USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=22 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 Set 1.1: A 42 LYS NZ :NH3+ -166:sc= -3.66! (180deg=0.503) USER MOD Set 1.2: A 46 GLN : amide:sc= -9.16! C(o=-13!,f=-4.9!) USER MOD Single : A 1 GLY N :NH3+ -133:sc= 0.0141 (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+ -135:sc= -0.249 (180deg=-1.75!) USER MOD Single : A 14 ASN : amide:sc= -3.36! K(o=-3.4!,f=-2) USER MOD Single : A 15 THR OG1 : rot 105:sc= 0.0553 USER MOD Single : A 21 LYS NZ :NH3+ -144:sc= -3.62! (180deg=-5.35!) USER MOD Single : A 25 MET CE :methyl 159:sc= 0 (180deg=-0.105) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 165:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -153:sc= -0.242 (180deg=-0.628) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= -0.525 K(o=-0.52,f=-1.5) USER MOD Single : A 33 SER OG : rot 180:sc= -0.0315 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -3.89! K(o=-3.9!,f=-1.5) USER MOD Single : A 43 SER OG : rot 180:sc=-0.00127 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 CYS SG : rot 79:sc= -1.59 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 -4:sc= 0.679 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.125 7.427 -11.420 1.00 0.00 N ATOM 2 CA GLY A 1 -17.722 6.151 -11.983 1.00 0.00 C ATOM 3 C GLY A 1 -18.528 5.778 -13.211 1.00 0.00 C ATOM 4 O GLY A 1 -18.891 6.642 -14.010 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.281 8.001 -11.222 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.734 7.929 -12.098 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.649 7.266 -10.536 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.665 6.191 -12.245 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.835 5.373 -11.228 1.00 0.00 H new ATOM 8 N SER A 2 -18.809 4.488 -13.364 1.00 0.00 N ATOM 9 CA SER A 2 -19.573 4.002 -14.507 1.00 0.00 C ATOM 10 C SER A 2 -20.690 3.066 -14.055 1.00 0.00 C ATOM 11 O SER A 2 -20.784 2.716 -12.879 1.00 0.00 O ATOM 12 CB SER A 2 -18.653 3.278 -15.492 1.00 0.00 C ATOM 13 OG SER A 2 -18.010 2.177 -14.874 1.00 0.00 O ATOM 0 H SER A 2 -18.519 3.760 -12.711 1.00 0.00 H new ATOM 0 HA SER A 2 -20.022 4.862 -15.005 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.232 2.931 -16.348 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.905 3.973 -15.874 1.00 0.00 H new ATOM 0 HG SER A 2 -17.429 1.730 -15.525 1.00 0.00 H new ATOM 19 N SER A 3 -21.535 2.664 -14.999 1.00 0.00 N ATOM 20 CA SER A 3 -22.648 1.771 -14.699 1.00 0.00 C ATOM 21 C SER A 3 -22.248 0.314 -14.909 1.00 0.00 C ATOM 22 O SER A 3 -21.964 -0.108 -16.029 1.00 0.00 O ATOM 23 CB SER A 3 -23.854 2.113 -15.577 1.00 0.00 C ATOM 24 OG SER A 3 -25.045 1.559 -15.045 1.00 0.00 O ATOM 0 H SER A 3 -21.470 2.943 -15.978 1.00 0.00 H new ATOM 0 HA SER A 3 -22.919 1.907 -13.652 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.956 3.195 -15.655 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.692 1.734 -16.586 1.00 0.00 H new ATOM 0 HG SER A 3 -25.801 1.793 -15.623 1.00 0.00 H new ATOM 30 N GLY A 4 -22.228 -0.450 -13.822 1.00 0.00 N ATOM 31 CA GLY A 4 -21.862 -1.852 -13.907 1.00 0.00 C ATOM 32 C GLY A 4 -20.801 -2.236 -12.895 1.00 0.00 C ATOM 33 O GLY A 4 -20.971 -3.194 -12.140 1.00 0.00 O ATOM 0 H GLY A 4 -22.459 -0.124 -12.884 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.749 -2.466 -13.750 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.498 -2.069 -14.911 1.00 0.00 H new ATOM 37 N SER A 5 -19.701 -1.489 -12.880 1.00 0.00 N ATOM 38 CA SER A 5 -18.605 -1.760 -11.957 1.00 0.00 C ATOM 39 C SER A 5 -18.995 -1.393 -10.529 1.00 0.00 C ATOM 40 O SER A 5 -18.664 -0.312 -10.042 1.00 0.00 O ATOM 41 CB SER A 5 -17.356 -0.982 -12.374 1.00 0.00 C ATOM 42 OG SER A 5 -16.188 -1.553 -11.810 1.00 0.00 O ATOM 0 H SER A 5 -19.545 -0.692 -13.497 1.00 0.00 H new ATOM 0 HA SER A 5 -18.387 -2.827 -11.992 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.273 -0.976 -13.461 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.447 0.056 -12.056 1.00 0.00 H new ATOM 0 HG SER A 5 -15.403 -1.039 -12.093 1.00 0.00 H new ATOM 48 N SER A 6 -19.700 -2.301 -9.862 1.00 0.00 N ATOM 49 CA SER A 6 -20.138 -2.073 -8.490 1.00 0.00 C ATOM 50 C SER A 6 -19.311 -2.900 -7.511 1.00 0.00 C ATOM 51 O SER A 6 -18.667 -3.876 -7.894 1.00 0.00 O ATOM 52 CB SER A 6 -21.621 -2.419 -8.342 1.00 0.00 C ATOM 53 OG SER A 6 -22.439 -1.314 -8.688 1.00 0.00 O ATOM 0 H SER A 6 -19.980 -3.202 -10.250 1.00 0.00 H new ATOM 0 HA SER A 6 -19.993 -1.018 -8.259 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.865 -3.269 -8.979 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.827 -2.720 -7.315 1.00 0.00 H new ATOM 0 HG SER A 6 -23.382 -1.561 -8.587 1.00 0.00 H new ATOM 59 N GLY A 7 -19.335 -2.501 -6.242 1.00 0.00 N ATOM 60 CA GLY A 7 -18.584 -3.215 -5.226 1.00 0.00 C ATOM 61 C GLY A 7 -18.252 -2.344 -4.031 1.00 0.00 C ATOM 62 O GLY A 7 -18.351 -1.119 -4.100 1.00 0.00 O ATOM 0 H GLY A 7 -19.861 -1.697 -5.900 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.159 -4.079 -4.893 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.660 -3.596 -5.662 1.00 0.00 H new ATOM 66 N LYS A 8 -17.858 -2.976 -2.931 1.00 0.00 N ATOM 67 CA LYS A 8 -17.511 -2.252 -1.714 1.00 0.00 C ATOM 68 C LYS A 8 -16.075 -1.741 -1.777 1.00 0.00 C ATOM 69 O LYS A 8 -15.798 -0.595 -1.425 1.00 0.00 O ATOM 70 CB LYS A 8 -17.690 -3.154 -0.491 1.00 0.00 C ATOM 71 CG LYS A 8 -17.435 -2.446 0.829 1.00 0.00 C ATOM 72 CD LYS A 8 -18.016 -3.222 1.999 1.00 0.00 C ATOM 73 CE LYS A 8 -17.223 -4.491 2.274 1.00 0.00 C ATOM 74 NZ LYS A 8 -17.659 -5.617 1.403 1.00 0.00 N ATOM 0 H LYS A 8 -17.771 -3.990 -2.857 1.00 0.00 H new ATOM 0 HA LYS A 8 -18.180 -1.396 -1.626 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -18.704 -3.553 -0.490 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -17.013 -4.004 -0.575 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -16.362 -2.318 0.973 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -17.874 -1.449 0.799 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -18.018 -2.593 2.889 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -19.054 -3.479 1.787 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -16.162 -4.298 2.114 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -17.342 -4.774 3.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -17.757 -6.480 1.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -18.574 -5.385 0.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -16.951 -5.774 0.658 1.00 0.00 H new ATOM 88 N GLY A 9 -15.165 -2.598 -2.229 1.00 0.00 N ATOM 89 CA GLY A 9 -13.769 -2.214 -2.330 1.00 0.00 C ATOM 90 C GLY A 9 -12.979 -3.135 -3.238 1.00 0.00 C ATOM 91 O GLY A 9 -12.482 -4.172 -2.801 1.00 0.00 O ATOM 0 H GLY A 9 -15.370 -3.552 -2.527 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -13.702 -1.193 -2.706 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -13.322 -2.217 -1.336 1.00 0.00 H new ATOM 95 N GLY A 10 -12.863 -2.756 -4.508 1.00 0.00 N ATOM 96 CA GLY A 10 -12.128 -3.568 -5.460 1.00 0.00 C ATOM 97 C GLY A 10 -11.715 -2.786 -6.690 1.00 0.00 C ATOM 98 O GLY A 10 -12.331 -2.907 -7.749 1.00 0.00 O ATOM 0 H GLY A 10 -13.265 -1.902 -4.894 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.240 -3.975 -4.977 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -12.743 -4.416 -5.762 1.00 0.00 H new ATOM 102 N VAL A 11 -10.668 -1.978 -6.552 1.00 0.00 N ATOM 103 CA VAL A 11 -10.172 -1.172 -7.661 1.00 0.00 C ATOM 104 C VAL A 11 -8.896 -0.433 -7.276 1.00 0.00 C ATOM 105 O VAL A 11 -8.764 0.056 -6.154 1.00 0.00 O ATOM 106 CB VAL A 11 -11.225 -0.148 -8.125 1.00 0.00 C ATOM 107 CG1 VAL A 11 -11.611 0.777 -6.981 1.00 0.00 C ATOM 108 CG2 VAL A 11 -10.706 0.648 -9.314 1.00 0.00 C ATOM 0 H VAL A 11 -10.147 -1.864 -5.683 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.957 -1.858 -8.480 1.00 0.00 H new ATOM 0 HB VAL A 11 -12.118 -0.688 -8.440 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -12.356 1.493 -7.328 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -12.026 0.189 -6.162 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.728 1.312 -6.632 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.463 1.367 -9.629 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.798 1.179 -9.028 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.485 -0.031 -10.138 1.00 0.00 H new ATOM 118 N TRP A 12 -7.959 -0.355 -8.214 1.00 0.00 N ATOM 119 CA TRP A 12 -6.691 0.326 -7.973 1.00 0.00 C ATOM 120 C TRP A 12 -6.059 0.779 -9.284 1.00 0.00 C ATOM 121 O TRP A 12 -6.330 0.213 -10.343 1.00 0.00 O ATOM 122 CB TRP A 12 -5.730 -0.594 -7.220 1.00 0.00 C ATOM 123 CG TRP A 12 -6.004 -0.663 -5.748 1.00 0.00 C ATOM 124 CD1 TRP A 12 -6.956 -1.419 -5.126 1.00 0.00 C ATOM 125 CD2 TRP A 12 -5.319 0.053 -4.714 1.00 0.00 C ATOM 126 NE1 TRP A 12 -6.905 -1.216 -3.768 1.00 0.00 N ATOM 127 CE2 TRP A 12 -5.908 -0.318 -3.490 1.00 0.00 C ATOM 128 CE3 TRP A 12 -4.264 0.969 -4.703 1.00 0.00 C ATOM 129 CZ2 TRP A 12 -5.478 0.198 -2.270 1.00 0.00 C ATOM 130 CZ3 TRP A 12 -3.838 1.480 -3.492 1.00 0.00 C ATOM 131 CH2 TRP A 12 -4.443 1.093 -2.289 1.00 0.00 C ATOM 0 H TRP A 12 -8.053 -0.754 -9.148 1.00 0.00 H new ATOM 0 HA TRP A 12 -6.890 1.208 -7.364 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -5.794 -1.597 -7.641 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -4.709 -0.247 -7.376 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -7.648 -2.080 -5.628 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -7.511 -1.661 -3.079 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -3.790 1.272 -5.