USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 842 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: B 210 LYS NZ :NH3+ 150:sc= 1.35 (180deg=1.1) USER MOD Set 1.2: B 213 ASN : amide:sc= 0.194 K(o=1.5,f=-4!) USER MOD Set 2.1: A 29 LYS NZ :NH3+ 166:sc= -0.0526 (180deg=-0.555) USER MOD Set 2.2: A 74 CYS SG : rot -21:sc= -1.4 USER MOD Single : A 1 SER N :NH3+ 171:sc= -0.106 (180deg=-0.146) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 CYS SG : rot 45:sc= 0.826 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl -132:sc= -4.97! (180deg=-9.17!) USER MOD Single : A 11 SER OG : rot -81:sc= 1.25 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -109:sc= 0.146 (180deg=-0.805) USER MOD Single : A 17 GLN : amide:sc= -0.186 K(o=-0.19,f=-1.1) USER MOD Single : A 19 SER OG : rot 77:sc= 0.949 USER MOD Single : A 23 ASN : amide:sc= -4.07! C(o=-4.1!,f=-7.3!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.011 X(o=-0.011,f=0) USER MOD Single : A 38 GLN : amide:sc= -1.07 X(o=-1.1,f=-1.4) USER MOD Single : A 39 SER OG : rot -32:sc= 1.18 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 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.845 K(o=-0.84,f=-6.8!) USER MOD Single : A 58 THR OG1 : rot -28:sc= -0.575 USER MOD Single : A 60 LYS NZ :NH3+ -168:sc= 1.67 (180deg=1.26) USER MOD Single : A 62 SER OG : rot -170:sc= -0.93 USER MOD Single : A 63 THR OG1 : rot 163:sc= 0.893 USER MOD Single : A 70 TYR OH : rot -10:sc= 1.1 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 73 SER OG : rot -85:sc= 1.31 USER MOD Single : A 77 LYS NZ :NH3+ 164:sc= -0.0778 (180deg=-0.359) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.191 K(o=-0.19,f=-0.85) USER MOD Single : B 201 LYS NZ :NH3+ -158:sc= 1.27 (180deg=1.06) USER MOD Single : B 203 THR OG1 : rot 180:sc= 0.00362 USER MOD Single : B 208 LYS NZ :NH3+ 160:sc= 0.738 (180deg=-0.813!) USER MOD Single : B 211 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -23.294 2.718 7.598 1.00 0.00 N ATOM 2 CA SER A 1 -22.803 1.507 6.908 1.00 0.00 C ATOM 3 C SER A 1 -22.792 1.702 5.393 1.00 0.00 C ATOM 4 O SER A 1 -22.729 0.736 4.634 1.00 0.00 O ATOM 5 CB SER A 1 -23.687 0.309 7.281 1.00 0.00 C ATOM 6 OG SER A 1 -23.662 0.077 8.680 1.00 0.00 O ATOM 0 H1 SER A 1 -23.436 2.509 8.607 1.00 0.00 H new ATOM 0 H2 SER A 1 -22.596 3.482 7.497 1.00 0.00 H new ATOM 0 H3 SER A 1 -24.197 3.016 7.176 1.00 0.00 H new ATOM 0 HA SER A 1 -21.779 1.318 7.228 1.00 0.00 H new ATOM 0 HB2 SER A 1 -24.711 0.493 6.957 1.00 0.00 H new ATOM 0 HB3 SER A 1 -23.341 -0.581 6.755 1.00 0.00 H new ATOM 0 HG SER A 1 -24.233 -0.690 8.895 1.00 0.00 H new ATOM 14 N GLU A 2 -22.863 2.953 4.952 1.00 0.00 N ATOM 15 CA GLU A 2 -22.819 3.252 3.524 1.00 0.00 C ATOM 16 C GLU A 2 -21.412 3.648 3.083 1.00 0.00 C ATOM 17 O GLU A 2 -21.203 4.027 1.935 1.00 0.00 O ATOM 18 CB GLU A 2 -23.818 4.355 3.153 1.00 0.00 C ATOM 19 CG GLU A 2 -25.249 3.864 2.970 1.00 0.00 C ATOM 20 CD GLU A 2 -26.189 4.971 2.546 1.00 0.00 C ATOM 21 OE1 GLU A 2 -26.456 5.100 1.335 1.00 0.00 O ATOM 22 OE2 GLU A 2 -26.668 5.720 3.422 1.00 0.00 O ATOM 0 H GLU A 2 -22.951 3.770 5.556 1.00 0.00 H new ATOM 0 HA GLU A 2 -23.102 2.341 2.997 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -23.804 5.119 3.930 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -23.489 4.833 2.230 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -25.265 3.071 2.222 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -25.603 3.428 3.904 1.00 0.00 H new ATOM 29 N GLU A 3 -20.449 3.538 3.995 1.00 0.00 N ATOM 30 CA GLU A 3 -19.082 3.973 3.735 1.00 0.00 C ATOM 31 C GLU A 3 -18.449 3.100 2.659 1.00 0.00 C ATOM 32 O GLU A 3 -17.925 3.600 1.666 1.00 0.00 O ATOM 33 CB GLU A 3 -18.252 3.890 5.023 1.00 0.00 C ATOM 34 CG GLU A 3 -16.909 4.596 4.946 1.00 0.00 C ATOM 35 CD GLU A 3 -17.047 6.094 4.769 1.00 0.00 C ATOM 36 OE1 GLU A 3 -17.510 6.771 5.717 1.00 0.00 O ATOM 37 OE2 GLU A 3 -16.679 6.605 3.693 1.00 0.00 O ATOM 0 H GLU A 3 -20.593 3.148 4.926 1.00 0.00 H new ATOM 0 HA GLU A 3 -19.103 5.006 3.388 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -18.829 4.320 5.842 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -18.085 2.841 5.267 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -16.343 4.392 5.855 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -16.335 4.187 4.114 1.00 0.00 H new ATOM 44 N GLU A 4 -18.542 1.795 2.855 1.00 0.00 N ATOM 45 CA GLU A 4 -17.918 0.827 1.965 1.00 0.00 C ATOM 46 C GLU A 4 -18.528 0.861 0.563 1.00 0.00 C ATOM 47 O GLU A 4 -17.857 0.543 -0.419 1.00 0.00 O ATOM 48 CB GLU A 4 -18.014 -0.590 2.552 1.00 0.00 C ATOM 49 CG GLU A 4 -19.390 -0.953 3.105 1.00 0.00 C ATOM 50 CD GLU A 4 -19.566 -0.561 4.563 1.00 0.00 C ATOM 51 OE1 GLU A 4 -19.482 -1.453 5.436 1.00 0.00 O ATOM 52 OE2 GLU A 4 -19.786 0.633 4.846 1.00 0.00 O ATOM 0 H GLU A 4 -19.051 1.376 3.634 1.00 0.00 H new ATOM 0 HA GLU A 4 -16.868 1.104 1.874 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -17.746 -1.309 1.778 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -17.278 -0.690 3.349 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -20.157 -0.461 2.507 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -19.545 -2.027 3.002 1.00 0.00 H new ATOM 59 N ASP A 5 -19.789 1.260 0.465 1.00 0.00 N ATOM 60 CA ASP A 5 -20.465 1.310 -0.829 1.00 0.00 C ATOM 61 C ASP A 5 -20.431 2.718 -1.411 1.00 0.00 C ATOM 62 O ASP A 5 -21.005 2.981 -2.468 1.00 0.00 O ATOM 63 CB ASP A 5 -21.913 0.812 -0.718 1.00 0.00 C ATOM 64 CG ASP A 5 -21.998 -0.682 -0.475 1.00 0.00 C ATOM 65 OD1 ASP A 5 -22.164 -1.093 0.693 1.00 0.00 O ATOM 66 OD2 ASP A 5 -21.893 -1.453 -1.455 1.00 0.00 O ATOM 0 H ASP A 5 -20.362 1.552 1.257 1.00 0.00 H new ATOM 0 HA ASP A 5 -19.927 0.646 -1.506 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -22.413 1.338 0.095 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -22.450 1.059 -1.634 1.00 0.00 H new ATOM 71 N LYS A 6 -19.742 3.619 -0.722 1.00 0.00 N ATOM 72 CA LYS A 6 -19.605 4.997 -1.174 1.00 0.00 C ATOM 73 C LYS A 6 -18.166 5.249 -1.609 1.00 0.00 C ATOM 74 O LYS A 6 -17.809 6.337 -2.073 1.00 0.00 O ATOM 75 CB LYS A 6 -20.013 5.948 -0.041 1.00 0.00 C ATOM 76 CG LYS A 6 -20.007 7.424 -0.408 1.00 0.00 C ATOM 77 CD LYS A 6 -20.629 8.270 0.691 1.00 0.00 C ATOM 78 CE LYS A 6 -19.892 8.123 2.014 1.00 0.00 C ATOM 79 NZ LYS A 6 -20.545 8.903 3.099 1.00 0.00 N ATOM 0 H LYS A 6 -19.267 3.418 0.158 1.00 0.00 H new ATOM 0 HA LYS A 6 -20.258 5.177 -2.028 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -21.013 5.677 0.298 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -19.339 5.796 0.802 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -18.983 7.752 -0.587 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -20.556 7.572 -1.338 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -20.624 9.317 0.388 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -21.672 7.981 0.824 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -19.855 7.070 2.295 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -18.861 8.458 1.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -20.014 8.778 3.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -20.558 9.911 2.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -21.520 8.567 3.230 1.00 0.00 H new ATOM 93 N CYS A 7 -17.344 4.222 -1.466 1.00 0.00 N ATOM 94 CA CYS A 7 -15.938 4.316 -1.805 1.00 0.00 C ATOM 95 C CYS A 7 -15.745 4.370 -3.314 1.00 0.00 C ATOM 96 O CYS A 7 -16.279 3.534 -4.048 1.00 0.00 O ATOM 97 CB CYS A 7 -15.187 3.111 -1.244 1.00 0.00 C ATOM 98 SG CYS A 7 -15.287 2.933 0.553 1.00 0.00 S ATOM 0 H CYS A 7 -17.631 3.309 -1.115 1.00 0.00 H new ATOM 0 HA CYS A 7 -15.544 5.234 -1.368 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -15.580 2.206 -1.708 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -14.138 3.187 -1.531 1.00 0.00 H new ATOM 0 HG CYS A 7 -16.513 3.126 0.941 1.00 0.00 H new ATOM 104 N LYS A 8 -15.004 5.363 -3.773 1.00 0.00 N ATOM 105 CA LYS A 8 -14.622 5.456 -5.148 1.00 0.00 C ATOM 106 C LYS A 8 -13.490 4.464 -5.422 1.00 0.00 C ATOM 107 O LYS A 8 -12.464 4.487 -4.741 1.00 0.00 O ATOM 108 CB LYS A 8 -14.178 6.910 -5.387 1.00 0.00 C ATOM 109 CG LYS A 8 -13.270 7.151 -6.590 1.00 0.00 C ATOM 110 CD LYS A 8 -14.016 7.280 -7.917 1.00 0.00 C ATOM 111 CE LYS A 8 -13.123 7.868 -9.017 1.00 0.00 C ATOM 112 NZ LYS A 8 -13.833 7.938 -10.322 1.00 0.00 N ATOM 0 H LYS A 8 -14.655 6.124 -3.191 1.00 0.00 H new ATOM 0 HA LYS A 8 -15.441 5.207 -5.823 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -15.070 7.525 -5.503 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.662 7.262 -4.493 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.693 8.060 -6.420 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -12.557 6.330 -6.664 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -14.378 6.300 -8.228 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.892 7.915 -7.782 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.797 8.866 -8.726 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.226 7.258 -9.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -13.199 8.340 -11.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.122 6.982 -10.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -14.675 8.541 -10.227 1.00 0.00 H new ATOM 126 N PRO A 9 -13.665 3.567 -6.403 1.00 0.00 N ATOM 127 CA PRO A 9 -12.659 2.549 -6.717 1.00 0.00 C ATOM 128 C PRO A 9 -11.353 3.173 -7.185 1.00 0.00 C ATOM 129 O PRO A 9 -11.352 4.100 -7.996 1.00 0.00 O ATOM 130 CB PRO A 9 -13.304 1.720 -7.834 1.00 0.00 C ATOM 131 CG PRO A 9 -14.368 2.593 -8.406 1.00 0.00 C ATOM 132 CD PRO A 9 -14.840 3.476 -7.284 1.00 0.00 C ATOM 0 HA PRO A 9 -12.395 1.950 -5.845 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.571 1.444 -8.592 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.723 0.793 -7.444 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -13.979 3.189 -9.232 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.189 1.996 -8.802 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -15.147 4.457 -7.647 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.697 3.045 -6.767 1.00 0.00 H new ATOM 140 N MET A 10 -10.250 2.680 -6.646 1.00 0.00 N ATOM 141 CA MET A 10 -8.940 3.200 -6.982 1.00 0.00 C ATOM 142 C MET A 10 -8.559 2.778 -8.396 1.00 0.00 C ATOM 143 O MET A 10 -8.399 1.588 -8.678 1.00 0.00 O ATOM 144 CB MET A 10 -7.893 2.720 -5.978 1.00 0.00 C ATOM 145 CG MET A 10 -6.572 3.455 -6.119 1.00 0.00 C ATOM 146 SD MET A 10 -6.628 5.139 -5.489 1.00 0.00 S ATOM 147 CE MET A 10 -6.058 4.912 -3.812 1.00 0.00 C ATOM 0 H MET A 10 -10.239 1.916 -5.970 1.00 0.00 H new ATOM 0 HA MET A 10 -8.976 4.289 -6.938 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.275 2.857 -4.966 1.00 0.00 H new ATOM 0 HB3 MET A 10 -7.727 1.651 -6.114 1.00 0.00 H new ATOM 0 HG2 MET A 10 -5.797 2.901 -5.589 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.286 3.477 -7.171 1.00 0.00 H new ATOM 0 HE1 MET A 10 -6.728 5.430 -3.127 1.00 0.00 H new ATOM 0 HE2 MET A 10 -6.046 3.849 -3.573 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.051 5.318 -3.712 1.00 0.00 H new ATOM 157 N SER A 11 -8.430 3.759 -9.281 1.00 0.00 N ATOM 158 CA SER A 11 -8.159 3.494 -10.689 1.00 0.00 C ATOM 159 C SER A 11 -6.717 3.034 -10.895 1.00 0.00 C ATOM 160 O SER A 11 -5.922 3.038 -9.956 1.00 0.00 O ATOM 161 CB SER A 11 -8.451 4.750 -11.520 1.00 0.00 C ATOM 162 OG SER A 11 -7.689 5.855 -11.061 1.00 0.00 O ATOM 0 H SER A 11 -8.509 4.749 -9.048 1.00 0.00 H new ATOM 0 HA SER A 11 -8.813 2.688 -11.022 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.223 4.557 -12.568 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.513 4.988 -11.464 1.00 0.00 H new ATOM 0 HG SER A 11 -8.128 6.253 -10.280 1.00 0.00 H new ATOM 168 N TYR A 12 -6.382 2.650 -12.125 1.00 0.00 N ATOM 169 CA TYR A 12 -5.067 2.088 -12.433 1.00 0.00 C ATOM 170 C TYR A 12 -3.939 3.031 -12.044 1.00 0.00 C ATOM 171 O TYR A 12 -3.063 2.669 -11.261 1.00 0.00 O ATOM 172 CB TYR A 12 -4.958 1.749 -13.925 1.00 0.00 C ATOM 173 CG TYR A 12 -3.532 1.498 -14.388 1.00 0.00 C ATOM 174 CD1 TYR A 12 -2.695 0.641 -13.687 1.00 0.00 C ATOM 175 CD2 TYR A 12 -3.023 2.131 -15.516 1.00 0.00 C ATOM 176 CE1 TYR A 12 -1.394 0.422 -14.089 1.00 0.00 C ATOM 177 CE2 TYR A 12 -1.720 1.914 -15.927 1.00 0.00 C ATOM 178 CZ TYR A 12 -0.911 1.059 -15.209 1.00 0.00 C ATOM 179 OH TYR A 12 0.389 0.844 -15.607 1.00 0.00 O ATOM 0 H TYR A 12 -7.006 2.718 -12.929 1.00 0.00 H new ATOM 0 HA TYR A 12 -4.967 1.177 -11.844 