A 1 -4.167 -7.784 -4.172 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.783 -9.566 -3.345 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.748 -9.694 -1.936 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.452 -7.700 -1.098 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.233 -6.887 -2.635 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.690 -7.334 -4.437 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.126 -6.484 -4.438 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.182 -8.245 -4.691 1.00 0.00 H new ATOM 18 N ILE A 2 -2.281 -6.910 -2.899 1.00 0.00 N ATOM 19 CA ILE A 2 -1.166 -6.255 -2.212 1.00 0.00 C ATOM 20 C ILE A 2 -1.670 -4.848 -1.839 1.00 0.00 C ATOM 21 O ILE A 2 -2.421 -4.245 -2.614 1.00 0.00 O ATOM 22 CB ILE A 2 0.099 -6.190 -3.111 1.00 0.00 C ATOM 23 CG1 ILE A 2 0.321 -7.485 -3.925 1.00 0.00 C ATOM 24 CG2 ILE A 2 1.353 -5.863 -2.284 1.00 0.00 C ATOM 25 CD1 ILE A 2 1.632 -7.540 -4.713 1.00 0.00 C ATOM 0 H ILE A 2 -2.791 -6.266 -3.504 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.864 -6.814 -1.326 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.076 -5.384 -3.824 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.289 -8.334 -3.243 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.509 -7.605 -4.622 1.00 0.00 H new ATOM 0 HG21 ILE A 2 2.222 -5.824 -2.941 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.225 -4.897 -1.795 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.503 -6.635 -1.529 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.694 -8.486 -5.250 1.00 0.00 H new ATOM 0 HD12 ILE A 2 1.663 -6.716 -5.426 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.474 -7.457 -4.025 1.00 0.00 H new ATOM 37 N ILE A 3 -1.270 -4.353 -0.667 1.00 0.00 N ATOM 38 CA ILE A 3 -1.752 -3.184 0.069 1.00 0.00 C ATOM 39 C ILE A 3 -0.544 -2.326 0.401 1.00 0.00 C ATOM 40 O ILE A 3 0.258 -2.723 1.240 1.00 0.00 O ATOM 41 CB ILE A 3 -2.456 -3.625 1.373 1.00 0.00 C ATOM 42 CG1 ILE A 3 -3.736 -4.404 1.039 1.00 0.00 C ATOM 43 CG2 ILE A 3 -2.769 -2.442 2.311 1.00 0.00 C ATOM 44 CD1 ILE A 3 -4.099 -5.377 2.165 1.00 0.00 C ATOM 0 H ILE A 3 -0.517 -4.813 -0.154 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.471 -2.627 -0.531 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.764 -4.273 1.911 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.558 -3.707 0.878 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.598 -4.955 0.109 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.263 -2.811 3.210 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.841 -1.941 2.586 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.425 -1.737 1.801 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -5.010 -5.915 1.901 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.285 -6.088 2.308 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.261 -4.821 3.088 1.00 0.00 H new ATOM 56 N ALA A 4 -0.382 -1.187 -0.264 1.00 0.00 N ATOM 57 CA ALA A 4 0.704 -0.257 0.062 1.00 0.00 C ATOM 58 C ALA A 4 0.326 0.651 1.216 1.00 0.00 C ATOM 59 O ALA A 4 -0.829 1.069 1.315 1.00 0.00 O ATOM 60 CB ALA A 4 1.060 0.643 -1.116 1.00 0.00 C ATOM 0 H ALA A 4 -0.984 -0.883 -1.029 1.00 0.00 H new ATOM 0 HA ALA A 4 1.557 -0.883 0.326 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.869 1.315 -0.829 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.379 0.030 -1.959 1.00 0.00 H new ATOM 0 HB3 ALA A 4 0.187 1.228 -1.404 1.00 0.00 H new ATOM 66 N ILE A 5 1.330 1.071 1.986 1.00 0.00 N ATOM 67 CA ILE A 5 1.209 2.071 3.034 1.00 0.00 C ATOM 68 C ILE A 5 2.500 2.903 2.997 1.00 0.00 C ATOM 69 O ILE A 5 3.584 2.337 3.149 1.00 0.00 O ATOM 70 CB ILE A 5 0.966 1.408 4.410 1.00 0.00 C ATOM 71 CG1 ILE A 5 -0.332 0.570 4.378 1.00 0.00 C ATOM 72 CG2 ILE A 5 0.868 2.489 5.503 1.00 0.00 C ATOM 73 CD1 ILE A 5 -0.669 -0.170 5.662 1.00 0.00 C ATOM 0 H ILE A 5 2.279 0.709 1.890 1.00 0.00 H new ATOM 0 HA ILE A 5 0.347 2.718 2.871 1.00 0.00 H new ATOM 0 HB ILE A 5 1.804 0.748 4.635 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.163 1.231 4.132 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.253 -0.158 3.570 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.697 2.015 6.469 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.798 3.057 5.537 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.040 3.161 5.277 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.598 -0.725 5.529 1.00 0.00 H new ATOM 0 HD12 ILE A 5 0.136 -0.863 5.905 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.788 0.547 6.475 1.00 0.00 H new ATOM 85 N PRO A 6 2.431 4.225 2.767 1.00 0.00 N ATOM 86 CA PRO A 6 3.572 5.113 2.908 1.00 0.00 C ATOM 87 C PRO A 6 3.881 5.282 4.391 1.00 0.00 C ATOM 88 O PRO A 6 3.011 5.732 5.140 1.00 0.00 O ATOM 89 CB PRO A 6 3.138 6.431 2.263 1.00 0.00 C ATOM 90 CG PRO A 6 1.618 6.441 2.355 1.00 0.00 C ATOM 91 CD PRO A 6 1.238 4.964 2.404 1.00 0.00 C ATOM 0 HA PRO A 6 4.478 4.736 2.433 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.569 7.285 2.785 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.470 6.490 1.226 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.276 6.970 3.244 1.00 0.00 H new ATOM 0 HG3 PRO A 6 1.170 6.940 1.495 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.445 4.795 3.132 1.00 0.00 H new ATOM 0 HD3 PRO A 6 0.859 4.632 1.437 1.00 0.00 H new ATOM 99 N VAL A 7 5.101 4.971 4.822 1.00 0.00 N ATOM 100 CA VAL A 7 5.503 5.069 6.225 1.00 0.00 C ATOM 101 C VAL A 7 6.641 6.068 6.380 1.00 0.00 C ATOM 102 O VAL A 7 7.363 6.350 5.420 1.00 0.00 O ATOM 103 CB VAL A 7 5.893 3.685 6.782 1.00 0.00 C ATOM 104 CG1 VAL A 7 4.674 2.786 6.995 1.00 0.00 C ATOM 105 CG2 VAL A 7 6.933 2.973 5.913 1.00 0.00 C ATOM 0 H VAL A 7 5.844 4.642 4.205 1.00 0.00 H new ATOM 0 HA VAL A 7 4.654 5.430 6.806 1.00 0.00 H new ATOM 0 HB VAL A 7 6.349 3.876 7.753 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.997 1.822 7.388 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.994 3.258 7.704 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.161 2.637 6.045 1.00 0.00 H new ATOM 0 HG21 VAL A 7 7.171 2.004 6.351 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.532 2.829 4.910 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.838 3.579 5.858 1.00 0.00 H new ATOM 115 N SER A 8 6.791 6.613 7.587 1.00 0.00 N ATOM 116 CA SER A 8 7.899 7.500 7.914 1.00 0.00 C ATOM 117 C SER A 8 9.174 6.727 8.257 1.00 0.00 C ATOM 118 O SER A 8 10.255 7.315 8.189 1.00 0.00 O ATOM 119 CB SER A 8 7.531 8.370 9.114 1.00 0.00 C ATOM 120 OG SER A 8 6.475 9.271 8.821 1.00 0.00 O ATOM 0 H SER A 8 6.148 6.450 8.362 1.00 0.00 H new ATOM 0 HA SER A 8 8.088 8.112 7.032 1.00 0.00 H new ATOM 0 HB2 SER A 8 7.240 7.731 9.948 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.408 8.933 9.435 1.00 0.00 H new ATOM 0 HG SER A 8 6.271 9.806 9.616 1.00 0.00 H new ATOM 126 N GLU A 9 9.088 5.451 8.652 1.00 0.00 N ATOM 127 CA GLU A 9 10.237 4.712 9.156 1.00 0.00 C ATOM 128 C GLU A 9 10.166 3.275 8.676 1.00 0.00 C ATOM 129 O GLU A 9 9.094 2.794 8.312 1.00 0.00 O ATOM 130 CB GLU A 9 10.261 4.748 10.692 1.00 0.00 C ATOM 131 CG GLU A 9 10.453 6.155 11.262 1.00 0.00 C ATOM 132 CD GLU A 9 10.509 6.127 12.784 1.00 0.00 C ATOM 133 OE1 GLU A 9 9.540 5.692 13.435 1.00 0.00 O ATOM 134 OE2 GLU A 9 11.519 6.579 13.372 1.00 0.00 O ATOM 0 H GLU A 9 8.223 4.910 8.629 1.00 0.00 H new ATOM 0 HA GLU A 9 11.150 5.175 8.781 1.00 0.00 H new ATOM 0 HB2 GLU A 9 9.327 4.334 11.073 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.065 4.105 11.051 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.373 6.588 10.869 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.635 6.797 10.937 1.00 0.00 H new ATOM 141 N ASN A 10 11.307 2.592 8.724 1.00 0.00 N ATOM 142 CA ASN A 10 11.440 1.186 8.414 1.00 0.00 C ATOM 143 C ASN A 10 11.270 0.448 9.729 1.00 0.00 C ATOM 144 O ASN A 10 12.187 0.414 10.551 1.00 0.00 O ATOM 145 CB ASN A 10 12.792 0.894 7.734 1.00 0.00 C ATOM 146 CG ASN A 10 14.029 1.375 8.490 1.00 0.00 C ATOM 147 OD1 ASN A 10 14.682 0.623 9.209 1.00 0.00 O ATOM 148 ND2 ASN A 10 14.387 2.637 8.354 1.00 0.00 N ATOM 0 H ASN A 10 12.191 3.025 8.990 1.00 0.00 H new ATOM 0 HA ASN A 10 10.687 0.854 7.699 1.00 0.00 H new ATOM 0 HB2 ASN A 10 12.877 -0.182 7.582 1.00 0.00 H new ATOM 0 HB3 ASN A 10 12.789 1.356 6.747 1.00 0.00 H new ATOM 0 HD21 ASN A 10 15.208 2.990 8.846 1.00 0.00 H new ATOM 0 HD22 ASN A 10 13.843 3.260 7.756 1.00 0.00 H new ATOM 155 N ARG A 11 10.072 -0.074 9.992 1.00 0.00 N ATOM 156 CA ARG A 11 9.826 -0.909 11.161 1.00 0.00 C ATOM 157 C ARG A 11 8.906 -2.075 10.801 1.00 0.00 C ATOM 158 O ARG A 11 8.068 -2.456 11.611 1.00 0.00 O ATOM 159 CB ARG A 11 9.245 -0.076 12.324 1.00 0.00 C ATOM 160 CG ARG A 11 9.998 1.218 12.670 1.00 0.00 C ATOM 161 CD ARG A 11 9.422 1.815 13.958 1.00 0.00 C ATOM 162 NE ARG A 11 10.051 3.101 14.305 1.00 0.00 N ATOM 163 CZ ARG A 11 10.896 3.351 15.311 1.00 0.00 C ATOM 164 NH1 ARG A 11 11.317 2.391 16.132 1.00 0.00 N ATOM 165 NH2 ARG A 11 11.299 4.595 15.508 1.00 0.00 N ATOM 0 H ARG A 11 9.252 0.070 9.403 1.00 0.00 H new ATOM 0 HA ARG A 11 10.778 -1.320 11.496 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.214 0.181 12.080 1.00 0.00 H new ATOM 0 HB3 ARG A 11 9.215 -0.704 13.214 1.00 0.00 H new ATOM 0 HG2 ARG A 11 11.061 1.010 12.796 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.908 1.934 11.853 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.348 1.958 13.842 1.00 0.00 H new ATOM 0 HD3 ARG A 11 9.563 1.111 14.778 1.00 0.00 H new ATOM 0 HE ARG A 11 9.814 3.894 13.708 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.995 1.432 16.003 1.00 0.00 H new ATOM 0 HH12 ARG A 11 11.962 2.615 16.890 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.965 5.342 14.898 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.943 4.808 16.270 1.00 0.00 H new ATOM 179 N GLY A 12 9.063 -2.686 9.624 1.00 0.00 N ATOM 180 CA GLY A 12 8.211 -3.801 9.203 1.00 0.00 C ATOM 181 C GLY A 12 6.730 -3.472 9.316 1.00 0.00 C ATOM 182 O GLY A 12 6.304 -2.345 9.062 1.00 0.00 O ATOM 0 H GLY A 12 9.776 -2.426 8.943 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.445 -4.064 8.171 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.434 -4.676 9.813 1.00 0.00 H new ATOM 186 N LYS A 13 5.940 -4.449 9.751 1.00 0.00 N ATOM 187 CA LYS A 13 4.528 -4.271 10.082 1.00 0.00 C ATOM 188 C LYS A 13 4.264 -3.189 11.144 1.00 0.00 C ATOM 189 O LYS A 13 3.127 -2.740 11.285 1.00 0.00 O ATOM 190 CB LYS A 13 3.933 -5.613 10.530 1.00 0.00 C ATOM 191 CG LYS A 13 4.599 -6.216 11.776 1.00 0.00 C ATOM 192 CD LYS A 13 5.790 -7.126 11.453 1.00 0.00 C ATOM 193 CE LYS A 13 7.030 -6.828 12.300 1.00 0.00 C ATOM 194 NZ LYS A 13 8.053 -7.873 12.072 1.00 0.00 N ATOM 0 H LYS A 13 6.269 -5.405 9.886 1.00 0.00 H new ATOM 0 HA LYS A 13 4.039 -3.919 9.174 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.870 -5.477 10.730 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.014 -6.325 9.709 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.935 -5.408 12.426 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.857 -6.786 12.335 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.496 -8.165 11.605 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.045 -7.018 10.399 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.433 -5.849 12.041 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.761 -6.793 13.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.894 -7.668 12.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.667 -8.801 12.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.318 -7.886 11.066 1.00 0.00 H new ATOM 208 N ASP A 14 5.287 -2.774 11.892 1.00 0.00 N ATOM 209 CA ASP A 14 5.210 -1.781 12.958 1.00 0.00 C ATOM 210 C ASP A 14 5.527 -0.371 12.416 1.00 0.00 C ATOM 211 O ASP A 14 5.484 0.598 13.172 1.00 0.00 O ATOM 212 CB ASP A 14 6.165 -2.140 14.124 1.00 0.00 C ATOM 213 CG ASP A 14 6.376 -3.643 14.365 1.00 0.00 C ATOM 214 OD1 ASP A 14 5.520 -4.300 14.989 1.00 0.00 O ATOM 215 OD2 ASP A 14 7.430 -4.190 13.949 1.00 0.00 O ATOM 0 H ASP A 14 6.231 -3.138 11.764 1.00 0.00 H new ATOM 0 HA ASP A 14 4.190 -1.782 13.342 1.00 0.00 H new ATOM 0 HB2 ASP A 14 7.135 -1.681 13.931 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.777 -1.694 15.040 1.00 0.00 H new ATOM 220 N SER A 15 5.872 -0.229 11.127 1.00 0.00 N ATOM 221 CA SER A 15 6.127 1.042 10.437 1.00 0.00 C ATOM 222 C SER A 15 4.975 2.037 10.670 1.00 0.00 C ATOM 223 O SER A 15 3.825 1.699 10.381 1.00 0.00 O ATOM 224 CB SER A 15 6.383 0.795 8.962 1.00 0.00 C ATOM 225 OG SER A 15 7.469 -0.082 8.760 1.00 0.00 O ATOM 0 H SER A 15 5.986 -1.034 10.511 1.00 0.00 H new ATOM 0 HA SER A 15 7.025 1.498 10.855 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.487 0.377 8.502 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.584 1.743 8.464 1.00 0.00 H new ATOM 0 HG SER A 15 7.166 -1.008 8.866 1.00 0.00 H new ATOM 231 N PRO A 16 5.239 3.236 11.221 1.00 0.00 N ATOM 232 CA PRO A 16 4.217 4.257 11.432 1.00 0.00 C ATOM 233 C PRO A 16 3.841 4.895 10.093 1.00 0.00 C ATOM 234 O PRO A 16 4.739 5.298 9.339 1.00 0.00 O ATOM 235 CB PRO A 16 4.862 5.267 12.385 1.00 0.00 C ATOM 236 CG PRO A 16 6.354 5.167 12.082 1.00 0.00 C ATOM 237 CD PRO A 16 6.526 3.689 11.739 1.00 0.00 C ATOM 0 HA PRO A 16 3.293 3.859 11.851 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.487 6.275 12.210 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.650 5.024 13.426 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.643 5.812 11.252 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.962 5.458 12.939 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.314 3.551 10.998 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.814 3.116 12.621 1.00 0.00 H new ATOM 245 N ILE A 17 2.542 5.007 9.783 1.00 0.00 N ATOM 246 CA ILE A 17 2.094 5.633 8.543 1.00 0.00 C ATOM 247 C ILE A 17 2.603 7.080 8.500 1.00 0.00 C ATOM 248 O ILE A 17 2.631 7.784 9.518 1.00 0.00 O ATOM 249 CB ILE A 17 0.558 5.511 8.387 1.00 0.00 C ATOM 250 CG1 ILE A 17 0.129 5.801 6.932 1.00 0.00 C ATOM 251 CG2 ILE A 17 -0.208 6.420 9.359 1.00 0.00 C ATOM 252 CD1 ILE A 17 -1.319 5.411 6.613 1.00 0.00 C ATOM 0 H ILE A 17 1.786 4.670 10.379 1.00 0.00 H new ATOM 0 HA ILE A 17 2.516 5.113 7.683 1.00 0.00 H new ATOM 0 