USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 546 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -2.62 K(o=-2.6,f=-1) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00158 USER MOD Single : A 21 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00562) USER MOD Single : A 25 MET CE :methyl -109:sc= -0.548 (180deg=-2.4!) USER MOD Single : A 26 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0268) USER MOD Single : A 27 TYR OH : rot 165:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.61 K(o=-0.61,f=-2.5!) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= -0.0145 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -3.52! C(o=-3.5!,f=-3.8!) USER MOD Single : A 42 LYS NZ :NH3+ 149:sc= 1.03 (180deg=0.458) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.528 X(o=-0.53,f=-0.6) USER MOD Single : A 47 CYS SG : rot -162:sc= -0.418 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 7:sc= 0.642 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.238 3.712 -9.757 1.00 0.00 N ATOM 2 CA GLY A 1 -19.454 4.365 -8.725 1.00 0.00 C ATOM 3 C GLY A 1 -19.840 5.819 -8.537 1.00 0.00 C ATOM 4 O GLY A 1 -19.169 6.717 -9.046 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.936 2.721 -9.847 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.245 3.745 -9.501 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.095 4.201 -10.664 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.584 3.833 -7.783 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.397 4.303 -8.982 1.00 0.00 H new ATOM 8 N SER A 2 -20.926 6.052 -7.806 1.00 0.00 N ATOM 9 CA SER A 2 -21.404 7.407 -7.558 1.00 0.00 C ATOM 10 C SER A 2 -21.127 7.824 -6.116 1.00 0.00 C ATOM 11 O SER A 2 -22.013 7.773 -5.263 1.00 0.00 O ATOM 12 CB SER A 2 -22.902 7.504 -7.850 1.00 0.00 C ATOM 13 OG SER A 2 -23.137 7.803 -9.215 1.00 0.00 O ATOM 0 H SER A 2 -21.491 5.320 -7.375 1.00 0.00 H new ATOM 0 HA SER A 2 -20.868 8.083 -8.224 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.388 6.563 -7.592 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.349 8.276 -7.223 1.00 0.00 H new ATOM 0 HG SER A 2 -24.102 7.858 -9.376 1.00 0.00 H new ATOM 19 N SER A 3 -19.892 8.238 -5.853 1.00 0.00 N ATOM 20 CA SER A 3 -19.496 8.661 -4.515 1.00 0.00 C ATOM 21 C SER A 3 -19.772 7.562 -3.494 1.00 0.00 C ATOM 22 O SER A 3 -20.263 7.826 -2.397 1.00 0.00 O ATOM 23 CB SER A 3 -20.240 9.938 -4.120 1.00 0.00 C ATOM 24 OG SER A 3 -19.760 11.055 -4.849 1.00 0.00 O ATOM 0 H SER A 3 -19.148 8.290 -6.549 1.00 0.00 H new ATOM 0 HA SER A 3 -18.425 8.862 -4.526 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.307 9.812 -4.303 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.119 10.118 -3.052 1.00 0.00 H new ATOM 0 HG SER A 3 -20.253 11.858 -4.579 1.00 0.00 H new ATOM 30 N GLY A 4 -19.452 6.325 -3.864 1.00 0.00 N ATOM 31 CA GLY A 4 -19.673 5.203 -2.970 1.00 0.00 C ATOM 32 C GLY A 4 -19.632 3.871 -3.692 1.00 0.00 C ATOM 33 O GLY A 4 -20.145 3.743 -4.803 1.00 0.00 O ATOM 0 H GLY A 4 -19.044 6.080 -4.766 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.915 5.212 -2.186 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.640 5.318 -2.480 1.00 0.00 H new ATOM 37 N SER A 5 -19.019 2.875 -3.059 1.00 0.00 N ATOM 38 CA SER A 5 -18.908 1.547 -3.650 1.00 0.00 C ATOM 39 C SER A 5 -20.280 0.891 -3.774 1.00 0.00 C ATOM 40 O SER A 5 -21.120 1.010 -2.882 1.00 0.00 O ATOM 41 CB SER A 5 -17.984 0.666 -2.807 1.00 0.00 C ATOM 42 OG SER A 5 -18.456 0.559 -1.475 1.00 0.00 O ATOM 0 H SER A 5 -18.592 2.963 -2.137 1.00 0.00 H new ATOM 0 HA SER A 5 -18.484 1.655 -4.648 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.916 -0.326 -3.253 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.978 1.085 -2.807 1.00 0.00 H new ATOM 0 HG SER A 5 -17.849 -0.010 -0.958 1.00 0.00 H new ATOM 48 N SER A 6 -20.500 0.199 -4.888 1.00 0.00 N ATOM 49 CA SER A 6 -21.771 -0.473 -5.132 1.00 0.00 C ATOM 50 C SER A 6 -21.748 -1.895 -4.580 1.00 0.00 C ATOM 51 O SER A 6 -22.574 -2.262 -3.745 1.00 0.00 O ATOM 52 CB SER A 6 -22.078 -0.500 -6.630 1.00 0.00 C ATOM 53 OG SER A 6 -22.713 0.697 -7.043 1.00 0.00 O ATOM 0 H SER A 6 -19.815 0.089 -5.635 1.00 0.00 H new ATOM 0 HA SER A 6 -22.554 0.085 -4.618 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.154 -0.637 -7.191 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.718 -1.352 -6.858 1.00 0.00 H new ATOM 0 HG SER A 6 -22.897 0.655 -8.005 1.00 0.00 H new ATOM 59 N GLY A 7 -20.795 -2.692 -5.053 1.00 0.00 N ATOM 60 CA GLY A 7 -20.682 -4.065 -4.596 1.00 0.00 C ATOM 61 C GLY A 7 -19.591 -4.242 -3.559 1.00 0.00 C ATOM 62 O GLY A 7 -19.663 -3.678 -2.467 1.00 0.00 O ATOM 0 H GLY A 7 -20.099 -2.412 -5.744 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.635 -4.384 -4.174 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.478 -4.713 -5.448 1.00 0.00 H new ATOM 66 N LYS A 8 -18.577 -5.031 -3.898 1.00 0.00 N ATOM 67 CA LYS A 8 -17.465 -5.284 -2.989 1.00 0.00 C ATOM 68 C LYS A 8 -16.130 -5.157 -3.714 1.00 0.00 C ATOM 69 O LYS A 8 -16.055 -5.318 -4.931 1.00 0.00 O ATOM 70 CB LYS A 8 -17.592 -6.678 -2.370 1.00 0.00 C ATOM 71 CG LYS A 8 -16.694 -6.892 -1.164 1.00 0.00 C ATOM 72 CD LYS A 8 -17.118 -6.023 0.008 1.00 0.00 C ATOM 73 CE LYS A 8 -16.242 -6.267 1.228 1.00 0.00 C ATOM 74 NZ LYS A 8 -14.900 -5.639 1.080 1.00 0.00 N ATOM 0 H LYS A 8 -18.502 -5.507 -4.797 1.00 0.00 H new ATOM 0 HA LYS A 8 -17.500 -4.537 -2.196 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -18.628 -6.842 -2.075 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -17.354 -7.425 -3.127 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -16.723 -7.941 -0.869 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.662 -6.664 -1.432 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -17.062 -4.973 -0.277 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -18.158 -6.230 0.258 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -16.734 -5.868 2.115 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -16.126 -7.340 1.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -14.333 -5.827 1.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.420 -6.038 0.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -15.009 -4.612 0.957 1.00 0.00 H new ATOM 88 N GLY A 9 -15.075 -4.868 -2.957 1.00 0.00 N ATOM 89 CA GLY A 9 -13.756 -4.727 -3.545 1.00 0.00 C ATOM 90 C GLY A 9 -13.470 -3.307 -3.993 1.00 0.00 C ATOM 91 O GLY A 9 -14.131 -2.366 -3.556 1.00 0.00 O ATOM 0 H GLY A 9 -15.111 -4.729 -1.947 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -13.003 -5.034 -2.819 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -13.668 -5.399 -4.399 1.00 0.00 H new ATOM 95 N GLY A 10 -12.481 -3.151 -4.867 1.00 0.00 N ATOM 96 CA GLY A 10 -12.125 -1.833 -5.358 1.00 0.00 C ATOM 97 C GLY A 10 -11.046 -1.882 -6.421 1.00 0.00 C ATOM 98 O GLY A 10 -10.128 -2.699 -6.348 1.00 0.00 O ATOM 0 H GLY A 10 -11.920 -3.915 -5.244 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -13.012 -1.349 -5.767 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.783 -1.219 -4.525 1.00 0.00 H new ATOM 102 N VAL A 11 -11.156 -1.005 -7.414 1.00 0.00 N ATOM 103 CA VAL A 11 -10.182 -0.952 -8.498 1.00 0.00 C ATOM 104 C VAL A 11 -8.924 -0.203 -8.071 1.00 0.00 C ATOM 105 O VAL A 11 -8.986 0.724 -7.263 1.00 0.00 O ATOM 106 CB VAL A 11 -10.770 -0.272 -9.749 1.00 0.00 C ATOM 107 CG1 VAL A 11 -9.794 -0.356 -10.912 1.00 0.00 C ATOM 108 CG2 VAL A 11 -12.106 -0.900 -10.117 1.00 0.00 C ATOM 0 H VAL A 11 -11.910 -0.322 -7.490 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.924 -1.983 -8.741 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.938 0.781 -9.524 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -10.227 0.130 -11.786 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.864 0.144 -10.643 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.591 -1.402 -11.142 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -12.508 -0.408 -11.003 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -11.965 -1.961 -10.324 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -12.804 -0.782 -9.288 1.00 0.00 H new ATOM 118 N TRP A 12 -7.785 -0.611 -8.618 1.00 0.00 N ATOM 119 CA TRP A 12 -6.512 0.022 -8.293 1.00 0.00 C ATOM 120 C TRP A 12 -5.702 0.295 -9.556 1.00 0.00 C ATOM 121 O TRP A 12 -5.691 -0.514 -10.484 1.00 0.00 O ATOM 122 CB TRP A 12 -5.708 -0.862 -7.338 1.00 0.00 C ATOM 123 CG TRP A 12 -6.111 -0.707 -5.903 1.00 0.00 C ATOM 124 CD1 TRP A 12 -7.242 -1.194 -5.313 1.00 0.00 C ATOM 125 CD2 TRP A 12 -5.387 -0.016 -4.880 1.00 0.00 C ATOM 126 NE1 TRP A 12 -7.265 -0.847 -3.983 1.00 0.00 N ATOM 127 CE2 TRP A 12 -6.138 -0.126 -3.692 1.00 0.00 C ATOM 128 CE3 TRP A 12 -4.177 0.682 -4.849 1.00 0.00 C ATOM 129 CZ2 TRP A 12 -5.716 0.439 -2.491 1.00 0.00 C ATOM 130 CZ3 TRP A 12 -3.760 1.241 -3.656 1.00 0.00 C ATOM 131 CH2 TRP A 12 -4.528 1.117 -2.491 1.00 0.00 C ATOM 0 H TRP A 12 -7.717 -1.377 -9.288 1.00 0.00 H new ATOM 0 HA TRP A 12 -6.722 0.974 -7.805 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -5.829 -1.905 -7.631 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -4.649 -0.623 -7.438 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -8.006 -1.767 -5.817 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -8.002 -1.088 -3.320 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -3.578 0.783 -5.