USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 778 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 12 THR OG1 : rot 57:sc= 1.14 USER MOD Single : A 1 MET CE :methyl 140:sc= -0.153 (180deg=-0.766) USER MOD Single : A 1 MET N :NH3+ 170:sc= -0.0965 (180deg=-0.302) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc=-0.00311 USER MOD Single : A 16 HIS : no HD1:sc= -0.387 K(o=-0.39,f=-0.96) USER MOD Single : A 18 THR OG1 : rot -170:sc= -0.0846 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 178:sc= -5.45! (180deg=-5.61!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.151 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -37:sc= 0.749 USER MOD Single : A 46 THR OG1 : rot -28:sc= 0.0246 USER MOD Single : A 51 HIS : no HE2:sc= -1.69 K(o=-1.7,f=-3.3!) USER MOD Single : A 54 GLN : amide:sc= -0.825 K(o=-0.82,f=-5.1!) USER MOD Single : A 55 SER OG : rot 100:sc= 0.329 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 87:sc= 1.28 USER MOD Single : A 64 LYS NZ :NH3+ 170:sc=-0.00632 (180deg=-0.139) USER MOD Single : A 67 ASN : amide:sc= -0.0219 K(o=-0.022,f=-1.2) USER MOD Single : A 70 GLN : amide:sc= -2.05 K(o=-2.1,f=-5.6!) USER MOD Single : A 71 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0117) USER MOD Single : A 73 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 161:sc= -0.0739 (180deg=-0.52) USER MOD Single : A 76 HIS : no HD1:sc= -0.067 X(o=-0.067,f=0) USER MOD Single : A 79 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 84 LYS NZ :NH3+ -146:sc= -1.89! (180deg=-3.8!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -179:sc= -0.752 (180deg=-0.761) USER MOD Single : A 91 LYS NZ :NH3+ 165:sc= -0.0467 (180deg=-0.233) USER MOD Single : A 93 MET CE :methyl 158:sc= -0.139 (180deg=-0.649) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.424 K(o=-0.42,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.833 -2.298 13.507 1.00 0.00 N ATOM 2 CA MET A 1 -8.866 -0.830 13.286 1.00 0.00 C ATOM 3 C MET A 1 -8.323 -0.473 11.907 1.00 0.00 C ATOM 4 O MET A 1 -7.979 -1.352 11.117 1.00 0.00 O ATOM 5 CB MET A 1 -8.050 -0.115 14.366 1.00 0.00 C ATOM 6 CG MET A 1 -6.616 -0.610 14.477 1.00 0.00 C ATOM 7 SD MET A 1 -5.684 0.245 15.764 1.00 0.00 S ATOM 8 CE MET A 1 -6.635 -0.189 17.218 1.00 0.00 C ATOM 0 H1 MET A 1 -9.045 -2.504 14.504 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.542 -2.756 12.900 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.888 -2.663 13.272 1.00 0.00 H new ATOM 0 HA MET A 1 -9.904 -0.503 13.343 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.041 0.954 14.154 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.545 -0.244 15.328 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.620 -1.680 14.686 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.114 -0.475 13.519 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.958 -0.397 18.047 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.291 0.640 17.485 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.236 -1.074 17.009 1.00 0.00 H new ATOM 20 N GLU A 2 -8.252 0.824 11.625 1.00 0.00 N ATOM 21 CA GLU A 2 -7.753 1.307 10.342 1.00 0.00 C ATOM 22 C GLU A 2 -6.286 0.934 10.148 1.00 0.00 C ATOM 23 O GLU A 2 -5.828 0.750 9.020 1.00 0.00 O ATOM 24 CB GLU A 2 -7.929 2.824 10.243 1.00 0.00 C ATOM 25 CG GLU A 2 -7.214 3.593 11.342 1.00 0.00 C ATOM 26 CD GLU A 2 -7.504 5.081 11.294 1.00 0.00 C ATOM 27 OE1 GLU A 2 -6.770 5.806 10.590 1.00 0.00 O ATOM 28 OE2 GLU A 2 -8.466 5.520 11.958 1.00 0.00 O ATOM 0 H GLU A 2 -8.535 1.562 12.270 1.00 0.00 H new ATOM 0 HA GLU A 2 -8.332 0.829 9.552 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.559 3.162 9.275 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.992 3.061 10.278 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.516 3.199 12.312 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -6.140 3.433 11.253 1.00 0.00 H new ATOM 35 N SER A 3 -5.555 0.830 11.253 1.00 0.00 N ATOM 36 CA SER A 3 -4.139 0.481 11.207 1.00 0.00 C ATOM 37 C SER A 3 -3.930 -0.895 10.580 1.00 0.00 C ATOM 38 O SER A 3 -2.939 -1.128 9.888 1.00 0.00 O ATOM 39 CB SER A 3 -3.543 0.504 12.616 1.00 0.00 C ATOM 40 OG SER A 3 -2.167 0.165 12.593 1.00 0.00 O ATOM 0 H SER A 3 -5.920 0.983 12.193 1.00 0.00 H new ATOM 0 HA SER A 3 -3.631 1.221 10.588 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.669 1.495 13.052 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.083 -0.196 13.254 1.00 0.00 H new ATOM 0 HG SER A 3 -1.809 0.188 13.505 1.00 0.00 H new ATOM 46 N GLU A 4 -4.871 -1.800 10.825 1.00 0.00 N ATOM 47 CA GLU A 4 -4.791 -3.156 10.291 1.00 0.00 C ATOM 48 C GLU A 4 -5.124 -3.184 8.802 1.00 0.00 C ATOM 49 O GLU A 4 -4.620 -4.028 8.060 1.00 0.00 O ATOM 50 CB GLU A 4 -5.738 -4.082 11.057 1.00 0.00 C ATOM 51 CG GLU A 4 -5.486 -4.107 12.557 1.00 0.00 C ATOM 52 CD GLU A 4 -6.378 -5.094 13.283 1.00 0.00 C ATOM 53 OE1 GLU A 4 -7.554 -4.757 13.537 1.00 0.00 O ATOM 54 OE2 GLU A 4 -5.902 -6.205 13.598 1.00 0.00 O ATOM 0 H GLU A 4 -5.700 -1.619 11.391 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.767 -3.507 10.416 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.766 -3.768 10.875 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.640 -5.094 10.664 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.443 -4.362 12.742 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.647 -3.109 12.965 1.00 0.00 H new ATOM 61 N TYR A 5 -5.974 -2.259 8.371 1.00 0.00 N ATOM 62 CA TYR A 5 -6.380 -2.181 6.970 1.00 0.00 C ATOM 63 C TYR A 5 -5.252 -1.648 6.090 1.00 0.00 C ATOM 64 O TYR A 5 -5.101 -2.068 4.945 1.00 0.00 O ATOM 65 CB TYR A 5 -7.620 -1.293 6.827 1.00 0.00 C ATOM 66 CG TYR A 5 -8.004 -1.007 5.391 1.00 0.00 C ATOM 67 CD1 TYR A 5 -8.470 -2.018 4.560 1.00 0.00 C ATOM 68 CD2 TYR A 5 -7.899 0.276 4.869 1.00 0.00 C ATOM 69 CE1 TYR A 5 -8.819 -1.758 3.249 1.00 0.00 C ATOM 70 CE2 TYR A 5 -8.247 0.543 3.558 1.00 0.00 C ATOM 71 CZ TYR A 5 -8.707 -0.478 2.753 1.00 0.00 C ATOM 72 OH TYR A 5 -9.053 -0.215 1.447 1.00 0.00 O ATOM 0 H TYR A 5 -6.397 -1.551 8.971 1.00 0.00 H new ATOM 0 HA TYR A 5 -6.619 -3.191 6.636 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -8.460 -1.774 7.329 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -7.440 -0.348 7.340 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -8.561 -3.023 4.945 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -7.540 1.078 5.497 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -9.178 -2.555 2.615 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -8.159 1.546 3.166 1.00 0.00 H new ATOM 0 HH TYR A 5 -8.916 0.737 1.258 1.00 0.00 H new ATOM 82 N ARG A 6 -4.466 -0.721 6.626 1.00 0.00 N ATOM 83 CA ARG A 6 -3.363 -0.130 5.873 1.00 0.00 C ATOM 84 C ARG A 6 -2.119 -1.016 5.900 1.00 0.00 C ATOM 85 O ARG A 6 -1.482 -1.235 4.870 1.00 0.00 O ATOM 86 CB ARG A 6 -3.031 1.261 6.420 1.00 0.00 C ATOM 87 CG ARG A 6 -2.675 1.276 7.898 1.00 0.00 C ATOM 88 CD ARG A 6 -2.493 2.696 8.411 1.00 0.00 C ATOM 89 NE ARG A 6 -2.103 2.728 9.817 1.00 0.00 N ATOM 90 CZ ARG A 6 -2.502 3.667 10.672 1.00 0.00 C ATOM 91 NH1 ARG A 6 -3.314 4.634 10.270 1.00 0.00 N ATOM 92 NH2 ARG A 6 -2.091 3.635 11.932 1.00 0.00 N ATOM 0 H ARG A 6 -4.570 -0.363 7.575 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.685 -0.041 4.835 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -2.197 1.674 5.852 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.885 1.918 6.256 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -3.460 0.780 8.468 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.758 0.709 8.059 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -1.735 3.202 7.814 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -3.423 3.250 8.281 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.491 1.990 10.164 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -3.636 4.661 9.302 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -3.617 5.352 10.928 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -1.469 2.891 12.247 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -2.397 4.355 12.587 1.00 0.00 H new ATOM 106 N GLU A 7 -1.780 -1.527 7.077 1.00 0.00 N ATOM 107 CA GLU A 7 -0.602 -2.376 7.237 1.00 0.00 C ATOM 108 C GLU A 7 -0.712 -3.664 6.423 1.00 0.00 C ATOM 109 O GLU A 7 0.186 -3.997 5.649 1.00 0.00 O ATOM 110 CB GLU A 7 -0.394 -2.717 8.713 1.00 0.00 C ATOM 111 CG GLU A 7 0.850 -3.550 8.977 1.00 0.00 C ATOM 112 CD GLU A 7 1.033 -3.876 10.446 1.00 0.00 C ATOM 113 OE1 GLU A 7 0.495 -4.911 10.895 1.00 0.00 O ATOM 114 OE2 GLU A 7 1.713 -3.098 11.147 1.00 0.00 O ATOM 0 H GLU A 7 -2.304 -1.369 7.938 1.00 0.00 H new ATOM 0 HA GLU A 7 0.255 -1.816 6.864 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.329 -1.792 9.285 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.267 -3.257 9.079 1.00 0.00 H new ATOM 0 HG2 GLU A 7 0.789 -4.478 8.408 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.726 -3.012 8.616 1.00 0.00 H new ATOM 121 N MET A 8 -1.814 -4.384 6.602 1.00 0.00 N ATOM 122 CA MET A 8 -2.027 -5.647 5.901 1.00 0.00 C ATOM 123 C MET A 8 -2.142 -5.455 4.390 1.00 0.00 C ATOM 124 O MET A 8 -1.476 -6.145 3.619 1.00 0.00 O ATOM 125 CB MET A 8 -3.283 -6.341 6.435 1.00 0.00 C ATOM 126 CG MET A 8 -3.576 -7.671 5.760 1.00 0.00 C ATOM 127 SD MET A 8 -2.207 -8.836 5.897 1.00 0.00 S ATOM 128 CE MET A 8 -2.838 -10.217 4.947 1.00 0.00 C ATOM 0 H MET A 8 -2.574 -4.115 7.227 1.00 0.00 H new ATOM 0 HA MET A 8 -1.154 -6.273 6.088 1.00 0.00 H new ATOM 0 HB2 MET A 8 -3.170 -6.504 7.507 1.00 0.00 H new ATOM 0 HB3 MET A 8 -4.139 -5.679 6.302 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.468 -8.111 6.205 1.00 0.00 H new ATOM 0 HG3 MET A 8 -3.797 -7.498 4.707 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.101 -11.020 4.939 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.763 -10.577 5.398 1.00 0.00 H new ATOM 0 HE3 MET A 8 -3.035 -9.895 3.924 1.00 0.00 H new ATOM 138 N LEU A 9 -2.982 -4.514 3.969 1.00 0.00 N ATOM 139 CA LEU A 9 -3.194 -4.255 2.544 1.00 0.00 C ATOM 140 C LEU A 9 -1.888 -3.937 1.819 1.00 0.00 C ATOM 141 O LEU A 9 -1.722 -4.283 0.649 1.00 0.00 O ATOM 142 CB LEU A 9 -4.187 -3.105 2.357 1.00 0.00 C ATOM 143 CG LEU A 9 -4.616 -2.841 0.911 1.00 0.00 C ATOM 144 CD1 LEU A 9 -6.050 -2.337 0.864 1.00 0.00 C ATOM 145 CD2 LEU A 9 -3.680 -1.838 0.250 1.00 0.00 C ATOM 0 H LEU A 9 -3.527 -3.918 4.591 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.603 -5.165 2.106 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.077 -3.315 2.950 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.743 -2.194 2.759 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.561 -3.780 