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -5.945 -0.098 -1.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -3.025 2.190 -3.472 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -4.086 1.509 -1.359 1.00 0.00 H new ATOM 142 N ARG A 13 -5.214 1.803 -9.206 1.00 0.00 N ATOM 143 CA ARG A 13 -4.544 2.332 -10.388 1.00 0.00 C ATOM 144 C ARG A 13 -3.030 2.334 -10.198 1.00 0.00 C ATOM 145 O ARG A 13 -2.534 2.471 -9.081 1.00 0.00 O ATOM 146 CB ARG A 13 -5.034 3.750 -10.686 1.00 0.00 C ATOM 147 CG ARG A 13 -6.545 3.861 -10.801 1.00 0.00 C ATOM 148 CD ARG A 13 -6.951 4.968 -11.761 1.00 0.00 C ATOM 149 NE ARG A 13 -6.478 4.716 -13.119 1.00 0.00 N ATOM 150 CZ ARG A 13 -6.931 5.363 -14.187 1.00 0.00 C ATOM 151 NH1 ARG A 13 -7.864 6.296 -14.055 1.00 0.00 N ATOM 152 NH2 ARG A 13 -6.451 5.077 -15.391 1.00 0.00 N ATOM 0 H ARG A 13 -4.978 2.282 -8.337 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.786 1.687 -11.233 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.688 4.418 -9.897 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.581 4.094 -11.616 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.956 2.911 -11.144 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.972 4.056 -9.817 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.037 5.062 -11.767 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.551 5.918 -11.408 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.760 4.004 -13.255 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.236 6.518 -13.132 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.210 6.791 -14.877 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.734 4.360 -15.497 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.800 5.574 -16.210 1.00 0.00 H new ATOM 166 N ASN A 14 -2.301 2.182 -11.299 1.00 0.00 N ATOM 167 CA ASN A 14 -0.843 2.166 -11.254 1.00 0.00 C ATOM 168 C ASN A 14 -0.321 3.114 -10.179 1.00 0.00 C ATOM 169 O ASN A 14 0.414 2.707 -9.279 1.00 0.00 O ATOM 170 CB ASN A 14 -0.266 2.555 -12.617 1.00 0.00 C ATOM 171 CG ASN A 14 -0.993 3.732 -13.238 1.00 0.00 C ATOM 172 OD1 ASN A 14 -2.039 3.568 -13.866 1.00 0.00 O ATOM 173 ND2 ASN A 14 -0.441 4.927 -13.065 1.00 0.00 N ATOM 0 H ASN A 14 -2.696 2.068 -12.233 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.523 1.154 -11.007 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.790 2.802 -12.505 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.323 1.700 -13.290 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.885 5.756 -13.460 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.427 5.016 -12.537 1.00 0.00 H new ATOM 180 N THR A 15 -0.708 4.382 -10.278 1.00 0.00 N ATOM 181 CA THR A 15 -0.279 5.389 -9.315 1.00 0.00 C ATOM 182 C THR A 15 -0.613 4.964 -7.889 1.00 0.00 C ATOM 183 O THR A 15 0.281 4.731 -7.076 1.00 0.00 O ATOM 184 CB THR A 15 -0.936 6.753 -9.598 1.00 0.00 C ATOM 185 OG1 THR A 15 -2.349 6.592 -9.766 1.00 0.00 O ATOM 186 CG2 THR A 15 -0.342 7.391 -10.845 1.00 0.00 C ATOM 0 H THR A 15 -1.318 4.736 -11.015 1.00 0.00 H new ATOM 0 HA THR A 15 0.802 5.485 -9.419 1.00 0.00 H new ATOM 0 HB THR A 15 -0.744 7.407 -8.747 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.812 6.914 -8.965 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.821 8.353 -11.025 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.728 7.540 -10.703 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.507 6.738 -11.702 1.00 0.00 H new ATOM 194 N GLU A 16 -1.905 4.863 -7.594 1.00 0.00 N ATOM 195 CA GLU A 16 -2.355 4.465 -6.265 1.00 0.00 C ATOM 196 C GLU A 16 -1.466 3.364 -5.696 1.00 0.00 C ATOM 197 O GLU A 16 -1.119 3.379 -4.515 1.00 0.00 O ATOM 198 CB GLU A 16 -3.808 3.987 -6.317 1.00 0.00 C ATOM 199 CG GLU A 16 -4.781 5.048 -6.803 1.00 0.00 C ATOM 200 CD GLU A 16 -6.229 4.656 -6.584 1.00 0.00 C ATOM 201 OE1 GLU A 16 -6.733 3.798 -7.339 1.00 0.00 O ATOM 202 OE2 GLU A 16 -6.859 5.206 -5.656 1.00 0.00 O ATOM 0 H GLU A 16 -2.658 5.051 -8.256 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.289 5.335 -5.611 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.873 3.119 -6.973 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.109 3.658 -5.322 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.580 5.985 -6.284 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.614 5.229 -7.865 1.00 0.00 H new ATOM 209 N ASP A 17 -1.101 2.409 -6.545 1.00 0.00 N ATOM 210 CA ASP A 17 -0.252 1.299 -6.128 1.00 0.00 C ATOM 211 C ASP A 17 1.137 1.795 -5.738 1.00 0.00 C ATOM 212 O ASP A 17 1.685 1.390 -4.713 1.00 0.00 O ATOM 213 CB ASP A 17 -0.141 0.265 -7.249 1.00 0.00 C ATOM 214 CG ASP A 17 -1.320 -0.689 -7.276 1.00 0.00 C ATOM 215 OD1 ASP A 17 -2.468 -0.209 -7.383 1.00 0.00 O ATOM 216 OD2 ASP A 17 -1.095 -1.914 -7.189 1.00 0.00 O ATOM 0 H ASP A 17 -1.380 2.381 -7.526 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.710 0.831 -5.256 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -0.071 0.779 -8.208 1.00 0.00 H new ATOM 0 HB3 ASP A 17 0.780 -0.304 -7.125 1.00 0.00 H new ATOM 221 N GLU A 18 1.701 2.672 -6.563 1.00 0.00 N ATOM 222 CA GLU A 18 3.027 3.220 -6.304 1.00 0.00 C ATOM 223 C GLU A 18 3.071 3.918 -4.947 1.00 0.00 C ATOM 224 O GLU A 18 4.047 3.796 -4.206 1.00 0.00 O ATOM 225 CB GLU A 18 3.421 4.202 -7.408 1.00 0.00 C ATOM 226 CG GLU A 18 3.470 3.575 -8.792 1.00 0.00 C ATOM 227 CD GLU A 18 3.562 4.608 -9.898 1.00 0.00 C ATOM 228 OE1 GLU A 18 2.955 5.690 -9.752 1.00 0.00 O ATOM 229 OE2 GLU A 18 4.241 4.334 -10.910 1.00 0.00 O ATOM 0 H GLU A 18 1.261 3.018 -7.416 1.00 0.00 H new ATOM 0 HA GLU A 18 3.738 2.394 -6.292 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.711 5.029 -7.418 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.398 4.624 -7.175 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.328 2.905 -8.853 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.579 2.966 -8.942 1.00 0.00 H new ATOM 236 N ILE A 19 2.008 4.651 -4.631 1.00 0.00 N ATOM 237 CA ILE A 19 1.926 5.368 -3.365 1.00 0.00 C ATOM 238 C ILE A 19 1.881 4.401 -2.187 1.00 0.00 C ATOM 239 O ILE A 19 2.642 4.538 -1.227 1.00 0.00 O ATOM 240 CB ILE A 19 0.685 6.279 -3.314 1.00 0.00 C ATOM 241 CG1 ILE A 19 0.722 7.292 -4.459 1.00 0.00 C ATOM 242 CG2 ILE A 19 0.605 6.991 -1.972 1.00 0.00 C ATOM 243 CD1 ILE A 19 -0.650 7.712 -4.940 1.00 0.00 C ATOM 0 H ILE A 19 1.193 4.764 -5.234 1.00 0.00 H new ATOM 0 HA ILE A 19 2.823 5.984 -3.292 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.206 5.661 -3.429 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.270 8.176 -4.133 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.275 6.863 -5.295 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.277 7.631 -1.952 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.537 6.253 -1.172 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.498 7.600 -1.829 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.546 8.431 -5.752 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.194 6.837 -5.297 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.199 8.170 -4.118 1.00 0.00 H new ATOM 255 N LEU A 20 0.987 3.422 -2.266 1.00 0.00 N ATOM 256 CA LEU A 20 0.844 2.429 -1.207 1.00 0.00 C ATOM 257 C LEU A 20 