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -6.306 0.345 -1.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.826 1.783 -3.621 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -4.175 1.566 -1.574 1.00 0.00 H new ATOM 142 N ARG A 13 -5.026 1.439 -9.584 1.00 0.00 N ATOM 143 CA ARG A 13 -4.214 1.818 -10.735 1.00 0.00 C ATOM 144 C ARG A 13 -2.729 1.788 -10.386 1.00 0.00 C ATOM 145 O ARG A 13 -2.358 1.767 -9.213 1.00 0.00 O ATOM 146 CB ARG A 13 -4.606 3.213 -11.224 1.00 0.00 C ATOM 147 CG ARG A 13 -6.031 3.298 -11.746 1.00 0.00 C ATOM 148 CD ARG A 13 -6.177 4.392 -12.792 1.00 0.00 C ATOM 149 NE ARG A 13 -5.579 4.012 -14.069 1.00 0.00 N ATOM 150 CZ ARG A 13 -5.178 4.889 -14.983 1.00 0.00 C ATOM 151 NH1 ARG A 13 -5.310 6.189 -14.762 1.00 0.00 N ATOM 152 NH2 ARG A 13 -4.644 4.465 -16.121 1.00 0.00 N ATOM 0 H ARG A 13 -5.024 2.119 -8.824 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.397 1.096 -11.531 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.485 3.923 -10.406 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.920 3.518 -12.014 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.319 2.340 -12.178 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.712 3.492 -10.917 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.234 4.614 -12.939 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.706 5.306 -12.429 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.463 3.019 -14.270 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.720 6.519 -13.888 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.001 6.860 -15.466 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.541 3.465 -16.295 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.336 5.139 -16.822 1.00 0.00 H new ATOM 166 N ASN A 14 -1.885 1.785 -11.413 1.00 0.00 N ATOM 167 CA ASN A 14 -0.441 1.756 -11.215 1.00 0.00 C ATOM 168 C ASN A 14 -0.014 2.788 -10.175 1.00 0.00 C ATOM 169 O ASN A 14 0.794 2.498 -9.291 1.00 0.00 O ATOM 170 CB ASN A 14 0.282 2.020 -12.537 1.00 0.00 C ATOM 171 CG ASN A 14 -0.390 3.104 -13.357 1.00 0.00 C ATOM 172 OD1 ASN A 14 -1.194 2.819 -14.245 1.00 0.00 O ATOM 173 ND2 ASN A 14 -0.063 4.357 -13.062 1.00 0.00 N ATOM 0 H ASN A 14 -2.177 1.802 -12.390 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.169 0.765 -10.852 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.313 2.309 -12.333 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.319 1.099 -13.118 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.483 5.129 -13.580 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.608 4.547 -12.318 1.00 0.00 H new ATOM 180 N THR A 15 -0.561 3.994 -10.286 1.00 0.00 N ATOM 181 CA THR A 15 -0.237 5.069 -9.356 1.00 0.00 C ATOM 182 C THR A 15 -0.644 4.706 -7.933 1.00 0.00 C ATOM 183 O THR A 15 0.196 4.643 -7.035 1.00 0.00 O ATOM 184 CB THR A 15 -0.931 6.385 -9.756 1.00 0.00 C ATOM 185 OG1 THR A 15 -2.319 6.149 -10.016 1.00 0.00 O ATOM 186 CG2 THR A 15 -0.275 6.989 -10.989 1.00 0.00 C ATOM 0 H THR A 15 -1.231 4.251 -11.011 1.00 0.00 H new ATOM 0 HA THR A 15 0.843 5.208 -9.398 1.00 0.00 H new ATOM 0 HB THR A 15 -0.832 7.088 -8.929 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.752 6.991 -10.268 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.782 7.917 -11.253 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.774 7.195 -10.779 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.347 6.287 -11.820 1.00 0.00 H new ATOM 194 N GLU A 16 -1.936 4.467 -7.734 1.00 0.00 N ATOM 195 CA GLU A 16 -2.453 4.111 -6.417 1.00 0.00 C ATOM 196 C GLU A 16 -1.545 3.092 -5.735 1.00 0.00 C ATOM 197 O GLU A 16 -1.227 3.221 -4.552 1.00 0.00 O ATOM 198 CB GLU A 16 -3.870 3.548 -6.536 1.00 0.00 C ATOM 199 CG GLU A 16 -4.954 4.613 -6.492 1.00 0.00 C ATOM 200 CD GLU A 16 -5.456 4.875 -5.086 1.00 0.00 C ATOM 201 OE1 GLU A 16 -5.372 3.957 -4.244 1.00 0.00 O ATOM 202 OE2 GLU A 16 -5.934 6.000 -4.828 1.00 0.00 O ATOM 0 H GLU A 16 -2.644 4.513 -8.467 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.479 5.015 -5.808 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.954 2.994 -7.471 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.038 2.837 -5.728 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.565 5.540 -6.914 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.789 4.303 -7.120 1.00 0.00 H new ATOM 209 N ASP A 17 -1.132 2.078 -6.488 1.00 0.00 N ATOM 210 CA ASP A 17 -0.260 1.036 -5.957 1.00 0.00 C ATOM 211 C ASP A 17 1.103 1.608 -5.581 1.00 0.00 C ATOM 212 O ASP A 17 1.662 1.269 -4.539 1.00 0.00 O ATOM 213 CB ASP A 17 -0.092 -0.088 -6.980 1.00 0.00 C ATOM 214 CG ASP A 17 -1.143 -1.170 -6.829 1.00 0.00 C ATOM 215 OD1 ASP A 17 -2.240 -0.864 -6.317 1.00 0.00 O ATOM 216 OD2 ASP A 17 -0.869 -2.323 -7.224 1.00 0.00 O ATOM 0 H ASP A 17 -1.387 1.955 -7.468 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.724 0.631 -5.058 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -0.146 0.329 -7.986 1.00 0.00 H new ATOM 0 HB3 ASP A 17 0.898 -0.530 -6.871 1.00 0.00 H new ATOM 221 N GLU A 18 1.633 2.475 -6.439 1.00 0.00 N ATOM 222 CA GLU A 18 2.932 3.091 -6.198 1.00 0.00 C ATOM 223 C GLU A 18 2.931 3.864 -4.881 1.00 0.00 C ATOM 224 O GLU A 18 3.810 3.676 -4.039 1.00 0.00 O ATOM 225 CB GLU A 18 3.300 4.027 -7.351 1.00 0.00 C ATOM 226 CG GLU A 18 4.050 3.338 -8.478 1.00 0.00 C ATOM 227 CD GLU A 18 5.434 2.880 -8.064 1.00 0.00 C ATOM 228 OE1 GLU A 18 6.097 3.610 -7.297 1.00 0.00 O ATOM 229 OE2 GLU A 18 5.856 1.791 -8.506 1.00 0.00 O ATOM 0 H GLU A 18 1.182 2.766 -7.307 1.00 0.00 H new ATOM 0 HA GLU A 18 3.676 2.297 -6.133 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.389 4.473 -7.751 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.911 4.843 -6.965 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.474 2.478 -8.820 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.135 4.021 -9.323 1.00 0.00 H new ATOM 236 N ILE A 19 1.940 4.733 -4.713 1.00 0.00 N ATOM 237 CA ILE A 19 1.825 5.533 -3.500 1.00 0.00 C ATOM 238 C ILE A 19 1.724 4.646 -2.264 1.00 0.00 C ATOM 239 O ILE A 19 2.457 4.831 -1.292 1.00 0.00 O ATOM 240 CB ILE A 19 0.598 6.462 -3.554 1.00 0.00 C ATOM 241 CG1 ILE A 19 0.703 7.414 -4.747 1.00 0.00 C ATOM 242 CG2 ILE A 19 0.469 7.244 -2.255 1.00 0.00 C ATOM 243 CD1 ILE A 19 -0.639 7.838 -5.302 1.00 0.00 C ATOM 0 H ILE A 19 1.206 4.901 -5.401 1.00 0.00 H new ATOM 0 HA ILE A 19 2.728 6.140 -3.435 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.296 5.851 -3.679 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.259 8.302 -4.445 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.278 6.931 -5.537 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.403 7.896 -2.308 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.353 6.550 -1.423 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.364 7.847 -2.103 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.488 8.512 -6.145 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.189 6.958 -5.635 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.208 8.350 -4.526 1.00 0.00 H new ATOM 255 N LEU A 20 0.812 3.681 -2.308 1.00 0.00 N ATOM 256 CA LEU A 20 0.615 2.763 -1.191 1.00 0.00 C ATOM 257 C LEU A 20 1.902 2.007 -0.875 1.00 0.00 C ATOM 258 O LEU A 20 2.437 2.105 0.230 1.00 0.00 O ATOM 259 CB LEU A 20 -0.506 1.773 -1.511 1.00 0.00 C ATOM 260 CG