0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.338 -2.155 -0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.713 -3.085 1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.128 -1.409 1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.001 -1.663 -0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.704 -0.899 0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.664 -2.233 0.250 1.00 0.00 H new ATOM 157 N LEU A 10 -0.965 -3.281 2.512 1.00 0.00 N ATOM 158 CA LEU A 10 0.313 -2.912 1.913 1.00 0.00 C ATOM 159 C LEU A 10 1.269 -4.097 1.835 1.00 0.00 C ATOM 160 O LEU A 10 1.721 -4.465 0.751 1.00 0.00 O ATOM 161 CB LEU A 10 0.966 -1.780 2.707 1.00 0.00 C ATOM 162 CG LEU A 10 0.278 -0.420 2.587 1.00 0.00 C ATOM 163 CD1 LEU A 10 0.891 0.567 3.566 1.00 0.00 C ATOM 164 CD2 LEU A 10 0.381 0.108 1.163 1.00 0.00 C ATOM 0 H LEU A 10 -1.076 -2.994 3.485 1.00 0.00 H new ATOM 0 HA LEU A 10 0.107 -2.577 0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.993 -2.064 3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.000 -1.676 2.378 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.777 -0.542 2.831 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.392 1.532 3.471 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.769 0.194 4.583 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.952 0.684 3.348 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.114 1.077 1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.431 0.218 0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.099 -0.592 0.480 1.00 0.00 H new ATOM 176 N LEU A 11 1.573 -4.690 2.984 1.00 0.00 N ATOM 177 CA LEU A 11 2.495 -5.820 3.041 1.00 0.00 C ATOM 178 C LEU A 11 2.072 -6.947 2.099 1.00 0.00 C ATOM 179 O LEU A 11 2.904 -7.748 1.672 1.00 0.00 O ATOM 180 CB LEU A 11 2.622 -6.337 4.479 1.00 0.00 C ATOM 181 CG LEU A 11 1.380 -7.023 5.057 1.00 0.00 C ATOM 182 CD1 LEU A 11 1.331 -8.492 4.659 1.00 0.00 C ATOM 183 CD2 LEU A 11 1.363 -6.885 6.570 1.00 0.00 C ATOM 0 H LEU A 11 1.195 -4.408 3.888 1.00 0.00 H new ATOM 0 HA LEU A 11 3.470 -5.465 2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.453 -7.041 4.519 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.883 -5.498 5.124 1.00 0.00 H new ATOM 0 HG LEU A 11 0.497 -6.533 4.646 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.439 -8.954 5.083 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.301 -8.574 3.572 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.218 -9.001 5.036 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.476 -7.376 6.970 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.255 -7.351 6.988 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.345 -5.829 6.839 1.00 0.00 H new ATOM 195 N THR A 12 0.782 -7.008 1.776 1.00 0.00 N ATOM 196 CA THR A 12 0.274 -8.043 0.881 1.00 0.00 C ATOM 197 C THR A 12 0.948 -7.959 -0.484 1.00 0.00 C ATOM 198 O THR A 12 1.151 -8.974 -1.150 1.00 0.00 O ATOM 199 CB THR A 12 -1.254 -7.940 0.693 1.00 0.00 C ATOM 200 OG1 THR A 12 -1.913 -8.019 1.962 1.00 0.00 O ATOM 201 CG2 THR A 12 -1.765 -9.054 -0.211 1.00 0.00 C ATOM 0 H THR A 12 0.075 -6.358 2.118 1.00 0.00 H new ATOM 0 HA THR A 12 0.505 -9.001 1.347 1.00 0.00 H new ATOM 0 HB THR A 12 -1.473 -6.979 0.227 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.568 -7.318 2.554 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.845 -8.961 -0.329 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.286 -8.979 -1.187 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.531 -10.021 0.235 1.00 0.00 H new ATOM 209 N GLY A 13 1.293 -6.743 -0.895 1.00 0.00 N ATOM 210 CA GLY A 13 1.940 -6.548 -2.180 1.00 0.00 C ATOM 211 C GLY A 13 3.454 -6.525 -2.078 1.00 0.00 C ATOM 212 O GLY A 13 4.143 -7.101 -2.918 1.00 0.00 O ATOM 0 H GLY A 13 1.136 -5.888 -0.361 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.638 -7.346 -2.859 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.595 -5.611 -2.617 1.00 0.00 H new ATOM 216 N LEU A 14 3.973 -5.860 -1.048 1.00 0.00 N ATOM 217 CA LEU A 14 5.417 -5.768 -0.848 1.00 0.00 C ATOM 218 C LEU A 14 6.044 -7.154 -0.702 1.00 0.00 C ATOM 219 O LEU A 14 7.161 -7.392 -1.160 1.00 0.00 O ATOM 220 CB LEU A 14 5.741 -4.923 0.393 1.00 0.00 C ATOM 221 CG LEU A 14 5.637 -3.404 0.212 1.00 0.00 C ATOM 222 CD1 LEU A 14 6.569 -2.925 -0.891 1.00 0.00 C ATOM 223 CD2 LEU A 14 4.203 -2.993 -0.085 1.00 0.00 C ATOM 0 H LEU A 14 3.417 -5.378 -0.341 1.00 0.00 H new ATOM 0 HA LEU A 14 5.839 -5.285 -1.729 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.069 -5.221 1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.753 -5.163 0.718 1.00 0.00 H new ATOM 0 HG LEU A 14 5.942 -2.932 1.146 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.478 -1.844 -1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.598 -3.178 -0.634 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.301 -3.409 -1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.153 -1.911 -0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.867 -3.480 -1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.560 -3.293 0.742 1.00 0.00 H new ATOM 235 N ASP A 15 5.316 -8.062 -0.058 1.00 0.00 N ATOM 236 CA ASP A 15 5.802 -9.422 0.161 1.00 0.00 C ATOM 237 C ASP A 15 5.596 -10.302 -1.074 1.00 0.00 C ATOM 238 O ASP A 15 6.024 -11.457 -1.096 1.00 0.00 O ATOM 239 CB ASP A 15 5.092 -10.041 1.368 1.00 0.00 C ATOM 240 CG ASP A 15 5.630 -11.415 1.719 1.00 0.00 C ATOM 241 OD1 ASP A 15 6.645 -11.488 2.445 1.00 0.00 O ATOM 242 OD2 ASP A 15 5.037 -12.418 1.270 1.00 0.00 O ATOM 0 H ASP A 15 4.387 -7.881 0.322 1.00 0.00 H new ATOM 0 HA ASP A 15 6.873 -9.366 0.355 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.203 -9.381 2.228 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.025 -10.115 1.159 1.00 0.00 H new ATOM 247 N HIS A 16 4.946 -9.758 -2.100 1.00 0.00 N ATOM 248 CA HIS A 16 4.685 -10.516 -3.322 1.00 0.00 C ATOM 249 C HIS A 16 5.417 -9.928 -4.527 1.00 0.00 C ATOM 250 O HIS A 16 5.405 -10.511 -5.611 1.00 0.00 O ATOM 251 CB HIS A 16 3.181 -10.564 -3.607 1.00 0.00 C ATOM 252 CG HIS A 16 2.393 -11.334 -2.592 1.00 0.00 C ATOM 253 ND1 HIS A 16 1.017 -11.388 -2.574 1.00 0.00 N ATOM 254 CD2 HIS A 16 2.811 -12.093 -1.545 1.00 0.00 C ATOM 255 CE1 HIS A 16 0.650 -12.160 -1.541 1.00 0.00 C ATOM 256 NE2 HIS A 16 1.701 -12.613 -0.886 1.00 0.00 N ATOM 0 H HIS A 16 4.592 -8.801 -2.111 1.00 0.00 H new ATOM 0 HA HIS A 16 5.061 -11.527 -3.161 1.00 0.00 H new ATOM 0 HB2 HIS A 16 2.798 -9.545 -3.653 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.022 -11.009 -4.589 1.00 0.00 H new ATOM 0 HD2 HIS A 16 3.841 -12.265 -1.268 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -0.374 -12.382 -1.279 1.00 0.00 H new ATOM 0 HE2 HIS A 16 1.701 -13.219 -0.066 1.00 0.00 H new ATOM 264 N ILE A 17 6.055 -8.777 -4.335 1.00 0.00 N ATOM 265 CA ILE A 17 6.783 -8.126 -5.419 1.00 0.00 C ATOM 266 C ILE A 17 8.292 -8.268 -5.241 1.00 0.00 C ATOM 267 O ILE A 17 8.774 -8.528 -4.139 1.00 0.00 O ATOM 268 CB ILE A 17 6.426 -6.629 -5.522 1.00 0.00 C ATOM 269 CG1 ILE A 17 6.786 -5.903 -4.222 1.00 0.00 C ATOM 270 CG2 ILE A 17 4.947 -6.462 -5.846 1.00 0.00 C ATOM 271 CD1 ILE A 17 6.642 -4.398 -4.305 1.00 0.00 C ATOM 0 H ILE A 17 6.083 -8.279 -3.445 1.00 0.00 H new ATOM 0 HA ILE A 17 6.483 -8.627 -6.339 1.00 0.00 H new ATOM 0 HB ILE A 17 7.006 -6.184 -6.330 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.150 -6.276 -3.420 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.814 -6.146 -3.953 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.707 -5.401 -5.916 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.726 -6.948 -6.796 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.348 -6.918 -5.058 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.914 -3.953 -3.348 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.299 -4.012 -5.084 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.609 -4.144 -4.543 1.00 0.00 H new ATOM 283 N THR A 18 9.030 -8.097 -6.334 1.00 0.00 N ATOM 284 CA THR A 18 10.484 -8.206 -6.302 1.00 0.00 C ATOM 285 C THR A 18 11.131 -6.867 -5.970 1.00 0.00 C ATOM 286 O THR A 18 10.465 -5.832 -5.951 1.00 0.00 O ATOM 287 CB THR A 18 11.041 -8.711 -7.645 1.00 0.00 C ATOM 288 OG1 THR A 18 10.567 -7.886 -8.715 1.00 0.00 O ATOM 289 CG2 THR A 18 10.634 -10.155 -7.893 1.00 0.00 C ATOM 0 H THR A 18 8.644 -7.882 -7.253 1.00 0.00 H new ATOM 0 HA THR A 18 10.727 -8.927 -5.522 1.00 0.00 H new ATOM 0 HB THR A 18 12.129 -8.660 -7.602 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.793 -8.302 -9.573 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.040 -10.488 -8.848 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.023 -10.785 -7.093 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.547 -10.228 -7.915 1.00 0.00 H new ATOM 297 N GLU A 19 12.435 -6.897 -5.710 1.00 0.00 N ATOM 298 CA GLU A 19 13.179 -5.686 -5.379 1.00 0.00 C ATOM 299 C GLU A 19 13.280 -4.757 -6.586 1.00 0.00 C ATOM 300 O GLU A 19 13.245 -3.534 -6.442 1.00 0.00 O ATOM 301 CB GLU A 19 14.579 -6.046 -4.876 1.00 0.00 C ATOM 302 CG GLU A 19 15.353 -6.948 -5.824 1.00 0.00 C ATOM 303 CD GLU A 19 16.685 -7.389 -5.251 1.00 0.00 C ATOM 304 OE1 GLU A 19 16.718 -8.425 -4.553 1.00 0.00 O ATOM 305 OE2 GLU A 19 17.696 -6.699 -5.499 1.00 0.00 O ATOM 0 H GLU A 19 12.998 -7.747 -5.722 1.00 0.00 H new ATOM 0 HA GLU A 19 12.639 -5.163 -4.590 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.146 -5.129 -4.717 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.492 -6.539 -3.908 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.752 -7.827 -6.055 1.00 0.00 H new ATOM 0 HG3 GLU A 19 15.522 -6.422 -6.764 1.00 0.00 H new ATOM 312 N GLU A 20 13.402 -5.344 -7.772 1.00 0.00 N ATOM 313 CA GLU A 20 13.511 -4.566 -9.003 1.00 0.00 C ATOM 314 C GLU A 20 12.223 -3.795 -9.281 1.00 0.00 C ATOM 315 O GLU A 20 12.260 -2.610 -9.611 1.00 0.00 O ATOM 316 CB GLU A 20 13.844 -5.481 -10.184 1.00 0.00 C ATOM 317 CG GLU A 20 12.874 -6.637 -10.360 1.00 0.00 C ATOM 318 CD GLU A 20 13.255 -7.546 -11.511 1.00 0.00 C ATOM 319 OE1 GLU A 20 14.042 -8.490 -11.286 1.00 0.00 O ATOM 320 OE2 GLU A 20 12.769 -7.314 -12.638 1.00 0.00 O ATOM 0 H GLU A 20 13.428 -6.355 -7.908 1.00 0.00 H new ATOM 0 HA GLU A 20 14.319 -3.845 -8.875 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.857 -4.888 -11.098 1.00 0.00 H new ATOM 0 HB3 GLU A 20 14.849 -5.880 -10.049 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.837 -7.219 -9.439 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.872 -6.243 -10.529 1.00 0.00 H new ATOM 327 N GLU A 21 11.086 -4.471 -9.143 1.00 0.00 N ATOM 328 CA GLU A 21 9.791 -3.841 -9.376 1.00 0.00 C ATOM 329 C GLU A 21 9.435 -2.897 -8.235 1.00 0.00 C ATOM 330 O GLU A 