2.178 1.751 -0.912 1.00 0.00 C ATOM 258 O LEU A 20 2.734 1.898 0.177 1.00 0.00 O ATOM 259 CB LEU A 20 -0.198 1.380 -1.602 1.00 0.00 C ATOM 260 CG LEU A 20 -0.549 0.346 -0.531 1.00 0.00 C ATOM 261 CD1 LEU A 20 -1.294 1.002 0.621 1.00 0.00 C ATOM 262 CD2 LEU A 20 -1.375 -0.783 -1.130 1.00 0.00 C ATOM 0 H LEU A 20 0.350 3.294 -3.052 1.00 0.00 H new ATOM 0 HA LEU A 20 0.511 2.942 -0.305 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.112 1.897 -1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.164 0.852 -2.484 1.00 0.00 H new ATOM 0 HG LEU A 20 0.378 -0.076 -0.143 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.535 0.251 1.373 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.667 1.774 1.067 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.215 1.452 0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.616 -1.509 -0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.297 -0.378 -1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.805 -1.272 -1.920 1.00 0.00 H new ATOM 274 N LYS A 21 2.688 1.010 -1.890 1.00 0.00 N ATOM 275 CA LYS A 21 3.959 0.311 -1.738 1.00 0.00 C ATOM 276 C LYS A 21 4.968 1.175 -0.988 1.00 0.00 C ATOM 277 O LYS A 21 5.474 0.784 0.064 1.00 0.00 O ATOM 278 CB LYS A 21 4.520 -0.073 -3.108 1.00 0.00 C ATOM 279 CG LYS A 21 4.075 -1.445 -3.585 1.00 0.00 C ATOM 280 CD LYS A 21 4.386 -1.652 -5.058 1.00 0.00 C ATOM 281 CE LYS A 21 3.226 -1.216 -5.939 1.00 0.00 C ATOM 282 NZ LYS A 21 2.275 -2.333 -6.196 1.00 0.00 N ATOM 0 H LYS A 21 2.240 0.878 -2.797 1.00 0.00 H new ATOM 0 HA LYS A 21 3.780 -0.595 -1.159 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.212 0.674 -3.840 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.609 -0.048 -3.065 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.573 -2.215 -2.996 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.004 -1.559 -3.419 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.279 -1.087 -5.325 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.607 -2.704 -5.240 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.697 -0.391 -5.461 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.611 -0.841 -6.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.905 -2.258 -7.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.768 -3.242 -6.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.487 -2.280 -5.520 1.00 0.00 H new ATOM 296 N ALA A 22 5.255 2.352 -1.535 1.00 0.00 N ATOM 297 CA ALA A 22 6.200 3.272 -0.915 1.00 0.00 C ATOM 298 C ALA A 22 5.817 3.561 0.532 1.00 0.00 C ATOM 299 O ALA A 22 6.574 3.263 1.456 1.00 0.00 O ATOM 300 CB ALA A 22 6.276 4.567 -1.711 1.00 0.00 C ATOM 0 H ALA A 22 4.846 2.690 -2.406 1.00 0.00 H new ATOM 0 HA ALA A 22 7.182 2.799 -0.916 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.986 5.245 -1.236 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.605 4.351 -2.727 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.292 5.034 -1.740 1.00 0.00 H new ATOM 306 N ALA A 23 4.638 4.143 0.723 1.00 0.00 N ATOM 307 CA ALA A 23 4.154 4.471 2.058 1.00 0.00 C ATOM 308 C ALA A 23 4.403 3.322 3.029 1.00 0.00 C ATOM 309 O ALA A 23 5.024 3.504 4.077 1.00 0.00 O ATOM 310 CB ALA A 23 2.673 4.815 2.013 1.00 0.00 C ATOM 0 H ALA A 23 4.000 4.397 -0.031 1.00 0.00 H new ATOM 0 HA ALA A 23 4.706 5.340 2.415 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.325 5.058 3.017 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.518 5.673 1.358 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.113 3.961 1.631 1.00 0.00 H new ATOM 316 N VAL A 24 3.914 2.137 2.675 1.00 0.00 N ATOM 317 CA VAL A 24 4.084 0.958 3.516 1.00 0.00 C ATOM 318 C VAL A 24 5.544 0.771 3.912 1.00 0.00 C ATOM 319 O VAL A 24 5.844 0.292 5.005 1.00 0.00 O ATOM 320 CB VAL A 24 3.590 -0.315 2.803 1.00 0.00 C ATOM 321 CG1 VAL A 24 3.786 -1.535 3.690 1.00 0.00 C ATOM 322 CG2 VAL A 24 2.130 -0.167 2.400 1.00 0.00 C ATOM 0 H VAL A 24 3.397 1.968 1.812 1.00 0.00 H new ATOM 0 HA VAL A 24 3.486 1.120 4.413 1.00 0.00 H new ATOM 0 HB VAL A 24 4.181 -0.456 1.898 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.431 -2.424 3.169 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.845 -1.649 3.923 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.223 -1.407 4.614 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.797 -1.075 1.898 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.522 -0.001 3.289 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.023 0.681 1.724 1.00 0.00 H new ATOM 332 N MET A 25 6.448 1.153 3.016 1.00 0.00 N ATOM 333 CA MET A 25 7.878 1.030 3.274 1.00 0.00 C ATOM 334 C MET A 25 8.364 2.148 4.189 1.00 0.00 C ATOM 335 O MET A 25 9.352 1.992 4.908 1.00 0.00 O ATOM 336 CB MET A 25 8.659 1.055 1.958 1.00 0.00 C ATOM 337 CG MET A 25 8.286 -0.071 1.008 1.00 0.00 C ATOM 338 SD MET A 25 9.178 -1.599 1.359 1.00 0.00 S ATOM 339 CE MET A 25 7.970 -2.820 0.851 1.00 0.00 C ATOM 0 H MET A 25 6.216 1.550 2.106 1.00 0.00 H new ATOM 0 HA MET A 25 8.051 0.076 3.773 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.487 2.010 1.461 1.00 0.00 H new ATOM 0 HB3 MET A 25 9.725 0.996 2.177 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.214 -0.257 1.074 1.00 0.00 H new ATOM 0 HG3 MET A 25 8.493 0.239 -0.016 1.00 0.00 H new ATOM 0 HE1 MET A 25 8.472 -3.766 0.650 1.00 0.00 H new ATOM 0 HE2 MET A 25 7.237 -2.960 1.646 1.00 0.00 H new ATOM 0 HE3 MET A 25 7.465 -2.478 -0.052 1.00 0.00 H new ATOM 349 N LYS A 26 7.665 3.278 4.159 1.00 0.00 N ATOM 350 CA LYS A 26 8.025 4.423 4.987 1.00 0.00 C ATOM 351 C LYS A 26 7.342 4.346 6.349 1.00 0.00 C ATOM 352 O LYS A 26 8.003 4.209 7.378 1.00 0.00 O ATOM 353 CB LYS A 26 7.639 5.727 4.285 1.00 0.00 C ATOM 354 CG LYS A 26 7.953 6.971 5.097 1.00 0.00 C ATOM 355 CD LYS A 26 7.617 8.238 4.329 1.00 0.00 C ATOM 356 CE LYS A 26 7.892 9.483 5.159 1.00 0.00 C ATOM 357 NZ LYS A 26 7.872 10.719 4.328 1.00 0.00 N ATOM 0 H LYS A 26 6.846 3.425 3.570 1.00 0.00 H new ATOM 0 HA LYS A 26 9.104 4.404 5.139 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.162 5.785 3.331 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.572 5.708 4.063 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.389 6.950 6.030 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.010 6.975 5.363 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.204 8.275 3.411 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.567 8.219 4.036 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.146 9.565 5.949 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.863 9.388 5.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.064 11.545 4.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.601 10.652 3.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.937 10.824 3.884 1.00 0.00 H new ATOM 371 N TYR A 27 6.016 4.433 6.347 1.00 0.00 N ATOM 372 CA TYR A 27 5.245 4.373 7.582 1.00 0.00 C ATOM 373 C TYR A 27 5.292 2.974 8.188 1.00 0.00 C ATOM 374 O TYR A 27 5.306 2.812 9.407 1.00 0.00 O ATOM 375 CB TYR A 27 3.793 4.779 7.322 1.00 0.00 C ATOM 376 CG TYR A 27 3.656 6.041 6.499 1.00 0.00 C ATOM 377 CD1 TYR A 27 4.599 7.057 6.588 1.00 0.00 C ATOM 378 CD2 TYR A 27 2.583 6.216 5.634 1.00 0.00 C ATOM 379 CE1 TYR A 27 4.477 8.212 5.839 1.00 0.00 C ATOM 380 CE2 TYR A 27 2.454 7.366 4.879 1.00 0.00 C ATOM 381 CZ TYR A 27 3.403 8.361 4.986 1.00 0.00 C ATOM 382 OH TYR A 27 3.278 9.509 4.237 1.00 0.00 O ATOM 0 H TYR A 27 5.453 4.545 5.504 1.00 0.00 H new ATOM 0 HA TYR A 27 5.690 5.071 8.291 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.283 3.964 6.809 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.287 4.921 8.277 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.442 6.942 7.254 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.837 5.440 5.550 1.00 0.00 H new ATOM 0 HE1 TYR A 27 5.218 8.993 5.921 1.00 0.00 H new ATOM 0 HE2 TYR A 27 1.615 7.485 4.209 1.00 0.00 H new ATOM 0 HH TYR A 27 2.621 9.365 3.524 1.00 0.00 H new ATOM 392 N GLY A 28 5.317 1.963 7.324 1.00 0.00 N ATOM 393 CA GLY A 28 5.363 0.589 7.791 1.00 0.00 C ATOM 394 C GLY A 28 4.022 -0.108 7.674 1.00 0.00 C ATOM 395 O GLY A 28 3.065 0.455 7.142 1.00 0.00 O ATOM 0 H GLY A 28 5.306 2.071 6.310 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.107 0.038 7.216 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.688 0.573 8.831 1.00 0.00 H new ATOM 399 N LYS A 29 3.951 -1.337 8.172 1.00 0.00 N ATOM 400 CA LYS A 29 2.718 -2.114 8.122 1.00 0.00 C ATOM 401 C LYS A 29 1.890 -1.902 9.385 1.00 0.00 C ATOM 402 O LYS A 29 1.263 -2.831 9.891 1.00 0.00 O ATOM 403 CB LYS A 29 3.035 -3.601 7.951 1.00 0.00 C ATOM 404 CG LYS A 29 3.760 -3.924 6.656 1.00 0.00 C ATOM 405 CD LYS A 29 4.668 -5.132 6.812 1.00 0.00 C ATOM 406 CE LYS A 29 5.329 -5.506 5.494 1.00 0.00 C ATOM 407 NZ LYS A 29 4.509 -6.480 4.720 1.00 0.00 N ATOM 0 H LYS A 29 4.734 -1.817 8.616 1.00 0.00 H new ATOM 0 HA LYS A 29 2.137 -1.772 7.266 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.645 -3.933 8.791 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.105 -4.169 7.988 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.032 -4.115 5.868 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.350 -3.062 6.343 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.434 -4.919 7.557 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.089 -5.978 7.183 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.485 -4.607 4.898 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.313 -5.933 5.