USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=25 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 64 SER OG : rot 180:sc= -0.868 USER MOD Set 1.2: A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 4 ASN :FLIP amide:sc= -1.47 X(o=-3.9,f=-3.5) USER MOD Set 2.2: A 36 ASN : amide:sc= -1.68 K(o=-3.5,f=-7.3!) USER MOD Set 2.3: A 38 HIS :FLIP no HD1:sc= -0.293 F(o=-4.2,f=-3.5) USER MOD Single : A 1 MET CE :methyl -154:sc= -0.342 (180deg=-1.66) USER MOD Single : A 1 MET N :NH3+ -162:sc= 1.24 (180deg=0.955) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0845 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -26:sc= 0.73 USER MOD Single : A 7 SER OG : rot -93:sc= 0.622 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN :FLIP amide:sc= -0.427 F(o=-1.6,f=-0.43) USER MOD Single : A 10 MET CE :methyl 154:sc= -0.974 (180deg=-1.76) USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 18 GLN : amide:sc= -0.0824 K(o=-0.082,f=-3.4!) USER MOD Single : A 19 HIS : no HD1:sc= -2.96 K(o=-3,f=-4.2!) USER MOD Single : A 26 LYS NZ :NH3+ 143:sc= -0.579 (180deg=-0.895) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.304 X(o=-0.3,f=-0.31) USER MOD Single : A 32 THR OG1 : rot 35:sc= 0.224 USER MOD Single : A 33 HIS : no HD1:sc= -2.1! C(o=-2.1!,f=-1.9!) USER MOD Single : A 42 SER OG : rot 140:sc= -0.613 USER MOD Single : A 43 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.157) USER MOD Single : A 46 GLN : amide:sc= -0.161 X(o=-0.16,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.662 USER MOD Single : A 55 ASN : amide:sc= -0.798 X(o=-0.8,f=-1) USER MOD Single : A 56 THR OG1 : rot -170:sc= -3.19! USER MOD Single : A 58 ASN : amide:sc= -1.28 K(o=-1.3,f=-7.8!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HE2:sc= 0.212 K(o=0.21,f=-0.82) USER MOD Single : A 70 MET CE :methyl -136:sc= -11.6! (180deg=-20.8!) USER MOD Single : A 71 TYR OH : rot -5:sc= 0.136 USER MOD Single : A 72 THR OG1 : rot -170:sc= -0.309 USER MOD Single : A 75 ASN :FLIP amide:sc= -3.85! F(o=-4.5,f=-3.8!) USER MOD Single : A 79 ASN : amide:sc= -5.74! C(o=-5.7!,f=-9.8!) USER MOD Single : A 84 GLN : amide:sc= -0.371 X(o=-0.37,f=0) USER MOD Single : A 86 ASN : amide:sc= -1.52 K(o=-1.5,f=-3!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= 0.484 K(o=0.48,f=-2.2!) USER MOD Single : A 90 HIS : no HD1:sc= -1.4 K(o=-1.4,f=-2.4!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc=-0.00611 USER MOD Single : A 102 LYS NZ :NH3+ -167:sc=-0.00528 (180deg=-0.109) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 186.760 -1.217 -7.414 1.00 0.00 N ATOM 2 CA MET A 1 185.297 -1.356 -7.192 1.00 0.00 C ATOM 3 C MET A 1 184.736 -2.555 -7.951 1.00 0.00 C ATOM 4 O MET A 1 184.243 -2.419 -9.070 1.00 0.00 O ATOM 5 CB MET A 1 184.611 -0.068 -7.654 1.00 0.00 C ATOM 6 CG MET A 1 184.067 0.774 -6.510 1.00 0.00 C ATOM 7 SD MET A 1 183.630 2.445 -7.025 1.00 0.00 S ATOM 8 CE MET A 1 185.219 3.053 -7.586 1.00 0.00 C ATOM 0 H1 MET A 1 187.167 -0.610 -6.674 1.00 0.00 H new ATOM 0 H2 MET A 1 187.207 -2.155 -7.377 1.00 0.00 H new ATOM 0 H3 MET A 1 186.931 -0.789 -8.346 1.00 0.00 H new ATOM 0 HA MET A 1 185.109 -1.523 -6.131 1.00 0.00 H new ATOM 0 HB2 MET A 1 185.322 0.528 -8.227 1.00 0.00 H new ATOM 0 HB3 MET A 1 183.793 -0.323 -8.328 1.00 0.00 H new ATOM 0 HG2 MET A 1 183.187 0.285 -6.091 1.00 0.00 H new ATOM 0 HG3 MET A 1 184.812 0.826 -5.716 1.00 0.00 H new ATOM 0 HE1 MET A 1 185.245 4.139 -7.498 1.00 0.00 H new ATOM 0 HE2 MET A 1 186.011 2.620 -6.974 1.00 0.00 H new ATOM 0 HE3 MET A 1 185.370 2.770 -8.628 1.00 0.00 H new ATOM 20 N THR A 2 184.815 -3.728 -7.333 1.00 0.00 N ATOM 21 CA THR A 2 184.316 -4.953 -7.951 1.00 0.00 C ATOM 22 C THR A 2 182.797 -5.069 -7.806 1.00 0.00 C ATOM 23 O THR A 2 182.190 -6.008 -8.323 1.00 0.00 O ATOM 24 CB THR A 2 184.997 -6.178 -7.332 1.00 0.00 C ATOM 25 OG1 THR A 2 185.958 -5.788 -6.367 1.00 0.00 O ATOM 26 CG2 THR A 2 185.701 -7.047 -8.352 1.00 0.00 C ATOM 0 H THR A 2 185.219 -3.858 -6.406 1.00 0.00 H new ATOM 0 HA THR A 2 184.554 -4.911 -9.014 1.00 0.00 H new ATOM 0 HB THR A 2 184.192 -6.754 -6.875 1.00 0.00 H new ATOM 0 HG1 THR A 2 186.379 -6.586 -5.984 1.00 0.00 H new ATOM 0 HG21 THR A 2 186.162 -7.897 -7.849 1.00 0.00 H new ATOM 0 HG22 THR A 2 184.978 -7.407 -9.084 1.00 0.00 H new ATOM 0 HG23 THR A 2 186.470 -6.464 -8.858 1.00 0.00 H new ATOM 34 N MET A 3 182.187 -4.115 -7.106 1.00 0.00 N ATOM 35 CA MET A 3 180.742 -4.123 -6.904 1.00 0.00 C ATOM 36 C MET A 3 180.307 -5.370 -6.142 1.00 0.00 C ATOM 37 O MET A 3 179.833 -6.339 -6.738 1.00 0.00 O ATOM 38 CB MET A 3 180.017 -4.054 -8.250 1.00 0.00 C ATOM 39 CG MET A 3 178.659 -3.377 -8.176 1.00 0.00 C ATOM 40 SD MET A 3 178.683 -1.695 -8.828 1.00 0.00 S ATOM 41 CE MET A 3 177.824 -0.817 -7.525 1.00 0.00 C ATOM 0 H MET A 3 182.670 -3.329 -6.671 1.00 0.00 H new ATOM 0 HA MET A 3 180.478 -3.247 -6.312 1.00 0.00 H new ATOM 0 HB2 MET A 3 180.643 -3.517 -8.963 1.00 0.00 H new ATOM 0 HB3 MET A 3 179.889 -5.065 -8.636 1.00 0.00 H new ATOM 0 HG2 MET A 3 177.932 -3.968 -8.733 1.00 0.00 H new ATOM 0 HG3 MET A 3 178.324 -3.356 -7.139 1.00 0.00 H new ATOM 0 HE1 MET A 3 177.758 0.240 -7.781 1.00 0.00 H new ATOM 0 HE2 MET A 3 176.820 -1.226 -7.411 1.00 0.00 H new ATOM 0 HE3 MET A 3 178.371 -0.930 -6.589 1.00 0.00 H new ATOM 51 N ASN A 4 180.472 -5.343 -4.825 1.00 0.00 N ATOM 52 CA ASN A 4 180.100 -6.474 -3.985 1.00 0.00 C ATOM 53 C ASN A 4 178.790 -6.207 -3.248 1.00 0.00 C ATOM 54 O ASN A 4 178.666 -5.225 -2.516 1.00 0.00 O ATOM 55 CB ASN A 4 181.211 -6.773 -2.978 1.00 0.00 C ATOM 56 CG ASN A 4 182.390 -7.482 -3.615 1.00 0.00 C ATOM 57 OD1 ASN A 4 183.121 -6.768 -4.464 1.00 0.00 O flip ATOM 58 ND2 ASN A 4 182.644 -8.655 -3.347 1.00 0.00 N flip ATOM 0 H ASN A 4 180.861 -4.550 -4.316 1.00 0.00 H new ATOM 0 HA ASN A 4 179.958 -7.340 -4.632 1.00 0.00 H new ATOM 0 HB2 ASN A 4 181.551 -5.840 -2.528 1.00 0.00 H new ATOM 0 HB3 ASN A 4 180.812 -7.389 -2.172 1.00 0.00 H new ATOM 0 HD21 ASN A 4 182.056 -9.167 -2.689 1.00 0.00 H new ATOM 0 HD22 ASN A 4 183.443 -9.116 -3.783 1.00 0.00 H new ATOM 65 N ILE A 5 177.817 -7.090 -3.447 1.00 0.00 N ATOM 66 CA ILE A 5 176.517 -6.957 -2.801 1.00 0.00 C ATOM 67 C ILE A 5 176.036 -8.305 -2.271 1.00 0.00 C ATOM 68 O ILE A 5 176.331 -9.349 -2.852 1.00 0.00 O ATOM 69 CB ILE A 5 175.461 -6.389 -3.770 1.00 0.00 C ATOM 70 CG1 ILE A 5 175.981 -5.112 -4.435 1.00 0.00 C ATOM 71 CG2 ILE A 5 174.158 -6.118 -3.034 1.00 0.00 C ATOM 72 CD1 ILE A 5 176.339 -5.295 -5.894 1.00 0.00 C ATOM 0 H ILE A 5 177.905 -7.907 -4.052 1.00 0.00 H new ATOM 0 HA ILE A 5 176.641 -6.262 -1.970 1.00 0.00 H new ATOM 0 HB ILE A 5 175.268 -7.128 -4.548 1.00 0.00 H new ATOM 0 HG12 ILE A 5 175.224 -4.333 -4.350 1.00 0.00 H new ATOM 0 HG13 ILE A 5 176.860 -4.762 -3.894 1.00 0.00 H new ATOM 0 HG21 ILE A 5 173.423 -5.717 -3.732 1.00 0.00 H new ATOM 0 HG22 ILE A 5 173.783 -7.047 -2.605 1.00 0.00 H new ATOM 0 HG23 ILE A 5 174.334 -5.395 -2.237 1.00 0.00 H new ATOM 0 HD11 ILE A 5 176.700 -4.351 -6.301 1.00 0.00 H new ATOM 0 HD12 ILE A 5 177.119 -6.051 -5.985 1.00 0.00 H new ATOM 0 HD13 ILE A 5 175.456 -5.615 -6.448 1.00 0.00 H new ATOM 84 N THR A 6 175.299 -8.277 -1.165 1.00 0.00 N ATOM 85 CA THR A 6 174.789 -9.504 -0.566 1.00 0.00 C ATOM 86 C THR A 6 173.655 -9.215 0.415 1.00 0.00 C ATOM 87 O THR A 6 173.870 -9.151 1.626 1.00 0.00 O ATOM 88 CB THR A 6 175.919 -10.247 0.148 1.00 0.00 C ATOM 89 OG1 THR A 6 176.976 -10.535 -0.750 1.00 0.00 O ATOM 90 CG2 THR A 6 175.479 -11.553 0.771 1.00 0.00 C ATOM 0 H THR A 6 175.043 -7.424 -0.668 1.00 0.00 H new ATOM 0 HA THR A 6 174.392 -10.129 -1.366 1.00 0.00 H new ATOM 0 HB THR A 6 176.246 -9.577 0.943 1.00 0.00 H new ATOM 0 HG1 THR A 6 176.623 -10.594 -1.662 1.00 0.00 H new ATOM 0 HG21 THR A 6 176.330 -12.027 1.260 1.00 0.00 H new ATOM 0 HG22 THR A 6 174.698 -11.360 1.507 1.00 0.00 H new ATOM 0 HG23 THR A 6 175.092 -12.214 -0.005 1.00 0.00 H new ATOM 98 N SER A 7 172.446 -9.052 -0.114 1.00 0.00 N ATOM 99 CA SER A 7 171.275 -8.784 0.716 1.00 0.00 C ATOM 100 C SER A 7 170.575 -10.088 1.089 1.00 0.00 C ATOM 101 O SER A 7 170.699 -11.089 0.385 1.00 0.00 O ATOM 102 CB SER A 7 170.302 -7.858 -0.018 1.00 0.00 C ATOM 103 OG SER A 7 170.852 -6.560 -0.168 1.00 0.00 O ATOM 0 H SER A 7 172.251 -9.101 -1.114 1.00 0.00 H new ATOM 0 HA SER A 7 171.607 -8.292 1.630 1.00 0.00 H new ATOM 0 HB2 SER A 7 170.068 -8.273 -0.998 1.00 0.00 H new ATOM 0 HB3 SER A 7 169.364 -7.798 0.535 1.00 0.00 H new ATOM 0 HG SER A 7 170.563 -5.994 0.578 1.00 0.00 H new ATOM 109 N LYS A 8 169.840 -10.073 2.196 1.00 0.00 N ATOM 110 CA LYS A 8 169.126 -11.260 2.651 1.00 0.00 C ATOM 111 C LYS A 8 167.967 -11.591 1.712 1.00 0.00 C ATOM 112 O LYS A 8 168.135 -12.336 0.746 1.00 0.00 O ATOM 113 CB LYS A 8 168.622 -11.066 4.083 1.00 0.00 C ATOM 114 CG LYS A 8 169.598 -11.549 5.144 1.00 0.00 C ATOM 115 CD LYS A 8 169.114 -12.824 5.814 1.00 0.00 C ATOM 116 CE LYS A 8 168.945 -13.956 4.810 1.00 0.00 C ATOM 117 NZ LYS A 8 169.711 -15.168 5.208 1.00 0.00 N ATOM 0 H LYS A 8 169.723 -9.254 2.793 1.00 0.00 H new ATOM 0 HA LYS A 8 169.820 -12.100 2.641 1.00 0.00 H new ATOM 0 HB2 LYS A 8 168.416 -10.008 4.246 1.00 0.00 H new ATOM 0 HB3 LYS A 8 167.678 -11.597 4.202 1.00 0.00 H new ATOM 0 HG2 LYS A 8 170.573 -11.724 4.689 1.00 0.00 H new ATOM 0 HG3 LYS A 8 169.733 -10.771 5.896 1.00 0.00 H new ATOM 0 HD2 LYS A 8 169.825 -13.123 6.584 1.00 0.00 H new ATOM 0 HD3 LYS A 8 168.164 -12.635 6.313 1.00 0.00 H new ATOM 0 HE2 LYS A 8 167.888 -14.207 4.720 1.00 0.00 H new ATOM 0 HE3 LYS A 8 169.278 -13.622 3.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 169.570 -15.916 4.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 170.723 -14.935 5.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 169.376 -15.502 6.134 1.00 0.00 H new ATOM 131 N GLN A 9 166.792 -11.029 1.991 1.00 0.00 N ATOM 132 CA GLN A 9 165.618 -11.267 1.158 1.00 0.00 C ATOM 133 C GLN A 9 165.193 -9.988 0.439 1.00 0.00 C ATOM 134 O GLN A 9 164.530 -10.037 -0.598 1.00 0.00 O ATOM 135 CB GLN A 9 164.460 -11.811 2.004 1.00 0.00 C ATOM 136 CG GLN A 9 163.844 -10.787 2.945 1.00 0.00 C ATOM 137 CD GLN A 9 164.636 -10.623 4.227 1.00 0.00 C ATOM 138 OE1 GLN A 9 165.296 -9.481 4.372 1.00 0.00 O flip ATOM 139 NE2 GLN A 9 164.652 -11.513 5.078 1.00 0.00 N flip ATOM 0 H GLN A 9 166.629 -10.409 2.784 1.00 0.00 H new ATOM 0 HA GLN A 9 165.881 -12.011 0.407 1.00 0.00 H new ATOM 0 HB2 GLN A 9 163.684 -12.190 1.338 1.00 0.00 H new ATOM 0 HB3 GLN A 9 164.818 -12.657 2.590 1.00 0.00 H new ATOM 0 HG2 GLN A 9 163.779 -9.825 2.437 1.00 0.00 H new ATOM 0 HG3 GLN A 9 162.825 -11.089 3.188 1.00 0.00 H new ATOM 0 HE21 GLN A 9 164.129 -12.375 4.924 1.00 0.00 H new ATOM 0 HE22 GLN A 9 165.188 -11.388 5.937 1.00 0.00 H new ATOM 148 N MET A 10 165.580 -8.842 0.995 1.00 0.00 N ATOM 149 CA MET A 10 165.242 -7.553 0.409 1.00 0.00 C ATOM 150 C MET A 10 166.032 -7.319 -0.876 1.00 0.00 C ATOM 151 O MET A 10 167.094 -6.695 -0.861 1.00 0.00 O ATOM 152 CB MET A 10 165.518 -6.429 1.416 1.00 0.00 C ATOM 153 CG MET A 10 165.440 -5.029 0.821 1.00 0.00 C ATOM 154 SD MET A 10 163.904 -4.735 -0.079 1.00 0.00 S ATOM 155 CE MET A 10 162.705 -5.413 1.066 1.00 0.00 C ATOM 0 H MET A 10 166.129 -8.783 1.853 1.00 0.00 H new ATOM 0 HA MET A 10 164.181 -7.554 0.161 1.00 0.00 H new ATOM 0 HB2 MET A 10 164.802 -6.505 2.234 1.00 0.00 H new ATOM 0 HB3 MET A 10 166.509 -6.575 1.845 1.00 0.00 H new ATOM 0 HG2 MET A 10 165.534 -4.294 1.620 1.00 0.00 H new ATOM 0 HG3 MET A 10 166.284 -4.878 0.148 1.00 0.00 H new ATOM 0 HE1 MET A 10 161.741 -4.927 0.913 1.00 0.00 H new ATOM 0 HE2 MET A 10 162.603 -6.484 0.894 1.00 0.00 H new ATOM 0 HE3 MET A 10 163.040 -5.240 2.089 1.00 0.00 H new ATOM 165 N GLU A 11 165.507 -7.824 -1.987 1.00 0.00 N ATOM 166 CA GLU A 11 166.157 -7.671 -3.284 1.00 0.00 C ATOM 167 C GLU A 11 166.417 -6.199 -3.591 1.00 0.00 C ATOM 168 O GLU A 11 165.509 -5.371 -3.522 1.00 0.00 O ATOM 169 CB GLU A 11 165.296 -8.289 -4.387 1.00 0.00 C ATOM 170 CG GLU A 11 163.949 -7.605 -4.561 1.00 0.00 C ATOM 171 CD GLU A 11 162.804 -8.590 -4.688 1.00 0.00 C ATOM 172 OE1 GLU A 11 162.245 -8.988 -3.644 1.00 0.00 O ATOM 173 OE2 GLU A 11 162.466 -8.964 -5.831 1.00 0.00 O ATOM 0 H GLU A 11 164.630 -8.345 -2.015 1.00 0.00 H new ATOM 0 HA GLU A 11 167.114 -8.191 -3.246 1.00 0.00 H new ATOM 0 HB2 GLU A 11 165.841 -8.245 -5.330 1.00 0.00 H new ATOM 0 HB3 GLU A 11 165.133 -9.343 -4.162 1.00 0.00 H new ATOM 0 HG2 GLU A 11 163.766 -6.950 -3.709 1.00 0.00 H new ATOM 0 HG3 GLU A 11 163.979 -6.973 -5.449 1.00 0.00 H new ATOM 180 N ILE A 12 167.661 -5.882 -3.929 1.00 0.00 N ATOM 181 CA ILE A 12 168.040 -4.510 -4.245 1.00 0.00 C ATOM 182 C ILE A 12 167.301 -4.009 -5.483 1.00 0.00 C ATOM 183 O ILE A 12 167.788 -4.141 -6.605 1.00 0.00 O ATOM 184 CB ILE A 12 169.558 -4.379 -4.479 1.00 0.00 C ATOM 185 CG1 ILE A 12 170.334 -5.166 -3.419 1.00 0.00 C ATOM 186 CG2 ILE A 12 169.971 -2.914 -4.465 1.00 0.00 C ATOM 187 CD1 ILE A 12 170.832 -6.509 -3.907 1.00 0.00 C ATOM 0 H ILE A 12 168.424 -6.556 -3.991 1.00 0.00 H new ATOM 0 HA ILE A 12 167.762 -3.901 -3.384 1.00 0.00 H new ATOM 0 HB ILE A 12 