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -5.560 0.865 -14.133 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -5.382 2.567 -14.507 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.070 0.136 -12.809 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.654 2.802 -16.080 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -0.758 -0.246 -13.528 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.338 2.412 -16.806 1.00 0.00 H new ATOM 0 HH TYR A 12 0.574 1.366 -16.415 1.00 0.00 H new ATOM 189 N GLU A 13 -3.960 4.233 -12.588 1.00 0.00 N ATOM 190 CA GLU A 13 -2.883 5.182 -12.359 1.00 0.00 C ATOM 191 C GLU A 13 -2.838 5.615 -10.900 1.00 0.00 C ATOM 192 O GLU A 13 -1.830 6.144 -10.431 1.00 0.00 O ATOM 193 CB GLU A 13 -3.033 6.386 -13.284 1.00 0.00 C ATOM 194 CG GLU A 13 -2.855 6.026 -14.749 1.00 0.00 C ATOM 195 CD GLU A 13 -3.144 7.188 -15.674 1.00 0.00 C ATOM 196 OE1 GLU A 13 -2.314 8.116 -15.745 1.00 0.00 O ATOM 197 OE2 GLU A 13 -4.202 7.179 -16.340 1.00 0.00 O ATOM 0 H GLU A 13 -4.708 4.576 -13.190 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.937 4.690 -12.586 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.019 6.829 -13.140 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.300 7.144 -13.009 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.834 5.681 -14.913 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.516 5.195 -14.998 1.00 0.00 H new ATOM 204 N GLU A 14 -3.918 5.363 -10.177 1.00 0.00 N ATOM 205 CA GLU A 14 -3.945 5.632 -8.757 1.00 0.00 C ATOM 206 C GLU A 14 -3.340 4.457 -8.012 1.00 0.00 C ATOM 207 O GLU A 14 -2.520 4.641 -7.125 1.00 0.00 O ATOM 208 CB GLU A 14 -5.368 5.879 -8.277 1.00 0.00 C ATOM 209 CG GLU A 14 -5.955 7.208 -8.707 1.00 0.00 C ATOM 210 CD GLU A 14 -7.343 7.434 -8.140 1.00 0.00 C ATOM 211 OE1 GLU A 14 -8.321 6.942 -8.744 1.00 0.00 O ATOM 212 OE2 GLU A 14 -7.464 8.110 -7.094 1.00 0.00 O ATOM 0 H GLU A 14 -4.782 4.974 -10.553 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.362 6.531 -8.559 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.007 5.077 -8.647 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.385 5.824 -7.189 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.297 8.015 -8.384 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.998 7.248 -9.795 1.00 0.00 H new ATOM 219 N LYS A 15 -3.762 3.254 -8.382 1.00 0.00 N ATOM 220 CA LYS A 15 -3.180 2.031 -7.868 1.00 0.00 C ATOM 221 C LYS A 15 -1.675 1.984 -8.087 1.00 0.00 C ATOM 222 O LYS A 15 -0.909 1.720 -7.159 1.00 0.00 O ATOM 223 CB LYS A 15 -3.821 0.823 -8.537 1.00 0.00 C ATOM 224 CG LYS A 15 -5.203 0.499 -8.007 1.00 0.00 C ATOM 225 CD LYS A 15 -5.593 -0.927 -8.349 1.00 0.00 C ATOM 226 CE LYS A 15 -6.793 -1.406 -7.547 1.00 0.00 C ATOM 227 NZ LYS A 15 -7.354 -2.662 -8.106 1.00 0.00 N ATOM 0 H LYS A 15 -4.519 3.104 -9.049 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.370 2.008 -6.795 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.886 1.004 -9.610 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.175 -0.044 -8.398 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.224 0.637 -6.926 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.931 1.191 -8.431 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.820 -0.994 -9.413 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.747 -1.588 -8.162 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.498 -1.568 -6.510 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.561 -0.633 -7.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.271 -2.463 -8.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.699 -3.050 -8.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.486 -3.354 -7.341 1.00 0.00 H new ATOM 241 N ARG A 16 -1.265 2.220 -9.325 1.00 0.00 N ATOM 242 CA ARG A 16 0.143 2.251 -9.678 1.00 0.00 C ATOM 243 C ARG A 16 0.884 3.281 -8.854 1.00 0.00 C ATOM 244 O ARG A 16 1.958 2.992 -8.322 1.00 0.00 O ATOM 245 CB ARG A 16 0.303 2.529 -11.181 1.00 0.00 C ATOM 246 CG ARG A 16 1.584 3.268 -11.556 1.00 0.00 C ATOM 247 CD ARG A 16 1.806 3.295 -13.059 1.00 0.00 C ATOM 248 NE ARG A 16 2.819 4.275 -13.448 1.00 0.00 N ATOM 249 CZ ARG A 16 2.827 4.914 -14.618 1.00 0.00 C ATOM 250 NH1 ARG A 16 1.888 4.667 -15.524 1.00 0.00 N ATOM 251 NH2 ARG A 16 3.777 5.801 -14.882 1.00 0.00 N ATOM 0 H ARG A 16 -1.896 2.394 -10.107 1.00 0.00 H new ATOM 0 HA ARG A 16 0.579 1.277 -9.457 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.276 1.581 -11.718 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.551 3.113 -11.522 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.537 4.289 -11.178 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.435 2.788 -11.072 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.111 2.305 -13.398 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.866 3.528 -13.560 1.00 0.00 H new ATOM 0 HE ARG A 16 3.565 4.482 -12.784 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.155 3.985 -15.326 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.899 5.159 -16.417 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.501 5.994 -14.190 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.784 6.290 -15.777 1.00 0.00 H new ATOM 265 N GLN A 17 0.309 4.468 -8.715 1.00 0.00 N ATOM 266 CA GLN A 17 0.970 5.491 -7.943 1.00 0.00 C ATOM 267 C GLN A 17 0.949 5.120 -6.466 1.00 0.00 C ATOM 268 O GLN A 17 1.940 5.287 -5.782 1.00 0.00 O ATOM 269 CB GLN A 17 0.374 6.884 -8.202 1.00 0.00 C ATOM 270 CG GLN A 17 1.247 7.997 -7.660 1.00 0.00 C ATOM 271 CD GLN A 17 2.645 7.961 -8.245 1.00 0.00 C ATOM 272 OE1 GLN A 17 2.842 7.571 -9.399 1.00 0.00 O ATOM 273 NE2 GLN A 17 3.631 8.336 -7.448 1.00 0.00 N ATOM 0 H GLN A 17 -0.589 4.735 -9.118 1.00 0.00 H new ATOM 0 HA GLN A 17 2.010 5.548 -8.265 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.237 7.023 -9.274 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.613 6.945 -7.744 1.00 0.00 H new ATOM 0 HG2 GLN A 17 0.786 8.959 -7.882 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.306 7.915 -6.575 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.428 8.653 -6.500 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.595 8.309 -7.781 1.00 0.00 H new ATOM 282 N LEU A 18 -0.156 4.542 -6.014 1.00 0.00 N ATOM 283 CA LEU A 18 -0.314 4.110 -4.634 1.00 0.00 C ATOM 284 C LEU A 18 0.766 3.130 -4.254 1.00 0.00 C ATOM 285 O LEU A 18 1.447 3.307 -3.250 1.00 0.00 O ATOM 286 CB LEU A 18 -1.677 3.457 -4.417 1.00 0.00 C ATOM 287 CG LEU A 18 -2.650 4.218 -3.511 1.00 0.00 C ATOM 288 CD1 LEU A 18 -3.123 3.360 -2.359 1.00 0.00 C ATOM 289 CD2 LEU A 18 -2.032 5.490 -2.969 1.00 0.00 C ATOM 0 H LEU A 18 -0.972 4.359 -6.599 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.237 4.997 -4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.150 3.318 -5.389 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.519 2.465 -3.995 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.507 4.481 -4.131 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.812 3.933 -1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.632 2.478 -2.747 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.266 3.050 -1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.753 6.002 -2.331 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.143 5.244 -2.388 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.754 6.141 -3.798 1.00 0.00 H new ATOM 301 N SER A 19 0.920 2.100 -5.071 1.00 0.00 N ATOM 302 CA SER A 19 1.941 1.098 -4.850 1.00 0.00 C ATOM 303 C SER A 19 3.309 1.767 -4.747 1.00 0.00 C ATOM 304 O SER A 19 4.184 1.326 -4.000 1.00 0.00 O ATOM 305 CB SER A 19 1.932 0.089 -5.992 1.00 0.00 C ATOM 306 OG SER A 19 0.624 -0.410 -6.220 1.00 0.00 O ATOM 0 H SER A 19 0.345 1.939 -5.898 1.00 0.00 H new ATOM 0 HA SER A 19 1.734 0.574 -3.917 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.309 0.559 -6.900 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.604 -0.736 -5.758 1.00 0.00 H new ATOM 0 HG SER A 19 0.096 0.263 -6.698 1.00 0.00 H new ATOM 312 N LEU A 20 3.471 2.847 -5.503 1.00 0.00 N ATOM 313 CA LEU A 20 4.693 3.646 -5.469 1.00 0.00 C ATOM 314 C LEU A 20 4.786 4.518 -4.203 1.00 0.00 C ATOM 315 O LEU A 20 5.798 4.479 -3.512 1.00 0.00 O ATOM 316 CB LEU A 20 4.783 4.515 -6.724 1.00 0.00 C ATOM 317 CG LEU A 20 4.947 3.744 -8.032 1.00 0.00 C ATOM 318 CD1 LEU A 20 4.846 4.673 -9.232 1.00 0.00 C ATOM 319 CD2 LEU A 20 6.268 3.004 -8.039 1.00 0.00 C ATOM 0 H LEU A 20 2.765 3.193 -6.153 1.00 0.00 H new ATOM 0 HA LEU A 20 5.536 2.956 -5.443 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.883 5.126 -6.790 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.625 5.199 -6.615 1.00 0.00 H new ATOM 0 HG LEU A 20 4.138 3.018 -8.105 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.966 4.097 -10.149 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.871 5.159 -9.234 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.629 5.430 -9.173 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.374 2.458 -8.976 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.086 3.718 -7.941 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.297 2.303 -7.205 1.00 0.00 H new ATOM 331 N ASP A 21 3.751 5.312 -3.904 1.00 0.00 N ATOM 332 CA ASP A 21 3.723 6.123 -2.697 1.00 0.00 C ATOM 333 C ASP A 21 3.965 5.248 -1.474 1.00 0.00 C ATOM 334 O ASP A 21 4.708 5.608 -0.554 1.00 0.00 O ATOM 335 CB ASP A 21 2.400 6.855 -2.552 1.00 0.00 C ATOM 336 CG ASP A 21 1.774 7.317 -3.851 1.00 0.00 C ATOM 337 OD1 ASP A 21 0.553 7.129 -4.028 1.00 0.00 O ATOM 338 OD2 ASP A 21 2.491 7.933 -4.673 1.00 0.00 O ATOM 0 H ASP A 21 2.921 5.405 -4.490 1.00 0.00 H new ATOM 0 HA ASP A 21 4.516 6.867 -2.775 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.695 6.200 -2.040 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.552 7.724 -1.911 1.00 0.00 H new ATOM 343 N ILE A 22 3.358 4.077 -1.503 1.00 0.00 N ATOM 344 CA ILE A 22 3.503 3.100 -0.439 1.00 0.00 C ATOM 345 C ILE A 22 4.936 2.566 -0.375 1.00 0.00 C ATOM 346 O ILE A 22 5.502 2.432 0.703 1.00 0.00 O ATOM 347 CB ILE A 22 2.492 1.942 -0.610 1.00 0.00 C ATOM 348 CG1 ILE A 22 1.064 2.437 -0.366 1.00 0.00 C ATOM 349 CG2 ILE A 22 2.800 0.805 0.340 1.00 0.00 C ATOM 350 CD1 ILE A 22 0.007 1.491 -0.883 1.00 0.00 C ATOM 0 H ILE A 22 2.750 3.775 -2.265 1.00 0.00 H new ATOM 0 HA ILE A 22 3.288 3.600 0.505 1.00 0.00 H new ATOM 0 HB ILE A 22 2.578 1.576 -1.633 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.916 2.586 0.704 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.937 3.409 -0.844 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.073 0.005 0.198 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.802 0.425 0.140 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.747 1.165 1.368 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.981 1.902 -0.678 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.130 1.361 -1.958 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.109 0.526 -0.387 1.00 0.00 H new ATOM 362 N ASN A 23 5.538 2.307 -1.528 1.00 0.00 N ATOM 363 CA ASN A 23 6.897 1.769 -1.563 1.00 0.00 C ATOM 364 C ASN A 23 7.932 2.852 -1.247 1.00 0.00 C ATOM 365 O ASN A 23 9.098 2.545 -0.981 1.00 0.00 O ATOM 366 CB ASN A 23 7.189 1.097 -2.917 1.00 0.00 C ATOM 367 CG ASN A 23 7.998 1.947 -3.889 1.00 0.00 C ATOM 368 OD1 ASN A 23 7.451 2.690 -4.697 1.00 0.00 O ATOM 369 ND2 ASN A 23 9.311 1.816 -3.840 1.00 0.00 N ATOM 0 H ASN A 23 5.115 2.458 -2.444 1.00 0.00 H new ATOM 0 HA ASN A 23 6.973 1.006 -0.788 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.726 0.166 -2.737 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.242 0.833 -3.388 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.900 2.341 -4.486 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.736 1.190 -3.156 1.00 0.00 H new ATOM 376 N LYS A 24 7.507 4.116 -1.277 1.00 0.00 N ATOM 377 CA LYS A 24 8.369 5.218 -0.868 1.00 0.00 C ATOM 378 C LYS A 24 8.617 5.181 0.631 1.00 0.00 C ATOM 379 O LYS A 24 9.651 5.655 1.112 1.00 0.00 O ATOM 380 CB LYS A 24 7.749 6.562 -1.228 1.00 0.00 C ATOM 381 CG LYS A 24 7.661 6.818 -2.715 1.00 0.00 C ATOM 382 CD LYS A 24 6.967 8.138 -2.997 1.00 0.00 C ATOM 383 CE LYS A 24 6.533 8.255 -4.443 1.00 0.00 C ATOM 384 NZ LYS A 24 7.691 8.302 -5.379 1.00 0.00 N ATOM 0 H LYS A 24 6.575 4.398 -1.579 1.00 0.00 H new ATOM 0 HA LYS A 24 9.314 5.103 -1.399 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.748 6.615 -0.800 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.335 7.357 -0.767 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.662 6.830 -3.146 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.116 6.006 -3.196 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.096 8.235 -2.348 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.640 8.960 -2.753 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.896 7.408 -4.699 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.931 9.155 -4.