21 8.716 -1.917 -8.426 1.00 0.00 O ATOM 331 CB GLU A 21 8.701 -4.903 -9.535 1.00 0.00 C ATOM 332 CG GLU A 21 8.842 -5.739 -10.797 1.00 0.00 C ATOM 333 CD GLU A 21 8.718 -4.911 -12.061 1.00 0.00 C ATOM 334 OE1 GLU A 21 7.576 -4.584 -12.448 1.00 0.00 O ATOM 335 OE2 GLU A 21 9.762 -4.590 -12.665 1.00 0.00 O ATOM 0 H GLU A 21 11.035 -5.453 -8.872 1.00 0.00 H new ATOM 0 HA GLU A 21 9.858 -3.262 -10.297 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.720 -5.564 -8.668 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.727 -4.413 -9.541 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.809 -6.241 -10.789 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.079 -6.517 -10.800 1.00 0.00 H new ATOM 342 N LEU A 22 9.944 -3.204 -7.047 1.00 0.00 N ATOM 343 CA LEU A 22 9.688 -2.390 -5.865 1.00 0.00 C ATOM 344 C LEU A 22 10.107 -0.943 -6.102 1.00 0.00 C ATOM 345 O LEU A 22 9.413 -0.010 -5.700 1.00 0.00 O ATOM 346 CB LEU A 22 10.438 -2.971 -4.659 1.00 0.00 C ATOM 347 CG LEU A 22 10.246 -2.225 -3.335 1.00 0.00 C ATOM 348 CD1 LEU A 22 10.353 -3.188 -2.163 1.00 0.00 C ATOM 349 CD2 LEU A 22 11.272 -1.109 -3.194 1.00 0.00 C ATOM 0 H LEU A 22 10.539 -4.015 -6.877 1.00 0.00 H new ATOM 0 HA LEU A 22 8.618 -2.404 -5.660 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.122 -4.005 -4.521 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.503 -2.992 -4.892 1.00 0.00 H new ATOM 0 HG LEU A 22 9.250 -1.782 -3.334 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.214 -2.642 -1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.585 -3.956 -2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.337 -3.657 -2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.119 -0.591 -2.247 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.276 -1.533 -3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.157 -0.403 -4.016 1.00 0.00 H new ATOM 361 N LYS A 23 11.246 -0.766 -6.764 1.00 0.00 N ATOM 362 CA LYS A 23 11.769 0.564 -7.053 1.00 0.00 C ATOM 363 C LYS A 23 10.780 1.384 -7.880 1.00 0.00 C ATOM 364 O LYS A 23 10.742 2.610 -7.778 1.00 0.00 O ATOM 365 CB LYS A 23 13.104 0.456 -7.793 1.00 0.00 C ATOM 366 CG LYS A 23 14.170 -0.299 -7.014 1.00 0.00 C ATOM 367 CD LYS A 23 15.501 -0.303 -7.748 1.00 0.00 C ATOM 368 CE LYS A 23 16.558 -1.087 -6.987 1.00 0.00 C ATOM 369 NZ LYS A 23 17.869 -1.082 -7.695 1.00 0.00 N ATOM 0 H LYS A 23 11.826 -1.530 -7.111 1.00 0.00 H new ATOM 0 HA LYS A 23 11.922 1.076 -6.103 1.00 0.00 H new ATOM 0 HB2 LYS A 23 12.941 -0.043 -8.748 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.469 1.459 -8.015 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.296 0.158 -6.032 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.842 -1.325 -6.848 1.00 0.00 H new ATOM 0 HD2 LYS A 23 15.369 -0.737 -8.739 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.841 0.723 -7.891 1.00 0.00 H new ATOM 0 HE2 LYS A 23 16.681 -0.660 -5.992 1.00 0.00 H new ATOM 0 HE3 LYS A 23 16.221 -2.115 -6.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 18.563 -1.627 -7.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 17.758 -1.513 -8.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 18.203 -0.103 -7.800 1.00 0.00 H new ATOM 383 N ARG A 24 9.981 0.703 -8.697 1.00 0.00 N ATOM 384 CA ARG A 24 8.997 1.376 -9.538 1.00 0.00 C ATOM 385 C ARG A 24 7.826 1.904 -8.713 1.00 0.00 C ATOM 386 O ARG A 24 7.360 3.022 -8.932 1.00 0.00 O ATOM 387 CB ARG A 24 8.479 0.431 -10.627 1.00 0.00 C ATOM 388 CG ARG A 24 9.410 0.303 -11.822 1.00 0.00 C ATOM 389 CD ARG A 24 10.602 -0.590 -11.520 1.00 0.00 C ATOM 390 NE ARG A 24 11.526 -0.662 -12.648 1.00 0.00 N ATOM 391 CZ ARG A 24 12.159 -1.772 -13.016 1.00 0.00 C ATOM 392 NH1 ARG A 24 11.974 -2.901 -12.344 1.00 0.00 N ATOM 393 NH2 ARG A 24 12.980 -1.752 -14.057 1.00 0.00 N ATOM 0 H ARG A 24 9.996 -0.312 -8.794 1.00 0.00 H new ATOM 0 HA ARG A 24 9.496 2.224 -10.008 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.322 -0.557 -10.193 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.508 0.786 -10.971 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.858 -0.103 -12.670 1.00 0.00 H new ATOM 0 HG3 ARG A 24 9.763 1.292 -12.115 1.00 0.00 H new ATOM 0 HD2 ARG A 24 11.127 -0.211 -10.644 1.00 0.00 H new ATOM 0 HD3 ARG A 24 10.252 -1.592 -11.273 1.00 0.00 H new ATOM 0 HE ARG A 24 11.696 0.188 -13.185 1.00 0.00 H new ATOM 0 HH11 ARG A 24 11.344 -2.920 -11.542 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.461 -3.750 -12.630 1.00 0.00 H new ATOM 0 HH21 ARG A 24 13.126 -0.885 -14.575 1.00 0.00 H new ATOM 0 HH22 ARG A 24 13.466 -2.603 -14.340 1.00 0.00 H new ATOM 407 N PHE A 25 7.354 1.096 -7.767 1.00 0.00 N ATOM 408 CA PHE A 25 6.230 1.487 -6.919 1.00 0.00 C ATOM 409 C PHE A 25 6.546 2.754 -6.127 1.00 0.00 C ATOM 410 O PHE A 25 5.775 3.714 -6.141 1.00 0.00 O ATOM 411 CB PHE A 25 5.868 0.351 -5.959 1.00 0.00 C ATOM 412 CG PHE A 25 4.614 0.609 -5.169 1.00 0.00 C ATOM 413 CD1 PHE A 25 3.387 0.706 -5.805 1.00 0.00 C ATOM 414 CD2 PHE A 25 4.664 0.756 -3.792 1.00 0.00 C ATOM 415 CE1 PHE A 25 2.234 0.946 -5.083 1.00 0.00 C ATOM 416 CE2 PHE A 25 3.513 0.997 -3.064 1.00 0.00 C ATOM 417 CZ PHE A 25 2.296 1.091 -3.711 1.00 0.00 C ATOM 0 H PHE A 25 7.731 0.169 -7.568 1.00 0.00 H new ATOM 0 HA PHE A 25 5.380 1.694 -7.569 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.746 -0.570 -6.529 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.696 0.192 -5.269 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.331 0.593 -6.878 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.613 0.682 -3.281 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.284 1.020 -5.591 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.566 1.112 -1.991 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.395 1.277 -3.145 1.00 0.00 H new ATOM 427 N LYS A 26 7.682 2.748 -5.439 1.00 0.00 N ATOM 428 CA LYS A 26 8.101 3.892 -4.634 1.00 0.00 C ATOM 429 C LYS A 26 8.277 5.142 -5.490 1.00 0.00 C ATOM 430 O LYS A 26 7.882 6.238 -5.093 1.00 0.00 O ATOM 431 CB LYS A 26 9.412 3.579 -3.905 1.00 0.00 C ATOM 432 CG LYS A 26 9.237 2.733 -2.652 1.00 0.00 C ATOM 433 CD LYS A 26 8.639 1.371 -2.966 1.00 0.00 C ATOM 434 CE LYS A 26 8.620 0.474 -1.740 1.00 0.00 C ATOM 435 NZ LYS A 26 8.028 1.158 -0.558 1.00 0.00 N ATOM 0 H LYS A 26 8.332 1.962 -5.422 1.00 0.00 H new ATOM 0 HA LYS A 26 7.316 4.085 -3.903 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.082 3.060 -4.591 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.897 4.516 -3.633 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.203 2.602 -2.165 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.593 3.258 -1.946 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.624 1.496 -3.342 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.215 0.894 -3.758 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.050 -0.429 -1.960 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.637 0.159 -1.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.003 0.500 0.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.606 1.986 -0.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.061 1.466 -0.784 1.00 0.00 H new ATOM 449 N TYR A 27 8.870 4.969 -6.666 1.00 0.00 N ATOM 450 CA TYR A 27 9.113 6.083 -7.575 1.00 0.00 C ATOM 451 C TYR A 27 7.813 6.622 -8.170 1.00 0.00 C ATOM 452 O TYR A 27 7.729 7.797 -8.528 1.00 0.00 O ATOM 453 CB TYR A 27 10.054 5.648 -8.703 1.00 0.00 C ATOM 454 CG TYR A 27 10.436 6.767 -9.646 1.00 0.00 C ATOM 455 CD1 TYR A 27 11.521 7.590 -9.372 1.00 0.00 C ATOM 456 CD2 TYR A 27 9.713 7.001 -10.809 1.00 0.00 C ATOM 457 CE1 TYR A 27 11.873 8.615 -10.230 1.00 0.00 C ATOM 458 CE2 TYR A 27 10.059 8.021 -11.673 1.00 0.00 C ATOM 459 CZ TYR A 27 11.139 8.827 -11.379 1.00 0.00 C ATOM 460 OH TYR A 27 11.486 9.846 -12.235 1.00 0.00 O ATOM 0 H TYR A 27 9.192 4.065 -7.013 1.00 0.00 H new ATOM 0 HA TYR A 27 9.577 6.883 -6.997 1.00 0.00 H new ATOM 0 HB2 TYR A 27 10.960 5.229 -8.266 1.00 0.00 H new ATOM 0 HB3 TYR A 27 9.577 4.851 -9.274 1.00 0.00 H new ATOM 0 HD1 TYR A 27 12.099 7.426 -8.474 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.865 6.374 -11.042 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.719 9.247 -10.002 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.487 8.187 -12.574 1.00 0.00 H new ATOM 0 HH TYR A 27 10.869 9.858 -12.996 1.00 0.00 H new ATOM 470 N PHE A 28 6.802 5.764 -8.271 1.00 0.00 N ATOM 471 CA PHE A 28 5.522 6.168 -8.845 1.00 0.00 C ATOM 472 C PHE A 28 4.665 6.937 -7.842 1.00 0.00 C ATOM 473 O PHE A 28 4.262 8.070 -8.103 1.00 0.00 O ATOM 474 CB PHE A 28 4.759 4.942 -9.346 1.00 0.00 C ATOM 475 CG PHE A 28 3.844 5.239 -10.500 1.00 0.00 C ATOM 476 CD1 PHE A 28 2.566 5.730 -10.285 1.00 0.00 C ATOM 477 CD2 PHE A 28 4.265 5.027 -11.803 1.00 0.00 C ATOM 478 CE1 PHE A 28 1.726 6.003 -11.348 1.00 0.00 C ATOM 479 CE2 PHE A 28 3.431 5.298 -12.869 1.00 0.00 C ATOM 480 CZ PHE A 28 2.159 5.788 -12.642 1.00 0.00 C ATOM 0 H PHE A 28 6.843 4.792 -7.965 1.00 0.00 H new ATOM 0 HA PHE A 28 5.735 6.834 -9.681 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.474 4.176 -9.647 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.174 4.527 -8.525 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.223 5.901 -9.275 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.258 4.645 -11.987 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.732 6.384 -11.167 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.772 5.127 -13.879 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.505 6.002 -13.474 1.00 0.00 H new ATOM 490 N ALA A 29 4.391 6.320 -6.696 1.00 0.00 N ATOM 491 CA ALA A 29 3.573 6.956 -5.668 1.00 0.00 C ATOM 492 C ALA A 29 4.328 8.080 -4.965 1.00 0.00 C ATOM 493 O ALA A 29 3.839 9.206 -4.875 1.00 0.00 O ATOM 494 CB ALA A 29 3.105 5.926 -4.649 1.00 0.00 C ATOM 0 H ALA A 29 4.721 5.385 -6.457 1.00 0.00 H new ATOM 0 HA ALA A 29 2.705 7.392 -6.162 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.496 6.416 -3.889 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.512 5.161 -5.151 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.971 5.462 -4.176 1.00 0.00 H new ATOM 500 N LEU A 30 5.521 7.768 -4.469 1.00 0.00 N ATOM 501 CA LEU A 30 6.336 8.752 -3.767 1.00 0.00 C ATOM 502 C LEU A 30 7.394 9.351 -4.690 1.00 0.00 C ATOM 503 O LEU A 30 8.494 8.812 -4.822 1.00 0.00 O ATOM 504 CB LEU A 30 7.000 8.120 -2.538 1.00 0.00 C ATOM 505 CG LEU A 30 6.056 7.375 -1.583 1.00 0.00 C ATOM 506 CD1 LEU A 30 4.767 8.154 -1.360 1.00 0.00 C ATOM 507 CD2 LEU A 30 5.754 5.977 -2.107 1.00 0.00 C ATOM 0 H LEU A 30 5.944 6.843 -4.540 1.00 0.00 H new ATOM 0 HA LEU A 30 5.679 9.557 -3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.766 