169.795 -4.796 -5.458 1.00 0.00 H new ATOM 0 HG12 ILE A 12 171.185 -4.571 -3.087 1.00 0.00 H new ATOM 0 HG13 ILE A 12 169.693 -5.319 -2.550 1.00 0.00 H new ATOM 0 HG21 ILE A 12 171.045 -2.837 -4.631 1.00 0.00 H new ATOM 0 HG22 ILE A 12 169.442 -2.379 -5.254 1.00 0.00 H new ATOM 0 HG23 ILE A 12 169.721 -2.475 -3.499 1.00 0.00 H new ATOM 0 HD11 ILE A 12 171.372 -7.010 -3.104 1.00 0.00 H new ATOM 0 HD12 ILE A 12 169.984 -7.122 -4.212 1.00 0.00 H new ATOM 0 HD13 ILE A 12 171.499 -6.363 -4.757 1.00 0.00 H new ATOM 199 N THR A 13 166.121 -3.435 -5.267 1.00 0.00 N ATOM 200 CA THR A 13 165.311 -2.913 -6.364 1.00 0.00 C ATOM 201 C THR A 13 166.055 -1.802 -7.101 1.00 0.00 C ATOM 202 O THR A 13 166.961 -1.178 -6.548 1.00 0.00 O ATOM 203 CB THR A 13 163.974 -2.387 -5.832 1.00 0.00 C ATOM 204 OG1 THR A 13 164.132 -1.099 -5.265 1.00 0.00 O ATOM 205 CG2 THR A 13 163.350 -3.279 -4.781 1.00 0.00 C ATOM 0 H THR A 13 165.704 -3.319 -4.343 1.00 0.00 H new ATOM 0 HA THR A 13 165.118 -3.725 -7.065 1.00 0.00 H new ATOM 0 HB THR A 13 163.312 -2.360 -6.698 1.00 0.00 H new ATOM 0 HG1 THR A 13 163.267 -0.780 -4.933 1.00 0.00 H new ATOM 0 HG21 THR A 13 162.406 -2.846 -4.449 1.00 0.00 H new ATOM 0 HG22 THR A 13 163.167 -4.267 -5.204 1.00 0.00 H new ATOM 0 HG23 THR A 13 164.027 -3.368 -3.931 1.00 0.00 H new ATOM 213 N PRO A 14 165.686 -1.538 -8.367 1.00 0.00 N ATOM 214 CA PRO A 14 166.323 -0.499 -9.181 1.00 0.00 C ATOM 215 C PRO A 14 166.446 0.830 -8.439 1.00 0.00 C ATOM 216 O PRO A 14 167.474 1.500 -8.518 1.00 0.00 O ATOM 217 CB PRO A 14 165.391 -0.353 -10.396 1.00 0.00 C ATOM 218 CG PRO A 14 164.180 -1.172 -10.085 1.00 0.00 C ATOM 219 CD PRO A 14 164.623 -2.223 -9.111 1.00 0.00 C ATOM 0 HA PRO A 14 167.344 -0.772 -9.448 1.00 0.00 H new ATOM 0 HB2 PRO A 14 165.125 0.691 -10.560 1.00 0.00 H new ATOM 0 HB3 PRO A 14 165.877 -0.705 -11.306 1.00 0.00 H new ATOM 0 HG2 PRO A 14 163.391 -0.553 -9.657 1.00 0.00 H new ATOM 0 HG3 PRO A 14 163.774 -1.626 -10.989 1.00 0.00 H new ATOM 0 HD2 PRO A 14 163.810 -2.540 -8.458 1.00 0.00 H new ATOM 0 HD3 PRO A 14 164.992 -3.115 -9.617 1.00 0.00 H new ATOM 227 N ALA A 15 165.394 1.202 -7.717 1.00 0.00 N ATOM 228 CA ALA A 15 165.394 2.449 -6.961 1.00 0.00 C ATOM 229 C ALA A 15 166.386 2.387 -5.805 1.00 0.00 C ATOM 230 O ALA A 15 167.121 3.343 -5.552 1.00 0.00 O ATOM 231 CB ALA A 15 163.995 2.752 -6.443 1.00 0.00 C ATOM 0 H ALA A 15 164.533 0.660 -7.640 1.00 0.00 H new ATOM 0 HA ALA A 15 165.703 3.252 -7.630 1.00 0.00 H new ATOM 0 HB1 ALA A 15 164.010 3.686 -5.880 1.00 0.00 H new ATOM 0 HB2 ALA A 15 163.308 2.846 -7.284 1.00 0.00 H new ATOM 0 HB3 ALA A 15 163.664 1.942 -5.793 1.00 0.00 H new ATOM 237 N ILE A 16 166.402 1.256 -5.108 1.00 0.00 N ATOM 238 CA ILE A 16 167.303 1.067 -3.978 1.00 0.00 C ATOM 239 C ILE A 16 168.749 0.939 -4.446 1.00 0.00 C ATOM 240 O ILE A 16 169.644 1.597 -3.915 1.00 0.00 O ATOM 241 CB ILE A 16 166.920 -0.182 -3.161 1.00 0.00 C ATOM 242 CG1 ILE A 16 165.446 -0.118 -2.758 1.00 0.00 C ATOM 243 CG2 ILE A 16 167.808 -0.308 -1.931 1.00 0.00 C ATOM 244 CD1 ILE A 16 164.903 -1.428 -2.233 1.00 0.00 C ATOM 0 H ILE A 16 165.801 0.456 -5.306 1.00 0.00 H new ATOM 0 HA ILE A 16 167.209 1.948 -3.343 1.00 0.00 H new ATOM 0 HB ILE A 16 167.071 -1.065 -3.782 1.00 0.00 H new ATOM 0 HG12 ILE A 16 165.320 0.650 -1.994 1.00 0.00 H new ATOM 0 HG13 ILE A 16 164.855 0.191 -3.621 1.00 0.00 H new ATOM 0 HG21 ILE A 16 167.523 -1.196 -1.366 1.00 0.00 H new ATOM 0 HG22 ILE A 16 168.849 -0.394 -2.241 1.00 0.00 H new ATOM 0 HG23 ILE A 16 167.688 0.575 -1.304 1.00 0.00 H new ATOM 0 HD11 ILE A 16 163.853 -1.306 -1.967 1.00 0.00 H new ATOM 0 HD12 ILE A 16 164.996 -2.195 -3.002 1.00 0.00 H new ATOM 0 HD13 ILE A 16 165.468 -1.729 -1.351 1.00 0.00 H new ATOM 256 N ARG A 17 168.974 0.089 -5.443 1.00 0.00 N ATOM 257 CA ARG A 17 170.314 -0.120 -5.977 1.00 0.00 C ATOM 258 C ARG A 17 170.876 1.181 -6.546 1.00 0.00 C ATOM 259 O ARG A 17 172.084 1.415 -6.512 1.00 0.00 O ATOM 260 CB ARG A 17 170.294 -1.226 -7.046 1.00 0.00 C ATOM 261 CG ARG A 17 170.292 -0.722 -8.483 1.00 0.00 C ATOM 262 CD ARG A 17 171.707 -0.505 -8.996 1.00 0.00 C ATOM 263 NE ARG A 17 171.742 0.388 -10.152 1.00 0.00 N ATOM 264 CZ ARG A 17 171.458 0.004 -11.395 1.00 0.00 C ATOM 265 NH1 ARG A 17 171.111 -1.252 -11.646 1.00 0.00 N ATOM 266 NH2 ARG A 17 171.521 0.880 -12.388 1.00 0.00 N ATOM 0 H ARG A 17 168.247 -0.465 -5.896 1.00 0.00 H new ATOM 0 HA ARG A 17 170.967 -0.440 -5.165 1.00 0.00 H new ATOM 0 HB2 ARG A 17 171.163 -1.868 -6.902 1.00 0.00 H new ATOM 0 HB3 ARG A 17 169.411 -1.846 -6.891 1.00 0.00 H new ATOM 0 HG2 ARG A 17 169.778 -1.440 -9.122 1.00 0.00 H new ATOM 0 HG3 ARG A 17 169.735 0.213 -8.542 1.00 0.00 H new ATOM 0 HD2 ARG A 17 172.321 -0.088 -8.198 1.00 0.00 H new ATOM 0 HD3 ARG A 17 172.145 -1.466 -9.267 1.00 0.00 H new ATOM 0 HE ARG A 17 171.999 1.363 -9.998 1.00 0.00 H new ATOM 0 HH11 ARG A 17 171.061 -1.929 -10.885 1.00 0.00 H new ATOM 0 HH12 ARG A 17 170.895 -1.540 -12.600 1.00 0.00 H new ATOM 0 HH21 ARG A 17 171.787 1.847 -12.199 1.00 0.00 H new ATOM 0 HH22 ARG A 17 171.304 0.587 -13.341 1.00 0.00 H new ATOM 280 N GLN A 18 169.989 2.023 -7.067 1.00 0.00 N ATOM 281 CA GLN A 18 170.394 3.300 -7.641 1.00 0.00 C ATOM 282 C GLN A 18 170.914 4.238 -6.560 1.00 0.00 C ATOM 283 O GLN A 18 171.946 4.888 -6.731 1.00 0.00 O ATOM 284 CB GLN A 18 169.217 3.949 -8.374 1.00 0.00 C ATOM 285 CG GLN A 18 169.171 3.625 -9.859 1.00 0.00 C ATOM 286 CD GLN A 18 170.344 4.209 -10.621 1.00 0.00 C ATOM 287 OE1 GLN A 18 171.349 3.536 -10.846 1.00 0.00 O ATOM 288 NE2 GLN A 18 170.221 5.469 -11.022 1.00 0.00 N ATOM 0 H GLN A 18 168.986 1.843 -7.103 1.00 0.00 H new ATOM 0 HA GLN A 18 171.198 3.113 -8.353 1.00 0.00 H new ATOM 0 HB2 GLN A 18 168.286 3.622 -7.910 1.00 0.00 H new ATOM 0 HB3 GLN A 18 169.273 5.030 -8.248 1.00 0.00 H new ATOM 0 HG2 GLN A 18 169.160 2.543 -9.991 1.00 0.00 H new ATOM 0 HG3 GLN A 18 168.242 4.007 -10.282 1.00 0.00 H new ATOM 0 HE21 GLN A 18 169.369 5.990 -10.813 1.00 0.00 H new ATOM 0 HE22 GLN A 18 170.978 5.916 -11.539 1.00 0.00 H new ATOM 297 N HIS A 19 170.196 4.304 -5.442 1.00 0.00 N ATOM 298 CA HIS A 19 170.588 5.161 -4.331 1.00 0.00 C ATOM 299 C HIS A 19 171.982 4.796 -3.830 1.00 0.00 C ATOM 300 O HIS A 19 172.910 5.599 -3.908 1.00 0.00 O ATOM 301 CB HIS A 19 169.575 5.051 -3.189 1.00 0.00 C ATOM 302 CG HIS A 19 169.219 6.371 -2.576 1.00 0.00 C ATOM 303 ND1 HIS A 19 168.479 7.332 -3.233 1.00 0.00 N ATOM 304 CD2 HIS A 19 169.506 6.887 -1.357 1.00 0.00 C ATOM 305 CE1 HIS A 19 168.328 8.383 -2.446 1.00 0.00 C ATOM 306 NE2 HIS A 19 168.940 8.137 -1.302 1.00 0.00 N ATOM 0 H HIS A 19 169.340 3.773 -5.283 1.00 0.00 H new ATOM 0 HA HIS A 19 170.608 6.191 -4.688 1.00 0.00 H new ATOM 0 HB2 HIS A 19 168.668 4.577 -3.563 1.00 0.00 H new ATOM 0 HB3 HIS A 19 169.980 4.398 -2.416 1.00 0.00 H new ATOM 0 HD2 HIS A 19 170.074 6.405 -0.575 1.00 0.00 H new ATOM 0 HE1 HIS A 19 167.795 9.288 -2.696 1.00 0.00 H new ATOM 0 HE2 HIS A 19 168.985 8.773 -0.506 1.00 0.00 H new ATOM 315 N VAL A 20 172.122 3.574 -3.321 1.00 0.00 N ATOM 316 CA VAL A 20 173.405 3.098 -2.812 1.00 0.00 C ATOM 317 C VAL A 20 174.520 3.336 -3.825 1.00 0.00 C ATOM 318 O VAL A 20 175.662 3.609 -3.455 1.00 0.00 O ATOM 319 CB VAL A 20 173.352 1.597 -2.468 1.00 0.00 C ATOM 320 CG1 VAL A 20 174.620 1.167 -1.747 1.00 0.00 C ATOM 321 CG2 VAL A 20 172.120 1.283 -1.634 1.00 0.00 C ATOM 0 H VAL A 20 171.363 2.896 -3.250 1.00 0.00 H new ATOM 0 HA VAL A 20 173.614 3.664 -1.904 1.00 0.00 H new ATOM 0 HB VAL A 20 173.285 1.033 -3.398 1.00 0.00 H new ATOM 0 HG11 VAL A 20 174.563 0.104 -1.513 1.00 0.00 H new ATOM 0 HG12 VAL A 20 175.483 1.352 -2.387 1.00 0.00 H new ATOM 0 HG13 VAL A 20 174.725 1.737 -0.824 1.00 0.00 H new ATOM 0 HG21 VAL A 20 172.100 0.218 -1.401 1.00 0.00 H new ATOM 0 HG22 VAL A 20 172.152 1.857 -0.708 1.00 0.00 H new ATOM 0 HG23 VAL A 20 171.224 1.549 -2.195 1.00 0.00 H new ATOM 331 N ALA A 21 174.179 3.235 -5.105 1.00 0.00 N ATOM 332 CA ALA A 21 175.148 3.445 -6.172 1.00 0.00 C ATOM 333 C ALA A 21 175.616 4.897 -6.199 1.00 0.00 C ATOM 334 O ALA A 21 176.780 5.181 -6.481 1.00 0.00 O ATOM 335 CB ALA A 21 174.550 3.055 -7.515 1.00 0.00 C ATOM 0 H ALA A 21 173.238 3.009 -5.428 1.00 0.00 H new ATOM 0 HA ALA A 21 176.013 2.811 -5.978 1.00 0.00 H new ATOM 0 HB1 ALA A 21 175.286 3.218 -8.302 1.00 0.00 H new ATOM 0 HB2 ALA A 21 174.266 2.003 -7.495 1.00 0.00 H new ATOM 0 HB3 ALA A 21 173.668 3.665 -7.711 1.00 0.00 H new ATOM 341 N ASP A 22 174.696 5.810 -5.900 1.00 0.00 N ATOM 342 CA ASP A 22 175.011 7.234 -5.885 1.00 0.00 C ATOM 343 C ASP A 22 175.999 7.558 -4.771 1.00 0.00 C ATOM 344 O ASP A 22 177.094 8.058 -5.025 1.00 0.00 O ATOM 345 CB ASP A 22 173.733 8.056 -5.707 1.00 0.00 C ATOM 346 CG ASP A 22 173.096 8.429 -7.032 1.00 0.00 C ATOM 347 OD1 ASP A 22 172.423 7.564 -7.630 1.00 0.00 O ATOM 348 OD2 ASP A 22 173.270 9.585 -7.471 1.00 0.00 O ATOM 0 H ASP A 22 173.728 5.589 -5.665 1.00 0.00 H new ATOM 0 HA ASP A 22 175.470 7.492 -6.839 1.00 0.00 H new ATOM 0 HB2 ASP A 22 173.019 7.488 -5.111 1.00 0.00 H new ATOM 0 HB3 ASP A 22 173.963 8.964 -5.149 1.00 0.00 H new ATOM 353 N ARG A 23 175.604 7.269 -3.532 1.00 0.00 N ATOM 354 CA ARG A 23 176.460 7.532 -2.373 1.00 0.00 C ATOM 355 C ARG A 23 177.881 7.026 -2.619 1.00 0.00 C ATOM 356 O ARG A 23 178.847 7.779 -2.492 1.00 0.00 O ATOM 357 CB ARG A 23 175.900 6.893 -1.086 1.00 0.00 C ATOM 358 CG ARG A 23 174.776 5.886 -1.300 1.00 0.00 C ATOM 359 CD ARG A 23 173.401 6.545 -1.268 1.00 0.00 C ATOM 360 NE ARG A 23 173.292 7.565 -0.225 1.00 0.00 N ATOM 361 CZ ARG A 23 173.369 8.878 -0.452 1.00 0.00 C ATOM 362 NH1 ARG A 23 173.593 9.340 -1.676 1.00 0.00 N ATOM 363 NH2 ARG A 23 173.231 9.731 0.554 1.00 0.00 N ATOM 0 H ARG A 23 174.700 6.854 -3.304 1.00 0.00 H new ATOM 0 HA ARG A 23 176.481 8.613 -2.235 1.00 0.00 H new ATOM 0 HB2 ARG A 23 176.716 6.397 -0.560 1.00 0.00 H new ATOM 0 HB3 ARG A 23 175.536 7.687 -0.433 1.00 0.00 H new ATOM 0 HG2 ARG A 23 174.916 5.386 -2.258 1.00 0.00 H new ATOM 0 HG3 ARG A 23 174.827 5.117 -0.529 1.00 0.00 H new ATOM 0 HD2 ARG A 23 173.197 6.999 -2.238 1.00 0.00 H new ATOM 0 HD3 ARG A 23 172.640 5.782 -1.106 1.00 0.00 H new ATOM 0 HE ARG A 23 173.148 7.253 0.736 1.00 0.00 H new ATOM 0 HH11 ARG A 23 173.708 8.690 -2.453 1.00 0.00 H new ATOM 0 HH12 ARG A 23 173.650 10.345 -1.839 1.00 0.00 H new ATOM 0 HH21 ARG A 23 173.066 9.383 1.499 1.00 0.00 H new ATOM 0 HH22 ARG A 23 173.289 10.735 0.383 1.00 0.00 H new ATOM 377 N LEU A 24 177.999 5.751 -2.976 1.00 0.00 N ATOM 378 CA LEU A 24 179.300 5.149 -3.243 1.00 0.00 C ATOM 379 C LEU A 24 180.042 5.919 -4.331 1.00 0.00 C ATOM 380 O LEU A 24 181.269 6.013 -4.314 1.00 0.00 O ATOM 381 CB LEU A 24 179.136 3.687 -3.660 1.00 0.00 C ATOM 382 CG LEU A 24 180.385 2.821 -3.490 1.00 0.00 C ATOM 383 CD1 LEU A 24 180.541 2.390 -2.040 1.00 0.00 C ATOM 384 CD2 LEU A 24 180.322 1.608 -4.405 1.00 0.00 C ATOM 0 H LEU A 24 177.209 5.115 -3.087 1.00 0.00 H new ATOM 0 HA LEU A 24 179.887 5.193 -2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 24 178.326 3.248 -3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 24 178.830 3.656 -4.706 1.00 0.00 H new ATOM 0 HG LEU A 24 181.256 3.415 -3.767 1.00 0.00 H new ATOM 0 HD11 LEU A 24 181.435 1.775 -1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 24 180.633 3.272 -1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 24 179.667 1.814 -1.736 1.00 0.00 H new ATOM 0 HD21 LEU A 24 181.219 1.004 -4.270 1.00 0.00 H new ATOM 0 HD22 LEU A 24 179.443 1.012 -4.159 1.00 0.00 H new ATOM 0 HD23 LEU A 24 180.259 1.937 -5.442 1.00 0.00 H new ATOM 396 N ALA A 25 179.286 6.471 -5.277 1.00 0.00 N ATOM 397 CA ALA A 25 179.872 7.233 -6.372 1.00 0.00 C ATOM 398 C ALA A 25 180.493 8.529 -5.861 1.00 0.00 C ATOM 399 O ALA A 25 181.680 8.781 -6.063 1.00 0.00 O ATOM 400 CB ALA A 25 178.819 7.528 -7.432 1.00 0.00 C ATOM 0 H ALA A 25 178.269 6.404 -5.306 1.00 0.00 H new ATOM 0 HA ALA A 25 180.663 6.633 -6.822 1.00 0.00 H new ATOM 0 HB1 ALA A 25 179.270 8.098 -8.244 1.00 0.00 H new ATOM 0 HB2 ALA A 25 178.423 6.590 -7.823 1.00 0.00 H new ATOM 0 HB3 ALA A 25 178.009 8.107 -6.989 1.00 0.00 H new ATOM 406 N LYS A 26 179.682 9.349 -5.200 1.00 0.00 N ATOM 407 CA LYS A 26 180.155 10.619 -4.661 1.00 0.00 C ATOM 408 C LYS A 26 181.271 10.398 -3.643 1.00 0.00 C ATOM 409 O LYS A 26 182.161 11.233 -3.492 1.00 0.00 O ATOM 410 CB LYS A 26 179.000 11.383 -4.010 1.00 0.00 C ATOM 411 CG LYS A 26 178.254 12.292 -4.974 1.00 0.00 C ATOM 412 CD LYS A 26 176.824 11.820 -5.195 1.00 0.00 C ATOM 413 CE LYS A 26 175.924 12.200 -4.030 1.00 0.00 C ATOM 414 NZ LYS A 26 175.576 11.021 -3.190 1.00 0.00 N ATOM 0 H LYS A 26 178.696 9.157 -5.025 1.00 0.00 H new ATOM 0 HA LYS A 26 180.553 11.209 -5.487 1.00 0.00 H new ATOM 0 HB2 LYS A 26 178.298 10.668 -3.581 1.00 0.00 H new ATOM 0 HB3 LYS A 26 179.389 11.981 -3.186 1.00 0.00 H new ATOM 0 HG2 LYS A 26 178.246 13.309 -4.583 1.00 0.00 H new ATOM 0 HG3 LYS A 26 178.780 12.321 -5.928 1.00 0.00 H new ATOM 0 HD2 LYS A 26 176.434 12.256 -6.115 1.00 0.00 H new ATOM 0 HD3 LYS A 26 176.813 10.738 -5.326 1.00 0.00 H new ATOM 0 HE2 LYS A 26 176.423 12.949 -3.415 1.00 0.00 H new ATOM 0 HE3 LYS A 26 175.011 12.657 -4.