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.344 8.382 -6.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.286 9.125 -5.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.252 7.432 -5.281 1.00 0.00 H new ATOM 398 N LEU A 25 7.646 4.646 1.366 1.00 0.00 N ATOM 399 CA LEU A 25 7.740 4.544 2.810 1.00 0.00 C ATOM 400 C LEU A 25 8.933 3.703 3.231 1.00 0.00 C ATOM 401 O LEU A 25 9.279 2.716 2.578 1.00 0.00 O ATOM 402 CB LEU A 25 6.485 3.901 3.390 1.00 0.00 C ATOM 403 CG LEU A 25 5.153 4.430 2.883 1.00 0.00 C ATOM 404 CD1 LEU A 25 4.041 3.570 3.441 1.00 0.00 C ATOM 405 CD2 LEU A 25 4.948 5.875 3.300 1.00 0.00 C ATOM 0 H LEU A 25 6.780 4.275 0.976 1.00 0.00 H new ATOM 0 HA LEU A 25 7.855 5.559 3.189 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.526 2.831 3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.510 4.022 4.473 1.00 0.00 H new ATOM 0 HG LEU A 25 5.146 4.391 1.794 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.080 3.941 3.084 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.178 2.540 3.112 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.063 3.609 4.530 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.988 6.229 2.925 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.961 5.945 4.388 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.748 6.490 2.887 1.00 0.00 H new ATOM 417 N PRO A 26 9.584 4.101 4.327 1.00 0.00 N ATOM 418 CA PRO A 26 10.590 3.269 4.980 1.00 0.00 C ATOM 419 C PRO A 26 9.985 1.938 5.428 1.00 0.00 C ATOM 420 O PRO A 26 8.770 1.854 5.632 1.00 0.00 O ATOM 421 CB PRO A 26 11.042 4.086 6.195 1.00 0.00 C ATOM 422 CG PRO A 26 10.512 5.473 5.996 1.00 0.00 C ATOM 423 CD PRO A 26 9.400 5.405 4.980 1.00 0.00 C ATOM 0 HA PRO A 26 11.416 3.026 4.312 1.00 0.00 H new ATOM 0 HB2 PRO A 26 10.658 3.653 7.118 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.129 4.094 6.275 1.00 0.00 H new ATOM 0 HG2 PRO A 26 10.143 5.879 6.938 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.304 6.138 5.651 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.422 5.477 5.455 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.467 6.222 4.262 1.00 0.00 H new ATOM 431 N GLY A 27 10.822 0.914 5.582 1.00 0.00 N ATOM 432 CA GLY A 27 10.338 -0.437 5.844 1.00 0.00 C ATOM 433 C GLY A 27 9.305 -0.513 6.959 1.00 0.00 C ATOM 434 O GLY A 27 8.275 -1.176 6.814 1.00 0.00 O ATOM 0 H GLY A 27 11.837 0.995 5.530 1.00 0.00 H new ATOM 0 HA2 GLY A 27 9.903 -0.841 4.930 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.185 -1.073 6.102 1.00 0.00 H new ATOM 438 N GLU A 28 9.575 0.188 8.058 1.00 0.00 N ATOM 439 CA GLU A 28 8.682 0.213 9.216 1.00 0.00 C ATOM 440 C GLU A 28 7.278 0.686 8.829 1.00 0.00 C ATOM 441 O GLU A 28 6.272 0.157 9.307 1.00 0.00 O ATOM 442 CB GLU A 28 9.256 1.144 10.289 1.00 0.00 C ATOM 443 CG GLU A 28 8.467 1.149 11.588 1.00 0.00 C ATOM 444 CD GLU A 28 8.565 -0.166 12.337 1.00 0.00 C ATOM 445 OE1 GLU A 28 7.639 -0.999 12.222 1.00 0.00 O ATOM 446 OE2 GLU A 28 9.576 -0.378 13.039 1.00 0.00 O ATOM 0 H GLU A 28 10.416 0.753 8.172 1.00 0.00 H new ATOM 0 HA GLU A 28 8.605 -0.802 9.605 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.283 0.848 10.501 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.292 2.159 9.894 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.831 1.954 12.226 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.420 1.362 11.372 1.00 0.00 H new ATOM 453 N LYS A 29 7.213 1.663 7.939 1.00 0.00 N ATOM 454 CA LYS A 29 5.945 2.267 7.565 1.00 0.00 C ATOM 455 C LYS A 29 5.143 1.347 6.651 1.00 0.00 C ATOM 456 O LYS A 29 3.916 1.390 6.631 1.00 0.00 O ATOM 457 CB LYS A 29 6.168 3.619 6.889 1.00 0.00 C ATOM 458 CG LYS A 29 6.504 4.779 7.841 1.00 0.00 C ATOM 459 CD LYS A 29 5.908 4.637 9.238 1.00 0.00 C ATOM 460 CE LYS A 29 6.406 5.754 10.139 1.00 0.00 C ATOM 461 NZ LYS A 29 6.672 7.011 9.388 1.00 0.00 N ATOM 0 H LYS A 29 8.025 2.055 7.462 1.00 0.00 H new ATOM 0 HA LYS A 29 5.372 2.423 8.479 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.978 3.517 6.166 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.271 3.879 6.328 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.588 4.860 7.927 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.149 5.710 7.400 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.820 4.664 9.181 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.181 3.670 9.661 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.667 5.948 10.916 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.319 5.433 10.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.778 7.800 10.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.547 6.907 8.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.878 7.206 8.746 1.00 0.00 H new ATOM 475 N LEU A 30 5.824 0.486 5.921 1.00 0.00 N ATOM 476 CA LEU A 30 5.127 -0.493 5.103 1.00 0.00 C ATOM 477 C LEU A 30 4.531 -1.577 5.991 1.00 0.00 C ATOM 478 O LEU A 30 3.657 -2.330 5.568 1.00 0.00 O ATOM 479 CB LEU A 30 6.048 -1.087 4.044 1.00 0.00 C ATOM 480 CG LEU A 30 6.448 -0.128 2.932 1.00 0.00 C ATOM 481 CD1 LEU A 30 7.924 -0.243 2.610 1.00 0.00 C ATOM 482 CD2 LEU A 30 5.628 -0.406 1.699 1.00 0.00 C ATOM 0 H LEU A 30 6.842 0.441 5.875 1.00 0.00 H new ATOM 0 HA LEU A 30 4.316 0.009 4.575 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.952 -1.451 4.532 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.556 -1.952 3.599 1.00 0.00 H new ATOM 0 HG LEU A 30 6.257 0.889 3.275 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.178 0.455 1.812 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.510 -0.007 3.498 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.148 -1.260 2.288 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.918 0.283 0.906 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.801 -1.431 1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.571 -0.272 1.927 1.00 0.00 H new ATOM 494 N GLY A 31 4.979 -1.615 7.242 1.00 0.00 N ATOM 495 CA GLY A 31 4.389 -2.509 8.221 1.00 0.00 C ATOM 496 C GLY A 31 2.959 -2.122 8.537 1.00 0.00 C ATOM 497 O GLY A 31 2.195 -2.908 9.098 1.00 0.00 O ATOM 0 H GLY A 31 5.743 -1.040 7.596 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.415 -3.531 7.844 1.00 0.00 H new ATOM 0 HA3 GLY A 31 4.982 -2.491 9.135 1.00 0.00 H new ATOM 501 N ARG A 32 2.606 -0.897 8.180 1.00 0.00 N ATOM 502 CA ARG A 32 1.241 -0.407 8.323 1.00 0.00 C ATOM 503 C ARG A 32 0.360 -0.871 7.162 1.00 0.00 C ATOM 504 O ARG A 32 -0.697 -1.449 7.386 1.00 0.00 O ATOM 505 CB ARG A 32 1.233 1.117 8.404 1.00 0.00 C ATOM 506 CG ARG A 32 -0.133 1.736 8.130 1.00 0.00 C ATOM 507 CD ARG A 32 -0.823 2.202 9.395 1.00 0.00 C ATOM 508 NE ARG A 32 -0.051 3.212 10.119 1.00 0.00 N ATOM 509 CZ ARG A 32 -0.590 4.089 10.964 1.00 0.00 C ATOM 510 NH1 ARG A 32 -1.903 4.103 11.166 1.00 0.00 N ATOM 511 NH2 ARG A 32 0.183 4.959 11.602 1.00 0.00 N ATOM 0 H ARG A 32 3.254 -0.216 7.784 1.00 0.00 H new ATOM 0 HA ARG A 32 0.833 -0.819 9.246 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.568 1.421 9.395 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.953 1.514 7.688 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.016 2.581 7.452 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.764 1.006 7.624 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.801 2.611 9.141 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.995 1.346 10.047 1.00 0.00 H new ATOM 0 HE ARG A 32 0.957 3.246 9.968 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.502 3.441 10.673 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.312 4.776 11.814 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.191 4.956 11.445 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.231 5.630 12.249 1.00 0.00 H new ATOM 525 N VAL A 33 0.788 -0.608 5.926 1.00 0.00 N ATOM 526 CA VAL A 33 0.015 -1.010 4.746 1.00 0.00 C ATOM 527 C VAL A 33 -0.171 -2.515 4.692 1.00 0.00 C ATOM 528 O VAL A 33 -1.257 -2.982 4.368 1.00 0.00 O ATOM 529 CB VAL A 33 0.650 -0.524 3.427 1.00 0.00 C ATOM 530 CG1 VAL A 33 0.290 0.929 3.169 1.00 0.00 C ATOM 531 CG2 VAL A 33 2.154 -0.691 3.454 1.00 0.00 C ATOM 0 H VAL A 33 1.659 -0.122 5.715 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.958 -0.530 4.849 1.00 0.00 H new ATOM 0 HB VAL A 33 0.253 -1.136 2.617 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.746 1.256 2.235 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.793 1.029 3.099 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.659 1.546 3.988 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.576 -0.341 2.512 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.570 -0.109 4.277 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.401 -1.744 3.593 1.00 0.00 H new ATOM 541 N VAL A 34 0.867 -3.278 5.024 1.00 0.00 N ATOM 542 CA VAL A 34 0.726 -4.720 5.080 1.00 0.00 C ATOM 543 C VAL A 34 -0.298 -5.092 6.146 1.00 0.00 C ATOM 544 O VAL A 34 -1.129 -5.959 5.931 1.00 0.00 O ATOM 545 CB VAL A 34 2.069 -5.444 5.338 1.00 0.00 C ATOM 546 CG1 VAL A 34 3.107 -5.044 4.306 1.00 0.00 C ATOM 547 CG2 VAL A 34 2.582 -5.178 6.739 1.00 0.00 C ATOM 0 H VAL A 34 1.796 -2.925 5.253 1.00 0.00 H new ATOM 0 HA VAL A 34 0.379 -5.054 4.102 1.00 0.00 H new ATOM 0 HB VAL A 34 1.886 -6.515 5.246 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.042 -5.566 4.509 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.752 -5.310 3.310 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.274 -3.968 4.356 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.527 -5.702 6.886 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.736 -4.107 6.873 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.853 -5.534 7.467 1.00 0.00 H new ATOM 557 N HIS A 35 -0.268 -4.382 7.271 1.00 0.00 N ATOM 558 CA HIS A 35 -1.229 -4.602 8.344 1.00 0.00 C ATOM 559 C HIS A 35 -2.638 -4.246 7.874 1.00 0.00 C ATOM 560 O HIS A 35 -3.589 -4.984 8.131 1.00 0.00 O ATOM 561 CB HIS A 35 -0.838 -3.785 9.582 1.00 0.00 C ATOM 562 CG HIS A 35 -1.851 -3.812 10.686 1.00 0.00 C ATOM 563 ND1 HIS A 35 -1.872 -4.774 11.670 1.00 0.00 N ATOM 564 CD2 HIS A 35 -2.880 -2.976 10.959 1.00 0.00 C ATOM 565 CE1 HIS A 35 -2.868 -4.532 12.499 1.00 0.00 C ATOM 566 NE2 HIS A 35 -3.496 -3.446 12.091 1.00 0.00 N ATOM 0 H HIS A 35 0.414 -3.648 7.462 1.00 0.00 H new ATOM 0 HA HIS A 35 -1.220 -5.657 8.617 1.00 0.00 H new ATOM 0 HB2 HIS A 35 0.110 -4.161 9.966 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -0.673 -2.750 9.282 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.163 -2.102 10.391 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -3.126 -5.123 13.365 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -4.307 -3.025 12.543 1.00 0.00 H new ATOM 575 N ILE A 36 -2.771 -3.117 7.184 1.00 0.00 N ATOM 576 CA ILE A 36 -4.055 -2.727 6.621 1.00 0.00 C ATOM 577 C ILE A 36 -4.522 -3.774 5.622 1.00 0.00 C ATOM 578 O ILE A 36 -5.541 -4.421 5.832 1.00 0.00 O ATOM 579 CB ILE A 36 -4.017 -1.350 5.918 1.00 0.00 C ATOM 580 CG1 ILE A 36 -3.695 -0.236 6.906 1.00 0.00 C ATOM 581 CG2 ILE A 36 -5.367 -1.089 5.269 1.00 0.00 C ATOM 582 CD1 ILE A 36 -3.399 1.088 6.239 1.00 0.00 C ATOM 0 H ILE A 36 -2.010 -2.462 7.003 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.748 -2.651 7.459 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.233 -1.364 5.161 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.536 -0.111 7.589 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.836 -0.531 7.509 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.350 -0.120 4.771 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.576 -1.870 4.537 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.144 -1.090 6.033 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.178 1.837 6.999 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.540 0.978 5.577 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.266 1.405 5.659 1.00 0.00 H new ATOM 594 N ILE A 37 -3.761 -3.950 4.552 1.00 0.00 N ATOM 595 CA ILE A 37 -4.105 -4.908 3.515 1.00 0.00 C ATOM 596 C ILE A 37 -4.398 -6.304 4.085 1.00 0.00 C ATOM 597 O ILE A 37 -5.451 -6.855 3.829 1.00 0.00 O ATOM 598 CB ILE A 37 -3.006 -5.008 2.451 1.00 0.00 C ATOM 599 CG1 ILE A 37 -3.059 -3.795 1.535 1.00 0.00 C ATOM 600 CG2 ILE A 37 -3.172 -6.276 1.646 1.00 0.00 