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.130 -7.047 4.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.004 -7.108 5.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.820 -5.966 4.135 1.00 0.00 H new ATOM 421 N ASN A 30 1.891 -0.671 9.888 1.00 0.00 N ATOM 422 CA ASN A 30 1.138 -0.337 11.092 1.00 0.00 C ATOM 423 C ASN A 30 0.258 0.887 10.861 1.00 0.00 C ATOM 424 O ASN A 30 -0.867 0.956 11.354 1.00 0.00 O ATOM 425 CB ASN A 30 2.092 -0.080 12.260 1.00 0.00 C ATOM 426 CG ASN A 30 2.816 -1.337 12.702 1.00 0.00 C ATOM 427 OD1 ASN A 30 2.208 -2.260 13.244 1.00 0.00 O ATOM 428 ND2 ASN A 30 4.124 -1.377 12.473 1.00 0.00 N ATOM 0 H ASN A 30 2.404 0.111 9.481 1.00 0.00 H new ATOM 0 HA ASN A 30 0.496 -1.183 11.335 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.823 0.674 11.969 1.00 0.00 H new ATOM 0 HB3 ASN A 30 1.531 0.328 13.101 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.665 -2.196 12.749 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.587 -0.589 12.021 1.00 0.00 H new ATOM 435 N GLN A 31 0.779 1.850 10.107 1.00 0.00 N ATOM 436 CA GLN A 31 0.040 3.072 9.810 1.00 0.00 C ATOM 437 C GLN A 31 -0.873 2.877 8.604 1.00 0.00 C ATOM 438 O GLN A 31 -0.969 3.747 7.740 1.00 0.00 O ATOM 439 CB GLN A 31 1.008 4.228 9.551 1.00 0.00 C ATOM 440 CG GLN A 31 2.006 4.450 10.676 1.00 0.00 C ATOM 441 CD GLN A 31 2.437 5.899 10.795 1.00 0.00 C ATOM 442 OE1 GLN A 31 1.604 6.801 10.883 1.00 0.00 O ATOM 443 NE2 GLN A 31 3.745 6.129 10.799 1.00 0.00 N ATOM 0 H GLN A 31 1.709 1.808 9.691 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.578 3.312 10.675 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.552 4.035 8.627 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.436 5.143 9.399 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.563 4.128 11.618 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.884 3.826 10.507 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.400 5.351 10.724 1.00 0.00 H new ATOM 0 HE22 GLN A 31 4.095 7.084 10.877 1.00 0.00 H new ATOM 452 N TRP A 32 -1.540 1.729 8.554 1.00 0.00 N ATOM 453 CA TRP A 32 -2.445 1.420 7.453 1.00 0.00 C ATOM 454 C TRP A 32 -3.534 2.480 7.329 1.00 0.00 C ATOM 455 O TRP A 32 -3.939 2.842 6.225 1.00 0.00 O ATOM 456 CB TRP A 32 -3.078 0.042 7.657 1.00 0.00 C ATOM 457 CG TRP A 32 -2.132 -1.090 7.395 1.00 0.00 C ATOM 458 CD1 TRP A 32 -1.747 -2.058 8.278 1.00 0.00 C ATOM 459 CD2 TRP A 32 -1.451 -1.371 6.167 1.00 0.00 C ATOM 460 NE1 TRP A 32 -0.867 -2.923 7.673 1.00 0.00 N ATOM 461 CE2 TRP A 32 -0.670 -2.524 6.378 1.00 0.00 C ATOM 462 CE3 TRP A 32 -1.426 -0.761 4.910 1.00 0.00 C ATOM 463 CZ2 TRP A 32 0.126 -3.077 5.378 1.00 0.00 C ATOM 464 CZ3 TRP A 32 -0.635 -1.311 3.919 1.00 0.00 C ATOM 465 CH2 TRP A 32 0.132 -2.460 4.157 1.00 0.00 C ATOM 0 H TRP A 32 -1.471 0.998 9.262 1.00 0.00 H new ATOM 0 HA TRP A 32 -1.865 1.413 6.530 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -3.448 -0.032 8.680 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.941 -0.055 6.998 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.084 -2.133 9.301 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -0.431 -3.731 8.117 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.014 0.124 4.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.718 -3.962 5.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.607 -0.847 2.944 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.739 -2.866 3.361 1.00 0.00 H new ATOM 476 N SER A 33 -4.005 2.974 8.470 1.00 0.00 N ATOM 477 CA SER A 33 -5.050 3.991 8.489 1.00 0.00 C ATOM 478 C SER A 33 -4.571 5.276 7.821 1.00 0.00 C ATOM 479 O SER A 33 -5.242 5.820 6.944 1.00 0.00 O ATOM 480 CB SER A 33 -5.483 4.281 9.928 1.00 0.00 C ATOM 481 OG SER A 33 -4.372 4.643 10.730 1.00 0.00 O ATOM 0 H SER A 33 -3.679 2.686 9.393 1.00 0.00 H new ATOM 0 HA SER A 33 -5.904 3.609 7.930 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.218 5.085 9.935 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.969 3.401 10.350 1.00 0.00 H new ATOM 0 HG SER A 33 -4.674 4.825 11.644 1.00 0.00 H new ATOM 487 N ARG A 34 -3.405 5.755 8.242 1.00 0.00 N ATOM 488 CA ARG A 34 -2.835 6.976 7.686 1.00 0.00 C ATOM 489 C ARG A 34 -2.586 6.827 6.188 1.00 0.00 C ATOM 490 O ARG A 34 -2.947 7.701 5.399 1.00 0.00 O ATOM 491 CB ARG A 34 -1.527 7.324 8.399 1.00 0.00 C ATOM 492 CG ARG A 34 -1.023 8.726 8.097 1.00 0.00 C ATOM 493 CD ARG A 34 0.457 8.867 8.417 1.00 0.00 C ATOM 494 NE ARG A 34 0.810 10.237 8.780 1.00 0.00 N ATOM 495 CZ ARG A 34 1.975 10.577 9.320 1.00 0.00 C ATOM 496 NH1 ARG A 34 2.894 9.651 9.558 1.00 0.00 N ATOM 497 NH2 ARG A 34 2.223 11.845 9.623 1.00 0.00 N ATOM 0 H ARG A 34 -2.837 5.316 8.966 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.551 7.784 7.839 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.671 7.223 9.475 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -0.763 6.602 8.111 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.192 8.956 7.045 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.593 9.452 8.678 1.00 0.00 H new ATOM 0 HD2 ARG A 34 0.716 8.197 9.236 1.00 0.00 H new ATOM 0 HD3 ARG A 34 1.046 8.558 7.553 1.00 0.00 H new ATOM 0 HE ARG A 34 0.125 10.973 8.610 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.707 8.675 9.326 1.00 0.00 H new ATOM 0 HH12 ARG A 34 3.788 9.914 9.973 1.00 0.00 H new ATOM 0 HH21 ARG A 34 1.519 12.560 9.441 1.00 0.00 H new ATOM 0 HH22 ARG A 34 3.118 12.105 10.038 1.00 0.00 H new ATOM 511 N ILE A 35 -1.968 5.716 5.803 1.00 0.00 N ATOM 512 CA ILE A 35 -1.672 5.453 4.401 1.00 0.00 C ATOM 513 C ILE A 35 -2.895 5.704 3.525 1.00 0.00 C ATOM 514 O ILE A 35 -2.816 6.408 2.518 1.00 0.00 O ATOM 515 CB ILE A 35 -1.191 4.005 4.188 1.00 0.00 C ATOM 516 CG1 ILE A 35 0.185 3.803 4.827 1.00 0.00 C ATOM 517 CG2 ILE A 35 -1.146 3.674 2.704 1.00 0.00 C ATOM 518 CD1 ILE A 35 0.558 2.349 5.010 1.00 0.00 C ATOM 0 H ILE A 35 -1.662 4.983 6.443 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.874 6.138 4.113 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.897 3.329 4.669 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.939 4.288 4.207 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.202 4.299 5.797 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.804 2.648 2.570 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.143 3.783 2.276 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.459 4.354 2.200 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.545 2.281 5.468 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.175 1.864 5.654 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.573 1.852 4.040 1.00 0.00 H new ATOM 530 N ALA A 36 -4.025 5.124 3.915 1.00 0.00 N ATOM 531 CA ALA A 36 -5.266 5.288 3.168 1.00 0.00 C ATOM 532 C ALA A 36 -5.533 6.758 2.863 1.00 0.00 C ATOM 533 O ALA A 36 -6.064 7.096 1.805 1.00 0.00 O ATOM 534 CB ALA A 36 -6.431 4.688 3.941 1.00 0.00 C ATOM 0 H ALA A 36 -4.107 4.536 4.744 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.163 4.760 2.220 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.351 4.818 3.371 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.251 3.625 4.103 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.526 5.191 4.903 1.00 0.00 H new ATOM 540 N SER A 37 -5.161 7.629 3.796 1.00 0.00 N ATOM 541 CA SER A 37 -5.364 9.063 3.628 1.00 0.00 C