LEU A 20 -0.678 0.614 -0.529 1.00 0.00 C ATOM 261 CD1 LEU A 20 -1.348 1.093 0.750 1.00 0.00 C ATOM 262 CD2 LEU A 20 -1.483 -0.510 -1.166 1.00 0.00 C ATOM 0 H LEU A 20 0.197 3.514 -3.105 1.00 0.00 H new ATOM 0 HA LEU A 20 0.335 3.349 -0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.446 2.323 -1.561 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.326 1.359 -2.503 1.00 0.00 H new ATOM 0 HG LEU A 20 0.309 0.228 -0.275 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.462 0.254 1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.733 1.863 1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.329 1.505 0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.595 -1.326 -0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.467 -0.137 -1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.963 -0.872 -2.053 1.00 0.00 H new ATOM 274 N LYS A 21 2.396 1.255 -1.853 1.00 0.00 N ATOM 275 CA LYS A 21 3.622 0.485 -1.681 1.00 0.00 C ATOM 276 C LYS A 21 4.664 1.286 -0.908 1.00 0.00 C ATOM 277 O LYS A 21 5.111 0.871 0.161 1.00 0.00 O ATOM 278 CB LYS A 21 4.186 0.075 -3.044 1.00 0.00 C ATOM 279 CG LYS A 21 3.531 -1.166 -3.625 1.00 0.00 C ATOM 280 CD LYS A 21 3.692 -1.227 -5.134 1.00 0.00 C ATOM 281 CE LYS A 21 5.071 -1.733 -5.529 1.00 0.00 C ATOM 282 NZ LYS A 21 5.180 -3.212 -5.390 1.00 0.00 N ATOM 0 H LYS A 21 1.966 1.163 -2.773 1.00 0.00 H new ATOM 0 HA LYS A 21 3.381 -0.411 -1.109 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.062 0.902 -3.743 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.257 -0.102 -2.946 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.972 -2.056 -3.175 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.471 -1.172 -3.371 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.929 -1.881 -5.556 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.532 -0.236 -5.558 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.281 -1.449 -6.560 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.826 -1.253 -4.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.117 -3.523 -5.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.056 -3.477 -4.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.444 -3.670 -5.964 1.00 0.00 H new ATOM 296 N ALA A 22 5.045 2.436 -1.454 1.00 0.00 N ATOM 297 CA ALA A 22 6.032 3.296 -0.814 1.00 0.00 C ATOM 298 C ALA A 22 5.644 3.595 0.631 1.00 0.00 C ATOM 299 O ALA A 22 6.358 3.227 1.563 1.00 0.00 O ATOM 300 CB ALA A 22 6.192 4.591 -1.597 1.00 0.00 C ATOM 0 H ALA A 22 4.685 2.794 -2.339 1.00 0.00 H new ATOM 0 HA ALA A 22 6.986 2.769 -0.806 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.932 5.223 -1.107 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.522 4.365 -2.611 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.236 5.114 -1.635 1.00 0.00 H new ATOM 306 N ALA A 23 4.510 4.264 0.808 1.00 0.00 N ATOM 307 CA ALA A 23 4.027 4.610 2.139 1.00 0.00 C ATOM 308 C ALA A 23 4.275 3.474 3.126 1.00 0.00 C ATOM 309 O ALA A 23 4.902 3.669 4.168 1.00 0.00 O ATOM 310 CB ALA A 23 2.546 4.956 2.091 1.00 0.00 C ATOM 0 H ALA A 23 3.908 4.577 0.046 1.00 0.00 H new ATOM 0 HA ALA A 23 4.581 5.483 2.483 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.200 5.212 3.092 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.392 5.805 1.425 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.984 4.099 1.721 1.00 0.00 H new ATOM 316 N VAL A 24 3.780 2.287 2.791 1.00 0.00 N ATOM 317 CA VAL A 24 3.948 1.120 3.648 1.00 0.00 C ATOM 318 C VAL A 24 5.411 0.923 4.028 1.00 0.00 C ATOM 319 O VAL A 24 5.724 0.522 5.148 1.00 0.00 O ATOM 320 CB VAL A 24 3.430 -0.159 2.963 1.00 0.00 C ATOM 321 CG1 VAL A 24 3.642 -1.369 3.859 1.00 0.00 C ATOM 322 CG2 VAL A 24 1.962 -0.008 2.595 1.00 0.00 C ATOM 0 H VAL A 24 3.259 2.108 1.932 1.00 0.00 H new ATOM 0 HA VAL A 24 3.363 1.303 4.549 1.00 0.00 H new ATOM 0 HB VAL A 24 3.997 -0.314 2.045 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.270 -2.263 3.358 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.706 -1.486 4.067 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.103 -1.227 4.796 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.612 -0.920 2.112 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.377 0.172 3.497 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.843 0.833 1.912 1.00 0.00 H new ATOM 332 N MET A 25 6.305 1.208 3.086 1.00 0.00 N ATOM 333 CA MET A 25 7.736 1.063 3.322 1.00 0.00 C ATOM 334 C MET A 25 8.250 2.168 4.241 1.00 0.00 C ATOM 335 O MET A 25 9.183 1.961 5.016 1.00 0.00 O ATOM 336 CB MET A 25 8.499 1.091 1.996 1.00 0.00 C ATOM 337 CG MET A 25 8.085 -0.010 1.034 1.00 0.00 C ATOM 338 SD MET A 25 8.637 -1.642 1.565 1.00 0.00 S ATOM 339 CE MET A 25 7.247 -2.160 2.569 1.00 0.00 C ATOM 0 H MET A 25 6.063 1.541 2.153 1.00 0.00 H new ATOM 0 HA MET A 25 7.903 0.102 3.809 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.344 2.058 1.517 1.00 0.00 H new ATOM 0 HB3 MET A 25 9.566 1.003 2.198 1.00 0.00 H new ATOM 0 HG2 MET A 25 6.999 -0.012 0.936 1.00 0.00 H new ATOM 0 HG3 MET A 25 8.494 0.204 0.046 1.00 0.00 H new ATOM 0 HE1 MET A 25 7.537 -2.159 3.620 1.00 0.00 H new ATOM 0 HE2 MET A 25 6.415 -1.472 2.421 1.00 0.00 H new ATOM 0 HE3 MET A 25 6.942 -3.165 2.278 1.00 0.00 H new ATOM 349 N LYS A 26 7.634 3.342 4.148 1.00 0.00 N ATOM 350 CA LYS A 26 8.028 4.479 4.971 1.00 0.00 C ATOM 351 C LYS A 26 7.394 4.394 6.356 1.00 0.00 C ATOM 352 O LYS A 26 8.090 4.228 7.358 1.00 0.00 O ATOM 353 CB LYS A 26 7.622 5.790 4.293 1.00 0.00 C ATOM 354 CG LYS A 26 8.239 7.021 4.933 1.00 0.00 C ATOM 355 CD LYS A 26 7.580 8.297 4.436 1.00 0.00 C ATOM 356 CE LYS A 26 8.299 9.534 4.953 1.00 0.00 C ATOM 357 NZ LYS A 26 7.922 9.847 6.359 1.00 0.00 N ATOM 0 H LYS A 26 6.860 3.531 3.511 1.00 0.00 H new ATOM 0 HA LYS A 26 9.112 4.455 5.084 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.913 5.752 3.243 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.536 5.882 4.320 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.140 6.957 6.017 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.306 7.051 4.712 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.577 8.306 3.346 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.539 8.319 4.758 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.376 9.380 4.891 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.062 10.385 4.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.495 10.644 6.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.914 10.101 6.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.093 9.014 6.958 1.00 0.00 H new ATOM 371 N TYR A 27 6.072 4.506 6.405 1.00 0.00 N ATOM 372 CA TYR A 27 5.345 4.442 7.667 1.00 0.00 C ATOM 373 C TYR A 27 5.388 3.033 8.250 1.00 0.00 C ATOM 374 O TYR A 27 5.386 2.851 9.467 1.00 0.00 O ATOM 375 CB TYR A 27 3.893 4.878 7.466 1.00 0.00 C ATOM 376 CG TYR A 27 3.746 6.118 6.613 1.00 0.00 C ATOM 377 CD1 TYR A 27 4.645 7.171 6.723 1.00 0.00 C ATOM 378 CD2 TYR A 27 2.707 6.237 5.698 1.00 0.00 C ATOM 379 CE1 TYR A 27 4.515 8.306 5.946 1.00 0.00 C ATOM 380 CE2 TYR A 27 2.569 7.367 4.916 1.00 0.00 C ATOM 381 CZ TYR A 27 3.475 8.399 5.044 1.00 0.00 C ATOM 382 OH TYR A 27 3.341 9.527 4.268 1.00 0.00 O ATOM 0 H TYR A 27 5.481 4.642 5.585 1.00 0.00 H new ATOM 0 HA TYR A 27 5.828 5.121 8.370 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.338 4.062 7.004 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.439 5.061 8.440 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.460 7.101 7.428 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.995 5.432 5.597 1.00 0.00 H new ATOM 0 HE1 TYR A 27 5.223 9.116 6.044 1.00 0.00 H new ATOM 0 HE2 TYR A 27 1.756 7.442 4.208 1.00 0.00 H new ATOM 0 HH TYR A 27 2.722 9.345 3.530 1.00 0.00 H new ATOM 392 N GLY A 28 5.428 2.036 7.370 1.00 0.00 N ATOM 393 CA GLY A 28 5.471 0.655 7.815 1.00 0.00 C ATOM 394 C GLY A 28 4.145 -0.055 7.630 1.00 0.00 C ATOM 395 O GLY A 28 3.155 0.556 7.229 1.00 0.00 O ATOM 0 H GLY A 28 5.431 2.160 6.358 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.245 0.122 7.262 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.752 0.624 8.868 1.00 0.00 H new ATOM 399 N LYS A 29 4.125 -1.351 7.923 1.00 0.00 N ATOM 400 CA LYS A 29 2.911 -2.148 7.787 1.00 0.00 C ATOM 401 C LYS A 29 2.043 -2.034 9.036 1.00 0.00 C ATOM 402 O LYS A 29 1.406 -3.001 9.451 1.00 0.00 O ATOM 403 CB LYS A 29 3.264 -3.614 7.530 1.00 0.00 C ATOM 404 CG LYS A 29 4.101 -3.829 6.281 1.00 0.00 C ATOM 405 CD LYS A 29 4.578 -5.267 6.170 1.00 0.00 C ATOM 406 CE LYS A 29 5.177 -5.551 4.801 1.00 0.00 C ATOM 407 NZ LYS A 29 6.069 -6.743 4.822 1.00 0.00 N ATOM 0 H LYS A 29 4.936 -1.872 8.256 1.00 0.00 H new ATOM 0 HA LYS A 29 2.347 -1.763 6.937 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.805 -4.005 8.392 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.343 -4.191 7.444 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.514 -3.570 5.400 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.961 -3.160 6.299 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.321 -5.466 6.942 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.743 -5.944 6.350 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.375 -5.710 4.080 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.741 -4.681 4.