USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 913 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 31 GLN : amide:sc= -0.466 X(o=-1.1,f=-0.72) USER MOD Set 1.2: A 89 GLN : amide:sc= -0.651 X(o=-1.1,f=-0.72) USER MOD Set 2.1: A 56 THR OG1 : rot -149:sc= 0.392 USER MOD Set 2.2: A 58 ASN : amide:sc= -0.407 K(o=-0.015,f=-5.5!) USER MOD Set 3.1: A 6 THR OG1 : rot -21:sc= 0.241 USER MOD Set 3.2: A 38 HIS : no HD1:sc= -0.0972 X(o=0.14,f=-0.13) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -155:sc= 2.41 (180deg=1.35) USER MOD Single : A 2 THR OG1 : rot -23:sc= 0.25 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 7 SER OG : rot -118:sc= -1.21 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -1.59 K(o=-1.6,f=-2.2!) USER MOD Single : A 10 MET CE :methyl -147:sc= -0.216 (180deg=-1.05) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.336 USER MOD Single : A 18 GLN : amide:sc= -0.684 X(o=-0.68,f=-0.39) USER MOD Single : A 19 HIS : no HD1:sc= -4.52 X(o=-4.5,f=-4.7!) USER MOD Single : A 26 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0378) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 52:sc= 0.859 USER MOD Single : A 33 HIS : no HE2:sc= -1.26 K(o=-1.3,f=-2.6!) USER MOD Single : A 36 ASN :FLIP amide:sc= -0.0184 F(o=-1.4,f=-0.018) USER MOD Single : A 42 SER OG : rot 150:sc= -1.04 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.315 X(o=-0.31,f=-0.12) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN :FLIP amide:sc= -2.21! C(o=-4.3!,f=-2.2!) USER MOD Single : A 64 SER OG : rot 73:sc= 0.0632 USER MOD Single : A 66 LYS NZ :NH3+ 168:sc= -0.643 (180deg=-0.763) USER MOD Single : A 67 HIS : no HE2:sc= -1.53 K(o=-1.5,f=-4.6!) USER MOD Single : A 70 MET CE :methyl -121:sc= 0 (180deg=-0.0267) USER MOD Single : A 71 TYR OH : rot 180:sc= -0.0402 USER MOD Single : A 72 THR OG1 : rot -164:sc= -2.46 USER MOD Single : A 75 ASN : amide:sc= 1.15 K(o=1.2,f=-0.33) USER MOD Single : A 79 ASN :FLIP amide:sc= -1.52 F(o=-2.9,f=-1.5) USER MOD Single : A 80 LYS NZ :NH3+ -123:sc= 0.459 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.251 X(o=-0.25,f=0) USER MOD Single : A 86 ASN : amide:sc= -1.35 K(o=-1.4,f=-3.8!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 156:sc= -1.14 (180deg=-1.97!) USER MOD Single : A 99 THR OG1 : rot -65:sc= -0.256 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -123:sc= 0.0749 (180deg=-0.722) USER MOD Single : A 105 ASN : amide:sc= 0.45 X(o=0.45,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 186.926 -0.148 -7.328 1.00 0.00 N ATOM 2 CA MET A 1 185.620 -0.701 -6.868 1.00 0.00 C ATOM 3 C MET A 1 184.880 -1.404 -8.006 1.00 0.00 C ATOM 4 O MET A 1 184.910 -0.954 -9.152 1.00 0.00 O ATOM 5 CB MET A 1 184.769 0.447 -6.311 1.00 0.00 C ATOM 6 CG MET A 1 184.282 1.429 -7.366 1.00 0.00 C ATOM 7 SD MET A 1 185.535 2.645 -7.817 1.00 0.00 S ATOM 8 CE MET A 1 185.462 2.557 -9.605 1.00 0.00 C ATOM 0 H1 MET A 1 187.573 -0.066 -6.518 1.00 0.00 H new ATOM 0 H2 MET A 1 187.341 -0.783 -8.040 1.00 0.00 H new ATOM 0 H3 MET A 1 186.777 0.792 -7.748 1.00 0.00 H new ATOM 0 HA MET A 1 185.804 -1.444 -6.091 1.00 0.00 H new ATOM 0 HB2 MET A 1 183.906 0.027 -5.795 1.00 0.00 H new ATOM 0 HB3 MET A 1 185.352 0.989 -5.567 1.00 0.00 H new ATOM 0 HG2 MET A 1 183.979 0.878 -8.257 1.00 0.00 H new ATOM 0 HG3 MET A 1 183.397 1.946 -6.994 1.00 0.00 H new ATOM 0 HE1 MET A 1 186.182 3.254 -10.033 1.00 0.00 H new ATOM 0 HE2 MET A 1 185.700 1.544 -9.929 1.00 0.00 H new ATOM 0 HE3 MET A 1 184.459 2.819 -9.942 1.00 0.00 H new ATOM 20 N THR A 2 184.215 -2.509 -7.679 1.00 0.00 N ATOM 21 CA THR A 2 183.465 -3.274 -8.673 1.00 0.00 C ATOM 22 C THR A 2 181.966 -3.265 -8.368 1.00 0.00 C ATOM 23 O THR A 2 181.153 -3.666 -9.202 1.00 0.00 O ATOM 24 CB THR A 2 183.975 -4.715 -8.729 1.00 0.00 C ATOM 25 OG1 THR A 2 183.347 -5.429 -9.780 1.00 0.00 O ATOM 26 CG2 THR A 2 183.740 -5.485 -7.447 1.00 0.00 C ATOM 0 H THR A 2 184.180 -2.895 -6.735 1.00 0.00 H new ATOM 0 HA THR A 2 183.618 -2.799 -9.642 1.00 0.00 H new ATOM 0 HB THR A 2 185.050 -4.634 -8.893 1.00 0.00 H new ATOM 0 HG1 THR A 2 182.495 -5.000 -10.003 1.00 0.00 H new ATOM 0 HG21 THR A 2 184.126 -6.499 -7.556 1.00 0.00 H new ATOM 0 HG22 THR A 2 184.254 -4.988 -6.624 1.00 0.00 H new ATOM 0 HG23 THR A 2 182.671 -5.524 -7.237 1.00 0.00 H new ATOM 34 N MET A 3 181.605 -2.804 -7.171 1.00 0.00 N ATOM 35 CA MET A 3 180.203 -2.742 -6.758 1.00 0.00 C ATOM 36 C MET A 3 179.659 -4.131 -6.440 1.00 0.00 C ATOM 37 O MET A 3 179.082 -4.794 -7.300 1.00 0.00 O ATOM 38 CB MET A 3 179.348 -2.083 -7.843 1.00 0.00 C ATOM 39 CG MET A 3 178.092 -1.419 -7.303 1.00 0.00 C ATOM 40 SD MET A 3 176.786 -1.295 -8.539 1.00 0.00 S ATOM 41 CE MET A 3 175.976 0.218 -8.026 1.00 0.00 C ATOM 0 H MET A 3 182.265 -2.468 -6.469 1.00 0.00 H new ATOM 0 HA MET A 3 180.153 -2.137 -5.852 1.00 0.00 H new ATOM 0 HB2 MET A 3 179.948 -1.338 -8.365 1.00 0.00 H new ATOM 0 HB3 MET A 3 179.064 -2.836 -8.578 1.00 0.00 H new ATOM 0 HG2 MET A 3 177.725 -1.986 -6.448 1.00 0.00 H new ATOM 0 HG3 MET A 3 178.340 -0.421 -6.941 1.00 0.00 H new ATOM 0 HE1 MET A 3 175.143 0.430 -8.696 1.00 0.00 H new ATOM 0 HE2 MET A 3 175.603 0.104 -7.008 1.00 0.00 H new ATOM 0 HE3 MET A 3 176.689 1.042 -8.061 1.00 0.00 H new ATOM 51 N ASN A 4 179.842 -4.562 -5.195 1.00 0.00 N ATOM 52 CA ASN A 4 179.365 -5.869 -4.759 1.00 0.00 C ATOM 53 C ASN A 4 178.089 -5.730 -3.933 1.00 0.00 C ATOM 54 O ASN A 4 177.908 -4.744 -3.217 1.00 0.00 O ATOM 55 CB ASN A 4 180.445 -6.584 -3.939 1.00 0.00 C ATOM 56 CG ASN A 4 180.939 -7.849 -4.613 1.00 0.00 C ATOM 57 OD1 ASN A 4 180.161 -8.756 -4.906 1.00 0.00 O ATOM 58 ND2 ASN A 4 182.242 -7.914 -4.863 1.00 0.00 N ATOM 0 H ASN A 4 180.318 -4.024 -4.471 1.00 0.00 H new ATOM 0 HA ASN A 4 179.142 -6.463 -5.645 1.00 0.00 H new ATOM 0 HB2 ASN A 4 181.285 -5.908 -3.781 1.00 0.00 H new ATOM 0 HB3 ASN A 4 180.046 -6.832 -2.955 1.00 0.00 H new ATOM 0 HD21 ASN A 4 182.634 -8.740 -5.315 1.00 0.00 H new ATOM 0 HD22 ASN A 4 182.851 -7.138 -4.603 1.00 0.00 H new ATOM 65 N ILE A 5 177.207 -6.718 -4.038 1.00 0.00 N ATOM 66 CA ILE A 5 175.949 -6.697 -3.299 1.00 0.00 C ATOM 67 C ILE A 5 175.489 -8.107 -2.944 1.00 0.00 C ATOM 68 O ILE A 5 175.632 -9.036 -3.737 1.00 0.00 O ATOM 69 CB ILE A 5 174.837 -5.994 -4.101 1.00 0.00 C ATOM 70 CG1 ILE A 5 175.337 -4.651 -4.638 1.00 0.00 C ATOM 71 CG2 ILE A 5 173.603 -5.798 -3.235 1.00 0.00 C ATOM 72 CD1 ILE A 5 174.299 -3.897 -5.439 1.00 0.00 C ATOM 0 H ILE A 5 177.339 -7.541 -4.626 1.00 0.00 H new ATOM 0 HA ILE A 5 176.135 -6.139 -2.381 1.00 0.00 H new ATOM 0 HB ILE A 5 174.566 -6.624 -4.948 1.00 0.00 H new ATOM 0 HG12 ILE A 5 175.659 -4.031 -3.801 1.00 0.00 H new ATOM 0 HG13 ILE A 5 176.213 -4.822 -5.263 1.00 0.00 H new ATOM 0 HG21 ILE A 5 172.826 -5.300 -3.816 1.00 0.00 H new ATOM 0 HG22 ILE A 5 173.238 -6.768 -2.897 1.00 0.00 H new ATOM 0 HG23 ILE A 5 173.859 -5.185 -2.371 1.00 0.00 H new ATOM 0 HD11 ILE A 5 174.722 -2.955 -5.788 1.00 0.00 H new ATOM 0 HD12 ILE A 5 173.994 -4.497 -6.296 1.00 0.00 H new ATOM 0 HD13 ILE A 5 173.432 -3.694 -4.811 1.00 0.00 H new ATOM 84 N THR A 6 174.934 -8.255 -1.745 1.00 0.00 N ATOM 85 CA THR A 6 174.448 -9.549 -1.280 1.00 0.00 C ATOM 86 C THR A 6 173.453 -9.371 -0.134 1.00 0.00 C ATOM 87 O THR A 6 173.778 -9.617 1.028 1.00 0.00 O ATOM 88 CB THR A 6 175.616 -10.425 -0.827 1.00 0.00 C ATOM 89 OG1 THR A 6 176.599 -10.516 -1.844 1.00 0.00 O ATOM 90 CG2 THR A 6 175.200 -11.834 -0.464 1.00 0.00 C ATOM 0 H THR A 6 174.810 -7.494 -1.077 1.00 0.00 H new ATOM 0 HA THR A 6 173.939 -10.040 -2.109 1.00 0.00 H new ATOM 0 HB THR A 6 176.014 -9.939 0.064 1.00 0.00 H new ATOM 0 HG1 THR A 6 176.195 -10.298 -2.710 1.00 0.00 H new ATOM 0 HG21 THR A 6 176.076 -12.403 -0.151 1.00 0.00 H new ATOM 0 HG22 THR A 6 174.478 -11.801 0.352 1.00 0.00 H new ATOM 0 HG23 THR A 6 174.746 -12.314 -1.331 1.00 0.00 H new ATOM 98 N SER A 7 172.243 -8.938 -0.472 1.00 0.00 N ATOM 99 CA SER A 7 171.201 -8.722 0.524 1.00 0.00 C ATOM 100 C SER A 7 170.561 -10.038 0.946 1.00 0.00 C ATOM 101 O SER A 7 170.598 -11.024 0.209 1.00 0.00 O ATOM 102 CB SER A 7 170.134 -7.773 -0.025 1.00 0.00 C ATOM 103 OG SER A 7 170.606 -6.437 -0.048 1.00 0.00 O ATOM 0 H SER A 7 171.960 -8.730 -1.430 1.00 0.00 H new ATOM 0 HA SER A 7 171.663 -8.272 1.402 1.00 0.00 H new ATOM 0 HB2 SER A 7 169.852 -8.080 -1.032 1.00 0.00 H new ATOM 0 HB3 SER A 7 169.236 -7.835 0.590 1.00 0.00 H new ATOM 0 HG SER A 7 170.046 -5.882 0.534 1.00 0.00 H new ATOM 109 N LYS A 8 169.976 -10.050 2.140 1.00 0.00 N ATOM 110 CA LYS A 8 169.329 -11.247 2.663 1.00 0.00 C ATOM 111 C LYS A 8 167.809 -11.091 2.665 1.00 0.00 C ATOM 112 O LYS A 8 167.278 -10.108 3.180 1.00 0.00 O ATOM 113 CB LYS A 8 169.828 -11.540 4.081 1.00 0.00 C ATOM 114 CG LYS A 8 170.411 -12.935 4.244 1.00 0.00 C ATOM 115 CD LYS A 8 169.403 -14.008 3.870 1.00 0.00 C ATOM 116 CE LYS A 8 170.068 -15.170 3.147 1.00 0.00 C ATOM 117 NZ LYS A 8 169.070 -16.127 2.595 1.00 0.00 N ATOM 0 H LYS A 8 169.937 -9.243 2.763 1.00 0.00 H new ATOM 0 HA LYS A 8 169.586 -12.084 2.013 1.00 0.00 H new ATOM 0 HB2 LYS A 8 170.586 -10.805 4.350 1.00 0.00 H new ATOM 0 HB3 LYS A 8 169.002 -11.416 4.781 1.00 0.00 H new ATOM 0 HG2 LYS A 8 171.298 -13.035 3.619 1.00 0.00 H new ATOM 0 HG3 LYS A 8 170.730 -13.078 5.276 1.00 0.00 H new ATOM 0 HD2 LYS A 8 168.908 -14.373 4.770 1.00 0.00 H new ATOM 0 HD3 LYS A 8 168.630 -13.577 3.234 1.00 0.00 H new ATOM 0 HE2 LYS A 8 170.689 -14.786 2.337 1.00 0.00 H new ATOM 0 HE3 LYS A 8 170.731 -15.694 3.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 169.564 -16.903 2.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 168.494 -16.513 3.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 168.453 -15.634 1.918 1.00 0.00 H new ATOM 131 N GLN A 9 167.121 -12.071 2.089 1.00 0.00 N ATOM 132 CA GLN A 9 165.661 -12.054 2.022 1.00 0.00 C ATOM 133 C GLN A 9 165.166 -10.939 1.104 1.00 0.00 C ATOM 134 O GLN A 9 164.639 -11.200 0.023 1.00 0.00 O ATOM 135 CB GLN A 9 165.053 -11.875 3.417 1.00 0.00 C ATOM 136 CG GLN A 9 165.784 -12.639 4.513 1.00 0.00 C ATOM 137 CD GLN A 9 166.269 -11.737 5.634 1.00 0.00 C ATOM 138 OE1 GLN A 9 167.355 -11.936 6.178 1.00 0.00 O ATOM 139 NE2 GLN A 9 165.464 -10.740 5.988 1.00 0.00 N ATOM 0 H GLN A 9 167.551 -12.890 1.660 1.00 0.00 H new ATOM 0 HA GLN A 9 165.342 -13.013 1.614 1.00 0.00 H new ATOM 0 HB2 GLN A 9 165.050 -10.814 3.668 1.00 0.00 H new ATOM 0 HB3 GLN A 9 164.013 -12.200 3.393 1.00 0.00 H new ATOM 0 HG2 GLN A 9 165.120 -13.399 4.925 1.00 0.00 H new ATOM 0 HG3 GLN A 9 166.636 -13.162 4.079 1.00 0.00 H new ATOM 0 HE21 GLN A 9 164.572 -10.611 5.511 1.00 0.00 H new ATOM 0 HE22 GLN A 9 165.738 -10.104 6.737 1.00 0.00 H new ATOM 148 N MET A 10 165.334 -9.697 1.548 1.00 0.00 N ATOM 149 CA MET A 10 164.900 -8.542 0.774 1.00 0.00 C ATOM 150 C MET A 10 165.911 -8.205 -0.319 1.00 0.00 C ATOM 151 O MET A 10 167.089 -7.978 -0.042 1.00 0.00 O ATOM 152 CB MET A 10 164.698 -7.338 1.699 1.00 0.00 C ATOM 153 CG MET A 10 164.408 -6.037 0.963 1.00 0.00 C ATOM 154 SD MET A 10 162.829 -5.305 1.432 1.00 0.00 S ATOM 155 CE MET A 10 161.718 -6.677 1.133 1.00 0.00 C ATOM 0 H MET A 10 165.768 -9.466 2.441 1.00 0.00 H new ATOM 0 HA MET A 10 163.952 -8.787 0.294 1.00 0.00 H new ATOM 0 HB2 MET A 10 163.874 -7.550 2.381 1.00 0.00 H new ATOM 0 HB3 MET A 10 165.591 -7.207 2.310 1.00 0.00 H new ATOM 0 HG2 MET A 10 165.208 -5.325 1.165 1.00 0.00 H new ATOM 0 HG3 MET A 10 164.412 -6.224 -0.111 1.00 0.00 H new ATOM 0 HE1 MET A 10 160.751 -6.297 0.802 1.00 0.00 H new ATOM 0 HE2 MET A 10 162.137 -7.323 0.362 1.00 0.00 H new ATOM 0 HE3 MET A 10 161.588 -7.247 2.053 1.00 0.00 H new ATOM 165 N GLU A 11 165.439 -8.172 -1.562 1.00 0.00 N ATOM 166 CA GLU A 11 166.297 -7.860 -2.698 1.00 0.00 C ATOM 167 C GLU A 11 166.630 -6.373 -2.731 1.00 0.00 C ATOM 168 O GLU A 11 166.304 -5.633 -1.802 1.00 0.00 O ATOM 169 CB GLU A 11 165.617 -8.273 -4.005 1.00 0.00 C ATOM 170 CG GLU A 11 164.347 -7.492 -4.304 1.00 0.00 C ATOM 171 CD GLU A 11 163.822 -7.748 -5.703 1.00 0.00 C ATOM 172 OE1 GLU A 11 164.443 -7.257 -6.670 1.00 0.00 O ATOM 173 OE2 GLU A 11 162.789 -8.438 -5.832 1.00 0.00 O ATOM 0 H GLU A 11 164.466 -8.358 -1.807 1.00 0.00 H new ATOM 0 HA GLU A 11 167.225 -8.420 -2.588 1.00 0.00 H new ATOM 0 HB2 GLU A 11 166.319 -8.138 -4.828 1.00 0.00 H new ATOM 0 HB3 GLU A 11 165.378 -9.336 -3.961 1.00 0.00 H new ATOM 0 HG2 GLU A 11 163.580 -7.760 -3.577 1.00 0.00 H new ATOM 0 HG3 GLU A 11 164.543 -6.427 -4.182 1.00 0.00 H new ATOM 180 N ILE A 12 167.280 -5.937 -3.804 1.00 0.00 N ATOM 181 CA ILE A 12 167.655 -4.535 -3.953 1.00 0.00 C ATOM 182 C ILE A 12 166.654 -3.791 -4.830 1.00 0.00 C ATOM 183 O ILE A 12 166.502 -4.096 -6.014 1.00 0.00 O ATOM 184 CB ILE A 12 169.066 -4.380 -4.557 1.00 0.00 C ATOM 185 CG1 ILE A 12 169.986 -5.509 -4.087 1.00 0.00 C ATOM 186 CG2 ILE A 12 169.652 -3.027 -4.182 1.00 0.00 C ATOM 187 CD1 ILE A 12 170.055 -5.645 -2.583 1.00 0.00 C ATOM 0 H ILE A 12 167.558 -6.533 -4.583 1.00 0.00 H new ATOM 0 HA ILE A 12 167.654 -4.104 -2.952 1.00 0.00 H new ATOM 0 HB ILE A 12 168.984 -4.439 -5.642 1.00 0.00 H new ATOM 0 HG12 ILE