ATOM 542 C SER A 37 -4.704 9.559 2.345 1.00 0.00 C ATOM 543 O SER A 37 -5.240 10.424 1.651 1.00 0.00 O ATOM 544 CB SER A 37 -4.803 9.823 4.831 1.00 0.00 C ATOM 545 OG SER A 37 -5.267 11.162 4.850 1.00 0.00 O ATOM 0 H SER A 37 -4.717 7.366 4.676 1.00 0.00 H new ATOM 0 HA SER A 37 -6.436 9.248 3.559 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.097 9.320 5.752 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.714 9.813 4.796 1.00 0.00 H new ATOM 0 HG SER A 37 -4.895 11.626 5.629 1.00 0.00 H new ATOM 551 N LEU A 38 -3.537 9.005 2.035 1.00 0.00 N ATOM 552 CA LEU A 38 -2.802 9.389 0.836 1.00 0.00 C ATOM 553 C LEU A 38 -3.625 9.116 -0.419 1.00 0.00 C ATOM 554 O LEU A 38 -3.729 9.967 -1.304 1.00 0.00 O ATOM 555 CB LEU A 38 -1.474 8.632 0.763 1.00 0.00 C ATOM 556 CG LEU A 38 -0.591 8.706 2.009 1.00 0.00 C ATOM 557 CD1 LEU A 38 0.505 7.653 1.948 1.00 0.00 C ATOM 558 CD2 LEU A 38 0.010 10.096 2.155 1.00 0.00 C ATOM 0 H LEU A 38 -3.080 8.288 2.598 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.601 10.459 0.891 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.687 7.584 0.555 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.906 9.016 -0.084 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.211 8.507 2.883 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.124 7.720 2.843 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.055 6.662 1.892 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.123 7.821 1.066 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.635 10.130 3.047 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.616 10.324 1.278 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.790 10.831 2.245 1.00 0.00 H new ATOM 570 N LEU A 39 -4.211 7.926 -0.488 1.00 0.00 N ATOM 571 CA LEU A 39 -5.028 7.541 -1.634 1.00 0.00 C ATOM 572 C LEU A 39 -6.453 8.065 -1.487 1.00 0.00 C ATOM 573 O LEU A 39 -6.909 8.352 -0.379 1.00 0.00 O ATOM 574 CB LEU A 39 -5.046 6.019 -1.784 1.00 0.00 C ATOM 575 CG LEU A 39 -3.689 5.320 -1.693 1.00 0.00 C ATOM 576 CD1 LEU A 39 -3.848 3.917 -1.127 1.00 0.00 C ATOM 577 CD2 LEU A 39 -3.021 5.273 -3.060 1.00 0.00 C ATOM 0 H LEU A 39 -4.136 7.211 0.236 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.588 7.983 -2.528 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.698 5.606 -1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.495 5.774 -2.747 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.052 5.892 -1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.872 3.435 -1.070 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.284 3.974 -0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.502 3.335 -1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.056 4.772 -2.977 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.655 4.725 -3.756 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.872 6.288 -3.427 1.00 0.00 H new ATOM 589 N HIS A 40 -7.153 8.187 -2.611 1.00 0.00 N ATOM 590 CA HIS A 40 -8.528 8.674 -2.607 1.00 0.00 C ATOM 591 C HIS A 40 -9.514 7.516 -2.723 1.00 0.00 C ATOM 592 O HIS A 40 -9.353 6.632 -3.564 1.00 0.00 O ATOM 593 CB HIS A 40 -8.744 9.661 -3.754 1.00 0.00 C ATOM 594 CG HIS A 40 -10.155 10.152 -3.863 1.00 0.00 C ATOM 595 ND1 HIS A 40 -10.716 10.572 -5.051 1.00 0.00 N ATOM 596 CD2 HIS A 40 -11.121 10.286 -2.925 1.00 0.00 C ATOM 597 CE1 HIS A 40 -11.965 10.945 -4.838 1.00 0.00 C ATOM 598 NE2 HIS A 40 -12.236 10.781 -3.556 1.00 0.00 N ATOM 0 H HIS A 40 -6.791 7.955 -3.536 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.705 9.185 -1.660 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -8.080 10.515 -3.618 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -8.461 9.183 -4.692 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -11.032 10.048 -1.875 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -12.648 11.320 -5.585 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -13.128 10.988 -3.107 1.00 0.00 H new ATOM 607 N ARG A 41 -10.535 7.528 -1.872 1.00 0.00 N ATOM 608 CA ARG A 41 -11.547 6.478 -1.878 1.00 0.00 C ATOM 609 C ARG A 41 -10.947 5.142 -1.450 1.00 0.00 C ATOM 610 O ARG A 41 -11.346 4.085 -1.938 1.00 0.00 O ATOM 611 CB ARG A 41 -12.169 6.347 -3.270 1.00 0.00 C ATOM 612 CG ARG A 41 -12.677 7.663 -3.836 1.00 0.00 C ATOM 613 CD ARG A 41 -13.833 7.446 -4.799 1.00 0.00 C ATOM 614 NE ARG A 41 -14.057 8.608 -5.656 1.00 0.00 N ATOM 615 CZ ARG A 41 -15.050 8.692 -6.534 1.00 0.00 C ATOM 616 NH1 ARG A 41 -15.907 7.689 -6.670 1.00 0.00 N ATOM 617 NH2 ARG A 41 -15.188 9.783 -7.278 1.00 0.00 N ATOM 0 H ARG A 41 -10.683 8.253 -1.170 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.324 6.753 -1.165 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.428 5.930 -3.952 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.995 5.638 -3.224 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.998 8.311 -3.021 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.865 8.177 -4.351 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.630 6.572 -5.418 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.740 7.232 -4.234 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.416 9.397 -5.576 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.805 6.850 -6.099 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.668 7.757 -7.345 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -14.531 10.557 -7.175 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.951 9.847 -7.952 1.00 0.00 H new ATOM 631 N LYS A 42 -9.984 5.198 -0.536 1.00 0.00 N ATOM 632 CA LYS A 42 -9.328 3.993 -0.041 1.00 0.00 C ATOM 633 C LYS A 42 -9.104 4.076 1.466 1.00 0.00 C ATOM 634 O LYS A 42 -8.467 5.007 1.958 1.00 0.00 O ATOM 635 CB LYS A 42 -7.991 3.786 -0.755 1.00 0.00 C ATOM 636 CG LYS A 42 -8.136 3.328 -2.196 1.00 0.00 C ATOM 637 CD LYS A 42 -8.705 1.922 -2.280 1.00 0.00 C ATOM 638 CE LYS A 42 -8.907 1.488 -3.724 1.00 0.00 C ATOM 639 NZ LYS A 42 -10.042 0.534 -3.862 1.00 0.00 N ATOM 0 H LYS A 42 -9.640 6.065 -0.123 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.979 3.144 -0.248 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.429 4.720 -0.734 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.405 3.049 -0.205 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.787 4.017 -2.734 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.164 3.358 -2.688 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.032 1.225 -1.780 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.657 1.881 -1.750 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.092 2.365 -4.344 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.994 1.022 -4.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.003 0.082 -4.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.975 -0.194 -3.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.941 1.047 -3.762 1.00 0.00 H new ATOM 653 N SER A 43 -9.632 3.096 2.193 1.00 0.00 N ATOM 654 CA SER A 43 -9.491 3.060 3.644 1.00 0.00 C ATOM 655 C SER A 43 -8.456 2.020 4.063 1.00 0.00 C ATOM 656 O SER A 43 -7.943 1.269 3.234 1.00 0.00 O ATOM 657 CB SER A 43 -10.838 2.749 4.300 1.00 0.00 C ATOM 658 OG SER A 43 -10.829 3.101 5.673 1.00 0.00 O ATOM 0 H SER A 43 -10.161 2.317 1.801 1.00 0.00 H new ATOM 0 HA SER A 43 -9.150 4.041 3.977 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.631 3.294 3.787 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.061 1.687 4.195 1.00 0.00 H new ATOM 0 HG SER A 43 -11.701 2.894 6.069 1.00 0.00 H new ATOM 664 N ALA A 44 -8.155 1.983 5.357 1.00 0.00 N ATOM 665 CA ALA A 44 -7.184 1.035 5.889 1.00 0.00 C ATOM 666 C ALA A 44 -7.456 -0.375 5.376 1.00 0.00 C ATOM 667 O ALA A 44 -6.563 -1.038 4.847 1.00 0.00 O ATOM 668 CB ALA A 44 -7.202 1.058 7.410 1.00 0.00 C ATOM 0 H ALA A 44 -8.570 2.599 6.056 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.194 1.334 5.544 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.472 0.345 7.793 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.951 2.059 7.762 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.196 0.787 7.766 1.00 0.00 H new ATOM 674 N LYS A 45 -8.694 -0.830 5.535 1.00 0.00 N ATOM 675 CA LYS A 45 -9.085 -2.161 5.088 1.00 0.00 C ATOM 676 C LYS A 45 -8.591 -2.425 3.669 1.00 0.00 C ATOM 677 O LYS A 45 -7.836 -3.368 3.431 1.00 0.00 O ATOM 678 CB LYS A 45 -10.606 -2.315 5.147 1.00 0.00 C ATOM 679 CG LYS A 45 -11.114 -2.838 6.480 1.00 0.00 C ATOM 680 CD LYS A 45 -10.746 -4.299 6.682 1.00 0.00 C ATOM 681 CE LYS A 45 -11.803 -5.225 6.102 1.00 0.00 C ATOM 682 NZ LYS A 45 -11.300 -6.620 5.959 1.00 0.00 N ATOM 0 H LYS A 45 -9.445 -0.295 5.971 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.626 -2.891 5.755 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.069 -1.349 4.945 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.925 -2.993 4.355 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.695 -2.241 7.290 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.197 -2.725 6.528 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.785 -4.502 6.210 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.628 -4.502 7.746 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.683 -5.220 6.746 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.119 -4.851 5.