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 175.544 11.304 -2.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 174.646 10.654 -3.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 176.295 10.280 -3.317 1.00 0.00 H new ATOM 428 N LEU A 27 181.214 9.268 -2.944 1.00 0.00 N ATOM 429 CA LEU A 27 182.218 8.940 -1.940 1.00 0.00 C ATOM 430 C LEU A 27 183.571 8.637 -2.584 1.00 0.00 C ATOM 431 O LEU A 27 184.594 8.597 -1.900 1.00 0.00 O ATOM 432 CB LEU A 27 181.759 7.746 -1.098 1.00 0.00 C ATOM 433 CG LEU A 27 181.890 7.937 0.416 1.00 0.00 C ATOM 434 CD1 LEU A 27 180.559 8.362 1.018 1.00 0.00 C ATOM 435 CD2 LEU A 27 182.389 6.657 1.074 1.00 0.00 C ATOM 0 H LEU A 27 180.483 8.565 -3.055 1.00 0.00 H new ATOM 0 HA LEU A 27 182.338 9.809 -1.293 1.00 0.00 H new ATOM 0 HB2 LEU A 27 180.716 7.533 -1.334 1.00 0.00 H new ATOM 0 HB3 LEU A 27 182.338 6.870 -1.391 1.00 0.00 H new ATOM 0 HG LEU A 27 182.619 8.726 0.601 1.00 0.00 H new ATOM 0 HD11 LEU A 27 180.672 8.493 2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 27 180.241 9.303 0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 27 179.810 7.595 0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 27 182.476 6.811 2.150 1.00 0.00 H new ATOM 0 HD22 LEU A 27 181.684 5.849 0.879 1.00 0.00 H new ATOM 0 HD23 LEU A 27 183.364 6.394 0.665 1.00 0.00 H new ATOM 447 N GLU A 28 183.578 8.427 -3.899 1.00 0.00 N ATOM 448 CA GLU A 28 184.814 8.135 -4.614 1.00 0.00 C ATOM 449 C GLU A 28 185.781 9.318 -4.544 1.00 0.00 C ATOM 450 O GLU A 28 186.973 9.172 -4.816 1.00 0.00 O ATOM 451 CB GLU A 28 184.515 7.770 -6.076 1.00 0.00 C ATOM 452 CG GLU A 28 184.404 8.966 -7.011 1.00 0.00 C ATOM 453 CD GLU A 28 184.111 8.561 -8.441 1.00 0.00 C ATOM 454 OE1 GLU A 28 182.920 8.392 -8.779 1.00 0.00 O ATOM 455 OE2 GLU A 28 185.071 8.412 -9.225 1.00 0.00 O ATOM 0 H GLU A 28 182.745 8.454 -4.487 1.00 0.00 H new ATOM 0 HA GLU A 28 185.290 7.281 -4.132 1.00 0.00 H new ATOM 0 HB2 GLU A 28 185.302 7.110 -6.441 1.00 0.00 H new ATOM 0 HB3 GLU A 28 183.583 7.206 -6.114 1.00 0.00 H new ATOM 0 HG2 GLU A 28 183.615 9.628 -6.656 1.00 0.00 H new ATOM 0 HG3 GLU A 28 185.334 9.534 -6.981 1.00 0.00 H new ATOM 462 N LYS A 29 185.260 10.488 -4.176 1.00 0.00 N ATOM 463 CA LYS A 29 186.079 11.690 -4.069 1.00 0.00 C ATOM 464 C LYS A 29 186.793 11.763 -2.717 1.00 0.00 C ATOM 465 O LYS A 29 187.417 12.773 -2.393 1.00 0.00 O ATOM 466 CB LYS A 29 185.213 12.936 -4.270 1.00 0.00 C ATOM 467 CG LYS A 29 185.202 13.444 -5.705 1.00 0.00 C ATOM 468 CD LYS A 29 183.786 13.534 -6.257 1.00 0.00 C ATOM 469 CE LYS A 29 183.436 12.311 -7.090 1.00 0.00 C ATOM 470 NZ LYS A 29 182.345 12.595 -8.063 1.00 0.00 N ATOM 0 H LYS A 29 184.276 10.627 -3.948 1.00 0.00 H new ATOM 0 HA LYS A 29 186.839 11.647 -4.849 1.00 0.00 H new ATOM 0 HB2 LYS A 29 184.191 12.711 -3.965 1.00 0.00 H new ATOM 0 HB3 LYS A 29 185.574 13.729 -3.615 1.00 0.00 H new ATOM 0 HG2 LYS A 29 185.673 14.426 -5.747 1.00 0.00 H new ATOM 0 HG3 LYS A 29 185.796 12.779 -6.332 1.00 0.00 H new ATOM 0 HD2 LYS A 29 183.078 13.630 -5.433 1.00 0.00 H new ATOM 0 HD3 LYS A 29 183.688 14.432 -6.867 1.00 0.00 H new ATOM 0 HE2 LYS A 29 184.322 11.972 -7.627 1.00 0.00 H new ATOM 0 HE3 LYS A 29 183.132 11.498 -6.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 182.136 11.736 -8.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 181.491 12.894 -7.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 182.644 13.353 -8.709 1.00 0.00 H new ATOM 484 N TRP A 30 186.702 10.688 -1.935 1.00 0.00 N ATOM 485 CA TRP A 30 187.345 10.637 -0.625 1.00 0.00 C ATOM 486 C TRP A 30 188.723 9.988 -0.724 1.00 0.00 C ATOM 487 O TRP A 30 189.140 9.253 0.170 1.00 0.00 O ATOM 488 CB TRP A 30 186.475 9.852 0.360 1.00 0.00 C ATOM 489 CG TRP A 30 185.513 10.704 1.131 1.00 0.00 C ATOM 490 CD1 TRP A 30 184.208 10.957 0.815 1.00 0.00 C ATOM 491 CD2 TRP A 30 185.776 11.408 2.348 1.00 0.00 C ATOM 492 NE1 TRP A 30 183.644 11.776 1.763 1.00 0.00 N ATOM 493 CE2 TRP A 30 184.586 12.067 2.715 1.00 0.00 C ATOM 494 CE3 TRP A 30 186.901 11.546 3.166 1.00 0.00 C ATOM 495 CZ2 TRP A 30 184.492 12.849 3.864 1.00 0.00 C ATOM 496 CZ3 TRP A 30 186.807 12.324 4.304 1.00 0.00 C ATOM 497 CH2 TRP A 30 185.609 12.965 4.645 1.00 0.00 C ATOM 0 H TRP A 30 186.190 9.842 -2.186 1.00 0.00 H new ATOM 0 HA TRP A 30 187.465 11.659 -0.265 1.00 0.00 H new ATOM 0 HB2 TRP A 30 185.915 9.094 -0.188 1.00 0.00 H new ATOM 0 HB3 TRP A 30 187.122 9.325 1.062 1.00 0.00 H new ATOM 0 HD1 TRP A 30 183.695 10.570 -0.053 1.00 0.00 H new ATOM 0 HE1 TRP A 30 182.681 12.113 1.759 1.00 0.00 H new ATOM 0 HE3 TRP A 30 187.828 11.053 2.913 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 183.570 13.346 4.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 187.671 12.440 4.941 1.00 0.00 H new ATOM 0 HH2 TRP A 30 185.566 13.563 5.543 1.00 0.00 H new ATOM 508 N GLN A 31 189.422 10.247 -1.824 1.00 0.00 N ATOM 509 CA GLN A 31 190.753 9.682 -2.046 1.00 0.00 C ATOM 510 C GLN A 31 190.772 8.164 -1.840 1.00 0.00 C ATOM 511 O GLN A 31 191.840 7.559 -1.751 1.00 0.00 O ATOM 512 CB GLN A 31 191.771 10.346 -1.114 1.00 0.00 C ATOM 513 CG GLN A 31 192.915 11.029 -1.846 1.00 0.00 C ATOM 514 CD GLN A 31 193.560 10.135 -2.889 1.00 0.00 C ATOM 515 OE1 GLN A 31 194.183 9.126 -2.559 1.00 0.00 O ATOM 516 NE2 GLN A 31 193.412 10.504 -4.157 1.00 0.00 N ATOM 0 H GLN A 31 189.090 10.846 -2.579 1.00 0.00 H new ATOM 0 HA GLN A 31 191.023 9.880 -3.083 1.00 0.00 H new ATOM 0 HB2 GLN A 31 191.258 11.081 -0.494 1.00 0.00 H new ATOM 0 HB3 GLN A 31 192.180 9.592 -0.441 1.00 0.00 H new ATOM 0 HG2 GLN A 31 192.544 11.933 -2.328 1.00 0.00 H new ATOM 0 HG3 GLN A 31 193.669 11.340 -1.123 1.00 0.00 H new ATOM 0 HE21 GLN A 31 192.887 11.349 -4.384 1.00 0.00 H new ATOM 0 HE22 GLN A 31 193.823 9.943 -4.903 1.00 0.00 H new ATOM 525 N THR A 32 189.592 7.550 -1.767 1.00 0.00 N ATOM 526 CA THR A 32 189.493 6.108 -1.575 1.00 0.00 C ATOM 527 C THR A 32 189.449 5.386 -2.918 1.00 0.00 C ATOM 528 O THR A 32 188.661 5.735 -3.796 1.00 0.00 O ATOM 529 CB THR A 32 188.245 5.768 -0.758 1.00 0.00 C ATOM 530 OG1 THR A 32 188.077 6.685 0.307 1.00 0.00 O ATOM 531 CG2 THR A 32 188.280 4.377 -0.164 1.00 0.00 C ATOM 0 H THR A 32 188.694 8.029 -1.838 1.00 0.00 H new ATOM 0 HA THR A 32 190.377 5.774 -1.031 1.00 0.00 H new ATOM 0 HB THR A 32 187.415 5.825 -1.462 1.00 0.00 H new ATOM 0 HG1 THR A 32 188.374 7.574 0.023 1.00 0.00 H new ATOM 0 HG21 THR A 32 187.366 4.200 0.403 1.00 0.00 H new ATOM 0 HG22 THR A 32 188.359 3.641 -0.965 1.00 0.00 H new ATOM 0 HG23 THR A 32 189.141 4.286 0.498 1.00 0.00 H new ATOM 539 N HIS A 33 190.304 4.381 -3.071 1.00 0.00 N ATOM 540 CA HIS A 33 190.363 3.613 -4.309 1.00 0.00 C ATOM 541 C HIS A 33 189.312 2.503 -4.331 1.00 0.00 C ATOM 542 O HIS A 33 189.221 1.754 -5.303 1.00 0.00 O ATOM 543 CB HIS A 33 191.758 3.017 -4.493 1.00 0.00 C ATOM 544 CG HIS A 33 192.802 4.039 -4.820 1.00 0.00 C ATOM 545 ND1 HIS A 33 193.404 4.134 -6.056 1.00 0.00 N ATOM 546 CD2 HIS A 33 193.346 5.023 -4.064 1.00 0.00 C ATOM 547 CE1 HIS A 33 194.272 5.129 -6.047 1.00 0.00 C ATOM 548 NE2 HIS A 33 194.257 5.685 -4.850 1.00 0.00 N ATOM 0 H HIS A 33 190.965 4.080 -2.355 1.00 0.00 H new ATOM 0 HA HIS A 33 190.150 4.293 -5.133 1.00 0.00 H new ATOM 0 HB2 HIS A 33 192.045 2.494 -3.581 1.00 0.00 H new ATOM 0 HB3 HIS A 33 191.725 2.274 -5.290 1.00 0.00 H new ATOM 0 HD2 HIS A 33 193.107 5.245 -3.034 1.00 0.00 H new ATOM 0 HE1 HIS A 33 194.890 5.436 -6.878 1.00 0.00 H new ATOM 0 HE2 HIS A 33 194.829 6.477 -4.557 1.00 0.00 H new ATOM 557 N LEU A 34 188.514 2.415 -3.261 1.00 0.00 N ATOM 558 CA LEU A 34 187.449 1.413 -3.140 1.00 0.00 C ATOM 559 C LEU A 34 187.738 0.151 -3.953 1.00 0.00 C ATOM 560 O LEU A 34 187.434 0.084 -5.145 1.00 0.00 O ATOM 561 CB LEU A 34 186.118 2.026 -3.571 1.00 0.00 C ATOM 562 CG LEU A 34 185.922 3.485 -3.148 1.00 0.00 C ATOM 563 CD1 LEU A 34 185.533 4.344 -4.337 1.00 0.00 C ATOM 564 CD2 LEU A 34 184.884 3.586 -2.044 1.00 0.00 C ATOM 0 H LEU A 34 188.588 3.036 -2.455 1.00 0.00 H new ATOM 0 HA LEU A 34 187.398 1.111 -2.094 1.00 0.00 H new ATOM 0 HB2 LEU A 34 186.038 1.962 -4.656 1.00 0.00 H new ATOM 0 HB3 LEU A 34 185.306 1.429 -3.156 1.00 0.00 H new ATOM 0 HG LEU A 34 186.870 3.858 -2.760 1.00 0.00 H new ATOM 0 HD11 LEU A 34 185.399 5.376 -4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 34 186.319 4.300 -5.091 1.00 0.00 H new ATOM 0 HD13 LEU A 34 184.601 3.974 -4.764 1.00 0.00 H new ATOM 0 HD21 LEU A 34 184.759 4.630 -1.757 1.00 0.00 H new ATOM 0 HD22 LEU A 34 183.933 3.191 -2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 34 185.214 3.009 -1.180 1.00 0.00 H new ATOM 576 N ILE A 35 188.329 -0.843 -3.300 1.00 0.00 N ATOM 577 CA ILE A 35 188.663 -2.100 -3.958 1.00 0.00 C ATOM 578 C ILE A 35 187.495 -3.080 -3.907 1.00 0.00 C ATOM 579 O ILE A 35 186.929 -3.444 -4.937 1.00 0.00 O ATOM 580 CB ILE A 35 189.896 -2.761 -3.312 1.00 0.00 C ATOM 581 CG1 ILE A 35 190.982 -1.716 -3.043 1.00 0.00 C ATOM 582 CG2 ILE A 35 190.429 -3.875 -4.204 1.00 0.00 C ATOM 583 CD1 ILE A 35 191.595 -1.140 -4.302 1.00 0.00 C ATOM 0 H ILE A 35 188.587 -0.802 -2.314 1.00 0.00 H new ATOM 0 HA ILE A 35 188.887 -1.860 -4.997 1.00 0.00 H new ATOM 0 HB ILE A 35 189.598 -3.198 -2.359 1.00 0.00 H new ATOM 0 HG12 ILE A 35 190.556 -0.905 -2.453 1.00 0.00 H new ATOM 0 HG13 ILE A 35 191.769 -2.169 -2.440 1.00 0.00 H new ATOM 0 HG21 ILE A 35 191.300 -4.332 -3.734 1.00 0.00 H new ATOM 0 HG22 ILE A 35 189.655 -4.629 -4.346 1.00 0.00 H new ATOM 0 HG23 ILE A 35 190.714 -3.462 -5.171 1.00 0.00 H new ATOM 0 HD11 ILE A 35 192.356 -0.407 -4.034 1.00 0.00 H new ATOM 0 HD12 ILE A 35 192.052 -1.941 -4.884 1.00 0.00 H new ATOM 0 HD13 ILE A 35 190.819 -0.657 -4.896 1.00 0.00 H new ATOM 595 N ASN A 36 187.145 -3.508 -2.698 1.00 0.00 N ATOM 596 CA ASN A 36 186.048 -4.449 -2.507 1.00 0.00 C ATOM 597 C ASN A 36 184.853 -3.765 -1.841 1.00 0.00 C ATOM 598 O ASN A 36 184.705 -3.808 -0.619 1.00 0.00 O ATOM 599 CB ASN A 36 186.520 -5.640 -1.664 1.00 0.00 C ATOM 600 CG ASN A 36 185.381 -6.537 -1.216 1.00 0.00 C ATOM 601 OD1 ASN A 36 184.397 -6.720 -1.932 1.00 0.00 O ATOM 602 ND2 ASN A 36 185.509 -7.101 -0.019 1.00 0.00 N ATOM 0 H ASN A 36 187.606 -3.218 -1.836 1.00 0.00 H new ATOM 0 HA ASN A 36 185.729 -4.811 -3.484 1.00 0.00 H new ATOM 0 HB2 ASN A 36 187.232 -6.228 -2.243 1.00 0.00 H new ATOM 0 HB3 ASN A 36 187.050 -5.270 -0.787 1.00 0.00 H new ATOM 0 HD21 ASN A 36 184.775 -7.712 0.338 1.00 0.00 H new ATOM 0 HD22 ASN A 36 186.342 -6.923 0.542 1.00 0.00 H new ATOM 609 N PRO A 37 183.983 -3.125 -2.640 1.00 0.00 N ATOM 610 CA PRO A 37 182.800 -2.433 -2.125 1.00 0.00 C ATOM 611 C PRO A 37 181.659 -3.394 -1.811 1.00 0.00 C ATOM 612 O PRO A 37 180.853 -3.721 -2.682 1.00 0.00 O ATOM 613 CB PRO A 37 182.418 -1.508 -3.279 1.00 0.00 C ATOM 614 CG PRO A 37 182.858 -2.239 -4.502 1.00 0.00 C ATOM 615 CD PRO A 37 184.083 -3.025 -4.110 1.00 0.00 C ATOM 0 HA PRO A 37 182.998 -1.915 -1.187 1.00 0.00 H new ATOM 0 HB2 PRO A 37 181.345 -1.316 -3.296 1.00 0.00 H new ATOM 0 HB3 PRO A 37 182.914 -0.541 -3.194 1.00 0.00 H new ATOM 0 HG2 PRO A 37 182.071 -2.901 -4.863 1.00 0.00 H new ATOM 0 HG3 PRO A 37 183.085 -1.543 -5.310 1.00 0.00 H new ATOM 0 HD2 PRO A 37 184.093 -4.009 -4.578 1.00 0.00 H new ATOM 0 HD3 PRO A 37 184.998 -2.518 -4.415 1.00 0.00 H new ATOM 623 N HIS A 38 181.596 -3.844 -0.563 1.00 0.00 N ATOM 624 CA HIS A 38 180.551 -4.769 -0.138 1.00 0.00 C ATOM 625 C HIS A 38 179.286 -4.015 0.264 1.00 0.00 C ATOM 626 O HIS A 38 179.354 -2.907 0.796 1.00 0.00 O ATOM 627 CB HIS A 38 181.045 -5.626 1.030 1.00 0.00 C ATOM 628 CG HIS A 38 181.059 -7.094 0.727 1.00 0.00 C ATOM 629 ND1 HIS A 38 180.099 -7.904 0.222 1.00 0.00 N flip ATOM 630 CD2 HIS A 38 182.160 -7.897 0.944 1.00 0.00 C flip ATOM 631 CE1 HIS A 38 180.632 -9.167 0.143 1.00 0.00 C flip ATOM 632 NE2 HIS A 38 181.877 -9.135 0.583 1.00 0.00 N flip ATOM 0 H HIS A 38 182.255 -3.584 0.171 1.00 0.00 H new ATOM 0 HA HIS A 38 180.310 -5.419 -0.979 1.00 0.00 H new ATOM 0 HB2 HIS A 38 182.052 -5.309 1.303 1.00 0.00 H new ATOM 0 HB3 HIS A 38 180.409 -5.447 1.897 1.00 0.00 H new ATOM 0 HD2 HIS A 38 183.106 -7.565 1.346 1.00 0.00 H new ATOM 0 HE1 HIS A 38 180.117 -10.044 -0.220 1.00 0.00 H new ATOM 0 HE2 HIS A 38 182.512 -9.932 0.635 1.00 0.00 H new ATOM 641 N ILE A 39 178.133 -4.624 0.004 1.00 0.00 N ATOM 642 CA ILE A 39 176.853 -4.011 0.339 1.00 0.00 C ATOM 643 C ILE A 39 175.841 -5.062 0.785 1.00 0.00 C ATOM 644 O ILE A 39 175.275 -5.786 -0.035 1.00 0.00 O ATOM 645 CB ILE A 39 176.285 -3.218 -0.860 1.00 0.00 C ATOM 646 CG1 ILE A 39 177.121 -1.959 -1.102 1.00 0.00 C ATOM 647 CG2 ILE A 39 174.821 -2.853 -0.633 1.00 0.00 C ATOM 648 CD1 ILE A 39 176.925 -0.887 -0.049 1.00 0.00 C ATOM 0 H ILE A 39 178.059 -5.541 -0.437 1.00 0.00 H new ATOM 0 HA ILE A 39 177.030 -3.321 1.164 1.00 0.00 H new ATOM 0 HB ILE A 39 176.338 -3.852 -1.745 1.00 0.00 H new ATOM 0 HG12 ILE A 39 178.175 -2.234 -1.136 1.00 0.00 H new ATOM 0 HG13 ILE A 39 176.867 -1.547 -2.079 1.00 0.00 H new ATOM 0 HG21 ILE A 39 174.448 -2.296 -1.492 