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.457 -6.903 3.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.849 -6.582 5.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.525 -7.578 5.119 1.00 0.00 H new ATOM 421 N ASN A 30 2.022 -0.845 9.631 1.00 0.00 N ATOM 422 CA ASN A 30 1.231 -0.605 10.832 1.00 0.00 C ATOM 423 C ASN A 30 0.393 0.661 10.688 1.00 0.00 C ATOM 424 O ASN A 30 -0.708 0.753 11.230 1.00 0.00 O ATOM 425 CB ASN A 30 2.144 -0.489 12.054 1.00 0.00 C ATOM 426 CG ASN A 30 3.355 0.386 11.790 1.00 0.00 C ATOM 427 OD1 ASN A 30 4.160 0.100 10.904 1.00 0.00 O ATOM 428 ND2 ASN A 30 3.488 1.459 12.560 1.00 0.00 N ATOM 0 H ASN A 30 2.544 -0.033 9.301 1.00 0.00 H new ATOM 0 HA ASN A 30 0.558 -1.451 10.968 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.578 -0.078 12.890 1.00 0.00 H new ATOM 0 HB3 ASN A 30 2.476 -1.484 12.352 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.282 2.085 12.429 1.00 0.00 H new ATOM 0 HD22 ASN A 30 2.796 1.657 13.283 1.00 0.00 H new ATOM 435 N GLN A 31 0.921 1.634 9.952 1.00 0.00 N ATOM 436 CA GLN A 31 0.221 2.894 9.737 1.00 0.00 C ATOM 437 C GLN A 31 -0.730 2.793 8.549 1.00 0.00 C ATOM 438 O GLN A 31 -0.850 3.727 7.756 1.00 0.00 O ATOM 439 CB GLN A 31 1.224 4.026 9.507 1.00 0.00 C ATOM 440 CG GLN A 31 2.123 4.296 10.703 1.00 0.00 C ATOM 441 CD GLN A 31 1.538 5.324 11.652 1.00 0.00 C ATOM 442 OE1 GLN A 31 0.939 4.976 12.670 1.00 0.00 O ATOM 443 NE2 GLN A 31 1.710 6.598 11.323 1.00 0.00 N ATOM 0 H GLN A 31 1.831 1.573 9.495 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.364 3.112 10.630 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.844 3.781 8.645 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.680 4.937 9.259 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.293 3.364 11.243 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.095 4.643 10.351 1.00 0.00 H new ATOM 0 HE21 GLN A 31 2.213 6.841 10.470 1.00 0.00 H new ATOM 0 HE22 GLN A 31 1.339 7.334 11.924 1.00 0.00 H new ATOM 452 N TRP A 32 -1.403 1.654 8.432 1.00 0.00 N ATOM 453 CA TRP A 32 -2.343 1.430 7.340 1.00 0.00 C ATOM 454 C TRP A 32 -3.393 2.535 7.291 1.00 0.00 C ATOM 455 O TRP A 32 -3.756 3.012 6.216 1.00 0.00 O ATOM 456 CB TRP A 32 -3.024 0.069 7.496 1.00 0.00 C ATOM 457 CG TRP A 32 -2.107 -1.087 7.232 1.00 0.00 C ATOM 458 CD1 TRP A 32 -1.775 -2.085 8.103 1.00 0.00 C ATOM 459 CD2 TRP A 32 -1.403 -1.362 6.016 1.00 0.00 C ATOM 460 NE1 TRP A 32 -0.908 -2.965 7.501 1.00 0.00 N ATOM 461 CE2 TRP A 32 -0.665 -2.544 6.221 1.00 0.00 C ATOM 462 CE3 TRP A 32 -1.327 -0.727 4.774 1.00 0.00 C ATOM 463 CZ2 TRP A 32 0.139 -3.100 5.229 1.00 0.00 C ATOM 464 CZ3 TRP A 32 -0.528 -1.279 3.791 1.00 0.00 C ATOM 465 CH2 TRP A 32 0.196 -2.457 4.023 1.00 0.00 C ATOM 0 H TRP A 32 -1.315 0.871 9.080 1.00 0.00 H new ATOM 0 HA TRP A 32 -1.784 1.443 6.404 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -3.423 -0.016 8.507 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.872 0.014 6.813 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.140 -2.170 9.116 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -0.510 -3.797 7.937 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -1.883 0.179 4.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.698 -4.007 5.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.460 -0.795 2.828 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.811 -2.865 3.234 1.00 0.00 H new ATOM 476 N SER A 33 -3.878 2.937 8.462 1.00 0.00 N ATOM 477 CA SER A 33 -4.889 3.983 8.552 1.00 0.00 C ATOM 478 C SER A 33 -4.395 5.274 7.905 1.00 0.00 C ATOM 479 O SER A 33 -5.078 5.862 7.066 1.00 0.00 O ATOM 480 CB SER A 33 -5.258 4.242 10.014 1.00 0.00 C ATOM 481 OG SER A 33 -4.103 4.498 10.794 1.00 0.00 O ATOM 0 H SER A 33 -3.587 2.554 9.361 1.00 0.00 H new ATOM 0 HA SER A 33 -5.775 3.643 8.016 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.938 5.092 10.076 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.789 3.379 10.417 1.00 0.00 H new ATOM 0 HG SER A 33 -4.366 4.662 11.724 1.00 0.00 H new ATOM 487 N ARG A 34 -3.203 5.708 8.301 1.00 0.00 N ATOM 488 CA ARG A 34 -2.617 6.929 7.761 1.00 0.00 C ATOM 489 C ARG A 34 -2.424 6.818 6.251 1.00 0.00 C ATOM 490 O ARG A 34 -2.856 7.689 5.495 1.00 0.00 O ATOM 491 CB ARG A 34 -1.276 7.218 8.438 1.00 0.00 C ATOM 492 CG ARG A 34 -0.759 8.626 8.188 1.00 0.00 C ATOM 493 CD ARG A 34 0.761 8.671 8.199 1.00 0.00 C ATOM 494 NE ARG A 34 1.270 10.032 8.055 1.00 0.00 N ATOM 495 CZ ARG A 34 1.421 10.871 9.074 1.00 0.00 C ATOM 496 NH1 ARG A 34 1.105 10.490 10.304 1.00 0.00 N ATOM 497 NH2 ARG A 34 1.889 12.095 8.863 1.00 0.00 N ATOM 0 H ARG A 34 -2.624 5.233 8.993 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.303 7.752 7.962 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.380 7.063 9.512 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -0.537 6.500 8.083 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.128 8.985 7.227 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.150 9.299 8.951 1.00 0.00 H new ATOM 0 HD2 ARG A 34 1.129 8.243 9.131 1.00 0.00 H new ATOM 0 HD3 ARG A 34 1.148 8.052 7.389 1.00 0.00 H new ATOM 0 HE ARG A 34 1.523 10.356 7.122 1.00 0.00 H new ATOM 0 HH11 ARG A 34 0.745 9.550 10.470 1.00 0.00 H new ATOM 0 HH12 ARG A 34 1.222 11.137 11.084 1.00 0.00 H new ATOM 0 HH21 ARG A 34 2.133 12.392 7.918 1.00 0.00 H new ATOM 0 HH22 ARG A 34 2.005 12.739 9.646 1.00 0.00 H new ATOM 511 N ILE A 35 -1.772 5.743 5.821 1.00 0.00 N ATOM 512 CA ILE A 35 -1.523 5.519 4.402 1.00 0.00 C ATOM 513 C ILE A 35 -2.775 5.787 3.575 1.00 0.00 C ATOM 514 O ILE A 35 -2.723 6.477 2.557 1.00 0.00 O ATOM 515 CB ILE A 35 -1.043 4.080 4.136 1.00 0.00 C ATOM 516 CG1 ILE A 35 0.336 3.855 4.759 1.00 0.00 C ATOM 517 CG2 ILE A 35 -1.006 3.802 2.640 1.00 0.00 C ATOM 518 CD1 ILE A 35 0.706 2.395 4.897 1.00 0.00 C ATOM 0 H ILE A 35 -1.407 5.014 6.434 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.739 6.216 4.105 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.747 3.387 4.598 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.088 4.356 4.149 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.362 4.323 5.743 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.665 2.781 2.468 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.005 3.926 2.222 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.322 4.500 2.157 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.696 2.311 5.346 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.024 1.893 5.532 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.713 1.927 3.913 1.00 0.00 H new ATOM 530 N ALA A 36 -3.901 5.237 4.020 1.00 0.00 N ATOM 531 CA ALA A 36 -5.168 5.420 3.323 1.00 0.00 C ATOM 532 C ALA A 36 -5.428 6.894 3.035 1.00 0.00 C ATOM 533 O ALA A 36 -5.984 7.244 1.994 1.00 0.00 O ATOM 534 CB ALA A 36 -6.308 4.830 4.138 1.00 0.00 C ATOM 0 H ALA A 36 -3.961 4.661 4.860 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.109 4.896 2.369 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.248 4.974 3.606 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.135 3.764 4.287 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.359 5.328 5.106 1.00 0.00 H new ATOM 540 N SER A 37 -5.024 7.754 3.964 1.00 0.00 N ATOM 541 CA SER A 37 -5.218 9.192 3.811 1.00 0.00 C ATOM 542 C SER A 37 -4.625 9.683 2.494 1.00 0.00 C ATOM 543 O SER A 37 -5.220 10.509 1.802 1.00 0.00 O