A 12 169.639 -6.450 -4.513 1.00 0.00 H new ATOM 0 HG13 ILE A 12 170.990 -5.334 -4.474 1.00 0.00 H new ATOM 0 HG21 ILE A 12 170.648 -2.929 -4.614 1.00 0.00 H new ATOM 0 HG22 ILE A 12 169.011 -2.234 -4.566 1.00 0.00 H new ATOM 0 HG23 ILE A 12 169.718 -2.947 -3.097 1.00 0.00 H new ATOM 0 HD11 ILE A 12 170.725 -6.464 -2.322 1.00 0.00 H new ATOM 0 HD12 ILE A 12 170.430 -4.718 -2.151 1.00 0.00 H new ATOM 0 HD13 ILE A 12 169.059 -5.851 -2.190 1.00 0.00 H new ATOM 199 N THR A 13 165.973 -2.814 -4.241 1.00 0.00 N ATOM 200 CA THR A 13 164.986 -2.024 -4.966 1.00 0.00 C ATOM 201 C THR A 13 165.663 -0.941 -5.803 1.00 0.00 C ATOM 202 O THR A 13 166.779 -0.518 -5.496 1.00 0.00 O ATOM 203 CB THR A 13 163.998 -1.387 -3.986 1.00 0.00 C ATOM 204 OG1 THR A 13 164.635 -0.382 -3.216 1.00 0.00 O ATOM 205 CG2 THR A 13 163.385 -2.380 -3.024 1.00 0.00 C ATOM 0 H THR A 13 166.087 -2.550 -3.262 1.00 0.00 H new ATOM 0 HA THR A 13 164.444 -2.689 -5.638 1.00 0.00 H new ATOM 0 HB THR A 13 163.205 -0.969 -4.606 1.00 0.00 H new ATOM 0 HG1 THR A 13 163.988 0.015 -2.597 1.00 0.00 H new ATOM 0 HG21 THR A 13 162.695 -1.863 -2.358 1.00 0.00 H new ATOM 0 HG22 THR A 13 162.845 -3.143 -3.584 1.00 0.00 H new ATOM 0 HG23 THR A 13 164.173 -2.851 -2.436 1.00 0.00 H new ATOM 213 N PRO A 14 164.997 -0.473 -6.872 1.00 0.00 N ATOM 214 CA PRO A 14 165.540 0.567 -7.750 1.00 0.00 C ATOM 215 C PRO A 14 166.007 1.793 -6.973 1.00 0.00 C ATOM 216 O PRO A 14 166.956 2.469 -7.369 1.00 0.00 O ATOM 217 CB PRO A 14 164.363 0.928 -8.673 1.00 0.00 C ATOM 218 CG PRO A 14 163.161 0.285 -8.062 1.00 0.00 C ATOM 219 CD PRO A 14 163.666 -0.911 -7.312 1.00 0.00 C ATOM 0 HA PRO A 14 166.420 0.218 -8.290 1.00 0.00 H new ATOM 0 HB2 PRO A 14 164.237 2.008 -8.743 1.00 0.00 H new ATOM 0 HB3 PRO A 14 164.532 0.561 -9.685 1.00 0.00 H new ATOM 0 HG2 PRO A 14 162.647 0.976 -7.394 1.00 0.00 H new ATOM 0 HG3 PRO A 14 162.444 -0.010 -8.829 1.00 0.00 H new ATOM 0 HD2 PRO A 14 163.023 -1.162 -6.469 1.00 0.00 H new ATOM 0 HD3 PRO A 14 163.719 -1.795 -7.947 1.00 0.00 H new ATOM 227 N ALA A 15 165.333 2.073 -5.862 1.00 0.00 N ATOM 228 CA ALA A 15 165.681 3.216 -5.027 1.00 0.00 C ATOM 229 C ALA A 15 166.989 2.971 -4.283 1.00 0.00 C ATOM 230 O ALA A 15 167.924 3.768 -4.371 1.00 0.00 O ATOM 231 CB ALA A 15 164.559 3.512 -4.044 1.00 0.00 C ATOM 0 H ALA A 15 164.544 1.525 -5.520 1.00 0.00 H new ATOM 0 HA ALA A 15 165.818 4.082 -5.675 1.00 0.00 H new ATOM 0 HB1 ALA A 15 164.832 4.368 -3.427 1.00 0.00 H new ATOM 0 HB2 ALA A 15 163.645 3.738 -4.593 1.00 0.00 H new ATOM 0 HB3 ALA A 15 164.395 2.643 -3.407 1.00 0.00 H new ATOM 237 N ILE A 16 167.047 1.864 -3.550 1.00 0.00 N ATOM 238 CA ILE A 16 168.241 1.514 -2.788 1.00 0.00 C ATOM 239 C ILE A 16 169.455 1.364 -3.702 1.00 0.00 C ATOM 240 O ILE A 16 170.539 1.859 -3.392 1.00 0.00 O ATOM 241 CB ILE A 16 168.033 0.207 -1.993 1.00 0.00 C ATOM 242 CG1 ILE A 16 166.854 0.355 -1.029 1.00 0.00 C ATOM 243 CG2 ILE A 16 169.298 -0.167 -1.232 1.00 0.00 C ATOM 244 CD1 ILE A 16 166.517 -0.919 -0.286 1.00 0.00 C ATOM 0 H ILE A 16 166.282 1.194 -3.467 1.00 0.00 H new ATOM 0 HA ILE A 16 168.424 2.329 -2.088 1.00 0.00 H new ATOM 0 HB ILE A 16 167.809 -0.593 -2.698 1.00 0.00 H new ATOM 0 HG12 ILE A 16 167.082 1.138 -0.306 1.00 0.00 H new ATOM 0 HG13 ILE A 16 165.977 0.683 -1.588 1.00 0.00 H new ATOM 0 HG21 ILE A 16 169.130 -1.091 -0.679 1.00 0.00 H new ATOM 0 HG22 ILE A 16 170.117 -0.310 -1.936 1.00 0.00 H new ATOM 0 HG23 ILE A 16 169.553 0.632 -0.536 1.00 0.00 H new ATOM 0 HD11 ILE A 16 165.672 -0.740 0.379 1.00 0.00 H new ATOM 0 HD12 ILE A 16 166.257 -1.699 -1.001 1.00 0.00 H new ATOM 0 HD13 ILE A 16 167.379 -1.237 0.300 1.00 0.00 H new ATOM 256 N ARG A 17 169.271 0.678 -4.826 1.00 0.00 N ATOM 257 CA ARG A 17 170.360 0.469 -5.774 1.00 0.00 C ATOM 258 C ARG A 17 170.863 1.800 -6.327 1.00 0.00 C ATOM 259 O ARG A 17 172.059 1.970 -6.566 1.00 0.00 O ATOM 260 CB ARG A 17 169.909 -0.454 -6.915 1.00 0.00 C ATOM 261 CG ARG A 17 169.195 0.259 -8.056 1.00 0.00 C ATOM 262 CD ARG A 17 168.837 -0.709 -9.172 1.00 0.00 C ATOM 263 NE ARG A 17 169.992 -1.025 -10.013 1.00 0.00 N ATOM 264 CZ ARG A 17 170.280 -2.246 -10.463 1.00 0.00 C ATOM 265 NH1 ARG A 17 169.498 -3.279 -10.167 1.00 0.00 N ATOM 266 NH2 ARG A 17 171.355 -2.435 -11.215 1.00 0.00 N ATOM 0 H ARG A 17 168.383 0.259 -5.102 1.00 0.00 H new ATOM 0 HA ARG A 17 171.184 -0.011 -5.246 1.00 0.00 H new ATOM 0 HB2 ARG A 17 170.782 -0.970 -7.315 1.00 0.00 H new ATOM 0 HB3 ARG A 17 169.246 -1.217 -6.508 1.00 0.00 H new ATOM 0 HG2 ARG A 17 168.290 0.736 -7.680 1.00 0.00 H new ATOM 0 HG3 ARG A 17 169.833 1.051 -8.449 1.00 0.00 H new ATOM 0 HD2 ARG A 17 168.439 -1.628 -8.741 1.00 0.00 H new ATOM 0 HD3 ARG A 17 168.047 -0.278 -9.787 1.00 0.00 H new ATOM 0 HE ARG A 17 170.617 -0.262 -10.272 1.00 0.00 H new ATOM 0 HH11 ARG A 17 168.668 -3.142 -9.590 1.00 0.00 H new ATOM 0 HH12 ARG A 17 169.728 -4.209 -10.517 1.00 0.00 H new ATOM 0 HH21 ARG A 17 171.959 -1.647 -11.448 1.00 0.00 H new ATOM 0 HH22 ARG A 17 171.578 -3.368 -11.561 1.00 0.00 H new ATOM 280 N GLN A 18 169.944 2.738 -6.527 1.00 0.00 N ATOM 281 CA GLN A 18 170.295 4.052 -7.051 1.00 0.00 C ATOM 282 C GLN A 18 171.045 4.875 -6.008 1.00 0.00 C ATOM 283 O GLN A 18 171.929 5.662 -6.342 1.00 0.00 O ATOM 284 CB GLN A 18 169.037 4.798 -7.496 1.00 0.00 C ATOM 285 CG GLN A 18 169.315 5.936 -8.466 1.00 0.00 C ATOM 286 CD GLN A 18 170.093 5.485 -9.686 1.00 0.00 C ATOM 287 OE1 GLN A 18 169.514 5.044 -10.678 1.00 0.00 O ATOM 288 NE2 GLN A 18 171.415 5.593 -9.618 1.00 0.00 N ATOM 0 H GLN A 18 168.950 2.613 -6.334 1.00 0.00 H new ATOM 0 HA GLN A 18 170.949 3.908 -7.911 1.00 0.00 H new ATOM 0 HB2 GLN A 18 168.352 4.091 -7.965 1.00 0.00 H new ATOM 0 HB3 GLN A 18 168.531 5.197 -6.617 1.00 0.00 H new ATOM 0 HG2 GLN A 18 168.370 6.376 -8.785 1.00 0.00 H new ATOM 0 HG3 GLN A 18 169.874 6.718 -7.952 1.00 0.00 H new ATOM 0 HE21 GLN A 18 171.854 5.964 -8.775 1.00 0.00 H new ATOM 0 HE22 GLN A 18 171.992 5.305 -10.408 1.00 0.00 H new ATOM 297 N HIS A 19 170.682 4.689 -4.742 1.00 0.00 N ATOM 298 CA HIS A 19 171.320 5.415 -3.651 1.00 0.00 C ATOM 299 C HIS A 19 172.772 4.982 -3.478 1.00 0.00 C ATOM 300 O HIS A 19 173.684 5.808 -3.503 1.00 0.00 O ATOM 301 CB HIS A 19 170.547 5.199 -2.347 1.00 0.00 C ATOM 302 CG HIS A 19 169.832 6.423 -1.867 1.00 0.00 C ATOM 303 ND1 HIS A 19 169.017 7.186 -2.679 1.00 0.00 N ATOM 304 CD2 HIS A 19 169.809 7.019 -0.651 1.00 0.00 C ATOM 305 CE1 HIS A 19 168.527 8.197 -1.982 1.00 0.00 C ATOM 306 NE2 HIS A 19 168.991 8.117 -0.750 1.00 0.00 N ATOM 0 H HIS A 19 169.950 4.042 -4.448 1.00 0.00 H new ATOM 0 HA HIS A 19 171.309 6.476 -3.900 1.00 0.00 H new ATOM 0 HB2 HIS A 19 169.822 4.398 -2.492 1.00 0.00 H new ATOM 0 HB3 HIS A 19 171.240 4.866 -1.574 1.00 0.00 H new ATOM 0 HD2 HIS A 19 170.336 6.691 0.233 1.00 0.00 H new ATOM 0 HE1 HIS A 19 167.860 8.959 -2.358 1.00 0.00 H new ATOM 0 HE2 HIS A 19 168.777 8.766 0.007 1.00 0.00 H new ATOM 315 N VAL A 20 172.981 3.680 -3.300 1.00 0.00 N ATOM 316 CA VAL A 20 174.325 3.141 -3.123 1.00 0.00 C ATOM 317 C VAL A 20 175.214 3.475 -4.318 1.00 0.00 C ATOM 318 O VAL A 20 176.401 3.755 -4.163 1.00 0.00 O ATOM 319 CB VAL A 20 174.294 1.612 -2.915 1.00 0.00 C ATOM 320 CG1 VAL A 20 173.978 0.884 -4.215 1.00 0.00 C ATOM 321 CG2 VAL A 20 175.613 1.126 -2.334 1.00 0.00 C ATOM 0 H VAL A 20 172.239 2.981 -3.275 1.00 0.00 H new ATOM 0 HA VAL A 20 174.741 3.608 -2.230 1.00 0.00 H new ATOM 0 HB VAL A 20 173.498 1.386 -2.205 1.00 0.00 H new ATOM 0 HG11 VAL A 20 173.963 -0.191 -4.036 1.00 0.00 H new ATOM 0 HG12 VAL A 20 173.003 1.204 -4.583 1.00 0.00 H new ATOM 0 HG13 VAL A 20 174.741 1.118 -4.958 1.00 0.00 H new ATOM 0 HG21 VAL A 20 175.573 0.046 -2.194 1.00 0.00 H new ATOM 0 HG22 VAL A 20 176.425 1.373 -3.018 1.00 0.00 H new ATOM 0 HG23 VAL A 20 175.788 1.610 -1.373 1.00 0.00 H new ATOM 331 N ALA A 21 174.624 3.442 -5.508 1.00 0.00 N ATOM 332 CA ALA A 21 175.355 3.743 -6.735 1.00 0.00 C ATOM 333 C ALA A 21 175.993 5.128 -6.672 1.00 0.00 C ATOM 334 O ALA A 21 177.208 5.270 -6.821 1.00 0.00 O ATOM 335 CB ALA A 21 174.428 3.638 -7.937 1.00 0.00 C ATOM 0 H ALA A 21 173.641 3.210 -5.650 1.00 0.00 H new ATOM 0 HA ALA A 21 176.156 3.011 -6.841 1.00 0.00 H new ATOM 0 HB1 ALA A 21 174.984 3.865 -8.846 1.00 0.00 H new ATOM 0 HB2 ALA A 21 174.027 2.627 -8.000 1.00 0.00 H new ATOM 0 HB3 ALA A 21 173.608 4.348 -7.827 1.00 0.00 H new ATOM 341 N ASP A 22 175.167 6.146 -6.452 1.00 0.00 N ATOM 342 CA ASP A 22 175.653 7.519 -6.370 1.00 0.00 C ATOM 343 C ASP A 22 176.735 7.654 -5.302 1.00 0.00 C ATOM 344 O ASP A 22 177.762 8.296 -5.523 1.00 0.00 O ATOM 345 CB ASP A 22 174.496 8.474 -6.065 1.00 0.00 C ATOM 346 CG ASP A 22 174.530 9.720 -6.928 1.00 0.00 C ATOM 347 OD1 ASP A 22 175.192 10.702 -6.530 1.00 0.00 O ATOM 348 OD2 ASP A 22 173.897 9.714 -8.004 1.00 0.00 O ATOM 0 H ASP A 22 174.160 6.046 -6.327 1.00 0.00 H new ATOM 0 HA ASP A 22 176.088 7.781 -7.335 1.00 0.00 H new ATOM 0 HB2 ASP A 22 173.550 7.955 -6.219 1.00 0.00 H new ATOM 0 HB3 ASP A 22 174.534 8.762 -5.014 1.00 0.00 H new ATOM 353 N ARG A 23 176.499 7.041 -4.147 1.00 0.00 N ATOM 354 CA ARG A 23 177.455 7.089 -3.047 1.00 0.00 C ATOM 355 C ARG A 23 178.782 6.461 -3.457 1.00 0.00 C ATOM 356 O ARG A 23 179.846 6.880 -2.999 1.00 0.00 O ATOM 357 CB ARG A 23 176.890 6.369 -1.822 1.00 0.00 C ATOM 358 CG ARG A 23 176.218 7.299 -0.826 1.00 0.00 C ATOM 359 CD ARG A 23 175.103 8.101 -1.477 1.00 0.00 C ATOM 360 NE ARG A 23 175.619 9.231 -2.247 1.00 0.00 N ATOM 361 CZ ARG A 23 176.166 10.314 -1.701 1.00 0.00 C ATOM 362 NH1 ARG A 23 176.267 10.420 -0.381 1.00 0.00 N ATOM 363 NH2 ARG A 23 176.612 11.293 -2.474 1.00 0.00 N ATOM 0 H ARG A 23 175.654 6.505 -3.948 1.00 0.00 H new ATOM 0 HA ARG A 23 177.631 8.134 -2.793 1.00 0.00 H new ATOM 0 HB2 ARG A 23 176.169 5.621 -2.151 1.00 0.00 H new ATOM 0 HB3 ARG A 23 177.697 5.835 -1.320 1.00 0.00 H new ATOM 0 HG2 ARG A 23 175.813 6.716 0.001 1.00 0.00 H new ATOM 0 HG3 ARG A 23 176.958 7.979 -0.405 1.00 0.00 H new ATOM 0 HD2 ARG A 23 174.523 7.451 -2.132 1.00 0.00 H new ATOM 0 HD3 ARG A 23 174.423 8.467 -0.708 1.00 0.00 H new ATOM 0 HE ARG A 23 175.556 9.187 -3.264 1.00 0.00 H new ATOM 0 HH11 ARG A 23 175.925 9.669 0.219 1.00 0.00 H new ATOM 0 HH12 ARG A 23 176.687 11.252 0.033 1.00 0.00 H new ATOM 0 HH21 ARG A 23 176.536 11.217 -3.488 1.00 0.00 H new ATOM 0 HH22 ARG A 23 177.031 12.123 -2.055 1.00 0.00 H new ATOM 377 N LEU A 24 178.713 5.457 -4.323 1.00 0.00 N ATOM 378 CA LEU A 24 179.908 4.771 -4.797 1.00 0.00 C ATOM 379 C LEU A 24 180.741 5.689 -5.686 1.00 0.00 C ATOM 380 O LEU A 24 181.970 5.624 -5.684 1.00 0.00 O ATOM 381 CB LEU A 24 179.524 3.506 -5.568 1.00 0.00 C ATOM 382 CG LEU A 24 180.700 2.730 -6.167 1.00 0.00 C ATOM 383 CD1 LEU A 24 181.109 1.586 -5.251 1.00 0.00 C ATOM 384 CD2 LEU A 24 180.345 2.209 -7.552 1.00 0.00 C ATOM 0 H LEU A 24 177.840 5.100 -4.712 1.00 0.00 H new ATOM 0 HA LEU A 24 180.506 4.491 -3.930 1.00 0.00 H new ATOM 0 HB2 LEU A 24 178.975 2.844 -4.899 1.00 0.00 H new ATOM 0 HB3 LEU A 24 178.843 3.782 -6.373 1.00 0.00 H new ATOM 0 HG LEU A 24 181.547 3.409 -6.263 1.00 0.00 H new ATOM 0 HD11 LEU A 24 181.946 1.047 -5.694 1.00 0.00 H new ATOM 0 HD12 LEU A 24 181.407 1.985 -4.281 1.00 0.00 H new ATOM 0 HD13 LEU A 24 180.267 0.906 -5.120 1.00 0.00 H new ATOM 0 HD21 LEU A 24 181.192 1.660 -7.962 1.00 0.00 H new ATOM 0 HD22 LEU A 24 179.483 1.546 -7.481 1.00 0.00 H new ATOM 0 HD23 LEU A 24 180.105 3.048 -8.206 1.00 0.00 H new ATOM 396 N ALA A 25 180.062 6.543 -6.446 1.00 0.00 N ATOM 397 CA ALA A 25 180.739 7.473 -7.341 1.00 0.00 C ATOM 398 C ALA A 25 181.473 8.555 -6.558 1.00 0.00 C ATOM 399 O ALA A 25 182.589 8.939 -6.908 1.00 0.00 O ATOM 400 CB ALA A 25 179.738 8.102 -8.299 1.00 0.00 C ATOM 0 H ALA A 25 179.044 6.610 -6.459 1.00 0.00 H new ATOM 0 HA ALA A 25 181.478 6.914 -7.915 1.00 0.00 H new ATOM 0 HB1 ALA A 25 180.255 8.795 -8.963 1.00 0.00 H new ATOM 0 HB2 ALA A 25 179.260 7.321 -8.891 1.00 0.00 H new ATOM 0 HB3 ALA A 25 178.980 8.641 -7.731 1.00 0.00 H new ATOM 406 N LYS A 26 180.841 9.046 -5.496 1.00 0.00 N ATOM 407 CA LYS A 26 181.436 10.085 -4.663 1.00 0.00 C ATOM 408 C LYS A 26 182.729 9.590 -4.018 1.00 0.00 C ATOM 409 O LYS A 26 183.737 10.297 -4.004 1.00 0.00 O ATOM 410 CB LYS A 26 180.443 10.536 -3.587 1.00 0.00 C ATOM 411 CG LYS A 26 181.059 11.397 -2.493 1.00 0.00 C ATOM 412 CD LYS A 26 181.781 12.609 -3.065 1.00 0.00 C ATOM 413 CE LYS A 26 180.902 13.848 -3.034 1.00 0.00 C ATOM 414 NZ LYS A 26 180.106 13.995 -4.283 1.00 0.00 N ATOM 0 H LYS A 26 179.916 8.741 -5.192 1.00 0.00 H new ATOM 0 HA LYS A 26 181.677 10.937 -5.299 1.00 0.00 H new ATOM 0 HB2 LYS A 26 179.637 11.094 -4.063 1.00 0.00 H new ATOM 0 HB3 LYS A 26 179.993 9.654 -3.130 1.00 0.00 H new ATOM 0 HG2 LYS A 26 180.278 11.729 -1.809 1.00 0.00 H new ATOM 0 HG3 LYS A 26 181.759 10.798 -1.911 1.00 0.00 H new ATOM 0 HD2 LYS A 26 182.692 12.794 -2.495 1.00 0.00 H new ATOM 0 HD3 LYS A 26 182.084 12.402 -4.091 1.00 0.00 H new ATOM 0 HE2 LYS A 26 180.229 13.794 -2.179 1.00 0.00 H new ATOM 0 HE3 LYS A 26 181.525 14.732 -2.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 179.611 14.910 -4.