7.424 -2.879 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.509 8.905 -1.978 1.00 0.00 H new ATOM 0 HG LEU A 30 6.561 7.282 -0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.120 7.600 -0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.000 9.127 -0.928 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.257 8.293 -2.313 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.084 5.466 -1.416 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.279 6.050 -3.086 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.683 5.413 -2.195 1.00 0.00 H new ATOM 519 N THR A 31 7.054 10.467 -5.327 1.00 0.00 N ATOM 520 CA THR A 31 7.974 11.134 -6.241 1.00 0.00 C ATOM 521 C THR A 31 8.834 12.169 -5.521 1.00 0.00 C ATOM 522 O THR A 31 10.058 12.181 -5.665 1.00 0.00 O ATOM 523 CB THR A 31 7.213 11.829 -7.385 1.00 0.00 C ATOM 524 OG1 THR A 31 6.350 12.843 -6.853 1.00 0.00 O ATOM 525 CG2 THR A 31 6.388 10.825 -8.177 1.00 0.00 C ATOM 0 H THR A 31 6.150 10.928 -5.227 1.00 0.00 H new ATOM 0 HA THR A 31 8.622 10.359 -6.651 1.00 0.00 H new ATOM 0 HB THR A 31 7.944 12.284 -8.053 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.870 13.282 -7.586 1.00 0.00 H new ATOM 0 HG21 THR A 31 5.860 11.340 -8.979 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.047 10.069 -8.604 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.666 10.346 -7.516 1.00 0.00 H new ATOM 533 N GLU A 32 8.190 13.037 -4.747 1.00 0.00 N ATOM 534 CA GLU A 32 8.898 14.083 -4.016 1.00 0.00 C ATOM 535 C GLU A 32 9.192 13.668 -2.577 1.00 0.00 C ATOM 536 O GLU A 32 9.803 14.424 -1.822 1.00 0.00 O ATOM 537 CB GLU A 32 8.085 15.378 -4.025 1.00 0.00 C ATOM 538 CG GLU A 32 6.727 15.248 -3.356 1.00 0.00 C ATOM 539 CD GLU A 32 5.942 16.545 -3.375 1.00 0.00 C ATOM 540 OE1 GLU A 32 6.110 17.354 -2.437 1.00 0.00 O ATOM 541 OE2 GLU A 32 5.162 16.754 -4.327 1.00 0.00 O ATOM 0 H GLU A 32 7.179 13.037 -4.610 1.00 0.00 H new ATOM 0 HA GLU A 32 9.851 14.247 -4.520 1.00 0.00 H new ATOM 0 HB2 GLU A 32 8.655 16.159 -3.522 1.00 0.00 H new ATOM 0 HB3 GLU A 32 7.943 15.701 -5.056 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.151 14.471 -3.859 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.864 14.925 -2.324 1.00 0.00 H new ATOM 548 N PHE A 33 8.759 12.469 -2.197 1.00 0.00 N ATOM 549 CA PHE A 33 8.981 11.984 -0.839 1.00 0.00 C ATOM 550 C PHE A 33 10.270 11.169 -0.746 1.00 0.00 C ATOM 551 O PHE A 33 10.871 11.070 0.324 1.00 0.00 O ATOM 552 CB PHE A 33 7.790 11.145 -0.376 1.00 0.00 C ATOM 553 CG PHE A 33 6.494 11.907 -0.349 1.00 0.00 C ATOM 554 CD1 PHE A 33 6.295 12.928 0.568 1.00 0.00 C ATOM 555 CD2 PHE A 33 5.475 11.602 -1.238 1.00 0.00 C ATOM 556 CE1 PHE A 33 5.107 13.632 0.595 1.00 0.00 C ATOM 557 CE2 PHE A 33 4.283 12.303 -1.214 1.00 0.00 C ATOM 558 CZ PHE A 33 4.099 13.319 -0.296 1.00 0.00 C ATOM 0 H PHE A 33 8.257 11.821 -2.804 1.00 0.00 H new ATOM 0 HA PHE A 33 9.082 12.850 -0.184 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.683 10.285 -1.037 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.995 10.757 0.622 1.00 0.00 H new ATOM 0 HD1 PHE A 33 7.078 13.176 1.269 1.00 0.00 H new ATOM 0 HD2 PHE A 33 5.613 10.808 -1.957 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.966 14.427 1.312 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.497 12.056 -1.912 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.169 13.867 -0.275 1.00 0.00 H new ATOM 568 N GLN A 34 10.690 10.598 -1.874 1.00 0.00 N ATOM 569 CA GLN A 34 11.917 9.803 -1.934 1.00 0.00 C ATOM 570 C GLN A 34 12.062 8.888 -0.717 1.00 0.00 C ATOM 571 O GLN A 34 12.940 9.097 0.121 1.00 0.00 O ATOM 572 CB GLN A 34 13.134 10.724 -2.032 1.00 0.00 C ATOM 573 CG GLN A 34 13.067 11.704 -3.191 1.00 0.00 C ATOM 574 CD GLN A 34 14.261 12.638 -3.231 1.00 0.00 C ATOM 575 OE1 GLN A 34 14.844 12.963 -2.196 1.00 0.00 O ATOM 576 NE2 GLN A 34 14.631 13.077 -4.429 1.00 0.00 N ATOM 0 H GLN A 34 10.196 10.672 -2.763 1.00 0.00 H new ATOM 0 HA GLN A 34 11.857 9.174 -2.822 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.232 11.282 -1.101 1.00 0.00 H new ATOM 0 HB3 GLN A 34 14.032 10.115 -2.134 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.011 11.150 -4.128 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.152 12.292 -3.113 1.00 0.00 H new ATOM 0 HE21 GLN A 34 14.119 12.782 -5.261 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.427 13.709 -4.517 1.00 0.00 H new ATOM 585 N ILE A 35 11.195 7.882 -0.614 1.00 0.00 N ATOM 586 CA ILE A 35 11.249 6.949 0.508 1.00 0.00 C ATOM 587 C ILE A 35 12.620 6.279 0.599 1.00 0.00 C ATOM 588 O ILE A 35 13.199 5.882 -0.413 1.00 0.00 O ATOM 589 CB ILE A 35 10.138 5.879 0.413 1.00 0.00 C ATOM 590 CG1 ILE A 35 8.786 6.498 0.787 1.00 0.00 C ATOM 591 CG2 ILE A 35 10.453 4.690 1.313 1.00 0.00 C ATOM 592 CD1 ILE A 35 7.627 5.521 0.774 1.00 0.00 C ATOM 0 H ILE A 35 10.453 7.694 -1.288 1.00 0.00 H new ATOM 0 HA ILE A 35 11.083 7.529 1.416 1.00 0.00 H new ATOM 0 HB ILE A 35 10.088 5.517 -0.614 1.00 0.00 H new ATOM 0 HG12 ILE A 35 8.864 6.938 1.781 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.568 7.311 0.095 1.00 0.00 H new ATOM 0 HG21 ILE A 35 9.657 3.950 1.230 1.00 0.00 H new ATOM 0 HG22 ILE A 35 11.399 4.242 1.007 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.529 5.026 2.347 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.710 6.041 1.050 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.518 5.099 -0.225 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.819 4.720 1.488 1.00 0.00 H new ATOM 604 N ALA A 36 13.130 6.161 1.824 1.00 0.00 N ATOM 605 CA ALA A 36 14.440 5.559 2.070 1.00 0.00 C ATOM 606 C ALA A 36 14.506 4.109 1.592 1.00 0.00 C ATOM 607 O ALA A 36 13.643 3.294 1.919 1.00 0.00 O ATOM 608 CB ALA A 36 14.776 5.640 3.550 1.00 0.00 C ATOM 0 H ALA A 36 12.652 6.477 2.668 1.00 0.00 H new ATOM 0 HA ALA A 36 15.175 6.123 1.496 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.753 5.190 3.726 1.00 0.00 H new ATOM 0 HB2 ALA A 36 14.796 6.684 3.862 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.020 5.104 4.124 1.00 0.00 H new ATOM 614 N ARG A 37 15.540 3.802 0.813 1.00 0.00 N ATOM 615 CA ARG A 37 15.743 2.455 0.286 1.00 0.00 C ATOM 616 C ARG A 37 16.082 1.463 1.400 1.00 0.00 C ATOM 617 O ARG A 37 15.778 0.275 1.298 1.00 0.00 O ATOM 618 CB ARG A 37 16.868 2.454 -0.750 1.00 0.00 C ATOM 619 CG ARG A 37 18.224 2.828 -0.171 1.00 0.00 C ATOM 620 CD ARG A 37 19.349 2.537 -1.149 1.00 0.00 C ATOM 621 NE ARG A 37 19.402 1.125 -1.520 1.00 0.00 N ATOM 622 CZ ARG A 37 19.963 0.675 -2.638 1.00 0.00 C ATOM 623 NH1 ARG A 37 20.510 1.523 -3.499 1.00 0.00 N ATOM 624 NH2 ARG A 37 19.978 -0.625 -2.896 1.00 0.00 N ATOM 0 H ARG A 37 16.255 4.473 0.531 1.00 0.00 H new ATOM 0 HA ARG A 37 14.810 2.144 -0.183 1.00 0.00 H new ATOM 0 HB2 ARG A 37 16.935 1.464 -1.202 1.00 0.00 H new ATOM 0 HB3 ARG A 37 16.617 3.152 -1.548 1.00 0.00 H new ATOM 0 HG2 ARG A 37 18.230 3.887 0.087 1.00 0.00 H new ATOM 0 HG3 ARG A 37 18.391 2.274 0.752 1.00 0.00 H new ATOM 0 HD2 ARG A 37 19.215 3.142 -2.046 1.00 0.00 H new ATOM 0 HD3 ARG A 37 20.300 2.831 -0.705 1.00 0.00 H new ATOM 0 HE ARG A 37 18.984 0.445 -0.884 1.00 0.00 H new ATOM 0 HH11 ARG A 37 20.501 2.524 -3.304 1.00 0.00 H new ATOM 0 HH12 ARG A 37 20.940 1.174 -4.356 1.00 0.00 H new ATOM 0 HH21 ARG A 37 19.559 -1.281 -2.237 1.00 0.00 H new ATOM 0 HH22 ARG A 37 20.409 -0.970 -3.754 1.00 0.00 H new ATOM 638 N SER A 38 16.721 1.955 2.455 1.00 0.00 N ATOM 639 CA SER A 38 17.117 1.104 3.573 1.00 0.00 C ATOM 640 C SER A 38 15.907 0.641 4.382 1.00 0.00 C ATOM 641 O SER A 38 15.846 -0.506 4.825 1.00 0.00 O ATOM 642 CB SER A 38 18.093 1.850 4.482 1.00 0.00 C ATOM 643 OG SER A 38 17.504 3.030 5.001 1.00 0.00 O ATOM 0 H SER A 38 16.976 2.937 2.561 1.00 0.00 H new ATOM 0 HA SER A 38 17.605 0.221 3.161 1.00 0.00 H new ATOM 0 HB2 SER A 38 18.399 1.201 5.303 1.00 0.00 H new ATOM 0 HB3 SER A 38 18.994 2.104 3.923 1.00 0.00 H new ATOM 0 HG SER A 38 18.147 3.489 5.581 1.00 0.00 H new ATOM 649 N THR A 39 14.949 1.541 4.570 1.00 0.00 N ATOM 650 CA THR A 39 13.742 1.237 5.335 1.00 0.00 C ATOM 651 C THR A 39 12.857 0.213 4.625 1.00 0.00 C ATOM 652 O THR A 39 11.978 -0.390 5.244 1.00 0.00 O ATOM 653 CB THR A 39 12.916 2.510 5.602 1.00 0.00 C ATOM 654 OG1 THR A 39 12.467 3.069 4.363 1.00 0.00 O ATOM 655 CG2 THR A 39 13.738 3.541 6.359 1.00 0.00 C ATOM 0 H THR A 39 14.984 2.492 4.202 1.00 0.00 H new ATOM 0 HA THR A 39 14.078 0.814 6.282 1.00 0.00 H new ATOM 0 HB THR A 39 12.055 2.237 6.212 1.00 0.00 H new ATOM 0 HG1 THR A 39 13.164 2.958 3.683 1.00 0.00 H new ATOM 0 HG21 THR A 39 13.133 4.430 6.535 1.00 0.00 H new ATOM 0 HG22 THR A 39 14.056 3.123 7.314 1.00 0.00 H new ATOM 0 HG23 THR A 39 14.615 3.810 5.771 1.00 0.00 H new ATOM 663 N LEU A 40 13.088 0.029 3.327 1.00 0.00 N ATOM 664 CA LEU A 40 12.306 -0.914 2.524 1.00 0.00 C ATOM 665 C LEU A 40 12.155 -2.269 3.216 1.00 0.00 C ATOM 666 O LEU A 40 11.208 -3.009 2.941 1.00 0.00 O ATOM 667 CB LEU A 40 12.958 -1.105 1.153 1.00 0.00 C ATOM 668 CG LEU A 40 13.043 0.157 0.291 1.00 0.00 C ATOM 669 CD1 LEU A 40 13.776 -0.135 -1.009 1.00 0.00 C ATOM 670 CD2 LEU A 40 11.654 0.709 0.008 1.00 0.00 C ATOM 0 H LEU A 40 13.813 0.522 2.805 1.00 0.00 H new ATOM 0 HA LEU A 40 11.310 -0.489 2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.965 -1.495 1.299 1.00 0.00 H new ATOM 0 HB3 LEU A 40 12.399 -1.863 0.605 1.00 0.00 H new ATOM 0 HG LEU A 40 13.605 0.911 0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 40 13.827 0.773 -1.610 1.00 0.00 H new ATOM 0 HD12 LEU A 40 14.786 -0.481 -0.788 1.00 0.00 H new ATOM 0 HD13 LEU A 40 13.241 -0.907 -1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.737 1.606 -0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 40 11.066 -0.040 -0.522 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.163 0.958 0.949 1.00 0.00 H new ATOM 682 N ASP A 41 13.085 -2.592 4.111 1.00 0.00 N ATOM 683 CA ASP A 41 13.045 -3.862 4.833 1.00 0.00 C ATOM 684 C ASP A 41 11.716 -4.041 5.569 1.00 0.00 C ATOM 685 O ASP A 41 11.009 -5.027 5.362 1.00 0.00 O ATOM 686 CB ASP A 41 14.205 -3.943 5.827 1.00 0.00 C ATOM 687 CG ASP A 41 14.242 -5.267 6.562 1.00 0.00 C ATOM 688 OD1 ASP A 41 14.877 -6.212 6.048 1.00 0.00 O ATOM 689 OD2 ASP A 41 13.638 -5.360 7.651 1.00 0.00 O ATOM 0 H ASP A 41 13.874 -1.993 4.354 1.00 0.00 H new ATOM 0 HA ASP A 41 13.140 -4.665 4.102 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.146 -3.798 5.296 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.119 -3.131 6.549 1.00 0.00 H new ATOM 694 N VAL A 42 11.386 -3.081 6.426 1.00 0.00 N ATOM 695 CA VAL A 42 10.145 -3.127 7.194 1.00 0.00 C ATOM 696 C VAL A 42 9.140 -2.109 