1.00 0.00 H new ATOM 0 HG22 ILE A 39 174.234 -3.763 -0.508 1.00 0.00 H new ATOM 0 HG23 ILE A 39 174.734 -2.239 0.263 1.00 0.00 H new ATOM 0 HD11 ILE A 39 177.549 -0.025 -0.286 1.00 0.00 H new ATOM 0 HD12 ILE A 39 175.878 -0.583 -0.030 1.00 0.00 H new ATOM 0 HD13 ILE A 39 177.206 -1.281 0.928 1.00 0.00 H new ATOM 660 N ILE A 40 175.613 -5.132 2.093 1.00 0.00 N ATOM 661 CA ILE A 40 174.664 -6.084 2.658 1.00 0.00 C ATOM 662 C ILE A 40 173.458 -5.353 3.243 1.00 0.00 C ATOM 663 O ILE A 40 173.490 -4.903 4.388 1.00 0.00 O ATOM 664 CB ILE A 40 175.324 -6.947 3.755 1.00 0.00 C ATOM 665 CG1 ILE A 40 176.486 -7.750 3.168 1.00 0.00 C ATOM 666 CG2 ILE A 40 174.304 -7.877 4.397 1.00 0.00 C ATOM 667 CD1 ILE A 40 177.823 -7.047 3.274 1.00 0.00 C ATOM 0 H ILE A 40 176.074 -4.539 2.783 1.00 0.00 H new ATOM 0 HA ILE A 40 174.334 -6.738 1.851 1.00 0.00 H new ATOM 0 HB ILE A 40 175.712 -6.284 4.528 1.00 0.00 H new ATOM 0 HG12 ILE A 40 176.548 -8.710 3.680 1.00 0.00 H new ATOM 0 HG13 ILE A 40 176.278 -7.961 2.119 1.00 0.00 H new ATOM 0 HG21 ILE A 40 174.791 -8.475 5.167 1.00 0.00 H new ATOM 0 HG22 ILE A 40 173.506 -7.287 4.847 1.00 0.00 H new ATOM 0 HG23 ILE A 40 173.884 -8.536 3.637 1.00 0.00 H new ATOM 0 HD11 ILE A 40 178.600 -7.675 2.838 1.00 0.00 H new ATOM 0 HD12 ILE A 40 177.779 -6.099 2.738 1.00 0.00 H new ATOM 0 HD13 ILE A 40 178.054 -6.860 4.323 1.00 0.00 H new ATOM 679 N LEU A 41 172.399 -5.233 2.448 1.00 0.00 N ATOM 680 CA LEU A 41 171.190 -4.548 2.890 1.00 0.00 C ATOM 681 C LEU A 41 170.038 -5.528 3.087 1.00 0.00 C ATOM 682 O LEU A 41 169.395 -5.947 2.126 1.00 0.00 O ATOM 683 CB LEU A 41 170.791 -3.476 1.873 1.00 0.00 C ATOM 684 CG LEU A 41 169.472 -2.760 2.171 1.00 0.00 C ATOM 685 CD1 LEU A 41 169.652 -1.252 2.094 1.00 0.00 C ATOM 686 CD2 LEU A 41 168.387 -3.220 1.209 1.00 0.00 C ATOM 0 H LEU A 41 172.354 -5.600 1.497 1.00 0.00 H new ATOM 0 HA LEU A 41 171.404 -4.077 3.849 1.00 0.00 H new ATOM 0 HB2 LEU A 41 171.587 -2.733 1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 41 170.721 -3.939 0.889 1.00 0.00 H new ATOM 0 HG LEU A 41 169.163 -3.016 3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 41 168.703 -0.761 2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 41 170.397 -0.937 2.824 1.00 0.00 H new ATOM 0 HD13 LEU A 41 169.985 -0.976 1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 41 167.456 -2.701 1.435 1.00 0.00 H new ATOM 0 HD22 LEU A 41 168.688 -2.995 0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 41 168.238 -4.295 1.315 1.00 0.00 H new ATOM 698 N SER A 42 169.782 -5.886 4.341 1.00 0.00 N ATOM 699 CA SER A 42 168.705 -6.815 4.663 1.00 0.00 C ATOM 700 C SER A 42 167.588 -6.115 5.430 1.00 0.00 C ATOM 701 O SER A 42 167.830 -5.154 6.161 1.00 0.00 O ATOM 702 CB SER A 42 169.244 -7.986 5.487 1.00 0.00 C ATOM 703 OG SER A 42 170.258 -8.682 4.784 1.00 0.00 O ATOM 0 H SER A 42 170.304 -5.548 5.149 1.00 0.00 H new ATOM 0 HA SER A 42 168.296 -7.193 3.726 1.00 0.00 H new ATOM 0 HB2 SER A 42 169.641 -7.617 6.433 1.00 0.00 H new ATOM 0 HB3 SER A 42 168.430 -8.670 5.728 1.00 0.00 H new ATOM 0 HG SER A 42 170.975 -8.931 5.405 1.00 0.00 H new ATOM 709 N LYS A 43 166.366 -6.608 5.264 1.00 0.00 N ATOM 710 CA LYS A 43 165.207 -6.037 5.943 1.00 0.00 C ATOM 711 C LYS A 43 165.049 -6.640 7.336 1.00 0.00 C ATOM 712 O LYS A 43 164.770 -7.831 7.476 1.00 0.00 O ATOM 713 CB LYS A 43 163.942 -6.280 5.119 1.00 0.00 C ATOM 714 CG LYS A 43 162.736 -5.491 5.606 1.00 0.00 C ATOM 715 CD LYS A 43 161.708 -6.393 6.274 1.00 0.00 C ATOM 716 CE LYS A 43 161.773 -6.286 7.788 1.00 0.00 C ATOM 717 NZ LYS A 43 160.508 -6.735 8.434 1.00 0.00 N ATOM 0 H LYS A 43 166.151 -7.404 4.664 1.00 0.00 H new ATOM 0 HA LYS A 43 165.362 -4.963 6.047 1.00 0.00 H new ATOM 0 HB2 LYS A 43 164.140 -6.019 4.079 1.00 0.00 H new ATOM 0 HB3 LYS A 43 163.703 -7.343 5.141 1.00 0.00 H new ATOM 0 HG2 LYS A 43 163.062 -4.726 6.311 1.00 0.00 H new ATOM 0 HG3 LYS A 43 162.275 -4.974 4.764 1.00 0.00 H new ATOM 0 HD2 LYS A 43 160.709 -6.123 5.932 1.00 0.00 H new ATOM 0 HD3 LYS A 43 161.880 -7.427 5.974 1.00 0.00 H new ATOM 0 HE2 LYS A 43 162.603 -6.888 8.159 1.00 0.00 H new ATOM 0 HE3 LYS A 43 161.977 -5.253 8.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 160.707 -7.050 9.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 159.831 -5.946 8.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 160.101 -7.523 7.891 1.00 0.00 H new ATOM 731 N GLU A 44 165.235 -5.815 8.361 1.00 0.00 N ATOM 732 CA GLU A 44 165.117 -6.278 9.741 1.00 0.00 C ATOM 733 C GLU A 44 163.860 -5.723 10.406 1.00 0.00 C ATOM 734 O GLU A 44 163.454 -4.592 10.142 1.00 0.00 O ATOM 735 CB GLU A 44 166.354 -5.870 10.543 1.00 0.00 C ATOM 736 CG GLU A 44 167.099 -7.047 11.153 1.00 0.00 C ATOM 737 CD GLU A 44 167.159 -6.979 12.667 1.00 0.00 C ATOM 738 OE1 GLU A 44 167.320 -5.864 13.205 1.00 0.00 O ATOM 739 OE2 GLU A 44 167.043 -8.042 13.313 1.00 0.00 O ATOM 0 H GLU A 44 165.467 -4.826 8.264 1.00 0.00 H new ATOM 0 HA GLU A 44 165.041 -7.365 9.724 1.00 0.00 H new ATOM 0 HB2 GLU A 44 167.033 -5.319 9.893 1.00 0.00 H new ATOM 0 HB3 GLU A 44 166.052 -5.189 11.339 1.00 0.00 H new ATOM 0 HG2 GLU A 44 166.612 -7.975 10.854 1.00 0.00 H new ATOM 0 HG3 GLU A 44 168.113 -7.076 10.754 1.00 0.00 H new ATOM 746 N PRO A 45 163.230 -6.522 11.288 1.00 0.00 N ATOM 747 CA PRO A 45 162.019 -6.132 12.007 1.00 0.00 C ATOM 748 C PRO A 45 162.031 -4.674 12.447 1.00 0.00 C ATOM 749 O PRO A 45 161.085 -3.927 12.197 1.00 0.00 O ATOM 750 CB PRO A 45 162.024 -7.039 13.248 1.00 0.00 C ATOM 751 CG PRO A 45 163.149 -8.015 13.069 1.00 0.00 C ATOM 752 CD PRO A 45 163.643 -7.878 11.655 1.00 0.00 C ATOM 0 HA PRO A 45 161.138 -6.237 11.373 1.00 0.00 H new ATOM 0 HB2 PRO A 45 162.163 -6.451 14.155 1.00 0.00 H new ATOM 0 HB3 PRO A 45 161.072 -7.561 13.349 1.00 0.00 H new ATOM 0 HG2 PRO A 45 163.952 -7.810 13.777 1.00 0.00 H new ATOM 0 HG3 PRO A 45 162.808 -9.033 13.260 1.00 0.00 H new ATOM 0 HD2 PRO A 45 164.724 -8.001 11.592 1.00 0.00 H new ATOM 0 HD3 PRO A 45 163.199 -8.626 10.999 1.00 0.00 H new ATOM 760 N GLN A 46 163.096 -4.287 13.136 1.00 0.00 N ATOM 761 CA GLN A 46 163.223 -2.932 13.650 1.00 0.00 C ATOM 762 C GLN A 46 164.140 -2.068 12.788 1.00 0.00 C ATOM 763 O GLN A 46 165.021 -1.378 13.305 1.00 0.00 O ATOM 764 CB GLN A 46 163.741 -2.982 15.086 1.00 0.00 C ATOM 765 CG GLN A 46 163.292 -1.805 15.938 1.00 0.00 C ATOM 766 CD GLN A 46 162.114 -2.142 16.831 1.00 0.00 C ATOM 767 OE1 GLN A 46 162.112 -1.824 18.020 1.00 0.00 O ATOM 768 NE2 GLN A 46 161.104 -2.791 16.262 1.00 0.00 N ATOM 0 H GLN A 46 163.886 -4.895 13.352 1.00 0.00 H new ATOM 0 HA GLN A 46 162.236 -2.471 13.624 1.00 0.00 H new ATOM 0 HB2 GLN A 46 163.403 -3.907 15.553 1.00 0.00 H new ATOM 0 HB3 GLN A 46 164.830 -3.013 15.069 1.00 0.00 H new ATOM 0 HG2 GLN A 46 164.126 -1.470 16.555 1.00 0.00 H new ATOM 0 HG3 GLN A 46 163.023 -0.973 15.287 1.00 0.00 H new ATOM 0 HE21 GLN A 46 161.147 -3.035 15.273 1.00 0.00 H new ATOM 0 HE22 GLN A 46 160.285 -3.045 16.815 1.00 0.00 H new ATOM 777 N GLY A 47 163.919 -2.085 11.476 1.00 0.00 N ATOM 778 CA GLY A 47 164.728 -1.271 10.584 1.00 0.00 C ATOM 779 C GLY A 47 165.576 -2.073 9.616 1.00 0.00 C ATOM 780 O GLY A 47 165.802 -3.269 9.810 1.00 0.00 O ATOM 0 H GLY A 47 163.200 -2.644 11.017 1.00 0.00 H new ATOM 0 HA2 GLY A 47 164.072 -0.611 10.016 1.00 0.00 H new ATOM 0 HA3 GLY A 47 165.381 -0.634 11.181 1.00 0.00 H new ATOM 784 N PHE A 48 166.049 -1.398 8.573 1.00 0.00 N ATOM 785 CA PHE A 48 166.889 -2.018 7.556 1.00 0.00 C ATOM 786 C PHE A 48 168.307 -2.208 8.081 1.00 0.00 C ATOM 787 O PHE A 48 168.781 -1.415 8.896 1.00 0.00 O ATOM 788 CB PHE A 48 166.931 -1.144 6.301 1.00 0.00 C ATOM 789 CG PHE A 48 165.928 -1.522 5.250 1.00 0.00 C ATOM 790 CD1 PHE A 48 165.815 -2.833 4.816 1.00 0.00 C ATOM 791 CD2 PHE A 48 165.103 -0.561 4.689 1.00 0.00 C ATOM 792 CE1 PHE A 48 164.895 -3.177 3.843 1.00 0.00 C ATOM 793 CE2 PHE A 48 164.183 -0.900 3.718 1.00 0.00 C ATOM 794 CZ PHE A 48 164.078 -2.209 3.293 1.00 0.00 C ATOM 0 H PHE A 48 165.861 -0.409 8.410 1.00 0.00 H new ATOM 0 HA PHE A 48 166.463 -2.990 7.308 1.00 0.00 H new ATOM 0 HB2 PHE A 48 166.764 -0.106 6.590 1.00 0.00 H new ATOM 0 HB3 PHE A 48 167.930 -1.197 5.869 1.00 0.00 H new ATOM 0 HD1 PHE A 48 166.452 -3.594 5.242 1.00 0.00 H new ATOM 0 HD2 PHE A 48 165.181 0.466 5.015 1.00 0.00 H new ATOM 0 HE1 PHE A 48 164.815 -4.202 3.513 1.00 0.00 H new ATOM 0 HE2 PHE A 48 163.545 -0.141 3.290 1.00 0.00 H new ATOM 0 HZ PHE A 48 163.359 -2.475 2.532 1.00 0.00 H new ATOM 804 N VAL A 49 168.977 -3.255 7.608 1.00 0.00 N ATOM 805 CA VAL A 49 170.345 -3.545 8.023 1.00 0.00 C ATOM 806 C VAL A 49 171.325 -3.311 6.878 1.00 0.00 C ATOM 807 O VAL A 49 171.573 -4.204 6.069 1.00 0.00 O ATOM 808 CB VAL A 49 170.489 -5.000 8.510 1.00 0.00 C ATOM 809 CG1 VAL A 49 171.896 -5.253 9.037 1.00 0.00 C ATOM 810 CG2 VAL A 49 169.450 -5.317 9.576 1.00 0.00 C ATOM 0 H VAL A 49 168.593 -3.918 6.935 1.00 0.00 H new ATOM 0 HA VAL A 49 170.576 -2.868 8.846 1.00 0.00 H new ATOM 0 HB VAL A 49 170.318 -5.662 7.661 1.00 0.00 H new ATOM 0 HG11 VAL A 49 171.977 -6.286 9.376 1.00 0.00 H new ATOM 0 HG12 VAL A 49 172.620 -5.074 8.242 1.00 0.00 H new ATOM 0 HG13 VAL A 49 172.099 -4.581 9.871 1.00 0.00 H new ATOM 0 HG21 VAL A 49 169.570 -6.349 9.905 1.00 0.00 H new ATOM 0 HG22 VAL A 49 169.584 -4.647 10.425 1.00 0.00 H new ATOM 0 HG23 VAL A 49 168.451 -5.182 9.162 1.00 0.00 H new ATOM 820 N ALA A 50 171.882 -2.105 6.813 1.00 0.00 N ATOM 821 CA ALA A 50 172.835 -1.763 5.765 1.00 0.00 C ATOM 822 C ALA A 50 174.268 -1.996 6.230 1.00 0.00 C ATOM 823 O ALA A 50 174.876 -1.131 6.861 1.00 0.00 O ATOM 824 CB ALA A 50 172.648 -0.317 5.330 1.00 0.00 C ATOM 0 H ALA A 50 171.690 -1.351 7.472 1.00 0.00 H new ATOM 0 HA ALA A 50 172.646 -2.414 4.911 1.00 0.00 H new ATOM 0 HB1 ALA A 50 173.367 -0.077 4.547 1.00 0.00 H new ATOM 0 HB2 ALA A 50 171.636 -0.180 4.948 1.00 0.00 H new ATOM 0 HB3 ALA A 50 172.807 0.343 6.183 1.00 0.00 H new ATOM 830 N ASP A 51 174.804 -3.171 5.914 1.00 0.00 N ATOM 831 CA ASP A 51 176.166 -3.520 6.301 1.00 0.00 C ATOM 832 C ASP A 51 177.097 -3.506 5.092 1.00 0.00 C ATOM 833 O ASP A 51 177.255 -4.516 4.407 1.00 0.00 O ATOM 834 CB ASP A 51 176.192 -4.898 6.969 1.00 0.00 C ATOM 835 CG ASP A 51 176.950 -4.889 8.282 1.00 0.00 C ATOM 836 OD1 ASP A 51 178.197 -4.935 8.247 1.00 0.00 O ATOM 837 OD2 ASP A 51 176.296 -4.837 9.344 1.00 0.00 O ATOM 0 H ASP A 51 174.315 -3.898 5.391 1.00 0.00 H new ATOM 0 HA ASP A 51 176.518 -2.774 7.013 1.00 0.00 H new ATOM 0 HB2 ASP A 51 175.170 -5.233 7.145 1.00 0.00 H new ATOM 0 HB3 ASP A 51 176.651 -5.618 6.292 1.00 0.00 H new ATOM 842 N ALA A 52 177.710 -2.355 4.839 1.00 0.00 N ATOM 843 CA ALA A 52 178.627 -2.206 3.715 1.00 0.00 C ATOM 844 C ALA A 52 180.079 -2.284 4.178 1.00 0.00 C ATOM 845 O ALA A 52 180.411 -1.855 5.284 1.00 0.00 O ATOM 846 CB ALA A 52 178.371 -0.889 2.997 1.00 0.00 C ATOM 0 H ALA A 52 177.588 -1.510 5.398 1.00 0.00 H new ATOM 0 HA ALA A 52 178.449 -3.027 3.021 1.00 0.00 H new ATOM 0 HB1 ALA A 52 179.062 -0.790 2.160 1.00 0.00 H new ATOM 0 HB2 ALA A 52 177.346 -0.870 2.625 1.00 0.00 H new ATOM 0 HB3 ALA A 52 178.521 -0.061 3.690 1.00 0.00 H new ATOM 852 N THR A 53 180.938 -2.834 3.328 1.00 0.00 N ATOM 853 CA THR A 53 182.354 -2.968 3.650 1.00 0.00 C ATOM 854 C THR A 53 183.219 -2.638 2.438 1.00 0.00 C ATOM 855 O THR A 53 183.282 -3.409 1.479 1.00 0.00 O ATOM 856 CB THR A 53 182.659 -4.386 4.141 1.00 0.00 C ATOM 857 OG1 THR A 53 181.557 -5.246 3.913 1.00 0.00 O ATOM 858 CG2 THR A 53 182.991 -4.448 5.616 1.00 0.00 C ATOM 0 H THR A 53 180.679 -3.195 2.410 1.00 0.00 H new ATOM 0 HA THR A 53 182.588 -2.261 4.446 1.00 0.00 H new ATOM 0 HB THR A 53 183.532 -4.706 3.573 1.00 0.00 H new ATOM 0 HG1 THR A 53 181.774 -6.147 4.232 1.00 0.00 H new ATOM 0 HG21 THR A 53 183.197 -5.480 5.900 1.00 0.00 H new ATOM 0 HG22 THR A 53 183.869 -3.834 5.817 1.00 0.00 H new ATOM 0 HG23 THR A 53 182.147 -4.074 6.195 1.00 0.00 H new ATOM 866 N ILE A 54 183.884 -1.489 2.485 1.00 0.00 N ATOM 867 CA ILE A 54 184.746 -1.060 1.389 1.00 0.00 C ATOM 868 C ILE A 54 186.215 -1.228 1.756 1.00 0.00 C ATOM 869 O ILE A 54 186.720 -0.555 2.655 1.00 0.00 O ATOM 870 CB ILE A 54 184.493 0.413 1.002 1.00 0.00 C ATOM 871 CG1 ILE A 54 183.034 0.801 1.259 1.00 0.00 C ATOM 872 CG2 ILE A 54 184.856 0.645 -0.459 1.00 0.00 C ATOM 873 CD1 ILE A 54 182.749 2.269 1.029 1.00 0.00 C ATOM 0 H ILE A 54 183.843 -0.838 3.269 1.00 0.00 H new ATOM 0 HA ILE A 54 184.505 -1.693 0.535 1.00 0.00 H new ATOM 0 HB ILE A 54 185.127 1.044 1.625 1.00 0.00 H new ATOM 0 HG12 ILE A 54 182.389 0.208 0.610 1.00 0.00 H new ATOM 0 HG13 ILE A 54 182.774 0.545 2.286 1.00 0.00 H new ATOM 0 HG21 ILE A 54 184.673 1.688 -0.718 1.00 0.00 H new ATOM 0 HG22 ILE A 54 185.910 0.413 -0.613 1.00 0.00 H new ATOM 0 HG23 ILE A 54 184.246 0.001 -1.092 1.00 0.00 H new ATOM 0 HD11 ILE A 54 181.697 2.471 1.230 1.00 0.00 H new ATOM 0 HD12 ILE A 54 183.368 2.869 1.697 1.00 0.00 H new ATOM 0 HD13 ILE A 54 182.977 2.526 -0.005 1.00 0.00 H new ATOM 885 N ASN A 55 186.896 -2.131 1.059 1.00 0.00 N ATOM 886 CA ASN A 55 188.308 -2.385 1.319 