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 180.740 13.953 -5.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 179.409 13.225 -4.343 1.00 0.00 H new ATOM 428 N LEU A 27 182.694 8.372 -3.485 1.00 0.00 N ATOM 429 CA LEU A 27 183.863 7.786 -2.840 1.00 0.00 C ATOM 430 C LEU A 27 185.061 7.767 -3.788 1.00 0.00 C ATOM 431 O LEU A 27 186.211 7.731 -3.351 1.00 0.00 O ATOM 432 CB LEU A 27 183.551 6.367 -2.358 1.00 0.00 C ATOM 433 CG LEU A 27 183.903 6.087 -0.895 1.00 0.00 C ATOM 434 CD1 LEU A 27 185.353 6.450 -0.615 1.00 0.00 C ATOM 435 CD2 LEU A 27 182.973 6.856 0.031 1.00 0.00 C ATOM 0 H LEU A 27 181.869 7.772 -3.487 1.00 0.00 H new ATOM 0 HA LEU A 27 184.118 8.404 -1.979 1.00 0.00 H new ATOM 0 HB2 LEU A 27 182.488 6.176 -2.503 1.00 0.00 H new ATOM 0 HB3 LEU A 27 184.090 5.659 -2.987 1.00 0.00 H new ATOM 0 HG LEU A 27 183.774 5.021 -0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 27 185.584 6.244 0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 27 186.007 5.857 -1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 27 185.509 7.509 -0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 27 183.236 6.646 1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 27 183.072 7.925 -0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 27 181.943 6.549 -0.151 1.00 0.00 H new ATOM 447 N GLU A 28 184.785 7.795 -5.089 1.00 0.00 N ATOM 448 CA GLU A 28 185.841 7.783 -6.094 1.00 0.00 C ATOM 449 C GLU A 28 186.720 9.024 -5.970 1.00 0.00 C ATOM 450 O GLU A 28 187.905 8.992 -6.299 1.00 0.00 O ATOM 451 CB GLU A 28 185.238 7.708 -7.497 1.00 0.00 C ATOM 452 CG GLU A 28 184.224 6.587 -7.665 1.00 0.00 C ATOM 453 CD GLU A 28 183.723 6.462 -9.091 1.00 0.00 C ATOM 454 OE1 GLU A 28 183.972 7.388 -9.892 1.00 0.00 O ATOM 455 OE2 GLU A 28 183.081 5.438 -9.406 1.00 0.00 O ATOM 0 H GLU A 28 183.840 7.826 -5.471 1.00 0.00 H new ATOM 0 HA GLU A 28 186.460 6.902 -5.926 1.00 0.00 H new ATOM 0 HB2 GLU A 28 184.758 8.659 -7.728 1.00 0.00 H new ATOM 0 HB3 GLU A 28 186.041 7.572 -8.222 1.00 0.00 H new ATOM 0 HG2 GLU A 28 184.677 5.644 -7.359 1.00 0.00 H new ATOM 0 HG3 GLU A 28 183.378 6.765 -7.001 1.00 0.00 H new ATOM 462 N LYS A 29 186.132 10.117 -5.493 1.00 0.00 N ATOM 463 CA LYS A 29 186.863 11.368 -5.326 1.00 0.00 C ATOM 464 C LYS A 29 187.261 11.582 -3.868 1.00 0.00 C ATOM 465 O LYS A 29 187.470 12.715 -3.433 1.00 0.00 O ATOM 466 CB LYS A 29 186.018 12.546 -5.813 1.00 0.00 C ATOM 467 CG LYS A 29 185.737 12.518 -7.307 1.00 0.00 C ATOM 468 CD LYS A 29 184.351 13.052 -7.624 1.00 0.00 C ATOM 469 CE LYS A 29 183.697 12.267 -8.750 1.00 0.00 C ATOM 470 NZ LYS A 29 184.192 12.699 -10.087 1.00 0.00 N ATOM 0 H LYS A 29 185.151 10.161 -5.215 1.00 0.00 H new ATOM 0 HA LYS A 29 187.772 11.308 -5.925 1.00 0.00 H new ATOM 0 HB2 LYS A 29 185.071 12.550 -5.274 1.00 0.00 H new ATOM 0 HB3 LYS A 29 186.530 13.476 -5.566 1.00 0.00 H new ATOM 0 HG2 LYS A 29 186.486 13.113 -7.830 1.00 0.00 H new ATOM 0 HG3 LYS A 29 185.827 11.496 -7.676 1.00 0.00 H new ATOM 0 HD2 LYS A 29 183.727 13.000 -6.732 1.00 0.00 H new ATOM 0 HD3 LYS A 29 184.420 14.103 -7.904 1.00 0.00 H new ATOM 0 HE2 LYS A 29 183.896 11.204 -8.615 1.00 0.00 H new ATOM 0 HE3 LYS A 29 182.616 12.397 -8.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 183.723 12.140 -10.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 183.980 13.707 -10.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 185.220 12.551 -10.141 1.00 0.00 H new ATOM 484 N TRP A 30 187.366 10.490 -3.118 1.00 0.00 N ATOM 485 CA TRP A 30 187.743 10.564 -1.712 1.00 0.00 C ATOM 486 C TRP A 30 189.198 10.148 -1.522 1.00 0.00 C ATOM 487 O TRP A 30 189.559 9.559 -0.504 1.00 0.00 O ATOM 488 CB TRP A 30 186.827 9.674 -0.868 1.00 0.00 C ATOM 489 CG TRP A 30 185.759 10.436 -0.141 1.00 0.00 C ATOM 490 CD1 TRP A 30 184.515 10.747 -0.606 1.00 0.00 C ATOM 491 CD2 TRP A 30 185.843 10.981 1.180 1.00 0.00 C ATOM 492 NE1 TRP A 30 183.820 11.453 0.346 1.00 0.00 N ATOM 493 CE2 TRP A 30 184.614 11.610 1.451 1.00 0.00 C ATOM 494 CE3 TRP A 30 186.840 10.999 2.162 1.00 0.00 C ATOM 495 CZ2 TRP A 30 184.354 12.248 2.661 1.00 0.00 C ATOM 496 CZ3 TRP A 30 186.581 11.633 3.362 1.00 0.00 C ATOM 497 CH2 TRP A 30 185.347 12.249 3.603 1.00 0.00 C ATOM 0 H TRP A 30 187.195 9.544 -3.460 1.00 0.00 H new ATOM 0 HA TRP A 30 187.632 11.597 -1.382 1.00 0.00 H new ATOM 0 HB2 TRP A 30 186.357 8.932 -1.514 1.00 0.00 H new ATOM 0 HB3 TRP A 30 187.431 9.128 -0.143 1.00 0.00 H new ATOM 0 HD1 TRP A 30 184.133 10.478 -1.579 1.00 0.00 H new ATOM 0 HE1 TRP A 30 182.867 11.803 0.246 1.00 0.00 H new ATOM 0 HE3 TRP A 30 187.795 10.526 1.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 183.403 12.725 2.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 187.343 11.654 4.127 1.00 0.00 H new ATOM 0 HH2 TRP A 30 185.175 12.735 4.552 1.00 0.00 H new ATOM 508 N GLN A 31 190.031 10.448 -2.515 1.00 0.00 N ATOM 509 CA GLN A 31 191.453 10.107 -2.468 1.00 0.00 C ATOM 510 C GLN A 31 191.686 8.678 -1.967 1.00 0.00 C ATOM 511 O GLN A 31 192.782 8.345 -1.516 1.00 0.00 O ATOM 512 CB GLN A 31 192.200 11.095 -1.571 1.00 0.00 C ATOM 513 CG GLN A 31 193.711 10.918 -1.594 1.00 0.00 C ATOM 514 CD GLN A 31 194.276 10.560 -0.233 1.00 0.00 C ATOM 515 OE1 GLN A 31 193.738 9.706 0.471 1.00 0.00 O ATOM 516 NE2 GLN A 31 195.369 11.215 0.144 1.00 0.00 N ATOM 0 H GLN A 31 189.745 10.929 -3.368 1.00 0.00 H new ATOM 0 HA GLN A 31 191.836 10.169 -3.487 1.00 0.00 H new ATOM 0 HB2 GLN A 31 191.957 12.111 -1.883 1.00 0.00 H new ATOM 0 HB3 GLN A 31 191.845 10.982 -0.547 1.00 0.00 H new ATOM 0 HG2 GLN A 31 193.971 10.137 -2.308 1.00 0.00 H new ATOM 0 HG3 GLN A 31 194.176 11.839 -1.946 1.00 0.00 H new ATOM 0 HE21 GLN A 31 195.782 11.915 -0.472 1.00 0.00 H new ATOM 0 HE22 GLN A 31 195.795 11.017 1.049 1.00 0.00 H new ATOM 525 N THR A 32 190.656 7.839 -2.044 1.00 0.00 N ATOM 526 CA THR A 32 190.764 6.458 -1.593 1.00 0.00 C ATOM 527 C THR A 32 191.057 5.516 -2.768 1.00 0.00 C ATOM 528 O THR A 32 192.155 5.542 -3.321 1.00 0.00 O ATOM 529 CB THR A 32 189.489 6.048 -0.849 1.00 0.00 C ATOM 530 OG1 THR A 32 189.210 6.956 0.202 1.00 0.00 O ATOM 531 CG2 THR A 32 189.567 4.663 -0.246 1.00 0.00 C ATOM 0 H THR A 32 189.740 8.092 -2.414 1.00 0.00 H new ATOM 0 HA THR A 32 191.603 6.380 -0.901 1.00 0.00 H new ATOM 0 HB THR A 32 188.700 6.056 -1.601 1.00 0.00 H new ATOM 0 HG1 THR A 32 189.214 7.872 -0.147 1.00 0.00 H new ATOM 0 HG21 THR A 32 188.632 4.436 0.266 1.00 0.00 H new ATOM 0 HG22 THR A 32 189.735 3.931 -1.036 1.00 0.00 H new ATOM 0 HG23 THR A 32 190.390 4.623 0.467 1.00 0.00 H new ATOM 539 N HIS A 33 190.080 4.682 -3.149 1.00 0.00 N ATOM 540 CA HIS A 33 190.254 3.737 -4.253 1.00 0.00 C ATOM 541 C HIS A 33 189.129 2.700 -4.251 1.00 0.00 C ATOM 542 O HIS A 33 188.381 2.579 -5.221 1.00 0.00 O ATOM 543 CB HIS A 33 191.620 3.041 -4.148 1.00 0.00 C ATOM 544 CG HIS A 33 191.720 1.754 -4.909 1.00 0.00 C ATOM 545 ND1 HIS A 33 191.402 1.639 -6.245 1.00 0.00 N ATOM 546 CD2 HIS A 33 192.113 0.521 -4.510 1.00 0.00 C ATOM 547 CE1 HIS A 33 191.596 0.392 -6.636 1.00 0.00 C ATOM 548 NE2 HIS A 33 192.030 -0.306 -5.603 1.00 0.00 N ATOM 0 H HIS A 33 189.162 4.645 -2.707 1.00 0.00 H new ATOM 0 HA HIS A 33 190.214 4.290 -5.192 1.00 0.00 H new ATOM 0 HB2 HIS A 33 192.390 3.723 -4.509 1.00 0.00 H new ATOM 0 HB3 HIS A 33 191.834 2.845 -3.097 1.00 0.00 H new ATOM 0 HD1 HIS A 33 191.069 2.398 -6.839 1.00 0.00 H new ATOM 0 HD2 HIS A 33 192.432 0.240 -3.517 1.00 0.00 H new ATOM 0 HE1 HIS A 33 191.428 0.009 -7.632 1.00 0.00 H new ATOM 557 N LEU A 34 189.021 1.961 -3.153 1.00 0.00 N ATOM 558 CA LEU A 34 187.994 0.932 -3.010 1.00 0.00 C ATOM 559 C LEU A 34 188.147 -0.153 -4.069 1.00 0.00 C ATOM 560 O LEU A 34 188.566 0.112 -5.196 1.00 0.00 O ATOM 561 CB LEU A 34 186.594 1.547 -3.098 1.00 0.00 C ATOM 562 CG LEU A 34 186.260 2.578 -2.015 1.00 0.00 C ATOM 563 CD1 LEU A 34 186.846 2.169 -0.671 1.00 0.00 C ATOM 564 CD2 LEU A 34 186.764 3.953 -2.422 1.00 0.00 C ATOM 0 H LEU A 34 189.635 2.055 -2.344 1.00 0.00 H new ATOM 0 HA LEU A 34 188.122 0.477 -2.028 1.00 0.00 H new ATOM 0 HB2 LEU A 34 186.485 2.021 -4.073 1.00 0.00 H new ATOM 0 HB3 LEU A 34 185.859 0.744 -3.050 1.00 0.00 H new ATOM 0 HG LEU A 34 185.176 2.621 -1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 34 186.594 2.918 0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 34 186.435 1.205 -0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 34 187.930 2.091 -0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 34 186.520 4.675 -1.643 1.00 0.00 H new ATOM 0 HD22 LEU A 34 187.845 3.919 -2.559 1.00 0.00 H new ATOM 0 HD23 LEU A 34 186.289 4.253 -3.356 1.00 0.00 H new ATOM 576 N ILE A 35 187.803 -1.378 -3.693 1.00 0.00 N ATOM 577 CA ILE A 35 187.903 -2.513 -4.607 1.00 0.00 C ATOM 578 C ILE A 35 186.695 -3.439 -4.489 1.00 0.00 C ATOM 579 O ILE A 35 185.954 -3.629 -5.453 1.00 0.00 O ATOM 580 CB ILE A 35 189.193 -3.337 -4.368 1.00 0.00 C ATOM 581 CG1 ILE A 35 189.815 -2.997 -3.010 1.00 0.00 C ATOM 582 CG2 ILE A 35 190.193 -3.092 -5.488 1.00 0.00 C ATOM 583 CD1 ILE A 35 191.097 -3.750 -2.724 1.00 0.00 C ATOM 0 H ILE A 35 187.453 -1.613 -2.764 1.00 0.00 H new ATOM 0 HA ILE A 35 187.935 -2.090 -5.611 1.00 0.00 H new ATOM 0 HB ILE A 35 188.926 -4.394 -4.363 1.00 0.00 H new ATOM 0 HG12 ILE A 35 190.016 -1.926 -2.970 1.00 0.00 H new ATOM 0 HG13 ILE A 35 189.092 -3.216 -2.224 1.00 0.00 H new ATOM 0 HG21 ILE A 35 191.094 -3.678 -5.306 1.00 0.00 H new ATOM 0 HG22 ILE A 35 189.753 -3.389 -6.440 1.00 0.00 H new ATOM 0 HG23 ILE A 35 190.449 -2.033 -5.522 1.00 0.00 H new ATOM 0 HD11 ILE A 35 191.480 -3.458 -1.746 1.00 0.00 H new ATOM 0 HD12 ILE A 35 190.899 -4.822 -2.731 1.00 0.00 H new ATOM 0 HD13 ILE A 35 191.837 -3.513 -3.489 1.00 0.00 H new ATOM 595 N ASN A 36 186.510 -4.024 -3.309 1.00 0.00 N ATOM 596 CA ASN A 36 185.397 -4.943 -3.081 1.00 0.00 C ATOM 597 C ASN A 36 184.331 -4.326 -2.177 1.00 0.00 C ATOM 598 O ASN A 36 184.196 -4.710 -1.014 1.00 0.00 O ATOM 599 CB ASN A 36 185.911 -6.248 -2.465 1.00 0.00 C ATOM 600 CG ASN A 36 186.276 -7.292 -3.493 1.00 0.00 C ATOM 601 OD1 ASN A 36 186.601 -6.859 -4.695 1.00 0.00 O flip ATOM 602 ND2 ASN A 36 186.266 -8.489 -3.203 1.00 0.00 N flip ATOM 0 H ASN A 36 187.113 -3.880 -2.499 1.00 0.00 H new ATOM 0 HA ASN A 36 184.937 -5.151 -4.047 1.00 0.00 H new ATOM 0 HB2 ASN A 36 186.785 -6.032 -1.851 1.00 0.00 H new ATOM 0 HB3 ASN A 36 185.147 -6.653 -1.801 1.00 0.00 H new ATOM 0 HD21 ASN A 36 186.008 -8.783 -2.261 1.00 0.00 H new ATOM 0 HD22 ASN A 36 186.515 -9.186 -3.905 1.00 0.00 H new ATOM 609 N PRO A 37 183.547 -3.367 -2.700 1.00 0.00 N ATOM 610 CA PRO A 37 182.484 -2.713 -1.932 1.00 0.00 C ATOM 611 C PRO A 37 181.266 -3.618 -1.761 1.00 0.00 C ATOM 612 O PRO A 37 180.419 -3.709 -2.649 1.00 0.00 O ATOM 613 CB PRO A 37 182.129 -1.503 -2.791 1.00 0.00 C ATOM 614 CG PRO A 37 182.435 -1.935 -4.181 1.00 0.00 C ATOM 615 CD PRO A 37 183.627 -2.850 -4.079 1.00 0.00 C ATOM 0 HA PRO A 37 182.800 -2.458 -0.921 1.00 0.00 H new ATOM 0 HB2 PRO A 37 181.079 -1.232 -2.681 1.00 0.00 H new ATOM 0 HB3 PRO A 37 182.715 -0.629 -2.508 1.00 0.00 H new ATOM 0 HG2 PRO A 37 181.584 -2.451 -4.625 1.00 0.00 H new ATOM 0 HG3 PRO A 37 182.655 -1.077 -4.817 1.00 0.00 H new ATOM 0 HD2 PRO A 37 183.579 -3.655 -4.813 1.00 0.00 H new ATOM 0 HD3 PRO A 37 184.560 -2.314 -4.253 1.00 0.00 H new ATOM 623 N HIS A 38 181.190 -4.288 -0.616 1.00 0.00 N ATOM 624 CA HIS A 38 180.080 -5.190 -0.334 1.00 0.00 C ATOM 625 C HIS A 38 178.905 -4.442 0.287 1.00 0.00 C ATOM 626 O HIS A 38 179.063 -3.729 1.279 1.00 0.00 O ATOM 627 CB HIS A 38 180.537 -6.317 0.595 1.00 0.00 C ATOM 628 CG HIS A 38 180.456 -7.675 -0.029 1.00 0.00 C ATOM 629 ND1 HIS A 38 181.517 -8.556 -0.055 1.00 0.00 N ATOM 630 CD2 HIS A 38 179.432 -8.303 -0.654 1.00 0.00 C ATOM 631 CE1 HIS A 38 181.150 -9.666 -0.672 1.00 0.00 C ATOM 632 NE2 HIS A 38 179.890 -9.538 -1.045 1.00 0.00 N ATOM 0 H HIS A 38 181.882 -4.224 0.130 1.00 0.00 H new ATOM 0 HA HIS A 38 179.747 -5.619 -1.279 1.00 0.00 H new ATOM 0 HB2 HIS A 38 181.565 -6.128 0.903 1.00 0.00 H new ATOM 0 HB3 HIS A 38 179.926 -6.304 1.497 1.00 0.00 H new ATOM 0 HD2 HIS A 38 178.440 -7.907 -0.815 1.00 0.00 H new ATOM 0 HE1 HIS A 38 181.775 -10.530 -0.842 1.00 0.00 H new ATOM 0 HE2 HIS A 38 179.345 -10.242 -1.543 1.00 0.00 H new ATOM 641 N ILE A 39 177.724 -4.616 -0.299 1.00 0.00 N ATOM 642 CA ILE A 39 176.517 -3.967 0.195 1.00 0.00 C ATOM 643 C ILE A 39 175.512 -5.003 0.691 1.00 0.00 C ATOM 644 O ILE A 39 174.746 -5.564 -0.093 1.00 0.00 O ATOM 645 CB ILE A 39 175.861 -3.091 -0.897 1.00 0.00 C ATOM 646 CG1 ILE A 39 176.782 -1.926 -1.262 1.00 0.00 C ATOM 647 CG2 ILE A 39 174.505 -2.571 -0.434 1.00 0.00 C ATOM 648 CD1 ILE A 39 176.980 -0.934 -0.136 1.00 0.00 C ATOM 0 H ILE A 39 177.579 -5.204 -1.120 1.00 0.00 H new ATOM 0 HA ILE A 39 176.810 -3.324 1.025 1.00 0.00 H new ATOM 0 HB ILE A 39 175.704 -3.707 -1.783 1.00 0.00 H new ATOM 0 HG12 ILE A 39 177.753 -2.321 -1.562 1.00 0.00 H new ATOM 0 HG13 ILE A 39 176.370 -1.405 -2.126 1.00 0.00 H new ATOM 0 HG21 ILE A 39 174.063 -1.957 -1.219 1.00 0.00 H new