C ATOM 601 CD1 ILE A 37 -1.729 -3.121 1.346 1.00 0.00 C ATOM 0 H ILE A 37 -2.896 -3.438 4.380 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.016 -4.532 3.049 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.036 -5.035 2.947 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.442 -4.102 0.562 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.767 -3.074 1.943 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.385 -6.335 0.894 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -3.106 -7.139 2.309 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.145 -6.270 1.154 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.846 -2.265 0.681 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.353 -2.782 2.311 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.023 -3.826 0.909 1.00 0.00 H new ATOM 613 N GLN A 38 -3.479 -6.860 4.872 1.00 0.00 N ATOM 614 CA GLN A 38 -3.637 -8.222 5.400 1.00 0.00 C ATOM 615 C GLN A 38 -4.904 -8.365 6.248 1.00 0.00 C ATOM 616 O GLN A 38 -5.567 -9.404 6.217 1.00 0.00 O ATOM 617 CB GLN A 38 -2.421 -8.617 6.241 1.00 0.00 C ATOM 618 CG GLN A 38 -1.187 -8.956 5.423 1.00 0.00 C ATOM 619 CD GLN A 38 0.078 -9.004 6.257 1.00 0.00 C ATOM 620 OE1 GLN A 38 0.205 -8.311 7.263 1.00 0.00 O ATOM 621 NE2 GLN A 38 1.027 -9.821 5.840 1.00 0.00 N ATOM 0 H GLN A 38 -2.619 -6.394 5.160 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.723 -8.887 4.541 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.181 -7.799 6.920 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.683 -9.477 6.858 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.333 -9.921 4.937 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.067 -8.216 4.632 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.885 -10.381 4.999 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.903 -9.892 6.358 1.00 0.00 H new ATOM 630 N SER A 39 -5.226 -7.335 7.023 1.00 0.00 N ATOM 631 CA SER A 39 -6.414 -7.360 7.857 1.00 0.00 C ATOM 632 C SER A 39 -7.677 -7.208 7.009 1.00 0.00 C ATOM 633 O SER A 39 -8.665 -7.921 7.207 1.00 0.00 O ATOM 634 CB SER A 39 -6.342 -6.256 8.918 1.00 0.00 C ATOM 635 OG SER A 39 -6.370 -4.962 8.339 1.00 0.00 O ATOM 0 H SER A 39 -4.680 -6.476 7.089 1.00 0.00 H new ATOM 0 HA SER A 39 -6.459 -8.325 8.361 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.178 -6.362 9.609 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.429 -6.373 9.502 1.00 0.00 H new ATOM 0 HG SER A 39 -5.934 -4.987 7.462 1.00 0.00 H new ATOM 641 N ARG A 40 -7.623 -6.291 6.053 1.00 0.00 N ATOM 642 CA ARG A 40 -8.763 -6.002 5.195 1.00 0.00 C ATOM 643 C ARG A 40 -8.947 -7.104 4.157 1.00 0.00 C ATOM 644 O ARG A 40 -10.059 -7.370 3.712 1.00 0.00 O ATOM 645 CB ARG A 40 -8.573 -4.650 4.497 1.00 0.00 C ATOM 646 CG ARG A 40 -8.339 -3.493 5.457 1.00 0.00 C ATOM 647 CD ARG A 40 -9.133 -2.260 5.065 1.00 0.00 C ATOM 648 NE ARG A 40 -10.568 -2.529 4.980 1.00 0.00 N ATOM 649 CZ ARG A 40 -11.515 -1.640 5.276 1.00 0.00 C ATOM 650 NH1 ARG A 40 -11.184 -0.426 5.700 1.00 0.00 N ATOM 651 NH2 ARG A 40 -12.793 -1.970 5.157 1.00 0.00 N ATOM 0 H ARG A 40 -6.795 -5.731 5.851 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.657 -5.957 5.817 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.727 -4.720 3.813 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.454 -4.436 3.893 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.617 -3.797 6.466 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.277 -3.249 5.478 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.956 -1.469 5.794 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.777 -1.892 4.103 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.863 -3.457 4.675 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.201 -0.171 5.800 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.912 0.252 5.926 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.051 -2.904 4.839 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.519 -1.290 5.383 1.00 0.00 H new ATOM 665 N GLU A 41 -7.847 -7.742 3.788 1.00 0.00 N ATOM 666 CA GLU A 41 -7.855 -8.813 2.803 1.00 0.00 C ATOM 667 C GLU A 41 -7.427 -10.129 3.454 1.00 0.00 C ATOM 668 O GLU A 41 -6.247 -10.487 3.421 1.00 0.00 O ATOM 669 CB GLU A 41 -6.899 -8.484 1.657 1.00 0.00 C ATOM 670 CG GLU A 41 -7.055 -7.074 1.112 1.00 0.00 C ATOM 671 CD GLU A 41 -8.365 -6.864 0.381 1.00 0.00 C ATOM 672 OE1 GLU A 41 -8.728 -7.711 -0.458 1.00 0.00 O ATOM 673 OE2 GLU A 41 -9.038 -5.844 0.631 1.00 0.00 O ATOM 0 H GLU A 41 -6.922 -7.532 4.163 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.867 -8.914 2.411 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.874 -8.619 2.002 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.059 -9.196 0.847 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.986 -6.363 1.935 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.229 -6.859 0.435 1.00 0.00 H new ATOM 680 N PRO A 42 -8.374 -10.872 4.054 1.00 0.00 N ATOM 681 CA PRO A 42 -8.082 -12.143 4.739 1.00 0.00 C ATOM 682 C PRO A 42 -7.522 -13.232 3.815 1.00 0.00 C ATOM 683 O PRO A 42 -7.266 -14.353 4.254 1.00 0.00 O ATOM 684 CB PRO A 42 -9.442 -12.586 5.293 1.00 0.00 C ATOM 685 CG PRO A 42 -10.293 -11.364 5.286 1.00 0.00 C ATOM 686 CD PRO A 42 -9.801 -10.518 4.147 1.00 0.00 C ATOM 0 HA PRO A 42 -7.311 -11.997 5.495 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.879 -13.372 4.677 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.343 -12.989 6.301 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.344 -11.622 5.154 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.213 -10.828 6.232 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.332 -10.741 3.222 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.940 -9.455 4.346 1.00 0.00 H new ATOM 694 N SER A 43 -7.321 -12.903 2.548 1.00 0.00 N ATOM 695 CA SER A 43 -6.857 -13.879 1.573 1.00 0.00 C ATOM 696 C SER A 43 -5.332 -13.882 1.464 1.00 0.00 C ATOM 697 O SER A 43 -4.754 -14.765 0.830 1.00 0.00 O ATOM 698 CB SER A 43 -7.474 -13.583 0.198 1.00 0.00 C ATOM 699 OG SER A 43 -8.886 -13.483 0.287 1.00 0.00 O ATOM 0 H SER A 43 -7.472 -11.968 2.171 1.00 0.00 H new ATOM 0 HA SER A 43 -7.174 -14.865 1.913 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.064 -12.653 -0.196 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.205 -14.373 -0.503 1.00 0.00 H new ATOM 0 HG SER A 43 -9.257 -13.293 -0.600 1.00 0.00 H new ATOM 705 N LEU A 44 -4.673 -12.905 2.084 1.00 0.00 N ATOM 706 CA LEU A 44 -3.228 -12.781 1.936 1.00 0.00 C ATOM 707 C LEU A 44 -2.503 -12.691 3.279 1.00 0.00 C ATOM 708 O LEU A 44 -1.390 -12.172 3.363 1.00 0.00 O ATOM 709 CB LEU A 44 -2.890 -11.585 1.038 1.00 0.00 C ATOM 710 CG LEU A 44 -3.454 -10.236 1.464 1.00 0.00 C ATOM 711 CD1 LEU A 44 -2.493 -9.537 2.401 1.00 0.00 C ATOM 712 CD2 LEU A 44 -3.740 -9.380 0.242 1.00 0.00 C ATOM 0 H LEU A 44 -5.107 -12.202 2.682 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.869 -13.693 1.459 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.805 -11.498 0.979 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.248 -11.802 0.031 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.391 -10.396 1.997 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.909 -8.574 2.697 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.336 -10.152 3.287 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.541 -9.380 1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.143 -8.418 0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.817 -9.221 -0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.466 -9.886 -0.395 1.00 0.00 H new ATOM 724 N LYS A 45 -3.104 -13.243 4.321 1.00 0.00 N ATOM 725 CA LYS A 45 -2.476 -13.225 5.641 1.00 0.00 C ATOM 726 C LYS A 45 -1.423 -14.328 5.760 1.00 0.00 C ATOM 727 O LYS A 45 -0.850 -14.542 6.829 1.00 0.00 O ATOM 728 CB LYS A 45 -3.526 -13.347 6.754 1.00 0.00 C ATOM 729 CG LYS A 45 -4.412 -14.575 6.640 1.00 0.00 C ATOM 730 CD LYS A 45 -5.816 -14.314 7.172 1.00 0.00 C ATOM 731 CE LYS A 45 -5.845 -14.226 8.689 1.00 0.00 C ATOM 732 NZ LYS A 45 -7.165 -13.769 9.195 1.00 0.00 N ATOM 0 H LYS A 45 -4.013 -13.704 4.285 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.974 -12.265 5.759 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.017 -13.368 7.718 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.155 -12.457 6.745 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.471 -14.885 5.597 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.962 -15.400 7.192 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.197 -13.385 6.748 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.482 -15.111 6.843 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.613 -15.203 9.113 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.069 -13.539 9.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.142 -13.723 10.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.376 -12.826 8.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.902 -14.438 8.895 1.00 0.00 H new ATOM 746 N ASN A 46 -1.170 -15.020 4.652 1.00 0.00 N ATOM 747 CA ASN A 46 -0.140 -16.054 4.610 1.00 0.00 C ATOM 748 C ASN A 46 1.230 -15.405 4.427 1.00 0.00 C ATOM 749 O ASN A 46 2.244 -15.916 4.898 1.00 0.00 O ATOM 750 CB ASN A 46 -0.405 -17.054 3.470 1.00 0.00 C ATOM 751 CG ASN A 46 -1.826 -17.576 3.452 1.00 0.00 C ATOM 752 OD1 ASN A 46 -2.157 -18.553 4.125 1.00 0.00 O ATOM 753 ND2 ASN A 46 -2.672 -16.944 2.652 1.00 0.00 N ATOM 0 H ASN A 46 -1.665 -14.883 3.771 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.162 -16.602 5.552 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.190 -16.573 2.516 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.283 -17.894 3.566 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -3.638 -17.263 2.577 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.357 -16.138 2.111 1.00 0.00 H new ATOM 760 N SER A 47 1.240 -14.267 3.741 1.00 0.00 N ATOM 761 CA SER A 47 2.455 -13.488 3.532 1.00 0.00 C ATOM 762 C SER A 47 2.924 -12.864 4.842 1.00 0.00 C ATOM 763 O SER A 47 2.128 -12.313 5.601 1.00 0.00 O ATOM 764 CB SER A 47 2.191 -12.410 2.477 1.00 0.00 C ATOM 765 OG SER A 47 1.782 -13.001 1.255 1.00 0.00 O ATOM 0 H SER A 47 0.408 -13.859 3.315 1.00 0.00 H new ATOM 0 HA SER A 47 3.248 -14.146 3.176 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.421 -11.726 2.833 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.093 -11.819 2.318 1.00 0.00 H new ATOM 0 HG SER A 47 1.616 -12.299 0.592 1.00 0.00 H new ATOM 771 N ASN A 48 4.210 -12.988 5.113 1.00 0.00 N ATOM 772 CA ASN A 48 4.808 -12.406 6.312 1.00 0.00 C ATOM 773 C ASN A 48 5.203 -10.961 6.019 1.00 0.00 C ATOM 774 O ASN A 48 5.736 -10.696 4.952 1.00 0.00 O ATOM 775 CB ASN A 48 6.045 -13.212 6.732 1.00 0.00 C ATOM 776 CG ASN A 48 6.012 -13.642 8.188 1.00 0.00 C ATOM 777 OD1 ASN A 48 5.394 -12.995 9.027 1.00 0.00 O ATOM 778 ND2 ASN A 48 6.689 -14.736 8.502 1.00 0.00 N ATOM 0 H ASN A 48 4.869 -13.489 4.517 1.00 0.00 H new ATOM 0 HA ASN A 48 4.085 -12.432 7.127 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.126 -14.097 6.100 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.938 -12.612 6.557 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.707 -15.065 9.467 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.192 -15.250 7.778 1.00 0.00 H new ATOM 785 N PRO A 49 4.944 -10.006 6.935 1.00 0.00 N ATOM 786 CA PRO A 49 5.120 -8.561 6.654 1.00 0.00 C ATOM 787 C PRO A 49 6.470 -8.195 6.026 1.00 0.00 C ATOM 788 O PRO A 49 6.521 -7.421 5.072 1.00 0.00 O ATOM 789 CB PRO A 49 4.971 -7.917 8.036 1.00 0.00 C ATOM 790 CG PRO A 49 4.117 -8.866 8.811 1.00 0.00 C ATOM 791 CD PRO A 49 4.482 -10.242 8.324 1.00 0.00 C ATOM 0 HA PRO A 49 4.398 -8.218 5.913 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.941 -7.778 8.514 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.506 -6.934 7.966 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.299 -8.770 9.881 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.059 -8.662 8.648 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.264 -10.690 8.937 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.627 -10.918 8.353 1.00 0.00 H new ATOM 799 N ASP A 50 7.549 -8.787 6.520 1.00 0.00 N ATOM 800 CA ASP A 50 8.899 -8.413 6.087 1.00 0.00 C ATOM 801 C ASP A 50 9.265 -9.104 4.783 1.00 0.00 C ATOM 802 O ASP A 50 10.284 -8.797 4.166 1.00 0.00 O ATOM 803 CB ASP A 50 9.922 -8.752 7.171 1.00 0.00 C ATOM 804 CG ASP A 50 9.676 -7.992 8.459 1.00 0.00 C ATOM 805 OD1 ASP A 50 8.898 -8.485 9.305 1.00 0.00 O ATOM 806 OD2 ASP