ATOM 544 CB SER A 37 -4.579 9.941 4.982 1.00 0.00 C ATOM 545 OG SER A 37 -4.884 11.324 4.930 1.00 0.00 O ATOM 0 H SER A 37 -4.560 7.481 4.830 1.00 0.00 H new ATOM 0 HA SER A 37 -6.290 9.391 3.803 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.935 9.522 5.923 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.498 9.803 4.960 1.00 0.00 H new ATOM 0 HG SER A 37 -4.465 11.780 5.690 1.00 0.00 H new ATOM 551 N LEU A 38 -3.448 9.170 2.155 1.00 0.00 N ATOM 552 CA LEU A 38 -2.772 9.555 0.921 1.00 0.00 C ATOM 553 C LEU A 38 -3.658 9.288 -0.292 1.00 0.00 C ATOM 554 O LEU A 38 -3.837 10.156 -1.148 1.00 0.00 O ATOM 555 CB LEU A 38 -1.452 8.795 0.779 1.00 0.00 C ATOM 556 CG LEU A 38 -0.497 8.882 1.970 1.00 0.00 C ATOM 557 CD1 LEU A 38 0.600 7.836 1.852 1.00 0.00 C ATOM 558 CD2 LEU A 38 0.103 10.277 2.071 1.00 0.00 C ATOM 0 H LEU A 38 -2.942 8.486 2.717 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.565 10.624 0.969 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.678 7.745 0.596 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.934 9.168 -0.105 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.063 8.684 2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.270 7.913 2.708 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.154 6.842 1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.164 8.002 0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.780 10.321 2.924 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.654 10.503 1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.695 11.008 2.203 1.00 0.00 H new ATOM 570 N LEU A 39 -4.213 8.083 -0.358 1.00 0.00 N ATOM 571 CA LEU A 39 -5.084 7.701 -1.465 1.00 0.00 C ATOM 572 C LEU A 39 -6.524 8.123 -1.195 1.00 0.00 C ATOM 573 O LEU A 39 -7.027 7.977 -0.081 1.00 0.00 O ATOM 574 CB LEU A 39 -5.018 6.190 -1.693 1.00 0.00 C ATOM 575 CG LEU A 39 -3.617 5.580 -1.750 1.00 0.00 C ATOM 576 CD1 LEU A 39 -3.662 4.103 -1.390 1.00 0.00 C ATOM 577 CD2 LEU A 39 -3.005 5.776 -3.129 1.00 0.00 C ATOM 0 H LEU A 39 -4.076 7.353 0.342 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.737 8.214 -2.362 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.575 5.698 -0.895 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.530 5.961 -2.627 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.990 6.092 -1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.656 3.686 -1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.057 3.986 -0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.305 3.576 -2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.008 5.336 -3.151 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.632 5.292 -3.878 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.936 6.841 -3.348 1.00 0.00 H new ATOM 589 N HIS A 40 -7.184 8.647 -2.224 1.00 0.00 N ATOM 590 CA HIS A 40 -8.569 9.088 -2.098 1.00 0.00 C ATOM 591 C HIS A 40 -9.531 7.922 -2.302 1.00 0.00 C ATOM 592 O HIS A 40 -9.298 7.051 -3.140 1.00 0.00 O ATOM 593 CB HIS A 40 -8.867 10.193 -3.112 1.00 0.00 C ATOM 594 CG HIS A 40 -9.323 9.679 -4.443 1.00 0.00 C ATOM 595 ND1 HIS A 40 -8.694 8.645 -5.105 1.00 0.00 N ATOM 596 CD2 HIS A 40 -10.352 10.060 -5.234 1.00 0.00 C ATOM 597 CE1 HIS A 40 -9.317 8.415 -6.247 1.00 0.00 C ATOM 598 NE2 HIS A 40 -10.327 9.260 -6.349 1.00 0.00 N ATOM 0 H HIS A 40 -6.783 8.776 -3.153 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.710 9.480 -1.091 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -9.634 10.852 -2.704 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -7.970 10.797 -3.253 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -11.061 10.847 -5.027 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -9.046 7.663 -6.974 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -10.982 9.310 -7.129 1.00 0.00 H new ATOM 607 N ARG A 41 -10.612 7.911 -1.529 1.00 0.00 N ATOM 608 CA ARG A 41 -11.608 6.851 -1.623 1.00 0.00 C ATOM 609 C ARG A 41 -11.012 5.507 -1.216 1.00 0.00 C ATOM 610 O ARG A 41 -11.336 4.470 -1.795 1.00 0.00 O ATOM 611 CB ARG A 41 -12.161 6.766 -3.047 1.00 0.00 C ATOM 612 CG ARG A 41 -12.655 8.097 -3.589 1.00 0.00 C ATOM 613 CD ARG A 41 -13.789 7.907 -4.583 1.00 0.00 C ATOM 614 NE ARG A 41 -14.261 9.178 -5.126 1.00 0.00 N ATOM 615 CZ ARG A 41 -15.148 9.273 -6.110 1.00 0.00 C ATOM 616 NH1 ARG A 41 -15.657 8.178 -6.657 1.00 0.00 N ATOM 617 NH2 ARG A 41 -15.528 10.467 -6.549 1.00 0.00 N ATOM 0 H ARG A 41 -10.820 8.625 -0.831 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.422 7.090 -0.938 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.384 6.380 -3.707 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.981 6.048 -3.067 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.994 8.724 -2.764 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.831 8.623 -4.071 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.452 7.267 -5.399 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.616 7.392 -4.095 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.889 10.040 -4.728 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.368 7.259 -6.322 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.338 8.255 -7.412 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -15.139 11.312 -6.131 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.209 10.539 -7.305 1.00 0.00 H new ATOM 631 N LYS A 42 -10.138 5.532 -0.215 1.00 0.00 N ATOM 632 CA LYS A 42 -9.496 4.316 0.271 1.00 0.00 C ATOM 633 C LYS A 42 -9.506 4.268 1.795 1.00 0.00 C ATOM 634 O LYS A 42 -9.553 5.304 2.458 1.00 0.00 O ATOM 635 CB LYS A 42 -8.056 4.235 -0.243 1.00 0.00 C ATOM 636 CG LYS A 42 -7.957 3.985 -1.738 1.00 0.00 C ATOM 637 CD LYS A 42 -8.352 2.561 -2.092 1.00 0.00 C ATOM 638 CE LYS A 42 -8.758 2.443 -3.553 1.00 0.00 C ATOM 639 NZ LYS A 42 -10.215 2.679 -3.745 1.00 0.00 N ATOM 0 H LYS A 42 -9.858 6.381 0.276 1.00 0.00 H new ATOM 0 HA LYS A 42 -10.059 3.462 -0.106 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.541 5.165 -0.004 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.535 3.437 0.286 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.602 4.685 -2.269 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.937 4.175 -2.073 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.517 1.890 -1.890 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.178 2.243 -1.457 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.193 3.162 -4.146 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.499 1.451 -3.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.378 3.103 -4.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.724 1.775 -3.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.562 3.324 -3.007 1.00 0.00 H new ATOM 653 N SER A 43 -9.461 3.059 2.345 1.00 0.00 N ATOM 654 CA SER A 43 -9.467 2.876 3.792 1.00 0.00 C ATOM 655 C SER A 43 -8.473 1.796 4.207 1.00 0.00 C ATOM 656 O SER A 43 -8.077 0.957 3.398 1.00 0.00 O ATOM 657 CB SER A 43 -10.871 2.505 4.274 1.00 0.00 C ATOM 658 OG SER A 43 -11.642 3.665 4.537 1.00 0.00 O ATOM 0 H SER A 43 -9.420 2.191 1.811 1.00 0.00 H new ATOM 0 HA SER A 43 -9.168 3.817 4.254 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.369 1.897 3.519 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.801 1.899 5.177 1.00 0.00 H new ATOM 0 HG SER A 43 -12.535 3.402 4.842 1.00 0.00 H new ATOM 664 N ALA A 44 -8.074 1.824 5.474 1.00 0.00 N ATOM 665 CA ALA A 44 -7.128 0.847 5.999 1.00 0.00 C ATOM 666 C ALA A 44 -7.429 -0.550 5.467 1.00 0.00 C ATOM 667 O ALA A 44 -6.522 -1.289 5.083 1.00 0.00 O ATOM 668 CB ALA A 44 -7.154 0.851 7.520 1.00 0.00 C ATOM 0 H ALA A 44 -8.391 2.513 6.156 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.130 1.128 5.663 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.443 0.117 7.898 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.882 1.841 7.886 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.156 0.598 7.867 1.00 0.00 H new ATOM 674 N LYS A 45 -8.709 -0.907 5.447 1.00 0.00 N ATOM 675 CA LYS A 45 -9.132 -2.216 4.961 1.00 0.00 C ATOM 676 C LYS A 45 -8.648 -2.448 3.533 1.00 0.00 C ATOM 677 O LYS A 45 -7.958 -3.428 3.254 1.00 0.00 O ATOM 678 CB LYS A 45 -10.656 -2.337 5.022 1.00 0.00 C ATOM 679 CG LYS A 45 -11.179 -2.761 6.383 1.00 0.00 C ATOM 680 CD LYS A 45 -11.159 -4.272 6.542 1.00 0.00 C ATOM 681 CE LYS A 45 -12.405 -4.911 5.947 1.00 0.00 C ATOM 682 NZ LYS A 45 -13.517 -4.984 6.935 1.00 0.00 N ATOM 0 H LYS A 45 -9.472 -0.308 5.762 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.688 -2.976 5.604 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.099 -1.378 4.755 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.985 -3.059 4.275 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.573 -2.304 7.165 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.197 -2.394 6.513 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.272 -4.679 6.055 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -11.087 -4.527 7.599 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.728 -4.337 5.079 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.166 -5.914 5.