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.050 -7.220 5.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.476 -6.629 5.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.023 -6.986 6.892 1.00 0.00 H new ATOM 696 N GLN A 46 -9.021 -1.587 2.732 1.00 0.00 N ATOM 697 CA GLN A 46 -8.621 -1.730 1.337 1.00 0.00 C ATOM 698 C GLN A 46 -7.102 -1.726 1.204 1.00 0.00 C ATOM 699 O GLN A 46 -6.523 -2.600 0.556 1.00 0.00 O ATOM 700 CB GLN A 46 -9.222 -0.605 0.494 1.00 0.00 C ATOM 701 CG GLN A 46 -10.694 -0.806 0.171 1.00 0.00 C ATOM 702 CD GLN A 46 -11.245 0.274 -0.739 1.00 0.00 C ATOM 703 OE1 GLN A 46 -11.342 1.438 -0.351 1.00 0.00 O ATOM 704 NE2 GLN A 46 -11.610 -0.108 -1.957 1.00 0.00 N ATOM 0 H GLN A 46 -9.646 -0.802 2.913 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.997 -2.686 0.973 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -9.101 0.340 1.024 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.662 -0.522 -0.438 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.828 -1.778 -0.303 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -11.267 -0.821 1.098 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.512 -1.084 -2.236 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.989 0.575 -2.614 1.00 0.00 H new ATOM 713 N CYS A 47 -6.461 -0.738 1.818 1.00 0.00 N ATOM 714 CA CYS A 47 -5.009 -0.619 1.767 1.00 0.00 C ATOM 715 C CYS A 47 -4.341 -1.915 2.215 1.00 0.00 C ATOM 716 O CYS A 47 -3.366 -2.365 1.613 1.00 0.00 O ATOM 717 CB CYS A 47 -4.540 0.541 2.646 1.00 0.00 C ATOM 718 SG CYS A 47 -4.897 2.177 1.962 1.00 0.00 S ATOM 0 H CYS A 47 -6.925 -0.007 2.357 1.00 0.00 H new ATOM 0 HA CYS A 47 -4.722 -0.422 0.734 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.014 0.457 3.624 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -3.465 0.452 2.804 1.00 0.00 H new ATOM 0 HG CYS A 47 -6.148 2.468 2.164 1.00 0.00 H new ATOM 724 N LYS A 48 -4.871 -2.510 3.278 1.00 0.00 N ATOM 725 CA LYS A 48 -4.327 -3.754 3.809 1.00 0.00 C ATOM 726 C LYS A 48 -4.657 -4.928 2.892 1.00 0.00 C ATOM 727 O LYS A 48 -3.830 -5.813 2.680 1.00 0.00 O ATOM 728 CB LYS A 48 -4.879 -4.019 5.212 1.00 0.00 C ATOM 729 CG LYS A 48 -4.028 -4.973 6.031 1.00 0.00 C ATOM 730 CD LYS A 48 -4.258 -4.787 7.521 1.00 0.00 C ATOM 731 CE LYS A 48 -4.016 -6.078 8.288 1.00 0.00 C ATOM 732 NZ LYS A 48 -5.247 -6.912 8.372 1.00 0.00 N ATOM 0 H LYS A 48 -5.677 -2.151 3.789 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.243 -3.652 3.865 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.963 -3.072 5.745 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.886 -4.427 5.126 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.261 -6.001 5.752 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.975 -4.811 5.802 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.595 -4.009 7.898 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.279 -4.446 7.693 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.224 -6.647 7.801 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.667 -5.843 9.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.041 -7.783 8.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.995 -6.379 8.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.566 -7.158 7.413 1.00 0.00 H new ATOM 746 N ALA A 49 -5.871 -4.926 2.351 1.00 0.00 N ATOM 747 CA ALA A 49 -6.308 -5.989 1.454 1.00 0.00 C ATOM 748 C ALA A 49 -5.497 -5.986 0.163 1.00 0.00 C ATOM 749 O ALA A 49 -4.779 -6.941 -0.132 1.00 0.00 O ATOM 750 CB ALA A 49 -7.792 -5.843 1.148 1.00 0.00 C ATOM 0 H ALA A 49 -6.569 -4.201 2.518 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.143 -6.944 1.953 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.106 -6.643 0.477 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.362 -5.902 2.075 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.972 -4.879 0.672 1.00 0.00 H new ATOM 756 N ARG A 50 -5.617 -4.906 -0.604 1.00 0.00 N ATOM 757 CA ARG A 50 -4.895 -4.781 -1.864 1.00 0.00 C ATOM 758 C ARG A 50 -3.409 -5.065 -1.671 1.00 0.00 C ATOM 759 O ARG A 50 -2.768 -5.681 -2.523 1.00 0.00 O ATOM 760 CB ARG A 50 -5.086 -3.380 -2.448 1.00 0.00 C ATOM 761 CG ARG A 50 -4.017 -2.989 -3.456 1.00 0.00 C ATOM 762 CD ARG A 50 -4.038 -3.902 -4.672 1.00 0.00 C ATOM 763 NE ARG A 50 -3.594 -3.213 -5.881 1.00 0.00 N ATOM 764 CZ ARG A 50 -3.881 -3.628 -7.110 1.00 0.00 C ATOM 765 NH1 ARG A 50 -4.607 -4.722 -7.291 1.00 0.00 N ATOM 766 NH2 ARG A 50 -3.441 -2.947 -8.160 1.00 0.00 N ATOM 0 H ARG A 50 -6.207 -4.106 -0.374 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.299 -5.516 -2.560 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -6.063 -3.326 -2.928 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.090 -2.654 -1.635 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -4.173 -1.957 -3.771 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.036 -3.033 -2.983 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.396 -4.764 -4.489 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.048 -4.283 -4.822 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.033 -2.367 -5.776 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.947 -5.248 -6.486 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.826 -5.038 -8.236 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.882 -2.105 -8.024 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.661 -3.266 -9.103 1.00 0.00 H new ATOM 780 N TRP A 51 -2.867 -4.611 -0.547 1.00 0.00 N ATOM 781 CA TRP A 51 -1.455 -4.816 -0.242 1.00 0.00 C ATOM 782 C TRP A 51 -1.158 -6.292 -0.004 1.00 0.00 C ATOM 783 O TRP A 51 -0.483 -6.936 -0.808 1.00 0.00 O ATOM 784 CB TRP A 51 -1.054 -3.998 0.987 1.00 0.00 C ATOM 785 CG TRP A 51 0.227 -4.458 1.614 1.00 0.00 C ATOM 786 CD1 TRP A 51 0.362 -5.298 2.683 1.00 0.00 C ATOM 787 CD2 TRP A 51 1.554 -4.102 1.212 1.00 0.00 C ATOM 788 NE1 TRP A 51 1.692 -5.485 2.969 1.00 0.00 N ATOM 789 CE2 TRP A 51 2.445 -4.763 2.081 1.00 0.00 C ATOM 790 CE3 TRP A 51 2.078 -3.291 0.202 1.00 0.00 C ATOM 791 CZ2 TRP A 51 3.826 -4.635 1.969 1.00 0.00 C ATOM 792 CZ3 TRP A 51 3.449 -3.165 0.092 1.00 0.00 C ATOM 793 CH2 TRP A 51 4.311 -3.835 0.970 1.00 0.00 C ATOM 0 H TRP A 51 -3.383 -4.099 0.168 1.00 0.00 H new ATOM 0 HA TRP A 51 -0.871 -4.481 -1.099 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -0.955 -2.951 0.701 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -1.852 -4.052 1.727 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -0.457 -5.749 3.224 1.00 0.00 H new ATOM 0 HE1 TRP A 51 2.060 -6.067 3.721 1.00 0.00 H new ATOM 0 HE3 TRP A 51 1.422 -2.772 -0.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.492 -5.149 2.