A 50 10.253 -6.903 8.635 1.00 0.00 O ATOM 0 H ASP A 50 7.521 -9.528 7.220 1.00 0.00 H new ATOM 0 HA ASP A 50 8.911 -7.336 5.917 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.891 -9.823 7.373 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.923 -8.525 6.805 1.00 0.00 H new ATOM 811 N GLU A 51 8.421 -10.034 4.377 1.00 0.00 N ATOM 812 CA GLU A 51 8.586 -10.755 3.125 1.00 0.00 C ATOM 813 C GLU A 51 7.280 -10.691 2.343 1.00 0.00 C ATOM 814 O GLU A 51 6.923 -11.605 1.602 1.00 0.00 O ATOM 815 CB GLU A 51 8.998 -12.202 3.381 1.00 0.00 C ATOM 816 CG GLU A 51 10.402 -12.346 3.944 1.00 0.00 C ATOM 817 CD GLU A 51 11.481 -11.892 2.982 1.00 0.00 C ATOM 818 OE1 GLU A 51 11.459 -12.323 1.812 1.00 0.00 O ATOM 819 OE2 GLU A 51 12.384 -11.139 3.407 1.00 0.00 O ATOM 0 H GLU A 51 7.596 -10.313 4.908 1.00 0.00 H new ATOM 0 HA GLU A 51 9.380 -10.290 2.541 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.290 -12.655 4.075 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.931 -12.760 2.447 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.478 -11.767 4.865 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.575 -13.389 4.208 1.00 0.00 H new ATOM 826 N ILE A 52 6.556 -9.605 2.564 1.00 0.00 N ATOM 827 CA ILE A 52 5.231 -9.398 2.000 1.00 0.00 C ATOM 828 C ILE A 52 5.280 -9.244 0.475 1.00 0.00 C ATOM 829 O ILE A 52 6.290 -8.819 -0.083 1.00 0.00 O ATOM 830 CB ILE A 52 4.606 -8.118 2.606 1.00 0.00 C ATOM 831 CG1 ILE A 52 3.129 -7.993 2.263 1.00 0.00 C ATOM 832 CG2 ILE A 52 5.325 -6.916 2.066 1.00 0.00 C ATOM 833 CD1 ILE A 52 2.268 -9.127 2.754 1.00 0.00 C ATOM 0 H ILE A 52 6.876 -8.832 3.148 1.00 0.00 H new ATOM 0 HA ILE A 52 4.629 -10.274 2.240 1.00 0.00 H new ATOM 0 HB ILE A 52 4.704 -8.180 3.690 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.751 -7.061 2.682 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.027 -7.920 1.180 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.889 -6.011 2.489 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.380 -6.971 2.336 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.229 -6.892 0.981 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.233 -8.950 2.463 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.614 -10.063 2.315 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.334 -9.190 3.840 1.00 0.00 H new ATOM 845 N GLU A 53 4.200 -9.646 -0.185 1.00 0.00 N ATOM 846 CA GLU A 53 3.960 -9.288 -1.571 1.00 0.00 C ATOM 847 C GLU A 53 2.475 -8.976 -1.740 1.00 0.00 C ATOM 848 O GLU A 53 1.650 -9.881 -1.838 1.00 0.00 O ATOM 849 CB GLU A 53 4.384 -10.412 -2.520 1.00 0.00 C ATOM 850 CG GLU A 53 5.078 -9.894 -3.766 1.00 0.00 C ATOM 851 CD GLU A 53 6.373 -9.199 -3.443 1.00 0.00 C ATOM 852 OE1 GLU A 53 7.393 -9.904 -3.334 1.00 0.00 O ATOM 853 OE2 GLU A 53 6.379 -7.964 -3.296 1.00 0.00 O ATOM 0 H GLU A 53 3.470 -10.227 0.227 1.00 0.00 H new ATOM 0 HA GLU A 53 4.558 -8.412 -1.824 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.052 -11.094 -1.994 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.505 -10.988 -2.811 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.272 -10.725 -4.445 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.416 -9.203 -4.289 1.00 0.00 H new ATOM 860 N ILE A 54 2.138 -7.694 -1.738 1.00 0.00 N ATOM 861 CA ILE A 54 0.744 -7.263 -1.772 1.00 0.00 C ATOM 862 C ILE A 54 0.242 -7.174 -3.204 1.00 0.00 C ATOM 863 O ILE A 54 0.899 -6.594 -4.067 1.00 0.00 O ATOM 864 CB ILE A 54 0.555 -5.889 -1.089 1.00 0.00 C ATOM 865 CG1 ILE A 54 0.982 -5.955 0.377 1.00 0.00 C ATOM 866 CG2 ILE A 54 -0.899 -5.439 -1.196 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.256 -4.600 0.987 1.00 0.00 C ATOM 0 H ILE A 54 2.813 -6.930 -1.713 1.00 0.00 H new ATOM 0 HA ILE A 54 0.168 -8.010 -1.226 1.00 0.00 H new ATOM 0 HB ILE A 54 1.185 -5.161 -1.600 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.201 -6.452 0.952 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.879 -6.569 0.459 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.017 -4.470 -0.711 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.177 -5.355 -2.246 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.543 -6.170 -0.707 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.554 -4.723 2.028 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.058 -4.108 0.436 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.354 -3.990 0.937 1.00 0.00 H new ATOM 879 N ASP A 55 -0.915 -7.758 -3.459 1.00 0.00 N ATOM 880 CA ASP A 55 -1.519 -7.691 -4.771 1.00 0.00 C ATOM 881 C ASP A 55 -2.521 -6.546 -4.813 1.00 0.00 C ATOM 882 O ASP A 55 -3.650 -6.667 -4.325 1.00 0.00 O ATOM 883 CB ASP A 55 -2.230 -9.001 -5.113 1.00 0.00 C ATOM 884 CG ASP A 55 -1.606 -10.214 -4.459 1.00 0.00 C ATOM 885 OD1 ASP A 55 -0.682 -10.807 -5.051 1.00 0.00 O ATOM 886 OD2 ASP A 55 -2.052 -10.590 -3.356 1.00 0.00 O ATOM 0 H ASP A 55 -1.454 -8.284 -2.771 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.730 -7.523 -5.504 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.274 -8.929 -4.807 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.224 -9.137 -6.194 1.00 0.00 H new ATOM 891 N PHE A 56 -2.119 -5.435 -5.411 1.00 0.00 N ATOM 892 CA PHE A 56 -2.962 -4.248 -5.455 1.00 0.00 C ATOM 893 C PHE A 56 -4.210 -4.503 -6.291 1.00 0.00 C ATOM 894 O PHE A 56 -5.197 -3.768 -6.212 1.00 0.00 O ATOM 895 CB PHE A 56 -2.190 -3.058 -6.018 1.00 0.00 C ATOM 896 CG PHE A 56 -2.461 -1.813 -5.241 1.00 0.00 C ATOM 897 CD1 PHE A 56 -1.968 -1.687 -3.967 1.00 0.00 C ATOM 898 CD2 PHE A 56 -3.231 -0.792 -5.757 1.00 0.00 C ATOM 899 CE1 PHE A 56 -2.233 -0.571 -3.222 1.00 0.00 C ATOM 900 CE2 PHE A 56 -3.495 0.338 -5.003 1.00 0.00 C ATOM 901 CZ PHE A 56 -2.991 0.432 -3.736 1.00 0.00 C ATOM 0 H PHE A 56 -1.215 -5.330 -5.872 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.267 -4.015 -4.435 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.122 -3.274 -6.000 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.466 -2.904 -7.061 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.364 -2.478 -3.548 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.631 -0.875 -6.757 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.838 -0.487 -2.220 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.094 1.138 -5.412 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.197 1.309 -3.140 1.00 0.00 H new ATOM 911 N GLU A 57 -4.161 -5.562 -7.074 1.00 0.00 N ATOM 912 CA GLU A 57 -5.247 -5.918 -7.965 1.00 0.00 C ATOM 913 C GLU A 57 -6.319 -6.740 -7.261 1.00 0.00 C ATOM 914 O GLU A 57 -7.412 -6.927 -7.792 1.00 0.00 O ATOM 915 CB GLU A 57 -4.692 -6.684 -9.165 1.00 0.00 C ATOM 916 CG GLU A 57 -3.864 -5.818 -10.097 1.00 0.00 C ATOM 917 CD GLU A 57 -4.711 -4.844 -10.892 1.00 0.00 C ATOM 918 OE1 GLU A 57 -5.355 -3.960 -10.284 1.00 0.00 O ATOM 919 OE2 GLU A 57 -4.734 -4.952 -12.136 1.00 0.00 O ATOM 0 H GLU A 57 -3.366 -6.201 -7.110 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.721 -4.996 -8.303 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.079 -7.511 -8.808 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.520 -7.120 -9.724 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.129 -5.263 -9.514 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.310 -6.457 -10.784 1.00 0.00 H new ATOM 926 N THR A 58 -6.022 -7.217 -6.065 1.00 0.00 N ATOM 927 CA THR A 58 -6.965 -8.055 -5.347 1.00 0.00 C ATOM 928 C THR A 58 -7.616 -7.294 -4.202 1.00 0.00 C ATOM 929 O THR A 58 -8.709 -7.649 -3.758 1.00 0.00 O ATOM 930 CB THR A 58 -6.282 -9.320 -4.802 1.00 0.00 C ATOM 931 OG1 THR A 58 -5.260 -8.970 -3.862 1.00 0.00 O ATOM 932 CG2 THR A 58 -5.679 -10.123 -5.943 1.00 0.00 C ATOM 0 H THR A 58 -5.145 -7.041 -5.575 1.00 0.00 H new ATOM 0 HA THR A 58 -7.737 -8.350 -6.057 1.00 0.00 H new ATOM 0 HB THR A 58 -7.033 -9.927 -4.296 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.908 -8.081 -4.077 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.198 -11.016 -5.545 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.466 -10.414 -6.639 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.940 -9.515 -6.465 1.00 0.00 H new ATOM 940 N LEU A 59 -6.952 -6.236 -3.748 1.00 0.00 N ATOM 941 CA LEU A 59 -7.436 -5.451 -2.616 1.00 0.00 C ATOM 942 C LEU A 59 -8.795 -4.846 -2.925 1.00 0.00 C ATOM 943 O LEU A 59 -9.052 -4.414 -4.051 1.00 0.00 O ATOM 944 CB LEU A 59 -6.451 -4.331 -2.284 1.00 0.00 C ATOM 945 CG LEU A 59 -4.983 -4.749 -2.244 1.00 0.00 C ATOM 946 CD1 LEU A 59 -4.090 -3.556 -1.964 1.00 0.00 C ATOM 947 CD2 LEU A 59 -4.771 -5.815 -1.193 1.00 0.00 C ATOM 0 H LEU A 59 -6.075 -5.901 -4.147 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.528 -6.119 -1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.566 -3.537 -3.021 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.719 -3.908 -1.316 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.717 -5.155 -3.220 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.049 -3.878 -1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.221 -2.811 -2.749 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.357 -3.120 -1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.720 -6.104 -1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.057 -5.425 -0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.383 -6.686 -1.429 1.00 0.00 H new ATOM 959 N LYS A 60 -9.672 -4.836 -1.937 1.00 0.00 N ATOM 960 CA LYS A 60 -10.967 -4.206 -2.088 1.00 0.00 C ATOM 961 C LYS A 60 -10.810 -2.682 -1.980 1.00 0.00 C ATOM 962 O LYS A 60 -9.927 -2.209 -1.256 1.00 0.00 O ATOM 963 CB LYS A 60 -11.932 -4.762 -1.035 1.00 0.00 C ATOM 964 CG LYS A 60 -11.703 -4.244 0.369 1.00 0.00 C ATOM 965 CD LYS A 60 -12.718 -4.827 1.342 1.00 0.00 C ATOM 966 CE LYS A 60 -12.727 -6.358 1.299 1.00 0.00 C ATOM 967 NZ LYS A 60 -11.369 -6.926 1.475 1.00 0.00 N ATOM 0 H LYS A 60 -9.509 -5.257 -1.023 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.385 -4.428 -3.070 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.952 -4.522 -1.334 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.850 -5.849 -1.025 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.695 -4.500 0.694 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.773 -3.156 0.374 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.487 -4.492 2.353 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.712 -4.450 1.101 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.384 -6.739 2.081 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.139 -6.692 0.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.383 -7.939 1.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.703 -6.434 0.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.067 -6.805 2.463 1.00 0.00 H new ATOM 981 N PRO A 61 -11.611 -1.899 -2.751 1.00 0.00 N ATOM 982 CA PRO A 61 -11.552 -0.431 -2.775 1.00 0.00 C ATOM 983 C PRO A 61 -11.204 0.217 -1.434 1.00 0.00 C ATOM 984 O PRO A 61 -10.311 1.067 -1.372 1.00 0.00 O ATOM 985 CB PRO A 61 -12.970 -0.047 -3.178 1.00 0.00 C ATOM 986 CG PRO A 61 -13.452 -1.164 -4.038 1.00 0.00 C ATOM 987 CD PRO A 61 -12.621 -2.387 -3.714 1.00 0.00 C ATOM 0 HA PRO A 61 -10.762 -0.087 -3.443 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.607 0.078 -2.303 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -12.982 0.899 -3.719 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.508 -1.360 -3.854 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -13.355 -0.904 -5.092 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.232 -3.180 -3.282 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.152 -2.797 -4.608 1.00 0.00 H new ATOM 995 N SER A 62 -11.905 -0.185 -0.376 1.00 0.00 N ATOM 996 CA SER A 62 -11.704 0.397 0.949 1.00 0.00 C ATOM 997 C SER A 62 -10.241 0.326 1.374 1.00 0.00 C ATOM 998 O SER A 62 -9.672 1.321 1.818 1.00 0.00 O ATOM 999 CB SER A 62 -12.582 -0.306 1.988 1.00 0.00 C ATOM 1000 OG SER A 62 -12.363 -1.705 1.979 1.00 0.00 O ATOM 0 H SER A 62 -12.619 -0.913 -0.411 1.00 0.00 H new ATOM 0 HA SER A 62 -11.992 1.447 0.891 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.367 0.092 2.980 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.632 -0.098 1.782 1.00 0.00 H new ATOM 0 HG SER A 62 -13.041 -2.146 2.533 1.00 0.00 H new ATOM 1006 N THR A 63 -9.630 -0.844 1.207 1.00 0.00 N ATOM 1007 CA THR A 63 -8.239 -1.043 1.593 1.00 0.00 C ATOM 1008 C THR A 63 -7.351 -0.088 0.827 1.00 0.00 C ATOM 1009 O THR A 63 -6.594 0.667 1.422 1.00 0.00 O ATOM 1010 CB THR A 63 -7.773 -2.492 1.338 1.00 0.00 C ATOM 1011 OG1 THR A 63 -8.827 -3.402 1.676 1.00 0.00 O ATOM 1012 CG2 THR A 