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.347 -5.425 6.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -13.218 -5.553 7.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.763 -4.025 7.252 1.00 0.00 H new ATOM 696 N GLN A 46 -9.015 -1.540 2.634 1.00 0.00 N ATOM 697 CA GLN A 46 -8.618 -1.647 1.235 1.00 0.00 C ATOM 698 C GLN A 46 -7.099 -1.651 1.100 1.00 0.00 C ATOM 699 O GLN A 46 -6.532 -2.474 0.380 1.00 0.00 O ATOM 700 CB GLN A 46 -9.212 -0.494 0.425 1.00 0.00 C ATOM 701 CG GLN A 46 -10.579 -0.803 -0.163 1.00 0.00 C ATOM 702 CD GLN A 46 -10.608 -2.124 -0.907 1.00 0.00 C ATOM 703 OE1 GLN A 46 -11.076 -3.135 -0.382 1.00 0.00 O ATOM 704 NE2 GLN A 46 -10.108 -2.123 -2.137 1.00 0.00 N ATOM 0 H GLN A 46 -9.586 -0.723 2.849 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.001 -2.590 0.845 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -9.291 0.385 1.065 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.527 -0.239 -0.384 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -11.318 -0.825 0.638 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.868 -0.001 -0.842 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -9.730 -1.262 -2.533 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.102 -2.983 -2.686 1.00 0.00 H new ATOM 713 N CYS A 47 -6.446 -0.726 1.795 1.00 0.00 N ATOM 714 CA CYS A 47 -4.992 -0.622 1.751 1.00 0.00 C ATOM 715 C CYS A 47 -4.339 -1.934 2.176 1.00 0.00 C ATOM 716 O CYS A 47 -3.431 -2.433 1.511 1.00 0.00 O ATOM 717 CB CYS A 47 -4.514 0.515 2.655 1.00 0.00 C ATOM 718 SG CYS A 47 -4.842 2.168 1.998 1.00 0.00 S ATOM 0 H CYS A 47 -6.900 -0.038 2.395 1.00 0.00 H new ATOM 0 HA CYS A 47 -4.699 -0.408 0.723 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -4.997 0.420 3.627 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -3.442 0.407 2.820 1.00 0.00 H new ATOM 0 HG CYS A 47 -4.093 3.035 2.611 1.00 0.00 H new ATOM 724 N LYS A 48 -4.807 -2.488 3.290 1.00 0.00 N ATOM 725 CA LYS A 48 -4.271 -3.741 3.805 1.00 0.00 C ATOM 726 C LYS A 48 -4.578 -4.896 2.857 1.00 0.00 C ATOM 727 O LYS A 48 -3.712 -5.720 2.567 1.00 0.00 O ATOM 728 CB LYS A 48 -4.851 -4.037 5.190 1.00 0.00 C ATOM 729 CG LYS A 48 -3.989 -4.969 6.025 1.00 0.00 C ATOM 730 CD LYS A 48 -4.136 -4.684 7.510 1.00 0.00 C ATOM 731 CE LYS A 48 -3.107 -5.449 8.329 1.00 0.00 C ATOM 732 NZ LYS A 48 -3.578 -5.695 9.720 1.00 0.00 N ATOM 0 H LYS A 48 -5.557 -2.088 3.853 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.189 -3.638 3.885 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.982 -3.098 5.728 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.841 -4.478 5.073 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.268 -6.003 5.823 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.944 -4.858 5.734 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.023 -3.615 7.689 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.139 -4.958 7.837 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.892 -6.401 7.844 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.173 -4.887 8.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.849 -6.218 10.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.759 -4.786 10.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.455 -6.253 9.696 1.00 0.00 H new ATOM 746 N ALA A 49 -5.816 -4.948 2.377 1.00 0.00 N ATOM 747 CA ALA A 49 -6.236 -5.999 1.458 1.00 0.00 C ATOM 748 C ALA A 49 -5.446 -5.937 0.155 1.00 0.00 C ATOM 749 O ALA A 49 -4.716 -6.869 -0.184 1.00 0.00 O ATOM 750 CB ALA A 49 -7.728 -5.891 1.179 1.00 0.00 C ATOM 0 H ALA A 49 -6.546 -4.274 2.609 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.034 -6.961 1.929 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.028 -6.682 0.491 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.281 -5.993 2.113 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.945 -4.921 0.733 1.00 0.00 H new ATOM 756 N ARG A 50 -5.597 -4.835 -0.571 1.00 0.00 N ATOM 757 CA ARG A 50 -4.899 -4.653 -1.838 1.00 0.00 C ATOM 758 C ARG A 50 -3.420 -4.997 -1.698 1.00 0.00 C ATOM 759 O ARG A 50 -2.830 -5.618 -2.583 1.00 0.00 O ATOM 760 CB ARG A 50 -5.054 -3.212 -2.328 1.00 0.00 C ATOM 761 CG ARG A 50 -4.069 -2.831 -3.421 1.00 0.00 C ATOM 762 CD ARG A 50 -4.195 -3.746 -4.629 1.00 0.00 C ATOM 763 NE ARG A 50 -3.732 -3.102 -5.855 1.00 0.00 N ATOM 764 CZ ARG A 50 -3.992 -3.566 -7.072 1.00 0.00 C ATOM 765 NH1 ARG A 50 -4.709 -4.670 -7.225 1.00 0.00 N ATOM 766 NH2 ARG A 50 -3.536 -2.923 -8.139 1.00 0.00 N ATOM 0 H ARG A 50 -6.197 -4.054 -0.304 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.344 -5.328 -2.569 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -6.069 -3.071 -2.700 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.927 -2.534 -1.484 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -4.243 -1.799 -3.725 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.053 -2.881 -3.030 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.618 -4.655 -4.457 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.236 -4.047 -4.749 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.179 -2.249 -5.772 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.063 -5.166 -6.407 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.907 -5.024 -8.161 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.985 -2.072 -8.025 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.736 -3.280 -9.073 1.00 0.00 H new ATOM 780 N TRP A 51 -2.826 -4.590 -0.582 1.00 0.00 N ATOM 781 CA TRP A 51 -1.415 -4.855 -0.327 1.00 0.00 C ATOM 782 C TRP A 51 -1.156 -6.353 -0.204 1.00 0.00 C ATOM 783 O TRP A 51 -0.560 -6.964 -1.092 1.00 0.00 O ATOM 784 CB TRP A 51 -0.963 -4.141 0.948 1.00 0.00 C ATOM 785 CG TRP A 51 0.370 -4.608 1.451 1.00 0.00 C ATOM 786 CD1 TRP A 51 0.598 -5.525 2.437 1.00 0.00 C ATOM 787 CD2 TRP A 51 1.657 -4.180 0.992 1.00 0.00 C ATOM 788 NE1 TRP A 51 1.950 -5.692 2.619 1.00 0.00 N ATOM 789 CE2 TRP A 51 2.621 -4.879 1.744 1.00 0.00 C ATOM 790 CE3 TRP A 51 2.088 -3.276 0.018 1.00 0.00 C ATOM 791 CZ2 TRP A 51 3.988 -4.700 1.552 1.00 0.00 C ATOM 792 CZ3 TRP A 51 3.446 -3.099 -0.172 1.00 0.00 C ATOM 793 CH2 TRP A 51 4.382 -3.809 0.591 1.00 0.00 C ATOM 0 H TRP A 51 -3.299 -4.075 0.161 1.00 0.00 H new ATOM 0 HA TRP A 51 -0.841 -4.474 -1.172 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -0.916 -3.069 0.758 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -1.711 -4.294 1.726 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -0.171 -6.043 2.992 1.00 0.00 H new ATOM 0 HE1 TRP A 51 2.384 -6.320 3.296 1.00 0.00 H new ATOM 0 HE3 TRP A 51 1.373 -2.725 -0.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.712 -5.245 2.