ATOM 0 HG22 ILE A 39 173.847 -3.413 -0.218 1.00 0.00 H new ATOM 0 HG23 ILE A 39 174.634 -1.970 0.467 1.00 0.00 H new ATOM 0 HD11 ILE A 39 177.644 -0.136 -0.467 1.00 0.00 H new ATOM 0 HD12 ILE A 39 176.017 -0.510 0.149 1.00 0.00 H new ATOM 0 HD13 ILE A 39 177.422 -1.441 0.722 1.00 0.00 H new ATOM 660 N ILE A 40 175.521 -5.252 1.997 1.00 0.00 N ATOM 661 CA ILE A 40 174.612 -6.221 2.596 1.00 0.00 C ATOM 662 C ILE A 40 173.386 -5.529 3.184 1.00 0.00 C ATOM 663 O ILE A 40 173.359 -5.193 4.368 1.00 0.00 O ATOM 664 CB ILE A 40 175.305 -7.041 3.704 1.00 0.00 C ATOM 665 CG1 ILE A 40 176.745 -7.370 3.309 1.00 0.00 C ATOM 666 CG2 ILE A 40 174.523 -8.316 3.985 1.00 0.00 C ATOM 667 CD1 ILE A 40 177.516 -8.098 4.389 1.00 0.00 C ATOM 0 H ILE A 40 176.148 -4.796 2.660 1.00 0.00 H new ATOM 0 HA ILE A 40 174.302 -6.897 1.799 1.00 0.00 H new ATOM 0 HB ILE A 40 175.329 -6.442 4.614 1.00 0.00 H new ATOM 0 HG12 ILE A 40 176.735 -7.981 2.406 1.00 0.00 H new ATOM 0 HG13 ILE A 40 177.266 -6.445 3.062 1.00 0.00 H new ATOM 0 HG21 ILE A 40 175.024 -8.885 4.769 1.00 0.00 H new ATOM 0 HG22 ILE A 40 173.515 -8.060 4.310 1.00 0.00 H new ATOM 0 HG23 ILE A 40 174.470 -8.918 3.078 1.00 0.00 H new ATOM 0 HD11 ILE A 40 178.529 -8.299 4.040 1.00 0.00 H new ATOM 0 HD12 ILE A 40 177.557 -7.480 5.286 1.00 0.00 H new ATOM 0 HD13 ILE A 40 177.018 -9.040 4.620 1.00 0.00 H new ATOM 679 N LEU A 41 172.374 -5.319 2.349 1.00 0.00 N ATOM 680 CA LEU A 41 171.145 -4.666 2.786 1.00 0.00 C ATOM 681 C LEU A 41 170.036 -5.691 3.008 1.00 0.00 C ATOM 682 O LEU A 41 169.396 -6.144 2.059 1.00 0.00 O ATOM 683 CB LEU A 41 170.706 -3.626 1.750 1.00 0.00 C ATOM 684 CG LEU A 41 169.290 -3.068 1.939 1.00 0.00 C ATOM 685 CD1 LEU A 41 169.330 -1.565 2.167 1.00 0.00 C ATOM 686 CD2 LEU A 41 168.419 -3.403 0.736 1.00 0.00 C ATOM 0 H LEU A 41 172.380 -5.591 1.366 1.00 0.00 H new ATOM 0 HA LEU A 41 171.340 -4.163 3.733 1.00 0.00 H new ATOM 0 HB2 LEU A 41 171.412 -2.796 1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 41 170.772 -4.075 0.759 1.00 0.00 H new ATOM 0 HG LEU A 41 168.854 -3.536 2.822 1.00 0.00 H new ATOM 0 HD11 LEU A 41 168.315 -1.190 2.299 1.00 0.00 H new ATOM 0 HD12 LEU A 41 169.916 -1.348 3.060 1.00 0.00 H new ATOM 0 HD13 LEU A 41 169.788 -1.078 1.306 1.00 0.00 H new ATOM 0 HD21 LEU A 41 167.418 -2.999 0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 41 168.855 -2.965 -0.162 1.00 0.00 H new ATOM 0 HD23 LEU A 41 168.360 -4.485 0.620 1.00 0.00 H new ATOM 698 N SER A 42 169.815 -6.055 4.267 1.00 0.00 N ATOM 699 CA SER A 42 168.785 -7.029 4.611 1.00 0.00 C ATOM 700 C SER A 42 167.652 -6.373 5.393 1.00 0.00 C ATOM 701 O SER A 42 167.861 -5.385 6.099 1.00 0.00 O ATOM 702 CB SER A 42 169.390 -8.171 5.428 1.00 0.00 C ATOM 703 OG SER A 42 170.584 -8.647 4.830 1.00 0.00 O ATOM 0 H SER A 42 170.335 -5.691 5.065 1.00 0.00 H new ATOM 0 HA SER A 42 168.375 -7.430 3.684 1.00 0.00 H new ATOM 0 HB2 SER A 42 169.599 -7.827 6.441 1.00 0.00 H new ATOM 0 HB3 SER A 42 168.670 -8.985 5.510 1.00 0.00 H new ATOM 0 HG SER A 42 171.185 -8.987 5.525 1.00 0.00 H new ATOM 709 N LYS A 43 166.453 -6.930 5.267 1.00 0.00 N ATOM 710 CA LYS A 43 165.287 -6.402 5.966 1.00 0.00 C ATOM 711 C LYS A 43 165.151 -7.036 7.345 1.00 0.00 C ATOM 712 O LYS A 43 164.821 -8.216 7.466 1.00 0.00 O ATOM 713 CB LYS A 43 164.018 -6.652 5.147 1.00 0.00 C ATOM 714 CG LYS A 43 162.850 -5.766 5.550 1.00 0.00 C ATOM 715 CD LYS A 43 161.535 -6.529 5.518 1.00 0.00 C ATOM 716 CE LYS A 43 161.428 -7.506 6.678 1.00 0.00 C ATOM 717 NZ LYS A 43 160.899 -8.829 6.245 1.00 0.00 N ATOM 0 H LYS A 43 166.263 -7.747 4.687 1.00 0.00 H new ATOM 0 HA LYS A 43 165.422 -5.328 6.091 1.00 0.00 H new ATOM 0 HB2 LYS A 43 164.239 -6.491 4.092 1.00 0.00 H new ATOM 0 HB3 LYS A 43 163.725 -7.696 5.255 1.00 0.00 H new ATOM 0 HG2 LYS A 43 163.019 -5.373 6.552 1.00 0.00 H new ATOM 0 HG3 LYS A 43 162.792 -4.910 4.877 1.00 0.00 H new ATOM 0 HD2 LYS A 43 160.704 -5.825 5.556 1.00 0.00 H new ATOM 0 HD3 LYS A 43 161.451 -7.071 4.576 1.00 0.00 H new ATOM 0 HE2 LYS A 43 162.410 -7.639 7.132 1.00 0.00 H new ATOM 0 HE3 LYS A 43 160.776 -7.088 7.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 160.842 -9.465 7.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 159.951 -8.707 5.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 161.534 -9.240 5.532 1.00 0.00 H new ATOM 731 N GLU A 44 165.414 -6.249 8.383 1.00 0.00 N ATOM 732 CA GLU A 44 165.324 -6.742 9.751 1.00 0.00 C ATOM 733 C GLU A 44 164.062 -6.232 10.442 1.00 0.00 C ATOM 734 O GLU A 44 163.604 -5.120 10.181 1.00 0.00 O ATOM 735 CB GLU A 44 166.558 -6.319 10.552 1.00 0.00 C ATOM 736 CG GLU A 44 167.493 -7.472 10.880 1.00 0.00 C ATOM 737 CD GLU A 44 168.080 -7.367 12.273 1.00 0.00 C ATOM 738 OE1 GLU A 44 167.331 -7.012 13.207 1.00 0.00 O ATOM 739 OE2 GLU A 44 169.288 -7.640 12.431 1.00 0.00 O ATOM 0 H GLU A 44 165.690 -5.270 8.303 1.00 0.00 H new ATOM 0 HA GLU A 44 165.277 -7.830 9.709 1.00 0.00 H new ATOM 0 HB2 GLU A 44 167.107 -5.566 9.987 1.00 0.00 H new ATOM 0 HB3 GLU A 44 166.235 -5.848 11.481 1.00 0.00 H new ATOM 0 HG2 GLU A 44 166.950 -8.413 10.788 1.00 0.00 H new ATOM 0 HG3 GLU A 44 168.302 -7.498 10.150 1.00 0.00 H new ATOM 746 N PRO A 45 163.487 -7.050 11.341 1.00 0.00 N ATOM 747 CA PRO A 45 162.280 -6.705 12.087 1.00 0.00 C ATOM 748 C PRO A 45 162.250 -5.250 12.532 1.00 0.00 C ATOM 749 O PRO A 45 161.247 -4.554 12.364 1.00 0.00 O ATOM 750 CB PRO A 45 162.350 -7.609 13.330 1.00 0.00 C ATOM 751 CG PRO A 45 163.518 -8.528 13.134 1.00 0.00 C ATOM 752 CD PRO A 45 163.968 -8.384 11.707 1.00 0.00 C ATOM 0 HA PRO A 45 161.391 -6.843 11.472 1.00 0.00 H new ATOM 0 HB2 PRO A 45 162.475 -7.013 14.234 1.00 0.00 H new ATOM 0 HB3 PRO A 45 161.427 -8.177 13.447 1.00 0.00 H new ATOM 0 HG2 PRO A 45 164.326 -8.273 13.819 1.00 0.00 H new ATOM 0 HG3 PRO A 45 163.235 -9.559 13.345 1.00 0.00 H new ATOM 0 HD2 PRO A 45 165.051 -8.461 11.616 1.00 0.00 H new ATOM 0 HD3 PRO A 45 163.539 -9.157 11.069 1.00 0.00 H new ATOM 760 N GLN A 46 163.346 -4.811 13.137 1.00 0.00 N ATOM 761 CA GLN A 46 163.443 -3.456 13.655 1.00 0.00 C ATOM 762 C GLN A 46 164.255 -2.534 12.742 1.00 0.00 C ATOM 763 O GLN A 46 165.158 -1.837 13.203 1.00 0.00 O ATOM 764 CB GLN A 46 164.062 -3.500 15.049 1.00 0.00 C ATOM 765 CG GLN A 46 163.409 -2.548 16.039 1.00 0.00 C ATOM 766 CD GLN A 46 163.001 -3.238 17.327 1.00 0.00 C ATOM 767 OE1 GLN A 46 163.262 -2.739 18.422 1.00 0.00 O ATOM 768 NE2 GLN A 46 162.361 -4.394 17.201 1.00 0.00 N ATOM 0 H GLN A 46 164.182 -5.377 13.281 1.00 0.00 H new ATOM 0 HA GLN A 46 162.436 -3.041 13.700 1.00 0.00 H new ATOM 0 HB2 GLN A 46 163.992 -4.517 15.436 1.00 0.00 H new ATOM 0 HB3 GLN A 46 165.123 -3.260 14.974 1.00 0.00 H new ATOM 0 HG2 GLN A 46 164.100 -1.737 16.268 1.00 0.00 H new ATOM 0 HG3 GLN A 46 162.530 -2.097 15.578 1.00 0.00 H new ATOM 0 HE21 GLN A 46 162.166 -4.770 16.273 1.00 0.00 H new ATOM 0 HE22 GLN A 46 162.065 -4.906 18.032 1.00 0.00 H new ATOM 777 N GLY A 47 163.913 -2.513 11.457 1.00 0.00 N ATOM 778 CA GLY A 47 164.611 -1.641 10.526 1.00 0.00 C ATOM 779 C GLY A 47 165.467 -2.378 9.512 1.00 0.00 C ATOM 780 O GLY A 47 165.620 -3.598 9.578 1.00 0.00 O ATOM 0 H GLY A 47 163.171 -3.079 11.045 1.00 0.00 H new ATOM 0 HA2 GLY A 47 163.878 -1.034 9.994 1.00 0.00 H new ATOM 0 HA3 GLY A 47 165.244 -0.956 11.091 1.00 0.00 H new ATOM 784 N PHE A 48 166.024 -1.618 8.570 1.00 0.00 N ATOM 785 CA PHE A 48 166.878 -2.168 7.521 1.00 0.00 C ATOM 786 C PHE A 48 168.315 -2.311 8.012 1.00 0.00 C ATOM 787 O PHE A 48 168.805 -1.468 8.765 1.00 0.00 O ATOM 788 CB PHE A 48 166.863 -1.252 6.292 1.00 0.00 C ATOM 789 CG PHE A 48 165.927 -1.687 5.201 1.00 0.00 C ATOM 790 CD1 PHE A 48 165.782 -3.026 4.876 1.00 0.00 C ATOM 791 CD2 PHE A 48 165.194 -0.748 4.496 1.00 0.00 C ATOM 792 CE1 PHE A 48 164.925 -3.419 3.867 1.00 0.00 C ATOM 793 CE2 PHE A 48 164.336 -1.133 3.487 1.00 0.00 C ATOM 794 CZ PHE A 48 164.200 -2.471 3.171 1.00 0.00 C ATOM 0 H PHE A 48 165.896 -0.608 8.513 1.00 0.00 H new ATOM 0 HA PHE A 48 166.490 -3.151 7.255 1.00 0.00 H new ATOM 0 HB2 PHE A 48 166.589 -0.246 6.608 1.00 0.00 H new ATOM 0 HB3 PHE A 48 167.873 -1.194 5.885 1.00 0.00 H new ATOM 0 HD1 PHE A 48 166.346 -3.771 5.418 1.00 0.00 H new ATOM 0 HD2 PHE A 48 165.295 0.299 4.739 1.00 0.00 H new ATOM 0 HE1 PHE A 48 164.822 -4.466 3.622 1.00 0.00 H new ATOM 0 HE2 PHE A 48 163.771 -0.389 2.945 1.00 0.00 H new ATOM 0 HZ PHE A 48 163.528 -2.775 2.382 1.00 0.00 H new ATOM 804 N VAL A 49 168.985 -3.372 7.566 1.00 0.00 N ATOM 805 CA VAL A 49 170.372 -3.619 7.945 1.00 0.00 C ATOM 806 C VAL A 49 171.302 -3.409 6.757 1.00 0.00 C ATOM 807 O VAL A 49 171.633 -4.355 6.042 1.00 0.00 O ATOM 808 CB VAL A 49 170.571 -5.048 8.481 1.00 0.00 C ATOM 809 CG1 VAL A 49 171.957 -5.204 9.086 1.00 0.00 C ATOM 810 CG2 VAL A 49 169.495 -5.392 9.494 1.00 0.00 C ATOM 0 H VAL A 49 168.588 -4.074 6.941 1.00 0.00 H new ATOM 0 HA VAL A 49 170.613 -2.909 8.736 1.00 0.00 H new ATOM 0 HB VAL A 49 170.486 -5.745 7.647 1.00 0.00 H new ATOM 0 HG11 VAL A 49 172.079 -6.221 9.459 1.00 0.00 H new ATOM 0 HG12 VAL A 49 172.711 -5.004 8.325 1.00 0.00 H new ATOM 0 HG13 VAL A 49 172.076 -4.499 9.908 1.00 0.00 H new ATOM 0 HG21 VAL A 49 169.652 -6.406 9.862 1.00 0.00 H new ATOM 0 HG22 VAL A 49 169.543 -4.692 10.328 1.00 0.00 H new ATOM 0 HG23 VAL A 49 168.515 -5.325 9.021 1.00 0.00 H new ATOM 820 N ALA A 50 171.714 -2.166 6.547 1.00 0.00 N ATOM 821 CA ALA A 50 172.600 -1.836 5.439 1.00 0.00 C ATOM 822 C ALA A 50 174.064 -1.944 5.850 1.00 0.00 C ATOM 823 O ALA A 50 174.662 -0.974 6.315 1.00 0.00 O ATOM 824 CB ALA A 50 172.295 -0.440 4.921 1.00 0.00 C ATOM 0 H ALA A 50 171.449 -1.371 7.128 1.00 0.00 H new ATOM 0 HA ALA A 50 172.424 -2.556 4.640 1.00 0.00 H new ATOM 0 HB1 ALA A 50 172.964 -0.205 4.093 1.00 0.00 H new ATOM 0 HB2 ALA A 50 171.262 -0.398 4.576 1.00 0.00 H new ATOM 0 HB3 ALA A 50 172.440 0.285 5.722 1.00 0.00 H new ATOM 830 N ASP A 51 174.639 -3.129 5.666 1.00 0.00 N ATOM 831 CA ASP A 51 176.036 -3.363 6.012 1.00 0.00 C ATOM 832 C ASP A 51 176.933 -3.109 4.805 1.00 0.00 C ATOM 833 O ASP A 51 177.201 -4.016 4.016 1.00 0.00 O ATOM 834 CB ASP A 51 176.225 -4.796 6.519 1.00 0.00 C ATOM 835 CG ASP A 51 176.631 -4.842 7.979 1.00 0.00 C ATOM 836 OD1 ASP A 51 177.699 -4.287 8.316 1.00 0.00 O ATOM 837 OD2 ASP A 51 175.883 -5.435 8.784 1.00 0.00 O ATOM 0 H ASP A 51 174.159 -3.941 5.279 1.00 0.00 H new ATOM 0 HA ASP A 51 176.317 -2.671 6.806 1.00 0.00 H new ATOM 0 HB2 ASP A 51 175.297 -5.352 6.385 1.00 0.00 H new ATOM 0 HB3 ASP A 51 176.985 -5.295 5.917 1.00 0.00 H new ATOM 842 N ALA A 52 177.392 -1.870 4.665 1.00 0.00 N ATOM 843 CA ALA A 52 178.253 -1.496 3.553 1.00 0.00 C ATOM 844 C ALA A 52 179.724 -1.729 3.884 1.00 0.00 C ATOM 845 O ALA A 52 180.371 -0.884 4.503 1.00 0.00 O ATOM 846 CB ALA A 52 178.018 -0.042 3.170 1.00 0.00 C ATOM 0 H ALA A 52 177.181 -1.108 5.309 1.00 0.00 H new ATOM 0 HA ALA A 52 177.999 -2.131 2.704 1.00 0.00 H new ATOM 0 HB1 ALA A 52 178.668 0.225 2.337 1.00 0.00 H new ATOM 0 HB2 ALA A 52 176.977 0.093 2.875 1.00 0.00 H new ATOM 0 HB3 ALA A 52 178.240 0.599 4.023 1.00 0.00 H new ATOM 852 N THR A 53 180.245 -2.874 3.461 1.00 0.00 N ATOM 853 CA THR A 53 181.642 -3.216 3.703 1.00 0.00 C ATOM 854 C THR A 53 182.492 -2.865 2.489 1.00 0.00 C ATOM 855 O THR A 53 182.519 -3.604 1.504 1.00 0.00 O ATOM 856 CB THR A 53 181.778 -4.705 4.028 1.00 0.00 C ATOM 857 OG1 THR A 53 180.864 -5.085 5.041 1.00 0.00 O ATOM 858 CG2 THR A 53 183.166 -5.088 4.493 1.00 0.00 C ATOM 0 H THR A 53 179.721 -3.583 2.948 1.00 0.00 H new ATOM 0 HA THR A 53 181.996 -2.638 4.557 1.00 0.00 H new ATOM 0 HB THR A 53 181.567 -5.226 3.094 1.00 0.00 H new ATOM 0 HG1 THR A 53 180.966 -6.041 5.232 1.00 0.00 H new ATOM 0 HG21 THR A 53 183.196 -6.156 4.707 1.00 0.00 H new ATOM 0 HG22 THR A 53 183.889 -4.854 3.712 1.00 0.00 H new ATOM 0 HG23 THR A 53 183.414 -4.530 5.396 1.00 0.00 H new ATOM 866 N ILE A 54 183.176 -1.730 2.560 1.00 0.00 N ATOM 867 CA ILE A 54 184.015 -1.278 1.457 1.00 0.00 C ATOM 868 C ILE A 54 185.491 -1.527 1.742 1.00 0.00 C ATOM 869 O ILE A 54 186.050 -0.993 2.700 1.00 0.00 O ATOM 870 CB ILE A 54 183.799 0.220 1.163 1.00 0.00 C ATOM 871 CG1 ILE A 54 182.316 0.579 1.295 1.00 0.00 C ATOM 872 CG2 ILE A 54 184.311 0.563 -0.228 1.00 0.00 C ATOM 873 CD1 ILE A 54 182.004 2.017 0.936 1.00 0.00 C ATOM 0 H ILE A 54 183.167 -1.107 3.367 1.00 0.00 H new ATOM 0 HA ILE A 54 183.721 -1.857 0.582 1.00 0.00 H new ATOM 0 HB ILE A 54 184.361 0.805 1.891 1.00 0.00 H new ATOM 0 HG12 ILE A 54 181.733 -0.081 0.653 1.00 0.00 H new ATOM 0 HG13 ILE A 54 181.996 0.392 2.320 1.00 0.00 H new ATOM 0 HG21 ILE A 54 184.152 1.624 -0.423 1.00 0.00 H new ATOM 0 HG22 ILE A 54 185.376 0.338 -0.290 1.00 0.00 H new ATOM 0 HG23 ILE A 54 183.772 -0.027 -0.970 1.00 0.00 H new ATOM 0 HD11 ILE A 54 180.935 2.198 1.053 1.00 0.00 H new ATOM 0 HD12 ILE A 54 182.559 2.685 1.594 1.00 0.00 H new ATOM 0 HD13 ILE A 54 182.292 2.205 -0.098 1.00 0.00 H new ATOM 885 N ASN A 55 186.118 -2.342 0.899 1.00 0.00 N ATOM 886 CA ASN A 55 187.530 -2.665 1.053 1.00 0.00 C ATOM 887 C ASN A 55 188.407 -1.583 0.432 