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.864 -2.539 -0.684 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.379 -3.718 0.856 1.00 0.00 H new ATOM 804 N TYR A 52 -1.666 -6.823 1.103 1.00 0.00 N ATOM 805 CA TYR A 52 -1.452 -8.224 1.446 1.00 0.00 C ATOM 806 C TYR A 52 -1.952 -9.140 0.333 1.00 0.00 C ATOM 807 O TYR A 52 -1.529 -10.290 0.226 1.00 0.00 O ATOM 808 CB TYR A 52 -2.162 -8.563 2.758 1.00 0.00 C ATOM 809 CG TYR A 52 -1.349 -8.232 3.989 1.00 0.00 C ATOM 810 CD1 TYR A 52 -0.262 -9.014 4.359 1.00 0.00 C ATOM 811 CD2 TYR A 52 -1.668 -7.136 4.782 1.00 0.00 C ATOM 812 CE1 TYR A 52 0.482 -8.716 5.484 1.00 0.00 C ATOM 813 CE2 TYR A 52 -0.928 -6.830 5.908 1.00 0.00 C ATOM 814 CZ TYR A 52 0.146 -7.623 6.255 1.00 0.00 C ATOM 815 OH TYR A 52 0.886 -7.322 7.375 1.00 0.00 O ATOM 0 H TYR A 52 -2.229 -6.305 1.778 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.381 -8.382 1.568 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.107 -8.022 2.800 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.403 -9.626 2.767 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.006 -9.870 3.757 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.508 -6.513 4.514 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.323 -9.336 5.758 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.189 -5.974 6.513 1.00 0.00 H new ATOM 0 HH TYR A 52 0.518 -6.522 7.805 1.00 0.00 H new ATOM 825 N GLU A 53 -2.854 -8.619 -0.493 1.00 0.00 N ATOM 826 CA GLU A 53 -3.411 -9.390 -1.598 1.00 0.00 C ATOM 827 C GLU A 53 -2.331 -9.738 -2.618 1.00 0.00 C ATOM 828 O GLU A 53 -2.134 -10.905 -2.955 1.00 0.00 O ATOM 829 CB GLU A 53 -4.537 -8.607 -2.278 1.00 0.00 C ATOM 830 CG GLU A 53 -5.908 -8.867 -1.677 1.00 0.00 C ATOM 831 CD GLU A 53 -6.599 -10.066 -2.296 1.00 0.00 C ATOM 832 OE1 GLU A 53 -6.037 -11.179 -2.218 1.00 0.00 O ATOM 833 OE2 GLU A 53 -7.700 -9.892 -2.859 1.00 0.00 O ATOM 0 H GLU A 53 -3.214 -7.668 -0.418 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.816 -10.317 -1.193 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.317 -7.541 -2.213 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.559 -8.864 -3.337 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.806 -9.026 -0.603 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.532 -7.984 -1.811 1.00 0.00 H new ATOM 840 N TRP A 54 -1.635 -8.717 -3.105 1.00 0.00 N ATOM 841 CA TRP A 54 -0.575 -8.915 -4.087 1.00 0.00 C ATOM 842 C TRP A 54 0.717 -8.242 -3.637 1.00 0.00 C ATOM 843 O TRP A 54 1.804 -8.801 -3.784 1.00 0.00 O ATOM 844 CB TRP A 54 -1.003 -8.365 -5.449 1.00 0.00 C ATOM 845 CG TRP A 54 -2.483 -8.432 -5.677 1.00 0.00 C ATOM 846 CD1 TRP A 54 -3.351 -7.379 -5.744 1.00 0.00 C ATOM 847 CD2 TRP A 54 -3.268 -9.614 -5.867 1.00 0.00 C ATOM 848 NE1 TRP A 54 -4.628 -7.836 -5.964 1.00 0.00 N ATOM 849 CE2 TRP A 54 -4.604 -9.203 -6.044 1.00 0.00 C ATOM 850 CE3 TRP A 54 -2.973 -10.979 -5.907 1.00 0.00 C ATOM 851 CZ2 TRP A 54 -5.639 -10.109 -6.256 1.00 0.00 C ATOM 852 CZ3 TRP A 54 -4.001 -11.878 -6.117 1.00 0.00 C ATOM 853 CH2 TRP A 54 -5.321 -11.440 -6.290 1.00 0.00 C ATOM 0 H TRP A 54 -1.785 -7.745 -2.836 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.393 -9.986 -4.176 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.676 -7.329 -5.534 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.496 -8.925 -6.235 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.074 -6.340 -5.639 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.459 -7.252 -6.053 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.959 -11.326 -5.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -6.657 -9.774 -6.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.784 -12.935 -6.148 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -6.103 -12.167 -6.453 1.00 0.00 H new ATOM 864 N LEU A 55 0.592 -7.039 -3.088 1.00 0.00 N ATOM 865 CA LEU A 55 1.750 -6.289 -2.615 1.00 0.00 C ATOM 866 C LEU A 55 2.192 -6.778 -1.240 1.00 0.00 C ATOM 867 O LEU A 55 1.748 -6.262 -0.214 1.00 0.00 O ATOM 868 CB LEU A 55 1.427 -4.795 -2.558 1.00 0.00 C ATOM 869 CG LEU A 55 0.395 -4.292 -3.568 1.00 0.00 C ATOM 870 CD1 LEU A 55 0.242 -2.782 -3.468 1.00 0.00 C ATOM 871 CD2 LEU A 55 0.790 -4.698 -4.980 1.00 0.00 C ATOM 0 H LEU A 55 -0.300 -6.562 -2.959 1.00 0.00 H new ATOM 0 HA LEU A 55 2.567 -6.451 -3.318 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.070 -4.559 -1.556 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.352 -4.238 -2.706 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.567 -4.750 -3.335 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.496 -2.442 -4.194 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.087 -2.515 -2.464 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.200 -2.305 -3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.044 -4.332 -5.686 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.762 -4.269 -5.224 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.847 -5.785 -5.044 1.00 0.00 H new ATOM 883 N ASP A 56 3.069 -7.776 -1.226 1.00 0.00 N ATOM 884 CA ASP A 56 3.573 -8.334 0.024 1.00 0.00 C ATOM 885 C ASP A 56 4.653 -9.377 -0.244 1.00 0.00 C ATOM 886 O ASP A 56 4.553 -10.189 -1.164 1.00 0.00 O ATOM 887 CB ASP A 56 2.431 -8.958 0.826 1.00 0.00 C ATOM 888 CG ASP A 56 2.927 -9.745 2.023 1.00 0.00 C ATOM 889 OD1 ASP A 56 3.104 -9.138 3.101 1.00 0.00 O ATOM 890 OD2 ASP A 56 3.137 -10.968 1.884 1.00 0.00 O ATOM 0 H ASP A 56 3.446 -8.215 -2.066 1.00 0.00 H new ATOM 0 HA ASP A 56 4.012 -7.523 0.605 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.757 -8.171 1.166 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.852 -9.615 0.177 1.00 0.00 H new ATOM 895 N PRO A 57 5.713 -9.356 0.578 1.00 0.00 N ATOM 896 CA PRO A 57 6.833 -10.293 0.449 1.00 0.00 C ATOM 897 C PRO A 57 6.444 -11.717 0.830 1.00 0.00 C ATOM 898 O PRO A 57 6.726 -12.665 0.096 1.00 0.00 O ATOM 899 CB PRO A 57 7.871 -9.742 1.431 1.00 0.00 C ATOM 900 CG PRO A 57 7.075 -8.987 2.439 1.00 0.00 C ATOM 901 CD PRO A 57 5.900 -8.415 1.695 1.00 0.00 C ATOM 0 HA PRO A 57 7.191 -10.361 -0.578 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.440 -10.546 1.898 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.588 -9.094 0.927 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.745 -9.642 3.246 1.00 0.00 H new ATOM 0 HG3 PRO A 57 7.671 -8.196 2.894 1.00 0.00 H new ATOM 0 HD2 PRO A 57 5.013 -8.359 2.326 1.00 0.00 H new ATOM 0 HD3 PRO A 57 6.102 -7.405 1.340 1.00 0.00 H new ATOM 909 N SER A 58 5.795 -11.861 1.981 1.00 0.00 N ATOM 910 CA SER A 58 5.369 -13.171 2.460 1.00 0.00 C ATOM 911 C SER A 58 4.744 -13.985 1.331 1.00 0.00 C ATOM 912 O SER A 58 4.975 -15.189 1.219 1.00 0.00 O ATOM 913 CB SER A 58 4.370 -13.017 3.608 1.00 0.00 C ATOM 914 OG SER A 58 4.385 -14.155 4.453 1.00 0.00 O ATOM 0 H SER A 58 5.553 -11.087 2.599 1.00 0.00 H new ATOM 0 HA SER A 58 6.249 -13.702 2.823 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.612 -12.126 4.188 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.368 -12.872 3.205 1.00 0.00 H new ATOM 0 HG SER A 58 3.739 -14.031 5.180 1.00 0.00 H new ATOM 920 N ILE A 59 3.950 -13.319 0.499 1.00 0.00 N ATOM 921 CA ILE A 59 3.292 -13.980 -0.621 1.00 0.00 C ATOM 922 C ILE A 59 4.181 -15.065 -1.218 1.00 0.00 C ATOM 923 O ILE A 59 5.377 -14.860 -1.424 1.00 0.00 O ATOM 924 CB ILE A 59 2.916 -12.975 -1.725 1.00 0.00 C ATOM 925 CG1 ILE A 59 1.913 -11.950 -1.192 1.00 0.00 C ATOM 926 CG2 ILE A 59 2.346 -13.704 -2.933 1.00 0.00 C ATOM 927 CD1 ILE A 59 1.635 -10.818 -2.157 1.00 0.00 C ATOM 0 H ILE A 59 3.747 -12.323 0.580 1.00 0.00 H new ATOM 0 HA ILE A 59 2.382 -14.434 -0.229 1.00 0.00 H new ATOM 0 HB ILE A 59 3.817 -12.446 -2.036 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.976 -12.457 -0.960 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.291 -11.535 -0.258 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.085 -12.980 -3.705 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.090 -14.398 -3.323 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.454 -14.256 -2.637 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.916 -10.130 -1.713 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.562 -10.286 -2.370 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.227 -11.222 -3.084 1.00 0.00 H new ATOM 939 N LYS A 60 3.588 -16.222 -1.496 1.00 0.00 N ATOM 940 CA LYS A 60 4.324 -17.340 -2.073 1.00 0.00 C ATOM 941 C LYS A 60 4.243 -17.317 -3.597 1.00 0.00 C ATOM 942 O LYS A 60 3.170 -17.489 -4.175 1.00 0.00 O ATOM 943 CB LYS A 60 3.774 -18.667 -1.544 1.00 0.00 C ATOM 944 CG LYS A 60 3.909 -18.823 -0.039 1.00 0.00 C ATOM 945 CD LYS A 60 3.067 -19.977 0.480 1.00 0.00 C ATOM 946 CE LYS A 60 2.628 -19.744 1.917 1.00 0.00 C ATOM 947 NZ LYS A 60 1.556 -20.692 2.330 1.00 0.00 N ATOM 0 H LYS A 60 2.599 -16.409 -1.331 1.00 0.00 H new ATOM 0 HA LYS A 60 5.369 -17.243 -1.780 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.722 -18.749 -1.817 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.296 -19.489 -2.035 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.955 -18.990 0.218 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.604 -17.899 0.452 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.189 -20.102 -0.154 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.639 -20.903 0.419 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.485 -19.854 2.581 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.269 -18.720 2.