HB ILE A 17 0.300 4.482 8.637 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.259 6.865 6.732 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.795 5.266 6.255 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.280 6.294 9.206 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.046 6.152 10.385 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.065 7.459 9.177 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.539 5.648 5.572 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.453 4.342 6.778 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.997 5.966 7.262 1.00 0.00 H new ATOM 264 N SER A 18 3.035 7.521 7.325 1.00 0.00 N ATOM 265 CA SER A 18 3.451 8.889 7.090 1.00 0.00 C ATOM 266 C SER A 18 2.217 9.735 6.776 1.00 0.00 C ATOM 267 O SER A 18 1.097 9.235 6.637 1.00 0.00 O ATOM 268 CB SER A 18 4.457 8.920 5.938 1.00 0.00 C ATOM 269 OG SER A 18 5.499 9.839 6.221 1.00 0.00 O ATOM 0 H SER A 18 3.105 6.926 6.500 1.00 0.00 H new ATOM 0 HA SER A 18 3.936 9.301 7.975 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.873 7.925 5.782 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.954 9.203 5.014 1.00 0.00 H new ATOM 0 HG SER A 18 5.875 9.645 7.105 1.00 0.00 H new ATOM 275 N GLU A 19 2.419 11.041 6.626 1.00 0.00 N ATOM 276 CA GLU A 19 1.301 11.954 6.438 1.00 0.00 C ATOM 277 C GLU A 19 0.984 12.136 4.961 1.00 0.00 C ATOM 278 O GLU A 19 -0.123 12.567 4.651 1.00 0.00 O ATOM 279 CB GLU A 19 1.544 13.354 7.051 1.00 0.00 C ATOM 280 CG GLU A 19 2.507 13.475 8.241 1.00 0.00 C ATOM 281 CD GLU A 19 3.987 13.297 7.868 1.00 0.00 C ATOM 282 OE1 GLU A 19 4.417 13.699 6.755 1.00 0.00 O ATOM 283 OE2 GLU A 19 4.723 12.719 8.691 1.00 0.00 O ATOM 0 H GLU A 19 3.337 11.485 6.631 1.00 0.00 H new ATOM 0 HA GLU A 19 0.463 11.490 6.959 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.914 14.004 6.258 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.578 13.751 7.364 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.375 14.453 8.704 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.239 12.729 8.989 1.00 0.00 H new ATOM 290 N HIS A 20 1.926 11.867 4.057 1.00 0.00 N ATOM 291 CA HIS A 20 1.862 12.110 2.619 1.00 0.00 C ATOM 292 C HIS A 20 2.288 10.827 1.895 1.00 0.00 C ATOM 293 O HIS A 20 2.445 9.777 2.510 1.00 0.00 O ATOM 294 CB HIS A 20 2.800 13.285 2.258 1.00 0.00 C ATOM 295 CG HIS A 20 2.473 14.667 2.793 1.00 0.00 C ATOM 296 ND1 HIS A 20 3.322 15.756 2.699 1.00 0.00 N ATOM 297 CD2 HIS A 20 1.306 15.103 3.365 1.00 0.00 C ATOM 298 CE1 HIS A 20 2.697 16.818 3.241 1.00 0.00 C ATOM 299 NE2 HIS A 20 1.475 16.443 3.661 1.00 0.00 N ATOM 0 H HIS A 20 2.813 11.445 4.330 1.00 0.00 H new ATOM 0 HA HIS A 20 0.850 12.375 2.314 1.00 0.00 H new ATOM 0 HB2 HIS A 20 3.802 13.026 2.601 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.843 13.353 1.171 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.421 14.511 3.550 1.00 0.00 H new ATOM 0 HE1 HIS A 20 3.110 17.812 3.325 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.790 17.044 4.119 1.00 0.00 H new ATOM 308 N PHE A 21 2.390 10.881 0.568 1.00 0.00 N ATOM 309 CA PHE A 21 2.866 9.780 -0.274 1.00 0.00 C ATOM 310 C PHE A 21 4.097 10.222 -1.052 1.00 0.00 C ATOM 311 O PHE A 21 5.086 9.501 -1.083 1.00 0.00 O ATOM 312 CB PHE A 21 1.745 9.347 -1.228 1.00 0.00 C ATOM 313 CG PHE A 21 2.168 8.392 -2.331 1.00 0.00 C ATOM 314 CD1 PHE A 21 2.218 7.006 -2.097 1.00 0.00 C ATOM 315 CD2 PHE A 21 2.499 8.890 -3.608 1.00 0.00 C ATOM 316 CE1 PHE A 21 2.616 6.135 -3.128 1.00 0.00 C ATOM 317 CE2 PHE A 21 2.831 8.007 -4.653 1.00 0.00 C ATOM 318 CZ PHE A 21 2.919 6.632 -4.401 1.00 0.00 C ATOM 0 H PHE A 21 2.138 11.712 0.033 1.00 0.00 H new ATOM 0 HA PHE A 21 3.142 8.930 0.351 1.00 0.00 H new ATOM 0 HB2 PHE A 21 0.955 8.875 -0.644 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.315 10.238 -1.686 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.951 6.611 -1.128 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.498 9.955 -3.785 1.00 0.00 H new ATOM 0 HE1 PHE A 21 2.688 5.075 -2.936 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.017 8.389 -5.646 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.220 5.956 -5.188 1.00 0.00 H new ATOM 328 N GLY A 22 4.036 11.397 -1.689 1.00 0.00 N ATOM 329 CA GLY A 22 4.994 11.798 -2.714 1.00 0.00 C ATOM 330 C GLY A 22 6.442 11.916 -2.248 1.00 0.00 C ATOM 331 O GLY A 22 7.344 11.871 -3.085 1.00 0.00 O ATOM 0 H GLY A 22 3.316 12.096 -1.504 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.951 11.076 -3.530 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.682 12.759 -3.122 1.00 0.00 H new ATOM 335 N ARG A 23 6.685 12.050 -0.941 1.00 0.00 N ATOM 336 CA ARG A 23 8.018 11.936 -0.357 1.00 0.00 C ATOM 337 C ARG A 23 7.981 11.068 0.900 1.00 0.00 C ATOM 338 O ARG A 23 8.757 11.297 1.820 1.00 0.00 O ATOM 339 CB ARG A 23 8.587 13.360 -0.123 1.00 0.00 C ATOM 340 CG ARG A 23 7.760 14.280 0.799 1.00 0.00 C ATOM 341 CD ARG A 23 8.325 14.440 2.219 1.00 0.00 C ATOM 342 NE ARG A 23 7.331 15.030 3.133 1.00 0.00 N ATOM 343 CZ ARG A 23 7.120 14.657 4.406 1.00 0.00 C ATOM 344 NH1 ARG A 23 7.925 13.783 4.989 1.00 0.00 N ATOM 345 NH2 ARG A 23 6.092 15.159 5.088 1.00 0.00 N ATOM 0 H ARG A 23 5.954 12.242 -0.256 1.00 0.00 H new ATOM 0 HA ARG A 23 8.698 11.426 -1.040 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.588 13.264 0.297 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.693 13.850 -1.091 1.00 0.00 H new ATOM 0 HG2 ARG A 23 7.689 15.265 0.338 1.00 0.00 H new ATOM 0 HG3 ARG A 23 6.746 13.886 0.868 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.638 13.467 2.599 1.00 0.00 H new ATOM 0 HD3 ARG A 23 9.213 15.071 2.189 1.00 0.00 H new ATOM 0 HE ARG A 23 6.753 15.787 2.767 1.00 0.00 H new ATOM 0 HH11 ARG A 23 8.711 13.389 4.471 1.00 0.00 H new ATOM 0 HH12 ARG A 23 7.760 13.504 5.956 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.463 15.828 4.644 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.934 14.874 6.055 1.00 0.00 H new ATOM 359 N ALA A 24 7.187 9.997 0.897 1.00 0.00 N ATOM 360 CA ALA A 24 7.215 9.006 1.963 1.00 0.00 C ATOM 361 C ALA A 24 8.531 8.232 1.806 1.00 0.00 C ATOM 362 O ALA A 24 8.818 7.807 0.684 1.00 0.00 O ATOM 363 CB ALA A 24 6.021 8.067 1.811 1.00 0.00 C ATOM 0 H ALA A 24 6.512 9.796 0.159 1.00 0.00 H new ATOM 0 HA ALA A 24 7.156 9.469 2.948 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.039 7.324 2.608 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.097 8.641 1.871 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.074 7.565 0.845 1.00 0.00 H new ATOM 369 N PRO A 25 9.350 8.070 2.854 1.00 0.00 N ATOM 370 CA PRO A 25 10.650 7.421 2.734 1.00 0.00 C ATOM 371 C PRO A 25 10.596 5.922 2.413 1.00 0.00 C ATOM 372 O PRO A 25 11.579 5.393 1.894 1.00 0.00 O ATOM 373 CB PRO A 25 11.361 7.701 4.057 1.00 0.00 C ATOM 374 CG PRO A 25 10.248 8.033 5.040 1.00 0.00 C ATOM 375 CD PRO A 25 9.206 8.697 4.154 1.00 0.00 C ATOM 0 HA PRO A 25 11.186 7.826 1.876 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.934 6.835 4.388 1.00 0.00 H new ATOM 0 HB3 PRO A 25 12.062 8.530 3.960 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.856 7.139 5.525 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.592 8.700 5.831 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.202 8.551 4.552 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.371 9.773 4.092 1.00 0.00 H new ATOM 383 N TYR A 26 9.485 5.232 2.690 1.00 0.00 N ATOM 384 CA TYR A 26 9.348 3.801 2.437 1.00 0.00 C ATOM 385 C TYR A 26 7.902 3.498 2.025 1.00 0.00 C ATOM 386 O TYR A 26 7.004 4.315 2.270 1.00 0.00 O ATOM 387 CB TYR A 26 9.751 2.978 3.676 1.00 0.00 C ATOM 388 CG TYR A 26 10.942 3.429 4.494 1.00 0.00 C ATOM 389 CD1 TYR A 26 10.832 4.511 5.383 1.00 0.00 C ATOM 390 CD2 TYR A 26 12.163 2.743 4.392 1.00 0.00 C ATOM 391 CE1 TYR A 26 11.953 4.968 6.083 1.00 0.00 C ATOM 392 CE2 TYR A 26 13.301 3.231 5.057 1.00 0.00 C ATOM 393 CZ TYR A 26 13.206 4.372 5.879 1.00 0.00 C ATOM 394 OH TYR A 26 14.280 4.876 6.536 1.00 0.00 O ATOM 0 H TYR A 26 8.652 5.657 3.099 1.00 0.00 H new ATOM 0 HA TYR A 26 10.019 3.517 1.627 1.00 0.00 H new ATOM 0 HB2 TYR A 26 8.889 2.940 4.342 1.00 0.00 H new ATOM 0 HB3 TYR A 26 9.945 1.957 3.346 1.00 0.00 H new ATOM 0 HD1 TYR A 26 9.876 4.993 5.527 1.00 0.00 H new ATOM 0 HD2 TYR A 26 12.228 1.840 3.803 1.00 0.00 H new ATOM 0 HE1 TYR A 26 11.853 5.784 6.784 1.00 0.00 H new ATOM 0 HE2 TYR A 26 14.251 2.730 4.938 1.00 0.00 H new ATOM 0 HH TYR A 26 15.080 4.362 6.298 1.00 0.00 H new ATOM 404 N PHE A 27 7.671 2.313 1.451 1.00 0.00 N ATOM 405 CA PHE A 27 6.365 1.832 1.012 1.00 0.00 C ATOM 406 C PHE A 27 6.194 0.401 1.481 1.00 0.00 C ATOM 407 O PHE A 27 6.775 -0.527 0.906 1.00 0.00 O ATOM 408 CB PHE A 27 6.189 1.906 -0.513 1.00 0.00 C ATOM 409 CG PHE A 27 6.120 3.305 -1.090 1.00 0.00 C ATOM 410 CD1 PHE A 27 5.252 4.260 -0.529 1.00 0.00 C ATOM 411 CD2 PHE A 27 6.894 3.648 -2.213 1.00 0.00 C ATOM 412 CE1 PHE A 27 5.141 5.533 -1.106 1.00 0.00 C ATOM 413 CE2 PHE A 27 6.763 4.913 -2.808 1.00 0.00 C ATOM 414 CZ PHE A 27 5.876 5.853 -2.257 1.00 0.00 C ATOM 0 H PHE A 27 8.418 1.641 1.275 1.00 0.00 H new ATOM 0 HA PHE A 27 5.603 2.478 1.448 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.018 1.377 -0.984 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.277 1.374 -0.783 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.671 4.012 0.347 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.594 2.934 -2.620 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.487 6.270 -0.663 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.341 5.162 -3.685 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.760 6.822 -2.720 1.00 0.00 H new ATOM 424 N ALA A 28 5.394 0.230 2.527 1.00 0.00 N ATOM 425 CA ALA A 28 5.056 -1.065 3.061 1.00 0.00 C ATOM 426 C ALA A 28 3.967 -1.662 2.182 1.00 0.00 C ATOM 427 O ALA A 28 2.792 -1.396 2.411 1.00 0.00 O ATOM 428 CB ALA A 28 4.633 -0.920 4.523 1.00 0.00 C ATOM 0 H ALA A 28 4.960 1.005 3.029 1.00 0.00 H new ATOM 0 HA ALA A 28 5.910 -1.742 3.052 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.377 -1.900 4.927 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.454 -0.493 5.099 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.765 -0.263 4.587 1.00 0.00 H new ATOM 434 N PHE A 29 4.342 -2.422 1.153 1.00 0.00 N ATOM 435 CA PHE A 29 3.420 -3.232 0.374 1.00 0.00 C ATOM 436 C PHE A 29 3.234 -4.529 1.157 1.00 0.00 C ATOM 437 O PHE A 29 4.078 -5.415 1.127 1.00 0.00 O ATOM 438 CB PHE A 29 3.938 -3.430 -1.063 1.00 0.00 C ATOM 439 CG PHE A 29 3.321 -2.490 -2.104 1.00 0.00 C ATOM 440 CD1 PHE A 29 1.916 -2.397 -2.259 1.00 0.00 C ATOM 441 CD2 PHE A 29 4.142 -1.724 -2.962 1.00 0.00 C ATOM 442 CE1 PHE A 29 1.347 -1.512 -3.185 1.00 0.00 C ATOM 443 CE2 PHE A 29 3.566 -0.903 -3.953 1.00 0.00 C ATOM 444 CZ PHE A 29 2.170 -0.754 -4.029 1.00 0.00 C ATOM 0 H PHE A 29 5.309 -2.490 0.837 1.00 0.00 H new ATOM 0 HA PHE A 29 2.451 -2.751 0.242 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.019 -3.293 -1.066 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.746 -4.460 -1.365 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.273 -3.018 -1.654 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.216 -1.768 -2.858 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.273 -1.414 -3.248 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.201 -0.386 -4.657 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.735 -0.060 -4.733 1.00 0.00 H new ATOM 454 N VAL A 30 2.192 -4.596 1.978 1.00 0.00 N ATOM 455 CA VAL A 30 1.757 -5.817 2.654 1.00 0.00 C ATOM 456 C VAL A 30 0.952 -6.625 1.636 1.00 0.00 C ATOM 457 O VAL A 30 0.402 -6.062 0.694 1.00 0.00 O ATOM 458 CB VAL A 30 0.879 -5.430 3.870 1.00 0.00 C ATOM 459 CG1 VAL A 30 0.637 -6.623 4.800 1.00 0.00 C ATOM 460 CG2 VAL A 30 1.524 -4.306 4.699 1.00 0.00 C ATOM 0 H VAL A 30 1.612 -3.786 2.198 1.00 0.00 H new ATOM 0 HA VAL A 30 2.599 -6.406 3.017 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.070 -5.089 3.456 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.017 -6.310 5.640 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.129 -7.416 4.250 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.592 -6.994 5.172 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.880 -4.061 5.543 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.495 -4.637 5.067 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.655 -3.422 4.074 1.00 0.00 H new ATOM 470 N LYS A 31 0.863 -7.943 1.788 1.00 0.00 N ATOM 471 CA LYS A 31 0.094 -8.772 0.863 1.00 0.00 C ATOM 472 C LYS A 31 -1.286 -9.069 1.435 1.00 0.00 C ATOM 473 O LYS A 31 -1.679 -8.496 2.453 1.00 0.00 O ATOM 474 CB LYS A 31 0.919 -10.014 0.514 1.00 0.00 C ATOM 475 CG LYS A 31 2.145 -9.589 -0.311 1.00 0.00 C ATOM 476 CD LYS A 31 2.559 -10.666 -1.319 1.00 0.00 C ATOM 477 CE LYS A 31 1.528 -10.703 -2.462 1.00 0.00 C ATOM 478 NZ LYS A 31 1.493 -11.998 -3.164 1.00 0.00 N ATOM 0 H LYS A 31 1.314 -8.461 2.543 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.097 -8.246 -0.073 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.236 -10.522 1.424 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.312 -10.722 -0.051 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.922 -8.663 -0.841 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.979 -9.380 0.359 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.552 -10.451 -1.714 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.614 -11.639 -0.830 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.539 -10.488 -2.059 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.759 -9.914 -3.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.782 -11.963 -3.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.428 -12.195 -3.