1.00 0.00 C ATOM 888 O ASN A 55 188.642 -1.578 -0.779 1.00 0.00 O ATOM 889 CB ASN A 55 187.840 -4.018 0.411 1.00 0.00 C ATOM 890 CG ASN A 55 189.162 -4.594 0.882 1.00 0.00 C ATOM 891 OD1 ASN A 55 189.325 -4.702 2.197 1.00 0.00 O flip ATOM 892 ND2 ASN A 55 190.026 -4.937 0.076 1.00 0.00 N flip ATOM 0 H ASN A 55 185.668 -2.791 0.101 1.00 0.00 H new ATOM 0 HA ASN A 55 187.749 -2.718 2.119 1.00 0.00 H new ATOM 0 HB2 ASN A 55 187.038 -4.719 0.643 1.00 0.00 H new ATOM 0 HB3 ASN A 55 187.862 -3.906 -0.673 1.00 0.00 H new ATOM 0 HD21 ASN A 55 189.858 -4.836 -0.925 1.00 0.00 H new ATOM 0 HD22 ASN A 55 190.910 -5.322 0.409 1.00 0.00 H new ATOM 899 N THR A 56 188.884 -0.666 1.267 1.00 0.00 N ATOM 900 CA THR A 56 189.731 0.427 0.803 1.00 0.00 C ATOM 901 C THR A 56 191.209 0.051 0.926 1.00 0.00 C ATOM 902 O THR A 56 191.552 -0.934 1.579 1.00 0.00 O ATOM 903 CB THR A 56 189.439 1.714 1.594 1.00 0.00 C ATOM 904 OG1 THR A 56 190.481 1.997 2.512 1.00 0.00 O ATOM 905 CG2 THR A 56 188.143 1.671 2.376 1.00 0.00 C ATOM 0 H THR A 56 188.698 -0.658 2.270 1.00 0.00 H new ATOM 0 HA THR A 56 189.506 0.610 -0.248 1.00 0.00 H new ATOM 0 HB THR A 56 189.358 2.491 0.834 1.00 0.00 H new ATOM 0 HG1 THR A 56 190.110 2.450 3.298 1.00 0.00 H new ATOM 0 HG21 THR A 56 188.007 2.613 2.907 1.00 0.00 H new ATOM 0 HG22 THR A 56 187.309 1.517 1.691 1.00 0.00 H new ATOM 0 HG23 THR A 56 188.178 0.852 3.094 1.00 0.00 H new ATOM 913 N PRO A 57 192.106 0.832 0.298 1.00 0.00 N ATOM 914 CA PRO A 57 193.549 0.569 0.344 1.00 0.00 C ATOM 915 C PRO A 57 194.131 0.736 1.745 1.00 0.00 C ATOM 916 O PRO A 57 195.181 0.178 2.059 1.00 0.00 O ATOM 917 CB PRO A 57 194.138 1.616 -0.606 1.00 0.00 C ATOM 918 CG PRO A 57 193.120 2.702 -0.661 1.00 0.00 C ATOM 919 CD PRO A 57 191.787 2.027 -0.503 1.00 0.00 C ATOM 0 HA PRO A 57 193.779 -0.459 0.063 1.00 0.00 H new ATOM 0 HB2 PRO A 57 195.094 1.989 -0.238 1.00 0.00 H new ATOM 0 HB3 PRO A 57 194.319 1.194 -1.595 1.00 0.00 H new ATOM 0 HG2 PRO A 57 193.284 3.432 0.132 1.00 0.00 H new ATOM 0 HG3 PRO A 57 193.175 3.241 -1.607 1.00 0.00 H new ATOM 0 HD2 PRO A 57 191.068 2.671 0.003 1.00 0.00 H new ATOM 0 HD3 PRO A 57 191.354 1.761 -1.467 1.00 0.00 H new ATOM 927 N ASN A 58 193.443 1.506 2.584 1.00 0.00 N ATOM 928 CA ASN A 58 193.898 1.741 3.950 1.00 0.00 C ATOM 929 C ASN A 58 193.179 0.827 4.943 1.00 0.00 C ATOM 930 O ASN A 58 193.560 0.748 6.111 1.00 0.00 O ATOM 931 CB ASN A 58 193.682 3.204 4.340 1.00 0.00 C ATOM 932 CG ASN A 58 192.239 3.641 4.181 1.00 0.00 C ATOM 933 OD1 ASN A 58 191.332 3.052 4.769 1.00 0.00 O ATOM 934 ND2 ASN A 58 192.019 4.678 3.381 1.00 0.00 N ATOM 0 H ASN A 58 192.571 1.976 2.342 1.00 0.00 H new ATOM 0 HA ASN A 58 194.963 1.513 3.987 1.00 0.00 H new ATOM 0 HB2 ASN A 58 193.990 3.350 5.375 1.00 0.00 H new ATOM 0 HB3 ASN A 58 194.320 3.839 3.725 1.00 0.00 H new ATOM 0 HD21 ASN A 58 191.068 5.016 3.234 1.00 0.00 H new ATOM 0 HD22 ASN A 58 192.801 5.136 2.914 1.00 0.00 H new ATOM 941 N GLY A 59 192.140 0.137 4.478 1.00 0.00 N ATOM 942 CA GLY A 59 191.398 -0.757 5.348 1.00 0.00 C ATOM 943 C GLY A 59 189.982 -1.000 4.860 1.00 0.00 C ATOM 944 O GLY A 59 189.633 -0.627 3.741 1.00 0.00 O ATOM 0 H GLY A 59 191.800 0.181 3.517 1.00 0.00 H new ATOM 0 HA2 GLY A 59 191.923 -1.710 5.418 1.00 0.00 H new ATOM 0 HA3 GLY A 59 191.365 -0.336 6.353 1.00 0.00 H new ATOM 948 N VAL A 60 189.168 -1.630 5.702 1.00 0.00 N ATOM 949 CA VAL A 60 187.783 -1.923 5.350 1.00 0.00 C ATOM 950 C VAL A 60 186.819 -1.046 6.139 1.00 0.00 C ATOM 951 O VAL A 60 186.789 -1.089 7.369 1.00 0.00 O ATOM 952 CB VAL A 60 187.433 -3.404 5.601 1.00 0.00 C ATOM 953 CG1 VAL A 60 186.207 -3.809 4.794 1.00 0.00 C ATOM 954 CG2 VAL A 60 188.619 -4.302 5.273 1.00 0.00 C ATOM 0 H VAL A 60 189.443 -1.947 6.632 1.00 0.00 H new ATOM 0 HA VAL A 60 187.679 -1.711 4.286 1.00 0.00 H new ATOM 0 HB VAL A 60 187.200 -3.526 6.659 1.00 0.00 H new ATOM 0 HG11 VAL A 60 185.976 -4.857 4.984 1.00 0.00 H new ATOM 0 HG12 VAL A 60 185.358 -3.191 5.087 1.00 0.00 H new ATOM 0 HG13 VAL A 60 186.408 -3.669 3.732 1.00 0.00 H new ATOM 0 HG21 VAL A 60 188.350 -5.342 5.457 1.00 0.00 H new ATOM 0 HG22 VAL A 60 188.891 -4.178 4.225 1.00 0.00 H new ATOM 0 HG23 VAL A 60 189.467 -4.030 5.902 1.00 0.00 H new ATOM 964 N LEU A 61 186.031 -0.248 5.425 1.00 0.00 N ATOM 965 CA LEU A 61 185.065 0.642 6.060 1.00 0.00 C ATOM 966 C LEU A 61 183.677 0.008 6.088 1.00 0.00 C ATOM 967 O LEU A 61 183.030 -0.138 5.052 1.00 0.00 O ATOM 968 CB LEU A 61 185.010 1.979 5.320 1.00 0.00 C ATOM 969 CG LEU A 61 186.040 3.013 5.776 1.00 0.00 C ATOM 970 CD1 LEU A 61 185.743 3.470 7.196 1.00 0.00 C ATOM 971 CD2 LEU A 61 187.446 2.443 5.680 1.00 0.00 C ATOM 0 H LEU A 61 186.042 -0.199 4.406 1.00 0.00 H new ATOM 0 HA LEU A 61 185.388 0.814 7.087 1.00 0.00 H new ATOM 0 HB2 LEU A 61 185.150 1.794 4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 61 184.013 2.403 5.441 1.00 0.00 H new ATOM 0 HG LEU A 61 185.975 3.878 5.116 1.00 0.00 H new ATOM 0 HD11 LEU A 61 186.486 4.206 7.504 1.00 0.00 H new ATOM 0 HD12 LEU A 61 184.750 3.919 7.234 1.00 0.00 H new ATOM 0 HD13 LEU A 61 185.780 2.613 7.869 1.00 0.00 H new ATOM 0 HD21 LEU A 61 188.166 3.193 6.008 1.00 0.00 H new ATOM 0 HD22 LEU A 61 187.525 1.561 6.315 1.00 0.00 H new ATOM 0 HD23 LEU A 61 187.657 2.166 4.647 1.00 0.00 H new ATOM 983 N VAL A 62 183.233 -0.378 7.279 1.00 0.00 N ATOM 984 CA VAL A 62 181.928 -1.010 7.439 1.00 0.00 C ATOM 985 C VAL A 62 180.851 0.011 7.789 1.00 0.00 C ATOM 986 O VAL A 62 180.721 0.420 8.943 1.00 0.00 O ATOM 987 CB VAL A 62 181.963 -2.088 8.538 1.00 0.00 C ATOM 988 CG1 VAL A 62 180.662 -2.876 8.556 1.00 0.00 C ATOM 989 CG2 VAL A 62 183.153 -3.015 8.337 1.00 0.00 C ATOM 0 H VAL A 62 183.757 -0.265 8.147 1.00 0.00 H new ATOM 0 HA VAL A 62 181.686 -1.472 6.482 1.00 0.00 H new ATOM 0 HB VAL A 62 182.074 -1.594 9.503 1.00 0.00 H new ATOM 0 HG11 VAL A 62 180.706 -3.633 9.339 1.00 0.00 H new ATOM 0 HG12 VAL A 62 179.830 -2.200 8.751 1.00 0.00 H new ATOM 0 HG13 VAL A 62 180.517 -3.361 7.591 1.00 0.00 H new ATOM 0 HG21 VAL A 62 183.162 -3.771 9.122 1.00 0.00 H new ATOM 0 HG22 VAL A 62 183.074 -3.503 7.365 1.00 0.00 H new ATOM 0 HG23 VAL A 62 184.076 -2.437 8.379 1.00 0.00 H new ATOM 999 N ALA A 63 180.075 0.416 6.789 1.00 0.00 N ATOM 1000 CA ALA A 63 179.005 1.383 6.995 1.00 0.00 C ATOM 1001 C ALA A 63 177.700 0.684 7.365 1.00 0.00 C ATOM 1002 O ALA A 63 176.997 0.162 6.501 1.00 0.00 O ATOM 1003 CB ALA A 63 178.812 2.232 5.750 1.00 0.00 C ATOM 0 H ALA A 63 180.168 0.089 5.827 1.00 0.00 H new ATOM 0 HA ALA A 63 179.291 2.032 7.823 1.00 0.00 H new ATOM 0 HB1 ALA A 63 178.009 2.949 5.920 1.00 0.00 H new ATOM 0 HB2 ALA A 63 179.735 2.767 5.527 1.00 0.00 H new ATOM 0 HB3 ALA A 63 178.553 1.590 4.908 1.00 0.00 H new ATOM 1009 N SER A 64 177.382 0.678 8.655 1.00 0.00 N ATOM 1010 CA SER A 64 176.162 0.041 9.138 1.00 0.00 C ATOM 1011 C SER A 64 174.983 1.009 9.078 1.00 0.00 C ATOM 1012 O SER A 64 175.031 2.098 9.649 1.00 0.00 O ATOM 1013 CB SER A 64 176.353 -0.462 10.572 1.00 0.00 C ATOM 1014 OG SER A 64 177.596 -0.035 11.103 1.00 0.00 O ATOM 0 H SER A 64 177.952 1.107 9.385 1.00 0.00 H new ATOM 0 HA SER A 64 175.946 -0.809 8.490 1.00 0.00 H new ATOM 0 HB2 SER A 64 175.541 -0.096 11.200 1.00 0.00 H new ATOM 0 HB3 SER A 64 176.302 -1.551 10.588 1.00 0.00 H new ATOM 0 HG SER A 64 177.555 0.924 11.300 1.00 0.00 H new ATOM 1020 N GLY A 65 173.927 0.603 8.380 1.00 0.00 N ATOM 1021 CA GLY A 65 172.752 1.445 8.256 1.00 0.00 C ATOM 1022 C GLY A 65 171.515 0.806 8.857 1.00 0.00 C ATOM 1023 O GLY A 65 170.837 0.012 8.203 1.00 0.00 O ATOM 0 H GLY A 65 173.864 -0.294 7.898 1.00 0.00 H new ATOM 0 HA2 GLY A 65 172.939 2.400 8.747 1.00 0.00 H new ATOM 0 HA3 GLY A 65 172.571 1.659 7.203 1.00 0.00 H new ATOM 1027 N LYS A 66 171.220 1.152 10.105 1.00 0.00 N ATOM 1028 CA LYS A 66 170.056 0.607 10.795 1.00 0.00 C ATOM 1029 C LYS A 66 168.924 1.629 10.838 1.00 0.00 C ATOM 1030 O LYS A 66 168.990 2.608 11.583 1.00 0.00 O ATOM 1031 CB LYS A 66 170.431 0.185 12.217 1.00 0.00 C ATOM 1032 CG LYS A 66 171.707 -0.638 12.290 1.00 0.00 C ATOM 1033 CD LYS A 66 171.500 -2.035 11.728 1.00 0.00 C ATOM 1034 CE LYS A 66 171.230 -3.045 12.831 1.00 0.00 C ATOM 1035 NZ LYS A 66 171.591 -4.429 12.419 1.00 0.00 N ATOM 0 H LYS A 66 171.771 1.807 10.660 1.00 0.00 H new ATOM 0 HA LYS A 66 169.713 -0.268 10.243 1.00 0.00 H new ATOM 0 HB2 LYS A 66 170.548 1.077 12.833 1.00 0.00 H new ATOM 0 HB3 LYS A 66 169.611 -0.392 12.644 1.00 0.00 H new ATOM 0 HG2 LYS A 66 172.498 -0.135 11.735 1.00 0.00 H new ATOM 0 HG3 LYS A 66 172.039 -0.707 13.326 1.00 0.00 H new ATOM 0 HD2 LYS A 66 170.664 -2.027 11.028 1.00 0.00 H new ATOM 0 HD3 LYS A 66 172.384 -2.337 11.165 1.00 0.00 H new ATOM 0 HE2 LYS A 66 171.798 -2.771 13.720 1.00 0.00 H new ATOM 0 HE3 LYS A 66 170.175 -3.011 13.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 171.586 -5.052 13.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 170.900 -4.776 11.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 172.540 -4.428 11.993 1.00 0.00 H new ATOM 1049 N HIS A 67 167.887 1.401 10.036 1.00 0.00 N ATOM 1050 CA HIS A 67 166.748 2.314 9.996 1.00 0.00 C ATOM 1051 C HIS A 67 165.575 1.712 9.229 1.00 0.00 C ATOM 1052 O HIS A 67 165.765 0.946 8.284 1.00 0.00 O ATOM 1053 CB HIS A 67 167.161 3.646 9.363 1.00 0.00 C ATOM 1054 CG HIS A 67 166.952 4.825 10.263 1.00 0.00 C ATOM 1055 ND1 HIS A 67 167.710 5.054 11.391 1.00 0.00 N ATOM 1056 CD2 HIS A 67 166.063 5.844 10.194 1.00 0.00 C ATOM 1057 CE1 HIS A 67 167.296 6.163 11.979 1.00 0.00 C ATOM 1058 NE2 HIS A 67 166.298 6.660 11.273 1.00 0.00 N ATOM 0 H HIS A 67 167.812 0.599 9.410 1.00 0.00 H new ATOM 0 HA HIS A 67 166.424 2.487 11.022 1.00 0.00 H new ATOM 0 HB2 HIS A 67 168.213 3.595 9.082 1.00 0.00 H new ATOM 0 HB3 HIS A 67 166.593 3.795 8.445 1.00 0.00 H new ATOM 0 HD1 HIS A 67 168.471 4.461 11.721 1.00 0.00 H new ATOM 0 HD2 HIS A 67 165.310 5.988 9.433 1.00 0.00 H new ATOM 0 HE1 HIS A 67 167.705 6.590 12.883 1.00 0.00 H new ATOM 1067 N GLU A 68 164.362 2.066 9.642 1.00 0.00 N ATOM 1068 CA GLU A 68 163.152 1.565 8.998 1.00 0.00 C ATOM 1069 C GLU A 68 163.093 1.988 7.535 1.00 0.00 C ATOM 1070 O GLU A 68 162.764 1.188 6.659 1.00 0.00 O ATOM 1071 CB GLU A 68 161.911 2.071 9.735 1.00 0.00 C ATOM 1072 CG GLU A 68 161.684 1.400 11.080 1.00 0.00 C ATOM 1073 CD GLU A 68 160.971 2.302 12.070 1.00 0.00 C ATOM 1074 OE1 GLU A 68 160.925 3.527 11.831 1.00 0.00 O ATOM 1075 OE2 GLU A 68 160.461 1.783 13.085 1.00 0.00 O ATOM 0 H GLU A 68 164.190 2.700 10.422 1.00 0.00 H new ATOM 0 HA GLU A 68 163.176 0.476 9.040 1.00 0.00 H new ATOM 0 HB2 GLU A 68 162.002 3.147 9.886 1.00 0.00 H new ATOM 0 HB3 GLU A 68 161.035 1.911 9.106 1.00 0.00 H new ATOM 0 HG2 GLU A 68 161.099 0.492 10.935 1.00 0.00 H new ATOM 0 HG3 GLU A 68 162.644 1.097 11.497 1.00 0.00 H new ATOM 1082 N ASP A 69 163.413 3.251 7.274 1.00 0.00 N ATOM 1083 CA ASP A 69 163.394 3.778 5.915 1.00 0.00 C ATOM 1084 C ASP A 69 164.642 3.347 5.152 1.00 0.00 C ATOM 1085 O ASP A 69 165.738 3.301 5.712 1.00 0.00 O ATOM 1086 CB ASP A 69 163.293 5.305 5.936 1.00 0.00 C ATOM 1087 CG ASP A 69 161.872 5.792 5.726 1.00 0.00 C ATOM 1088 OD1 ASP A 69 161.087 5.069 5.079 1.00 0.00 O ATOM 1089 OD2 ASP A 69 161.547 6.898 6.207 1.00 0.00 O ATOM 0 H ASP A 69 163.688 3.928 7.985 1.00 0.00 H new ATOM 0 HA ASP A 69 162.519 3.374 5.406 1.00 0.00 H new ATOM 0 HB2 ASP A 69 163.665 5.678 6.890 1.00 0.00 H new ATOM 0 HB3 ASP A 69 163.935 5.720 5.159 1.00 0.00 H new ATOM 1094 N MET A 70 164.468 3.021 3.876 1.00 0.00 N ATOM 1095 CA MET A 70 165.583 2.582 3.046 1.00 0.00 C ATOM 1096 C MET A 70 166.557 3.727 2.772 1.00 0.00 C ATOM 1097 O MET A 70 167.765 3.579 2.956 1.00 0.00 O ATOM 1098 CB MET A 70 165.073 1.964 1.732 1.00 0.00 C ATOM 1099 CG MET A 70 164.656 2.969 0.664 1.00 0.00 C ATOM 1100 SD MET A 70 163.054 3.726 0.998 1.00 0.00 S ATOM 1101 CE MET A 70 161.945 2.422 0.468 1.00 0.00 C ATOM 0 H MET A 70 163.569 3.052 3.395 1.00 0.00 H new ATOM 0 HA MET A 70 166.127 1.813 3.595 1.00 0.00 H new ATOM 0 HB2 MET A 70 165.855 1.325 1.322 1.00 0.00 H new ATOM 0 HB3 MET A 70 164.221 1.322 1.957 1.00 0.00 H new ATOM 0 HG2 MET A 70 165.413 3.750 0.592 1.00 0.00 H new ATOM 0 HG3 MET A 70 164.621 2.469 -0.304 1.00 0.00 H new ATOM 0 HE1 MET A 70 161.295 2.796 -0.323 1.00 0.00 H new ATOM 0 HE2 MET A 70 162.527 1.580 0.092 1.00 0.00 H new ATOM 0 HE3 MET A 70 161.338 2.095 1.312 1.00 0.00 H new ATOM 1111 N TYR A 71 166.033 4.869 2.337 1.00 0.00 N ATOM 1112 CA TYR A 71 166.874 6.023 2.044 1.00 0.00 C ATOM 1113 C TYR A 71 167.508 6.566 3.317 1.00 0.00 C ATOM 1114 O TYR A 71 168.621 7.092 3.288 1.00 0.00 O ATOM 1115 CB TYR A 71 166.063 7.109 1.333 1.00 0.00 C ATOM 1116 CG TYR A 71 165.993 6.934 -0.174 1.00 0.00 C ATOM 1117 CD1 TYR A 71 166.593 5.847 -0.806 1.00 0.00 C ATOM 1118 CD2 TYR A 71 165.322 7.858 -0.966 1.00 0.00 C ATOM 1119 CE1 TYR A 71 166.530 5.689 -2.175 1.00 0.00 C ATOM 1120 CE2 TYR A 71 165.253 7.705 -2.340 1.00 0.00 C ATOM 1121 CZ TYR A 71 165.859 6.621 -2.938 1.00 0.00 C ATOM 1122 OH TYR A 71 165.792 6.466 -4.303 1.00 0.00 O ATOM 0 H TYR A 71 165.036 5.019 2.181 