1.00 0.00 C ATOM 887 C ASN A 55 189.177 -1.267 0.757 1.00 0.00 C ATOM 888 O ASN A 55 189.611 -1.318 -0.394 1.00 0.00 O ATOM 889 CB ASN A 55 188.728 -3.726 0.717 1.00 0.00 C ATOM 890 CG ASN A 55 189.827 -4.400 1.517 1.00 0.00 C ATOM 891 OD1 ASN A 55 189.599 -5.411 2.179 1.00 0.00 O ATOM 892 ND2 ASN A 55 191.029 -3.836 1.461 1.00 0.00 N ATOM 0 H ASN A 55 186.495 -2.698 0.312 1.00 0.00 H new ATOM 0 HA ASN A 55 188.450 -2.420 2.399 1.00 0.00 H new ATOM 0 HB2 ASN A 55 187.862 -4.386 0.667 1.00 0.00 H new ATOM 0 HB3 ASN A 55 189.070 -3.571 -0.306 1.00 0.00 H new ATOM 0 HD21 ASN A 55 191.807 -4.242 1.980 1.00 0.00 H new ATOM 0 HD22 ASN A 55 191.173 -2.997 0.899 1.00 0.00 H new ATOM 899 N THR A 56 189.429 -0.258 1.583 1.00 0.00 N ATOM 900 CA THR A 56 190.250 0.877 1.180 1.00 0.00 C ATOM 901 C THR A 56 191.730 0.561 1.374 1.00 0.00 C ATOM 902 O THR A 56 192.093 -0.199 2.270 1.00 0.00 O ATOM 903 CB THR A 56 189.871 2.116 1.997 1.00 0.00 C ATOM 904 OG1 THR A 56 190.632 3.240 1.592 1.00 0.00 O ATOM 905 CG2 THR A 56 190.079 1.936 3.486 1.00 0.00 C ATOM 0 H THR A 56 189.075 -0.203 2.538 1.00 0.00 H new ATOM 0 HA THR A 56 190.070 1.076 0.124 1.00 0.00 H new ATOM 0 HB THR A 56 188.809 2.271 1.808 1.00 0.00 H new ATOM 0 HG1 THR A 56 190.491 3.975 2.224 1.00 0.00 H new ATOM 0 HG21 THR A 56 189.792 2.850 4.007 1.00 0.00 H new ATOM 0 HG22 THR A 56 189.466 1.108 3.842 1.00 0.00 H new ATOM 0 HG23 THR A 56 191.129 1.721 3.683 1.00 0.00 H new ATOM 913 N PRO A 57 192.608 1.143 0.542 1.00 0.00 N ATOM 914 CA PRO A 57 194.053 0.921 0.636 1.00 0.00 C ATOM 915 C PRO A 57 194.567 1.059 2.068 1.00 0.00 C ATOM 916 O PRO A 57 195.593 0.482 2.428 1.00 0.00 O ATOM 917 CB PRO A 57 194.655 2.020 -0.260 1.00 0.00 C ATOM 918 CG PRO A 57 193.515 2.911 -0.635 1.00 0.00 C ATOM 919 CD PRO A 57 192.280 2.063 -0.552 1.00 0.00 C ATOM 0 HA PRO A 57 194.327 -0.088 0.328 1.00 0.00 H new ATOM 0 HB2 PRO A 57 195.428 2.576 0.270 1.00 0.00 H new ATOM 0 HB3 PRO A 57 195.122 1.590 -1.146 1.00 0.00 H new ATOM 0 HG2 PRO A 57 193.448 3.764 0.040 1.00 0.00 H new ATOM 0 HG3 PRO A 57 193.647 3.310 -1.641 1.00 0.00 H new ATOM 0 HD2 PRO A 57 191.393 2.657 -0.332 1.00 0.00 H new ATOM 0 HD3 PRO A 57 192.086 1.534 -1.485 1.00 0.00 H new ATOM 927 N ASN A 58 193.845 1.825 2.881 1.00 0.00 N ATOM 928 CA ASN A 58 194.228 2.039 4.273 1.00 0.00 C ATOM 929 C ASN A 58 193.495 1.075 5.207 1.00 0.00 C ATOM 930 O ASN A 58 193.413 1.311 6.411 1.00 0.00 O ATOM 931 CB ASN A 58 193.933 3.482 4.683 1.00 0.00 C ATOM 932 CG ASN A 58 194.995 4.051 5.604 1.00 0.00 C ATOM 933 OD1 ASN A 58 195.583 5.094 5.321 1.00 0.00 O ATOM 934 ND2 ASN A 58 195.244 3.365 6.713 1.00 0.00 N ATOM 0 H ASN A 58 192.992 2.308 2.600 1.00 0.00 H new ATOM 0 HA ASN A 58 195.298 1.848 4.359 1.00 0.00 H new ATOM 0 HB2 ASN A 58 193.860 4.103 3.790 1.00 0.00 H new ATOM 0 HB3 ASN A 58 192.964 3.524 5.181 1.00 0.00 H new ATOM 0 HD21 ASN A 58 195.948 3.698 7.372 1.00 0.00 H new ATOM 0 HD22 ASN A 58 194.731 2.505 6.906 1.00 0.00 H new ATOM 941 N GLY A 59 192.965 -0.010 4.647 1.00 0.00 N ATOM 942 CA GLY A 59 192.251 -0.984 5.452 1.00 0.00 C ATOM 943 C GLY A 59 190.873 -1.299 4.901 1.00 0.00 C ATOM 944 O GLY A 59 190.731 -1.666 3.735 1.00 0.00 O ATOM 0 H GLY A 59 193.018 -0.231 3.653 1.00 0.00 H new ATOM 0 HA2 GLY A 59 192.835 -1.903 5.507 1.00 0.00 H new ATOM 0 HA3 GLY A 59 192.154 -0.607 6.470 1.00 0.00 H new ATOM 948 N VAL A 60 189.854 -1.160 5.745 1.00 0.00 N ATOM 949 CA VAL A 60 188.480 -1.432 5.338 1.00 0.00 C ATOM 950 C VAL A 60 187.499 -0.541 6.092 1.00 0.00 C ATOM 951 O VAL A 60 187.616 -0.359 7.304 1.00 0.00 O ATOM 952 CB VAL A 60 188.103 -2.908 5.578 1.00 0.00 C ATOM 953 CG1 VAL A 60 186.738 -3.214 4.982 1.00 0.00 C ATOM 954 CG2 VAL A 60 189.165 -3.829 4.998 1.00 0.00 C ATOM 0 H VAL A 60 189.955 -0.861 6.715 1.00 0.00 H new ATOM 0 HA VAL A 60 188.418 -1.218 4.271 1.00 0.00 H new ATOM 0 HB VAL A 60 188.051 -3.082 6.653 1.00 0.00 H new ATOM 0 HG11 VAL A 60 186.489 -4.260 5.161 1.00 0.00 H new ATOM 0 HG12 VAL A 60 185.986 -2.577 5.448 1.00 0.00 H new ATOM 0 HG13 VAL A 60 186.759 -3.025 3.909 1.00 0.00 H new ATOM 0 HG21 VAL A 60 188.883 -4.867 5.176 1.00 0.00 H new ATOM 0 HG22 VAL A 60 189.251 -3.655 3.925 1.00 0.00 H new ATOM 0 HG23 VAL A 60 190.123 -3.626 5.476 1.00 0.00 H new ATOM 964 N LEU A 61 186.533 0.015 5.368 1.00 0.00 N ATOM 965 CA LEU A 61 185.534 0.890 5.970 1.00 0.00 C ATOM 966 C LEU A 61 184.169 0.212 6.012 1.00 0.00 C ATOM 967 O LEU A 61 183.596 -0.118 4.973 1.00 0.00 O ATOM 968 CB LEU A 61 185.438 2.205 5.192 1.00 0.00 C ATOM 969 CG LEU A 61 186.767 2.736 4.643 1.00 0.00 C ATOM 970 CD1 LEU A 61 186.710 2.866 3.128 1.00 0.00 C ATOM 971 CD2 LEU A 61 187.114 4.074 5.282 1.00 0.00 C ATOM 0 H LEU A 61 186.421 -0.125 4.364 1.00 0.00 H new ATOM 0 HA LEU A 61 185.846 1.103 6.992 1.00 0.00 H new ATOM 0 HB2 LEU A 61 184.748 2.067 4.359 1.00 0.00 H new ATOM 0 HB3 LEU A 61 185.003 2.963 5.843 1.00 0.00 H new ATOM 0 HG LEU A 61 187.550 2.021 4.895 1.00 0.00 H new ATOM 0 HD11 LEU A 61 187.663 3.244 2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 61 186.512 1.889 2.686 1.00 0.00 H new ATOM 0 HD13 LEU A 61 185.914 3.557 2.852 1.00 0.00 H new ATOM 0 HD21 LEU A 61 188.061 4.435 4.880 1.00 0.00 H new ATOM 0 HD22 LEU A 61 186.328 4.797 5.063 1.00 0.00 H new ATOM 0 HD23 LEU A 61 187.202 3.950 6.361 1.00 0.00 H new ATOM 983 N VAL A 62 183.655 0.005 7.220 1.00 0.00 N ATOM 984 CA VAL A 62 182.359 -0.638 7.398 1.00 0.00 C ATOM 985 C VAL A 62 181.243 0.398 7.477 1.00 0.00 C ATOM 986 O VAL A 62 181.113 1.112 8.471 1.00 0.00 O ATOM 987 CB VAL A 62 182.335 -1.513 8.669 1.00 0.00 C ATOM 988 CG1 VAL A 62 180.959 -2.133 8.877 1.00 0.00 C ATOM 989 CG2 VAL A 62 183.405 -2.591 8.586 1.00 0.00 C ATOM 0 H VAL A 62 184.116 0.273 8.089 1.00 0.00 H new ATOM 0 HA VAL A 62 182.196 -1.276 6.530 1.00 0.00 H new ATOM 0 HB VAL A 62 182.548 -0.877 9.528 1.00 0.00 H new ATOM 0 HG11 VAL A 62 180.968 -2.745 9.779 1.00 0.00 H new ATOM 0 HG12 VAL A 62 180.216 -1.343 8.982 1.00 0.00 H new ATOM 0 HG13 VAL A 62 180.707 -2.756 8.019 1.00 0.00 H new ATOM 0 HG21 VAL A 62 183.377 -3.201 9.489 1.00 0.00 H new ATOM 0 HG22 VAL A 62 183.220 -3.221 7.716 1.00 0.00 H new ATOM 0 HG23 VAL A 62 184.386 -2.124 8.494 1.00 0.00 H new ATOM 999 N ALA A 63 180.440 0.471 6.422 1.00 0.00 N ATOM 1000 CA ALA A 63 179.333 1.416 6.370 1.00 0.00 C ATOM 1001 C ALA A 63 178.071 0.810 6.973 1.00 0.00 C ATOM 1002 O ALA A 63 177.230 0.263 6.259 1.00 0.00 O ATOM 1003 CB ALA A 63 179.085 1.852 4.934 1.00 0.00 C ATOM 0 H ALA A 63 180.535 -0.113 5.591 1.00 0.00 H new ATOM 0 HA ALA A 63 179.599 2.292 6.961 1.00 0.00 H new ATOM 0 HB1 ALA A 63 178.255 2.558 4.906 1.00 0.00 H new ATOM 0 HB2 ALA A 63 179.982 2.330 4.539 1.00 0.00 H new ATOM 0 HB3 ALA A 63 178.840 0.981 4.326 1.00 0.00 H new ATOM 1009 N SER A 64 177.946 0.910 8.293 1.00 0.00 N ATOM 1010 CA SER A 64 176.788 0.369 8.993 1.00 0.00 C ATOM 1011 C SER A 64 175.727 1.442 9.211 1.00 0.00 C ATOM 1012 O SER A 64 176.010 2.508 9.758 1.00 0.00 O ATOM 1013 CB SER A 64 177.210 -0.227 10.337 1.00 0.00 C ATOM 1014 OG SER A 64 178.589 -0.558 10.337 1.00 0.00 O ATOM 0 H SER A 64 178.632 1.361 8.898 1.00 0.00 H new ATOM 0 HA SER A 64 176.358 -0.417 8.372 1.00 0.00 H new ATOM 0 HB2 SER A 64 177.004 0.486 11.135 1.00 0.00 H new ATOM 0 HB3 SER A 64 176.619 -1.119 10.545 1.00 0.00 H new ATOM 0 HG SER A 64 178.835 -0.935 11.207 1.00 0.00 H new ATOM 1020 N GLY A 65 174.505 1.149 8.781 1.00 0.00 N ATOM 1021 CA GLY A 65 173.415 2.093 8.938 1.00 0.00 C ATOM 1022 C GLY A 65 172.068 1.402 9.000 1.00 0.00 C ATOM 1023 O GLY A 65 171.626 0.804 8.021 1.00 0.00 O ATOM 0 H GLY A 65 174.250 0.273 8.326 1.00 0.00 H new ATOM 0 HA2 GLY A 65 173.567 2.673 9.848 1.00 0.00 H new ATOM 0 HA3 GLY A 65 173.423 2.797 8.106 1.00 0.00 H new ATOM 1027 N LYS A 66 171.414 1.478 10.155 1.00 0.00 N ATOM 1028 CA LYS A 66 170.113 0.846 10.334 1.00 0.00 C ATOM 1029 C LYS A 66 168.999 1.885 10.403 1.00 0.00 C ATOM 1030 O LYS A 66 169.193 2.978 10.934 1.00 0.00 O ATOM 1031 CB LYS A 66 170.110 -0.022 11.599 1.00 0.00 C ATOM 1032 CG LYS A 66 170.112 0.773 12.898 1.00 0.00 C ATOM 1033 CD LYS A 66 171.512 0.888 13.482 1.00 0.00 C ATOM 1034 CE LYS A 66 171.520 1.748 14.737 1.00 0.00 C ATOM 1035 NZ LYS A 66 171.584 3.200 14.415 1.00 0.00 N ATOM 0 H LYS A 66 171.763 1.969 10.978 1.00 0.00 H new ATOM 0 HA LYS A 66 169.927 0.210 9.469 1.00 0.00 H new ATOM 0 HB2 LYS A 66 169.232 -0.667 11.582 1.00 0.00 H new ATOM 0 HB3 LYS A 66 170.984 -0.673 11.582 1.00 0.00 H new ATOM 0 HG2 LYS A 66 169.710 1.770 12.716 1.00 0.00 H new ATOM 0 HG3 LYS A 66 169.454 0.291 13.621 1.00 0.00 H new ATOM 0 HD2 LYS A 66 171.893 -0.106 13.718 1.00 0.00 H new ATOM 0 HD3 LYS A 66 172.184 1.319 12.739 1.00 0.00 H new ATOM 0 HE2 LYS A 66 170.623 1.545 15.322 1.00 0.00 H new ATOM 0 HE3 LYS A 66 172.373 1.476 15.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 171.588 3.751 15.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 172.453 3.399 13.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 170.756 3.466 13.844 1.00 0.00 H new ATOM 1049 N HIS A 67 167.831 1.539 9.866 1.00 0.00 N ATOM 1050 CA HIS A 67 166.689 2.454 9.878 1.00 0.00 C ATOM 1051 C HIS A 67 165.486 1.859 9.153 1.00 0.00 C ATOM 1052 O HIS A 67 165.637 1.138 8.167 1.00 0.00 O ATOM 1053 CB HIS A 67 167.074 3.792 9.241 1.00 0.00 C ATOM 1054 CG HIS A 67 166.747 4.976 10.098 1.00 0.00 C ATOM 1055 ND1 HIS A 67 167.509 5.349 11.187 1.00 0.00 N ATOM 1056 CD2 HIS A 67 165.735 5.871 10.026 1.00 0.00 C ATOM 1057 CE1 HIS A 67 166.978 6.423 11.745 1.00 0.00 C ATOM 1058 NE2 HIS A 67 165.901 6.760 11.060 1.00 0.00 N ATOM 0 H HIS A 67 167.650 0.640 9.420 1.00 0.00 H new ATOM 0 HA HIS A 67 166.408 2.618 10.918 1.00 0.00 H new ATOM 0 HB2 HIS A 67 168.143 3.791 9.029 1.00 0.00 H new ATOM 0 HB3 HIS A 67 166.560 3.892 8.285 1.00 0.00 H new ATOM 0 HD1 HIS A 67 168.350 4.871 11.510 1.00 0.00 H new ATOM 0 HD2 HIS A 67 164.943 5.884 9.292 1.00 0.00 H new ATOM 0 HE1 HIS A 67 167.360 6.938 12.614 1.00 0.00 H new ATOM 1067 N GLU A 68 164.291 2.175 9.647 1.00 0.00 N ATOM 1068 CA GLU A 68 163.056 1.679 9.047 1.00 0.00 C ATOM 1069 C GLU A 68 162.962 2.082 7.581 1.00 0.00 C ATOM 1070 O GLU A 68 162.608 1.269 6.725 1.00 0.00 O ATOM 1071 CB GLU A 68 161.843 2.212 9.812 1.00 0.00 C ATOM 1072 CG GLU A 68 160.517 1.654 9.317 1.00 0.00 C ATOM 1073 CD GLU A 68 159.514 1.454 10.436 1.00 0.00 C ATOM 1074 OE1 GLU A 68 159.943 1.299 11.598 1.00 0.00 O ATOM 1075 OE2 GLU A 68 158.298 1.454 10.149 1.00 0.00 O ATOM 0 H GLU A 68 164.152 2.773 10.462 1.00 0.00 H new ATOM 0 HA GLU A 68 163.066 0.591 9.106 1.00 0.00 H new ATOM 0 HB2 GLU A 68 161.957 1.972 10.869 1.00 0.00 H new ATOM 0 HB3 GLU A 68 161.823 3.299 9.732 1.00 0.00 H new ATOM 0 HG2 GLU A 68 160.097 2.332 8.574 1.00 0.00 H new ATOM 0 HG3 GLU A 68 160.692 0.702 8.817 1.00 0.00 H new ATOM 1082 N ASP A 69 163.284 3.337 7.295 1.00 0.00 N ATOM 1083 CA ASP A 69 163.239 3.842 5.929 1.00 0.00 C ATOM 1084 C ASP A 69 164.475 3.400 5.153 1.00 0.00 C ATOM 1085 O ASP A 69 165.578 3.356 5.699 1.00 0.00 O ATOM 1086 CB ASP A 69 163.129 5.367 5.928 1.00 0.00 C ATOM 1087 CG ASP A 69 161.778 5.848 6.421 1.00 0.00 C ATOM 1088 OD1 ASP A 69 161.101 5.085 7.140 1.00 0.00 O ATOM 1089 OD2 ASP A 69 161.398 6.991 6.086 1.00 0.00 O ATOM 0 H ASP A 69 163.579 4.023 7.990 1.00 0.00 H new ATOM 0 HA ASP A 69 162.358 3.429 5.439 1.00 0.00 H new ATOM 0 HB2 ASP A 69 163.913 5.786 6.559 1.00 0.00 H new ATOM 0 HB3 ASP A 69 163.299 5.740 4.918 1.00 0.00 H new ATOM 1094 N MET A 70 164.281 3.066 3.883 1.00 0.00 N ATOM 1095 CA MET A 70 165.380 2.617 3.036 1.00 0.00 C ATOM 1096 C MET A 70 166.371 3.746 2.761 1.00 0.00 C ATOM 1097 O MET A 70 167.534 3.671 3.155 1.00 0.00 O ATOM 1098 CB MET A 70 164.835 2.059 1.717 1.00 0.00 C ATOM 1099 CG MET A 70 165.917 1.627 0.742 1.00 0.00 C ATOM 1100 SD MET A 70 167.063 0.436 1.462 1.00 0.00 S ATOM 1101 CE MET A 70 166.093 -1.067 1.377 1.00 0.00 C ATOM 0 H MET A 70 163.374 3.097 3.417 1.00 0.00 H new ATOM 0 HA MET A 70 165.912 1.828 3.568 1.00 0.00 H new ATOM 0 HB2 MET A 70 164.191 1.206 1.932 1.00 0.00 H new ATOM 0 HB3 MET A 70 164.212 2.817 1.242 1.00 0.00 H new ATOM 0 HG2 MET A 70 165.452 1.190 -0.141 1.00 0.00 H new ATOM 0 HG3 MET A 70 166.472 2.504 0.409 1.00 0.00 H new ATOM 0 HE1 MET A 70 166.186 -1.614 2.315 1.00 0.00 H new ATOM 0 HE2 MET A 70 165.046 -0.815 1.206 1.00 0.00 H new ATOM 0 HE3 MET A 70 166.456 -1.688 0.558 1.00 0.00 H new ATOM 1111 N TYR A 71 165.908 4.788 2.077 1.00 0.00 N ATOM 1112 CA TYR A 71 166.764 5.925 1.745 1.00 0.00 C ATOM 1113 C TYR A 71 167.389 6.533 2.995 1.00 0.00 C ATOM 1114 O TYR A 71 168.552 6.934 2.980 1.00 0.00 O ATOM 1115 CB TYR A 71 165.968 6.979 0.972 1.00 0.00 C ATOM 1116 CG TYR A 71 165.863 6.699 -0.516 1.00 0.00 C ATOM 1117 CD1 TYR A 71 166.380 5.529 -1.070 1.00 0.00 C ATOM 1118 CD2 TYR A 71 165.247 7.608 -1.369 1.00 0.00 C ATOM 1119 CE1 TYR A 71 166.286 5.277 -2.422 1.00 0.00 C ATOM 1120 CE2 TYR A 71 165.148 7.358 -2.726 1.00 0.00 C ATOM 1121 CZ TYR A 71 165.670 6.194 -3.248 1.00 0.00 C ATOM 1122 OH TYR A 71 165.576 5.944 -4.597 1.00 0.00 O ATOM 0 H TYR A 