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.791 -2.402 -0.921 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.436 -3.650 0.417 1.00 0.00 H new ATOM 804 N TYR A 52 -1.607 -6.938 0.899 1.00 0.00 N ATOM 805 CA TYR A 52 -1.421 -8.365 1.138 1.00 0.00 C ATOM 806 C TYR A 52 -2.003 -9.189 -0.007 1.00 0.00 C ATOM 807 O TYR A 52 -1.654 -10.355 -0.185 1.00 0.00 O ATOM 808 CB TYR A 52 -2.078 -8.772 2.458 1.00 0.00 C ATOM 809 CG TYR A 52 -1.230 -8.471 3.674 1.00 0.00 C ATOM 810 CD1 TYR A 52 -0.099 -9.224 3.960 1.00 0.00 C ATOM 811 CD2 TYR A 52 -1.561 -7.431 4.535 1.00 0.00 C ATOM 812 CE1 TYR A 52 0.678 -8.953 5.070 1.00 0.00 C ATOM 813 CE2 TYR A 52 -0.789 -7.152 5.646 1.00 0.00 C ATOM 814 CZ TYR A 52 0.329 -7.915 5.910 1.00 0.00 C ATOM 815 OH TYR A 52 1.100 -7.641 7.016 1.00 0.00 O ATOM 0 H TYR A 52 -2.104 -6.447 1.642 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.350 -8.561 1.196 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.033 -8.255 2.554 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.295 -9.840 2.432 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.178 -10.036 3.304 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.436 -6.831 4.332 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.553 -9.550 5.279 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.060 -6.340 6.305 1.00 0.00 H new ATOM 0 HH TYR A 52 0.718 -6.880 7.501 1.00 0.00 H new ATOM 825 N GLU A 53 -2.891 -8.572 -0.781 1.00 0.00 N ATOM 826 CA GLU A 53 -3.521 -9.248 -1.908 1.00 0.00 C ATOM 827 C GLU A 53 -2.495 -9.569 -2.992 1.00 0.00 C ATOM 828 O GLU A 53 -2.332 -10.724 -3.384 1.00 0.00 O ATOM 829 CB GLU A 53 -4.640 -8.381 -2.490 1.00 0.00 C ATOM 830 CG GLU A 53 -5.997 -8.633 -1.855 1.00 0.00 C ATOM 831 CD GLU A 53 -6.773 -9.734 -2.552 1.00 0.00 C ATOM 832 OE1 GLU A 53 -6.700 -9.815 -3.796 1.00 0.00 O ATOM 833 OE2 GLU A 53 -7.452 -10.515 -1.853 1.00 0.00 O ATOM 0 H GLU A 53 -3.190 -7.606 -0.648 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.947 -10.184 -1.546 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.378 -7.331 -2.363 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.710 -8.564 -3.562 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.860 -8.898 -0.807 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.581 -7.713 -1.877 1.00 0.00 H new ATOM 840 N TRP A 54 -1.809 -8.538 -3.472 1.00 0.00 N ATOM 841 CA TRP A 54 -0.800 -8.710 -4.511 1.00 0.00 C ATOM 842 C TRP A 54 0.520 -8.068 -4.099 1.00 0.00 C ATOM 843 O TRP A 54 1.593 -8.630 -4.327 1.00 0.00 O ATOM 844 CB TRP A 54 -1.286 -8.103 -5.828 1.00 0.00 C ATOM 845 CG TRP A 54 -2.777 -8.140 -5.984 1.00 0.00 C ATOM 846 CD1 TRP A 54 -3.629 -7.072 -5.970 1.00 0.00 C ATOM 847 CD2 TRP A 54 -3.590 -9.302 -6.175 1.00 0.00 C ATOM 848 NE1 TRP A 54 -4.923 -7.502 -6.141 1.00 0.00 N ATOM 849 CE2 TRP A 54 -4.926 -8.865 -6.270 1.00 0.00 C ATOM 850 CE3 TRP A 54 -3.320 -10.670 -6.278 1.00 0.00 C ATOM 851 CZ2 TRP A 54 -5.986 -9.748 -6.461 1.00 0.00 C ATOM 852 CZ3 TRP A 54 -4.373 -11.544 -6.467 1.00 0.00 C ATOM 853 CH2 TRP A 54 -5.692 -11.081 -6.558 1.00 0.00 C ATOM 0 H TRP A 54 -1.933 -7.575 -3.159 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.636 -9.779 -4.650 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.947 -7.069 -5.890 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.827 -8.640 -6.658 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.330 -6.042 -5.843 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.748 -6.903 -6.168 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.306 -11.037 -6.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -7.004 -9.393 -6.530 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -4.176 -12.603 -6.546 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -6.493 -11.790 -6.708 1.00 0.00 H new ATOM 864 N LEU A 55 0.436 -6.889 -3.492 1.00 0.00 N ATOM 865 CA LEU A 55 1.626 -6.171 -3.047 1.00 0.00 C ATOM 866 C LEU A 55 2.117 -6.709 -1.707 1.00 0.00 C ATOM 867 O LEU A 55 1.691 -6.248 -0.648 1.00 0.00 O ATOM 868 CB LEU A 55 1.329 -4.675 -2.932 1.00 0.00 C ATOM 869 CG LEU A 55 0.265 -4.126 -3.884 1.00 0.00 C ATOM 870 CD1 LEU A 55 0.093 -2.628 -3.686 1.00 0.00 C ATOM 871 CD2 LEU A 55 0.631 -4.437 -5.328 1.00 0.00 C ATOM 0 H LEU A 55 -0.443 -6.410 -3.297 1.00 0.00 H new ATOM 0 HA LEU A 55 2.411 -6.323 -3.788 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.016 -4.465 -1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.256 -4.127 -3.101 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.684 -4.612 -3.658 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.668 -2.255 -4.372 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.215 -2.430 -2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.039 -2.124 -3.885 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.137 -4.039 -5.992 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.590 -3.978 -5.567 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.702 -5.517 -5.461 1.00 0.00 H new ATOM 883 N ASP A 56 3.018 -7.684 -1.762 1.00 0.00 N ATOM 884 CA ASP A 56 3.571 -8.282 -0.552 1.00 0.00 C ATOM 885 C ASP A 56 4.686 -9.266 -0.893 1.00 0.00 C ATOM 886 O ASP A 56 4.611 -10.013 -1.869 1.00 0.00 O ATOM 887 CB ASP A 56 2.472 -8.992 0.240 1.00 0.00 C ATOM 888 CG ASP A 56 3.024 -9.821 1.382 1.00 0.00 C ATOM 889 OD1 ASP A 56 3.344 -11.007 1.154 1.00 0.00 O ATOM 890 OD2 ASP A 56 3.137 -9.285 2.505 1.00 0.00 O ATOM 0 H ASP A 56 3.381 -8.077 -2.631 1.00 0.00 H new ATOM 0 HA ASP A 56 3.990 -7.483 0.060 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.777 -8.251 0.636 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.903 -9.636 -0.431 1.00 0.00 H new ATOM 895 N PRO A 57 5.746 -9.267 -0.072 1.00 0.00 N ATOM 896 CA PRO A 57 6.897 -10.153 -0.266 1.00 0.00 C ATOM 897 C PRO A 57 6.558 -11.614 0.011 1.00 0.00 C ATOM 898 O PRO A 57 6.839 -12.492 -0.804 1.00 0.00 O ATOM 899 CB PRO A 57 7.917 -9.639 0.752 1.00 0.00 C ATOM 900 CG PRO A 57 7.099 -8.986 1.812 1.00 0.00 C ATOM 901 CD PRO A 57 5.903 -8.403 1.111 1.00 0.00 C ATOM 0 HA PRO A 57 7.255 -10.135 -1.295 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.515 -10.454 1.159 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.610 -8.933 0.296 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.794 -9.708 2.570 1.00 0.00 H new ATOM 0 HG3 PRO A 57 7.669 -8.210 2.322 1.00 0.00 H new ATOM 0 HD2 PRO A 57 5.016 -8.424 1.744 1.00 0.00 H new ATOM 0 HD3 PRO A 57 6.069 -7.363 0.830 1.00 0.00 H new ATOM 909 N SER A 58 5.951 -11.866 1.166 1.00 0.00 N ATOM 910 CA SER A 58 5.576 -13.222 1.552 1.00 0.00 C ATOM 911 C SER A 58 4.980 -13.978 0.369 1.00 0.00 C ATOM 912 O SER A 58 5.237 -15.169 0.187 1.00 0.00 O ATOM 913 CB SER A 58 4.574 -13.187 2.707 1.00 0.00 C ATOM 914 OG SER A 58 4.403 -14.474 3.274 1.00 0.00 O ATOM 0 H SER A 58 5.708 -11.150 1.851 1.00 0.00 H new ATOM 0 HA SER A 58 6.476 -13.743 1.877 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.921 -12.492 3.472 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.615 -12.814 2.349 1.00 0.00 H new ATOM 0 HG SER A 58 3.759 -14.424 4.011 1.00 0.00 H new ATOM 920 N ILE A 59 4.184 -13.279 -0.432 1.00 0.00 N ATOM 921 CA ILE A 59 3.552 -13.883 -1.598 1.00 0.00 C ATOM 922 C ILE A 59 4.522 -14.800 -2.335 1.00 0.00 C ATOM 923 O ILE A 59 5.718 -14.521 -2.416 1.00 0.00 O ATOM 924 CB ILE A 59 3.033 -12.812 -2.575 1.00 0.00 C ATOM 925 CG1 ILE A 59 2.029 -11.895 -1.874 1.00 0.00 C ATOM 926 CG2 ILE A 59 2.398 -13.469 -3.792 1.00 0.00 C ATOM 927 CD1 ILE A 59 1.573 -10.733 -2.729 1.00 0.00 C ATOM 0 H ILE A 59 3.961 -12.293 -0.295 1.00 0.00 H new ATOM 0 HA ILE A 59 2.708 -14.468 -1.232 1.00 0.00 H new ATOM 0 HB ILE A 59 3.876 -12.208 -2.910 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.159 -12.481 -1.578 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.479 -11.508 -0.960 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.036 -12.699 -4.474 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.139 -14.085 -4.301 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.563 -14.094 -3.474 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.863 -10.125 -2.168 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.434 -10.124 -3.004 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.093 -11.112 -3.632 1.00 0.00 H new ATOM 939 N LYS A 60 3.998 -15.896 -2.874 1.00 0.00 N ATOM 940 CA LYS A 60 4.815 -16.854 -3.608 1.00 0.00 C ATOM 941 C LYS A 60 5.031 -16.396 -5.047 1.00 0.00 C ATOM 942 O LYS A 60 4.309 -16.808 -5.955 1.00 0.00 O ATOM 943 CB LYS A 60 4.155 -18.235 -3.595 1.00 0.00 C ATOM 944 CG LYS A 60 3.953 -18.799 -2.199 1.00 0.00 C ATOM 945 CD LYS A 60 5.264 -19.275 -1.595 1.00 0.00 C ATOM 946 CE LYS A 60 5.712 -20.595 -2.204 1.00 0.00 C ATOM 947 NZ LYS A 60 7.148 -20.875 -1.925 1.00 0.00 N ATOM 0 H LYS A 60 3.010 -16.143 -2.816 1.00 0.00 H new ATOM 0 HA LYS A 60 5.785 -16.917 -3.116 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.189 -18.171 -4.096 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.768 -18.927 -4.172 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.512 -18.036 -1.558 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.247 -19.629 -2.239 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.034 -18.520 -1.754 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.148 -19.391 -0.517 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.100 -21.405 -1.806 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.549 -20.572 -3.