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.245 -12.751 -2.491 1.00 0.00 H new ATOM 492 N VAL A 32 -2.031 -9.946 0.768 1.00 0.00 N ATOM 493 CA VAL A 32 -3.065 -10.763 1.376 1.00 0.00 C ATOM 494 C VAL A 32 -2.933 -12.155 0.754 1.00 0.00 C ATOM 495 O VAL A 32 -2.397 -12.333 -0.351 1.00 0.00 O ATOM 496 CB VAL A 32 -4.484 -10.169 1.137 1.00 0.00 C ATOM 497 CG1 VAL A 32 -5.600 -10.789 1.997 1.00 0.00 C ATOM 498 CG2 VAL A 32 -4.589 -8.652 1.339 1.00 0.00 C ATOM 0 H VAL A 32 -1.926 -10.109 -0.234 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.940 -10.802 2.458 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.631 -10.423 0.087 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.550 -10.311 1.760 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.669 -11.857 1.789 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.372 -10.639 3.052 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.613 -8.330 1.151 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.312 -8.401 2.363 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.916 -8.145 0.647 1.00 0.00 H new ATOM 508 N LYS A 33 -3.437 -13.148 1.475 1.00 0.00 N ATOM 509 CA LYS A 33 -3.779 -14.486 1.020 1.00 0.00 C ATOM 510 C LYS A 33 -4.857 -14.962 1.977 1.00 0.00 C ATOM 511 O LYS A 33 -4.688 -14.741 3.173 1.00 0.00 O ATOM 512 CB LYS A 33 -2.575 -15.423 1.159 1.00 0.00 C ATOM 513 CG LYS A 33 -2.830 -16.816 0.549 1.00 0.00 C ATOM 514 CD LYS A 33 -2.032 -17.914 1.252 1.00 0.00 C ATOM 515 CE LYS A 33 -2.568 -18.177 2.667 1.00 0.00 C ATOM 516 NZ LYS A 33 -1.770 -19.192 3.383 1.00 0.00 N ATOM 0 H LYS A 33 -3.632 -13.028 2.469 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.093 -14.481 -0.024 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.710 -14.971 0.673 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.326 -15.533 2.214 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.893 -17.047 0.610 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.568 -16.800 -0.509 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.080 -18.832 0.667 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.982 -17.625 1.307 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.564 -17.246 3.235 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.605 -18.508 2.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.167 -19.338 4.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.794 -20.088 2.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.786 -18.865 3.465 1.00 0.00 H new ATOM 530 N ASN A 34 -5.875 -15.690 1.517 1.00 0.00 N ATOM 531 CA ASN A 34 -6.853 -16.365 2.376 1.00 0.00 C ATOM 532 C ASN A 34 -7.378 -15.419 3.467 1.00 0.00 C ATOM 533 O ASN A 34 -7.393 -15.793 4.639 1.00 0.00 O ATOM 534 CB ASN A 34 -6.285 -17.670 2.981 1.00 0.00 C ATOM 535 CG ASN A 34 -6.058 -18.803 1.994 1.00 0.00 C ATOM 536 OD1 ASN A 34 -6.020 -18.625 0.783 1.00 0.00 O ATOM 537 ND2 ASN A 34 -5.836 -19.999 2.500 1.00 0.00 N ATOM 0 H ASN A 34 -6.047 -15.831 0.522 1.00 0.00 H new ATOM 0 HA ASN A 34 -7.697 -16.648 1.748 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.338 -17.441 3.469 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -6.968 -18.018 3.756 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -5.631 -20.784 1.882 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.869 -20.140 3.510 1.00 0.00 H new ATOM 544 N ASN A 35 -7.777 -14.191 3.102 1.00 0.00 N ATOM 545 CA ASN A 35 -8.157 -13.105 4.022 1.00 0.00 C ATOM 546 C ASN A 35 -7.252 -12.949 5.251 1.00 0.00 C ATOM 547 O ASN A 35 -7.707 -12.650 6.364 1.00 0.00 O ATOM 548 CB ASN A 35 -9.628 -13.139 4.437 1.00 0.00 C ATOM 549 CG ASN A 35 -10.051 -14.440 5.105 1.00 0.00 C ATOM 550 OD1 ASN A 35 -10.470 -15.384 4.433 1.00 0.00 O ATOM 551 ND2 ASN A 35 -9.937 -14.534 6.412 1.00 0.00 N ATOM 0 H ASN A 35 -7.847 -13.916 2.122 1.00 0.00 H new ATOM 0 HA ASN A 35 -8.002 -12.213 3.415 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.822 -12.312 5.120 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -10.248 -12.977 3.555 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.197 -15.399 6.886 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.588 -13.742 6.952 1.00 0.00 H new ATOM 558 N ALA A 36 -5.951 -13.079 5.034 1.00 0.00 N ATOM 559 CA ALA A 36 -4.951 -12.774 6.023 1.00 0.00 C ATOM 560 C ALA A 36 -3.782 -12.044 5.360 1.00 0.00 C ATOM 561 O ALA A 36 -3.676 -12.079 4.136 1.00 0.00 O ATOM 562 CB ALA A 36 -4.463 -14.092 6.617 1.00 0.00 C ATOM 0 H ALA A 36 -5.564 -13.405 4.148 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.366 -12.136 6.803 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.702 -13.892 7.372 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.301 -14.616 7.077 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.037 -14.711 5.828 1.00 0.00 H new ATOM 568 N ILE A 37 -2.847 -11.475 6.129 1.00 0.00 N ATOM 569 CA ILE A 37 -1.731 -10.654 5.635 1.00 0.00 C ATOM 570 C ILE A 37 -0.890 -11.350 4.562 1.00 0.00 C ATOM 571 O ILE A 37 -0.352 -10.696 3.674 1.00 0.00 O ATOM 572 CB ILE A 37 -0.867 -10.150 6.836 1.00 0.00 C ATOM 573 CG1 ILE A 37 -1.403 -8.828 7.430 1.00 0.00 C ATOM 574 CG2 ILE A 37 0.622 -9.901 6.503 1.00 0.00 C ATOM 575 CD1 ILE A 37 -2.762 -8.934 8.125 1.00 0.00 C ATOM 0 H ILE A 37 -2.844 -11.575 7.144 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.161 -9.789 5.130 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.942 -10.973 7.547 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.675 -8.448 8.146 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.478 -8.092 6.630 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.141 -9.554 7.396 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.077 -10.829 6.156 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.699 -9.145 5.722 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.052 -7.956 8.508 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.510 -9.280 7.411 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.694 -9.642 8.951 1.00 0.00 H new ATOM 587 N ALA A 38 -0.775 -12.670 4.621 1.00 0.00 N ATOM 588 CA ALA A 38 0.234 -13.494 3.966 1.00 0.00 C ATOM 589 C ALA A 38 1.684 -13.083 4.251 1.00 0.00 C ATOM 590 O ALA A 38 2.457 -13.894 4.762 1.00 0.00 O ATOM 591 CB ALA A 38 -0.026 -13.518 2.463 1.00 0.00 C ATOM 0 H ALA A 38 -1.429 -13.233 5.165 1.00 0.00 H new ATOM 0 HA ALA A 38 0.133 -14.492 4.393 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.728 -14.134 1.973 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.015 -13.934 2.271 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.023 -12.503 2.069 1.00 0.00 H new ATOM 597 N ASP A 39 2.084 -11.877 3.857 1.00 0.00 N ATOM 598 CA ASP A 39 3.476 -11.463 3.712 1.00 0.00 C ATOM 599 C ASP A 39 3.632 -9.949 3.878 1.00 0.00 C ATOM 600 O ASP A 39 2.650 -9.202 3.840 1.00 0.00 O ATOM 601 CB ASP A 39 3.989 -11.878 2.321 1.00 0.00 C ATOM 602 CG ASP A 39 5.373 -12.512 2.426 1.00 0.00 C ATOM 603 OD1 ASP A 39 6.289 -11.838 2.942 1.00 0.00 O ATOM 604 OD2 ASP A 39 5.501 -13.690 2.011 1.00 0.00 O ATOM 0 H ASP A 39 1.424 -11.135 3.622 1.00 0.00 H new ATOM 0 HA ASP A 39 4.058 -11.952 4.493 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.293 -12.584 1.867 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.031 -11.006 1.668 1.00 0.00 H new ATOM 609 N ILE A 40 4.878 -9.506 4.028 1.00 0.00 N ATOM 610 CA ILE A 40 5.309 -8.132 4.259 1.00 0.00 C ATOM 611 C ILE A 40 6.375 -7.786 3.199 1.00 0.00 C ATOM 612 O ILE A 40 7.147 -8.641 2.751 1.00 0.00 O ATOM 613 CB ILE A 40 5.804 -8.032 5.732 1.00 0.00 C ATOM 614 CG1 ILE A 40 4.633 -7.974 6.751 1.00 0.00 C ATOM 615 CG2 ILE A 40 6.810 -6.901 6.001 1.00 0.00 C ATOM 616 CD1 ILE A 40 3.939 -6.611 6.915 1.00 0.00 C ATOM 0 H ILE A 40 5.671 -10.147 3.988 1.00 0.00 H new ATOM 0 HA ILE A 40 4.510 -7.400 4.146 1.00 0.00 H new ATOM 0 HB ILE A 40 6.352 -8.962 5.883 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.883 -8.706 6.452 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.011 -8.285 7.725 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.096 -6.911 7.053 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.696 -7.047 5.382 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.352 -5.942 5.759 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.140 -6.696 7.651 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.665 -5.871 7.251 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.519 -6.299 5.959 1.00 0.00 H new ATOM 628 N SER A 41 6.423 -6.521 2.790 1.00 0.00 N ATOM 629 CA SER A 41 7.452 -5.928 1.947 1.00 0.00 C ATOM 630 C SER A 41 7.615 -4.495 2.442 1.00 0.00 C ATOM 631 O SER A 41 6.766 -3.663 2.119 1.00 0.00 O ATOM 632 CB SER A 41 7.009 -5.974 0.472 1.00 0.00 C ATOM 633 OG SER A 41 8.114 -6.044 -0.409 1.00 0.00 O ATOM 0 H SER A 41 5.704 -5.847 3.054 1.00 0.00 H new ATOM 0 HA SER A 41 8.399 -6.465 2.004 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.363 -6.838 0.314 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.418 -5.088 0.243 1.00 0.00 H new ATOM 0 HG SER A 41 7.793 -6.073 -1.335 1.00 0.00 H new ATOM 639 N VAL A 42 8.601 -4.207 3.291 1.00 0.00 N ATOM 640 CA VAL A 42 8.828 -2.874 3.855 1.00 0.00 C ATOM 641 C VAL A 42 10.036 -2.273 3.144 1.00 0.00 C ATOM 642 O VAL A 42 11.103 -2.058 3.721 1.00 0.00 O ATOM 643 CB VAL A 42 8.914 -2.913 5.394 1.00 0.00 C ATOM 644 CG1 VAL A 42 9.941 -3.933 5.897 1.00 0.00 C ATOM 645 CG2 VAL A 42 9.103 -1.504 6.001 1.00 0.00 C ATOM 0 H VAL A 42 9.275 -4.902 3.612 1.00 0.00 H new ATOM 0 HA VAL A 42 7.981 -2.212 3.675 1.00 0.00 H new ATOM 0 HB VAL A 42 7.949 -3.268 5.757 1.00 0.00 H new ATOM 0 HG11 VAL A 42 9.962 -3.921 6.987 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.664 -4.929 5.551 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.928 -3.676 5.512 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.158 -1.580 7.087 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.025 -1.065 5.621 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.259 -0.872 5.724 1.00 0.00 H new ATOM 655 N GLU A 43 9.878 -2.019 1.852 1.00 0.00 N ATOM 656 CA GLU A 43 11.008 -1.647 1.024 1.00 0.00 C ATOM 657 C GLU A 43 11.161 -0.136 1.069 1.00 0.00 C ATOM 658 O GLU A 43 10.182 0.605 1.243 1.00 0.00 O ATOM 659 CB GLU A 43 10.827 -2.176 -0.400 1.00 0.00 C ATOM 660 CG GLU A 43 10.530 -3.677 -0.464 1.00 0.00 C ATOM 661 CD GLU A 43 11.675 -4.533 0.081 1.00 0.00 C ATOM 662 OE1 GLU A 43 11.892 -4.580 1.311 1.00 0.00 O ATOM 663 OE2 GLU A 43 12.352 -5.209 -0.728 1.00 0.00 O ATOM 0 H GLU A 43 8.985 -2.064 1.361 1.00 0.00 H new ATOM 0 HA GLU A 43 11.925 -2.098 1.403 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.013 -1.632 -0.880 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.730 -1.968 -0.973 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.623 -3.888 0.103 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.332 -3.960 -1.498 1.00 0.00 H new ATOM 670 N GLU A 44 12.396 0.315 0.919 1.00 0.00 N ATOM 671 CA GLU A 44 12.778 1.716 0.907 1.00 0.00 C ATOM 672 C GLU A 44 12.205 2.317 -0.387 1.00 0.00 C ATOM 673 O GLU A 44 12.100 1.624 -1.405 1.00 0.00 O ATOM 674 CB GLU A 44 14.319 1.797 0.979 1.00 0.00 C ATOM 675 CG GLU A 44 14.820 1.148 2.289 1.00 0.00 C ATOM 676 CD GLU A 44 16.334 0.993 2.424 1.00 0.00 C ATOM 677 OE1 GLU A 44 17.070 2.005 2.336 1.00 0.00 O ATOM 678 OE2 GLU A 44 16.778 -0.150 2.693 1.00 0.00 O ATOM 0 H GLU A 44 13.192 -0.312 0.797 1.00 0.00 H new ATOM 0 HA GLU A 44 12.388 2.278 1.755 1.00 0.00 H new ATOM 0 HB2 GLU A 44 14.759 1.290 0.120 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.640 2.838 0.933 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.460 1.744 3.127 1.00 0.00 H new ATOM 0 HG3 GLU A 44 14.364 0.162 2.380 1.00 0.00 H new ATOM 685 N ASN A 45 11.839 3.597 -0.390 1.00 0.00 N ATOM 686 CA ASN A 45 11.345 4.250 -1.601 1.00 0.00 C ATOM 687 C ASN A 45 12.552 4.634 -2.468 1.00 0.00 C ATOM 688 O ASN A 45 13.399 5.371 -1.970 1.00 0.00 O ATOM 689 CB ASN A 45 10.530 5.490 -1.206 1.00 0.00 C ATOM 690 CG ASN A 45 9.948 6.266 -2.379 1.00 0.00 C ATOM 691 OD1 ASN A 45 10.256 6.041 -3.544 1.00 0.00 O ATOM 692 ND2 ASN A 45 9.088 7.224 -2.087 1.00 0.00 N ATOM 0 H ASN A 45 11.875 4.202 0.431 1.00 0.00 H new ATOM 0 HA ASN A 45 10.697 3.583 -2.170 1.00 0.00 H new ATOM 0 HB2 ASN A 45 9.715 5.180 -0.552 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.167 6.158 -0.626 1.00 0.00 H new ATOM 0 HD21 ASN A 45 8.675 7.783 -2.833 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.837 7.405 -1.115 1.00 0.00 H new ATOM 699 N PRO A 46 12.681 4.186 -3.732 1.00 0.00 N ATOM 700 CA PRO A 46 13.808 4.552 -4.591 1.00 0.00 C ATOM 701 C PRO A 46 13.856 6.030 -4.993 1.00 0.00 C ATOM 702 O PRO A 46 14.877 6.466 -5.524 1.00 0.00 O ATOM 703 CB PRO A 46 13.692 3.659 -5.825 1.00 0.00 C ATOM 704 CG PRO A 46 12.220 3.257 -5.862 1.00 0.00 C ATOM 705 CD PRO A 46 11.811 3.232 -4.396 1.00 0.00 C ATOM 0 HA PRO A 46 14.737 4.404 -4.040 1.00 0.00 H new ATOM 0 HB2 PRO A 46 13.982 4.192 -6.731 1.00 0.00 H new ATOM 0 HB3 PRO A 46 14.341 2.787 -5.747 1.00 0.00 H new ATOM 0 HG2 PRO A 46 11.625 3.971 -6.431 1.00 0.00 H new ATOM 0 HG3 PRO A 46 12.083 2.283 -6.332 1.00 0.00 H new ATOM 0 HD2 PRO A 46 10.763 3.508 -4.277 1.00 0.00 H new ATOM 0 HD3 PRO A 46 11.928 2.234 -3.973 1.00 0.00 H new ATOM 713 N LEU A 47 12.775 6.787 -4.779 1.00 0.00 N ATOM 714 CA LEU A 47 12.640 8.194 -5.143 1.00 0.00 C ATOM 715 C LEU A 47 12.035 8.952 -3.949 1.00 0.00 C ATOM 716 O LEU A 47 11.195 9.837 -4.145 1.00 0.00 O ATOM 717 CB LEU A 47 11.704 8.326 -6.371 1.00 0.00 C ATOM 718 CG LEU A 47 12.105 7.887 -7.783 1.00 0.00 C ATOM 719 CD1 LEU A 47 13.463 8.439 -8.188 1.00 0.00 C ATOM 720 CD2 LEU A 47 12.022 6.385 -8.050 1.00 0.00 C ATOM 0 H LEU A 47 11.938 6.417 -4.329 1.00 0.00 H new ATOM 0 HA LEU A 47 13.616 8.610 -5.394 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.794 7.779 -6.125 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.434 9.380 -6.441 1.00 0.00 H new ATOM 0 HG LEU A 47 11.340 8.330 -8.421 1.00 0.00 H new ATOM 0 HD11 LEU A 47 13.707 8.103 -9.196 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.434 9.528 -8.166 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.223 8.082 -7.493 1.00 0.00 H new ATOM 0 HD21 LEU A 47 12.326 6.181 -9.076 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.683 5.856 -7.363 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.997 6.045 -7.901 1.00 0.00 H new ATOM 732 N ALA A 48 12.428 8.654 -2.705 1.00 0.00 N ATOM 733 CA ALA A 48 11.893 9.329 -1.521 1.00 0.00 C ATOM 734 C ALA A 48 12.061 10.843 -1.632 1.00 0.00 C ATOM 735 O ALA A 48 11.179 11.597 -1.207 1.00 0.00 O ATOM 736 CB ALA A 48 12.618 8.856 -0.258 1.00 0.00 C ATOM 0 H ALA A 48 13.124 7.939 -2.493 1.00 0.00 H new ATOM 0 HA ALA A 48 10.833 9.082 -1.458 1.00 0.00 