6.675 1.00 0.00 C ATOM 697 O VAL A 42 8.145 -1.812 7.336 1.00 0.00 O ATOM 698 CB VAL A 42 10.395 -2.838 8.684 1.00 0.00 C ATOM 699 CG1 VAL A 42 11.159 -3.981 9.336 1.00 0.00 C ATOM 700 CG2 VAL A 42 11.142 -1.525 8.847 1.00 0.00 C ATOM 0 H VAL A 42 11.962 -2.259 6.607 1.00 0.00 H new ATOM 0 HA VAL A 42 9.746 -4.135 7.079 1.00 0.00 H new ATOM 0 HB VAL A 42 9.431 -2.751 9.186 1.00 0.00 H new ATOM 0 HG11 VAL A 42 11.324 -3.754 10.389 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.581 -4.901 9.249 1.00 0.00 H new ATOM 0 HG13 VAL A 42 12.120 -4.108 8.837 1.00 0.00 H new ATOM 0 HG21 VAL A 42 11.312 -1.332 9.906 1.00 0.00 H new ATOM 0 HG22 VAL A 42 12.100 -1.585 8.330 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.550 -0.714 8.422 1.00 0.00 H new ATOM 710 N ALA A 43 9.405 -1.580 5.489 1.00 0.00 N ATOM 711 CA ALA A 43 8.533 -0.581 4.892 1.00 0.00 C ATOM 712 C ALA A 43 7.123 -1.093 4.693 1.00 0.00 C ATOM 713 O ALA A 43 6.166 -0.330 4.755 1.00 0.00 O ATOM 714 CB ALA A 43 9.094 -0.083 3.574 1.00 0.00 C ATOM 0 H ALA A 43 10.216 -1.826 4.922 1.00 0.00 H new ATOM 0 HA ALA A 43 8.488 0.250 5.596 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.421 0.663 3.151 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.073 0.365 3.742 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.191 -0.919 2.881 1.00 0.00 H new ATOM 720 N ASP A 44 6.981 -2.380 4.471 1.00 0.00 N ATOM 721 CA ASP A 44 5.660 -2.933 4.235 1.00 0.00 C ATOM 722 C ASP A 44 4.724 -2.650 5.407 1.00 0.00 C ATOM 723 O ASP A 44 3.639 -2.100 5.216 1.00 0.00 O ATOM 724 CB ASP A 44 5.752 -4.440 3.992 1.00 0.00 C ATOM 725 CG ASP A 44 6.475 -5.169 5.109 1.00 0.00 C ATOM 726 OD1 ASP A 44 7.721 -5.230 5.070 1.00 0.00 O ATOM 727 OD2 ASP A 44 5.792 -5.680 6.023 1.00 0.00 O ATOM 0 H ASP A 44 7.745 -3.055 4.448 1.00 0.00 H new ATOM 0 HA ASP A 44 5.249 -2.451 3.348 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.747 -4.849 3.887 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.270 -4.621 3.050 1.00 0.00 H new ATOM 732 N ARG A 45 5.136 -3.022 6.613 1.00 0.00 N ATOM 733 CA ARG A 45 4.299 -2.798 7.789 1.00 0.00 C ATOM 734 C ARG A 45 4.374 -1.375 8.370 1.00 0.00 C ATOM 735 O ARG A 45 3.371 -0.665 8.421 1.00 0.00 O ATOM 736 CB ARG A 45 4.632 -3.824 8.878 1.00 0.00 C ATOM 737 CG ARG A 45 6.117 -3.955 9.181 1.00 0.00 C ATOM 738 CD ARG A 45 6.391 -5.120 10.116 1.00 0.00 C ATOM 739 NE ARG A 45 5.761 -4.935 11.420 1.00 0.00 N ATOM 740 CZ ARG A 45 5.896 -5.786 12.432 1.00 0.00 C ATOM 741 NH1 ARG A 45 6.631 -6.880 12.287 1.00 0.00 N ATOM 742 NH2 ARG A 45 5.293 -5.545 13.587 1.00 0.00 N ATOM 0 H ARG A 45 6.031 -3.474 6.803 1.00 0.00 H new ATOM 0 HA ARG A 45 3.273 -2.923 7.443 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.109 -3.547 9.794 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.248 -4.798 8.573 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.669 -4.095 8.251 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.481 -3.032 9.631 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.024 -6.042 9.664 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.467 -5.235 10.246 1.00 0.00 H new ATOM 0 HE ARG A 45 5.185 -4.106 11.562 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.094 -7.069 11.398 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.734 -7.532 13.065 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.724 -4.706 13.700 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.397 -6.199 14.363 1.00 0.00 H new ATOM 756 N THR A 46 5.571 -0.973 8.808 1.00 0.00 N ATOM 757 CA THR A 46 5.766 0.325 9.471 1.00 0.00 C ATOM 758 C THR A 46 5.940 1.560 8.575 1.00 0.00 C ATOM 759 O THR A 46 5.177 2.519 8.684 1.00 0.00 O ATOM 760 CB THR A 46 6.976 0.267 10.423 1.00 0.00 C ATOM 761 OG1 THR A 46 8.165 -0.050 9.690 1.00 0.00 O ATOM 762 CG2 THR A 46 6.760 -0.767 11.517 1.00 0.00 C ATOM 0 H THR A 46 6.422 -1.527 8.716 1.00 0.00 H new ATOM 0 HA THR A 46 4.817 0.469 9.987 1.00 0.00 H new ATOM 0 HB THR A 46 7.086 1.246 10.888 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.931 -0.584 8.902 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.629 -0.788 12.175 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.873 -0.506 12.095 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.623 -1.750 11.067 1.00 0.00 H new ATOM 770 N GLU A 47 6.936 1.533 7.691 1.00 0.00 N ATOM 771 CA GLU A 47 7.272 2.709 6.875 1.00 0.00 C ATOM 772 C GLU A 47 6.202 3.127 5.868 1.00 0.00 C ATOM 773 O GLU A 47 5.697 4.245 5.939 1.00 0.00 O ATOM 774 CB GLU A 47 8.587 2.464 6.142 1.00 0.00 C ATOM 775 CG GLU A 47 9.572 3.616 6.253 1.00 0.00 C ATOM 776 CD GLU A 47 9.046 4.890 5.622 1.00 0.00 C ATOM 777 OE1 GLU A 47 8.381 5.674 6.331 1.00 0.00 O ATOM 778 OE2 GLU A 47 9.299 5.104 4.417 1.00 0.00 O ATOM 0 H GLU A 47 7.524 0.717 7.519 1.00 0.00 H new ATOM 0 HA GLU A 47 7.353 3.537 7.580 1.00 0.00 H new ATOM 0 HB2 GLU A 47 9.051 1.561 6.539 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.377 2.278 5.089 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.795 3.800 7.304 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.510 3.336 5.773 1.00 0.00 H new ATOM 785 N LEU A 48 5.855 2.249 4.941 1.00 0.00 N ATOM 786 CA LEU A 48 4.864 2.581 3.921 1.00 0.00 C ATOM 787 C LEU A 48 3.527 2.965 4.532 1.00 0.00 C ATOM 788 O LEU A 48 2.873 3.895 4.065 1.00 0.00 O ATOM 789 CB LEU A 48 4.668 1.420 2.944 1.00 0.00 C ATOM 790 CG LEU A 48 5.701 1.337 1.818 1.00 0.00 C ATOM 791 CD1 LEU A 48 5.472 0.089 0.981 1.00 0.00 C ATOM 792 CD2 LEU A 48 5.638 2.585 0.947 1.00 0.00 C ATOM 0 H LEU A 48 6.239 1.307 4.870 1.00 0.00 H new ATOM 0 HA LEU A 48 5.251 3.443 3.378 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.690 0.486 3.505 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.676 1.503 2.500 1.00 0.00 H new ATOM 0 HG LEU A 48 6.695 1.277 2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.214 0.044 0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.564 -0.795 1.613 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.474 0.121 0.545 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.379 2.511 0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.643 2.674 0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.847 3.465 1.556 1.00 0.00 H new ATOM 804 N ALA A 49 3.129 2.257 5.576 1.00 0.00 N ATOM 805 CA ALA A 49 1.851 2.528 6.225 1.00 0.00 C ATOM 806 C ALA A 49 1.781 3.946 6.787 1.00 0.00 C ATOM 807 O ALA A 49 0.880 4.712 6.447 1.00 0.00 O ATOM 808 CB ALA A 49 1.597 1.513 7.328 1.00 0.00 C ATOM 0 H ALA A 49 3.665 1.496 5.992 1.00 0.00 H new ATOM 0 HA ALA A 49 1.074 2.440 5.465 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.640 1.726 7.805 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.575 0.510 6.902 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.394 1.574 8.069 1.00 0.00 H new ATOM 814 N ASP A 50 2.733 4.292 7.647 1.00 0.00 N ATOM 815 CA ASP A 50 2.771 5.616 8.266 1.00 0.00 C ATOM 816 C ASP A 50 3.117 6.723 7.268 1.00 0.00 C ATOM 817 O ASP A 50 2.617 7.843 7.374 1.00 0.00 O ATOM 818 CB ASP A 50 3.775 5.630 9.421 1.00 0.00 C ATOM 819 CG ASP A 50 3.334 4.759 10.579 1.00 0.00 C ATOM 820 OD1 ASP A 50 3.627 3.544 10.554 1.00 0.00 O ATOM 821 OD2 ASP A 50 2.695 5.289 11.511 1.00 0.00 O ATOM 0 H ASP A 50 3.492 3.673 7.933 1.00 0.00 H new ATOM 0 HA ASP A 50 1.768 5.819 8.642 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.745 5.287 9.060 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.909 6.654 9.770 1.00 0.00 H new ATOM 826 N HIS A 51 3.973 6.407 6.301 1.00 0.00 N ATOM 827 CA HIS A 51 4.418 7.389 5.313 1.00 0.00 C ATOM 828 C HIS A 51 3.267 7.967 4.490 1.00 0.00 C ATOM 829 O HIS A 51 3.056 9.181 4.482 1.00 0.00 O ATOM 830 CB HIS A 51 5.452 6.765 4.377 1.00 0.00 C ATOM 831 CG HIS A 51 6.085 7.751 3.445 1.00 0.00 C ATOM 832 ND1 HIS A 51 7.285 8.381 3.692 1.00 0.00 N ATOM 833 CD2 HIS A 51 5.658 8.217 2.243 1.00 0.00 C ATOM 834 CE1 HIS A 51 7.543 9.192 2.657 1.00 0.00 C ATOM 835 NE2 HIS A 51 6.587 9.129 1.750 1.00 0.00 N ATOM 0 H HIS A 51 4.374 5.477 6.179 1.00 0.00 H new ATOM 0 HA HIS A 51 4.865 8.212 5.871 1.00 0.00 H new ATOM 0 HB2 HIS A 51 6.230 6.289 4.974 1.00 0.00 H new ATOM 0 HB3 HIS A 51 4.974 5.979 3.792 1.00 0.00 H new ATOM 0 HD1 HIS A 51 7.872 8.253 4.516 1.00 0.00 H new ATOM 0 HD2 HIS A 51 4.743 7.926 1.748 1.00 0.00 H new ATOM 0 HE1 HIS A 51 8.420 9.817 2.576 1.00 0.00 H new ATOM 843 N LEU A 52 2.529 7.105 3.797 1.00 0.00 N ATOM 844 CA LEU A 52 1.424 7.557 2.953 1.00 0.00 C ATOM 845 C LEU A 52 0.407 8.389 3.734 1.00 0.00 C ATOM 846 O LEU A 52 -0.209 9.301 3.181 1.00 0.00 O ATOM 847 CB LEU A 52 0.735 6.372 2.269 1.00 0.00 C ATOM 848 CG LEU A 52 0.362 5.198 3.178 1.00 0.00 C ATOM 849 CD1 LEU A 52 -0.986 5.429 3.843 1.00 0.00 C ATOM 850 CD2 LEU A 52 0.349 3.905 2.379 1.00 0.00 C ATOM 0 H LEU A 52 2.673 6.095 3.802 1.00 0.00 H new ATOM 0 HA LEU A 52 1.854 8.201 2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.172 6.734 1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.390 6.002 1.481 1.00 0.00 H new ATOM 0 HG LEU A 52 1.113 5.119 3.964 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.226 4.580 4.483 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.944 6.337 4.445 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.755 5.536 3.078 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.083 3.075 3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.383 3.982 1.575 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.338 3.729 1.955 1.00 0.00 H new ATOM 862 N ILE A 53 0.227 8.073 5.014 1.00 0.00 N ATOM 863 CA ILE A 53 -0.726 8.799 5.852 1.00 0.00 C ATOM 864 C ILE A 53 -0.429 10.298 5.866 1.00 0.00 C ATOM 865 O ILE A 53 -1.342 11.122 5.894 1.00 0.00 O ATOM 866 CB ILE A 53 -0.718 8.274 7.304 1.00 0.00 C ATOM 867 CG1 ILE A 53 -1.173 6.814 7.344 1.00 0.00 C ATOM 868 CG2 ILE A 53 -1.611 9.135 8.190 1.00 0.00 C ATOM 869 CD1 ILE A 53 -0.980 6.156 8.694 1.00 0.00 C ATOM 0 H ILE A 53 0.725 7.323 5.493 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.711 8.632 5.416 1.00 0.00 H new ATOM 0 HB ILE A 53 0.301 8.331 7.686 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.227 6.763 7.072 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.622 6.250 6.592 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.592 8.749 9.209 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.247 10.163 8.184 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.633 9.110 7.811 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.324 5.123 8.648 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.077 6.175 8.960 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.553 6.696 9.447 1.00 0.00 H new ATOM 881 N GLN