1.00 0.00 H new ATOM 0 HA TYR A 71 167.676 5.704 1.379 1.00 0.00 H new ATOM 0 HB2 TYR A 71 165.050 7.116 1.736 1.00 0.00 H new ATOM 0 HB3 TYR A 71 166.501 8.082 1.556 1.00 0.00 H new ATOM 0 HD1 TYR A 71 167.118 5.113 -0.212 1.00 0.00 H new ATOM 0 HD2 TYR A 71 164.847 8.709 -0.502 1.00 0.00 H new ATOM 0 HE1 TYR A 71 167.003 4.840 -2.646 1.00 0.00 H new ATOM 0 HE2 TYR A 71 164.727 8.432 -2.941 1.00 0.00 H new ATOM 0 HH TYR A 71 165.283 7.208 -4.692 1.00 0.00 H new ATOM 1132 N THR A 72 166.812 6.410 4.435 1.00 0.00 N ATOM 1133 CA THR A 72 167.337 6.861 5.715 1.00 0.00 C ATOM 1134 C THR A 72 168.428 5.906 6.191 1.00 0.00 C ATOM 1135 O THR A 72 169.307 6.283 6.965 1.00 0.00 O ATOM 1136 CB THR A 72 166.222 6.949 6.756 1.00 0.00 C ATOM 1137 OG1 THR A 72 165.013 7.390 6.161 1.00 0.00 O ATOM 1138 CG2 THR A 72 166.540 7.891 7.897 1.00 0.00 C ATOM 0 H THR A 72 165.889 5.978 4.481 1.00 0.00 H new ATOM 0 HA THR A 72 167.763 7.856 5.586 1.00 0.00 H new ATOM 0 HB THR A 72 166.122 5.940 7.156 1.00 0.00 H new ATOM 0 HG1 THR A 72 164.392 7.682 6.860 1.00 0.00 H new ATOM 0 HG21 THR A 72 165.707 7.906 8.599 1.00 0.00 H new ATOM 0 HG22 THR A 72 167.440 7.551 8.409 1.00 0.00 H new ATOM 0 HG23 THR A 72 166.702 8.895 7.505 1.00 0.00 H new ATOM 1146 N ALA A 73 168.366 4.666 5.705 1.00 0.00 N ATOM 1147 CA ALA A 73 169.347 3.651 6.060 1.00 0.00 C ATOM 1148 C ALA A 73 170.682 3.934 5.379 1.00 0.00 C ATOM 1149 O ALA A 73 171.745 3.752 5.976 1.00 0.00 O ATOM 1150 CB ALA A 73 168.836 2.268 5.681 1.00 0.00 C ATOM 0 H ALA A 73 167.642 4.344 5.062 1.00 0.00 H new ATOM 0 HA ALA A 73 169.501 3.680 7.139 1.00 0.00 H new ATOM 0 HB1 ALA A 73 169.580 1.518 5.952 1.00 0.00 H new ATOM 0 HB2 ALA A 73 167.906 2.065 6.212 1.00 0.00 H new ATOM 0 HB3 ALA A 73 168.656 2.228 4.607 1.00 0.00 H new ATOM 1156 N ILE A 74 170.622 4.389 4.129 1.00 0.00 N ATOM 1157 CA ILE A 74 171.838 4.706 3.377 1.00 0.00 C ATOM 1158 C ILE A 74 172.449 6.011 3.876 1.00 0.00 C ATOM 1159 O ILE A 74 173.670 6.162 3.914 1.00 0.00 O ATOM 1160 CB ILE A 74 171.610 4.823 1.843 1.00 0.00 C ATOM 1161 CG1 ILE A 74 170.185 4.427 1.429 1.00 0.00 C ATOM 1162 CG2 ILE A 74 172.628 3.978 1.092 1.00 0.00 C ATOM 1163 CD1 ILE A 74 169.906 2.939 1.514 1.00 0.00 C ATOM 0 H ILE A 74 169.753 4.546 3.618 1.00 0.00 H new ATOM 0 HA ILE A 74 172.514 3.868 3.548 1.00 0.00 H new ATOM 0 HB ILE A 74 171.742 5.872 1.579 1.00 0.00 H new ATOM 0 HG12 ILE A 74 169.474 4.956 2.063 1.00 0.00 H new ATOM 0 HG13 ILE A 74 170.009 4.761 0.406 1.00 0.00 H new ATOM 0 HG21 ILE A 74 172.456 4.069 0.019 1.00 0.00 H new ATOM 0 HG22 ILE A 74 173.634 4.324 1.329 1.00 0.00 H new ATOM 0 HG23 ILE A 74 172.524 2.934 1.388 1.00 0.00 H new ATOM 0 HD11 ILE A 74 168.879 2.743 1.205 1.00 0.00 H new ATOM 0 HD12 ILE A 74 170.591 2.402 0.858 1.00 0.00 H new ATOM 0 HD13 ILE A 74 170.047 2.600 2.540 1.00 0.00 H new ATOM 1175 N ASN A 75 171.592 6.951 4.259 1.00 0.00 N ATOM 1176 CA ASN A 75 172.050 8.243 4.758 1.00 0.00 C ATOM 1177 C ASN A 75 172.740 8.082 6.107 1.00 0.00 C ATOM 1178 O ASN A 75 173.687 8.804 6.424 1.00 0.00 O ATOM 1179 CB ASN A 75 170.874 9.212 4.883 1.00 0.00 C ATOM 1180 CG ASN A 75 170.589 9.946 3.587 1.00 0.00 C ATOM 1181 OD1 ASN A 75 170.959 11.109 3.426 1.00 0.00 O ATOM 1182 ND2 ASN A 75 169.929 9.268 2.656 1.00 0.00 N ATOM 0 H ASN A 75 170.578 6.843 4.234 1.00 0.00 H new ATOM 0 HA ASN A 75 172.768 8.650 4.046 1.00 0.00 H new ATOM 0 HB2 ASN A 75 169.984 8.662 5.189 1.00 0.00 H new ATOM 0 HB3 ASN A 75 171.086 9.937 5.669 1.00 0.00 H new ATOM 0 HD21 ASN A 75 169.709 9.710 1.763 1.00 0.00 H new ATOM 0 HD22 ASN A 75 169.642 8.305 2.833 1.00 0.00 H new ATOM 1189 N GLU A 76 172.260 7.129 6.899 1.00 0.00 N ATOM 1190 CA GLU A 76 172.831 6.871 8.213 1.00 0.00 C ATOM 1191 C GLU A 76 174.179 6.164 8.096 1.00 0.00 C ATOM 1192 O GLU A 76 175.136 6.510 8.791 1.00 0.00 O ATOM 1193 CB GLU A 76 171.869 6.025 9.052 1.00 0.00 C ATOM 1194 CG GLU A 76 172.365 5.765 10.466 1.00 0.00 C ATOM 1195 CD GLU A 76 171.322 6.084 11.521 1.00 0.00 C ATOM 1196 OE1 GLU A 76 170.131 6.191 11.165 1.00 0.00 O ATOM 1197 OE2 GLU A 76 171.700 6.227 12.703 1.00 0.00 O ATOM 0 H GLU A 76 171.477 6.523 6.653 1.00 0.00 H new ATOM 0 HA GLU A 76 172.988 7.830 8.707 1.00 0.00 H new ATOM 0 HB2 GLU A 76 170.903 6.528 9.101 1.00 0.00 H new ATOM 0 HB3 GLU A 76 171.706 5.071 8.551 1.00 0.00 H new ATOM 0 HG2 GLU A 76 172.659 4.719 10.557 1.00 0.00 H new ATOM 0 HG3 GLU A 76 173.257 6.364 10.650 1.00 0.00 H new ATOM 1204 N LEU A 77 174.247 5.167 7.216 1.00 0.00 N ATOM 1205 CA LEU A 77 175.478 4.411 7.019 1.00 0.00 C ATOM 1206 C LEU A 77 176.533 5.243 6.296 1.00 0.00 C ATOM 1207 O LEU A 77 177.718 5.179 6.626 1.00 0.00 O ATOM 1208 CB LEU A 77 175.201 3.121 6.241 1.00 0.00 C ATOM 1209 CG LEU A 77 174.806 3.308 4.775 1.00 0.00 C ATOM 1210 CD1 LEU A 77 176.036 3.554 3.912 1.00 0.00 C ATOM 1211 CD2 LEU A 77 174.038 2.092 4.279 1.00 0.00 C ATOM 0 H LEU A 77 173.467 4.866 6.631 1.00 0.00 H new ATOM 0 HA LEU A 77 175.866 4.153 8.004 1.00 0.00 H new ATOM 0 HB2 LEU A 77 176.092 2.494 6.282 1.00 0.00 H new ATOM 0 HB3 LEU A 77 174.404 2.576 6.747 1.00 0.00 H new ATOM 0 HG LEU A 77 174.160 4.183 4.700 1.00 0.00 H new ATOM 0 HD11 LEU A 77 175.732 3.684 2.873 1.00 0.00 H new ATOM 0 HD12 LEU A 77 176.548 4.453 4.256 1.00 0.00 H new ATOM 0 HD13 LEU A 77 176.710 2.701 3.988 1.00 0.00 H new ATOM 0 HD21 LEU A 77 173.762 2.237 3.234 1.00 0.00 H new ATOM 0 HD22 LEU A 77 174.664 1.204 4.369 1.00 0.00 H new ATOM 0 HD23 LEU A 77 173.136 1.962 4.878 1.00 0.00 H new ATOM 1223 N ILE A 78 176.102 6.021 5.308 1.00 0.00 N ATOM 1224 CA ILE A 78 177.023 6.857 4.544 1.00 0.00 C ATOM 1225 C ILE A 78 177.691 7.901 5.436 1.00 0.00 C ATOM 1226 O ILE A 78 178.896 8.130 5.338 1.00 0.00 O ATOM 1227 CB ILE A 78 176.310 7.556 3.365 1.00 0.00 C ATOM 1228 CG1 ILE A 78 177.334 8.145 2.390 1.00 0.00 C ATOM 1229 CG2 ILE A 78 175.356 8.632 3.865 1.00 0.00 C ATOM 1230 CD1 ILE A 78 178.067 9.360 2.921 1.00 0.00 C ATOM 0 H ILE A 78 175.126 6.090 5.018 1.00 0.00 H new ATOM 0 HA ILE A 78 177.791 6.197 4.140 1.00 0.00 H new ATOM 0 HB ILE A 78 175.721 6.809 2.833 1.00 0.00 H new ATOM 0 HG12 ILE A 78 178.064 7.376 2.138 1.00 0.00 H new ATOM 0 HG13 ILE A 78 176.825 8.417 1.465 1.00 0.00 H new ATOM 0 HG21 ILE A 78 174.867 9.108 3.015 1.00 0.00 H new ATOM 0 HG22 ILE A 78 174.603 8.179 4.510 1.00 0.00 H new ATOM 0 HG23 ILE A 78 175.914 9.380 4.429 1.00 0.00 H new ATOM 0 HD11 ILE A 78 178.773 9.716 2.171 1.00 0.00 H new ATOM 0 HD12 ILE A 78 177.349 10.149 3.146 1.00 0.00 H new ATOM 0 HD13 ILE A 78 178.607 9.091 3.829 1.00 0.00 H new ATOM 1242 N ASN A 79 176.905 8.533 6.303 1.00 0.00 N ATOM 1243 CA ASN A 79 177.437 9.550 7.203 1.00 0.00 C ATOM 1244 C ASN A 79 178.478 8.947 8.146 1.00 0.00 C ATOM 1245 O ASN A 79 179.565 9.499 8.320 1.00 0.00 O ATOM 1246 CB ASN A 79 176.293 10.216 7.991 1.00 0.00 C ATOM 1247 CG ASN A 79 176.240 9.800 9.451 1.00 0.00 C ATOM 1248 OD1 ASN A 79 175.326 8.894 9.775 1.00 0.00 O flip ATOM 1249 ND2 ASN A 79 177.012 10.289 10.277 1.00 0.00 N flip ATOM 0 H ASN A 79 175.905 8.360 6.401 1.00 0.00 H new ATOM 0 HA ASN A 79 177.933 10.317 6.608 1.00 0.00 H new ATOM 0 HB2 ASN A 79 176.405 11.299 7.934 1.00 0.00 H new ATOM 0 HB3 ASN A 79 175.343 9.969 7.516 1.00 0.00 H new ATOM 0 HD21 ASN A 79 177.700 10.983 9.984 1.00 0.00 H new ATOM 0 HD22 ASN A 79 176.964 10.000 11.254 1.00 0.00 H new ATOM 1256 N LYS A 80 178.139 7.811 8.750 1.00 0.00 N ATOM 1257 CA LYS A 80 179.047 7.136 9.670 1.00 0.00 C ATOM 1258 C LYS A 80 180.327 6.711 8.953 1.00 0.00 C ATOM 1259 O LYS A 80 181.431 6.942 9.444 1.00 0.00 O ATOM 1260 CB LYS A 80 178.363 5.917 10.294 1.00 0.00 C ATOM 1261 CG LYS A 80 178.042 6.090 11.770 1.00 0.00 C ATOM 1262 CD LYS A 80 176.669 5.535 12.114 1.00 0.00 C ATOM 1263 CE LYS A 80 175.634 6.643 12.225 1.00 0.00 C ATOM 1264 NZ LYS A 80 174.664 6.389 13.326 1.00 0.00 N ATOM 0 H LYS A 80 177.244 7.340 8.619 1.00 0.00 H new ATOM 0 HA LYS A 80 179.312 7.836 10.463 1.00 0.00 H new ATOM 0 HB2 LYS A 80 177.440 5.711 9.752 1.00 0.00 H new ATOM 0 HB3 LYS A 80 179.007 5.046 10.170 1.00 0.00 H new ATOM 0 HG2 LYS A 80 178.800 5.585 12.369 1.00 0.00 H new ATOM 0 HG3 LYS A 80 178.083 7.148 12.030 1.00 0.00 H new ATOM 0 HD2 LYS A 80 176.361 4.823 11.349 1.00 0.00 H new ATOM 0 HD3 LYS A 80 176.721 4.988 13.056 1.00 0.00 H new ATOM 0 HE2 LYS A 80 176.138 7.594 12.397 1.00 0.00 H new ATOM 0 HE3 LYS A 80 175.096 6.733 11.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 173.697 6.382 12.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 174.869 5.468 13.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 174.747 7.139 14.042 1.00 0.00 H new ATOM 1278 N LEU A 81 180.165 6.093 7.787 1.00 0.00 N ATOM 1279 CA LEU A 81 181.304 5.638 6.993 1.00 0.00 C ATOM 1280 C LEU A 81 182.242 6.799 6.678 1.00 0.00 C ATOM 1281 O LEU A 81 183.464 6.650 6.711 1.00 0.00 O ATOM 1282 CB LEU A 81 180.812 5.000 5.691 1.00 0.00 C ATOM 1283 CG LEU A 81 181.772 3.995 5.050 1.00 0.00 C ATOM 1284 CD1 LEU A 81 181.253 3.554 3.690 1.00 0.00 C ATOM 1285 CD2 LEU A 81 183.163 4.594 4.918 1.00 0.00 C ATOM 0 H LEU A 81 179.256 5.895 7.370 1.00 0.00 H new ATOM 0 HA LEU A 81 181.853 4.897 7.573 1.00 0.00 H new ATOM 0 HB2 LEU A 81 179.865 4.498 5.887 1.00 0.00 H new ATOM 0 HB3 LEU A 81 180.609 5.793 4.971 1.00 0.00 H new ATOM 0 HG LEU A 81 181.834 3.120 5.697 1.00 0.00 H new ATOM 0 HD11 LEU A 81 181.948 2.840 3.249 1.00 0.00 H new ATOM 0 HD12 LEU A 81 180.277 3.084 3.808 1.00 0.00 H new ATOM 0 HD13 LEU A 81 181.162 4.422 3.037 1.00 0.00 H new ATOM 0 HD21 LEU A 81 183.831 3.865 4.460 1.00 0.00 H new ATOM 0 HD22 LEU A 81 183.117 5.486 4.294 1.00 0.00 H new ATOM 0 HD23 LEU A 81 183.539 4.861 5.905 1.00 0.00 H new ATOM 1297 N GLU A 82 181.662 7.952 6.364 1.00 0.00 N ATOM 1298 CA GLU A 82 182.441 9.142 6.034 1.00 0.00 C ATOM 1299 C GLU A 82 183.387 9.515 7.172 1.00 0.00 C ATOM 1300 O GLU A 82 184.594 9.650 6.967 1.00 0.00 O ATOM 1301 CB GLU A 82 181.509 10.315 5.725 1.00 0.00 C ATOM 1302 CG GLU A 82 181.972 11.169 4.557 1.00 0.00 C ATOM 1303 CD GLU A 82 180.996 12.281 4.225 1.00 0.00 C ATOM 1304 OE1 GLU A 82 179.779 12.085 4.428 1.00 0.00 O ATOM 1305 OE2 GLU A 82 181.448 13.350 3.764 1.00 0.00 O ATOM 0 H GLU A 82 180.652 8.089 6.331 1.00 0.00 H new ATOM 0 HA GLU A 82 183.040 8.917 5.152 1.00 0.00 H new ATOM 0 HB2 GLU A 82 180.513 9.929 5.510 1.00 0.00 H new ATOM 0 HB3 GLU A 82 181.423 10.943 6.612 1.00 0.00 H new ATOM 0 HG2 GLU A 82 182.944 11.602 4.791 1.00 0.00 H new ATOM 0 HG3 GLU A 82 182.108 10.536 3.680 1.00 0.00 H new ATOM 1312 N ARG A 83 182.833 9.685 8.368 1.00 0.00 N ATOM 1313 CA ARG A 83 183.628 10.049 9.537 1.00 0.00 C ATOM 1314 C ARG A 83 184.811 9.098 9.718 1.00 0.00 C ATOM 1315 O ARG A 83 185.946 9.533 9.908 1.00 0.00 O ATOM 1316 CB ARG A 83 182.759 10.039 10.796 1.00 0.00 C ATOM 1317 CG ARG A 83 181.451 10.798 10.637 1.00 0.00 C ATOM 1318 CD ARG A 83 181.165 11.681 11.842 1.00 0.00 C ATOM 1319 NE ARG A 83 181.339 13.098 11.536 1.00 0.00 N ATOM 1320 CZ ARG A 83 180.854 14.085 12.286 1.00 0.00 C ATOM 1321 NH1 ARG A 83 180.163 13.812 13.387 1.00 0.00 N ATOM 1322 NH2 ARG A 83 181.057 15.346 11.935 1.00 0.00 N ATOM 0 H ARG A 83 181.836 9.577 8.554 1.00 0.00 H new ATOM 0 HA ARG A 83 184.016 11.055 9.376 1.00 0.00 H new ATOM 0 HB2 ARG A 83 182.540 9.007 11.068 1.00 0.00 H new ATOM 0 HB3 ARG A 83 183.324 10.473 11.621 1.00 0.00 H new ATOM 0 HG2 ARG A 83 181.493 11.412 9.737 1.00 0.00 H new ATOM 0 HG3 ARG A 83 180.633 10.090 10.502 1.00 0.00 H new ATOM 0 HD2 ARG A 83 180.145 11.507 12.185 1.00 0.00 H new ATOM 0 HD3 ARG A 83 181.829 11.403 12.661 1.00 0.00 H new ATOM 0 HE ARG A 83 181.864 13.346 10.697 1.00 0.00 H new ATOM 0 HH11 ARG A 83 180.002 12.843 13.661 1.00 0.00 H new ATOM 0 HH12 ARG A 83 179.793 14.572 13.959 1.00 0.00 H new ATOM 0 HH21 ARG A 83 181.585 15.561 11.089 1.00 0.00 H new ATOM 0 HH22 ARG A 83 180.685 16.102 12.510 1.00 0.00 H new ATOM 1336 N GLN A 84 184.533 7.800 9.655 1.00 0.00 N ATOM 1337 CA GLN A 84 185.571 6.786 9.810 1.00 0.00 C ATOM 1338 C GLN A 84 186.707 7.007 8.813 1.00 0.00 C ATOM 1339 O GLN A 84 187.883 6.998 9.183 1.00 0.00 O ATOM 1340 CB GLN A 84 184.976 5.389 9.624 1.00 0.00 C ATOM 1341 CG GLN A 84 184.300 4.844 10.871 1.00 0.00 C ATOM 1342 CD GLN A 84 183.929 3.380 10.738 1.00 0.00 C ATOM 1343 OE1 GLN A 84 184.127 2.591 11.662 1.00 0.00 O ATOM 1344 NE2 GLN A 84 183.384 3.009 9.585 1.00 0.00 N ATOM 0 H GLN A 84 183.598 7.425 9.498 1.00 0.00 H new ATOM 0 HA GLN A 84 185.979 6.870 10.817 1.00 0.00 H new ATOM 0 HB2 GLN A 84 184.251 5.418 8.811 1.00 0.00 H new ATOM 0 HB3 GLN A 84 185.768 4.704 9.321 1.00 0.00 H new ATOM 0 HG2 GLN A 84 184.965 4.971 11.725 1.00 0.00 H new ATOM 0 HG3 GLN A 84 183.402 5.426 11.077 1.00 0.00 H new ATOM 0 HE21 GLN A 84 183.238 3.696 8.846 1.00 0.00 H new ATOM 0 HE22 GLN A 84 183.112 2.037 9.439 1.00 0.00 H new ATOM 1353 N LEU A 85 186.347 7.203 7.551 1.00 0.00 N ATOM 1354 CA LEU A 85 187.336 7.427 6.500 1.00 0.00 C ATOM 1355 C LEU A 85 188.166 8.672 6.792 1.00 0.00 C ATOM 1356 O LEU A 85 189.373 8.696 6.550 1.00 0.00 O ATOM 1357 CB LEU A 85 186.644 7.568 5.143 