H new ATOM 0 HB1 ALA A 48 12.207 9.369 0.611 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.483 7.781 -0.142 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.681 9.081 -0.343 1.00 0.00 H new ATOM 742 N GLN A 49 13.173 11.303 -2.210 1.00 0.00 N ATOM 743 CA GLN A 49 13.576 12.696 -2.147 1.00 0.00 C ATOM 744 C GLN A 49 14.177 13.207 -3.461 1.00 0.00 C ATOM 745 O GLN A 49 14.566 14.371 -3.527 1.00 0.00 O ATOM 746 CB GLN A 49 14.524 12.863 -0.947 1.00 0.00 C ATOM 747 CG GLN A 49 14.225 14.135 -0.138 1.00 0.00 C ATOM 748 CD GLN A 49 15.002 14.199 1.178 1.00 0.00 C ATOM 749 OE1 GLN A 49 15.775 13.313 1.520 1.00 0.00 O ATOM 750 NE2 GLN A 49 14.804 15.242 1.964 1.00 0.00 N ATOM 0 H GLN A 49 13.817 10.711 -2.735 1.00 0.00 H new ATOM 0 HA GLN A 49 12.695 13.320 -2.001 1.00 0.00 H new ATOM 0 HB2 GLN A 49 14.439 11.993 -0.296 1.00 0.00 H new ATOM 0 HB3 GLN A 49 15.554 12.895 -1.303 1.00 0.00 H new ATOM 0 HG2 GLN A 49 14.469 15.009 -0.741 1.00 0.00 H new ATOM 0 HG3 GLN A 49 13.157 14.182 0.074 1.00 0.00 H new ATOM 0 HE21 GLN A 49 14.160 15.980 1.679 1.00 0.00 H new ATOM 0 HE22 GLN A 49 15.295 15.309 2.856 1.00 0.00 H new ATOM 759 N ASP A 50 14.225 12.393 -4.522 1.00 0.00 N ATOM 760 CA ASP A 50 15.178 12.575 -5.621 1.00 0.00 C ATOM 761 C ASP A 50 14.464 12.592 -6.968 1.00 0.00 C ATOM 762 O ASP A 50 13.363 12.031 -7.086 1.00 0.00 O ATOM 763 CB ASP A 50 16.219 11.454 -5.602 1.00 0.00 C ATOM 764 CG ASP A 50 17.511 11.937 -6.253 1.00 0.00 C ATOM 765 OD1 ASP A 50 17.606 11.921 -7.499 1.00 0.00 O ATOM 766 OD2 ASP A 50 18.393 12.428 -5.513 1.00 0.00 O ATOM 0 H ASP A 50 13.605 11.592 -4.642 1.00 0.00 H new ATOM 0 HA ASP A 50 15.675 13.535 -5.483 1.00 0.00 H new ATOM 0 HB2 ASP A 50 16.413 11.143 -4.576 1.00 0.00 H new ATOM 0 HB3 ASP A 50 15.837 10.582 -6.133 1.00 0.00 H new ATOM 771 N HIS A 51 15.061 13.253 -7.969 1.00 0.00 N ATOM 772 CA HIS A 51 14.496 13.745 -9.238 1.00 0.00 C ATOM 773 C HIS A 51 13.251 14.635 -9.080 1.00 0.00 C ATOM 774 O HIS A 51 12.989 15.424 -9.985 1.00 0.00 O ATOM 775 CB HIS A 51 14.170 12.586 -10.211 1.00 0.00 C ATOM 776 CG HIS A 51 15.269 12.079 -11.113 1.00 0.00 C ATOM 777 ND1 HIS A 51 15.105 11.707 -12.440 1.00 0.00 N ATOM 778 CD2 HIS A 51 16.533 11.729 -10.729 1.00 0.00 C ATOM 779 CE1 HIS A 51 16.253 11.118 -12.831 1.00 0.00 C ATOM 780 NE2 HIS A 51 17.142 11.132 -11.816 1.00 0.00 N ATOM 0 H HIS A 51 16.053 13.481 -7.906 1.00 0.00 H new ATOM 0 HA HIS A 51 15.286 14.371 -9.654 1.00 0.00 H new ATOM 0 HB2 HIS A 51 13.812 11.745 -9.618 1.00 0.00 H new ATOM 0 HB3 HIS A 51 13.342 12.906 -10.843 1.00 0.00 H new ATOM 0 HD2 HIS A 51 16.974 11.889 -9.756 1.00 0.00 H new ATOM 0 HE1 HIS A 51 16.434 10.698 -13.809 1.00 0.00 H new ATOM 0 HE2 HIS A 51 18.094 10.767 -11.846 1.00 0.00 H new ATOM 789 N VAL A 52 12.435 14.407 -8.048 1.00 0.00 N ATOM 790 CA VAL A 52 11.041 14.753 -7.747 1.00 0.00 C ATOM 791 C VAL A 52 10.046 14.748 -8.931 1.00 0.00 C ATOM 792 O VAL A 52 8.868 15.062 -8.761 1.00 0.00 O ATOM 793 CB VAL A 52 10.944 16.012 -6.866 1.00 0.00 C ATOM 794 CG1 VAL A 52 11.735 15.834 -5.562 1.00 0.00 C ATOM 795 CG2 VAL A 52 11.387 17.282 -7.590 1.00 0.00 C ATOM 0 H VAL A 52 12.811 13.877 -7.262 1.00 0.00 H new ATOM 0 HA VAL A 52 10.684 13.905 -7.163 1.00 0.00 H new ATOM 0 HB VAL A 52 9.888 16.136 -6.626 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.650 16.738 -4.958 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.334 14.987 -5.006 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.784 15.651 -5.795 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.296 18.135 -6.917 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.425 17.178 -7.905 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.756 17.441 -8.465 1.00 0.00 H new ATOM 805 N HIS A 53 10.481 14.357 -10.130 1.00 0.00 N ATOM 806 CA HIS A 53 9.742 14.410 -11.386 1.00 0.00 C ATOM 807 C HIS A 53 8.469 13.559 -11.349 1.00 0.00 C ATOM 808 O HIS A 53 7.575 13.760 -12.175 1.00 0.00 O ATOM 809 CB HIS A 53 10.680 13.921 -12.514 1.00 0.00 C ATOM 810 CG HIS A 53 10.656 14.694 -13.814 1.00 0.00 C ATOM 811 ND1 HIS A 53 11.658 14.633 -14.770 1.00 0.00 N ATOM 812 CD2 HIS A 53 9.699 15.574 -14.251 1.00 0.00 C ATOM 813 CE1 HIS A 53 11.316 15.467 -15.771 1.00 0.00 C ATOM 814 NE2 HIS A 53 10.127 16.038 -15.483 1.00 0.00 N ATOM 0 H HIS A 53 11.417 13.971 -10.254 1.00 0.00 H new ATOM 0 HA HIS A 53 9.423 15.437 -11.562 1.00 0.00 H new ATOM 0 HB2 HIS A 53 11.701 13.932 -12.133 1.00 0.00 H new ATOM 0 HB3 HIS A 53 10.432 12.882 -12.733 1.00 0.00 H new ATOM 0 HD2 HIS A 53 8.791 15.850 -13.736 1.00 0.00 H new ATOM 0 HE1 HIS A 53 11.899 15.650 -16.661 1.00 0.00 H new ATOM 0 HE2 HIS A 53 9.627 16.701 -16.075 1.00 0.00 H new ATOM 823 N GLY A 54 8.402 12.579 -10.448 1.00 0.00 N ATOM 824 CA GLY A 54 7.368 11.568 -10.411 1.00 0.00 C ATOM 825 C GLY A 54 7.839 10.328 -11.153 1.00 0.00 C ATOM 826 O GLY A 54 7.272 9.987 -12.188 1.00 0.00 O ATOM 0 H GLY A 54 9.092 12.471 -9.704 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.128 11.317 -9.378 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.455 11.951 -10.866 1.00 0.00 H new ATOM 830 N ALA A 55 8.863 9.649 -10.626 1.00 0.00 N ATOM 831 CA ALA A 55 9.068 8.220 -10.868 1.00 0.00 C ATOM 832 C ALA A 55 8.699 7.393 -9.637 1.00 0.00 C ATOM 833 O ALA A 55 8.633 6.173 -9.747 1.00 0.00 O ATOM 834 CB ALA A 55 10.503 7.909 -11.293 1.00 0.00 C ATOM 0 H ALA A 55 9.568 10.073 -10.023 1.00 0.00 H new ATOM 0 HA ALA A 55 8.407 7.945 -11.690 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.608 6.837 -11.462 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.734 8.446 -12.213 1.00 0.00 H new ATOM 0 HB3 ALA A 55 11.191 8.222 -10.508 1.00 0.00 H new ATOM 840 N VAL A 56 8.381 8.031 -8.500 1.00 0.00 N ATOM 841 CA VAL A 56 7.856 7.356 -7.315 1.00 0.00 C ATOM 842 C VAL A 56 6.765 6.341 -7.725 1.00 0.00 C ATOM 843 O VAL A 56 6.868 5.177 -7.341 1.00 0.00 O ATOM 844 CB VAL A 56 7.332 8.402 -6.288 1.00 0.00 C ATOM 845 CG1 VAL A 56 6.116 7.962 -5.460 1.00 0.00 C ATOM 846 CG2 VAL A 56 8.442 8.845 -5.347 1.00 0.00 C ATOM 0 H VAL A 56 8.484 9.039 -8.382 1.00 0.00 H new ATOM 0 HA VAL A 56 8.655 6.798 -6.828 1.00 0.00 H new ATOM 0 HB VAL A 56 6.991 9.232 -6.907 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.832 8.762 -4.777 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.282 7.741 -6.127 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.369 7.069 -4.888 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.049 9.576 -4.640 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.824 7.981 -4.802 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.250 9.296 -5.924 1.00 0.00 H new ATOM 856 N PRO A 57 5.720 6.729 -8.494 1.00 0.00 N ATOM 857 CA PRO A 57 4.666 5.795 -8.849 1.00 0.00 C ATOM 858 C PRO A 57 5.080 4.806 -9.931 1.00 0.00 C ATOM 859 O PRO A 57 4.533 3.711 -9.966 1.00 0.00 O ATOM 860 CB PRO A 57 3.504 6.633 -9.345 1.00 0.00 C ATOM 861 CG PRO A 57 3.997 8.063 -9.496 1.00 0.00 C ATOM 862 CD PRO A 57 5.472 8.025 -9.119 1.00 0.00 C ATOM 0 HA PRO A 57 4.412 5.194 -7.976 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.137 6.252 -10.298 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.672 6.587 -8.642 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.862 8.419 -10.517 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.443 8.740 -8.846 1.00 0.00 H new ATOM 0 HD2 PRO A 57 6.099 8.154 -10.001 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.716 8.837 -8.433 1.00 0.00 H new ATOM 870 N ASN A 58 6.022 5.178 -10.804 1.00 0.00 N ATOM 871 CA ASN A 58 6.534 4.304 -11.854 1.00 0.00 C ATOM 872 C ASN A 58 7.060 3.013 -11.218 1.00 0.00 C ATOM 873 O ASN A 58 6.695 1.919 -11.660 1.00 0.00 O ATOM 874 CB ASN A 58 7.599 5.048 -12.681 1.00 0.00 C ATOM 875 CG ASN A 58 8.051 4.238 -13.887 1.00 0.00 C ATOM 876 OD1 ASN A 58 8.545 3.127 -13.752 1.00 0.00 O ATOM 877 ND2 ASN A 58 7.951 4.778 -15.089 1.00 0.00 N ATOM 0 H ASN A 58 6.451 6.103 -10.798 1.00 0.00 H new ATOM 0 HA ASN A 58 5.740 4.026 -12.548 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.196 6.003 -13.016 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.459 5.269 -12.049 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.286 4.268 -15.907 1.00 0.00 H new ATOM 0 HD22 ASN A 58 7.539 5.704 -15.199 1.00 0.00 H new ATOM 884 N PHE A 59 7.823 3.166 -10.127 1.00 0.00 N ATOM 885 CA PHE A 59 8.257 2.073 -9.275 1.00 0.00 C ATOM 886 C PHE A 59 7.054 1.312 -8.703 1.00 0.00 C ATOM 887 O PHE A 59 6.871 0.153 -9.059 1.00 0.00 O ATOM 888 CB PHE A 59 9.204 2.609 -8.192 1.00 0.00 C ATOM 889 CG PHE A 59 9.381 1.684 -7.004 1.00 0.00 C ATOM 890 CD1 PHE A 59 10.121 0.492 -7.125 1.00 0.00 C ATOM 891 CD2 PHE A 59 8.786 2.014 -5.773 1.00 0.00 C ATOM 892 CE1 PHE A 59 10.288 -0.349 -6.008 1.00 0.00 C ATOM 893 CE2 PHE A 59 8.927 1.148 -4.676 1.00 0.00 C ATOM 894 CZ PHE A 59 9.688 -0.024 -4.781 1.00 0.00 C ATOM 0 H PHE A 59 8.158 4.077 -9.814 1.00 0.00 H new ATOM 0 HA PHE A 59 8.816 1.346 -9.865 1.00 0.00 H new ATOM 0 HB2 PHE A 59 10.180 2.797 -8.640 1.00 0.00 H new ATOM 0 HB3 PHE A 59 8.826 3.568 -7.838 1.00 0.00 H new ATOM 0 HD1 PHE A 59 10.560 0.223 -8.074 1.00 0.00 H new ATOM 0 HD2 PHE A 59 8.223 2.930 -5.672 1.00 0.00 H new ATOM 0 HE1 PHE A 59 10.880 -1.248 -6.096 1.00 0.00 H new ATOM 0 HE2 PHE A 59 8.443 1.388 -3.741 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.812 -0.672 -3.926 1.00 0.00 H new ATOM 904 N VAL A 60 6.217 1.900 -7.834 1.00 0.00 N ATOM 905 CA VAL A 60 5.181 1.107 -7.148 1.00 0.00 C ATOM 906 C VAL A 60 4.172 0.455 -8.115 1.00 0.00 C ATOM 907 O VAL A 60 3.534 -0.535 -7.759 1.00 0.00 O ATOM 908 CB VAL A 60 4.462 1.900 -6.036 1.00 0.00 C ATOM 909 CG1 VAL A 60 5.325 2.055 -4.767 1.00 0.00 C ATOM 910 CG2 VAL A 60 4.008 3.295 -6.440 1.00 0.00 C ATOM 0 H VAL A 60 6.233 2.891 -7.593 1.00 0.00 H new ATOM 0 HA VAL A 60 5.721 0.292 -6.666 1.00 0.00 H new ATOM 0 HB VAL A 60 3.581 1.290 -5.838 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.771 2.620 -4.017 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.570 1.069 -4.371 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.245 2.585 -5.015 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.514 3.776 -5.596 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.873 3.887 -6.739 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.311 3.223 -7.275 1.00 0.00 H new ATOM 920 N LYS A 61 4.012 0.965 -9.335 1.00 0.00 N ATOM 921 CA LYS A 61 3.191 0.368 -10.389 1.00 0.00 C ATOM 922 C LYS A 61 3.807 -0.920 -10.942 1.00 0.00 C ATOM 923 O LYS A 61 3.072 -1.778 -11.424 1.00 0.00 O ATOM 924 CB LYS A 61 2.927 1.438 -11.480 1.00 0.00 C ATOM 925 CG LYS A 61 1.836 1.087 -12.513 1.00 0.00 C ATOM 926 CD LYS A 61 2.273 1.287 -13.970 1.00 0.00 C ATOM 927 CE LYS A 61 1.409 0.388 -14.861 1.00 0.00 C ATOM 928 NZ LYS A 61 1.661 0.576 -16.301 1.00 0.00 N ATOM 0 H LYS A 61 4.464 1.832 -9.627 1.00 0.00 H new ATOM 0 HA LYS A 61 2.233 0.058 -9.973 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.649 2.370 -10.988 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.859 1.624 -12.013 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.537 0.048 -12.373 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.956 1.701 -12.320 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.159 2.331 -14.260 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.327 1.037 -14.088 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.593 -0.654 -14.600 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.357 0.587 -14.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.046 -0.060 -16.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.459 1.562 -16.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.656 0.359 -16.510 1.00 0.00 H new ATOM 942 N GLU A 62 5.120 -1.122 -10.834 1.00 0.00 N ATOM 943 CA GLU A 62 5.722 -2.422 -11.120 1.00 0.00 C ATOM 944 C GLU A 62 5.565 -3.401 -9.948 1.00 0.00 C ATOM 945 O GLU A 62 5.649 -4.610 -10.158 1.00 0.00 O ATOM 946 CB GLU A 62 7.170 -2.276 -11.615 1.00 0.00 C ATOM 947 CG GLU A 62 8.315 -2.455 -10.605 1.00 0.00 C ATOM 948 CD GLU A 62 9.617 -2.598 -11.385 1.00 0.00 C ATOM 949 OE1 GLU A 62 10.140 -1.597 -11.902 1.00 0.00 O ATOM 950 OE2 GLU A 62 10.046 -3.754 -11.640 1.00 0.00 O ATOM 0 H GLU A 62 5.785 -0.403 -10.551 1.00 0.00 H new ATOM 0 HA GLU A 62 5.169 -2.871 -11.945 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.320 -2.999 -12.417 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.270 -1.285 -12.057 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.366 -1.599 -9.932 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.143 -3.336 -9.987 1.00 0.00 H new ATOM 957 N LYS A 63 5.284 -2.922 -8.730 1.00 0.00 N ATOM 958 CA LYS A 63 5.226 -3.738 -7.508 1.00 0.00 C ATOM 959 C LYS A 63 3.843 -4.366 -7.331 1.00 0.00 C ATOM 960 O LYS A 63 3.309 -4.439 -6.228 1.00 0.00 O ATOM 961 CB LYS A 63 5.623 -2.886 -6.285 1.00 0.00 C ATOM 962 CG LYS A 63 7.005 -2.214 -6.395 1.00 0.00 C ATOM 963 CD LYS A 63 8.192 -3.185 -6.415 1.00 0.00 C ATOM 964 CE LYS A 63 8.599 -3.564 -4.981 1.00 0.00 C ATOM 965 NZ LYS A 63 9.566 -4.684 -4.934 1.00 0.00 N ATOM 0 H LYS A 63 5.086 -1.936 -8.561 1.00 0.00 H new ATOM 0 HA LYS A 63 5.940 -4.557 -7.599 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.868 -2.114 -6.136 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.611 -3.519 -5.398 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.030 -1.613 -7.304 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.128 -1.529 -5.556 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.926 -4.082 -6.974 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.036 -2.727 -6.930 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.035 -2.694 -4.490 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.708 -3.836 -4.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.804 -4.896 -3.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.144 -5.525 -5.