63 -6.538 -2.827 2.159 1.00 0.00 C ATOM 0 H THR A 63 -10.078 -1.668 0.807 1.00 0.00 H new ATOM 0 HA THR A 63 -8.164 -0.848 2.663 1.00 0.00 H new ATOM 0 HB THR A 63 -7.520 -2.586 0.282 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.651 -4.274 1.264 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.235 -3.854 1.957 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.727 -2.150 1.890 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.765 -2.718 3.219 1.00 0.00 H new ATOM 1020 N LEU A 64 -7.503 -0.085 -0.490 1.00 0.00 N ATOM 1021 CA LEU A 64 -6.675 0.739 -1.369 1.00 0.00 C ATOM 1022 C LEU A 64 -6.776 2.212 -0.995 1.00 0.00 C ATOM 1023 O LEU A 64 -5.794 2.946 -1.046 1.00 0.00 O ATOM 1024 CB LEU A 64 -7.109 0.533 -2.822 1.00 0.00 C ATOM 1025 CG LEU A 64 -7.188 -0.920 -3.247 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -8.387 -1.117 -4.129 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -5.938 -1.322 -3.989 1.00 0.00 C ATOM 0 H LEU A 64 -8.198 -0.649 -0.980 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.635 0.434 -1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.085 0.996 -2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.409 1.054 -3.476 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.280 -1.544 -2.358 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.445 -2.161 -4.436 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.290 -0.849 -3.581 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.297 -0.484 -5.012 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.012 -2.368 -4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.826 -0.699 -4.877 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.072 -1.190 -3.341 1.00 0.00 H new ATOM 1039 N ARG A 65 -7.961 2.635 -0.604 1.00 0.00 N ATOM 1040 CA ARG A 65 -8.174 4.027 -0.238 1.00 0.00 C ATOM 1041 C ARG A 65 -7.648 4.318 1.165 1.00 0.00 C ATOM 1042 O ARG A 65 -7.299 5.457 1.478 1.00 0.00 O ATOM 1043 CB ARG A 65 -9.650 4.388 -0.347 1.00 0.00 C ATOM 1044 CG ARG A 65 -10.189 4.293 -1.770 1.00 0.00 C ATOM 1045 CD ARG A 65 -9.313 5.061 -2.750 1.00 0.00 C ATOM 1046 NE ARG A 65 -9.981 5.287 -4.032 1.00 0.00 N ATOM 1047 CZ ARG A 65 -9.621 6.228 -4.907 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -8.694 7.126 -4.592 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -10.208 6.291 -6.094 1.00 0.00 N ATOM 0 H ARG A 65 -8.788 2.042 -0.531 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.613 4.648 -0.937 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.228 3.726 0.298 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.797 5.403 0.023 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -10.243 3.247 -2.071 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.205 4.687 -1.803 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.037 6.020 -2.312 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.388 4.509 -2.917 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.771 4.688 -4.272 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.250 7.100 -3.674 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.426 7.841 -5.268 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.936 5.620 -6.339 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.932 7.011 -6.762 1.00 0.00 H new ATOM 1063 N GLU A 66 -7.567 3.287 1.999 1.00 0.00 N ATOM 1064 CA GLU A 66 -6.993 3.433 3.328 1.00 0.00 C ATOM 1065 C GLU A 66 -5.485 3.548 3.207 1.00 0.00 C ATOM 1066 O GLU A 66 -4.857 4.394 3.842 1.00 0.00 O ATOM 1067 CB GLU A 66 -7.351 2.219 4.185 1.00 0.00 C ATOM 1068 CG GLU A 66 -8.799 2.176 4.642 1.00 0.00 C ATOM 1069 CD GLU A 66 -9.144 3.307 5.577 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -8.710 3.265 6.747 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -9.853 4.240 5.156 1.00 0.00 O ATOM 0 H GLU A 66 -7.891 2.345 1.778 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.393 4.330 3.802 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.135 1.313 3.618 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.705 2.207 5.063 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.453 2.217 3.771 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.991 1.226 5.140 1.00 0.00 H new ATOM 1078 N LEU A 67 -4.924 2.685 2.366 1.00 0.00 N ATOM 1079 CA LEU A 67 -3.497 2.679 2.076 1.00 0.00 C ATOM 1080 C LEU A 67 -3.044 4.075 1.614 1.00 0.00 C ATOM 1081 O LEU A 67 -1.990 4.578 2.008 1.00 0.00 O ATOM 1082 CB LEU A 67 -3.224 1.665 0.964 1.00 0.00 C ATOM 1083 CG LEU A 67 -3.876 0.314 1.179 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -3.526 -0.643 0.060 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -3.486 -0.247 2.532 1.00 0.00 C ATOM 0 H LEU A 67 -5.449 1.968 1.865 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.946 2.409 2.977 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.574 2.078 0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.147 1.525 0.872 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.958 0.445 1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.007 -1.604 0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.873 -0.235 -0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.445 -0.779 0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.961 -1.218 2.674 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.403 -0.362 2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.813 0.435 3.317 1.00 0.00 H new ATOM 1097 N GLU A 68 -3.886 4.679 0.777 1.00 0.00 N ATOM 1098 CA GLU A 68 -3.630 5.969 0.140 1.00 0.00 C ATOM 1099 C GLU A 68 -3.534 7.119 1.145 1.00 0.00 C ATOM 1100 O GLU A 68 -2.469 7.721 1.314 1.00 0.00 O ATOM 1101 CB GLU A 68 -4.766 6.235 -0.837 1.00 0.00 C ATOM 1102 CG GLU A 68 -4.564 7.423 -1.733 1.00 0.00 C ATOM 1103 CD GLU A 68 -5.790 8.312 -1.809 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -6.610 8.122 -2.734 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -5.952 9.191 -0.935 1.00 0.00 O ATOM 0 H GLU A 68 -4.786 4.275 0.517 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.666 5.920 -0.366 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.907 5.350 -1.458 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.687 6.377 -0.271 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.718 8.007 -1.370 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.307 7.078 -2.735 1.00 0.00 H new ATOM 1112 N ARG A 69 -4.664 7.423 1.794 1.00 0.00 N ATOM 1113 CA ARG A 69 -4.737 8.455 2.845 1.00 0.00 C ATOM 1114 C ARG A 69 -3.639 8.255 3.867 1.00 0.00 C ATOM 1115 O ARG A 69 -3.148 9.207 4.481 1.00 0.00 O ATOM 1116 CB ARG A 69 -6.094 8.379 3.534 1.00 0.00 C ATOM 1117 CG ARG A 69 -6.271 9.421 4.617 1.00 0.00 C ATOM 1118 CD ARG A 69 -7.234 8.946 5.686 1.00 0.00 C ATOM 1119 NE ARG A 69 -6.811 7.680 6.276 1.00 0.00 N ATOM 1120 CZ ARG A 69 -7.536 6.566 6.245 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -8.718 6.556 5.640 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -7.075 5.459 6.808 1.00 0.00 N ATOM 0 H ARG A 69 -5.555 6.963 1.608 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.609 9.434 2.384 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.880 8.501 2.789 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.219 7.387 3.969 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.305 9.647 5.069 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.641 10.347 4.177 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.311 9.703 6.467 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.228 8.831 5.254 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.904 7.648 6.741 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.072 7.404 5.198 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.272 5.700 5.618 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.163 5.461 7.266 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.632 4.605 6.784 1.00 0.00 H new ATOM 1136 N TYR A 70 -3.233 7.017 4.021 1.00 0.00 N ATOM 1137 CA TYR A 70 -2.215 6.691 4.984 1.00 0.00 C ATOM 1138 C TYR A 70 -0.845 7.195 4.533 1.00 0.00 C ATOM 1139 O TYR A 70 -0.214 7.986 5.227 1.00 0.00 O ATOM 1140 CB TYR A 70 -2.154 5.187 5.225 1.00 0.00 C ATOM 1141 CG TYR A 70 -0.830 4.770 5.754 1.00 0.00 C ATOM 1142 CD1 TYR A 70 -0.037 3.930 5.016 1.00 0.00 C ATOM 1143 CD2 TYR A 70 -0.346 5.270 6.954 1.00 0.00 C ATOM 1144 CE1 TYR A 70 1.206 3.588 5.447 1.00 0.00 C ATOM 1145 CE2 TYR A 70 0.902 4.926 7.406 1.00 0.00 C ATOM 1146 CZ TYR A 70 1.680 4.086 6.649 1.00 0.00 C ATOM 1147 OH TYR A 70 2.931 3.755 7.087 1.00 0.00 O ATOM 0 H TYR A 70 -3.593 6.222 3.492 1.00 0.00 H new ATOM 0 HA TYR A 70 -2.480 7.189 5.917 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -2.935 4.899 5.929 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -2.356 4.660 4.292 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.404 3.535 4.080 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -0.960 5.939 7.540 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.823 2.929 4.853 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.268 5.311 8.346 1.00 0.00 H new ATOM 0 HH TYR A 70 3.295 3.039 6.526 1.00 0.00 H new ATOM 1157 N VAL A 71 -0.377 6.734 3.384 1.00 0.00 N ATOM 1158 CA VAL A 71 0.977 7.056 2.950 1.00 0.00 C ATOM 1159 C VAL A 71 1.128 8.522 2.663 1.00 0.00 C ATOM 1160 O VAL A 71 2.170 9.098 2.938 1.00 0.00 O ATOM 1161 CB VAL A 71 1.408 6.259 1.721 1.00 0.00 C ATOM 1162 CG1 VAL A 71 1.353 4.794 2.031 1.00 0.00 C ATOM 1163 CG2 VAL A 71 0.532 6.550 0.522 1.00 0.00 C ATOM 0 H VAL A 71 -0.905 6.143 2.741 1.00 0.00 H new ATOM 0 HA VAL A 71 1.626 6.778 3.780 1.00 0.00 H new ATOM 0 HB VAL A 71 2.426 6.558 1.472 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.661 4.225 1.154 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.024 4.572 2.861 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.334 4.518 2.304 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.874 5.962 -0.330 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.500 6.287 0.753 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.590 7.611 0.278 1.00 0.00 H new ATOM 1173 N THR A 72 0.087 9.139 2.142 1.00 0.00 N ATOM 1174 CA THR A 72 0.143 10.552 1.875 1.00 0.00 C ATOM 1175 C THR A 72 0.286 11.308 3.202 1.00 0.00 C ATOM 1176 O THR A 72 0.814 12.408 3.243 1.00 0.00 O ATOM 1177 CB THR A 72 -1.093 11.032 1.078 1.00 0.00 C ATOM 1178 OG1 THR A 72 -0.861 12.337 0.541 1.00 0.00 O ATOM 1179 CG2 THR A 72 -2.334 11.063 1.949 1.00 0.00 C ATOM 0 H THR A 72 -0.795 8.687 1.900 1.00 0.00 H new ATOM 0 HA THR A 72 1.012 10.761 1.250 1.00 0.00 H new ATOM 0 HB THR A 72 -1.255 10.324 0.266 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.650 12.629 0.038 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.184 11.405 1.359 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.536 10.062 2.331 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.175 11.745 2.785 1.00 0.00 H new ATOM 1187 N SER A 73 -0.131 10.679 4.303 1.00 0.00 N ATOM 1188 CA SER A 73 0.024 11.287 5.613 1.00 0.00 C ATOM 1189 C SER A 73 1.491 11.213 6.052 1.00 0.00 C ATOM 1190 O SER A 73 1.973 12.055 6.813 1.00 0.00 O ATOM 1191 CB SER A 73 -0.882 10.596 6.639 1.00 0.00 C ATOM 1192 OG SER A 73 -0.211 9.542 7.309 1.00 0.00 O ATOM 0 H SER A 73 -0.573 9.760 4.308 1.00 0.00 H new ATOM 0 HA SER A 73 -0.272 12.334 5.552 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.229 11.328 7.369 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.766 10.203 6.137 1.00 0.00 H new ATOM 0 HG SER A 73 -0.269 8.724 6.773 1.00 0.00 H new ATOM 1198 N CYS A 74 2.189 10.199 5.547 1.00 0.00 N ATOM 1199 CA CYS A 74 3.591 9.964 5.874 1.00 0.00 C ATOM 1200 C CYS A 74 4.502 10.739 4.927 1.00 0.00 C ATOM 1201 O CYS A 74 5.514 11.309 5.336 1.00 0.00 O ATOM 1202 CB CYS A 74 3.878 8.462 5.782 1.00 0.00 C ATOM 1203 SG CYS A 74 5.568 7.973 6.206 1.00 0.00 S ATOM 0 H CYS A 74 1.797 9.516 4.898 1.00 0.00 H new ATOM 0 HA CYS A 74 3.789 10.313 6.888 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.188 7.936 6.442 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.665 8.129 4.766 1.00 0.00 H new ATOM 0 HG CYS A 74 6.360 8.996 6.080 1.00 0.00 H new ATOM 1209 N LEU A 75 4.122 10.750 3.666 1.00 0.00 N ATOM 1210 CA LEU A 75 4.910 11.385 2.617 1.00 0.00 C ATOM 1211 C LEU A 75 4.751 12.906 2.614 1.00 0.00 C ATOM 1212 O LEU A 75 5.740 13.626 2.477 1.00 0.00 O ATOM 1213 CB LEU A 75 4.516 10.794 1.265 1.00 0.00 C ATOM 1214 CG LEU A 75 4.538 9.272 1.236 1.00 0.00 C ATOM 1215 CD1 LEU A 75 3.920 8.750 -0.052 1.00 0.00 C ATOM 1216 CD2 LEU A 75 5.953 8.748 1.406 1.00 0.00 C ATOM 0 H LEU