A 54 0.853 10.641 5.843 1.00 0.00 N ATOM 882 CA GLN A 54 1.274 12.038 5.866 1.00 0.00 C ATOM 883 C GLN A 54 1.009 12.728 4.529 1.00 0.00 C ATOM 884 O GLN A 54 0.812 13.943 4.480 1.00 0.00 O ATOM 885 CB GLN A 54 2.761 12.133 6.216 1.00 0.00 C ATOM 886 CG GLN A 54 3.254 13.556 6.429 1.00 0.00 C ATOM 887 CD GLN A 54 2.753 14.166 7.726 1.00 0.00 C ATOM 888 OE1 GLN A 54 1.678 13.821 8.217 1.00 0.00 O ATOM 889 NE2 GLN A 54 3.533 15.081 8.289 1.00 0.00 N ATOM 0 H GLN A 54 1.621 9.971 5.808 1.00 0.00 H new ATOM 0 HA GLN A 54 0.687 12.549 6.629 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.949 11.555 7.120 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.342 11.673 5.417 1.00 0.00 H new ATOM 0 HG2 GLN A 54 4.344 13.562 6.428 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.931 14.176 5.593 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.417 15.338 7.849 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.249 15.527 9.161 1.00 0.00 H new ATOM 898 N SER A 55 1.005 11.954 3.448 1.00 0.00 N ATOM 899 CA SER A 55 0.783 12.510 2.115 1.00 0.00 C ATOM 900 C SER A 55 -0.673 12.923 1.899 1.00 0.00 C ATOM 901 O SER A 55 -0.955 14.088 1.616 1.00 0.00 O ATOM 902 CB SER A 55 1.191 11.492 1.049 1.00 0.00 C ATOM 903 OG SER A 55 0.967 11.999 -0.255 1.00 0.00 O ATOM 0 H SER A 55 1.152 10.945 3.467 1.00 0.00 H new ATOM 0 HA SER A 55 1.399 13.405 2.030 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.245 11.239 1.168 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.625 10.571 1.186 1.00 0.00 H new ATOM 0 HG SER A 55 1.811 12.333 -0.625 1.00 0.00 H new ATOM 909 N ALA A 56 -1.593 11.972 2.030 1.00 0.00 N ATOM 910 CA ALA A 56 -3.012 12.256 1.834 1.00 0.00 C ATOM 911 C ALA A 56 -3.845 11.862 3.049 1.00 0.00 C ATOM 912 O ALA A 56 -4.822 12.530 3.387 1.00 0.00 O ATOM 913 CB ALA A 56 -3.523 11.541 0.592 1.00 0.00 C ATOM 0 H ALA A 56 -1.384 11.003 2.270 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.117 13.333 1.700 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.582 11.760 0.456 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.966 11.884 -0.280 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.387 10.466 0.709 1.00 0.00 H new ATOM 919 N GLY A 57 -3.452 10.773 3.703 1.00 0.00 N ATOM 920 CA GLY A 57 -4.177 10.302 4.868 1.00 0.00 C ATOM 921 C GLY A 57 -4.128 8.793 5.000 1.00 0.00 C ATOM 922 O GLY A 57 -3.497 8.117 4.191 1.00 0.00 O ATOM 0 H GLY A 57 -2.643 10.208 3.446 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.756 10.757 5.764 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.216 10.626 4.803 1.00 0.00 H new ATOM 926 N ALA A 58 -4.793 8.262 6.020 1.00 0.00 N ATOM 927 CA ALA A 58 -4.809 6.821 6.246 1.00 0.00 C ATOM 928 C ALA A 58 -5.648 6.099 5.196 1.00 0.00 C ATOM 929 O ALA A 58 -5.118 5.385 4.347 1.00 0.00 O ATOM 930 CB ALA A 58 -5.335 6.513 7.641 1.00 0.00 C ATOM 0 H ALA A 58 -5.326 8.804 6.700 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.784 6.459 6.161 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.342 5.434 7.797 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.691 6.983 8.385 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -6.349 6.901 7.741 1.00 0.00 H new ATOM 936 N ALA A 59 -6.961 6.293 5.261 1.00 0.00 N ATOM 937 CA ALA A 59 -7.880 5.654 4.324 1.00 0.00 C ATOM 938 C ALA A 59 -7.726 6.200 2.906 1.00 0.00 C ATOM 939 O ALA A 59 -7.707 5.439 1.938 1.00 0.00 O ATOM 940 CB ALA A 59 -9.314 5.828 4.801 1.00 0.00 C ATOM 0 H ALA A 59 -7.414 6.889 5.954 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.632 4.593 4.293 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -9.993 5.348 4.096 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.429 5.370 5.784 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -9.550 6.890 4.866 1.00 0.00 H new ATOM 946 N SER A 60 -7.614 7.519 2.793 1.00 0.00 N ATOM 947 CA SER A 60 -7.486 8.178 1.494 1.00 0.00 C ATOM 948 C SER A 60 -6.317 7.631 0.677 1.00 0.00 C ATOM 949 O SER A 60 -6.460 7.360 -0.516 1.00 0.00 O ATOM 950 CB SER A 60 -7.316 9.687 1.684 1.00 0.00 C ATOM 951 OG SER A 60 -8.430 10.244 2.362 1.00 0.00 O ATOM 0 H SER A 60 -7.609 8.157 3.588 1.00 0.00 H new ATOM 0 HA SER A 60 -8.402 7.972 0.940 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.406 9.885 2.250 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.199 10.168 0.713 1.00 0.00 H new ATOM 0 HG SER A 60 -8.297 11.209 2.473 1.00 0.00 H new ATOM 957 N ALA A 61 -5.165 7.472 1.319 1.00 0.00 N ATOM 958 CA ALA A 61 -3.972 6.980 0.635 1.00 0.00 C ATOM 959 C ALA A 61 -4.096 5.507 0.249 1.00 0.00 C ATOM 960 O ALA A 61 -3.847 5.141 -0.899 1.00 0.00 O ATOM 961 CB ALA A 61 -2.743 7.196 1.501 1.00 0.00 C ATOM 0 H ALA A 61 -5.031 7.676 2.309 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.868 7.550 -0.288 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.861 6.825 0.980 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.624 8.260 1.704 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.862 6.658 2.442 1.00 0.00 H new ATOM 967 N VAL A 62 -4.474 4.667 1.208 1.00 0.00 N ATOM 968 CA VAL A 62 -4.616 3.235 0.955 1.00 0.00 C ATOM 969 C VAL A 62 -5.621 2.968 -0.164 1.00 0.00 C ATOM 970 O VAL A 62 -5.491 1.994 -0.907 1.00 0.00 O ATOM 971 CB VAL A 62 -5.051 2.476 2.226 1.00 0.00 C ATOM 972 CG1 VAL A 62 -5.202 0.987 1.947 1.00 0.00 C ATOM 973 CG2 VAL A 62 -4.054 2.709 3.349 1.00 0.00 C ATOM 0 H VAL A 62 -4.687 4.951 2.164 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.636 2.870 0.648 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.022 2.861 2.536 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.509 0.475 2.859 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.956 0.836 1.175 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.249 0.582 1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.375 2.167 4.239 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.071 2.353 3.042 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.001 3.774 3.573 1.00 0.00 H new ATOM 983 N THR A 63 -6.617 3.841 -0.286 1.00 0.00 N ATOM 984 CA THR A 63 -7.639 3.694 -1.316 1.00 0.00 C ATOM 985 C THR A 63 -7.036 3.819 -2.713 1.00 0.00 C ATOM 986 O THR A 63 -7.196 2.930 -3.549 1.00 0.00 O ATOM 987 CB THR A 63 -8.758 4.742 -1.155 1.00 0.00 C ATOM 988 OG1 THR A 63 -9.396 4.585 0.118 1.00 0.00 O ATOM 989 CG2 THR A 63 -9.793 4.608 -2.262 1.00 0.00 C ATOM 0 H THR A 63 -6.738 4.656 0.315 1.00 0.00 H new ATOM 0 HA THR A 63 -8.066 2.698 -1.196 1.00 0.00 H new ATOM 0 HB THR A 63 -8.307 5.732 -1.219 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.909 5.102 0.794 1.00 0.00 H new ATOM 0 HG21 THR A 63 -10.571 5.359 -2.125 1.00 0.00 H new ATOM 0 HG22 THR A 63 -9.312 4.756 -3.229 1.00 0.00 H new ATOM 0 HG23 THR A 63 -10.238 3.614 -2.226 1.00 0.00 H new ATOM 997 N LYS A 64 -6.342 4.928 -2.957 1.00 0.00 N ATOM 998 CA LYS A 64 -5.717 5.170 -4.255 1.00 0.00 C ATOM 999 C LYS A 64 -4.518 4.252 -4.465 1.00 0.00 C ATOM 1000 O LYS A 64 -4.142 3.959 -5.600 1.00 0.00 O ATOM 1001 CB LYS A 64 -5.269 6.626 -4.365 1.00 0.00 C ATOM 1002 CG LYS A 64 -4.249 7.025 -3.312 1.00 0.00 C ATOM 1003 CD LYS A 64 -3.353 8.147 -3.804 1.00 0.00 C ATOM 1004 CE LYS A 64 -2.387 8.604 -2.723 1.00 0.00 C ATOM 1005 NZ LYS A 64 -1.461 7.514 -2.307 1.00 0.00 N ATOM 0 H LYS A 64 -6.198 5.672 -2.274 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.458 4.959 -5.026 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.843 6.794 -5.354 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.141 7.274 -4.279 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.765 7.341 -2.405 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -3.640 6.161 -3.048 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.792 7.810 -4.676 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.966 8.989 -4.125 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.808 9.452 -3.089 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.950 8.952 -1.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.715 7.906 -1.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.991 6.790 -1.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.030 7.084 -3.150 1.00 0.00 H new ATOM 1019 N ALA A 65 -3.921 3.806 -3.364 1.00 0.00 N ATOM 1020 CA ALA A 65 -2.761 2.925 -3.421 1.00 0.00 C ATOM 1021 C ALA A 65 -3.049 1.699 -4.278 1.00 0.00 C ATOM 1022 O ALA A 65 -2.150 1.144 -4.912 1.00 0.00 O ATOM 1023 CB ALA A 65 -2.344 2.506 -2.018 1.00 0.00 C ATOM 0 H ALA A 65 -4.223 4.042 -2.419 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.940 3.475 -3.881 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.477 1.848 -2.077 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.089 3.391 -1.435 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.167 1.978 -1.536 1.00 0.00 H new ATOM 1029 N ILE A 66 -4.310 1.284 -4.292 1.00 0.00 N ATOM 1030 CA ILE A 66 -4.727 0.120 -5.065 1.00 0.00 C ATOM 1031 C ILE A 66 -4.636 0.384 -6.566 1.00 0.00 C ATOM 1032 O ILE A 66 -4.087 -0.425 -7.310 1.00 0.00 O ATOM 1033 CB ILE A 66 -6.171 -0.296 -4.712 1.00 0.00 C ATOM 1034 CG1 ILE A 66 -6.260 -0.739 -3.247 1.00 0.00 C ATOM 1035 CG2 ILE A 66 -6.649 -1.408 -5.638 1.00 0.00 C ATOM 1036 CD1 ILE A 66 -5.415 -1.953 -2.921 1.00 0.00 C ATOM 0 H ILE A 66 -5.064 1.738 -3.775 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.046 -0.690 -4.806 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.821 0.568 -4.850 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.952 0.088 -2.608 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.300 -0.957 -3.006 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.669 -1.688 -5.374 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.624 -1.058 -6.670 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.996 -2.275 -5.533 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.531 -2.205 -1.867 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.737 -2.796 -3.533 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.368 -1.734 -3.128 1.00 0.00 H new ATOM 1048 N ASN A 67 -5.176 1.519 -7.001 1.00 0.00 N ATOM 1049 CA ASN A 67 -5.169 1.884 -8.417 1.00 0.00 C ATOM 1050 C ASN A 67 -3.749 1.961 -8.975 1.00 0.00 C ATOM 1051 O ASN A 67 -3.502 1.569 -10.116 1.00 0.00 O ATOM 1052 CB ASN A 67 -5.876 3.224 -8.618 1.00 0.00 C ATOM 1053 CG ASN A 67 -7.308 3.204 -8.120 1.00 0.00 C ATOM 1054 OD1 ASN A 67 -7.574 3.482 -6.950 1.00 0.00 O ATOM 1055 ND2 ASN A 67 -8.240 2.877 -9.008 1.00 0.00 N ATOM 0 H ASN A 67 -5.625 2.204 -6.393 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.701 1.103 -8.960 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -5.324 4.005 -8.095 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.866 