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.430 -4.419 -5.449 1.00 0.00 H new ATOM 979 N GLY A 64 3.258 -4.808 -8.441 1.00 0.00 N ATOM 980 CA GLY A 64 2.164 -5.767 -8.482 1.00 0.00 C ATOM 981 C GLY A 64 0.877 -5.367 -7.758 1.00 0.00 C ATOM 982 O GLY A 64 0.091 -6.247 -7.409 1.00 0.00 O ATOM 0 H GLY A 64 3.545 -4.495 -9.369 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.921 -5.963 -9.526 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.517 -6.706 -8.056 1.00 0.00 H new ATOM 986 N ALA A 65 0.689 -4.087 -7.438 1.00 0.00 N ATOM 987 CA ALA A 65 -0.272 -3.692 -6.425 1.00 0.00 C ATOM 988 C ALA A 65 -1.734 -3.780 -6.867 1.00 0.00 C ATOM 989 O ALA A 65 -2.048 -3.780 -8.055 1.00 0.00 O ATOM 990 CB ALA A 65 0.063 -2.274 -6.000 1.00 0.00 C ATOM 0 H ALA A 65 1.192 -3.311 -7.869 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.187 -4.398 -5.599 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.643 -1.946 -5.237 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.074 -2.245 -5.595 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.001 -1.611 -6.863 1.00 0.00 H new ATOM 996 N GLU A 66 -2.634 -3.714 -5.880 1.00 0.00 N ATOM 997 CA GLU A 66 -4.078 -3.637 -6.070 1.00 0.00 C ATOM 998 C GLU A 66 -4.692 -2.567 -5.184 1.00 0.00 C ATOM 999 O GLU A 66 -5.683 -1.951 -5.582 1.00 0.00 O ATOM 1000 CB GLU A 66 -4.730 -4.979 -5.724 1.00 0.00 C ATOM 1001 CG GLU A 66 -4.740 -5.926 -6.924 1.00 0.00 C ATOM 1002 CD GLU A 66 -4.282 -7.317 -6.504 1.00 0.00 C ATOM 1003 OE1 GLU A 66 -3.104 -7.473 -6.102 1.00 0.00 O ATOM 1004 OE2 GLU A 66 -5.113 -8.245 -6.408 1.00 0.00 O ATOM 0 H GLU A 66 -2.364 -3.713 -4.896 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.256 -3.387 -7.116 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.192 -5.443 -4.898 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.752 -4.811 -5.384 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.744 -5.978 -7.346 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.085 -5.541 -7.705 1.00 0.00 H new ATOM 1011 N LEU A 67 -4.143 -2.370 -3.986 1.00 0.00 N ATOM 1012 CA LEU A 67 -4.727 -1.524 -2.967 1.00 0.00 C ATOM 1013 C LEU A 67 -3.615 -0.698 -2.330 1.00 0.00 C ATOM 1014 O LEU A 67 -2.441 -1.081 -2.349 1.00 0.00 O ATOM 1015 CB LEU A 67 -5.482 -2.446 -1.989 1.00 0.00 C ATOM 1016 CG LEU A 67 -6.520 -1.838 -1.025 1.00 0.00 C ATOM 1017 CD1 LEU A 67 -5.927 -1.082 0.158 1.00 0.00 C ATOM 1018 CD2 LEU A 67 -7.570 -0.978 -1.726 1.00 0.00 C ATOM 0 H LEU A 67 -3.266 -2.805 -3.700 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.448 -0.806 -3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.992 -3.205 -2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.736 -2.962 -1.384 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.017 -2.718 -0.617 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.732 -0.690 0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.308 -1.758 0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.316 -0.256 -0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.268 -0.582 -0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.079 -0.152 -2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.113 -1.585 -2.450 1.00 0.00 H new ATOM 1030 N VAL A 68 -3.971 0.457 -1.791 1.00 0.00 N ATOM 1031 CA VAL A 68 -3.065 1.430 -1.195 1.00 0.00 C ATOM 1032 C VAL A 68 -3.875 2.112 -0.098 1.00 0.00 C ATOM 1033 O VAL A 68 -5.063 2.355 -0.302 1.00 0.00 O ATOM 1034 CB VAL A 68 -2.610 2.468 -2.251 1.00 0.00 C ATOM 1035 CG1 VAL A 68 -1.358 3.227 -1.789 1.00 0.00 C ATOM 1036 CG2 VAL A 68 -2.313 1.884 -3.641 1.00 0.00 C ATOM 0 H VAL A 68 -4.945 0.757 -1.755 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.163 0.958 -0.805 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.467 3.134 -2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.066 3.947 -2.554 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.574 3.753 -0.859 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.544 2.521 -1.626 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.002 2.684 -4.313 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.515 1.145 -3.562 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.211 1.408 -4.035 1.00 0.00 H new ATOM 1046 N ILE A 69 -3.275 2.429 1.045 1.00 0.00 N ATOM 1047 CA ILE A 69 -3.933 3.052 2.182 1.00 0.00 C ATOM 1048 C ILE A 69 -3.016 4.191 2.610 1.00 0.00 C ATOM 1049 O ILE A 69 -1.895 3.947 3.051 1.00 0.00 O ATOM 1050 CB ILE A 69 -4.187 2.025 3.308 1.00 0.00 C ATOM 1051 CG1 ILE A 69 -4.991 0.794 2.829 1.00 0.00 C ATOM 1052 CG2 ILE A 69 -4.916 2.734 4.455 1.00 0.00 C ATOM 1053 CD1 ILE A 69 -5.103 -0.339 3.857 1.00 0.00 C ATOM 0 H ILE A 69 -2.284 2.252 1.208 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.921 3.436 1.929 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.224 1.641 3.644 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -5.995 1.117 2.554 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.524 0.402 1.926 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.104 2.024 5.260 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.299 3.551 4.828 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.864 3.132 4.093 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.683 -1.159 3.433 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.106 -0.696 4.115 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.600 0.031 4.754 1.00 0.00 H new ATOM 1065 N VAL A 70 -3.456 5.435 2.416 1.00 0.00 N ATOM 1066 CA VAL A 70 -2.619 6.617 2.593 1.00 0.00 C ATOM 1067 C VAL A 70 -3.316 7.641 3.497 1.00 0.00 C ATOM 1068 O VAL A 70 -4.424 7.414 3.993 1.00 0.00 O ATOM 1069 CB VAL A 70 -2.208 7.172 1.208 1.00 0.00 C ATOM 1070 CG1 VAL A 70 -1.635 6.094 0.275 1.00 0.00 C ATOM 1071 CG2 VAL A 70 -3.366 7.830 0.454 1.00 0.00 C ATOM 0 H VAL A 70 -4.411 5.650 2.129 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.696 6.355 3.110 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.445 7.912 1.449 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.366 6.545 -0.680 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.749 5.652 0.731 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.384 5.319 0.112 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.011 8.198 -0.509 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.158 7.098 0.293 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.755 8.663 1.040 1.00 0.00 H new ATOM 1081 N ARG A 71 -2.672 8.792 3.718 1.00 0.00 N ATOM 1082 CA ARG A 71 -3.295 9.936 4.376 1.00 0.00 C ATOM 1083 C ARG A 71 -3.405 11.069 3.359 1.00 0.00 C ATOM 1084 O ARG A 71 -4.226 10.999 2.449 1.00 0.00 O ATOM 1085 CB ARG A 71 -2.510 10.305 5.655 1.00 0.00 C ATOM 1086 CG ARG A 71 -2.477 9.159 6.668 1.00 0.00 C ATOM 1087 CD ARG A 71 -2.193 9.606 8.100 1.00 0.00 C ATOM 1088 NE ARG A 71 -3.354 10.318 8.666 1.00 0.00 N ATOM 1089 CZ ARG A 71 -3.455 11.601 9.021 1.00 0.00 C ATOM 1090 NH1 ARG A 71 -2.366 12.348 9.153 1.00 0.00 N ATOM 1091 NH2 ARG A 71 -4.653 12.135 9.216 1.00 0.00 N ATOM 0 H ARG A 71 -1.703 8.953 3.444 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.305 9.705 4.715 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.490 10.578 5.386 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.964 11.182 6.117 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.434 8.638 6.644 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.715 8.441 6.364 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.957 8.739 8.716 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.318 10.256 8.116 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.193 9.754 8.805 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.446 11.942 8.983 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.449 13.328 9.424 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.491 11.566 9.095 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.737 13.115 9.487 1.00 0.00 H new ATOM 1105 N GLY A 72 -2.494 12.035 3.417 1.00 0.00 N ATOM 1106 CA GLY A 72 -2.505 13.261 2.632 1.00 0.00 C ATOM 1107 C GLY A 72 -1.638 13.135 1.396 1.00 0.00 C ATOM 1108 O GLY A 72 -0.640 13.837 1.226 1.00 0.00 O ATOM 0 H GLY A 72 -1.690 11.980 4.043 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.528 13.497 2.338 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.150 14.090 3.244 1.00 0.00 H new ATOM 1112 N ILE A 73 -2.012 12.203 0.531 1.00 0.00 N ATOM 1113 CA ILE A 73 -1.460 12.019 -0.804 1.00 0.00 C ATOM 1114 C ILE A 73 -1.668 13.290 -1.672 1.00 0.00 C ATOM 1115 O ILE A 73 -2.325 14.256 -1.259 1.00 0.00 O ATOM 1116 CB ILE A 73 -2.077 10.709 -1.365 1.00 0.00 C ATOM 1117 CG1 ILE A 73 -1.558 10.311 -2.759 1.00 0.00 C ATOM 1118 CG2 ILE A 73 -3.620 10.728 -1.387 1.00 0.00 C ATOM 1119 CD1 ILE A 73 -1.651 8.807 -3.026 1.00 0.00 C ATOM 0 H ILE A 73 -2.741 11.524 0.750 1.00 0.00 H new ATOM 0 HA ILE A 73 -0.377 11.899 -0.800 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.740 9.952 -0.657 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.129 10.845 -3.519 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.520 10.628 -2.858 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.990 9.785 -1.789 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.997 10.862 -0.373 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.965 11.550 -2.014 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.270 8.590 -4.024 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.058 8.269 -2.287 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.691 8.489 -2.958 1.00 0.00 H new ATOM 1131 N GLY A 74 -1.074 13.316 -2.868 1.00 0.00 N ATOM 1132 CA GLY A 74 -1.257 14.349 -3.877 1.00 0.00 C ATOM 1133 C GLY A 74 -1.903 13.735 -5.115 1.00 0.00 C ATOM 1134 O GLY A 74 -1.732 12.544 -5.392 1.00 0.00 O ATOM 0 H GLY A 74 -0.427 12.586 -3.167 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.884 15.150 -3.485 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -0.297 14.794 -4.137 1.00 0.00 H new ATOM 1138 N ARG A 75 -2.641 14.541 -5.880 1.00 0.00 N ATOM 1139 CA ARG A 75 -3.344 14.131 -7.093 1.00 0.00 C ATOM 1140 C ARG A 75 -2.443 13.372 -8.058 1.00 0.00 C ATOM 1141 O ARG A 75 -2.865 12.364 -8.619 1.00 0.00 O ATOM 1142 CB ARG A 75 -3.931 15.383 -7.768 1.00 0.00 C ATOM 1143 CG ARG A 75 -4.657 15.072 -9.087 1.00 0.00 C ATOM 1144 CD ARG A 75 -5.926 14.240 -8.858 1.00 0.00 C ATOM 1145 NE ARG A 75 -7.119 15.056 -9.126 1.00 0.00 N ATOM 1146 CZ ARG A 75 -7.630 15.299 -10.336 1.00 0.00 C ATOM 1147 NH1 ARG A 75 -7.121 14.719 -11.418 1.00 0.00 N ATOM 1148 NH2 ARG A 75 -8.639 16.149 -10.477 1.00 0.00 N ATOM 0 H ARG A 75 -2.769 15.530 -5.664 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.142 13.443 -6.814 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.627 15.866 -7.082 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.128 16.095 -7.961 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.919 16.005 -9.586 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.984 14.532 -9.754 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.920 13.366 -9.509 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.950 13.873 -7.832 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.595 15.470 -8.324 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.331 14.080 -11.330 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.520 14.913 -12.336 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.027 16.620 -9.660 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.026 16.332 -11.403 1.00 0.00 H new ATOM 1162 N ARG A 76 -1.203 13.830 -8.247 1.00 0.00 N ATOM 1163 CA ARG A 76 -0.265 13.204 -9.179 1.00 0.00 C ATOM 1164 C ARG A 76 -0.024 11.729 -8.879 1.00 0.00 C ATOM 1165 O ARG A 76 0.392 11.002 -9.778 1.00 0.00 O ATOM 1166 CB ARG A 76 1.048 13.982 -9.203 1.00 0.00 C ATOM 1167 CG ARG A 76 1.780 13.882 -7.861 1.00 0.00 C ATOM 1168 CD ARG A 76 2.799 15.002 -7.768 1.00 0.00 C ATOM 1169 NE ARG A 76 3.322 15.087 -6.399 1.00 0.00 N ATOM 1170 CZ ARG A 76 4.099 16.039 -5.886 1.00 0.00 C ATOM 1171 NH1 ARG A 76 4.536 17.038 -6.649 1.00 0.00 N ATOM 1172 NH2 ARG A 76 4.422 15.980 -4.599 1.00 0.00 N ATOM 0 H ARG A 76 -0.823 14.642 -7.760 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.721 13.240 -10.168 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.687 13.597 -9.998 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.849 15.029 -9.434 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.068 13.951 -7.038 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.275 12.915 -7.774 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.615 14.823 -8.468 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.339 15.949 -8.051 1.00 0.00 H new ATOM 0 HE ARG A 76 3.060 14.330 -5.768 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.276 17.078 -7.635 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.131 17.763 -6.248 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.076 15.214 -4.021 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.016 16.700 -4.189 1.00 0.00 H new ATOM 1186 N ALA A 77 -0.265 11.302 -7.640 1.00 0.00 N ATOM 1187 CA ALA A 77 -0.092 9.936 -7.201 1.00 0.00 C ATOM 1188 C ALA A 77 -1.400 9.149 -7.258 1.00 0.00 C ATOM 1189 O ALA A 77 -1.348 7.952 -7.539 1.00 0.00 O ATOM 1190 CB ALA A 77 0.450 9.974 -5.782 1.00 0.00 C ATOM 0 H ALA A 77 -0.595 11.922 -6.900 1.00 0.00 H new ATOM 0 HA ALA A 77 0.603 9.425 -7.867 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.592 8.956 -5.420 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.405 10.500 -5.771 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.258 10.493 -5.136 1.00 0.00 H new ATOM 1196 N ILE A 78 -2.563 9.782 -7.047 1.00 0.00 N ATOM 1197 CA ILE A 78 -3.830 9.145 -7.401 1.00 0.00 C ATOM 1198 C ILE A 78 -3.749 8.717 -8.870 1.00 0.00 C ATOM 1199 O ILE A 78 -4.035 7.568 -9.197 1.00 0.00 O ATOM 1200 CB ILE A 78 -5.051 10.043 -7.133 1.00 0.00 C ATOM 1201 CG1 ILE A 78 -5.096 10.576 -5.686 1.00 0.00 C ATOM 1202 CG2 ILE A 78 -6.331 9.256 -7.473 1.00 0.00 C ATOM 1203 CD1 ILE A 78 -5.267 9.530 -4.585 1.00 0.00 C ATOM 0 H ILE A 78 -2.649 10.714 -6.642 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.979 8.274 -6.763 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.973 10.923 -7.771 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.175 11.126 -5.495 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -5.916 11.290 -5.610 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.203 9.882 -7.287 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.311 8.965 -8.523 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.386 8.363 -6.850 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.284 