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.415 -21.783 -2.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.734 -20.115 -2.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.299 -20.923 -0.897 1.00 0.00 H new ATOM 961 N LYS A 61 6.029 -15.543 -5.248 1.00 0.00 N ATOM 962 CA LYS A 61 6.343 -15.030 -6.576 1.00 0.00 C ATOM 963 C LYS A 61 7.691 -14.318 -6.581 1.00 0.00 C ATOM 964 O LYS A 61 8.370 -14.245 -5.556 1.00 0.00 O ATOM 965 CB LYS A 61 5.246 -14.073 -7.048 1.00 0.00 C ATOM 966 CG LYS A 61 4.671 -13.213 -5.936 1.00 0.00 C ATOM 967 CD LYS A 61 5.425 -11.901 -5.799 1.00 0.00 C ATOM 968 CE LYS A 61 4.840 -10.825 -6.701 1.00 0.00 C ATOM 969 NZ LYS A 61 5.724 -9.630 -6.784 1.00 0.00 N ATOM 0 H LYS A 61 6.635 -15.192 -4.507 1.00 0.00 H new ATOM 0 HA LYS A 61 6.398 -15.876 -7.261 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.650 -13.425 -7.825 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.441 -14.651 -7.502 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.619 -13.010 -6.139 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.714 -13.759 -4.993 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.390 -11.567 -4.762 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.475 -12.056 -6.049 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.686 -11.233 -7.700 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.862 -10.527 -6.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.290 -8.920 -7.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.851 -9.225 -5.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.649 -9.909 -7.168 1.00 0.00 H new ATOM 983 N THR A 62 8.074 -13.791 -7.740 1.00 0.00 N ATOM 984 CA THR A 62 9.340 -13.084 -7.877 1.00 0.00 C ATOM 985 C THR A 62 9.123 -11.656 -8.365 1.00 0.00 C ATOM 986 O THR A 62 8.578 -11.436 -9.446 1.00 0.00 O ATOM 987 CB THR A 62 10.286 -13.809 -8.853 1.00 0.00 C ATOM 988 OG1 THR A 62 11.575 -13.186 -8.840 1.00 0.00 O ATOM 989 CG2 THR A 62 9.723 -13.791 -10.266 1.00 0.00 C ATOM 0 H THR A 62 7.524 -13.841 -8.598 1.00 0.00 H new ATOM 0 HA THR A 62 9.797 -13.062 -6.888 1.00 0.00 H new ATOM 0 HB THR A 62 10.381 -14.846 -8.530 1.00 0.00 H new ATOM 0 HG1 THR A 62 12.171 -13.654 -9.462 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.408 -14.309 -10.937 1.00 0.00 H new ATOM 0 HG22 THR A 62 8.755 -14.292 -10.278 1.00 0.00 H new ATOM 0 HG23 THR A 62 9.602 -12.759 -10.596 1.00 0.00 H new ATOM 997 N GLU A 63 9.553 -10.689 -7.561 1.00 0.00 N ATOM 998 CA GLU A 63 9.404 -9.281 -7.912 1.00 0.00 C ATOM 999 C GLU A 63 10.333 -8.907 -9.064 1.00 0.00 C ATOM 1000 O GLU A 63 11.443 -9.428 -9.175 1.00 0.00 O ATOM 1001 CB GLU A 63 9.697 -8.396 -6.699 1.00 0.00 C ATOM 1002 CG GLU A 63 8.506 -8.220 -5.773 1.00 0.00 C ATOM 1003 CD GLU A 63 8.815 -7.326 -4.588 1.00 0.00 C ATOM 1004 OE1 GLU A 63 9.685 -6.441 -4.723 1.00 0.00 O ATOM 1005 OE2 GLU A 63 8.187 -7.513 -3.524 1.00 0.00 O ATOM 0 H GLU A 63 10.007 -10.854 -6.663 1.00 0.00 H new ATOM 0 HA GLU A 63 8.374 -9.119 -8.230 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.524 -8.828 -6.136 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.025 -7.416 -7.045 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.673 -7.797 -6.335 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.184 -9.197 -5.412 1.00 0.00 H new ATOM 1012 N TRP A 64 9.869 -8.003 -9.919 1.00 0.00 N ATOM 1013 CA TRP A 64 10.657 -7.559 -11.064 1.00 0.00 C ATOM 1014 C TRP A 64 12.096 -7.266 -10.653 1.00 0.00 C ATOM 1015 O TRP A 64 13.040 -7.699 -11.314 1.00 0.00 O ATOM 1016 CB TRP A 64 10.029 -6.313 -11.690 1.00 0.00 C ATOM 1017 CG TRP A 64 8.726 -6.587 -12.379 1.00 0.00 C ATOM 1018 CD1 TRP A 64 8.543 -7.292 -13.535 1.00 0.00 C ATOM 1019 CD2 TRP A 64 7.427 -6.160 -11.957 1.00 0.00 C ATOM 1020 NE1 TRP A 64 7.208 -7.329 -13.857 1.00 0.00 N ATOM 1021 CE2 TRP A 64 6.502 -6.643 -12.904 1.00 0.00 C ATOM 1022 CE3 TRP A 64 6.954 -5.420 -10.871 1.00 0.00 C ATOM 1023 CZ2 TRP A 64 5.134 -6.406 -12.796 1.00 0.00 C ATOM 1024 CZ3 TRP A 64 5.596 -5.185 -10.765 1.00 0.00 C ATOM 1025 CH2 TRP A 64 4.699 -5.678 -11.723 1.00 0.00 C ATOM 0 H TRP A 64 8.952 -7.563 -9.842 1.00 0.00 H new ATOM 0 HA TRP A 64 10.665 -8.362 -11.801 1.00 0.00 H new ATOM 0 HB2 TRP A 64 9.871 -5.565 -10.913 1.00 0.00 H new ATOM 0 HB3 TRP A 64 10.728 -5.884 -12.408 1.00 0.00 H new ATOM 0 HD1 TRP A 64 9.332 -7.753 -14.111 1.00 0.00 H new ATOM 0 HE1 TRP A 64 6.807 -7.792 -14.673 1.00 0.00 H new ATOM 0 HE3 TRP A 64 7.637 -5.038 -10.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 4.441 -6.784 -13.533 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 5.220 -4.612 -9.930 1.00 0.00 H new ATOM 0 HH2 TRP A 64 3.643 -5.479 -11.611 1.00 0.00 H new ATOM 1036 N SER A 65 12.256 -6.528 -9.560 1.00 0.00 N ATOM 1037 CA SER A 65 13.581 -6.174 -9.063 1.00 0.00 C ATOM 1038 C SER A 65 13.512 -5.711 -7.611 1.00 0.00 C ATOM 1039 O SER A 65 12.764 -4.794 -7.276 1.00 0.00 O ATOM 1040 CB SER A 65 14.198 -5.076 -9.932 1.00 0.00 C ATOM 1041 OG SER A 65 15.436 -4.639 -9.399 1.00 0.00 O ATOM 0 H SER A 65 11.485 -6.163 -9.001 1.00 0.00 H new ATOM 0 HA SER A 65 14.210 -7.063 -9.112 1.00 0.00 H new ATOM 0 HB2 SER A 65 14.346 -5.450 -10.945 1.00 0.00 H new ATOM 0 HB3 SER A 65 13.510 -4.233 -10.001 1.00 0.00 H new ATOM 0 HG SER A 65 15.810 -3.939 -9.973 1.00 0.00 H new ATOM 1047 N GLY A 66 14.298 -6.354 -6.753 1.00 0.00 N ATOM 1048 CA GLY A 66 14.312 -5.995 -5.347 1.00 0.00 C ATOM 1049 C GLY A 66 14.644 -7.172 -4.452 1.00 0.00 C ATOM 1050 O GLY A 66 15.810 -7.488 -4.213 1.00 0.00 O ATOM 0 H GLY A 66 14.925 -7.117 -7.007 1.00 0.00 H new ATOM 0 HA2 GLY A 66 15.042 -5.202 -5.185 1.00 0.00 H new ATOM 0 HA3 GLY A 66 13.338 -5.594 -5.068 1.00 0.00 H new ATOM 1054 N PRO A 67 13.602 -7.842 -3.937 1.00 0.00 N ATOM 1055 CA PRO A 67 13.764 -9.000 -3.054 1.00 0.00 C ATOM 1056 C PRO A 67 14.310 -10.219 -3.790 1.00 0.00 C ATOM 1057 O PRO A 67 14.568 -10.166 -4.992 1.00 0.00 O ATOM 1058 CB PRO A 67 12.342 -9.269 -2.556 1.00 0.00 C ATOM 1059 CG PRO A 67 11.458 -8.710 -3.617 1.00 0.00 C ATOM 1060 CD PRO A 67 12.186 -7.520 -4.179 1.00 0.00 C ATOM 0 HA PRO A 67 14.480 -8.806 -2.256 1.00 0.00 H new ATOM 0 HB2 PRO A 67 12.167 -10.336 -2.416 1.00 0.00 H new ATOM 0 HB3 PRO A 67 12.161 -8.787 -1.595 1.00 0.00 H new ATOM 0 HG2 PRO A 67 11.263 -9.450 -4.393 1.00 0.00 H new ATOM 0 HG3 PRO A 67 10.492 -8.418 -3.206 1.00 0.00 H new ATOM 0 HD2 PRO A 67 11.980 -7.387 -5.241 1.00 0.00 H new ATOM 0 HD3 PRO A 67 11.893 -6.597 -3.680 1.00 0.00 H new ATOM 1068 N SER A 68 14.484 -11.316 -3.061 1.00 0.00 N ATOM 1069 CA SER A 68 15.002 -12.548 -3.644 1.00 0.00 C ATOM 1070 C SER A 68 16.148 -12.253 -4.607 1.00 0.00 C ATOM 1071 O SER A 68 16.230 -12.834 -5.689 1.00 0.00 O ATOM 1072 CB SER A 68 13.888 -13.300 -4.375 1.00 0.00 C ATOM 1073 OG SER A 68 13.376 -12.533 -5.451 1.00 0.00 O ATOM 0 H SER A 68 14.274 -11.377 -2.065 1.00 0.00 H new ATOM 0 HA SER A 68 15.381 -13.172 -2.835 1.00 0.00 H new ATOM 0 HB2 SER A 68 14.271 -14.249 -4.751 1.00 0.00 H new ATOM 0 HB3 SER A 68 13.085 -13.535 -3.677 1.00 0.00 H new ATOM 0 HG SER A 68 13.925 -11.730 -5.571 1.00 0.00 H new ATOM 1079 N SER A 69 17.031 -11.344 -4.206 1.00 0.00 N ATOM 1080 CA SER A 69 18.170 -10.967 -5.034 1.00 0.00 C ATOM 1081 C SER A 69 19.348 -11.908 -4.798 1.00 0.00 C ATOM 1082 O SER A 69 19.605 -12.330 -3.671 1.00 0.00 O ATOM 1083 CB SER A 69 18.588 -9.525 -4.738 1.00 0.00 C ATOM 1084 OG SER A 69 19.845 -9.229 -5.321 1.00 0.00 O ATOM 0 H SER A 69 16.979 -10.855 -3.312 1.00 0.00 H new ATOM 0 HA SER A 69 17.869 -11.044 -6.079 1.00 0.00 H new ATOM 0 HB2 SER A 69 17.834 -8.838 -5.123 1.00 0.00 H new ATOM 0 HB3 SER A 69 18.638 -9.372 -3.660 1.00 0.00 H new ATOM 0 HG SER A 69 20.089 -8.302 -5.119 1.00 0.00 H new ATOM 1090 N GLY A 70 20.061 -12.234 -5.872 1.00 0.00 N ATOM 1091 CA GLY A 70 21.203 -13.123 -5.763 1.00 0.00 C ATOM 1092 C GLY A 70 20.804 -14.534 -5.377 1.00 0.00 C ATOM 1093 O GLY A 70 21.160 -15.015 -4.301 1.00 0.00 O ATOM 0 H GLY A 70 19.868 -11.898 -6.816 1.00 0.00 H new ATOM 0 HA2 GLY A 70 21.734 -13.146 -6.715 1.00 0.00 H new ATOM 0 HA3 GLY A 70 21.897 -12.729 -5.021 1.00 0.00 H new TER 1097 GLY A 70