3.481 -9.677 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.221 2.849 -8.731 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.975 2.654 -9.967 1.00 0.00 H new ATOM 1062 N ILE A 68 -2.823 2.468 -8.169 1.00 0.00 N ATOM 1063 CA ILE A 68 -1.433 2.609 -8.592 1.00 0.00 C ATOM 1064 C ILE A 68 -0.705 1.267 -8.612 1.00 0.00 C ATOM 1065 O ILE A 68 -0.090 0.901 -9.612 1.00 0.00 O ATOM 1066 CB ILE A 68 -0.665 3.574 -7.665 1.00 0.00 C ATOM 1067 CG1 ILE A 68 -1.354 4.941 -7.623 1.00 0.00 C ATOM 1068 CG2 ILE A 68 0.779 3.716 -8.124 1.00 0.00 C ATOM 1069 CD1 ILE A 68 -0.793 5.874 -6.571 1.00 0.00 C ATOM 0 H ILE A 68 -3.009 2.789 -7.219 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.459 3.013 -9.604 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.666 3.159 -6.657 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.263 5.414 -8.601 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.418 4.796 -7.437 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.306 4.400 -7.459 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.266 2.741 -8.102 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.801 4.109 -9.140 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.331 6.822 -6.601 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.908 5.423 -5.586 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.265 6.050 -6.768 1.00 0.00 H new ATOM 1081 N PHE A 69 -0.782 0.541 -7.503 1.00 0.00 N ATOM 1082 CA PHE A 69 -0.112 -0.751 -7.376 1.00 0.00 C ATOM 1083 C PHE A 69 -0.601 -1.759 -8.416 1.00 0.00 C ATOM 1084 O PHE A 69 0.197 -2.486 -9.005 1.00 0.00 O ATOM 1085 CB PHE A 69 -0.326 -1.317 -5.970 1.00 0.00 C ATOM 1086 CG PHE A 69 0.352 -2.639 -5.743 1.00 0.00 C ATOM 1087 CD1 PHE A 69 1.732 -2.715 -5.633 1.00 0.00 C ATOM 1088 CD2 PHE A 69 -0.390 -3.803 -5.640 1.00 0.00 C ATOM 1089 CE1 PHE A 69 2.358 -3.930 -5.425 1.00 0.00 C ATOM 1090 CE2 PHE A 69 0.230 -5.020 -5.433 1.00 0.00 C ATOM 1091 CZ PHE A 69 1.606 -5.085 -5.325 1.00 0.00 C ATOM 0 H PHE A 69 -1.304 0.825 -6.674 1.00 0.00 H new ATOM 0 HA PHE A 69 0.951 -0.583 -7.551 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.043 -0.599 -5.238 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.395 -1.432 -5.793 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.324 -1.815 -5.711 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.466 -3.759 -5.722 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.434 -3.976 -5.341 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.361 -5.921 -5.356 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.092 -6.036 -5.163 1.00 0.00 H new ATOM 1101 N GLN A 70 -1.909 -1.800 -8.635 1.00 0.00 N ATOM 1102 CA GLN A 70 -2.492 -2.739 -9.589 1.00 0.00 C ATOM 1103 C GLN A 70 -2.016 -2.471 -11.018 1.00 0.00 C ATOM 1104 O GLN A 70 -1.485 -3.359 -11.683 1.00 0.00 O ATOM 1105 CB GLN A 70 -4.028 -2.691 -9.516 1.00 0.00 C ATOM 1106 CG GLN A 70 -4.648 -1.407 -10.048 1.00 0.00 C ATOM 1107 CD GLN A 70 -6.157 -1.389 -9.905 1.00 0.00 C ATOM 1108 OE1 GLN A 70 -6.691 -0.926 -8.897 1.00 0.00 O ATOM 1109 NE2 GLN A 70 -6.852 -1.896 -10.915 1.00 0.00 N ATOM 0 H GLN A 70 -2.586 -1.197 -8.167 1.00 0.00 H new ATOM 0 HA GLN A 70 -2.153 -3.738 -9.315 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -4.432 -3.534 -10.077 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -4.334 -2.824 -8.478 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.225 -0.555 -9.515 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -4.384 -1.288 -11.099 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -6.367 -2.269 -11.731 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.871 -1.913 -10.875 1.00 0.00 H new ATOM 1118 N LYS A 71 -2.186 -1.240 -11.473 1.00 0.00 N ATOM 1119 CA LYS A 71 -1.810 -0.854 -12.827 1.00 0.00 C ATOM 1120 C LYS A 71 -0.300 -0.879 -13.051 1.00 0.00 C ATOM 1121 O LYS A 71 0.157 -0.715 -14.184 1.00 0.00 O ATOM 1122 CB LYS A 71 -2.348 0.544 -13.137 1.00 0.00 C ATOM 1123 CG LYS A 71 -3.863 0.619 -13.186 1.00 0.00 C ATOM 1124 CD LYS A 71 -4.332 2.025 -13.510 1.00 0.00 C ATOM 1125 CE LYS A 71 -5.822 2.060 -13.797 1.00 0.00 C ATOM 1126 NZ LYS A 71 -6.626 1.666 -12.607 1.00 0.00 N ATOM 0 H LYS A 71 -2.586 -0.483 -10.919 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.251 -1.589 -13.501 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.983 1.240 -12.381 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.946 0.874 -14.095 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.240 -0.075 -13.937 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.277 0.307 -12.227 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.105 2.687 -12.674 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.785 2.403 -14.374 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.108 3.064 -14.112 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.048 1.389 -14.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.639 1.752 -12.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.409 0.681 -12.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.392 2.290 -11.808 1.00 0.00 H new ATOM 1140 N LEU A 72 0.483 -1.081 -11.993 1.00 0.00 N ATOM 1141 CA LEU A 72 1.936 -1.053 -12.143 1.00 0.00 C ATOM 1142 C LEU A 72 2.621 -2.416 -12.085 1.00 0.00 C ATOM 1143 O LEU A 72 3.537 -2.674 -12.868 1.00 0.00 O ATOM 1144 CB LEU A 72 2.515 -0.206 -11.018 1.00 0.00 C ATOM 1145 CG LEU A 72 2.974 1.197 -11.408 1.00 0.00 C ATOM 1146 CD1 LEU A 72 4.149 1.133 -12.372 1.00 0.00 C ATOM 1147 CD2 LEU A 72 1.824 1.989 -12.015 1.00 0.00 C ATOM 0 H LEU A 72 0.148 -1.261 -11.047 1.00 0.00 H new ATOM 0 HA LEU A 72 2.123 -0.650 -13.138 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.764 -0.117 -10.233 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.363 -0.738 -10.588 1.00 0.00 H new ATOM 0 HG LEU A 72 3.304 1.710 -10.504 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.459 2.144 -12.636 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.980 0.611 -11.898 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.851 0.598 -13.274 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.172 2.986 -12.286 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.460 1.477 -12.906 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.016 2.072 -11.288 1.00 0.00 H new ATOM 1159 N ASN A 73 2.199 -3.289 -11.179 1.00 0.00 N ATOM 1160 CA ASN A 73 2.860 -4.588 -11.056 1.00 0.00 C ATOM 1161 C ASN A 73 1.933 -5.795 -11.169 1.00 0.00 C ATOM 1162 O ASN A 73 2.195 -6.713 -11.945 1.00 0.00 O ATOM 1163 CB ASN A 73 3.613 -4.656 -9.727 1.00 0.00 C ATOM 1164 CG ASN A 73 4.715 -3.619 -9.633 1.00 0.00 C ATOM 1165 OD1 ASN A 73 5.343 -3.315 -10.763 1.00 0.00 O flip ATOM 1166 ND2 ASN A 73 5.002 -3.098 -8.555 1.00 0.00 N flip ATOM 0 H ASN A 73 1.425 -3.132 -10.534 1.00 0.00 H new ATOM 0 HA ASN A 73 3.538 -4.651 -11.907 1.00 0.00 H new ATOM 0 HB2 ASN A 73 2.910 -4.511 -8.907 1.00 0.00 H new ATOM 0 HB3 ASN A 73 4.043 -5.651 -9.606 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.494 -3.361 -7.710 1.00 0.00 H new ATOM 0 HD22 ASN A 73 5.748 -2.404 -8.507 1.00 0.00 H new ATOM 1173 N TYR A 74 0.855 -5.795 -10.396 1.00 0.00 N ATOM 1174 CA TYR A 74 -0.048 -6.950 -10.366 1.00 0.00 C ATOM 1175 C TYR A 74 -1.528 -6.576 -10.362 1.00 0.00 C ATOM 1176 O TYR A 74 -2.235 -6.854 -9.395 1.00 0.00 O ATOM 1177 CB TYR A 74 0.274 -7.828 -9.157 1.00 0.00 C ATOM 1178 CG TYR A 74 1.618 -8.515 -9.256 1.00 0.00 C ATOM 1179 CD1 TYR A 74 1.819 -9.560 -10.150 1.00 0.00 C ATOM 1180 CD2 TYR A 74 2.685 -8.119 -8.460 1.00 0.00 C ATOM 1181 CE1 TYR A 74 3.045 -10.189 -10.249 1.00 0.00 C ATOM 1182 CE2 TYR A 74 3.914 -8.743 -8.552 1.00 0.00 C ATOM 1183 CZ TYR A 74 4.089 -9.778 -9.448 1.00 0.00 C ATOM 1184 OH TYR A 74 5.312 -10.401 -9.544 1.00 0.00 O ATOM 0 H TYR A 74 0.582 -5.023 -9.788 1.00 0.00 H new ATOM 0 HA TYR A 74 0.123 -7.499 -11.292 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.253 -7.215 -8.256 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.505 -8.583 -9.047 1.00 0.00 H new ATOM 0 HD1 TYR A 74 1.003 -9.886 -10.778 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.552 -7.310 -7.757 1.00 0.00 H new ATOM 0 HE1 TYR A 74 3.185 -10.998 -10.950 1.00 0.00 H new ATOM 0 HE2 TYR A 74 4.734 -8.423 -7.926 1.00 0.00 H new ATOM 0 HH TYR A 74 5.939 -9.991 -8.912 1.00 0.00 H new ATOM 1194 N MET A 75 -1.993 -5.939 -11.430 1.00 0.00 N ATOM 1195 CA MET A 75 -3.399 -5.549 -11.527 1.00 0.00 C ATOM 1196 C MET A 75 -4.319 -6.735 -11.233 1.00 0.00 C ATOM 1197 O MET A 75 -5.493 -6.556 -10.908 1.00 0.00 O ATOM 1198 CB MET A 75 -3.703 -4.994 -12.921 1.00 0.00 C ATOM 1199 CG MET A 75 -3.567 -6.025 -14.031 1.00 0.00 C ATOM 1200 SD MET A 75 -3.900 -5.339 -15.665 1.00 0.00 S ATOM 1201 CE MET A 75 -2.539 -4.187 -15.834 1.00 0.00 C ATOM 0 H MET A 75 -1.424 -5.682 -12.237 1.00 0.00 H new ATOM 0 HA MET A 75 -3.583 -4.774 -10.783 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.717 -4.594 -12.930 1.00 0.00 H new ATOM 0 HB3 MET A 75 -3.030 -4.161 -13.126 1.00 0.00 H new ATOM 0 HG2 MET A 75 -2.559 -6.440 -14.014 1.00 0.00 H new ATOM 0 HG3 MET A 75 -4.254 -6.850 -13.841 1.00 0.00 H new ATOM 0 HE1 MET A 75 -2.402 -3.938 -16.886 1.00 0.00 H new ATOM 0 HE2 MET A 75 -2.759 -3.279 -15.272 1.00 0.00 H new ATOM 0 HE3 MET A 75 -1.627 -4.642 -15.447 1.00 0.00 H new ATOM 1211 N HIS A 76 -3.776 -7.945 -11.349 1.00 0.00 N ATOM 1212 CA HIS A 76 -4.539 -9.161 -11.091 1.00 0.00 C ATOM 1213 C HIS A 76 -4.629 -9.452 -9.592 1.00 0.00 C ATOM 1214 O HIS A 76 -5.710 -9.716 -9.065 1.00 0.00 O ATOM 1215 CB HIS A 76 -3.895 -10.346 -11.816 1.00 0.00 C ATOM 1216 CG HIS A 76 -4.625 -11.641 -11.628 1.00 0.00 C ATOM 1217 ND1 HIS A 76 -5.575 -12.122 -12.503 1.00 0.00 N ATOM 1218 CD2 HIS A 76 -4.522 -12.568 -10.641 1.00 0.00 C ATOM 1219 CE1 HIS A 76 -6.009 -13.299 -12.031 1.00 0.00 C ATOM 1220 NE2 HIS A 76 -5.400 -13.614 -10.904 1.00 0.00 N ATOM 0 H HIS A 76 -2.807 -8.108 -11.621 1.00 0.00 H new ATOM 0 HA HIS A 76 -5.551 -9.012 -11.468 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -3.841 -10.122 -12.881 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -2.871 -10.463 -11.462 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -3.863 -12.503 -9.788 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -6.759 -13.910 -12.511 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -5.544 -14.452 -10.341 1.00 0.00 H new ATOM 1228 N ILE A 77 -3.486 -9.399 -8.912 1.00 0.00 N ATOM 1229 CA ILE A 77 -3.428 -9.669 -7.476 1.00 0.00 C ATOM 1230 C ILE A 77 -4.142 -8.592 -6.663 1.00 0.00 C ATOM 1231 O ILE A 77 -4.887 -8.899 -5.732 1.00 0.00 O ATOM 1232 CB ILE A 77 -1.969 -9.782 -6.986 1.00 0.00 C ATOM 1233 CG1 ILE A 77 -1.260 -10.939 -7.696 