10.024 -3.613 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.203 8.993 -4.736 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.435 8.826 -4.619 1.00 0.00 H new ATOM 1215 N ALA A 79 -3.260 9.609 -9.737 1.00 0.00 N ATOM 1216 CA ALA A 79 -3.144 9.377 -11.168 1.00 0.00 C ATOM 1217 C ALA A 79 -2.246 8.181 -11.551 1.00 0.00 C ATOM 1218 O ALA A 79 -2.186 7.826 -12.728 1.00 0.00 O ATOM 1219 CB ALA A 79 -2.582 10.644 -11.802 1.00 0.00 C ATOM 0 H ALA A 79 -2.928 10.530 -9.451 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.140 9.130 -11.534 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.484 10.500 -12.878 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.257 11.478 -11.608 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.603 10.862 -11.374 1.00 0.00 H new ATOM 1225 N ALA A 80 -1.482 7.604 -10.617 1.00 0.00 N ATOM 1226 CA ALA A 80 -0.705 6.397 -10.854 1.00 0.00 C ATOM 1227 C ALA A 80 -1.602 5.182 -10.732 1.00 0.00 C ATOM 1228 O ALA A 80 -1.699 4.380 -11.651 1.00 0.00 O ATOM 1229 CB ALA A 80 0.402 6.287 -9.820 1.00 0.00 C ATOM 0 H ALA A 80 -1.389 7.970 -9.669 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.275 6.445 -11.854 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.981 5.382 -10.002 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.056 7.156 -9.893 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.035 6.244 -8.822 1.00 0.00 H new ATOM 1235 N PHE A 81 -2.242 5.043 -9.573 1.00 0.00 N ATOM 1236 CA PHE A 81 -3.156 3.994 -9.237 1.00 0.00 C ATOM 1237 C PHE A 81 -4.312 3.995 -10.240 1.00 0.00 C ATOM 1238 O PHE A 81 -4.683 2.943 -10.749 1.00 0.00 O ATOM 1239 CB PHE A 81 -3.570 4.249 -7.779 1.00 0.00 C ATOM 1240 CG PHE A 81 -2.420 4.451 -6.788 1.00 0.00 C ATOM 1241 CD1 PHE A 81 -1.270 3.638 -6.836 1.00 0.00 C ATOM 1242 CD2 PHE A 81 -2.494 5.454 -5.805 1.00 0.00 C ATOM 1243 CE1 PHE A 81 -0.214 3.809 -5.926 1.00 0.00 C ATOM 1244 CE2 PHE A 81 -1.459 5.599 -4.861 1.00 0.00 C ATOM 1245 CZ PHE A 81 -0.320 4.777 -4.915 1.00 0.00 C ATOM 0 H PHE A 81 -2.118 5.708 -8.809 1.00 0.00 H new ATOM 0 HA PHE A 81 -2.727 2.994 -9.302 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -4.209 5.132 -7.751 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -4.174 3.408 -7.440 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -1.199 2.867 -7.589 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -3.347 6.115 -5.774 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.674 3.199 -6.004 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -1.541 6.349 -4.088 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.467 4.889 -4.184 1.00 0.00 H new ATOM 1255 N GLU A 82 -4.777 5.178 -10.642 1.00 0.00 N ATOM 1256 CA GLU A 82 -5.747 5.363 -11.711 1.00 0.00 C ATOM 1257 C GLU A 82 -5.308 4.727 -13.025 1.00 0.00 C ATOM 1258 O GLU A 82 -6.171 4.340 -13.808 1.00 0.00 O ATOM 1259 CB GLU A 82 -5.930 6.858 -11.962 1.00 0.00 C ATOM 1260 CG GLU A 82 -6.704 7.573 -10.854 1.00 0.00 C ATOM 1261 CD GLU A 82 -8.165 7.756 -11.242 1.00 0.00 C ATOM 1262 OE1 GLU A 82 -8.912 6.751 -11.326 1.00 0.00 O ATOM 1263 OE2 GLU A 82 -8.556 8.914 -11.500 1.00 0.00 O ATOM 0 H GLU A 82 -4.478 6.056 -10.218 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.670 4.882 -11.388 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.950 7.323 -12.068 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.453 6.998 -12.908 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.638 6.998 -9.930 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.251 8.545 -10.658 1.00 0.00 H new ATOM 1270 N ALA A 83 -4.005 4.617 -13.305 1.00 0.00 N ATOM 1271 CA ALA A 83 -3.536 4.120 -14.589 1.00 0.00 C ATOM 1272 C ALA A 83 -3.627 2.596 -14.655 1.00 0.00 C ATOM 1273 O ALA A 83 -3.338 2.011 -15.701 1.00 0.00 O ATOM 1274 CB ALA A 83 -2.095 4.579 -14.784 1.00 0.00 C ATOM 0 H ALA A 83 -3.261 4.868 -12.654 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.166 4.517 -15.385 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.724 4.216 -15.743 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.055 5.668 -14.768 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.475 4.181 -13.981 1.00 0.00 H new ATOM 1280 N MET A 84 -3.973 1.955 -13.535 1.00 0.00 N ATOM 1281 CA MET A 84 -4.118 0.510 -13.406 1.00 0.00 C ATOM 1282 C MET A 84 -5.435 0.123 -12.734 1.00 0.00 C ATOM 1283 O MET A 84 -5.710 -1.068 -12.572 1.00 0.00 O ATOM 1284 CB MET A 84 -2.890 -0.095 -12.696 1.00 0.00 C ATOM 1285 CG MET A 84 -2.224 0.805 -11.655 1.00 0.00 C ATOM 1286 SD MET A 84 -0.799 0.044 -10.847 1.00 0.00 S ATOM 1287 CE MET A 84 -0.359 1.436 -9.805 1.00 0.00 C ATOM 0 H MET A 84 -4.166 2.450 -12.664 1.00 0.00 H new ATOM 0 HA MET A 84 -4.160 0.083 -14.408 1.00 0.00 H new ATOM 0 HB2 MET A 84 -3.193 -1.022 -12.209 1.00 0.00 H new ATOM 0 HB3 MET A 84 -2.149 -0.359 -13.450 1.00 0.00 H new ATOM 0 HG2 MET A 84 -1.907 1.730 -12.136 1.00 0.00 H new ATOM 0 HG3 MET A 84 -2.959 1.076 -10.897 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.726 1.517 -9.745 1.00 0.00 H new ATOM 0 HE2 MET A 84 -0.768 2.352 -10.230 1.00 0.00 H new ATOM 0 HE3 MET A 84 -0.768 1.286 -8.806 1.00 0.00 H new ATOM 1297 N GLY A 85 -6.273 1.082 -12.336 1.00 0.00 N ATOM 1298 CA GLY A 85 -7.413 0.794 -11.480 1.00 0.00 C ATOM 1299 C GLY A 85 -6.951 0.170 -10.167 1.00 0.00 C ATOM 1300 O GLY A 85 -7.591 -0.759 -9.676 1.00 0.00 O ATOM 0 H GLY A 85 -6.179 2.064 -12.596 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -7.965 1.712 -11.279 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -8.097 0.116 -11.991 1.00 0.00 H new ATOM 1304 N VAL A 86 -5.835 0.648 -9.616 1.00 0.00 N ATOM 1305 CA VAL A 86 -5.428 0.335 -8.254 1.00 0.00 C ATOM 1306 C VAL A 86 -6.268 1.247 -7.369 1.00 0.00 C ATOM 1307 O VAL A 86 -6.377 2.451 -7.624 1.00 0.00 O ATOM 1308 CB VAL A 86 -3.893 0.486 -8.117 1.00 0.00 C ATOM 1309 CG1 VAL A 86 -3.360 0.622 -6.682 1.00 0.00 C ATOM 1310 CG2 VAL A 86 -3.269 -0.787 -8.699 1.00 0.00 C ATOM 0 H VAL A 86 -5.188 1.265 -10.107 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.609 -0.697 -7.953 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.631 1.411 -8.630 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.275 0.722 -6.705 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.796 1.505 -6.214 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -3.631 -0.264 -6.108 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.183 -0.727 -8.624 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.624 -1.654 -8.141 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.556 -0.887 -9.746 1.00 0.00 H new ATOM 1320 N LYS A 87 -6.946 0.660 -6.380 1.00 0.00 N ATOM 1321 CA LYS A 87 -7.747 1.429 -5.437 1.00 0.00 C ATOM 1322 C LYS A 87 -6.816 2.074 -4.407 1.00 0.00 C ATOM 1323 O LYS A 87 -5.855 1.448 -3.965 1.00 0.00 O ATOM 1324 CB LYS A 87 -8.826 0.513 -4.849 1.00 0.00 C ATOM 1325 CG LYS A 87 -9.657 1.216 -3.761 1.00 0.00 C ATOM 1326 CD LYS A 87 -11.149 0.875 -3.810 1.00 0.00 C ATOM 1327 CE LYS A 87 -11.451 -0.627 -3.835 1.00 0.00 C ATOM 1328 NZ LYS A 87 -12.821 -0.896 -4.322 1.00 0.00 N ATOM 0 H LYS A 87 -6.953 -0.347 -6.215 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.278 2.252 -5.915 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.487 0.175 -5.647 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.356 -0.375 -4.427 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.263 0.943 -2.782 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.536 2.294 -3.864 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -11.640 1.318 -2.944 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.587 1.337 -4.695 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.730 -1.134 -4.476 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.332 -1.040 -2.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.993 -1.922 -4.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -13.509 -0.432 -3.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.926 -0.523 -5.287 1.00 0.00 H new ATOM 1342 N VAL A 88 -7.109 3.304 -3.993 1.00 0.00 N ATOM 1343 CA VAL A 88 -6.317 4.066 -3.043 1.00 0.00 C ATOM 1344 C VAL A 88 -7.265 4.617 -1.989 1.00 0.00 C ATOM 1345 O VAL A 88 -8.012 5.558 -2.226 1.00 0.00 O ATOM 1346 CB VAL A 88 -5.436 5.099 -3.772 1.00 0.00 C ATOM 1347 CG1 VAL A 88 -6.175 6.016 -4.759 1.00 0.00 C ATOM 1348 CG2 VAL A 88 -4.626 5.954 -2.786 1.00 0.00 C ATOM 0 H VAL A 88 -7.931 3.810 -4.322 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.591 3.448 -2.515 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.767 4.484 -4.374 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -5.465 6.704 -5.217 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.646 5.412 -5.534 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.938 6.583 -4.227 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.018 6.670 -3.339 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.307 6.491 -2.125 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.978 5.309 -2.193 1.00 0.00 H new ATOM 1358 N ILE A 89 -7.282 3.965 -0.838 1.00 0.00 N ATOM 1359 CA ILE A 89 -7.971 4.387 0.367 1.00 0.00 C ATOM 1360 C ILE A 89 -7.171 5.536 0.971 1.00 0.00 C ATOM 1361 O ILE A 89 -5.943 5.571 0.869 1.00 0.00 O ATOM 1362 CB ILE A 89 -8.069 3.148 1.278 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -9.156 2.234 0.667 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -8.322 3.459 2.762 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -9.219 0.852 1.292 1.00 0.00 C ATOM 0 H ILE A 89 -6.789 3.081 -0.714 1.00 0.00 H new ATOM 0 HA ILE A 89 -8.983 4.756 0.198 1.00 0.00 H new ATOM 0 HB ILE A 89 -7.101 2.648 1.303 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -10.127 2.717 0.777 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -8.971 2.131 -0.402 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.376 2.527 3.325 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -7.507 4.071 3.150 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -9.263 4.000 2.865 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -10.005 0.270 0.811 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.262 0.348 1.159 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -9.435 0.944 2.356 1.00 0.00 H new ATOM 1377 N LYS A 90 -7.858 6.455 1.646 1.00 0.00 N ATOM 1378 CA LYS A 90 -7.286 7.639 2.269 1.00 0.00 C ATOM 1379 C LYS A 90 -7.739 7.711 3.723 1.00 0.00 C ATOM 1380 O LYS A 90 -8.549 6.895 4.162 1.00 0.00 O ATOM 1381 CB LYS A 90 -7.727 8.884 1.482 1.00 0.00 C ATOM 1382 CG LYS A 90 -7.017 9.024 0.133 1.00 0.00 C ATOM 1383 CD LYS A 90 -7.786 8.424 -1.046 1.00 0.00 C ATOM 1384 CE LYS A 90 -8.636 9.448 -1.795 1.00 0.00 C ATOM 1385 NZ LYS A 90 -9.967 9.687 -1.208 1.00 0.00 N ATOM 0 H LYS A 90 -8.867 6.390 1.777 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.197 7.591 2.254 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.803 8.839 1.316 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.533 9.773 2.082 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.840 10.081 -0.064 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.041 8.544 0.197 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.078 7.972 -1.741 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -8.430 7.624 -0.682 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.094 10.393 -1.832 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -8.762 9.113 -2.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.372 10.557 -1.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.591 8.883 -1.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.878 9.790 -0.177 1.00 0.00 H new ATOM 1399 N GLY A 91 -7.234 8.702 4.457 1.00 0.00 N ATOM 1400 CA GLY A 91 -7.800 9.078 5.741 1.00 0.00 C ATOM 1401 C GLY A 91 -7.533 8.056 6.840 1.00 0.00 C ATOM 1402 O GLY A 91 -8.251 8.045 7.842 1.00 0.00 O ATOM 0 H GLY A 91 -6.427 9.260 4.177 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.390 10.042 6.043 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.876 9.210 5.631 1.00 0.00 H new ATOM 1406 N ALA A 92 -6.538 7.181 6.663 1.00 0.00 N ATOM 1407 CA ALA A 92 -6.130 6.237 7.693 1.00 0.00 C ATOM 1408 C ALA A 92 -5.286 6.944 8.759 1.00 0.00 C ATOM 1409 O ALA A 92 -5.021 8.141 8.649 1.00 0.00 O ATOM 1410 CB ALA A 92 -5.372 5.086 7.031 1.00 0.00 C ATOM 0 H ALA A 92 -5.997 7.112 5.801 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.004 5.830 8.201 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -5.060 4.371 7.792 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.022 4.589 6.310 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.493 5.477 6.518 1.00 0.00 H new ATOM 1416 N SER A 93 -4.842 6.208 9.772 1.00 0.00 N ATOM 1417 CA SER A 93 -3.842 6.581 10.762 1.00 0.00 C ATOM 1418 C SER A 93 -3.403 5.294 11.465 1.00 0.00 C ATOM 1419 O SER A 93 -4.182 4.337 11.482 1.00 0.00 O ATOM 1420 CB SER A 93 -4.402 7.626 11.744 1.00 0.00 C ATOM 1421 OG SER A 93 -5.682 7.323 12.286 1.00 0.00 O ATOM 0 H SER A 93 -5.199 5.266 9.933 1.00 0.00 H new ATOM 0 HA SER A 93 -2.980 7.053 10.291 1.00 0.00 H new ATOM 0 HB2 SER A 93 -3.696 7.744 12.566 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.460 8.587 11.233 1.00 0.00 H new ATOM 0 HG SER A 93 -5.956 8.038 12.898 1.00 0.00 H new ATOM 1427 N GLY A 94 -2.187 5.265 12.014 1.00 0.00 N ATOM 1428 CA GLY A 94 -1.681 4.133 12.792 1.00 0.00 C ATOM 1429 C GLY A 94 -0.436 3.497 12.175 1.00 0.00 C ATOM 1430 O GLY A 94 0.203 4.068 11.290 1.00 0.00 O ATOM 0 H GLY A 94 -1.521 6.033 11.930 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -1.449 4.468 13.803 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.463 3.379 12.878 1.00 0.00 H new ATOM 1434 N THR A 95 -0.053 2.325 12.669 1.00 0.00 N ATOM 1435 CA THR A 95 1.023 1.526 12.097 1.00 0.00 C ATOM 1436 C THR A 95 0.513 0.762 10.875 1.00 0.00 C ATOM 1437 O THR A 95 -0.683 0.752 10.588 1.00 0.00 O ATOM 1438 CB THR A 95 1.601 0.569 13.159 1.00 0.00 C ATOM 1439 OG1 THR A 95 0.574 -0.075 13.898 1.00 0.00 O ATOM 1440 CG2 THR A 95 2.483 1.337 14.139 1.00 0.00 C ATOM 0 H THR A 95 -0.487 1.898 13.488 1.00 0.00 H new ATOM 0 HA THR A 95 1.827 2.186 11.772 1.00 0.00 H new ATOM 0 HB THR A 95 2.184 -0.183 12.627 1.00 0.00 H new ATOM 0 HG1 THR A 95 0.975 -0.675 14.561 