A 75 3.259 10.320 3.334 1.00 0.00 H new ATOM 0 HA LEU A 75 5.963 11.184 2.813 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.516 11.140 1.004 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.194 11.174 0.500 1.00 0.00 H new ATOM 0 HG LEU A 75 3.941 8.908 2.072 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.946 7.660 -0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.886 9.089 -0.123 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.484 9.127 -0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.943 7.658 1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.580 9.123 0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.354 9.086 2.362 1.00 0.00 H new ATOM 1228 N ARG A 76 3.518 13.404 2.755 1.00 0.00 N ATOM 1229 CA ARG A 76 3.296 14.846 2.787 1.00 0.00 C ATOM 1230 C ARG A 76 3.989 15.468 3.993 1.00 0.00 C ATOM 1231 O ARG A 76 4.613 16.523 3.892 1.00 0.00 O ATOM 1232 CB ARG A 76 1.808 15.203 2.825 1.00 0.00 C ATOM 1233 CG ARG A 76 1.022 14.786 1.591 1.00 0.00 C ATOM 1234 CD ARG A 76 -0.338 15.458 1.562 1.00 0.00 C ATOM 1235 NE ARG A 76 -0.232 16.917 1.534 1.00 0.00 N ATOM 1236 CZ ARG A 76 -1.185 17.743 1.966 1.00 0.00 C ATOM 1237 NH1 ARG A 76 -2.333 17.263 2.430 1.00 0.00 N ATOM 1238 NH2 ARG A 76 -0.991 19.052 1.923 1.00 0.00 N ATOM 0 H ARG A 76 2.674 12.838 2.847 1.00 0.00 H new ATOM 0 HA ARG A 76 3.719 15.248 1.866 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.358 14.735 3.701 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.710 16.281 2.954 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.581 15.049 0.693 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.897 13.703 1.583 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.891 15.119 0.686 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.911 15.154 2.438 1.00 0.00 H new ATOM 0 HE ARG A 76 0.624 17.327 1.161 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.491 16.256 2.458 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.057 17.902 2.759 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.114 19.426 1.560 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.718 19.686 2.253 1.00 0.00 H new ATOM 1252 N LYS A 77 3.875 14.803 5.133 1.00 0.00 N ATOM 1253 CA LYS A 77 4.469 15.292 6.369 1.00 0.00 C ATOM 1254 C LYS A 77 5.386 14.240 6.973 1.00 0.00 C ATOM 1255 O LYS A 77 4.926 13.217 7.475 1.00 0.00 O ATOM 1256 CB LYS A 77 3.377 15.663 7.369 1.00 0.00 C ATOM 1257 CG LYS A 77 2.630 16.918 6.982 1.00 0.00 C ATOM 1258 CD LYS A 77 1.387 17.115 7.832 1.00 0.00 C ATOM 1259 CE LYS A 77 0.594 18.336 7.393 1.00 0.00 C ATOM 1260 NZ LYS A 77 0.160 18.241 5.973 1.00 0.00 N ATOM 0 H LYS A 77 3.374 13.919 5.228 1.00 0.00 H new ATOM 0 HA LYS A 77 5.058 16.180 6.139 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.671 14.837 7.452 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.824 15.801 8.354 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.287 17.781 7.092 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.347 16.864 5.931 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.756 16.228 7.766 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.675 17.224 8.878 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.282 18.448 8.032 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.203 19.230 7.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.589 18.939 5.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.970 18.432 5.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.205 17.285 5.785 1.00 0.00 H new ATOM 1274 N LYS A 78 6.687 14.503 6.917 1.00 0.00 N ATOM 1275 CA LYS A 78 7.677 13.586 7.460 1.00 0.00 C ATOM 1276 C LYS A 78 7.474 13.410 8.961 1.00 0.00 C ATOM 1277 O LYS A 78 7.361 12.284 9.442 1.00 0.00 O ATOM 1278 CB LYS A 78 9.091 14.099 7.178 1.00 0.00 C ATOM 1279 CG LYS A 78 10.183 13.144 7.630 1.00 0.00 C ATOM 1280 CD LYS A 78 10.122 11.828 6.867 1.00 0.00 C ATOM 1281 CE LYS A 78 11.188 10.848 7.336 1.00 0.00 C ATOM 1282 NZ LYS A 78 11.117 9.555 6.603 1.00 0.00 N ATOM 0 H LYS A 78 7.079 15.347 6.499 1.00 0.00 H new ATOM 0 HA LYS A 78 7.552 12.618 6.974 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.197 14.280 6.108 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.228 15.058 7.678 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.158 13.608 7.481 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.081 12.952 8.698 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.136 11.380 6.994 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.249 12.020 5.802 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.174 11.291 7.196 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.069 10.666 8.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.860 8.916 6.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.185 9.119 6.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.256 9.724 5.586 1.00 0.00 H new ATOM 1296 N ARG A 79 7.407 14.531 9.680 1.00 0.00 N ATOM 1297 CA ARG A 79 7.217 14.542 11.124 1.00 0.00 C ATOM 1298 C ARG A 79 8.411 13.930 11.863 1.00 0.00 C ATOM 1299 O ARG A 79 8.985 12.920 11.446 1.00 0.00 O ATOM 1300 CB ARG A 79 5.933 13.812 11.506 1.00 0.00 C ATOM 1301 CG ARG A 79 4.686 14.348 10.814 1.00 0.00 C ATOM 1302 CD ARG A 79 4.282 15.717 11.342 1.00 0.00 C ATOM 1303 NE ARG A 79 3.876 15.668 12.749 1.00 0.00 N ATOM 1304 CZ ARG A 79 3.282 16.679 13.389 1.00 0.00 C ATOM 1305 NH1 ARG A 79 3.025 17.816 12.750 1.00 0.00 N ATOM 1306 NH2 ARG A 79 2.944 16.548 14.667 1.00 0.00 N ATOM 0 H ARG A 79 7.484 15.462 9.270 1.00 0.00 H new ATOM 0 HA ARG A 79 7.137 15.585 11.429 1.00 0.00 H new ATOM 0 HB2 ARG A 79 6.043 12.755 11.266 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.795 13.881 12.585 1.00 0.00 H new ATOM 0 HG2 ARG A 79 4.867 14.413 9.741 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.863 13.648 10.957 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.117 16.409 11.230 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.461 16.109 10.742 1.00 0.00 H new ATOM 0 HE ARG A 79 4.058 14.811 13.271 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.281 17.918 11.768 1.00 0.00 H new ATOM 0 HH12 ARG A 79 2.571 18.586 13.242 1.00 0.00 H new ATOM 0 HH21 ARG A 79 3.138 15.676 15.159 1.00 0.00 H new ATOM 0 HH22 ARG A 79 2.490 17.320 15.156 1.00 0.00 H new ATOM 1320 N LYS A 80 8.786 14.565 12.958 1.00 0.00 N ATOM 1321 CA LYS A 80 9.849 14.062 13.809 1.00 0.00 C ATOM 1322 C LYS A 80 9.322 12.909 14.654 1.00 0.00 C ATOM 1323 O LYS A 80 8.251 13.021 15.255 1.00 0.00 O ATOM 1324 CB LYS A 80 10.377 15.190 14.702 1.00 0.00 C ATOM 1325 CG LYS A 80 11.487 14.766 15.649 1.00 0.00 C ATOM 1326 CD LYS A 80 12.073 15.955 16.394 1.00 0.00 C ATOM 1327 CE LYS A 80 12.784 16.910 15.447 1.00 0.00 C ATOM 1328 NZ LYS A 80 13.470 18.013 16.170 1.00 0.00 N ATOM 0 H LYS A 80 8.367 15.437 13.281 1.00 0.00 H new ATOM 0 HA LYS A 80 10.670 13.697 13.192 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.744 15.998 14.069 1.00 0.00 H new ATOM 0 HB3 LYS A 80 9.550 15.593 15.287 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.098 14.043 16.366 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.274 14.265 15.086 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.278 16.485 16.918 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.774 15.602 17.151 1.00 0.00 H new ATOM 0 HE2 LYS A 80 13.514 16.356 14.856 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.061 17.331 14.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.940 18.638 15.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 12.771 18.559 16.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 14.179 17.615 16.818 1.00 0.00 H new ATOM 1342 N PRO A 81 10.051 11.782 14.700 1.00 0.00 N ATOM 1343 CA PRO A 81 9.617 10.594 15.440 1.00 0.00 C ATOM 1344 C PRO A 81 9.706 10.792 16.949 1.00 0.00 C ATOM 1345 O PRO A 81 10.774 10.643 17.552 1.00 0.00 O ATOM 1346 CB PRO A 81 10.585 9.506 14.970 1.00 0.00 C ATOM 1347 CG PRO A 81 11.815 10.237 14.548 1.00 0.00 C ATOM 1348 CD PRO A 81 11.363 11.584 14.048 1.00 0.00 C ATOM 0 HA PRO A 81 8.571 10.351 15.252 1.00 0.00 H new ATOM 0 HB2 PRO A 81 10.802 8.799 15.770 1.00 0.00 H new ATOM 0 HB3 PRO A 81 10.164 8.933 14.144 1.00 0.00 H new ATOM 0 HG2 PRO A 81 12.507 10.346 15.383 1.00 0.00 H new ATOM 0 HG3 PRO A 81 12.342 9.690 13.766 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.068 12.369 14.322 1.00 0.00 H new ATOM 0 HD3 PRO A 81 11.276 11.598 12.962 1.00 0.00 H new ATOM 1356 N GLN A 82 8.574 11.133 17.554 1.00 0.00 N ATOM 1357 CA GLN A 82 8.506 11.370 18.987 1.00 0.00 C ATOM 1358 C GLN A 82 8.489 10.052 19.750 1.00 0.00 C ATOM 1359 O GLN A 82 7.451 9.617 20.252 1.00 0.00 O ATOM 1360 CB GLN A 82 7.267 12.196 19.336 1.00 0.00 C ATOM 1361 CG GLN A 82 7.254 13.576 18.697 1.00 0.00 C ATOM 1362 CD GLN A 82 8.468 14.407 19.068 1.00 0.00 C ATOM 1363 OE1 GLN A 82 9.053 14.245 20.141 1.00 0.00 O ATOM 1364 NE2 GLN A 82 8.855 15.311 18.185 1.00 0.00 N ATOM 0 H GLN A 82 7.685 11.252 17.068 1.00 0.00 H new ATOM 0 HA GLN A 82 9.394 11.930 19.281 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.377 11.651 19.021 1.00 0.00 H new ATOM 0 HB3 GLN A 82 7.207 12.306 20.419 1.00 0.00 H new ATOM 0 HG2 GLN A 82 7.210 13.469 17.613 1.00 0.00 H new ATOM 0 HG3 GLN A 82 6.351 14.104 19.002 1.00 0.00 H new ATOM 0 HE21 GLN A 82 8.346 15.417 17.307 1.00 0.00 H new ATOM 0 HE22 GLN A 82 9.662 15.903 18.381 1.00 0.00 H new ATOM 1373 N ALA A 83 9.643 9.421 19.818 1.00 0.00 N ATOM 1374 CA ALA A 83 9.798 8.165 20.525 1.00 0.00 C ATOM 1375 C ALA A 83 11.079 8.194 21.338 1.00 0.00 C ATOM 1376 O ALA A 83 11.008 8.438 22.560 1.00 0.00 O ATOM 1377 CB ALA A 83 9.802 6.996 19.548 1.00 0.00 C ATOM 1378 OXT ALA A 83 12.162 8.029 20.742 1.00 0.00 O ATOM 0 H ALA A 83 10.500 9.764 19.385 1.00 0.00 H new ATOM 0 HA ALA A 83 8.954 8.030 21.202 1.00 0.00 H new ATOM 0 HB1 ALA A 83 9.919 6.062 20.098 1.00 0.00 H new ATOM 0 HB2 ALA A 83 8.861 6.978 18.999 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.629 7.110 18.847 1.00 0.00 H new TER 1384 ALA A 83 ATOM 1385 N LYS B 201 1.893 -6.711 -11.430 1.00 0.00 N ATOM 1386 CA LYS B 201 1.774 -5.349 -10.865 1.00 0.00 C ATOM 1387 C LYS B 201 2.109 -5.372 -9.381 1.00 0.00 C ATOM 1388 O LYS B 201 1.440 -6.055 -8.603 1.00 0.00 O ATOM 1389 CB LYS B 201 0.356 -4.806 -11.069 1.00 0.00 C ATOM 1390 CG LYS B 201 -0.083 -4.776 -12.523 1.00 0.00 C ATOM 1391 CD LYS B 201 -1.508 -4.268 -12.665 1.00 0.00 C ATOM 1392 CE LYS B 201 -2.010 -4.414 -14.092 1.00 0.00 C ATOM 1393 NZ LYS B 201 -3.421 -3.971 -14.235 1.00 0.00 N ATOM 0 HA LYS B 201 2.476 -4.696 -11.382 1.00 0.00 H new ATOM 0 HB2 LYS B 201 -0.343 -5.419 -10.500 1.00 0.00 H new ATOM 0 HB3 LYS B 201 0.301 -3.797 -10.661 1.00 0.00 H new ATOM 0 HG2 LYS B 201 0.591 -4.137 -13.094 1.00 0.00 H new ATOM 0 HG3 LYS B 201 -0.009 -5.777 -12.947 1.00 0.00 H new ATOM 0 HD2 LYS B 201 -2.162 -4.820 -11.990 1.00 0.00 H new ATOM 0 HD3 LYS B 201 -1.554 -3.220 -12.367 1.00 0.00 H new ATOM 0 HE2 LYS B 201 -1.377 -3.830 -14.760 1.00 0.00 H new ATOM 0 HE3 LYS B 201 -1.924 -5.456 -14.402 1.00 0.00 H new ATOM 0 HZ1 LYS B 201 -3.840 -4.412 -15.079 1.00 0.00 H new ATOM 0 HZ2 LYS B 201 -3.961 -4.254 -13.392 1.00 0.00 H new ATOM 0 HZ3 LYS B 201 -3.452 -2.936 -14.334 1.00 0.00 H new ATOM 1409 N TRP B 202 3.158 -4.638 -9.011 1.00 0.00 N ATOM 1410 CA TRP B 202 3.603 -4.537 -7.624 1.00 0.00 C ATOM 1411 C TRP B 202 3.997 -5.915 -7.089 1.00 0.00 C ATOM 1412 O TRP B 202 3.654 -6.290 -5.971 1.00 0.00 O ATOM 1413 CB TRP B 202 2.506 -3.902 -6.761 1.00 0.00 C ATOM 1414 CG TRP B 202 3.024 -3.199 -5.542 1.00 0.00 C ATOM 1415 CD1 TRP B 202 4.247 -2.614 -5.386 1.00 0.00 C ATOM 1416 CD2 TRP B 202 2.316 -2.982 -4.319 1.00 0.00 C ATOM 1417 NE1 TRP B 202 4.347 -2.053 -4.136 1.00 0.00 N ATOM 1418 CE2 TRP B 202 3.175 -2.265 -3.462 1.00 0.00 C ATOM 1419 CE3 TRP B 202 1.042 -3.323 -3.863 1.00 0.00 C ATOM 1420 CZ2 TRP B 202 2.797 -1.884 -2.178 1.00 0.00 C ATOM 1421 CZ3 TRP B 202 0.673 -2.942 -2.586 1.00 0.00 C ATOM 1422 CH2 TRP B 202 1.546 -2.231 -1.759 1.00 0.00 C ATOM 0 H TRP B 202 3.723 -4.097 -9.666 1.00 0.00 H new ATOM 0 HA TRP B 202 4.483 -3.895 -7.581 1.00 0.00 H new ATOM 0 HB2 TRP B 202 1.946 -3.191 -7.368 1.00 0.00 H new ATOM 0 HB3 TRP B 202 1.806 -4.678 -6.451 1.00 0.00 H new ATOM 0 HD1 TRP B 202 5.024 -2.595 -6.136 1.00 0.00 H new ATOM 0 HE1 TRP B 202 5.161 -1.559 -3.770 1.00 0.00 H new ATOM 0 HE3 TRP B 202 0.359 -3.873 -4.494 1.00 0.00 H new ATOM 0 HZ2 TRP B 202 3.470 -1.334 -1.537 1.00 0.00 H new ATOM 0 HZ3 TRP B 202 -0.310 -3.199 -2.221 