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.284 -20.501 3.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.728 -20.570 1.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.906 -21.668 2.251 1.00 0.00 H new ATOM 961 N LYS A 61 5.385 -17.104 -4.242 1.00 0.00 N ATOM 962 CA LYS A 61 5.445 -17.060 -5.698 1.00 0.00 C ATOM 963 C LYS A 61 6.227 -18.250 -6.246 1.00 0.00 C ATOM 964 O LYS A 61 6.820 -19.019 -5.488 1.00 0.00 O ATOM 965 CB LYS A 61 6.090 -15.753 -6.164 1.00 0.00 C ATOM 966 CG LYS A 61 5.128 -14.580 -6.203 1.00 0.00 C ATOM 967 CD LYS A 61 5.536 -13.559 -7.252 1.00 0.00 C ATOM 968 CE LYS A 61 6.727 -12.732 -6.792 1.00 0.00 C ATOM 969 NZ LYS A 61 6.909 -11.511 -7.624 1.00 0.00 N ATOM 0 H LYS A 61 6.282 -16.959 -3.779 1.00 0.00 H new ATOM 0 HA LYS A 61 4.426 -17.110 -6.080 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.919 -15.510 -5.500 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.511 -15.900 -7.159 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.122 -14.940 -6.417 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.094 -14.103 -5.223 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.784 -14.071 -8.182 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.695 -12.900 -7.466 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.588 -12.444 -5.750 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.630 -13.340 -6.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.730 -10.975 -7.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.067 -11.786 -8.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.057 -10.918 -7.561 1.00 0.00 H new ATOM 983 N THR A 62 6.226 -18.395 -7.567 1.00 0.00 N ATOM 984 CA THR A 62 6.935 -19.490 -8.217 1.00 0.00 C ATOM 985 C THR A 62 8.080 -18.969 -9.078 1.00 0.00 C ATOM 986 O THR A 62 8.314 -19.466 -10.180 1.00 0.00 O ATOM 987 CB THR A 62 5.989 -20.331 -9.093 1.00 0.00 C ATOM 988 OG1 THR A 62 5.218 -19.475 -9.944 1.00 0.00 O ATOM 989 CG2 THR A 62 5.057 -21.171 -8.233 1.00 0.00 C ATOM 0 H THR A 62 5.742 -17.767 -8.208 1.00 0.00 H new ATOM 0 HA THR A 62 7.338 -20.120 -7.424 1.00 0.00 H new ATOM 0 HB THR A 62 6.595 -21.000 -9.704 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.620 -20.018 -10.499 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.398 -21.756 -8.875 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.645 -21.843 -7.608 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.458 -20.517 -7.599 1.00 0.00 H new ATOM 997 N GLU A 63 8.789 -17.967 -8.570 1.00 0.00 N ATOM 998 CA GLU A 63 9.910 -17.380 -9.295 1.00 0.00 C ATOM 999 C GLU A 63 11.135 -17.252 -8.393 1.00 0.00 C ATOM 1000 O GLU A 63 11.016 -16.951 -7.206 1.00 0.00 O ATOM 1001 CB GLU A 63 9.525 -16.006 -9.847 1.00 0.00 C ATOM 1002 CG GLU A 63 8.807 -16.067 -11.185 1.00 0.00 C ATOM 1003 CD GLU A 63 8.774 -14.726 -11.891 1.00 0.00 C ATOM 1004 OE1 GLU A 63 9.731 -14.421 -12.632 1.00 0.00 O ATOM 1005 OE2 GLU A 63 7.789 -13.980 -11.703 1.00 0.00 O ATOM 0 H GLU A 63 8.608 -17.544 -7.660 1.00 0.00 H new ATOM 0 HA GLU A 63 10.159 -18.041 -10.125 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.886 -15.499 -9.124 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.426 -15.402 -9.955 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.301 -16.798 -11.825 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.786 -16.417 -11.030 1.00 0.00 H new ATOM 1012 N TRP A 64 12.310 -17.485 -8.966 1.00 0.00 N ATOM 1013 CA TRP A 64 13.557 -17.398 -8.215 1.00 0.00 C ATOM 1014 C TRP A 64 13.646 -16.076 -7.460 1.00 0.00 C ATOM 1015 O TRP A 64 13.859 -15.022 -8.059 1.00 0.00 O ATOM 1016 CB TRP A 64 14.754 -17.543 -9.156 1.00 0.00 C ATOM 1017 CG TRP A 64 15.114 -18.970 -9.443 1.00 0.00 C ATOM 1018 CD1 TRP A 64 14.359 -19.886 -10.118 1.00 0.00 C ATOM 1019 CD2 TRP A 64 16.318 -19.643 -9.061 1.00 0.00 C ATOM 1020 NE1 TRP A 64 15.021 -21.088 -10.179 1.00 0.00 N ATOM 1021 CE2 TRP A 64 16.226 -20.965 -9.539 1.00 0.00 C ATOM 1022 CE3 TRP A 64 17.467 -19.258 -8.364 1.00 0.00 C ATOM 1023 CZ2 TRP A 64 17.237 -21.901 -9.340 1.00 0.00 C ATOM 1024 CZ3 TRP A 64 18.470 -20.188 -8.167 1.00 0.00 C ATOM 1025 CH2 TRP A 64 18.351 -21.496 -8.654 1.00 0.00 C ATOM 0 H TRP A 64 12.426 -17.736 -9.948 1.00 0.00 H new ATOM 0 HA TRP A 64 13.573 -18.212 -7.490 1.00 0.00 H new ATOM 0 HB2 TRP A 64 14.533 -17.036 -10.095 1.00 0.00 H new ATOM 0 HB3 TRP A 64 15.615 -17.040 -8.717 1.00 0.00 H new ATOM 0 HD1 TRP A 64 13.384 -19.694 -10.542 1.00 0.00 H new ATOM 0 HE1 TRP A 64 14.672 -21.935 -10.628 1.00 0.00 H new ATOM 0 HE3 TRP A 64 17.569 -18.251 -7.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 17.146 -22.910 -9.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 19.361 -19.901 -7.628 1.00 0.00 H new ATOM 0 HH2 TRP A 64 19.153 -22.199 -8.485 1.00 0.00 H new ATOM 1036 N SER A 65 13.481 -16.140 -6.143 1.00 0.00 N ATOM 1037 CA SER A 65 13.539 -14.947 -5.307 1.00 0.00 C ATOM 1038 C SER A 65 13.673 -15.321 -3.834 1.00 0.00 C ATOM 1039 O SER A 65 12.762 -15.900 -3.244 1.00 0.00 O ATOM 1040 CB SER A 65 12.288 -14.090 -5.515 1.00 0.00 C ATOM 1041 OG SER A 65 12.319 -12.935 -4.695 1.00 0.00 O ATOM 0 H SER A 65 13.306 -17.005 -5.632 1.00 0.00 H new ATOM 0 HA SER A 65 14.418 -14.372 -5.600 1.00 0.00 H new ATOM 0 HB2 SER A 65 12.216 -13.795 -6.562 1.00 0.00 H new ATOM 0 HB3 SER A 65 11.399 -14.678 -5.287 1.00 0.00 H new ATOM 0 HG SER A 65 11.510 -12.404 -4.848 1.00 0.00 H new ATOM 1047 N GLY A 66 14.817 -14.986 -3.246 1.00 0.00 N ATOM 1048 CA GLY A 66 15.051 -15.295 -1.847 1.00 0.00 C ATOM 1049 C GLY A 66 16.093 -14.390 -1.220 1.00 0.00 C ATOM 1050 O GLY A 66 15.793 -13.289 -0.758 1.00 0.00 O ATOM 0 H GLY A 66 15.586 -14.506 -3.713 1.00 0.00 H new ATOM 0 HA2 GLY A 66 14.115 -15.202 -1.296 1.00 0.00 H new ATOM 0 HA3 GLY A 66 15.373 -16.332 -1.756 1.00 0.00 H new ATOM 1054 N PRO A 67 17.350 -14.856 -1.196 1.00 0.00 N ATOM 1055 CA PRO A 67 18.465 -14.097 -0.622 1.00 0.00 C ATOM 1056 C PRO A 67 18.829 -12.878 -1.461 1.00 0.00 C ATOM 1057 O PRO A 67 18.333 -12.708 -2.575 1.00 0.00 O ATOM 1058 CB PRO A 67 19.616 -15.106 -0.618 1.00 0.00 C ATOM 1059 CG PRO A 67 19.281 -16.068 -1.705 1.00 0.00 C ATOM 1060 CD PRO A 67 17.781 -16.160 -1.728 1.00 0.00 C ATOM 0 HA PRO A 67 18.223 -13.701 0.364 1.00 0.00 H new ATOM 0 HB2 PRO A 67 20.572 -14.616 -0.803 1.00 0.00 H new ATOM 0 HB3 PRO A 67 19.697 -15.610 0.345 1.00 0.00 H new ATOM 0 HG2 PRO A 67 19.666 -15.722 -2.664 1.00 0.00 H new ATOM 0 HG3 PRO A 67 19.729 -17.043 -1.515 1.00 0.00 H new ATOM 0 HD2 PRO A 67 17.404 -16.326 -2.737 1.00 0.00 H new ATOM 0 HD3 PRO A 67 17.420 -16.984 -1.113 1.00 0.00 H new ATOM 1068 N SER A 68 19.700 -12.031 -0.921 1.00 0.00 N ATOM 1069 CA SER A 68 20.128 -10.825 -1.619 1.00 0.00 C ATOM 1070 C SER A 68 18.937 -10.112 -2.252 1.00 0.00 C ATOM 1071 O SER A 68 19.004 -9.665 -3.397 1.00 0.00 O ATOM 1072 CB SER A 68 21.160 -11.172 -2.694 1.00 0.00 C ATOM 1073 OG SER A 68 20.550 -11.823 -3.795 1.00 0.00 O ATOM 0 H SER A 68 20.123 -12.158 -0.002 1.00 0.00 H new ATOM 0 HA SER A 68 20.584 -10.155 -0.890 1.00 0.00 H new ATOM 0 HB2 SER A 68 21.655 -10.263 -3.034 1.00 0.00 H new ATOM 0 HB3 SER A 68 21.931 -11.815 -2.269 1.00 0.00 H new ATOM 0 HG SER A 68 19.602 -11.977 -3.600 1.00 0.00 H new ATOM 1079 N SER A 69 17.847 -10.010 -1.498 1.00 0.00 N ATOM 1080 CA SER A 69 16.639 -9.355 -1.985 1.00 0.00 C ATOM 1081 C SER A 69 16.987 -8.157 -2.863 1.00 0.00 C ATOM 1082 O SER A 69 17.910 -7.400 -2.564 1.00 0.00 O ATOM 1083 CB SER A 69 15.768 -8.905 -0.811 1.00 0.00 C ATOM 1084 OG SER A 69 15.029 -9.991 -0.279 1.00 0.00 O ATOM 0 H SER A 69 17.776 -10.373 -0.547 1.00 0.00 H new ATOM 0 HA SER A 69 16.083 -10.075 -2.586 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.397 -8.473 -0.032 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.084 -8.122 -1.140 1.00 0.00 H new ATOM 0 HG SER A 69 14.482 -9.678 0.471 1.00 0.00 H new ATOM 1090 N GLY A 70 16.240 -7.991 -3.951 1.00 0.00 N ATOM 1091 CA GLY A 70 16.484 -6.883 -4.856 1.00 0.00 C ATOM 1092 C GLY A 70 17.724 -7.090 -5.704 1.00 0.00 C ATOM 1093 O GLY A 70 17.869 -6.478 -6.762 1.00 0.00 O ATOM 0 H GLY A 70 15.471 -8.604 -4.221 1.00 0.00 H new ATOM 0 HA2 GLY A 70 15.620 -6.753 -5.507 1.00 0.00 H new ATOM 0 HA3 GLY A 70 16.591 -5.964 -4.280 1.00 0.00 H new TER 1097 GLY A 70