71 164.948 4.870 1.742 1.00 0.00 H new ATOM 0 HA TYR A 71 167.575 5.564 1.113 1.00 0.00 H new ATOM 0 HB2 TYR A 71 164.964 7.043 1.392 1.00 0.00 H new ATOM 0 HB3 TYR A 71 166.436 7.953 1.117 1.00 0.00 H new ATOM 0 HD1 TYR A 71 166.863 4.807 -0.428 1.00 0.00 H new ATOM 0 HD2 TYR A 71 164.840 8.523 -0.966 1.00 0.00 H new ATOM 0 HE1 TYR A 71 166.693 4.365 -2.833 1.00 0.00 H new ATOM 0 HE2 TYR A 71 164.663 8.073 -3.374 1.00 0.00 H new ATOM 0 HH TYR A 71 166.063 5.121 -4.812 1.00 0.00 H new ATOM 1132 N THR A 72 166.628 6.585 4.081 1.00 0.00 N ATOM 1133 CA THR A 72 167.143 7.132 5.331 1.00 0.00 C ATOM 1134 C THR A 72 168.252 6.237 5.868 1.00 0.00 C ATOM 1135 O THR A 72 169.246 6.717 6.412 1.00 0.00 O ATOM 1136 CB THR A 72 166.032 7.267 6.371 1.00 0.00 C ATOM 1137 OG1 THR A 72 164.866 7.832 5.796 1.00 0.00 O ATOM 1138 CG2 THR A 72 166.421 8.130 7.551 1.00 0.00 C ATOM 0 H THR A 72 165.662 6.259 4.123 1.00 0.00 H new ATOM 0 HA THR A 72 167.543 8.126 5.131 1.00 0.00 H new ATOM 0 HB THR A 72 165.846 6.253 6.724 1.00 0.00 H new ATOM 0 HG1 THR A 72 164.227 8.055 6.505 1.00 0.00 H new ATOM 0 HG21 THR A 72 165.588 8.185 8.252 1.00 0.00 H new ATOM 0 HG22 THR A 72 167.287 7.695 8.050 1.00 0.00 H new ATOM 0 HG23 THR A 72 166.669 9.133 7.203 1.00 0.00 H new ATOM 1146 N ALA A 73 168.074 4.930 5.697 1.00 0.00 N ATOM 1147 CA ALA A 73 169.061 3.960 6.148 1.00 0.00 C ATOM 1148 C ALA A 73 170.386 4.181 5.429 1.00 0.00 C ATOM 1149 O ALA A 73 171.459 4.034 6.015 1.00 0.00 O ATOM 1150 CB ALA A 73 168.556 2.544 5.916 1.00 0.00 C ATOM 0 H ALA A 73 167.254 4.520 5.249 1.00 0.00 H new ATOM 0 HA ALA A 73 169.222 4.097 7.217 1.00 0.00 H new ATOM 0 HB1 ALA A 73 169.305 1.830 6.258 1.00 0.00 H new ATOM 0 HB2 ALA A 73 167.630 2.392 6.471 1.00 0.00 H new ATOM 0 HB3 ALA A 73 168.371 2.394 4.852 1.00 0.00 H new ATOM 1156 N ILE A 74 170.299 4.552 4.154 1.00 0.00 N ATOM 1157 CA ILE A 74 171.494 4.813 3.358 1.00 0.00 C ATOM 1158 C ILE A 74 172.176 6.084 3.844 1.00 0.00 C ATOM 1159 O ILE A 74 173.397 6.144 3.949 1.00 0.00 O ATOM 1160 CB ILE A 74 171.210 4.954 1.837 1.00 0.00 C ATOM 1161 CG1 ILE A 74 169.806 4.461 1.457 1.00 0.00 C ATOM 1162 CG2 ILE A 74 172.268 4.206 1.036 1.00 0.00 C ATOM 1163 CD1 ILE A 74 169.632 2.959 1.543 1.00 0.00 C ATOM 0 H ILE A 74 169.419 4.678 3.653 1.00 0.00 H new ATOM 0 HA ILE A 74 172.138 3.944 3.491 1.00 0.00 H new ATOM 0 HB ILE A 74 171.253 6.016 1.595 1.00 0.00 H new ATOM 0 HG12 ILE A 74 169.076 4.938 2.111 1.00 0.00 H new ATOM 0 HG13 ILE A 74 169.582 4.784 0.440 1.00 0.00 H new ATOM 0 HG21 ILE A 74 172.060 4.311 -0.029 1.00 0.00 H new ATOM 0 HG22 ILE A 74 173.252 4.621 1.256 1.00 0.00 H new ATOM 0 HG23 ILE A 74 172.250 3.150 1.307 1.00 0.00 H new ATOM 0 HD11 ILE A 74 168.614 2.694 1.259 1.00 0.00 H new ATOM 0 HD12 ILE A 74 170.336 2.472 0.868 1.00 0.00 H new ATOM 0 HD13 ILE A 74 169.821 2.629 2.564 1.00 0.00 H new ATOM 1175 N ASN A 75 171.377 7.100 4.150 1.00 0.00 N ATOM 1176 CA ASN A 75 171.913 8.364 4.633 1.00 0.00 C ATOM 1177 C ASN A 75 172.673 8.146 5.938 1.00 0.00 C ATOM 1178 O ASN A 75 173.725 8.744 6.170 1.00 0.00 O ATOM 1179 CB ASN A 75 170.790 9.384 4.846 1.00 0.00 C ATOM 1180 CG ASN A 75 169.733 9.355 3.750 1.00 0.00 C ATOM 1181 OD1 ASN A 75 170.113 8.920 2.550 1.00 0.00 O flip ATOM 1182 ND2 ASN A 75 168.582 9.725 3.981 1.00 0.00 N flip ATOM 0 H ASN A 75 170.360 7.072 4.072 1.00 0.00 H new ATOM 0 HA ASN A 75 172.598 8.756 3.881 1.00 0.00 H new ATOM 0 HB2 ASN A 75 170.312 9.192 5.807 1.00 0.00 H new ATOM 0 HB3 ASN A 75 171.222 10.383 4.898 1.00 0.00 H new ATOM 0 HD21 ASN A 75 168.329 10.052 4.913 1.00 0.00 H new ATOM 0 HD22 ASN A 75 167.881 9.705 3.240 1.00 0.00 H new ATOM 1189 N GLU A 76 172.133 7.279 6.785 1.00 0.00 N ATOM 1190 CA GLU A 76 172.758 6.974 8.063 1.00 0.00 C ATOM 1191 C GLU A 76 174.139 6.348 7.867 1.00 0.00 C ATOM 1192 O GLU A 76 175.091 6.679 8.576 1.00 0.00 O ATOM 1193 CB GLU A 76 171.868 6.027 8.870 1.00 0.00 C ATOM 1194 CG GLU A 76 172.429 5.689 10.242 1.00 0.00 C ATOM 1195 CD GLU A 76 172.737 6.924 11.065 1.00 0.00 C ATOM 1196 OE1 GLU A 76 171.899 7.850 11.082 1.00 0.00 O ATOM 1197 OE2 GLU A 76 173.815 6.965 11.694 1.00 0.00 O ATOM 0 H GLU A 76 171.264 6.775 6.609 1.00 0.00 H new ATOM 0 HA GLU A 76 172.881 7.909 8.610 1.00 0.00 H new ATOM 0 HB2 GLU A 76 170.884 6.480 8.990 1.00 0.00 H new ATOM 0 HB3 GLU A 76 171.727 5.105 8.306 1.00 0.00 H new ATOM 0 HG2 GLU A 76 171.714 5.067 10.780 1.00 0.00 H new ATOM 0 HG3 GLU A 76 173.338 5.099 10.124 1.00 0.00 H new ATOM 1204 N LEU A 77 174.235 5.426 6.910 1.00 0.00 N ATOM 1205 CA LEU A 77 175.492 4.735 6.638 1.00 0.00 C ATOM 1206 C LEU A 77 176.544 5.659 6.016 1.00 0.00 C ATOM 1207 O LEU A 77 177.742 5.436 6.189 1.00 0.00 O ATOM 1208 CB LEU A 77 175.247 3.519 5.734 1.00 0.00 C ATOM 1209 CG LEU A 77 175.277 3.792 4.227 1.00 0.00 C ATOM 1210 CD1 LEU A 77 176.698 3.710 3.694 1.00 0.00 C ATOM 1211 CD2 LEU A 77 174.374 2.812 3.493 1.00 0.00 C ATOM 0 H LEU A 77 173.459 5.142 6.312 1.00 0.00 H new ATOM 0 HA LEU A 77 175.888 4.398 7.596 1.00 0.00 H new ATOM 0 HB2 LEU A 77 175.998 2.763 5.962 1.00 0.00 H new ATOM 0 HB3 LEU A 77 174.277 3.091 5.987 1.00 0.00 H new ATOM 0 HG LEU A 77 174.906 4.802 4.053 1.00 0.00 H new ATOM 0 HD11 LEU A 77 176.696 3.907 2.622 1.00 0.00 H new ATOM 0 HD12 LEU A 77 177.319 4.450 4.198 1.00 0.00 H new ATOM 0 HD13 LEU A 77 177.099 2.714 3.879 1.00 0.00 H new ATOM 0 HD21 LEU A 77 174.406 3.019 2.423 1.00 0.00 H new ATOM 0 HD22 LEU A 77 174.717 1.794 3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 77 173.351 2.920 3.853 1.00 0.00 H new ATOM 1223 N ILE A 78 176.107 6.682 5.286 1.00 0.00 N ATOM 1224 CA ILE A 78 177.051 7.601 4.648 1.00 0.00 C ATOM 1225 C ILE A 78 177.751 8.485 5.680 1.00 0.00 C ATOM 1226 O ILE A 78 178.968 8.665 5.624 1.00 0.00 O ATOM 1227 CB ILE A 78 176.381 8.483 3.560 1.00 0.00 C ATOM 1228 CG1 ILE A 78 175.806 9.775 4.153 1.00 0.00 C ATOM 1229 CG2 ILE A 78 175.296 7.700 2.834 1.00 0.00 C ATOM 1230 CD1 ILE A 78 175.049 10.620 3.151 1.00 0.00 C ATOM 0 H ILE A 78 175.123 6.895 5.122 1.00 0.00 H new ATOM 0 HA ILE A 78 177.796 6.977 4.154 1.00 0.00 H new ATOM 0 HB ILE A 78 177.152 8.765 2.843 1.00 0.00 H new ATOM 0 HG12 ILE A 78 175.140 9.521 4.978 1.00 0.00 H new ATOM 0 HG13 ILE A 78 176.620 10.366 4.572 1.00 0.00 H new ATOM 0 HG21 ILE A 78 174.837 8.333 2.075 1.00 0.00 H new ATOM 0 HG22 ILE A 78 175.736 6.824 2.358 1.00 0.00 H new ATOM 0 HG23 ILE A 78 174.537 7.382 3.549 1.00 0.00 H new ATOM 0 HD11 ILE A 78 174.672 11.517 3.643 1.00 0.00 H new ATOM 0 HD12 ILE A 78 175.716 10.905 2.338 1.00 0.00 H new ATOM 0 HD13 ILE A 78 174.213 10.047 2.750 1.00 0.00 H new ATOM 1242 N ASN A 79 176.987 9.032 6.623 1.00 0.00 N ATOM 1243 CA ASN A 79 177.568 9.889 7.654 1.00 0.00 C ATOM 1244 C ASN A 79 178.542 9.101 8.527 1.00 0.00 C ATOM 1245 O ASN A 79 179.645 9.568 8.818 1.00 0.00 O ATOM 1246 CB ASN A 79 176.477 10.524 8.519 1.00 0.00 C ATOM 1247 CG ASN A 79 175.459 9.516 9.013 1.00 0.00 C ATOM 1248 OD1 ASN A 79 174.370 9.400 8.457 1.00 0.00 O ATOM 1249 ND2 ASN A 79 175.809 8.787 10.067 1.00 0.00 N ATOM 0 H ASN A 79 175.978 8.900 6.695 1.00 0.00 H new ATOM 0 HA ASN A 79 178.117 10.687 7.153 1.00 0.00 H new ATOM 0 HB2 ASN A 79 176.939 11.017 9.375 1.00 0.00 H new ATOM 0 HB3 ASN A 79 175.967 11.297 7.944 1.00 0.00 H new ATOM 0 HD21 ASN A 79 175.162 8.096 10.447 1.00 0.00 H new ATOM 0 HD22 ASN A 79 176.725 8.918 10.496 1.00 0.00 H new ATOM 1256 N LYS A 80 178.134 7.903 8.937 1.00 0.00 N ATOM 1257 CA LYS A 80 178.983 7.059 9.772 1.00 0.00 C ATOM 1258 C LYS A 80 180.289 6.731 9.052 1.00 0.00 C ATOM 1259 O LYS A 80 181.365 6.759 9.650 1.00 0.00 O ATOM 1260 CB LYS A 80 178.252 5.767 10.150 1.00 0.00 C ATOM 1261 CG LYS A 80 178.456 5.357 11.600 1.00 0.00 C ATOM 1262 CD LYS A 80 178.045 3.911 11.836 1.00 0.00 C ATOM 1263 CE LYS A 80 178.799 3.303 13.009 1.00 0.00 C ATOM 1264 NZ LYS A 80 178.621 1.825 13.078 1.00 0.00 N ATOM 0 H LYS A 80 177.227 7.497 8.707 1.00 0.00 H new ATOM 0 HA LYS A 80 179.216 7.608 10.684 1.00 0.00 H new ATOM 0 HB2 LYS A 80 177.186 5.894 9.963 1.00 0.00 H new ATOM 0 HB3 LYS A 80 178.595 4.961 9.501 1.00 0.00 H new ATOM 0 HG2 LYS A 80 179.504 5.487 11.872 1.00 0.00 H new ATOM 0 HG3 LYS A 80 177.875 6.012 12.249 1.00 0.00 H new ATOM 0 HD2 LYS A 80 176.973 3.863 12.027 1.00 0.00 H new ATOM 0 HD3 LYS A 80 178.236 3.326 10.936 1.00 0.00 H new ATOM 0 HE2 LYS A 80 179.860 3.537 12.919 1.00 0.00 H new ATOM 0 HE3 LYS A 80 178.450 3.754 13.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 179.150 1.449 13.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 177.611 1.602 13.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 178.977 1.391 12.202 1.00 0.00 H new ATOM 1278 N LEU A 81 180.186 6.430 7.760 1.00 0.00 N ATOM 1279 CA LEU A 81 181.358 6.104 6.955 1.00 0.00 C ATOM 1280 C LEU A 81 182.305 7.298 6.872 1.00 0.00 C ATOM 1281 O LEU A 81 183.522 7.146 6.986 1.00 0.00 O ATOM 1282 CB LEU A 81 180.933 5.673 5.549 1.00 0.00 C ATOM 1283 CG LEU A 81 181.377 4.267 5.137 1.00 0.00 C ATOM 1284 CD1 LEU A 81 181.011 3.998 3.684 1.00 0.00 C ATOM 1285 CD2 LEU A 81 182.873 4.089 5.356 1.00 0.00 C ATOM 0 H LEU A 81 179.303 6.405 7.249 1.00 0.00 H new ATOM 0 HA LEU A 81 181.883 5.278 7.435 1.00 0.00 H new ATOM 0 HB2 LEU A 81 179.846 5.728 5.482 1.00 0.00 H new ATOM 0 HB3 LEU A 81 181.333 6.388 4.830 1.00 0.00 H new ATOM 0 HG LEU A 81 180.854 3.544 5.763 1.00 0.00 H new ATOM 0 HD11 LEU A 81 181.334 2.994 3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 81 179.931 4.079 3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 81 181.506 4.728 3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 81 183.167 3.083 5.057 1.00 0.00 H new ATOM 0 HD22 LEU A 81 183.418 4.819 4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 81 183.107 4.237 6.410 1.00 0.00 H new ATOM 1297 N GLU A 82 181.739 8.488 6.679 1.00 0.00 N ATOM 1298 CA GLU A 82 182.534 9.711 6.586 1.00 0.00 C ATOM 1299 C GLU A 82 183.484 9.826 7.773 1.00 0.00 C ATOM 1300 O GLU A 82 184.692 9.988 7.603 1.00 0.00 O ATOM 1301 CB GLU A 82 181.618 10.938 6.524 1.00 0.00 C ATOM 1302 CG GLU A 82 182.362 12.262 6.543 1.00 0.00 C ATOM 1303 CD GLU A 82 181.493 13.426 6.107 1.00 0.00 C ATOM 1304 OE1 GLU A 82 180.258 13.337 6.270 1.00 0.00 O ATOM 1305 OE2 GLU A 82 182.047 14.425 5.603 1.00 0.00 O ATOM 0 H GLU A 82 180.734 8.631 6.584 1.00 0.00 H new ATOM 0 HA GLU A 82 183.126 9.666 5.672 1.00 0.00 H new ATOM 0 HB2 GLU A 82 181.015 10.884 5.617 1.00 0.00 H new ATOM 0 HB3 GLU A 82 180.928 10.908 7.368 1.00 0.00 H new ATOM 0 HG2 GLU A 82 182.736 12.450 7.549 1.00 0.00 H new ATOM 0 HG3 GLU A 82 183.230 12.196 5.887 1.00 0.00 H new ATOM 1312 N ARG A 83 182.927 9.728 8.977 1.00 0.00 N ATOM 1313 CA ARG A 83 183.721 9.807 10.200 1.00 0.00 C ATOM 1314 C ARG A 83 184.881 8.814 10.146 1.00 0.00 C ATOM 1315 O ARG A 83 186.046 9.190 10.301 1.00 0.00 O ATOM 1316 CB ARG A 83 182.820 9.530 11.412 1.00 0.00 C ATOM 1317 CG ARG A 83 183.564 9.221 12.707 1.00 0.00 C ATOM 1318 CD ARG A 83 182.935 8.042 13.433 1.00 0.00 C ATOM 1319 NE ARG A 83 183.922 7.260 14.176 1.00 0.00 N ATOM 1320 CZ ARG A 83 184.271 7.508 15.436 1.00 0.00 C ATOM 1321 NH1 ARG A 83 183.740 8.531 16.095 1.00 0.00 N ATOM 1322 NH2 ARG A 83 185.162 6.733 16.039 1.00 0.00 N ATOM 0 H ARG A 83 181.928 9.594 9.132 1.00 0.00 H new ATOM 0 HA ARG A 83 184.141 10.808 10.295 1.00 0.00 H new ATOM 0 HB2 ARG A 83 182.179 10.396 11.576 1.00 0.00 H new ATOM 0 HB3 ARG A 83 182.166 8.690 11.176 1.00 0.00 H new ATOM 0 HG2 ARG A 83 184.608 9.001 12.486 1.00 0.00 H new ATOM 0 HG3 ARG A 83 183.553 10.098 13.354 1.00 0.00 H new ATOM 0 HD2 ARG A 83 182.171 8.406 14.120 1.00 0.00 H new ATOM 0 HD3 ARG A 83 182.433 7.398 12.710 1.00 0.00 H new ATOM 0 HE ARG A 83 184.370 6.477 13.700 1.00 0.00 H new ATOM 0 HH11 ARG A 83 183.058 9.135 15.636 1.00 0.00 H new ATOM 0 HH12 ARG A 83 184.014 8.713 17.061 1.00 0.00 H new ATOM 0 HH21 ARG A 83 185.578 5.949 15.537 1.00 0.00 H new ATOM 0 HH22 ARG A 83 185.431 6.921 17.005 1.00 0.00 H new ATOM 1336 N GLN A 84 184.552 7.548 9.917 1.00 0.00 N ATOM 1337 CA GLN A 84 185.558 6.498 9.834 1.00 0.00 C ATOM 1338 C GLN A 84 186.531 6.768 8.690 1.00 0.00 C ATOM 1339 O GLN A 84 187.714 6.439 8.775 1.00 0.00 O ATOM 1340 CB GLN A 84 184.884 5.140 9.634 1.00 0.00 C ATOM 1341 CG GLN A 84 185.738 3.962 10.076 1.00 0.00 C ATOM 1342 CD GLN A 84 184.941 2.676 10.184 1.00 0.00 C ATOM 1343 OE1 GLN A 84 185.142 1.884 11.105 1.00 0.00 O ATOM 1344 NE2 GLN A 84 184.031 2.461 9.240 1.00 0.00 N ATOM 0 H GLN A 84 183.594 7.224 9.785 1.00 0.00 H new ATOM 0 HA GLN A 84 186.118 6.487 10.769 1.00 0.00 H new ATOM 0 HB2 GLN A 84 183.946 5.125 10.188 1.00 0.00 H new ATOM 0 HB3 GLN A 84 184.634 5.020 8.580 1.00 0.00 H new ATOM 0 HG2 GLN A 84 186.553 3.822 9.366 1.00 0.00 H new ATOM 0 HG3 GLN A 84 186.191 4.187 11.042 1.00 0.00 H new ATOM 0 HE21 GLN A 84 183.898 3.145 8.495 1.00 0.00 H new ATOM 0 HE22 GLN A 84 183.466 1.612 9.260 1.00 0.00 H new ATOM 1353 N LEU A 85 186.022 7.371 7.620 1.00 0.00 N ATOM 1354 CA LEU A 85 186.842 7.687 6.456 1.00 0.00 C ATOM 1355 C LEU A 85 188.021 8.578 6.837 1.00 0.00 C ATOM 1356 O LEU