1.00 0.00 H new ATOM 0 HH2 TRP B 202 1.224 -1.950 -0.767 1.00 0.00 H new ATOM 1433 N THR B 203 4.716 -6.663 -7.911 1.00 0.00 N ATOM 1434 CA THR B 203 5.142 -8.006 -7.556 1.00 0.00 C ATOM 1435 C THR B 203 6.512 -7.972 -6.870 1.00 0.00 C ATOM 1436 O THR B 203 6.974 -6.894 -6.491 1.00 0.00 O ATOM 1437 CB THR B 203 5.187 -8.903 -8.808 1.00 0.00 C ATOM 1438 OG1 THR B 203 4.328 -8.356 -9.821 1.00 0.00 O ATOM 1439 CG2 THR B 203 4.727 -10.318 -8.478 1.00 0.00 C ATOM 0 H THR B 203 5.019 -6.359 -8.836 1.00 0.00 H new ATOM 0 HA THR B 203 4.419 -8.424 -6.856 1.00 0.00 H new ATOM 0 HB THR B 203 6.216 -8.941 -9.167 1.00 0.00 H new ATOM 0 HG1 THR B 203 4.358 -8.926 -10.618 1.00 0.00 H new ATOM 0 HG21 THR B 203 4.767 -10.933 -9.377 1.00 0.00 H new ATOM 0 HG22 THR B 203 5.380 -10.745 -7.717 1.00 0.00 H new ATOM 0 HG23 THR B 203 3.704 -10.290 -8.103 1.00 0.00 H new ATOM 1447 N LEU B 204 7.137 -9.157 -6.738 1.00 0.00 N ATOM 1448 CA LEU B 204 8.396 -9.363 -5.995 1.00 0.00 C ATOM 1449 C LEU B 204 9.288 -8.129 -5.963 1.00 0.00 C ATOM 1450 O LEU B 204 9.509 -7.540 -4.897 1.00 0.00 O ATOM 1451 CB LEU B 204 9.196 -10.529 -6.606 1.00 0.00 C ATOM 1452 CG LEU B 204 8.742 -11.956 -6.250 1.00 0.00 C ATOM 1453 CD1 LEU B 204 8.849 -12.203 -4.755 1.00 0.00 C ATOM 1454 CD2 LEU B 204 7.327 -12.229 -6.734 1.00 0.00 C ATOM 0 H LEU B 204 6.774 -10.015 -7.153 1.00 0.00 H new ATOM 0 HA LEU B 204 8.102 -9.588 -4.970 1.00 0.00 H new ATOM 0 HB2 LEU B 204 9.168 -10.426 -7.691 1.00 0.00 H new ATOM 0 HB3 LEU B 204 10.237 -10.420 -6.302 1.00 0.00 H new ATOM 0 HG LEU B 204 9.410 -12.647 -6.764 1.00 0.00 H new ATOM 0 HD11 LEU B 204 8.522 -13.218 -4.530 1.00 0.00 H new ATOM 0 HD12 LEU B 204 9.884 -12.076 -4.438 1.00 0.00 H new ATOM 0 HD13 LEU B 204 8.217 -11.492 -4.223 1.00 0.00 H new ATOM 0 HD21 LEU B 204 7.040 -13.246 -6.465 1.00 0.00 H new ATOM 0 HD22 LEU B 204 6.640 -11.523 -6.267 1.00 0.00 H new ATOM 0 HD23 LEU B 204 7.285 -12.115 -7.817 1.00 0.00 H new ATOM 1466 N GLU B 205 9.789 -7.750 -7.135 1.00 0.00 N ATOM 1467 CA GLU B 205 10.725 -6.641 -7.265 1.00 0.00 C ATOM 1468 C GLU B 205 10.219 -5.393 -6.554 1.00 0.00 C ATOM 1469 O GLU B 205 10.854 -4.895 -5.627 1.00 0.00 O ATOM 1470 CB GLU B 205 10.965 -6.335 -8.747 1.00 0.00 C ATOM 1471 CG GLU B 205 11.877 -5.144 -8.993 1.00 0.00 C ATOM 1472 CD GLU B 205 13.231 -5.299 -8.336 1.00 0.00 C ATOM 1473 OE1 GLU B 205 13.940 -6.276 -8.652 1.00 0.00 O ATOM 1474 OE2 GLU B 205 13.596 -4.435 -7.509 1.00 0.00 O ATOM 0 H GLU B 205 9.557 -8.203 -8.019 1.00 0.00 H new ATOM 0 HA GLU B 205 11.662 -6.937 -6.794 1.00 0.00 H new ATOM 0 HB2 GLU B 205 11.397 -7.215 -9.224 1.00 0.00 H new ATOM 0 HB3 GLU B 205 10.005 -6.150 -9.229 1.00 0.00 H new ATOM 0 HG2 GLU B 205 12.012 -5.011 -10.066 1.00 0.00 H new ATOM 0 HG3 GLU B 205 11.397 -4.240 -8.617 1.00 0.00 H new ATOM 1481 N ARG B 206 9.060 -4.917 -6.970 1.00 0.00 N ATOM 1482 CA ARG B 206 8.544 -3.641 -6.505 1.00 0.00 C ATOM 1483 C ARG B 206 8.479 -3.600 -4.978 1.00 0.00 C ATOM 1484 O ARG B 206 9.297 -2.933 -4.326 1.00 0.00 O ATOM 1485 CB ARG B 206 7.160 -3.393 -7.110 1.00 0.00 C ATOM 1486 CG ARG B 206 7.091 -3.676 -8.604 1.00 0.00 C ATOM 1487 CD ARG B 206 7.924 -2.696 -9.416 1.00 0.00 C ATOM 1488 NE ARG B 206 7.241 -1.418 -9.607 1.00 0.00 N ATOM 1489 CZ ARG B 206 7.752 -0.397 -10.295 1.00 0.00 C ATOM 1490 NH1 ARG B 206 8.978 -0.480 -10.798 1.00 0.00 N ATOM 1491 NH2 ARG B 206 7.038 0.705 -10.478 1.00 0.00 N ATOM 0 H ARG B 206 8.454 -5.398 -7.634 1.00 0.00 H new ATOM 0 HA ARG B 206 9.222 -2.851 -6.830 1.00 0.00 H new ATOM 0 HB2 ARG B 206 6.430 -4.018 -6.596 1.00 0.00 H new ATOM 0 HB3 ARG B 206 6.874 -2.356 -6.931 1.00 0.00 H new ATOM 0 HG2 ARG B 206 7.439 -4.691 -8.796 1.00 0.00 H new ATOM 0 HG3 ARG B 206 6.053 -3.627 -8.933 1.00 0.00 H new ATOM 0 HD2 ARG B 206 8.876 -2.526 -8.912 1.00 0.00 H new ATOM 0 HD3 ARG B 206 8.152 -3.133 -10.388 1.00 0.00 H new ATOM 0 HE ARG B 206 6.318 -1.300 -9.189 1.00 0.00 H new ATOM 0 HH11 ARG B 206 9.530 -1.326 -10.658 1.00 0.00 H new ATOM 0 HH12 ARG B 206 9.367 0.302 -11.324 1.00 0.00 H new ATOM 0 HH21 ARG B 206 6.096 0.772 -10.092 1.00 0.00 H new ATOM 0 HH22 ARG B 206 7.430 1.485 -11.005 1.00 0.00 H new ATOM 1505 N LEU B 207 7.558 -4.359 -4.403 1.00 0.00 N ATOM 1506 CA LEU B 207 7.327 -4.288 -2.971 1.00 0.00 C ATOM 1507 C LEU B 207 8.440 -4.968 -2.189 1.00 0.00 C ATOM 1508 O LEU B 207 9.181 -4.298 -1.487 1.00 0.00 O ATOM 1509 CB LEU B 207 5.973 -4.888 -2.589 1.00 0.00 C ATOM 1510 CG LEU B 207 5.653 -4.862 -1.087 1.00 0.00 C ATOM 1511 CD1 LEU B 207 5.718 -3.445 -0.537 1.00 0.00 C ATOM 1512 CD2 LEU B 207 4.287 -5.458 -0.832 1.00 0.00 C ATOM 0 H LEU B 207 6.965 -5.024 -4.901 1.00 0.00 H new ATOM 0 HA LEU B 207 7.320 -3.231 -2.707 1.00 0.00 H new ATOM 0 HB2 LEU B 207 5.190 -4.348 -3.122 1.00 0.00 H new ATOM 0 HB3 LEU B 207 5.940 -5.921 -2.935 1.00 0.00 H new ATOM 0 HG LEU B 207 6.404 -5.461 -0.572 1.00 0.00 H new ATOM 0 HD11 LEU B 207 5.487 -3.457 0.528 1.00 0.00 H new ATOM 0 HD12 LEU B 207 6.720 -3.042 -0.687 1.00 0.00 H new ATOM 0 HD13 LEU B 207 4.994 -2.819 -1.058 1.00 0.00 H new ATOM 0 HD21 LEU B 207 4.073 -5.433 0.236 1.00 0.00 H new ATOM 0 HD22 LEU B 207 3.533 -4.881 -1.367 1.00 0.00 H new ATOM 0 HD23 LEU B 207 4.269 -6.490 -1.182 1.00 0.00 H new ATOM 1524 N LYS B 208 8.585 -6.281 -2.337 1.00 0.00 N ATOM 1525 CA LYS B 208 9.474 -7.040 -1.462 1.00 0.00 C ATOM 1526 C LYS B 208 10.926 -6.609 -1.614 1.00 0.00 C ATOM 1527 O LYS B 208 11.666 -6.540 -0.627 1.00 0.00 O ATOM 1528 CB LYS B 208 9.355 -8.535 -1.735 1.00 0.00 C ATOM 1529 CG LYS B 208 10.191 -9.401 -0.805 1.00 0.00 C ATOM 1530 CD LYS B 208 10.147 -10.870 -1.204 1.00 0.00 C ATOM 1531 CE LYS B 208 8.941 -11.599 -0.623 1.00 0.00 C ATOM 1532 NZ LYS B 208 7.644 -11.026 -1.066 1.00 0.00 N ATOM 0 H LYS B 208 8.105 -6.837 -3.045 1.00 0.00 H new ATOM 0 HA LYS B 208 9.163 -6.833 -0.438 1.00 0.00 H new ATOM 0 HB2 LYS B 208 8.309 -8.828 -1.646 1.00 0.00 H new ATOM 0 HB3 LYS B 208 9.654 -8.731 -2.765 1.00 0.00 H new ATOM 0 HG2 LYS B 208 11.224 -9.053 -0.816 1.00 0.00 H new ATOM 0 HG3 LYS B 208 9.828 -9.291 0.217 1.00 0.00 H new ATOM 0 HD2 LYS B 208 10.124 -10.947 -2.291 1.00 0.00 H new ATOM 0 HD3 LYS B 208 11.060 -11.361 -0.869 1.00 0.00 H new ATOM 0 HE2 LYS B 208 8.985 -12.649 -0.912 1.00 0.00 H new ATOM 0 HE3 LYS B 208 8.993 -11.565 0.465 1.00 0.00 H new ATOM 0 HZ1 LYS B 208 6.890 -11.730 -0.934 1.00 0.00 H new ATOM 0 HZ2 LYS B 208 7.429 -10.178 -0.503 1.00 0.00 H new ATOM 0 HZ3 LYS B 208 7.704 -10.768 -2.072 1.00 0.00 H new ATOM 1546 N ARG B 209 11.341 -6.303 -2.836 1.00 0.00 N ATOM 1547 CA ARG B 209 12.734 -5.980 -3.075 1.00 0.00 C ATOM 1548 C ARG B 209 13.057 -4.561 -2.619 1.00 0.00 C ATOM 1549 O ARG B 209 14.209 -4.266 -2.304 1.00 0.00 O ATOM 1550 CB ARG B 209 13.110 -6.176 -4.544 1.00 0.00 C ATOM 1551 CG ARG B 209 13.512 -7.599 -4.925 1.00 0.00 C ATOM 1552 CD ARG B 209 12.441 -8.640 -4.605 1.00 0.00 C ATOM 1553 NE ARG B 209 12.708 -9.905 -5.296 1.00 0.00 N ATOM 1554 CZ ARG B 209 12.714 -11.103 -4.707 1.00 0.00 C ATOM 1555 NH1 ARG B 209 12.536 -11.207 -3.395 1.00 0.00 N ATOM 1556 NH2 ARG B 209 12.928 -12.196 -5.431 1.00 0.00 N ATOM 0 H ARG B 209 10.742 -6.273 -3.661 1.00 0.00 H new ATOM 0 HA ARG B 209 13.334 -6.671 -2.483 1.00 0.00 H new ATOM 0 HB2 ARG B 209 12.264 -5.876 -5.163 1.00 0.00 H new ATOM 0 HB3 ARG B 209 13.935 -5.505 -4.785 1.00 0.00 H new ATOM 0 HG2 ARG B 209 13.733 -7.633 -5.992 1.00 0.00 H new ATOM 0 HG3 ARG B 209 14.431 -7.861 -4.401 1.00 0.00 H new ATOM 0 HD2 ARG B 209 12.406 -8.811 -3.529 1.00 0.00 H new ATOM 0 HD3 ARG B 209 11.462 -8.261 -4.900 1.00 0.00 H new ATOM 0 HE ARG B 209 12.903 -9.867 -6.297 1.00 0.00 H new ATOM 0 HH11 ARG B 209 12.394 -10.369 -2.832 1.00 0.00 H new ATOM 0 HH12 ARG B 209 12.542 -12.125 -2.951 1.00 0.00 H new ATOM 0 HH21 ARG B 209 13.087 -12.119 -6.436 1.00 0.00 H new ATOM 0 HH22 ARG B 209 12.933 -13.112 -4.982 1.00 0.00 H new ATOM 1570 N LYS B 210 12.066 -3.666 -2.579 1.00 0.00 N ATOM 1571 CA LYS B 210 12.318 -2.338 -2.032 1.00 0.00 C ATOM 1572 C LYS B 210 11.992 -2.286 -0.534 1.00 0.00 C ATOM 1573 O LYS B 210 12.616 -1.540 0.217 1.00 0.00 O ATOM 1574 CB LYS B 210 11.547 -1.257 -2.801 1.00 0.00 C ATOM 1575 CG LYS B 210 11.837 0.155 -2.309 1.00 0.00 C ATOM 1576 CD LYS B 210 13.334 0.410 -2.197 1.00 0.00 C ATOM 1577 CE LYS B 210 13.634 1.717 -1.489 1.00 0.00 C ATOM 1578 NZ LYS B 210 15.050 1.786 -1.046 1.00 0.00 N ATOM 0 H LYS B 210 11.114 -3.831 -2.907 1.00 0.00 H new ATOM 0 HA LYS B 210 13.382 -2.132 -2.152 1.00 0.00 H new ATOM 0 HB2 LYS B 210 11.799 -1.324 -3.859 1.00 0.00 H new ATOM 0 HB3 LYS B 210 10.478 -1.452 -2.715 1.00 0.00 H new ATOM 0 HG2 LYS B 210 11.394 0.878 -2.994 1.00 0.00 H new ATOM 0 HG3 LYS B 210 11.367 0.307 -1.337 1.00 0.00 H new ATOM 0 HD2 LYS B 210 13.803 -0.412 -1.656 1.00 0.00 H new ATOM 0 HD3 LYS B 210 13.775 0.428 -3.194 1.00 0.00 H new ATOM 0 HE2 LYS B 210 13.420 2.551 -2.157 1.00 0.00 H new ATOM 0 HE3 LYS B 210 12.977 1.823 -0.626 1.00 0.00 H new ATOM 0 HZ1 LYS B 210 15.365 2.777 -1.045 1.00 0.00 H new ATOM 0 HZ2 LYS B 210 15.133 1.395 -0.086 1.00 0.00 H new ATOM 0 HZ3 LYS B 210 15.645 1.234 -1.697 1.00 0.00 H new ATOM 1592 N TYR B 211 11.027 -3.093 -0.110 1.00 0.00 N ATOM 1593 CA TYR B 211 10.640 -3.194 1.300 1.00 0.00 C ATOM 1594 C TYR B 211 11.856 -3.545 2.151 1.00 0.00 C ATOM 1595 O TYR B 211 12.082 -2.977 3.220 1.00 0.00 O ATOM 1596 CB TYR B 211 9.567 -4.286 1.459 1.00 0.00 C ATOM 1597 CG TYR B 211 8.895 -4.348 2.814 1.00 0.00 C ATOM 1598 CD1 TYR B 211 7.547 -4.048 2.939 1.00 0.00 C ATOM 1599 CD2 TYR B 211 9.594 -4.713 3.961 1.00 0.00 C ATOM 1600 CE1 TYR B 211 6.913 -4.108 4.166 1.00 0.00 C ATOM 1601 CE2 TYR B 211 8.968 -4.773 5.190 1.00 0.00 C ATOM 1602 CZ TYR B 211 7.628 -4.468 5.289 1.00 0.00 C ATOM 1603 OH TYR B 211 7.002 -4.521 6.514 1.00 0.00 O ATOM 0 H TYR B 211 10.488 -3.697 -0.730 1.00 0.00 H new ATOM 0 HA TYR B 211 10.239 -2.236 1.631 1.00 0.00 H new ATOM 0 HB2 TYR B 211 8.801 -4.131 0.700 1.00 0.00 H new ATOM 0 HB3 TYR B 211 10.026 -5.254 1.256 1.00 0.00 H new ATOM 0 HD1 TYR B 211 6.983 -3.763 2.063 1.00 0.00 H new ATOM 0 HD2 TYR B 211 10.644 -4.953 3.888 1.00 0.00 H new ATOM 0 HE1 TYR B 211 5.862 -3.874 4.245 1.00 0.00 H new ATOM 0 HE2 TYR B 211 9.526 -5.058 6.070 1.00 0.00 H new ATOM 0 HH TYR B 211 7.647 -4.792 7.200 1.00 0.00 H new ATOM 1613 N ARG B 212 12.638 -4.480 1.646 1.00 0.00 N ATOM 1614 CA ARG B 212 13.779 -5.015 2.366 1.00 0.00 C ATOM 1615 C ARG B 212 15.064 -4.255 2.006 1.00 0.00 C ATOM 1616 O ARG B 212 16.158 -4.606 2.449 1.00 0.00 O ATOM 1617 CB ARG B 212 13.896 -6.506 2.041 1.00 0.00 C ATOM 1618 CG ARG B 212 14.925 -7.261 2.858 1.00 0.00 C ATOM 1619 CD ARG B 212 14.769 -8.756 2.666 1.00 0.00 C ATOM 1620 NE ARG B 212 15.934 -9.495 3.139 1.00 0.00 N ATOM 1621 CZ ARG B 212 16.088 -10.809 2.997 1.00 0.00 C ATOM 1622 NH1 ARG B 212 15.099 -11.548 2.514 1.00 0.00 N ATOM 1623 NH2 ARG B 212 17.221 -11.387 3.372 1.00 0.00 N ATOM 0 H ARG B 212 12.500 -4.891 0.723 1.00 0.00 H new ATOM 0 HA ARG B 212 13.634 -4.889 3.439 1.00 0.00 H new ATOM 0 HB2 ARG B 212 12.922 -6.972 2.190 1.00 0.00 H new ATOM 0 HB3 ARG B 212 14.143 -6.614 0.985 1.00 0.00 H new ATOM 0 HG2 ARG B 212 15.928 -6.954 2.562 1.00 0.00 H new ATOM 0 HG3 ARG B 212 14.813 -7.011 3.913 1.00 0.00 H new ATOM 0 HD2 ARG B 212 13.882 -9.099 3.199 1.00 0.00 H new ATOM 0 HD3 ARG B 212 14.609 -8.970 1.609 1.00 0.00 H new ATOM 0 HE ARG B 212 16.675 -8.973 3.607 1.00 0.00 H new ATOM 0 HH11 ARG B 212 14.217 -11.110 2.250 1.00 0.00 H new ATOM 0 HH12 ARG B 212 15.220 -12.555 2.406 1.00 0.00 H new ATOM 0 HH21 ARG B 212 17.974 -10.824 3.769 1.00 0.00 H new ATOM 0 HH22 ARG B 212 17.340 -12.394 3.264 1.00 0.00 H new ATOM 1637 N ASN B 213 14.924 -3.213 1.196 1.00 0.00 N ATOM 1638 CA ASN B 213 16.072 -2.428 0.757 1.00 0.00 C ATOM 1639 C ASN B 213 16.036 -1.027 1.362 1.00 0.00 C ATOM 1640 O ASN B 213 16.708 -0.808 2.389 1.00 0.00 O ATOM 1641 CB ASN B 213 16.111 -2.339 -0.768 1.00 0.00 C ATOM 1642 CG ASN B 213 17.273 -1.505 -1.274 1.00 0.00 C ATOM 1643 OD1 ASN B 213 17.148 -0.294 -1.472 1.00 0.00 O ATOM 1644 ND2 ASN B 213 18.406 -2.143 -1.498 1.00 0.00 N ATOM 1645 OXT ASN B 213 15.333 -0.151 0.814 1.00 0.00 O ATOM 0 H ASN B 213 14.028 -2.892 0.830 1.00 0.00 H new ATOM 0 HA ASN B 213 16.975 -2.931 1.103 1.00 0.00 H new ATOM 0 HB2 ASN B 213 16.181 -3.344 -1.185 1.00 0.00 H new ATOM 0 HB3 ASN B 213 15.176 -1.909 -1.127 1.00 0.00 H new ATOM 0 HD21 ASN B 213 19.218 -1.634 -1.847 1.00 0.00 H new ATOM 0 HD22 ASN B 213 18.470 -3.146 -1.322 1.00 0.00 H new TER 1652 ASN B 213