1.00 0.00 C ATOM 1358 CG LEU A 85 187.414 6.979 3.960 1.00 0.00 C ATOM 1359 CD1 LEU A 85 186.453 6.424 2.919 1.00 0.00 C ATOM 1360 CD2 LEU A 85 188.324 8.031 3.340 1.00 0.00 C ATOM 0 H LEU A 85 185.379 7.212 7.229 1.00 0.00 H new ATOM 0 HA LEU A 85 188.003 6.566 6.472 1.00 0.00 H new ATOM 0 HB2 LEU A 85 185.668 7.086 5.198 1.00 0.00 H new ATOM 0 HB3 LEU A 85 186.466 8.626 4.951 1.00 0.00 H new ATOM 0 HG LEU A 85 188.033 6.160 4.326 1.00 0.00 H new ATOM 0 HD11 LEU A 85 187.020 6.009 2.085 1.00 0.00 H new ATOM 0 HD12 LEU A 85 185.843 5.641 3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 85 185.807 7.224 2.557 1.00 0.00 H new ATOM 0 HD21 LEU A 85 188.864 7.595 2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 85 187.724 8.870 2.989 1.00 0.00 H new ATOM 0 HD23 LEU A 85 189.036 8.382 4.087 1.00 0.00 H new ATOM 1372 N ASN A 86 187.512 9.704 7.315 1.00 0.00 N ATOM 1373 CA ASN A 86 188.189 10.953 7.640 1.00 0.00 C ATOM 1374 C ASN A 86 189.285 10.727 8.674 1.00 0.00 C ATOM 1375 O ASN A 86 190.320 11.394 8.653 1.00 0.00 O ATOM 1376 CB ASN A 86 187.184 11.981 8.164 1.00 0.00 C ATOM 1377 CG ASN A 86 186.401 12.646 7.050 1.00 0.00 C ATOM 1378 OD1 ASN A 86 186.927 12.887 5.964 1.00 0.00 O ATOM 1379 ND2 ASN A 86 185.134 12.946 7.316 1.00 0.00 N ATOM 0 H ASN A 86 186.513 9.699 7.523 1.00 0.00 H new ATOM 0 HA ASN A 86 188.648 11.334 6.728 1.00 0.00 H new ATOM 0 HB2 ASN A 86 186.491 11.491 8.848 1.00 0.00 H new ATOM 0 HB3 ASN A 86 187.713 12.743 8.737 1.00 0.00 H new ATOM 0 HD21 ASN A 86 184.556 13.395 6.605 1.00 0.00 H new ATOM 0 HD22 ASN A 86 184.739 12.728 8.231 1.00 0.00 H new ATOM 1386 N LYS A 87 189.053 9.785 9.582 1.00 0.00 N ATOM 1387 CA LYS A 87 190.022 9.476 10.628 1.00 0.00 C ATOM 1388 C LYS A 87 191.263 8.845 10.024 1.00 0.00 C ATOM 1389 O LYS A 87 192.379 9.325 10.227 1.00 0.00 O ATOM 1390 CB LYS A 87 189.403 8.544 11.673 1.00 0.00 C ATOM 1391 CG LYS A 87 187.956 8.878 12.015 1.00 0.00 C ATOM 1392 CD LYS A 87 187.708 10.382 12.027 1.00 0.00 C ATOM 1393 CE LYS A 87 188.316 11.037 13.255 1.00 0.00 C ATOM 1394 NZ LYS A 87 188.131 12.515 13.246 1.00 0.00 N ATOM 0 H LYS A 87 188.203 9.222 9.615 1.00 0.00 H new ATOM 0 HA LYS A 87 190.308 10.404 11.122 1.00 0.00 H new ATOM 0 HB2 LYS A 87 189.453 7.519 11.306 1.00 0.00 H new ATOM 0 HB3 LYS A 87 190.001 8.586 12.583 1.00 0.00 H new ATOM 0 HG2 LYS A 87 187.293 8.406 11.289 1.00 0.00 H new ATOM 0 HG3 LYS A 87 187.708 8.461 12.991 1.00 0.00 H new ATOM 0 HD2 LYS A 87 188.132 10.829 11.128 1.00 0.00 H new ATOM 0 HD3 LYS A 87 186.635 10.575 12.004 1.00 0.00 H new ATOM 0 HE2 LYS A 87 187.860 10.620 14.152 1.00 0.00 H new ATOM 0 HE3 LYS A 87 189.380 10.805 13.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 188.560 12.924 14.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 188.588 12.917 12.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 187.115 12.738 13.228 1.00 0.00 H new ATOM 1408 N LEU A 88 191.060 7.785 9.254 1.00 0.00 N ATOM 1409 CA LEU A 88 192.167 7.114 8.595 1.00 0.00 C ATOM 1410 C LEU A 88 192.823 8.058 7.591 1.00 0.00 C ATOM 1411 O LEU A 88 193.943 7.819 7.139 1.00 0.00 O ATOM 1412 CB LEU A 88 191.679 5.847 7.888 1.00 0.00 C ATOM 1413 CG LEU A 88 191.904 4.546 8.661 1.00 0.00 C ATOM 1414 CD1 LEU A 88 190.830 3.527 8.311 1.00 0.00 C ATOM 1415 CD2 LEU A 88 193.289 3.986 8.367 1.00 0.00 C ATOM 0 H LEU A 88 190.144 7.375 9.072 1.00 0.00 H new ATOM 0 HA LEU A 88 192.902 6.829 9.347 1.00 0.00 H new ATOM 0 HB2 LEU A 88 190.613 5.951 7.684 1.00 0.00 H new ATOM 0 HB3 LEU A 88 192.182 5.771 6.924 1.00 0.00 H new ATOM 0 HG LEU A 88 191.839 4.761 9.728 1.00 0.00 H new ATOM 0 HD11 LEU A 88 191.005 2.607 8.870 1.00 0.00 H new ATOM 0 HD12 LEU A 88 189.850 3.928 8.570 1.00 0.00 H new ATOM 0 HD13 LEU A 88 190.864 3.315 7.242 1.00 0.00 H new ATOM 0 HD21 LEU A 88 193.433 3.061 8.925 1.00 0.00 H new ATOM 0 HD22 LEU A 88 193.381 3.785 7.300 1.00 0.00 H new ATOM 0 HD23 LEU A 88 194.046 4.711 8.666 1.00 0.00 H new ATOM 1427 N GLN A 89 192.112 9.133 7.239 1.00 0.00 N ATOM 1428 CA GLN A 89 192.625 10.107 6.281 1.00 0.00 C ATOM 1429 C GLN A 89 193.421 11.201 6.985 1.00 0.00 C ATOM 1430 O GLN A 89 194.481 11.612 6.512 1.00 0.00 O ATOM 1431 CB GLN A 89 191.470 10.728 5.492 1.00 0.00 C ATOM 1432 CG GLN A 89 191.343 10.187 4.077 1.00 0.00 C ATOM 1433 CD GLN A 89 190.866 11.237 3.093 1.00 0.00 C ATOM 1434 OE1 GLN A 89 190.156 12.174 3.461 1.00 0.00 O ATOM 1435 NE2 GLN A 89 191.253 11.086 1.831 1.00 0.00 N ATOM 0 H GLN A 89 191.184 9.347 7.603 1.00 0.00 H new ATOM 0 HA GLN A 89 193.292 9.587 5.593 1.00 0.00 H new ATOM 0 HB2 GLN A 89 190.537 10.548 6.026 1.00 0.00 H new ATOM 0 HB3 GLN A 89 191.609 11.808 5.448 1.00 0.00 H new ATOM 0 HG2 GLN A 89 192.309 9.801 3.751 1.00 0.00 H new ATOM 0 HG3 GLN A 89 190.647 9.348 4.074 1.00 0.00 H new ATOM 0 HE21 GLN A 89 191.841 10.295 1.569 1.00 0.00 H new ATOM 0 HE22 GLN A 89 190.962 11.761 1.124 1.00 0.00 H new ATOM 1444 N HIS A 90 192.897 11.674 8.111 1.00 0.00 N ATOM 1445 CA HIS A 90 193.549 12.729 8.880 1.00 0.00 C ATOM 1446 C HIS A 90 195.009 12.388 9.167 1.00 0.00 C ATOM 1447 O HIS A 90 195.310 11.362 9.780 1.00 0.00 O ATOM 1448 CB HIS A 90 192.800 12.968 10.192 1.00 0.00 C ATOM 1449 CG HIS A 90 192.545 14.415 10.479 1.00 0.00 C ATOM 1450 ND1 HIS A 90 193.439 15.217 11.160 1.00 0.00 N ATOM 1451 CD2 HIS A 90 191.490 15.207 10.174 1.00 0.00 C ATOM 1452 CE1 HIS A 90 192.942 16.439 11.260 1.00 0.00 C ATOM 1453 NE2 HIS A 90 191.764 16.459 10.669 1.00 0.00 N ATOM 0 H HIS A 90 192.020 11.342 8.513 1.00 0.00 H new ATOM 0 HA HIS A 90 193.526 13.640 8.282 1.00 0.00 H new ATOM 0 HB2 HIS A 90 191.848 12.439 10.159 1.00 0.00 H new ATOM 0 HB3 HIS A 90 193.375 12.539 11.013 1.00 0.00 H new ATOM 0 HD2 HIS A 90 190.599 14.910 9.641 1.00 0.00 H new ATOM 0 HE1 HIS A 90 193.420 17.278 11.744 1.00 0.00 H new ATOM 0 HE2 HIS A 90 191.154 17.273 10.592 1.00 0.00 H new ATOM 1462 N LYS A 91 195.911 13.257 8.724 1.00 0.00 N ATOM 1463 CA LYS A 91 197.340 13.058 8.931 1.00 0.00 C ATOM 1464 C LYS A 91 198.098 14.368 8.740 1.00 0.00 C ATOM 1465 O LYS A 91 199.251 14.375 8.308 1.00 0.00 O ATOM 1466 CB LYS A 91 197.877 11.999 7.966 1.00 0.00 C ATOM 1467 CG LYS A 91 199.330 11.630 8.215 1.00 0.00 C ATOM 1468 CD LYS A 91 199.562 10.135 8.064 1.00 0.00 C ATOM 1469 CE LYS A 91 199.163 9.379 9.320 1.00 0.00 C ATOM 1470 NZ LYS A 91 197.685 9.248 9.446 1.00 0.00 N ATOM 0 H LYS A 91 195.676 14.110 8.217 1.00 0.00 H new ATOM 0 HA LYS A 91 197.491 12.713 9.954 1.00 0.00 H new ATOM 0 HB2 LYS A 91 197.264 11.101 8.047 1.00 0.00 H new ATOM 0 HB3 LYS A 91 197.774 12.365 6.944 1.00 0.00 H new ATOM 0 HG2 LYS A 91 199.968 12.170 7.516 1.00 0.00 H new ATOM 0 HG3 LYS A 91 199.619 11.944 9.218 1.00 0.00 H new ATOM 0 HD2 LYS A 91 198.989 9.761 7.216 1.00 0.00 H new ATOM 0 HD3 LYS A 91 200.614 9.949 7.845 1.00 0.00 H new ATOM 0 HE2 LYS A 91 199.615 8.387 9.305 1.00 0.00 H new ATOM 0 HE3 LYS A 91 199.557 9.896 10.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 197.459 8.425 10.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 197.296 10.108 9.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 197.266 9.119 8.503 1.00 0.00 H new ATOM 1484 N GLY A 92 197.438 15.476 9.064 1.00 0.00 N ATOM 1485 CA GLY A 92 198.058 16.780 8.921 1.00 0.00 C ATOM 1486 C GLY A 92 197.099 17.818 8.384 1.00 0.00 C ATOM 1487 O GLY A 92 196.185 17.499 7.623 1.00 0.00 O ATOM 0 H GLY A 92 196.484 15.493 9.423 1.00 0.00 H new ATOM 0 HA2 GLY A 92 198.438 17.107 9.889 1.00 0.00 H new ATOM 0 HA3 GLY A 92 198.915 16.701 8.252 1.00 0.00 H new ATOM 1491 N GLU A 93 197.307 19.064 8.787 1.00 0.00 N ATOM 1492 CA GLU A 93 196.458 20.158 8.348 1.00 0.00 C ATOM 1493 C GLU A 93 197.304 21.267 7.710 1.00 0.00 C ATOM 1494 O GLU A 93 198.173 20.984 6.884 1.00 0.00 O ATOM 1495 CB GLU A 93 195.645 20.687 9.537 1.00 0.00 C ATOM 1496 CG GLU A 93 194.338 21.351 9.136 1.00 0.00 C ATOM 1497 CD GLU A 93 193.132 20.472 9.401 1.00 0.00 C ATOM 1498 OE1 GLU A 93 193.165 19.698 10.381 1.00 0.00 O ATOM 1499 OE2 GLU A 93 192.153 20.558 8.629 1.00 0.00 O ATOM 0 H GLU A 93 198.059 19.341 9.419 1.00 0.00 H new ATOM 0 HA GLU A 93 195.763 19.797 7.590 1.00 0.00 H new ATOM 0 HB2 GLU A 93 195.430 19.861 10.215 1.00 0.00 H new ATOM 0 HB3 GLU A 93 196.252 21.404 10.091 1.00 0.00 H new ATOM 0 HG2 GLU A 93 194.228 22.287 9.683 1.00 0.00 H new ATOM 0 HG3 GLU A 93 194.373 21.603 8.076 1.00 0.00 H new ATOM 1506 N ALA A 94 197.054 22.519 8.083 1.00 0.00 N ATOM 1507 CA ALA A 94 197.802 23.647 7.534 1.00 0.00 C ATOM 1508 C ALA A 94 197.779 23.632 6.007 1.00 0.00 C ATOM 1509 O ALA A 94 197.051 22.850 5.397 1.00 0.00 O ATOM 1510 CB ALA A 94 199.236 23.623 8.042 1.00 0.00 C ATOM 0 H ALA A 94 196.339 22.778 8.763 1.00 0.00 H new ATOM 0 HA ALA A 94 197.323 24.567 7.869 1.00 0.00 H new ATOM 0 HB1 ALA A 94 199.784 24.469 7.626 1.00 0.00 H new ATOM 0 HB2 ALA A 94 199.238 23.689 9.130 1.00 0.00 H new ATOM 0 HB3 ALA A 94 199.715 22.694 7.735 1.00 0.00 H new ATOM 1516 N ARG A 95 198.580 24.501 5.400 1.00 0.00 N ATOM 1517 CA ARG A 95 198.652 24.583 3.944 1.00 0.00 C ATOM 1518 C ARG A 95 199.072 23.243 3.348 1.00 0.00 C ATOM 1519 O ARG A 95 200.092 22.674 3.733 1.00 0.00 O ATOM 1520 CB ARG A 95 199.636 25.679 3.523 1.00 0.00 C ATOM 1521 CG ARG A 95 198.958 26.963 3.071 1.00 0.00 C ATOM 1522 CD ARG A 95 198.845 27.965 4.209 1.00 0.00 C ATOM 1523 NE ARG A 95 197.707 27.678 5.080 1.00 0.00 N ATOM 1524 CZ ARG A 95 197.134 28.579 5.876 1.00 0.00 C ATOM 1525 NH1 ARG A 95 197.592 29.824 5.918 1.00 0.00 N ATOM 1526 NH2 ARG A 95 196.102 28.232 6.633 1.00 0.00 N ATOM 0 H ARG A 95 199.187 25.157 5.891 1.00 0.00 H new ATOM 0 HA ARG A 95 197.661 24.833 3.565 1.00 0.00 H new ATOM 0 HB2 ARG A 95 200.298 25.902 4.359 1.00 0.00 H new ATOM 0 HB3 ARG A 95 200.261 25.303 2.713 1.00 0.00 H new ATOM 0 HG2 ARG A 95 199.524 27.405 2.251 1.00 0.00 H new ATOM 0 HG3 ARG A 95 197.964 26.735 2.686 1.00 0.00 H new ATOM 0 HD2 ARG A 95 199.763 27.952 4.796 1.00 0.00 H new ATOM 0 HD3 ARG A 95 198.743 28.970 3.799 1.00 0.00 H new ATOM 0 HE ARG A 95 197.329 26.731 5.078 1.00 0.00 H new ATOM 0 HH11 ARG A 95 198.387 30.095 5.339 1.00 0.00 H new ATOM 0 HH12 ARG A 95 197.149 30.510 6.529 1.00 0.00 H new ATOM 0 HH21 ARG A 95 195.748 27.276 6.605 1.00 0.00 H new ATOM 0 HH22 ARG A 95 195.662 28.921 7.243 1.00 0.00 H new ATOM 1540 N ARG A 96 198.274 22.741 2.410 1.00 0.00 N ATOM 1541 CA ARG A 96 198.562 21.465 1.768 1.00 0.00 C ATOM 1542 C ARG A 96 199.714 21.595 0.770 1.00 0.00 C ATOM 1543 O ARG A 96 200.387 20.614 0.456 1.00 0.00 O ATOM 1544 CB ARG A 96 197.293 20.915 1.088 1.00 0.00 C ATOM 1545 CG ARG A 96 197.295 20.983 -0.435 1.00 0.00 C ATOM 1546 CD ARG A 96 197.161 22.413 -0.934 1.00 0.00 C ATOM 1547 NE ARG A 96 197.742 22.584 -2.264 1.00 0.00 N ATOM 1548 CZ ARG A 96 197.438 23.589 -3.083 1.00 0.00 C ATOM 1549 NH1 ARG A 96 196.567 24.518 -2.712 1.00 0.00 N ATOM 1550 NH2 ARG A 96 198.011 23.665 -4.278 1.00 0.00 N ATOM 0 H ARG A 96 197.425 23.198 2.079 1.00 0.00 H new ATOM 0 HA ARG A 96 198.876 20.756 2.534 1.00 0.00 H new ATOM 0 HB2 ARG A 96 197.159 19.876 1.390 1.00 0.00 H new ATOM 0 HB3 ARG A 96 196.431 21.469 1.460 1.00 0.00 H new ATOM 0 HG2 ARG A 96 198.219 20.549 -0.817 1.00 0.00 H new ATOM 0 HG3 ARG A 96 196.474 20.382 -0.827 1.00 0.00 H new ATOM 0 HD2 ARG A 96 196.107 22.691 -0.960 1.00 0.00 H new ATOM 0 HD3 ARG A 96 197.652 23.089 -0.234 1.00 0.00 H new ATOM 0 HE ARG A 96 198.420 21.893 -2.584 1.00 0.00 H new ATOM 0 HH11 ARG A 96 196.125 24.465 -1.794 1.00 0.00 H new ATOM 0 HH12 ARG A 96 196.339 25.285 -3.345 1.00 0.00 H new ATOM 0 HH21 ARG A 96 198.683 22.954 -4.568 1.00 0.00 H new ATOM 0 HH22 ARG A 96 197.779 24.434 -4.907 1.00 0.00 H new ATOM 1564 N ALA A 97 199.936 22.811 0.276 1.00 0.00 N ATOM 1565 CA ALA A 97 201.007 23.061 -0.683 1.00 0.00 C ATOM 1566 C ALA A 97 201.037 24.526 -1.106 1.00 0.00 C ATOM 1567 O ALA A 97 202.106 25.108 -1.290 1.00 0.00 O ATOM 1568 CB ALA A 97 200.849 22.165 -1.903 1.00 0.00 C ATOM 0 H ALA A 97 199.390 23.636 0.524 1.00 0.00 H new ATOM 0 HA ALA A 97 201.954 22.829 -0.195 1.00 0.00 H new ATOM 0 HB1 ALA A 97 201.656 22.365 -2.608 1.00 0.00 H new ATOM 0 HB2 ALA A 97 200.887 21.120 -1.594 1.00 0.00 H new ATOM 0 HB3 ALA A 97 199.891 22.368 -2.382 1.00 0.00 H new ATOM 1574 N ALA A 98 199.856 25.117 -1.260 1.00 0.00 N ATOM 1575 CA ALA A 98 199.747 26.515 -1.664 1.00 0.00 C ATOM 1576 C ALA A 98 200.290 26.720 -3.075 1.00 0.00 C ATOM 1577 O ALA A 98 201.183 26.000 -3.517 1.00 0.00 O ATOM 1578 CB ALA A 98 200.479 27.414 -0.678 1.00 0.00 C ATOM 0 H ALA A 98 198.961 24.650 -1.111 1.00 0.00 H new ATOM 0 HA ALA A 98 198.691 26.785 -1.664 1.00 0.00 H new ATOM 0 HB1 ALA A 98 200.387 28.453 -0.995 1.00 0.00 H new ATOM 0 HB2 ALA A 98 200.042 27.298 0.314 1.00 0.00 H new ATOM 0 HB3 ALA A 98 201.533 27.136 -0.646 1.00 0.00 H new ATOM 1584 N THR A 99 199.742 27.707 -3.775 1.00 0.00 N ATOM 1585 CA THR A 99 200.168 28.008 -5.137 1.00 0.00 C ATOM 1586 C THR A 99 201.112 29.207 -5.160 1.00 0.00 C ATOM 1587 O THR A 99 201.176 29.942 -6.146 1.00 0.00 O ATOM 1588 CB THR A 99 198.948 28.276 -6.022 1.00 0.00 C ATOM 1589 OG1 THR A 