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.884 0.649 14.883 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.305 1.806 13.598 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.891 2.105 14.637 1.00 0.00 H new ATOM 1448 N VAL A 96 1.418 0.091 10.162 1.00 0.00 N ATOM 1449 CA VAL A 96 1.105 -0.682 8.976 1.00 0.00 C ATOM 1450 C VAL A 96 0.072 -1.734 9.332 1.00 0.00 C ATOM 1451 O VAL A 96 -0.985 -1.755 8.711 1.00 0.00 O ATOM 1452 CB VAL A 96 2.405 -1.262 8.383 1.00 0.00 C ATOM 1453 CG1 VAL A 96 2.230 -2.513 7.517 1.00 0.00 C ATOM 1454 CG2 VAL A 96 3.062 -0.182 7.538 1.00 0.00 C ATOM 0 H VAL A 96 2.409 0.074 10.404 1.00 0.00 H new ATOM 0 HA VAL A 96 0.665 -0.058 8.198 1.00 0.00 H new ATOM 0 HB VAL A 96 3.011 -1.573 9.234 1.00 0.00 H new ATOM 0 HG11 VAL A 96 3.203 -2.840 7.149 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.781 -3.308 8.113 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.581 -2.283 6.672 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.985 -0.569 7.107 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.385 0.116 6.738 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.288 0.682 8.163 1.00 0.00 H new ATOM 1464 N GLU A 97 0.356 -2.602 10.304 1.00 0.00 N ATOM 1465 CA GLU A 97 -0.561 -3.705 10.565 1.00 0.00 C ATOM 1466 C GLU A 97 -1.942 -3.195 10.999 1.00 0.00 C ATOM 1467 O GLU A 97 -2.949 -3.815 10.675 1.00 0.00 O ATOM 1468 CB GLU A 97 -0.018 -4.707 11.578 1.00 0.00 C ATOM 1469 CG GLU A 97 0.231 -4.185 12.998 1.00 0.00 C ATOM 1470 CD GLU A 97 0.454 -5.327 13.999 1.00 0.00 C ATOM 1471 OE1 GLU A 97 -0.232 -6.374 13.919 1.00 0.00 O ATOM 1472 OE2 GLU A 97 1.344 -5.194 14.872 1.00 0.00 O ATOM 0 H GLU A 97 1.182 -2.566 10.902 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.666 -4.237 9.619 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -0.717 -5.541 11.640 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.920 -5.106 11.193 1.00 0.00 H new ATOM 0 HG2 GLU A 97 1.102 -3.529 12.996 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -0.620 -3.584 13.318 1.00 0.00 H new ATOM 1479 N GLU A 98 -2.000 -2.061 11.697 1.00 0.00 N ATOM 1480 CA GLU A 98 -3.219 -1.452 12.209 1.00 0.00 C ATOM 1481 C GLU A 98 -4.043 -0.963 11.022 1.00 0.00 C ATOM 1482 O GLU A 98 -5.188 -1.363 10.834 1.00 0.00 O ATOM 1483 CB GLU A 98 -2.839 -0.299 13.159 1.00 0.00 C ATOM 1484 CG GLU A 98 -4.036 0.374 13.847 1.00 0.00 C ATOM 1485 CD GLU A 98 -4.547 -0.428 15.046 1.00 0.00 C ATOM 1486 OE1 GLU A 98 -4.793 -1.645 14.907 1.00 0.00 O ATOM 1487 OE2 GLU A 98 -4.682 0.172 16.140 1.00 0.00 O ATOM 0 H GLU A 98 -1.164 -1.524 11.928 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.817 -2.167 12.774 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.163 -0.682 13.924 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -2.288 0.454 12.595 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.748 1.372 14.177 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.844 0.498 13.126 1.00 0.00 H new ATOM 1494 N VAL A 99 -3.422 -0.150 10.171 1.00 0.00 N ATOM 1495 CA VAL A 99 -4.006 0.366 8.944 1.00 0.00 C ATOM 1496 C VAL A 99 -4.460 -0.779 8.021 1.00 0.00 C ATOM 1497 O VAL A 99 -5.424 -0.617 7.270 1.00 0.00 O ATOM 1498 CB VAL A 99 -2.944 1.286 8.306 1.00 0.00 C ATOM 1499 CG1 VAL A 99 -3.273 1.698 6.886 1.00 0.00 C ATOM 1500 CG2 VAL A 99 -2.808 2.611 9.067 1.00 0.00 C ATOM 0 H VAL A 99 -2.468 0.176 10.325 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.913 0.939 9.137 1.00 0.00 H new ATOM 0 HB VAL A 99 -2.035 0.685 8.337 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.483 2.343 6.502 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.353 0.810 6.259 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.220 2.237 6.874 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.051 3.230 8.587 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -3.764 3.135 9.059 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.513 2.410 10.097 1.00 0.00 H new ATOM 1510 N VAL A 100 -3.801 -1.936 8.065 1.00 0.00 N ATOM 1511 CA VAL A 100 -4.143 -3.085 7.247 1.00 0.00 C ATOM 1512 C VAL A 100 -5.400 -3.691 7.846 1.00 0.00 C ATOM 1513 O VAL A 100 -6.396 -3.860 7.141 1.00 0.00 O ATOM 1514 CB VAL A 100 -2.947 -4.058 7.203 1.00 0.00 C ATOM 1515 CG1 VAL A 100 -3.318 -5.478 6.787 1.00 0.00 C ATOM 1516 CG2 VAL A 100 -1.903 -3.570 6.200 1.00 0.00 C ATOM 0 H VAL A 100 -3.004 -2.098 8.681 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.348 -2.819 6.210 1.00 0.00 H new ATOM 0 HB VAL A 100 -2.567 -4.080 8.224 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.423 -6.101 6.780 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -4.040 -5.887 7.494 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.756 -5.462 5.789 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.065 -4.266 6.180 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.351 -3.512 5.208 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.548 -2.583 6.496 1.00 0.00 H new ATOM 1526 N ASN A 101 -5.363 -3.994 9.145 1.00 0.00 N ATOM 1527 CA ASN A 101 -6.468 -4.616 9.859 1.00 0.00 C ATOM 1528 C ASN A 101 -7.738 -3.797 9.667 1.00 0.00 C ATOM 1529 O ASN A 101 -8.781 -4.368 9.352 1.00 0.00 O ATOM 1530 CB ASN A 101 -6.135 -4.696 11.352 1.00 0.00 C ATOM 1531 CG ASN A 101 -5.464 -6.008 11.730 1.00 0.00 C ATOM 1532 OD1 ASN A 101 -6.130 -7.022 11.941 1.00 0.00 O ATOM 1533 ND2 ASN A 101 -4.151 -6.029 11.816 1.00 0.00 N ATOM 0 H ASN A 101 -4.551 -3.810 9.734 1.00 0.00 H new ATOM 0 HA ASN A 101 -6.625 -5.620 9.465 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -5.480 -3.867 11.620 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -7.051 -4.580 11.932 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -3.670 -6.894 12.061 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -3.615 -5.180 11.638 1.00 0.00 H new ATOM 1540 N GLN A 102 -7.645 -2.468 9.786 1.00 0.00 N ATOM 1541 CA GLN A 102 -8.776 -1.563 9.619 1.00 0.00 C ATOM 1542 C GLN A 102 -9.475 -1.796 8.273 1.00 0.00 C ATOM 1543 O GLN A 102 -10.701 -1.718 8.170 1.00 0.00 O ATOM 1544 CB GLN A 102 -8.313 -0.105 9.721 1.00 0.00 C ATOM 1545 CG GLN A 102 -7.833 0.281 11.127 1.00 0.00 C ATOM 1546 CD GLN A 102 -8.923 0.990 11.918 1.00 0.00 C ATOM 1547 OE1 GLN A 102 -9.142 2.193 11.763 1.00 0.00 O ATOM 1548 NE2 GLN A 102 -9.649 0.266 12.744 1.00 0.00 N ATOM 0 H GLN A 102 -6.770 -1.990 10.003 1.00 0.00 H new ATOM 0 HA GLN A 102 -9.489 -1.768 10.417 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -7.505 0.063 9.009 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -9.134 0.551 9.432 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -7.518 -0.614 11.663 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -6.960 0.929 11.049 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -9.452 -0.728 12.859 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -10.408 0.699 13.269 1.00 0.00 H new ATOM 1557 N TYR A 103 -8.698 -2.057 7.221 1.00 0.00 N ATOM 1558 CA TYR A 103 -9.203 -2.317 5.886 1.00 0.00 C ATOM 1559 C TYR A 103 -9.715 -3.746 5.723 1.00 0.00 C ATOM 1560 O TYR A 103 -10.764 -3.925 5.103 1.00 0.00 O ATOM 1561 CB TYR A 103 -8.132 -1.959 4.859 1.00 0.00 C ATOM 1562 CG TYR A 103 -8.346 -2.625 3.520 1.00 0.00 C ATOM 1563 CD1 TYR A 103 -9.330 -2.133 2.645 1.00 0.00 C ATOM 1564 CD2 TYR A 103 -7.668 -3.821 3.224 1.00 0.00 C ATOM 1565 CE1 TYR A 103 -9.646 -2.841 1.471 1.00 0.00 C ATOM 1566 CE2 TYR A 103 -7.997 -4.546 2.071 1.00 0.00 C ATOM 1567 CZ TYR A 103 -8.995 -4.064 1.195 1.00 0.00 C ATOM 1568 OH TYR A 103 -9.336 -4.793 0.097 1.00 0.00 O ATOM 0 H TYR A 103 -7.680 -2.093 7.282 1.00 0.00 H new ATOM 0 HA TYR A 103 -10.072 -1.682 5.715 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -8.116 -0.878 4.722 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -7.155 -2.245 5.248 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -9.844 -1.211 2.874 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -6.894 -4.181 3.885 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -10.383 -2.451 0.784 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -7.488 -5.473 1.852 1.00 0.00 H new ATOM 0 HH TYR A 103 -8.788 -5.605 0.060 1.00 0.00 H new ATOM 1578 N LEU A 104 -9.063 -4.766 6.287 1.00 0.00 N ATOM 1579 CA LEU A 104 -9.611 -6.121 6.284 1.00 0.00 C ATOM 1580 C LEU A 104 -10.936 -6.186 7.048 1.00 0.00 C ATOM 1581 O LEU A 104 -11.789 -7.010 6.706 1.00 0.00 O ATOM 1582 CB LEU A 104 -8.629 -7.139 6.879 1.00 0.00 C ATOM 1583 CG LEU A 104 -7.530 -7.578 5.902 1.00 0.00 C ATOM 1584 CD1 LEU A 104 -6.416 -6.560 5.728 1.00 0.00 C ATOM 1585 CD2 LEU A 104 -6.854 -8.857 6.381 1.00 0.00 C ATOM 0 H LEU A 104 -8.158 -4.678 6.750 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.786 -6.381 5.240 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.164 -6.707 7.765 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.184 -8.018 7.207 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.052 -7.710 4.954 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.679 -6.944 5.023 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.832 -5.627 5.346 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.937 -6.377 6.690 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.079 -9.147 5.671 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.405 -8.687 7.359 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.594 -9.654 6.456 1.00 0.00 H new ATOM 1597 N SER A 105 -11.146 -5.283 8.008 1.00 0.00 N ATOM 1598 CA SER A 105 -12.407 -5.115 8.724 1.00 0.00 C ATOM 1599 C SER A 105 -13.370 -4.175 7.974 1.00 0.00 C ATOM 1600 O SER A 105 -14.492 -3.954 8.427 1.00 0.00 O ATOM 1601 CB SER A 105 -12.124 -4.619 10.155 1.00 0.00 C ATOM 1602 OG SER A 105 -12.573 -5.549 11.128 1.00 0.00 O ATOM 0 H SER A 105 -10.423 -4.632 8.315 1.00 0.00 H new ATOM 0 HA SER A 105 -12.907 -6.082 8.781 1.00 0.00 H new ATOM 0 HB2 SER A 105 -11.054 -4.451 10.278 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.617 -3.660 10.313 1.00 0.00 H new ATOM 0 HG SER A 105 -12.377 -5.205 12.024 1.00 0.00 H new ATOM 1608 N GLY A 106 -12.979 -3.603 6.832 1.00 0.00 N ATOM 1609 CA GLY A 106 -13.838 -2.746 6.021 1.00 0.00 C ATOM 1610 C GLY A 106 -14.199 -1.428 6.710 1.00 0.00 C ATOM 1611 O GLY A 106 -15.199 -0.818 6.343 1.00 0.00 O ATOM 0 H GLY A 106 -12.044 -3.726 6.443 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -13.337 -2.530 5.077 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -14.754 -3.285 5.780 1.00 0.00 H new ATOM 1615 N GLN A 107 -13.438 -1.001 7.722 1.00 0.00 N ATOM 1616 CA GLN A 107 -13.620 0.288 8.391 1.00 0.00 C ATOM 1617 C GLN A 107 -13.036 1.416 7.547 1.00 0.00 C ATOM 1618 O GLN A 107 -13.439 2.577 7.663 1.00 0.00 O ATOM 1619 CB GLN A 107 -12.902 0.272 9.752 1.00 0.00 C ATOM 1620 CG GLN A 107 -13.511 -0.765 10.705 1.00 0.00 C ATOM 1621 CD GLN A 107 -14.914 -0.376 11.179 1.00 0.00 C ATOM 1622 OE1 GLN A 107 -15.386 0.732 10.937 1.00 0.00 O ATOM 1623 NE2 GLN A 107 -15.610 -1.253 11.873 1.00 0.00 N ATOM 0 H GLN A 107 -12.668 -1.550 8.104 1.00 0.00 H new ATOM 0 HA GLN A 107 -14.688 0.454 8.529 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -11.845 0.052 9.603 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -12.961 1.261 10.206 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -13.556 -1.732 10.204 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -12.859 -0.885 11.570 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -15.217 -2.173 12.073 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -16.542 -1.012 12.210 1.00 0.00 H new ATOM 1632 N LEU A 108 -12.035 1.095 6.737 1.00 0.00 N ATOM 1633 CA LEU A 108 -11.381 2.032 5.839 1.00 0.00 C ATOM 1634 C LEU A 108 -12.140 2.131 4.517 1.00 0.00 C ATOM 1635 O LEU A 108 -12.789 1.173 4.104 1.00 0.00 O ATOM 1636 CB LEU A 108 -9.940 1.565 5.631 1.00 0.00 C ATOM 1637 CG LEU A 108 -8.975 2.249 6.611 1.00 0.00 C ATOM 1638 CD1 LEU A 108 -7.626 1.558 6.483 1.00 0.00 C ATOM 1639 CD2 LEU A 108 -8.787 3.754 6.380 1.00 0.00 C ATOM 0 H LEU A 108 -11.648 0.153 6.687 1.00 0.00 H new ATOM 0 HA LEU A 108 -11.376 3.032 6.272 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -9.885 0.484 5.761 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.632 1.779 4.608 1.00 0.00 H new ATOM 0 HG LEU A 108 -9.410 2.156 7.606 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -6.914 2.020 7.167 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -7.733 0.502 6.730 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -7.262 1.656 5.460 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -8.090 4.151 7.118 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -8.390 3.922 5.379 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -9.747 4.260 6.479 1.00 0.00 H new ATOM 1651 N LYS A 109 -12.035 3.278 3.839 1.00 0.00 N ATOM 1652 CA LYS A 109 -12.628 3.518 2.528 1.00 0.00 C ATOM 1653 C LYS A 109 -11.836 4.578 1.769 1.00 0.00 C ATOM 1654 O LYS A 109 -11.086 5.364 2.348 1.00 0.00 O ATOM 1655 CB LYS A 109 -14.106 3.938 2.659 1.00 0.00 C ATOM 1656 CG LYS A 109 -14.355 5.261 3.411 1.00 0.00 C ATOM 1657 CD LYS A 109 -14.924 5.087 4.826 1.00 0.00 C ATOM 1658 CE LYS A 109 -16.399 4.673 4.772 1.00 0.00 C ATOM 1659 NZ LYS A 109 -17.011 4.654 6.110 1.00 0.00 N ATOM 0 H LYS A 109 -11.522 4.083 4.199 1.00 0.00 H new ATOM 0 HA LYS A 109 -12.590 2.586 1.964 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -14.532 4.023 1.659 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -14.648 3.142 3.170 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -13.416 5.811 3.475 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -15.044 5.872 2.828 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -14.349 4.333 5.364 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -14.823 6.020 5.381 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -16.947 5.364 4.131 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -16.483 3.685 4.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -18.008 4.369 6.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -16.504 3.976 6.