A 85 189.176 8.228 6.602 1.00 0.00 O ATOM 1357 CB LEU A 85 185.992 8.372 5.380 1.00 0.00 C ATOM 1358 CG LEU A 85 185.682 7.510 4.154 1.00 0.00 C ATOM 1359 CD1 LEU A 85 184.813 6.324 4.543 1.00 0.00 C ATOM 1360 CD2 LEU A 85 185.005 8.343 3.074 1.00 0.00 C ATOM 0 H LEU A 85 185.045 7.651 7.535 1.00 0.00 H new ATOM 0 HA LEU A 85 187.237 6.752 6.059 1.00 0.00 H new ATOM 0 HB2 LEU A 85 185.051 8.690 5.829 1.00 0.00 H new ATOM 0 HB3 LEU A 85 186.508 9.274 5.050 1.00 0.00 H new ATOM 0 HG LEU A 85 186.621 7.129 3.753 1.00 0.00 H new ATOM 0 HD11 LEU A 85 184.602 5.722 3.659 1.00 0.00 H new ATOM 0 HD12 LEU A 85 185.337 5.715 5.280 1.00 0.00 H new ATOM 0 HD13 LEU A 85 183.876 6.683 4.969 1.00 0.00 H new ATOM 0 HD21 LEU A 85 184.792 7.714 2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 85 184.073 8.754 3.462 1.00 0.00 H new ATOM 0 HD23 LEU A 85 185.665 9.158 2.776 1.00 0.00 H new ATOM 1372 N ASN A 86 187.721 9.732 7.427 1.00 0.00 N ATOM 1373 CA ASN A 86 188.758 10.673 7.840 1.00 0.00 C ATOM 1374 C ASN A 86 189.790 9.994 8.735 1.00 0.00 C ATOM 1375 O ASN A 86 190.990 10.024 8.453 1.00 0.00 O ATOM 1376 CB ASN A 86 188.136 11.861 8.576 1.00 0.00 C ATOM 1377 CG ASN A 86 187.135 12.612 7.719 1.00 0.00 C ATOM 1378 OD1 ASN A 86 187.506 13.479 6.927 1.00 0.00 O ATOM 1379 ND2 ASN A 86 185.858 12.284 7.877 1.00 0.00 N ATOM 0 H ASN A 86 186.769 10.038 7.630 1.00 0.00 H new ATOM 0 HA ASN A 86 189.262 11.031 6.942 1.00 0.00 H new ATOM 0 HB2 ASN A 86 187.642 11.506 9.481 1.00 0.00 H new ATOM 0 HB3 ASN A 86 188.925 12.544 8.891 1.00 0.00 H new ATOM 0 HD21 ASN A 86 185.139 12.757 7.330 1.00 0.00 H new ATOM 0 HD22 ASN A 86 185.597 11.559 8.545 1.00 0.00 H new ATOM 1386 N LYS A 87 189.316 9.379 9.815 1.00 0.00 N ATOM 1387 CA LYS A 87 190.201 8.692 10.751 1.00 0.00 C ATOM 1388 C LYS A 87 191.116 7.710 10.023 1.00 0.00 C ATOM 1389 O LYS A 87 192.332 7.724 10.210 1.00 0.00 O ATOM 1390 CB LYS A 87 189.381 7.952 11.809 1.00 0.00 C ATOM 1391 CG LYS A 87 190.188 7.556 13.035 1.00 0.00 C ATOM 1392 CD LYS A 87 191.167 6.436 12.719 1.00 0.00 C ATOM 1393 CE LYS A 87 191.180 5.383 13.816 1.00 0.00 C ATOM 1394 NZ LYS A 87 192.254 5.636 14.816 1.00 0.00 N ATOM 0 H LYS A 87 188.327 9.342 10.063 1.00 0.00 H new ATOM 0 HA LYS A 87 190.822 9.443 11.239 1.00 0.00 H new ATOM 0 HB2 LYS A 87 188.549 8.584 12.120 1.00 0.00 H new ATOM 0 HB3 LYS A 87 188.951 7.056 11.362 1.00 0.00 H new ATOM 0 HG2 LYS A 87 190.733 8.423 13.409 1.00 0.00 H new ATOM 0 HG3 LYS A 87 189.513 7.237 13.829 1.00 0.00 H new ATOM 0 HD2 LYS A 87 190.897 5.972 11.770 1.00 0.00 H new ATOM 0 HD3 LYS A 87 192.168 6.850 12.598 1.00 0.00 H new ATOM 0 HE2 LYS A 87 190.213 5.370 14.318 1.00 0.00 H new ATOM 0 HE3 LYS A 87 191.322 4.398 13.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 192.229 4.896 15.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 193.180 5.624 14.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 192.104 6.565 15.259 1.00 0.00 H new ATOM 1408 N LEU A 88 190.522 6.860 9.194 1.00 0.00 N ATOM 1409 CA LEU A 88 191.282 5.870 8.438 1.00 0.00 C ATOM 1410 C LEU A 88 192.057 6.518 7.290 1.00 0.00 C ATOM 1411 O LEU A 88 192.894 5.874 6.656 1.00 0.00 O ATOM 1412 CB LEU A 88 190.345 4.789 7.892 1.00 0.00 C ATOM 1413 CG LEU A 88 190.637 3.370 8.382 1.00 0.00 C ATOM 1414 CD1 LEU A 88 189.685 2.376 7.736 1.00 0.00 C ATOM 1415 CD2 LEU A 88 192.081 2.995 8.092 1.00 0.00 C ATOM 0 H LEU A 88 189.516 6.836 9.028 1.00 0.00 H new ATOM 0 HA LEU A 88 192.003 5.414 9.116 1.00 0.00 H new ATOM 0 HB2 LEU A 88 189.321 5.047 8.163 1.00 0.00 H new ATOM 0 HB3 LEU A 88 190.399 4.799 6.803 1.00 0.00 H new ATOM 0 HG LEU A 88 190.484 3.339 9.461 1.00 0.00 H new ATOM 0 HD11 LEU A 88 189.908 1.372 8.097 1.00 0.00 H new ATOM 0 HD12 LEU A 88 188.658 2.635 7.994 1.00 0.00 H new ATOM 0 HD13 LEU A 88 189.806 2.408 6.653 1.00 0.00 H new ATOM 0 HD21 LEU A 88 192.272 1.982 8.447 1.00 0.00 H new ATOM 0 HD22 LEU A 88 192.261 3.043 7.018 1.00 0.00 H new ATOM 0 HD23 LEU A 88 192.747 3.690 8.603 1.00 0.00 H new ATOM 1427 N GLN A 89 191.775 7.790 7.023 1.00 0.00 N ATOM 1428 CA GLN A 89 192.449 8.512 5.949 1.00 0.00 C ATOM 1429 C GLN A 89 193.795 9.059 6.415 1.00 0.00 C ATOM 1430 O GLN A 89 194.707 9.253 5.612 1.00 0.00 O ATOM 1431 CB GLN A 89 191.566 9.657 5.441 1.00 0.00 C ATOM 1432 CG GLN A 89 191.056 9.448 4.025 1.00 0.00 C ATOM 1433 CD GLN A 89 190.736 10.753 3.324 1.00 0.00 C ATOM 1434 OE1 GLN A 89 190.898 11.832 3.892 1.00 0.00 O ATOM 1435 NE2 GLN A 89 190.276 10.660 2.081 1.00 0.00 N ATOM 0 H GLN A 89 191.086 8.341 7.535 1.00 0.00 H new ATOM 0 HA GLN A 89 192.628 7.811 5.134 1.00 0.00 H new ATOM 0 HB2 GLN A 89 190.715 9.773 6.112 1.00 0.00 H new ATOM 0 HB3 GLN A 89 192.133 10.587 5.481 1.00 0.00 H new ATOM 0 HG2 GLN A 89 191.805 8.904 3.449 1.00 0.00 H new ATOM 0 HG3 GLN A 89 190.162 8.826 4.053 1.00 0.00 H new ATOM 0 HE21 GLN A 89 190.157 9.744 1.648 1.00 0.00 H new ATOM 0 HE22 GLN A 89 190.042 11.505 1.559 1.00 0.00 H new ATOM 1444 N HIS A 90 193.909 9.312 7.716 1.00 0.00 N ATOM 1445 CA HIS A 90 195.143 9.843 8.288 1.00 0.00 C ATOM 1446 C HIS A 90 196.274 8.813 8.227 1.00 0.00 C ATOM 1447 O HIS A 90 196.767 8.358 9.259 1.00 0.00 O ATOM 1448 CB HIS A 90 194.908 10.279 9.738 1.00 0.00 C ATOM 1449 CG HIS A 90 196.146 10.747 10.438 1.00 0.00 C ATOM 1450 ND1 HIS A 90 197.321 11.038 9.777 1.00 0.00 N ATOM 1451 CD2 HIS A 90 196.390 10.972 11.751 1.00 0.00 C ATOM 1452 CE1 HIS A 90 198.233 11.420 10.653 1.00 0.00 C ATOM 1453 NE2 HIS A 90 197.693 11.389 11.858 1.00 0.00 N ATOM 0 H HIS A 90 193.162 9.158 8.394 1.00 0.00 H new ATOM 0 HA HIS A 90 195.442 10.708 7.696 1.00 0.00 H new ATOM 0 HB2 HIS A 90 194.170 11.081 9.751 1.00 0.00 H new ATOM 0 HB3 HIS A 90 194.482 9.444 10.294 1.00 0.00 H new ATOM 0 HD2 HIS A 90 195.689 10.847 12.563 1.00 0.00 H new ATOM 0 HE1 HIS A 90 199.248 11.709 10.423 1.00 0.00 H new ATOM 0 HE2 HIS A 90 198.167 11.635 12.727 1.00 0.00 H new ATOM 1462 N LYS A 91 196.682 8.456 7.011 1.00 0.00 N ATOM 1463 CA LYS A 91 197.758 7.488 6.812 1.00 0.00 C ATOM 1464 C LYS A 91 197.946 7.187 5.326 1.00 0.00 C ATOM 1465 O LYS A 91 197.855 6.036 4.896 1.00 0.00 O ATOM 1466 CB LYS A 91 197.474 6.191 7.579 1.00 0.00 C ATOM 1467 CG LYS A 91 198.693 5.632 8.297 1.00 0.00 C ATOM 1468 CD LYS A 91 198.509 5.636 9.809 1.00 0.00 C ATOM 1469 CE LYS A 91 199.330 6.732 10.469 1.00 0.00 C ATOM 1470 NZ LYS A 91 199.524 6.480 11.923 1.00 0.00 N ATOM 0 H LYS A 91 196.283 8.823 6.147 1.00 0.00 H new ATOM 0 HA LYS A 91 198.678 7.926 7.199 1.00 0.00 H new ATOM 0 HB2 LYS A 91 196.685 6.375 8.308 1.00 0.00 H new ATOM 0 HB3 LYS A 91 197.097 5.442 6.883 1.00 0.00 H new ATOM 0 HG2 LYS A 91 198.881 4.614 7.956 1.00 0.00 H new ATOM 0 HG3 LYS A 91 199.571 6.222 8.036 1.00 0.00 H new ATOM 0 HD2 LYS A 91 197.455 5.776 10.048 1.00 0.00 H new ATOM 0 HD3 LYS A 91 198.801 4.667 10.214 1.00 0.00 H new ATOM 0 HE2 LYS A 91 200.302 6.802 9.980 1.00 0.00 H new ATOM 0 HE3 LYS A 91 198.833 7.692 10.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 200.088 7.249 12.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 198.598 6.438 12.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 200.021 5.576 12.055 1.00 0.00 H new ATOM 1484 N GLY A 92 198.206 8.230 4.546 1.00 0.00 N ATOM 1485 CA GLY A 92 198.401 8.057 3.118 1.00 0.00 C ATOM 1486 C GLY A 92 199.865 7.983 2.734 1.00 0.00 C ATOM 1487 O GLY A 92 200.515 9.011 2.538 1.00 0.00 O ATOM 0 H GLY A 92 198.285 9.192 4.876 1.00 0.00 H new ATOM 0 HA2 GLY A 92 197.898 7.146 2.794 1.00 0.00 H new ATOM 0 HA3 GLY A 92 197.932 8.886 2.588 1.00 0.00 H new ATOM 1491 N GLU A 93 200.386 6.766 2.625 1.00 0.00 N ATOM 1492 CA GLU A 93 201.784 6.562 2.261 1.00 0.00 C ATOM 1493 C GLU A 93 202.087 5.079 2.079 1.00 0.00 C ATOM 1494 O GLU A 93 202.544 4.408 3.006 1.00 0.00 O ATOM 1495 CB GLU A 93 202.704 7.155 3.330 1.00 0.00 C ATOM 1496 CG GLU A 93 204.180 7.075 2.973 1.00 0.00 C ATOM 1497 CD GLU A 93 204.615 8.185 2.038 1.00 0.00 C ATOM 1498 OE1 GLU A 93 204.486 9.368 2.420 1.00 0.00 O ATOM 1499 OE2 GLU A 93 205.087 7.873 0.924 1.00 0.00 O ATOM 0 H GLU A 93 199.862 5.906 2.783 1.00 0.00 H new ATOM 0 HA GLU A 93 201.965 7.071 1.314 1.00 0.00 H new ATOM 0 HB2 GLU A 93 202.434 8.198 3.492 1.00 0.00 H new ATOM 0 HB3 GLU A 93 202.537 6.632 4.272 1.00 0.00 H new ATOM 0 HG2 GLU A 93 204.774 7.121 3.886 1.00 0.00 H new ATOM 0 HG3 GLU A 93 204.385 6.111 2.507 1.00 0.00 H new ATOM 1506 N ALA A 94 201.833 4.573 0.877 1.00 0.00 N ATOM 1507 CA ALA A 94 202.079 3.169 0.570 1.00 0.00 C ATOM 1508 C ALA A 94 202.559 3.003 -0.868 1.00 0.00 C ATOM 1509 O ALA A 94 203.726 2.692 -1.112 1.00 0.00 O ATOM 1510 CB ALA A 94 200.822 2.348 0.812 1.00 0.00 C ATOM 0 H ALA A 94 201.457 5.115 0.099 1.00 0.00 H new ATOM 0 HA ALA A 94 202.865 2.806 1.232 1.00 0.00 H new ATOM 0 HB1 ALA A 94 201.020 1.302 0.579 1.00 0.00 H new ATOM 0 HB2 ALA A 94 200.525 2.437 1.857 1.00 0.00 H new ATOM 0 HB3 ALA A 94 200.019 2.716 0.174 1.00 0.00 H new ATOM 1516 N ARG A 95 201.652 3.213 -1.815 1.00 0.00 N ATOM 1517 CA ARG A 95 201.980 3.087 -3.230 1.00 0.00 C ATOM 1518 C ARG A 95 200.783 3.450 -4.099 1.00 0.00 C ATOM 1519 O ARG A 95 199.679 2.941 -3.897 1.00 0.00 O ATOM 1520 CB ARG A 95 202.439 1.662 -3.545 1.00 0.00 C ATOM 1521 CG ARG A 95 201.481 0.590 -3.047 1.00 0.00 C ATOM 1522 CD ARG A 95 201.056 -0.346 -4.168 1.00 0.00 C ATOM 1523 NE ARG A 95 199.690 -0.832 -3.987 1.00 0.00 N ATOM 1524 CZ ARG A 95 199.355 -1.812 -3.151 1.00 0.00 C ATOM 1525 NH1 ARG A 95 200.285 -2.411 -2.415 1.00 0.00 N ATOM 1526 NH2 ARG A 95 198.090 -2.193 -3.049 1.00 0.00 N ATOM 0 H ARG A 95 200.683 3.471 -1.628 1.00 0.00 H new ATOM 0 HA ARG A 95 202.792 3.780 -3.452 1.00 0.00 H new ATOM 0 HB2 ARG A 95 202.559 1.558 -4.623 1.00 0.00 H new ATOM 0 HB3 ARG A 95 203.419 1.498 -3.098 1.00 0.00 H new ATOM 0 HG2 ARG A 95 201.958 0.015 -2.253 1.00 0.00 H new ATOM 0 HG3 ARG A 95 200.600 1.062 -2.613 1.00 0.00 H new ATOM 0 HD2 ARG A 95 201.132 0.174 -5.123 1.00 0.00 H new ATOM 0 HD3 ARG A 95 201.740 -1.194 -4.211 1.00 0.00 H new ATOM 0 HE ARG A 95 198.949 -0.394 -4.534 1.00 0.00 H new ATOM 0 HH11 ARG A 95 201.260 -2.120 -2.489 1.00 0.00 H new ATOM 0 HH12 ARG A 95 200.024 -3.162 -1.776 1.00 0.00 H new ATOM 0 HH21 ARG A 95 197.373 -1.735 -3.611 1.00 0.00 H new ATOM 0 HH22 ARG A 95 197.834 -2.944 -2.408 1.00 0.00 H new ATOM 1540 N ARG A 96 201.004 4.332 -5.067 1.00 0.00 N ATOM 1541 CA ARG A 96 199.941 4.760 -5.970 1.00 0.00 C ATOM 1542 C ARG A 96 199.324 3.563 -6.685 1.00 0.00 C ATOM 1543 O ARG A 96 199.979 2.539 -6.882 1.00 0.00 O ATOM 1544 CB ARG A 96 200.479 5.763 -6.994 1.00 0.00 C ATOM 1545 CG ARG A 96 201.841 5.390 -7.558 1.00 0.00 C ATOM 1546 CD ARG A 96 202.160 6.187 -8.813 1.00 0.00 C ATOM 1547 NE ARG A 96 202.170 7.626 -8.561 1.00 0.00 N ATOM 1548 CZ ARG A 96 203.192 8.276 -8.008 1.00 0.00 C ATOM 1549 NH1 ARG A 96 204.287 7.619 -7.643 1.00 0.00 N ATOM 1550 NH2 ARG A 96 203.120 9.586 -7.819 1.00 0.00 N ATOM 0 H ARG A 96 201.910 4.765 -5.247 1.00 0.00 H new ATOM 0 HA ARG A 96 199.167 5.245 -5.375 1.00 0.00 H new ATOM 0 HB2 ARG A 96 199.767 5.848 -7.815 1.00 0.00 H new ATOM 0 HB3 ARG A 96 200.546 6.745 -6.527 1.00 0.00 H new ATOM 0 HG2 ARG A 96 202.609 5.570 -6.806 1.00 0.00 H new ATOM 0 HG3 ARG A 96 201.862 4.324 -7.787 1.00 0.00 H new ATOM 0 HD2 ARG A 96 203.132 5.880 -9.200 1.00 0.00 H new ATOM 0 HD3 ARG A 96 201.424 5.959 -9.584 1.00 0.00 H new ATOM 0 HE ARG A 96 201.345 8.165 -8.824 1.00 0.00 H new ATOM 0 HH11 ARG A 96 204.348 6.611 -7.786 1.00 0.00 H new ATOM 0 HH12 ARG A 96 205.067 8.123 -7.220 1.00 0.00 H new ATOM 0 HH21 ARG A 96 202.282 10.096 -8.097 1.00 0.00 H new ATOM 0 HH22 ARG A 96 203.903 10.084 -7.395 1.00 0.00 H new ATOM 1564 N ALA A 97 198.059 3.697 -7.072 1.00 0.00 N ATOM 1565 CA ALA A 97 197.350 2.626 -7.762 1.00 0.00 C ATOM 1566 C ALA A 97 198.115 2.164 -8.999 1.00 0.00 C ATOM 1567 O ALA A 97 198.374 2.948 -9.912 1.00 0.00 O ATOM 1568 CB ALA A 97 195.952 3.082 -8.146 1.00 0.00 C ATOM 0 H ALA A 97 197.504 4.539 -6.919 1.00 0.00 H new ATOM 0 HA ALA A 97 197.272 1.780 -7.080 1.00 0.00 H new ATOM 0 HB1 ALA A 97 195.434 2.273 -8.660 1.00 0.00 H new ATOM 0 HB2 ALA A 97 195.398 3.354 -7.247 1.00 0.00 H new ATOM 0 HB3 ALA A 97 196.020 3.947 -8.806 1.00 0.00 H new ATOM 1574 N ALA A 98 198.474 0.884 -9.021 1.00 0.00 N ATOM 1575 CA ALA A 98 199.208 0.314 -10.146 1.00 0.00 C ATOM 1576 C ALA A 98 198.315 -0.607 -10.971 1.00 0.00 C ATOM 1577 O ALA A 98 198.791 -1.568 -11.575 1.00 0.00 O ATOM 1578 CB ALA A 98 200.432 -0.438 -9.649 1.00 0.00 C ATOM 0 H ALA A 98 198.269 0.222 -8.273 1.00 0.00 H new ATOM 0 HA ALA A 98 199.535 1.131 -10.789 1.00 0.00 H new ATOM 0 HB1 ALA A 98 200.971 -0.858 -10.498 1.00 0.00 H new ATOM 0 HB2 ALA A 98 201.085 0.247 -9.108 1.00 0.00 H new ATOM 0 HB3 ALA A 98 200.119 -1.243 -8.984 1.00 0.00 H new ATOM 1584 N THR A 99 197.021 -0.307 -10.991 1.00 0.00 N ATOM 1585 CA THR A 99 196.062 -1.108 -11.742 1.00 0.00 C ATOM 1586 C THR A 99 195.962 -0.627 -13.187 1.00 0.00 C ATOM 1587 O THR A 99 195.382 0.424 -13.462 1.00 0.00 O ATOM 1588 CB THR A 99 194.686 -1.048 -11.077 1.00 0.00 C ATOM 1589 OG1 THR A 99 194.814 -0.989 -9.668 1.00 0.00 O ATOM 1590 CG2 THR A 99 193.809 -2.236 -11.407 1.00 0.00 C ATOM 0 H THR A 99 196.612 0.485 -10.496 1.00 0.00 H new ATOM 0 HA THR A 99 196.413 -2.140 -11.746 1.00 0.00 H new ATOM 0 HB THR A 99 194.214 -0.148 -11.470 1.00 0.00 H new ATOM 0 HG1 THR A 99 193.924 -0.949 -9.260 1.00 0.00 H new ATOM 0 HG21 THR A 99 192.848 -2.130 -10.903 1.00 0.00 H new ATOM 0 HG22 THR A 99 193.651 -2.283 -12.484 1.00 0.00 H new ATOM 0 HG23 THR A 99 194.296 -3.152 -11.071 1.00 0.00 H new ATOM 1598 N SER A 100 196.531 -1.401 -14.103 1.00 0.00 N ATOM 1599 CA SER A 100 196.506 -1.054 -15.519 1.00 0.00 C ATOM 1600 C SER A 100 195.072 -0.948 -16.029 1.00 0.00 C ATOM 1601 O SER A 100 194.342 -1.938 -16.069 1.00 0.00 O ATOM 1602 CB SER A 100 197.271 -2.098 -16.335 1.00 0.00 C ATOM 1603 OG SER A 100 197.177 -1.829 -17.724 1.00 0.00 O ATOM 0 H SER A 100 197.015 -2.273 -13.891 1.00 0.00 H new ATOM 0 HA SER A 100 196.988 -0.084 -15.637 1.00 0.00 H new ATOM 0 HB2 SER A 100 198.318 -2.104 -16.033 1.00 0.00 H new ATOM 0 HB3 SER A 100 196.873 -3.091 -16.126 1.00 0.00 H new ATOM 0 HG SER A 100 197.675 -2.509 -18.223 1.00 0.00 H new ATOM 1609 N VAL A 101 194.675 0.258 -16.420 1.00 0.00 N ATOM 1610 CA VAL A 101 193.329 0.491 -16.928 1.00 0.00 C ATOM 1611 C VAL A 101 193.214 0.055 -18.386 1.00 0.00 C ATOM 1612 O VAL A 101 192.658 -1.004 -18.683 1.00 0.00 O ATOM 1613 CB VAL A 101 192.926 1.974 -16.801 1.00 0.00 C ATOM 1614 CG1 VAL A 101 191.476 2.177 -17.214 1.00 0.00 C ATOM 1615 CG2 VAL A 101 193.153 2.465 -15.379 1.00 0.00 C ATOM 0 H VAL A 101 195.266 1.089 -16.395 1.00 0.00 H new ATOM 0 HA VAL A 101 192.649 -0.107 -16.321 1.00 0.00 H new ATOM 0 HB VAL A 101 193.554 2.559 -17.473 1.00 0.00 H new ATOM 0 HG11 VAL A 101 191.214 3.231 -17.116 1.00 0.00 H new ATOM 0 HG12 VAL A 101 191.346 1.865 -18.250 1.00 0.00 H new ATOM 0 HG13 VAL A 101 190.828 1.581 -16.572 1.00 0.00 H new ATOM 0 HG21 VAL A 101 192.864 3.513 -15.306 1.00 0.00 H new ATOM 0 HG22 VAL A 101 192.551 1.873 -14.689 1.00 0.00 H new ATOM 0 HG23 VAL A 101 194.207 2.360 -15.122 1.00 0.00 H new ATOM 1625 N LYS A 102 193.740 0.872 -19.295 1.00 0.00 N ATOM 1626 CA LYS A 102 193.691 0.559 -20.718 1.00 0.00 C ATOM 1627 C LYS A 102 194.946 -0.200 -21.150 1.00 0.00 C ATOM 1628 O LYS A 102 194.953 -1.431 -21.184 1.00 0.00 O ATOM 1629 CB LYS A 102 193.536 1.842 -21.539 1.00 0.00 C ATOM 1630 CG LYS A 102 192.109 2.362 -21.591 1.00 0.00 C ATOM 1631 CD LYS A 102 191.299 1.659 -22.668 1.00 0.00 C ATOM 1632 CE LYS A 102 191.673 2.151 -24.058 1.00 0.00 C ATOM 1633 NZ LYS A 102 191.174 3.529 -24.313 1.00 0.00 N ATOM 0 H LYS A 102 194.203 1.753 -19.071 1.00 0.00 H new ATOM 0 HA LYS A 102 192.826 -0.080 -20.899 1.00 0.00 H new ATOM 0 HB2 LYS A 102 194.180 2.614 -21.117 1.00 0.00 H new ATOM 0 HB3 LYS A 102 193.884 1.657 -22.555 1.00 0.00 H new ATOM 0 HG2 LYS A 102 191.632 2.216 -20.622 1.00 0.00 H new ATOM 0 HG3 LYS A 102 192.118 3.435 -21.783 1.00 0.00 H new ATOM 0 HD2 LYS A 102 191.464 0.583 -22.605 1.00 0.00 H new ATOM 0 HD3 LYS A 102 190.236 1.829 -22.495 1.00 0.00 H new ATOM 0 HE2 LYS A 102 192.757 2.131 -24.170 1.00 0.00 H new ATOM 0 HE3 LYS A 102 191.263 1.472 -24.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 191.252 3.744 -25.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 190.179 3.598 -24.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 191.742 4.210 -23.770 1.00 0.00 H new ATOM 1647 N ASP A 103 196.007 0.540 -21.473 1.00 0.00 N ATOM 1648 CA ASP A 103 197.272 -0.060 -21.896 1.00 0.00 C ATOM 1649 C ASP A 103 197.046 -1.206 -22.881 1.00 0.00 C ATOM 1650 O ASP A 103 197.236 -2.374 -22.543 1.00 0.00 O ATOM 1651 CB ASP A 103 198.053 -0.562 -20.680 1.00 0.00 C ATOM 1652 CG ASP A 103 199.444 -1.042 -21.044 1.00 0.00 C ATOM 1653 OD1 ASP A 103 200.163 -0.303 -21.747 1.00 0.00 O ATOM 1654 OD2 ASP A 103 199.814 -2.159 -20.624 1.00 0.00 O ATOM 0 H ASP A 103 196.015 1.560 -21.449 1.00 0.00 H new ATOM 0 HA ASP A 103 197.852 0.711 -22.403 1.00 0.00 H new ATOM 0 HB2 ASP A 103 198.129 0.239 -19.945 1.00 0.00 H new ATOM 0 HB3 ASP A 103 197.502 -1.376 -20.209 1.00 0.00 H new ATOM 1659 N ALA A 104 196.638 -0.864 -24.099 1.00 0.00 N ATOM 1660 CA ALA A 104 196.386 -1.865 -25.128 1.00 0.00 C ATOM 1661 C ALA A 104 197.678 -2.554 -25.551 1.00 0.00 C ATOM 1662 O ALA A 104 198.493 -1.978 -26.272 1.00 0.00 O ATOM 1663 CB ALA A 104 195.708 -1.225 -26.330 1.00 0.00 C ATOM 0 H ALA A 104 196.475 0.098 -24.397 1.00 0.00 H new ATOM 0 HA ALA A 104 195.722 -2.622 -24.710 1.00 0.00 H new ATOM 0 HB1 ALA A 104 195.525 -1.983 -27.091 1.00 0.00 H new ATOM 0 HB2 ALA A 104 194.760 -0.785 -26.021 1.00 0.00 H new ATOM 0 HB3 ALA A 104 196.352 -0.447 -26.740 1.00 0.00 H new ATOM 1669 N ASN A 105 197.860 -3.791 -25.100 1.00 0.00 N ATOM 1670 CA ASN A 105 199.053 -4.560 -25.434 1.00 0.00 C ATOM 1671 C ASN A 105 199.175 -4.749 -26.943 1.00 0.00 C ATOM 1672 O ASN A 105 200.276 -4.912 -27.470 1.00 0.00 O ATOM 1673 CB ASN A 105 199.022 -5.922 -24.737 1.00 0.00 C ATOM 1674 CG ASN A 105 200.411 -6.463 -24.460 1.00 0.00 C ATOM 1675 OD1 ASN A 105 201.052 -6.085 -23.478 1.00 0.00 O ATOM 1676 ND2 ASN A 105 200.884 -7.354 -25.324 1.00 0.00 N ATOM 0 H ASN A 105 197.196 -4.282 -24.502 1.00 0.00 H new ATOM 0 HA ASN A 105 199.922 -4.002 -25.085 1.00 0.00 H new ATOM 0 HB2 ASN A 105 198.476 -5.834 -23.798 1.00 0.00 H new ATOM 0 HB3 ASN A 105 198.476 -6.632 -25.358 1.00 0.00 H new ATOM 0 HD21 ASN A 105 201.813 -7.754 -25.188 1.00 0.00 H new ATOM 0 HD22 ASN A 105 200.319 -7.639 -26.124 1.00 0.00 H new ATOM 1683 N PHE A 106 198.039 -4.725 -27.633 1.00 0.00 N ATOM 1684 CA PHE A 106 198.021 -4.892 -29.081 1.00 0.00 C ATOM 1685 C PHE A 106 198.768 -3.754 -29.769 1.00 0.00 C ATOM 1686 O PHE A 106 198.361 -2.595 -29.692 1.00 0.00 O ATOM 1687 CB PHE A 106 196.580 -4.954 -29.591 1.00 0.00 C ATOM 1688 CG PHE A 106 195.923 -6.290 -29.388 1.00 0.00 C ATOM 1689 CD1 PHE A 106 195.977 -6.923 -28.156 1.00 0.00 C ATOM 1690 CD2 PHE A 106 195.252 -6.911 -30.429 1.00 0.00 C ATOM 1691 CE1 PHE A 106 195.373 -8.151 -27.967 1.00 0.00 C ATOM 1692 CE2 PHE A 106 194.647 -8.140 -30.246 1.00 0.00 C ATOM 1693 CZ PHE A 106 194.707 -8.760 -29.013 1.00 0.00 C ATOM 0 H PHE A 106 197.119 -4.592 -27.212 1.00 0.00 H new ATOM 0 HA PHE A 106 198.524 -5.829 -29.320 1.00 0.00 H new ATOM 0 HB2 PHE A 106 195.992 -4.189 -29.084 1.00 0.00 H new ATOM 0 HB3 PHE A 106 196.570 -4.712 -30.654 1.00 0.00 H new ATOM 0 HD1 PHE A 106 196.497 -6.451 -27.335 1.00 0.00 H new ATOM 0 HD2 PHE A 106 195.201 -6.429 -31.394 1.00 0.00 H new ATOM 0 HE1 PHE A 106 195.421 -8.634 -27.002 1.00 0.00 H new ATOM 0 HE2 PHE A 106 194.128 -8.615 -31.066 1.00 0.00 H new ATOM 0 HZ PHE A 106 194.234 -9.720 -28.867 1.00 0.00 H new ATOM 1703 N VAL A 107 199.864 -4.092 -30.441 1.00 0.00 N ATOM 1704 CA VAL A 107 200.668 -3.096 -31.141 1.00 0.00 C ATOM 1705 C VAL A 107 200.214 -2.947 -32.589 1.00 0.00 C ATOM 1706 O VAL A 107 200.839 -3.479 -33.506 1.00 0.00 O ATOM 1707 CB VAL A 107 202.167 -3.462 -31.120 1.00 0.00 C ATOM 1708 CG1 VAL A 107 203.013 -2.266 -31.524 1.00 0.00 C ATOM 1709 CG2 VAL A 107 202.577 -3.975 -29.747 1.00 0.00 C ATOM 0 H VAL A 107 200.215 -5.047 -30.516 1.00 0.00 H new ATOM 0 HA VAL A 107 200.527 -2.151 -30.617 1.00 0.00 H new ATOM 0 HB VAL A 107 202.336 -4.260 -31.843 1.00 0.00 H new ATOM 0 HG11 VAL A 107 204.067 -2.542 -31.504 1.00 0.00 H new ATOM 0 HG12 VAL A 107 202.740 -1.951 -32.531 1.00 0.00 H new ATOM 0 HG13 VAL A 107 202.839 -1.446 -30.828 1.00 0.00 H new ATOM 0 HG21 VAL A 107 203.637 -4.227 -29.755 1.00 0.00 H new ATOM 0 HG22 VAL A 107 202.393 -3.203 -29.000 1.00 0.00 H new ATOM 0 HG23 VAL A 107 201.995 -4.863 -29.502 1.00 0.00 H new ATOM 1719 N GLU A 108 199.116 -2.221 -32.788 1.00 0.00 N ATOM 1720 CA GLU A 108 198.569 -2.000 -34.117 1.00 0.00 C ATOM 1721 C GLU A 108 197.936 -3.269 -34.659 1.00 0.00 C ATOM 1722 O GLU A 108 198.085 -4.351 -34.092 1.00 0.00 O ATOM 1723 CB GLU A 108 199.649 -1.499 -35.079 1.00 0.00 C ATOM 1724 CG GLU A 108 199.356 -0.125 -35.659 1.00 0.00 C ATOM 1725 CD GLU A 108 199.047 0.907 -34.593 1.00 0.00 C ATOM 1726 OE1 GLU A 108 199.985 1.329 -33.885 1.00 0.00 O ATOM 1727 OE2 GLU A 108 197.865 1.292 -34.465 1.00 0.00 O ATOM 0 H GLU A 108 198.588 -1.775 -32.038 1.00 0.00 H new ATOM 0 HA GLU A 108 197.798 -1.234 -34.034 1.00 0.00 H new ATOM 0 HB2 GLU A 108 200.604 -1.467 -34.555 1.00 0.00 H new ATOM 0 HB3 GLU A 108 199.757 -2.213 -35.895 1.00 0.00 H new ATOM 0 HG2 GLU A 108 200.213 0.208 -36.244 1.00 0.00 H new ATOM 0 HG3 GLU A 108 198.512 -0.197 -36.344 1.00 0.00 H new ATOM 1734 N GLU A 109 197.231 -3.118 -35.763 1.00 0.00 N ATOM 1735 CA GLU A 109 196.558 -4.240 -36.410 1.00 0.00 C ATOM 1736 C GLU A 109 197.451 -4.885 -37.461 1.00 0.00 C ATOM 1737 O GLU A 109 197.289 -6.058 -37.795 1.00 0.00 O ATOM 1738 CB GLU A 109 195.244 -3.782 -37.049 1.00 0.00 C ATOM 1739 CG GLU A 109 194.472 -2.775 -36.210 1.00 0.00 C ATOM 1740 CD GLU A 109 193.287 -2.187 -36.949 1.00 0.00 C ATOM 1741 OE1 GLU A 109 193.254 -2.287 -38.194 1.00 0.00 O ATOM 1742 OE2 GLU A 109 192.392 -1.626 -36.284 1.00 0.00 O ATOM 0 H GLU A 109 197.106 -2.224 -36.238 1.00 0.00 H new ATOM 0 HA GLU A 109 196.339 -4.983 -35.643 1.00 0.00 H new ATOM 0 HB2 GLU A 109 195.458 -3.341 -38.023 1.00 0.00 H new ATOM 0 HB3 GLU A 109 194.613 -4.653 -37.225 1.00 0.00 H new ATOM 0 HG2 GLU A 109 194.123 -3.259 -35.298 1.00 0.00 H new ATOM 0 HG3 GLU A 109 195.142 -1.970 -35.907 1.00 0.00 H new ATOM 1749 N VAL A 110 198.392 -4.108 -37.974 1.00 0.00 N ATOM 1750 CA VAL A 110 199.327 -4.587 -38.989 1.00 0.00 C ATOM 1751 C VAL A 110 198.600 -5.286 -40.135 1.00 0.00 C ATOM 1752 O VAL A 110 198.230 -6.455 -40.028 1.00 0.00 O ATOM 1753 CB VAL A 110 200.362 -5.555 -38.388 1.00 0.00 C ATOM 1754 CG1 VAL A 110 201.463 -5.855 -39.395 1.00 0.00 C ATOM 1755 CG2 VAL A 110 200.946 -4.984 -37.104 1.00 0.00 C ATOM 0 H VAL A 110 198.532 -3.134 -37.704 1.00 0.00 H new ATOM 0 HA VAL A 110 199.841 -3.708 -39.377 1.00 0.00 H new ATOM 0 HB VAL A 110 199.858 -6.491 -38.146 1.00 0.00 H new ATOM 0 HG11 VAL A 110 202.185 -6.541 -38.951 1.00 0.00 H new ATOM 0 HG12 VAL A 110 201.028 -6.311 -40.284 1.00 0.00 H new ATOM 0 HG13 VAL A 110 201.966 -4.928 -39.671 1.00 0.00 H new ATOM 0 HG21 VAL A 110 201.676 -5.682 -36.694 1.00 0.00 H new ATOM 0 HG22 VAL A 110 201.434 -4.033 -37.318 1.00 0.00 H new ATOM 0 HG23 VAL A 110 200.147 -4.827 -36.379 1.00 0.00 H new ATOM 1765 N GLU A 111 198.403 -4.563 -41.232 1.00 0.00 N ATOM 1766 CA GLU A 111 197.723 -5.115 -42.399 1.00 0.00 C ATOM 1767 C GLU A 111 198.618 -6.096 -43.140 1.00 0.00 C ATOM 1768 O GLU A 111 198.537 -7.309 -42.942 1.00 0.00 O ATOM 1769 CB GLU A 111 197.273 -3.989 -43.335 1.00 0.00 C ATOM 1770 CG GLU A 111 196.003 -3.292 -42.880 1.00 0.00 C ATOM 1771 CD GLU A 111 195.556 -2.207 -43.841 1.00 0.00 C ATOM 1772 OE1 GLU A 111 195.391 -2.510 -45.041 1.00 0.00 O ATOM 1773 OE2 GLU A 111 195.371 -1.056 -43.395 1.00 0.00 O ATOM 0 H GLU A 111 198.704 -3.594 -41.338 1.00 0.00 H new ATOM 0 HA GLU A 111 196.843 -5.657 -42.054 1.00 0.00 H new ATOM 0 HB2 GLU A 111 198.073 -3.253 -43.415 1.00 0.00 H new ATOM 0 HB3 GLU A 111 197.115 -4.398 -44.333 1.00 0.00 H new ATOM 0 HG2 GLU A 111 195.207 -4.029 -42.774 1.00 0.00 H new ATOM 0 HG3 GLU A 111 196.166 -2.855 -41.895 1.00 0.00 H new ATOM 1780 N GLU A 112 199.468 -5.559 -43.993 1.00 0.00 N ATOM 1781 CA GLU A 112 200.393 -6.368 -44.779 1.00 0.00 C ATOM 1782 C GLU A 112 201.832 -5.899 -44.579 1.00 0.00 C ATOM 1783 O GLU A 112 202.614 -5.835 -45.527 1.00 0.00 O ATOM 1784 CB GLU A 112 200.016 -6.308 -46.263 1.00 0.00 C ATOM 1785 CG GLU A 112 199.340 -7.572 -46.769 1.00 0.00 C ATOM 1786 CD GLU A 112 200.190 -8.810 -46.564 1.00 0.00 C ATOM 1787 OE1 GLU A 112 201.365 -8.800 -46.989 1.00 0.00 O ATOM 1788 OE2 GLU A 112 199.682 -9.789 -45.978 1.00 0.00 O ATOM 0 H GLU A 112 199.541 -4.556 -44.164 1.00 0.00 H new ATOM 0 HA GLU A 112 200.321 -7.400 -44.437 1.00 0.00 H new ATOM 0 HB2 GLU A 112 199.351 -5.460 -46.427 1.00 0.00 H new ATOM 0 HB3 GLU A 112 200.916 -6.126 -46.851 1.00 0.00 H new ATOM 0 HG2 GLU A 112 198.387 -7.701 -46.255 1.00 0.00 H new ATOM 0 HG3 GLU A 112 199.117 -7.460 -47.830 1.00 0.00 H new ATOM 1795 N GLU A 113 202.174 -5.574 -43.337 1.00 0.00 N ATOM 1796 CA GLU A 113 203.518 -5.112 -43.011 1.00 0.00 C ATOM 1797 C GLU A 113 204.513 -6.268 -43.047 1.00 0.00 C ATOM 1798 O GLU A 113 204.255 -7.248 -43.776 1.00 0.00 O ATOM 1799 CB GLU A 113 203.534 -4.453 -41.631 1.00 0.00 C ATOM 1800 CG GLU A 113 204.465 -3.254 -41.542 1.00 0.00 C ATOM 1801 CD GLU A 113 204.102 -2.160 -42.527 1.00 0.00 C ATOM 1802 OE1 GLU A 113 202.899 -1.998 -42.818 1.00 0.00 O ATOM 1803 OE2 GLU A 113 205.022 -1.465 -43.007 1.00 0.00 O ATOM 1804 OXT GLU A 113 205.544 -6.183 -42.346 1.00 0.00 O ATOM 0 H GLU A 113 201.539 -5.622 -42.540 1.00 0.00 H new ATOM 0 HA GLU A 113 203.814 -4.377 -43.759 1.00 0.00 H new ATOM 0 HB2 GLU A 113 202.522 -4.137 -41.376 1.00 0.00 H new ATOM 0 HB3 GLU A 113 203.834 -5.192 -40.888 1.00 0.00 H new ATOM 0 HG2 GLU A 113 204.436 -2.851 -40.530 1.00 0.00 H new ATOM 0 HG3 GLU A 113 205.489 -3.579 -41.727 1.00 0.00 H new TER 1811 GLU A 113