99 199.341 28.784 -7.283 1.00 0.00 O ATOM 1590 CG2 THR A 99 197.975 29.262 -5.415 1.00 0.00 C ATOM 0 H THR A 99 199.001 28.313 -3.422 1.00 0.00 H new ATOM 0 HA THR A 99 200.707 27.144 -5.527 1.00 0.00 H new ATOM 0 HB THR A 99 198.450 27.312 -6.124 1.00 0.00 H new ATOM 0 HG1 THR A 99 199.753 29.666 -7.167 1.00 0.00 H new ATOM 0 HG21 THR A 99 197.134 29.407 -6.093 1.00 0.00 H new ATOM 0 HG22 THR A 99 197.611 28.875 -4.463 1.00 0.00 H new ATOM 0 HG23 THR A 99 198.478 30.215 -5.251 1.00 0.00 H new ATOM 1598 N SER A 100 201.842 29.402 -4.067 1.00 0.00 N ATOM 1599 CA SER A 100 202.779 30.516 -3.961 1.00 0.00 C ATOM 1600 C SER A 100 204.195 30.085 -4.335 1.00 0.00 C ATOM 1601 O SER A 100 205.004 30.900 -4.774 1.00 0.00 O ATOM 1602 CB SER A 100 202.767 31.085 -2.541 1.00 0.00 C ATOM 1603 OG SER A 100 201.486 31.588 -2.203 1.00 0.00 O ATOM 0 H SER A 100 201.803 28.804 -3.242 1.00 0.00 H new ATOM 0 HA SER A 100 202.461 31.288 -4.661 1.00 0.00 H new ATOM 0 HB2 SER A 100 203.055 30.308 -1.832 1.00 0.00 H new ATOM 0 HB3 SER A 100 203.507 31.881 -2.459 1.00 0.00 H new ATOM 0 HG SER A 100 201.505 31.944 -1.290 1.00 0.00 H new ATOM 1609 N VAL A 101 204.487 28.800 -4.158 1.00 0.00 N ATOM 1610 CA VAL A 101 205.812 28.272 -4.483 1.00 0.00 C ATOM 1611 C VAL A 101 205.973 28.116 -5.991 1.00 0.00 C ATOM 1612 O VAL A 101 206.787 28.800 -6.613 1.00 0.00 O ATOM 1613 CB VAL A 101 206.105 26.908 -3.802 1.00 0.00 C ATOM 1614 CG1 VAL A 101 207.355 27.001 -2.941 1.00 0.00 C ATOM 1615 CG2 VAL A 101 204.922 26.427 -2.968 1.00 0.00 C ATOM 0 H VAL A 101 203.831 28.108 -3.794 1.00 0.00 H new ATOM 0 HA VAL A 101 206.528 28.998 -4.098 1.00 0.00 H new ATOM 0 HB VAL A 101 206.272 26.176 -4.592 1.00 0.00 H new ATOM 0 HG11 VAL A 101 207.546 26.036 -2.471 1.00 0.00 H new ATOM 0 HG12 VAL A 101 208.206 27.276 -3.564 1.00 0.00 H new ATOM 0 HG13 VAL A 101 207.210 27.758 -2.170 1.00 0.00 H new ATOM 0 HG21 VAL A 101 205.167 25.470 -2.508 1.00 0.00 H new ATOM 0 HG22 VAL A 101 204.704 27.158 -2.190 1.00 0.00 H new ATOM 0 HG23 VAL A 101 204.049 26.309 -3.609 1.00 0.00 H new ATOM 1625 N LYS A 102 205.189 27.216 -6.575 1.00 0.00 N ATOM 1626 CA LYS A 102 205.241 26.978 -8.012 1.00 0.00 C ATOM 1627 C LYS A 102 204.353 27.970 -8.754 1.00 0.00 C ATOM 1628 O LYS A 102 204.731 28.497 -9.800 1.00 0.00 O ATOM 1629 CB LYS A 102 204.804 25.547 -8.329 1.00 0.00 C ATOM 1630 CG LYS A 102 203.361 25.252 -7.955 1.00 0.00 C ATOM 1631 CD LYS A 102 203.142 23.768 -7.708 1.00 0.00 C ATOM 1632 CE LYS A 102 202.293 23.529 -6.470 1.00 0.00 C ATOM 1633 NZ LYS A 102 202.927 24.089 -5.245 1.00 0.00 N ATOM 0 H LYS A 102 204.511 26.640 -6.076 1.00 0.00 H new ATOM 0 HA LYS A 102 206.270 27.116 -8.344 1.00 0.00 H new ATOM 0 HB2 LYS A 102 204.939 25.363 -9.395 1.00 0.00 H new ATOM 0 HB3 LYS A 102 205.456 24.852 -7.801 1.00 0.00 H new ATOM 0 HG2 LYS A 102 203.094 25.814 -7.060 1.00 0.00 H new ATOM 0 HG3 LYS A 102 202.701 25.590 -8.753 1.00 0.00 H new ATOM 0 HD2 LYS A 102 202.656 23.321 -8.576 1.00 0.00 H new ATOM 0 HD3 LYS A 102 204.105 23.271 -7.591 1.00 0.00 H new ATOM 0 HE2 LYS A 102 201.311 23.982 -6.610 1.00 0.00 H new ATOM 0 HE3 LYS A 102 202.135 22.458 -6.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 203.048 23.334 -4.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 203.856 24.489 -5.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 202.320 24.836 -4.851 1.00 0.00 H new ATOM 1647 N ASP A 103 203.169 28.222 -8.202 1.00 0.00 N ATOM 1648 CA ASP A 103 202.223 29.154 -8.805 1.00 0.00 C ATOM 1649 C ASP A 103 201.935 28.783 -10.258 1.00 0.00 C ATOM 1650 O ASP A 103 202.493 29.375 -11.182 1.00 0.00 O ATOM 1651 CB ASP A 103 202.761 30.584 -8.722 1.00 0.00 C ATOM 1652 CG ASP A 103 201.810 31.600 -9.324 1.00 0.00 C ATOM 1653 OD1 ASP A 103 200.583 31.438 -9.152 1.00 0.00 O ATOM 1654 OD2 ASP A 103 202.292 32.557 -9.968 1.00 0.00 O ATOM 0 H ASP A 103 202.842 27.792 -7.336 1.00 0.00 H new ATOM 0 HA ASP A 103 201.288 29.093 -8.248 1.00 0.00 H new ATOM 0 HB2 ASP A 103 202.946 30.839 -7.678 1.00 0.00 H new ATOM 0 HB3 ASP A 103 203.719 30.638 -9.238 1.00 0.00 H new ATOM 1659 N ALA A 104 201.062 27.801 -10.450 1.00 0.00 N ATOM 1660 CA ALA A 104 200.698 27.350 -11.788 1.00 0.00 C ATOM 1661 C ALA A 104 199.530 28.160 -12.340 1.00 0.00 C ATOM 1662 O ALA A 104 198.383 27.715 -12.308 1.00 0.00 O ATOM 1663 CB ALA A 104 200.356 25.869 -11.771 1.00 0.00 C ATOM 0 H ALA A 104 200.592 27.301 -9.695 1.00 0.00 H new ATOM 0 HA ALA A 104 201.555 27.505 -12.443 1.00 0.00 H new ATOM 0 HB1 ALA A 104 200.086 25.546 -12.777 1.00 0.00 H new ATOM 0 HB2 ALA A 104 201.220 25.300 -11.427 1.00 0.00 H new ATOM 0 HB3 ALA A 104 199.516 25.697 -11.097 1.00 0.00 H new ATOM 1669 N ASN A 105 199.830 29.351 -12.846 1.00 0.00 N ATOM 1670 CA ASN A 105 198.804 30.225 -13.406 1.00 0.00 C ATOM 1671 C ASN A 105 198.788 30.135 -14.928 1.00 0.00 C ATOM 1672 O ASN A 105 198.884 31.145 -15.624 1.00 0.00 O ATOM 1673 CB ASN A 105 199.045 31.671 -12.968 1.00 0.00 C ATOM 1674 CG ASN A 105 197.776 32.503 -12.998 1.00 0.00 C ATOM 1675 OD1 ASN A 105 197.124 32.697 -11.972 1.00 0.00 O ATOM 1676 ND2 ASN A 105 197.418 32.996 -14.178 1.00 0.00 N ATOM 0 H ASN A 105 200.775 29.734 -12.880 1.00 0.00 H new ATOM 0 HA ASN A 105 197.834 29.897 -13.032 1.00 0.00 H new ATOM 0 HB2 ASN A 105 199.457 31.678 -11.959 1.00 0.00 H new ATOM 0 HB3 ASN A 105 199.790 32.126 -13.620 1.00 0.00 H new ATOM 0 HD21 ASN A 105 196.572 33.561 -14.260 1.00 0.00 H new ATOM 0 HD22 ASN A 105 197.989 32.810 -15.003 1.00 0.00 H new ATOM 1683 N PHE A 106 198.668 28.914 -15.439 1.00 0.00 N ATOM 1684 CA PHE A 106 198.641 28.686 -16.879 1.00 0.00 C ATOM 1685 C PHE A 106 197.207 28.665 -17.403 1.00 0.00 C ATOM 1686 O PHE A 106 196.823 27.772 -18.157 1.00 0.00 O ATOM 1687 CB PHE A 106 199.347 27.372 -17.226 1.00 0.00 C ATOM 1688 CG PHE A 106 198.785 26.176 -16.511 1.00 0.00 C ATOM 1689 CD1 PHE A 106 199.230 25.836 -15.243 1.00 0.00 C ATOM 1690 CD2 PHE A 106 197.814 25.388 -17.108 1.00 0.00 C ATOM 1691 CE1 PHE A 106 198.716 24.735 -14.584 1.00 0.00 C ATOM 1692 CE2 PHE A 106 197.296 24.286 -16.455 1.00 0.00 C ATOM 1693 CZ PHE A 106 197.747 23.959 -15.191 1.00 0.00 C ATOM 0 H PHE A 106 198.588 28.067 -14.877 1.00 0.00 H new ATOM 0 HA PHE A 106 199.170 29.509 -17.360 1.00 0.00 H new ATOM 0 HB2 PHE A 106 199.279 27.206 -18.301 1.00 0.00 H new ATOM 0 HB3 PHE A 106 200.406 27.464 -16.984 1.00 0.00 H new ATOM 0 HD1 PHE A 106 199.988 26.439 -14.764 1.00 0.00 H new ATOM 0 HD2 PHE A 106 197.458 25.638 -18.096 1.00 0.00 H new ATOM 0 HE1 PHE A 106 199.071 24.482 -13.596 1.00 0.00 H new ATOM 0 HE2 PHE A 106 196.539 23.681 -16.932 1.00 0.00 H new ATOM 0 HZ PHE A 106 197.343 23.099 -14.678 1.00 0.00 H new ATOM 1703 N VAL A 107 196.420 29.656 -16.997 1.00 0.00 N ATOM 1704 CA VAL A 107 195.031 29.753 -17.426 1.00 0.00 C ATOM 1705 C VAL A 107 194.935 30.296 -18.849 1.00 0.00 C ATOM 1706 O VAL A 107 195.212 31.471 -19.095 1.00 0.00 O ATOM 1707 CB VAL A 107 194.212 30.655 -16.480 1.00 0.00 C ATOM 1708 CG1 VAL A 107 194.775 32.070 -16.463 1.00 0.00 C ATOM 1709 CG2 VAL A 107 192.742 30.658 -16.879 1.00 0.00 C ATOM 0 H VAL A 107 196.721 30.403 -16.371 1.00 0.00 H new ATOM 0 HA VAL A 107 194.617 28.745 -17.398 1.00 0.00 H new ATOM 0 HB VAL A 107 194.287 30.250 -15.471 1.00 0.00 H new ATOM 0 HG11 VAL A 107 194.182 32.689 -15.790 1.00 0.00 H new ATOM 0 HG12 VAL A 107 195.809 32.046 -16.119 1.00 0.00 H new ATOM 0 HG13 VAL A 107 194.737 32.489 -17.469 1.00 0.00 H new ATOM 0 HG21 VAL A 107 192.182 31.300 -16.199 1.00 0.00 H new ATOM 0 HG22 VAL A 107 192.642 31.033 -17.898 1.00 0.00 H new ATOM 0 HG23 VAL A 107 192.349 29.643 -16.826 1.00 0.00 H new ATOM 1719 N GLU A 108 194.542 29.435 -19.782 1.00 0.00 N ATOM 1720 CA GLU A 108 194.410 29.830 -21.180 1.00 0.00 C ATOM 1721 C GLU A 108 193.072 29.373 -21.746 1.00 0.00 C ATOM 1722 O GLU A 108 192.669 28.224 -21.569 1.00 0.00 O ATOM 1723 CB GLU A 108 195.553 29.246 -22.019 1.00 0.00 C ATOM 1724 CG GLU A 108 196.852 29.057 -21.251 1.00 0.00 C ATOM 1725 CD GLU A 108 197.102 27.609 -20.879 1.00 0.00 C ATOM 1726 OE1 GLU A 108 196.118 26.875 -20.654 1.00 0.00 O ATOM 1727 OE2 GLU A 108 198.283 27.208 -20.812 1.00 0.00 O ATOM 0 H GLU A 108 194.309 28.460 -19.596 1.00 0.00 H new ATOM 0 HA GLU A 108 194.459 30.918 -21.225 1.00 0.00 H new ATOM 0 HB2 GLU A 108 195.238 28.284 -22.422 1.00 0.00 H new ATOM 0 HB3 GLU A 108 195.738 29.903 -22.869 1.00 0.00 H new ATOM 0 HG2 GLU A 108 197.683 29.422 -21.854 1.00 0.00 H new ATOM 0 HG3 GLU A 108 196.826 29.662 -20.345 1.00 0.00 H new ATOM 1734 N GLU A 109 192.389 30.282 -22.433 1.00 0.00 N ATOM 1735 CA GLU A 109 191.096 29.976 -23.032 1.00 0.00 C ATOM 1736 C GLU A 109 191.271 29.061 -24.251 1.00 0.00 C ATOM 1737 O GLU A 109 191.910 28.013 -24.152 1.00 0.00 O ATOM 1738 CB GLU A 109 190.378 31.274 -23.413 1.00 0.00 C ATOM 1739 CG GLU A 109 190.299 32.283 -22.279 1.00 0.00 C ATOM 1740 CD GLU A 109 189.246 33.349 -22.516 1.00 0.00 C ATOM 1741 OE1 GLU A 109 188.777 33.475 -23.666 1.00 0.00 O ATOM 1742 OE2 GLU A 109 188.891 34.056 -21.551 1.00 0.00 O ATOM 0 H GLU A 109 192.710 31.238 -22.589 1.00 0.00 H new ATOM 0 HA GLU A 109 190.483 29.445 -22.304 1.00 0.00 H new ATOM 0 HB2 GLU A 109 190.894 31.730 -24.258 1.00 0.00 H new ATOM 0 HB3 GLU A 109 189.368 31.036 -23.747 1.00 0.00 H new ATOM 0 HG2 GLU A 109 190.078 31.761 -21.348 1.00 0.00 H new ATOM 0 HG3 GLU A 109 191.271 32.760 -22.154 1.00 0.00 H new ATOM 1749 N VAL A 110 190.713 29.452 -25.398 1.00 0.00 N ATOM 1750 CA VAL A 110 190.828 28.651 -26.610 1.00 0.00 C ATOM 1751 C VAL A 110 191.978 29.142 -27.486 1.00 0.00 C ATOM 1752 O VAL A 110 191.964 28.966 -28.704 1.00 0.00 O ATOM 1753 CB VAL A 110 189.518 28.676 -27.425 1.00 0.00 C ATOM 1754 CG1 VAL A 110 189.227 30.078 -27.943 1.00 0.00 C ATOM 1755 CG2 VAL A 110 189.581 27.676 -28.570 1.00 0.00 C ATOM 0 H VAL A 110 190.180 30.315 -25.509 1.00 0.00 H new ATOM 0 HA VAL A 110 191.030 27.626 -26.298 1.00 0.00 H new ATOM 0 HB VAL A 110 188.700 28.387 -26.765 1.00 0.00 H new ATOM 0 HG11 VAL A 110 188.299 30.069 -28.514 1.00 0.00 H new ATOM 0 HG12 VAL A 110 189.129 30.764 -27.101 1.00 0.00 H new ATOM 0 HG13 VAL A 110 190.045 30.406 -28.585 1.00 0.00 H new ATOM 0 HG21 VAL A 110 188.648 27.708 -29.133 1.00 0.00 H new ATOM 0 HG22 VAL A 110 190.412 27.929 -29.229 1.00 0.00 H new ATOM 0 HG23 VAL A 110 189.728 26.673 -28.169 1.00 0.00 H new ATOM 1765 N GLU A 111 192.976 29.757 -26.859 1.00 0.00 N ATOM 1766 CA GLU A 111 194.133 30.271 -27.582 1.00 0.00 C ATOM 1767 C GLU A 111 195.146 29.162 -27.844 1.00 0.00 C ATOM 1768 O GLU A 111 196.028 28.906 -27.024 1.00 0.00 O ATOM 1769 CB GLU A 111 194.794 31.401 -26.791 1.00 0.00 C ATOM 1770 CG GLU A 111 194.237 32.779 -27.118 1.00 0.00 C ATOM 1771 CD GLU A 111 193.091 33.174 -26.209 1.00 0.00 C ATOM 1772 OE1 GLU A 111 193.355 33.782 -25.150 1.00 0.00 O ATOM 1773 OE2 GLU A 111 191.928 32.879 -26.556 1.00 0.00 O ATOM 0 H GLU A 111 193.006 29.911 -25.851 1.00 0.00 H new ATOM 0 HA GLU A 111 193.788 30.660 -28.540 1.00 0.00 H new ATOM 0 HB2 GLU A 111 194.667 31.210 -25.725 1.00 0.00 H new ATOM 0 HB3 GLU A 111 195.866 31.395 -26.990 1.00 0.00 H new ATOM 0 HG2 GLU A 111 195.034 33.518 -27.035 1.00 0.00 H new ATOM 0 HG3 GLU A 111 193.896 32.793 -28.153 1.00 0.00 H new ATOM 1780 N GLU A 112 195.013 28.504 -28.991 1.00 0.00 N ATOM 1781 CA GLU A 112 195.915 27.420 -29.360 1.00 0.00 C ATOM 1782 C GLU A 112 197.325 27.948 -29.610 1.00 0.00 C ATOM 1783 O GLU A 112 197.759 28.070 -30.755 1.00 0.00 O ATOM 1784 CB GLU A 112 195.398 26.700 -30.607 1.00 0.00 C ATOM 1785 CG GLU A 112 195.033 27.638 -31.745 1.00 0.00 C ATOM 1786 CD GLU A 112 194.833 26.910 -33.060 1.00 0.00 C ATOM 1787 OE1 GLU A 112 194.602 25.683 -33.030 1.00 0.00 O ATOM 1788 OE2 GLU A 112 194.907 27.567 -34.120 1.00 0.00 O ATOM 0 H GLU A 112 194.289 28.703 -29.681 1.00 0.00 H new ATOM 0 HA GLU A 112 195.953 26.713 -28.531 1.00 0.00 H new ATOM 0 HB2 GLU A 112 196.159 26.001 -30.954 1.00 0.00 H new ATOM 0 HB3 GLU A 112 194.522 26.110 -30.338 1.00 0.00 H new ATOM 0 HG2 GLU A 112 194.120 28.175 -31.489 1.00 0.00 H new ATOM 0 HG3 GLU A 112 195.819 28.384 -31.863 1.00 0.00 H new ATOM 1795 N GLU A 113 198.034 28.259 -28.530 1.00 0.00 N ATOM 1796 CA GLU A 113 199.395 28.774 -28.632 1.00 0.00 C ATOM 1797 C GLU A 113 200.413 27.642 -28.538 1.00 0.00 C ATOM 1798 O GLU A 113 201.561 27.841 -28.987 1.00 0.00 O ATOM 1799 CB GLU A 113 199.656 29.803 -27.530 1.00 0.00 C ATOM 1800 CG GLU A 113 199.278 31.221 -27.920 1.00 0.00 C ATOM 1801 CD GLU A 113 200.482 32.068 -28.280 1.00 0.00 C ATOM 1802 OE1 GLU A 113 201.575 31.812 -27.733 1.00 0.00 O ATOM 1803 OE2 GLU A 113 200.333 32.991 -29.110 1.00 0.00 O ATOM 1804 OXT GLU A 113 200.053 26.566 -28.017 1.00 0.00 O ATOM 0 H GLU A 113 197.689 28.164 -27.575 1.00 0.00 H new ATOM 0 HA GLU A 113 199.503 29.256 -29.604 1.00 0.00 H new ATOM 0 HB2 GLU A 113 199.096 29.519 -26.639 1.00 0.00 H new ATOM 0 HB3 GLU A 113 200.713 29.778 -27.264 1.00 0.00 H new ATOM 0 HG2 GLU A 113 198.594 31.190 -28.768 1.00 0.00 H new ATOM 0 HG3 GLU A 113 198.742 31.690 -27.095 1.00 0.00 H new TER 1811 GLU A 113