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -16.954 5.603 6.531 1.00 0.00 H new ATOM 1673 N ASP A 110 -12.022 4.625 0.460 1.00 0.00 N ATOM 1674 CA ASP A 110 -11.568 5.710 -0.393 1.00 0.00 C ATOM 1675 C ASP A 110 -12.675 6.760 -0.400 1.00 0.00 C ATOM 1676 O ASP A 110 -13.608 6.683 -1.203 1.00 0.00 O ATOM 1677 CB ASP A 110 -11.255 5.163 -1.788 1.00 0.00 C ATOM 1678 CG ASP A 110 -10.990 6.266 -2.815 1.00 0.00 C ATOM 1679 OD1 ASP A 110 -10.733 7.421 -2.419 1.00 0.00 O ATOM 1680 OD2 ASP A 110 -11.104 5.945 -4.024 1.00 0.00 O ATOM 0 H ASP A 110 -12.507 3.888 -0.052 1.00 0.00 H new ATOM 0 HA ASP A 110 -10.648 6.169 -0.030 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -10.384 4.511 -1.730 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -12.090 4.550 -2.128 1.00 0.00 H new ATOM 1685 N SER A 111 -12.603 7.698 0.541 1.00 0.00 N ATOM 1686 CA SER A 111 -13.361 8.943 0.569 1.00 0.00 C ATOM 1687 C SER A 111 -12.414 10.106 0.902 1.00 0.00 C ATOM 1688 O SER A 111 -11.242 9.858 1.196 1.00 0.00 O ATOM 1689 CB SER A 111 -14.510 8.813 1.578 1.00 0.00 C ATOM 1690 OG SER A 111 -14.069 8.444 2.877 1.00 0.00 O ATOM 0 H SER A 111 -11.982 7.604 1.345 1.00 0.00 H new ATOM 0 HA SER A 111 -13.803 9.150 -0.406 1.00 0.00 H new ATOM 0 HB2 SER A 111 -15.043 9.762 1.637 1.00 0.00 H new ATOM 0 HB3 SER A 111 -15.221 8.070 1.217 1.00 0.00 H new ATOM 0 HG SER A 111 -14.840 8.378 3.478 1.00 0.00 H new ATOM 1696 N ASP A 112 -12.923 11.340 0.894 1.00 0.00 N ATOM 1697 CA ASP A 112 -12.263 12.603 1.247 1.00 0.00 C ATOM 1698 C ASP A 112 -11.296 13.020 0.135 1.00 0.00 C ATOM 1699 O ASP A 112 -10.163 12.531 0.060 1.00 0.00 O ATOM 1700 CB ASP A 112 -11.608 12.546 2.644 1.00 0.00 C ATOM 1701 CG ASP A 112 -11.150 13.909 3.163 1.00 0.00 C ATOM 1702 OD1 ASP A 112 -11.608 14.959 2.647 1.00 0.00 O ATOM 1703 OD2 ASP A 112 -10.397 13.943 4.162 1.00 0.00 O ATOM 0 H ASP A 112 -13.892 11.497 0.616 1.00 0.00 H new ATOM 0 HA ASP A 112 -13.020 13.383 1.324 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -12.318 12.117 3.351 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -10.750 11.874 2.607 1.00 0.00 H new ATOM 1708 N TYR A 113 -11.756 13.862 -0.796 1.00 0.00 N ATOM 1709 CA TYR A 113 -11.043 14.199 -2.034 1.00 0.00 C ATOM 1710 C TYR A 113 -11.417 15.616 -2.508 1.00 0.00 C ATOM 1711 O TYR A 113 -12.571 16.011 -2.342 1.00 0.00 O ATOM 1712 CB TYR A 113 -11.424 13.131 -3.080 1.00 0.00 C ATOM 1713 CG TYR A 113 -10.407 12.888 -4.177 1.00 0.00 C ATOM 1714 CD1 TYR A 113 -10.112 13.898 -5.101 1.00 0.00 C ATOM 1715 CD2 TYR A 113 -9.793 11.631 -4.324 1.00 0.00 C ATOM 1716 CE1 TYR A 113 -9.204 13.677 -6.143 1.00 0.00 C ATOM 1717 CE2 TYR A 113 -8.871 11.399 -5.354 1.00 0.00 C ATOM 1718 CZ TYR A 113 -8.565 12.431 -6.266 1.00 0.00 C ATOM 1719 OH TYR A 113 -7.737 12.214 -7.314 1.00 0.00 O ATOM 0 H TYR A 113 -12.653 14.339 -0.709 1.00 0.00 H new ATOM 0 HA TYR A 113 -9.964 14.201 -1.877 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -11.602 12.189 -2.561 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -12.367 13.423 -3.543 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -10.592 14.861 -5.008 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -10.035 10.835 -3.635 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -8.994 14.464 -6.853 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -8.396 10.434 -5.449 1.00 0.00 H new ATOM 0 HH TYR A 113 -8.036 12.744 -8.082 1.00 0.00 H new ATOM 1729 N GLU A 114 -10.492 16.365 -3.128 1.00 0.00 N ATOM 1730 CA GLU A 114 -10.743 17.687 -3.720 1.00 0.00 C ATOM 1731 C GLU A 114 -10.840 17.620 -5.255 1.00 0.00 C ATOM 1732 O GLU A 114 -10.090 16.879 -5.893 1.00 0.00 O ATOM 1733 CB GLU A 114 -9.628 18.672 -3.310 1.00 0.00 C ATOM 1734 CG GLU A 114 -8.320 18.416 -4.072 1.00 0.00 C ATOM 1735 CD GLU A 114 -7.123 19.266 -3.654 1.00 0.00 C ATOM 1736 OE1 GLU A 114 -7.304 20.458 -3.316 1.00 0.00 O ATOM 1737 OE2 GLU A 114 -5.973 18.795 -3.813 1.00 0.00 O ATOM 0 H GLU A 114 -9.525 16.060 -3.234 1.00 0.00 H new ATOM 0 HA GLU A 114 -11.702 18.039 -3.340 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -9.961 19.693 -3.496 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -9.445 18.586 -2.239 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -8.053 17.366 -3.953 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -8.504 18.580 -5.134 1.00 0.00 H new ATOM 1744 N VAL A 115 -11.654 18.465 -5.888 1.00 0.00 N ATOM 1745 CA VAL A 115 -11.952 18.365 -7.325 1.00 0.00 C ATOM 1746 C VAL A 115 -11.766 19.718 -8.041 1.00 0.00 C ATOM 1747 O VAL A 115 -12.398 20.008 -9.063 1.00 0.00 O ATOM 1748 CB VAL A 115 -13.330 17.680 -7.467 1.00 0.00 C ATOM 1749 CG1 VAL A 115 -14.507 18.556 -7.017 1.00 0.00 C ATOM 1750 CG2 VAL A 115 -13.565 17.126 -8.874 1.00 0.00 C ATOM 0 H VAL A 115 -12.128 19.240 -5.423 1.00 0.00 H new ATOM 0 HA VAL A 115 -11.238 17.734 -7.854 1.00 0.00 H new ATOM 0 HB VAL A 115 -13.293 16.837 -6.777 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -15.440 18.007 -7.147 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -14.384 18.819 -5.966 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -14.535 19.465 -7.618 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -14.547 16.655 -8.920 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -13.518 17.940 -9.598 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -12.797 16.388 -9.107 1.00 0.00 H new ATOM 1760 N HIS A 116 -10.913 20.583 -7.481 1.00 0.00 N ATOM 1761 CA HIS A 116 -10.987 22.023 -7.711 1.00 0.00 C ATOM 1762 C HIS A 116 -9.650 22.671 -8.079 1.00 0.00 C ATOM 1763 O HIS A 116 -9.476 23.867 -7.845 1.00 0.00 O ATOM 1764 CB HIS A 116 -11.643 22.663 -6.474 1.00 0.00 C ATOM 1765 CG HIS A 116 -12.526 23.836 -6.821 1.00 0.00 C ATOM 1766 ND1 HIS A 116 -12.466 25.092 -6.253 1.00 0.00 N ATOM 1767 CD2 HIS A 116 -13.558 23.818 -7.720 1.00 0.00 C ATOM 1768 CE1 HIS A 116 -13.429 25.838 -6.831 1.00 0.00 C ATOM 1769 NE2 HIS A 116 -14.102 25.085 -7.727 1.00 0.00 N ATOM 0 H HIS A 116 -10.156 20.302 -6.858 1.00 0.00 H new ATOM 0 HA HIS A 116 -11.598 22.204 -8.595 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -12.235 21.911 -5.952 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -10.865 22.991 -5.785 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -13.883 22.974 -8.310 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -13.631 26.876 -6.611 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -14.879 25.399 -8.309 1.00 0.00 H new ATOM 1778 N ASP A 117 -8.694 21.930 -8.644 1.00 0.00 N ATOM 1779 CA ASP A 117 -7.411 22.503 -9.067 1.00 0.00 C ATOM 1780 C ASP A 117 -7.186 22.270 -10.559 1.00 0.00 C ATOM 1781 O ASP A 117 -7.588 21.222 -11.072 1.00 0.00 O ATOM 1782 CB ASP A 117 -6.258 21.945 -8.230 1.00 0.00 C ATOM 1783 CG ASP A 117 -4.993 22.745 -8.527 1.00 0.00 C ATOM 1784 OD1 ASP A 117 -4.969 23.952 -8.197 1.00 0.00 O ATOM 1785 OD2 ASP A 117 -4.070 22.189 -9.164 1.00 0.00 O ATOM 0 H ASP A 117 -8.783 20.929 -8.820 1.00 0.00 H new ATOM 0 HA ASP A 117 -7.443 23.579 -8.899 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -6.500 22.005 -7.169 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -6.100 20.892 -8.462 1.00 0.00 H new ATOM 1790 N HIS A 118 -6.589 23.257 -11.249 1.00 0.00 N ATOM 1791 CA HIS A 118 -6.446 23.366 -12.707 1.00 0.00 C ATOM 1792 C HIS A 118 -7.532 22.589 -13.460 1.00 0.00 C ATOM 1793 O HIS A 118 -8.709 22.932 -13.316 1.00 0.00 O ATOM 1794 CB HIS A 118 -5.005 23.081 -13.168 1.00 0.00 C ATOM 1795 CG HIS A 118 -4.035 24.195 -12.858 1.00 0.00 C ATOM 1796 ND1 HIS A 118 -3.559 25.134 -13.763 1.00 0.00 N ATOM 1797 CD2 HIS A 118 -3.408 24.406 -11.662 1.00 0.00 C ATOM 1798 CE1 HIS A 118 -2.631 25.873 -13.133 1.00 0.00 C ATOM 1799 NE2 HIS A 118 -2.534 25.453 -11.861 1.00 0.00 N ATOM 0 H HIS A 118 -6.166 24.051 -10.769 1.00 0.00 H new ATOM 0 HA HIS A 118 -6.623 24.406 -12.981 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -4.656 22.165 -12.692 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -5.006 22.901 -14.243 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -3.566 23.861 -10.743 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -2.057 26.673 -13.576 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -1.912 25.846 -11.154 1.00 0.00 H new ATOM 1808 N HIS A 119 -7.177 21.615 -14.312 1.00 0.00 N ATOM 1809 CA HIS A 119 -8.126 20.791 -15.059 1.00 0.00 C ATOM 1810 C HIS A 119 -7.407 19.655 -15.783 1.00 0.00 C ATOM 1811 O HIS A 119 -7.887 18.530 -15.698 1.00 0.00 O ATOM 1812 CB HIS A 119 -8.959 21.609 -16.074 1.00 0.00 C ATOM 1813 CG HIS A 119 -10.406 21.176 -16.150 1.00 0.00 C ATOM 1814 ND1 HIS A 119 -10.915 19.907 -15.899 1.00 0.00 N ATOM 1815 CD2 HIS A 119 -11.460 22.015 -16.399 1.00 0.00 C ATOM 1816 CE1 HIS A 119 -12.252 19.982 -16.025 1.00 0.00 C ATOM 1817 NE2 HIS A 119 -12.608 21.254 -16.304 1.00 0.00 N ATOM 0 H HIS A 119 -6.203 21.378 -14.501 1.00 0.00 H new ATOM 0 HA HIS A 119 -8.816 20.377 -14.324 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -8.917 22.664 -15.801 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -8.507 21.517 -17.062 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -11.404 23.069 -16.626 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -12.935 19.152 -15.919 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -13.562 21.595 -16.424 1.00 0.00 H new ATOM 1826 N HIS A 120 -6.351 19.978 -16.559 1.00 0.00 N ATOM 1827 CA HIS A 120 -5.500 19.092 -17.380 1.00 0.00 C ATOM 1828 C HIS A 120 -6.229 17.798 -17.772 1.00 0.00 C ATOM 1829 O HIS A 120 -5.980 16.752 -17.173 1.00 0.00 O ATOM 1830 CB HIS A 120 -4.153 18.758 -16.702 1.00 0.00 C ATOM 1831 CG HIS A 120 -3.114 19.852 -16.570 1.00 0.00 C ATOM 1832 ND1 HIS A 120 -3.223 21.200 -16.888 1.00 0.00 N ATOM 1833 CD2 HIS A 120 -1.827 19.618 -16.166 1.00 0.00 C ATOM 1834 CE1 HIS A 120 -2.028 21.773 -16.630 1.00 0.00 C ATOM 1835 NE2 HIS A 120 -1.169 20.830 -16.201 1.00 0.00 N ATOM 0 H HIS A 120 -6.046 20.949 -16.633 1.00 0.00 H new ATOM 0 HA HIS A 120 -5.281 19.655 -18.287 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -4.370 18.386 -15.701 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -3.699 17.936 -17.256 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -1.407 18.666 -15.875 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -1.798 22.821 -16.749 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -0.194 20.985 -15.945 1.00 0.00 H new ATOM 1844 N HIS A 121 -7.146 17.867 -18.738 1.00 0.00 N ATOM 1845 CA HIS A 121 -7.842 16.694 -19.253 1.00 0.00 C ATOM 1846 C HIS A 121 -6.815 15.856 -20.005 1.00 0.00 C ATOM 1847 O HIS A 121 -6.478 16.205 -21.139 1.00 0.00 O ATOM 1848 CB HIS A 121 -9.024 17.123 -20.130 1.00 0.00 C ATOM 1849 CG HIS A 121 -9.781 15.959 -20.723 1.00 0.00 C ATOM 1850 ND1 HIS A 121 -9.402 15.180 -21.807 1.00 0.00 N ATOM 1851 CD2 HIS A 121 -10.989 15.503 -20.276 1.00 0.00 C ATOM 1852 CE1 HIS A 121 -10.385 14.293 -22.032 1.00 0.00 C ATOM 1853 NE2 HIS A 121 -11.346 14.453 -21.100 1.00 0.00 N ATOM 0 H HIS A 121 -7.425 18.741 -19.184 1.00 0.00 H new ATOM 0 HA HIS A 121 -8.270 16.092 -18.451 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -9.709 17.727 -19.535 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -8.657 17.758 -20.937 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -11.555 15.888 -19.441 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -10.403 13.567 -22.832 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -12.194 13.893 -21.017 1.00 0.00 H new ATOM 1862 N GLU A 122 -6.289 14.814 -19.364 1.00 0.00 N ATOM 1863 CA GLU A 122 -5.106 14.053 -19.748 1.00 0.00 C ATOM 1864 C GLU A 122 -3.939 15.015 -20.009 1.00 0.00 C ATOM 1865 O GLU A 122 -3.263 15.391 -19.046 1.00 0.00 O ATOM 1866 CB GLU A 122 -5.448 13.053 -20.859 1.00 0.00 C ATOM 1867 CG GLU A 122 -6.316 11.903 -20.318 1.00 0.00 C ATOM 1868 CD GLU A 122 -7.441 11.554 -21.290 1.00 0.00 C ATOM 1869 OE1 GLU A 122 -7.185 10.787 -22.245 1.00 0.00 O ATOM 1870 OE2 GLU A 122 -8.567 12.067 -21.087 1.00 0.00 O ATOM 0 H GLU A 122 -6.708 14.457 -18.505 1.00 0.00 H new ATOM 0 HA GLU A 122 -4.754 13.415 -18.937 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -5.976 13.565 -21.664 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -4.530 12.650 -21.286 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -5.694 11.024 -20.147 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -6.740 12.186 -19.354 1.00 0.00 H new ATOM 1877 N HIS A 123 -3.747 15.488 -21.247 1.00 0.00 N ATOM 1878 CA HIS A 123 -2.633 16.323 -21.698 1.00 0.00 C ATOM 1879 C HIS A 123 -1.372 15.466 -21.674 1.00 0.00 C ATOM 1880 O HIS A 123 -0.531 15.585 -20.775 1.00 0.00 O ATOM 1881 CB HIS A 123 -2.545 17.636 -20.894 1.00 0.00 C ATOM 1882 CG HIS A 123 -1.828 18.757 -21.603 1.00 0.00 C ATOM 1883 ND1 HIS A 123 -0.471 19.046 -21.555 1.00 0.00 N ATOM 1884 CD2 HIS A 123 -2.438 19.697 -22.387 1.00 0.00 C ATOM 1885 CE1 HIS A 123 -0.267 20.155 -22.290 1.00 0.00 C ATOM 1886 NE2 HIS A 123 -1.447 20.564 -22.800 1.00 0.00 N ATOM 0 H HIS A 123 -4.403 15.285 -22.001 1.00 0.00 H new ATOM 0 HA HIS A 123 -2.782 16.664 -22.723 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -3.555 17.965 -20.649 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -2.037 17.436 -19.951 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -3.488 19.750 -22.634 1.00 0.00 H new ATOM 0 HE1 HIS A 123 0.686 20.639 -22.446 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -1.584 21.381 -23.394 1.00 0.00 H new ATOM 1895 N HIS A 124 -1.270 14.561 -22.638 1.00 0.00 N ATOM 1896 CA HIS A 124 -0.217 13.574 -22.783 1.00 0.00 C ATOM 1897 C HIS A 124 -0.017 13.369 -24.279 1.00 0.00 C ATOM 1898 O HIS A 124 -0.833 13.914 -25.049 1.00 0.00 O ATOM 1899 CB HIS A 124 -0.634 12.261 -22.097 1.00 0.00 C ATOM 1900 CG HIS A 124 -1.541 11.396 -22.940 1.00 0.00 C ATOM 1901 ND1 HIS A 124 -2.709 11.788 -23.577 1.00 0.00 N ATOM 1902 CD2 HIS A 124 -1.204 10.154 -23.398 1.00 0.00 C ATOM 1903 CE1 HIS A 124 -3.059 10.798 -24.416 1.00 0.00 C ATOM 1904 NE2 HIS A 124 -2.170 9.795 -24.314 1.00 0.00 N ATOM 0 H HIS A 124 -1.964 14.495 -23.383 1.00 0.00 H new ATOM 0 HA HIS A 124 0.711 13.903 -22.315 1.00 0.00 H new ATOM 0 HB2 HIS A 124 0.262 11.694 -21.844 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -1.139 12.496 -21.160 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -0.347 9.567 -23.100 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -3.919 10.807 -25.069 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -2.204 8.915 -24.829 1.00 0.00 H new TER 1913 HIS A 124