1.00 0.00 C ATOM 1234 CG2 ILE A 77 -1.924 -9.970 -5.474 1.00 0.00 C ATOM 1235 CD1 ILE A 77 0.198 -11.091 -7.310 1.00 0.00 C ATOM 0 H ILE A 77 -2.585 -9.171 -9.333 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.938 -10.620 -7.322 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.448 -8.856 -7.228 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.785 -11.868 -7.471 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.327 -10.788 -8.773 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.887 -10.048 -5.148 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.395 -9.116 -4.987 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.458 -10.881 -5.205 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.633 -11.930 -7.853 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.738 -10.178 -7.561 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.273 -11.274 -6.238 1.00 0.00 H new ATOM 1247 N ALA A 78 -3.905 -7.332 -7.013 1.00 0.00 N ATOM 1248 CA ALA A 78 -4.517 -6.210 -6.308 1.00 0.00 C ATOM 1249 C ALA A 78 -6.037 -6.338 -6.258 1.00 0.00 C ATOM 1250 O ALA A 78 -6.675 -5.875 -5.312 1.00 0.00 O ATOM 1251 CB ALA A 78 -4.117 -4.898 -6.963 1.00 0.00 C ATOM 0 H ALA A 78 -3.292 -7.061 -7.782 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.152 -6.222 -5.281 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.580 -4.068 -6.428 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.033 -4.791 -6.931 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.451 -4.892 -8.000 1.00 0.00 H new ATOM 1257 N ASN A 79 -6.611 -6.964 -7.283 1.00 0.00 N ATOM 1258 CA ASN A 79 -8.059 -7.148 -7.359 1.00 0.00 C ATOM 1259 C ASN A 79 -8.606 -7.801 -6.090 1.00 0.00 C ATOM 1260 O ASN A 79 -9.735 -7.534 -5.682 1.00 0.00 O ATOM 1261 CB ASN A 79 -8.418 -7.998 -8.580 1.00 0.00 C ATOM 1262 CG ASN A 79 -9.917 -8.138 -8.768 1.00 0.00 C ATOM 1263 OD1 ASN A 79 -10.686 -7.250 -8.400 1.00 0.00 O ATOM 1264 ND2 ASN A 79 -10.338 -9.256 -9.346 1.00 0.00 N ATOM 0 H ASN A 79 -6.096 -7.353 -8.073 1.00 0.00 H new ATOM 0 HA ASN A 79 -8.517 -6.163 -7.456 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.983 -7.548 -9.473 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -7.974 -8.988 -8.473 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -11.335 -9.406 -9.501 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -9.665 -9.965 -9.635 1.00 0.00 H new ATOM 1271 N ALA A 80 -7.806 -8.667 -5.480 1.00 0.00 N ATOM 1272 CA ALA A 80 -8.213 -9.352 -4.259 1.00 0.00 C ATOM 1273 C ALA A 80 -8.215 -8.404 -3.060 1.00 0.00 C ATOM 1274 O ALA A 80 -9.045 -8.532 -2.158 1.00 0.00 O ATOM 1275 CB ALA A 80 -7.301 -10.539 -3.992 1.00 0.00 C ATOM 0 H ALA A 80 -6.872 -8.912 -5.810 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.232 -9.711 -4.401 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.616 -11.041 -3.077 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.358 -11.237 -4.827 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.274 -10.191 -3.879 1.00 0.00 H new ATOM 1281 N LEU A 81 -7.283 -7.454 -3.058 1.00 0.00 N ATOM 1282 CA LEU A 81 -7.164 -6.492 -1.963 1.00 0.00 C ATOM 1283 C LEU A 81 -8.297 -5.467 -1.978 1.00 0.00 C ATOM 1284 O LEU A 81 -8.891 -5.176 -0.939 1.00 0.00 O ATOM 1285 CB LEU A 81 -5.814 -5.768 -2.031 1.00 0.00 C ATOM 1286 CG LEU A 81 -4.607 -6.569 -1.531 1.00 0.00 C ATOM 1287 CD1 LEU A 81 -4.778 -6.941 -0.066 1.00 0.00 C ATOM 1288 CD2 LEU A 81 -4.396 -7.815 -2.378 1.00 0.00 C ATOM 0 H LEU A 81 -6.598 -7.329 -3.803 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.231 -7.055 -1.032 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.630 -5.476 -3.065 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.885 -4.850 -1.448 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.722 -5.940 -1.624 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.910 -7.509 0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.870 -6.034 0.531 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.676 -7.547 0.053 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.534 -8.367 -2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.283 -8.446 -2.324 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.220 -7.525 -3.414 1.00 0.00 H new ATOM 1300 N GLU A 82 -8.589 -4.919 -3.155 1.00 0.00 N ATOM 1301 CA GLU A 82 -9.641 -3.914 -3.290 1.00 0.00 C ATOM 1302 C GLU A 82 -10.976 -4.426 -2.753 1.00 0.00 C ATOM 1303 O GLU A 82 -11.827 -3.640 -2.336 1.00 0.00 O ATOM 1304 CB GLU A 82 -9.792 -3.488 -4.753 1.00 0.00 C ATOM 1305 CG GLU A 82 -10.188 -4.621 -5.683 1.00 0.00 C ATOM 1306 CD GLU A 82 -10.380 -4.160 -7.115 1.00 0.00 C ATOM 1307 OE1 GLU A 82 -9.373 -4.051 -7.844 1.00 0.00 O ATOM 1308 OE2 GLU A 82 -11.540 -3.909 -7.506 1.00 0.00 O ATOM 0 H GLU A 82 -8.114 -5.153 -4.027 1.00 0.00 H new ATOM 0 HA GLU A 82 -9.347 -3.049 -2.696 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.542 -2.699 -4.817 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.850 -3.061 -5.096 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.421 -5.395 -5.654 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.112 -5.075 -5.324 1.00 0.00 H new ATOM 1315 N GLU A 83 -11.156 -5.743 -2.764 1.00 0.00 N ATOM 1316 CA GLU A 83 -12.390 -6.346 -2.273 1.00 0.00 C ATOM 1317 C GLU A 83 -12.503 -6.192 -0.758 1.00 0.00 C ATOM 1318 O GLU A 83 -13.600 -6.048 -0.219 1.00 0.00 O ATOM 1319 CB GLU A 83 -12.452 -7.826 -2.660 1.00 0.00 C ATOM 1320 CG GLU A 83 -13.760 -8.500 -2.280 1.00 0.00 C ATOM 1321 CD GLU A 83 -13.848 -9.928 -2.785 1.00 0.00 C ATOM 1322 OE1 GLU A 83 -14.294 -10.124 -3.935 1.00 0.00 O ATOM 1323 OE2 GLU A 83 -13.472 -10.849 -2.031 1.00 0.00 O ATOM 0 H GLU A 83 -10.465 -6.411 -3.106 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.230 -5.827 -2.735 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.305 -7.918 -3.736 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.628 -8.353 -2.179 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.865 -8.495 -1.195 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -14.592 -7.924 -2.684 1.00 0.00 H new ATOM 1330 N LYS A 84 -11.359 -6.223 -0.080 1.00 0.00 N ATOM 1331 CA LYS A 84 -11.322 -6.081 1.372 1.00 0.00 C ATOM 1332 C LYS A 84 -11.824 -4.703 1.799 1.00 0.00 C ATOM 1333 O LYS A 84 -12.379 -4.545 2.887 1.00 0.00 O ATOM 1334 CB LYS A 84 -9.897 -6.303 1.890 1.00 0.00 C ATOM 1335 CG LYS A 84 -9.744 -6.084 3.390 1.00 0.00 C ATOM 1336 CD LYS A 84 -10.537 -7.101 4.200 1.00 0.00 C ATOM 1337 CE LYS A 84 -9.808 -8.433 4.308 1.00 0.00 C ATOM 1338 NZ LYS A 84 -9.722 -9.137 2.997 1.00 0.00 N ATOM 0 H LYS A 84 -10.444 -6.345 -0.514 1.00 0.00 H new ATOM 0 HA LYS A 84 -11.980 -6.835 1.803 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.587 -7.320 1.648 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.221 -5.630 1.364 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -8.690 -6.148 3.660 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -10.077 -5.078 3.645 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -10.721 -6.706 5.199 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -11.510 -7.256 3.735 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.803 -8.265 4.694 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.323 -9.070 5.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -9.776 -10.164 3.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -10.510 -8.836 2.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -8.820 -8.903 2.536 1.00 0.00 H new ATOM 1352 N LYS A 85 -11.622 -3.711 0.934 1.00 0.00 N ATOM 1353 CA LYS A 85 -12.050 -2.344 1.218 1.00 0.00 C ATOM 1354 C LYS A 85 -13.522 -2.303 1.620 1.00 0.00 C ATOM 1355 O LYS A 85 -13.921 -1.497 2.460 1.00 0.00 O ATOM 1356 CB LYS A 85 -11.821 -1.448 -0.003 1.00 0.00 C ATOM 1357 CG LYS A 85 -12.124 0.020 0.254 1.00 0.00 C ATOM 1358 CD LYS A 85 -11.875 0.871 -0.983 1.00 0.00 C ATOM 1359 CE LYS A 85 -12.883 0.569 -2.083 1.00 0.00 C ATOM 1360 NZ LYS A 85 -12.660 1.420 -3.284 1.00 0.00 N ATOM 0 H LYS A 85 -11.164 -3.829 0.030 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.453 -1.973 2.051 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -10.784 -1.545 -0.325 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -12.445 -1.801 -0.824 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -13.163 0.128 0.567 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -11.505 0.381 1.075 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -11.932 1.926 -0.717 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -10.866 0.689 -1.353 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -12.811 -0.482 -2.363 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -13.893 0.730 -1.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -13.365 1.186 -4.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -12.753 2.422 -3.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -11.705 1.248 -3.659 1.00 0.00 H new ATOM 1374 N LYS A 86 -14.320 -3.178 1.014 1.00 0.00 N ATOM 1375 CA LYS A 86 -15.748 -3.247 1.308 1.00 0.00 C ATOM 1376 C LYS A 86 -15.991 -3.426 2.804 1.00 0.00 C ATOM 1377 O LYS A 86 -16.720 -2.649 3.422 1.00 0.00 O ATOM 1378 CB LYS A 86 -16.393 -4.399 0.534 1.00 0.00 C ATOM 1379 CG LYS A 86 -16.309 -4.240 -0.975 1.00 0.00 C ATOM 1380 CD LYS A 86 -16.993 -5.392 -1.692 1.00 0.00 C ATOM 1381 CE LYS A 86 -16.929 -5.226 -3.202 1.00 0.00 C ATOM 1382 NZ LYS A 86 -15.526 -5.185 -3.699 1.00 0.00 N ATOM 0 H LYS A 86 -14.001 -3.850 0.316 1.00 0.00 H new ATOM 0 HA LYS A 86 -16.202 -2.307 0.996 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -15.910 -5.333 0.820 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -17.440 -4.480 0.825 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -16.773 -3.299 -1.270 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -15.264 -4.189 -1.280 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -16.519 -6.331 -1.408 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -18.034 -5.452 -1.375 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -17.459 -6.050 -3.680 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -17.442 -4.308 -3.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.527 -5.054 -4.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -15.022 -4.394 -3.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -15.048 -6.078 -3.464 1.00 0.00 H new ATOM 1396 N GLU A 87 -15.375 -4.454 3.381 1.00 0.00 N ATOM 1397 CA GLU A 87 -15.522 -4.733 4.806 1.00 0.00 C ATOM 1398 C GLU A 87 -14.898 -3.619 5.643 1.00 0.00 C ATOM 1399 O GLU A 87 -15.329 -3.358 6.766 1.00 0.00 O ATOM 1400 CB GLU A 87 -14.873 -6.074 5.157 1.00 0.00 C ATOM 1401 CG GLU A 87 -15.047 -6.469 6.615 1.00 0.00 C ATOM 1402 CD GLU A 87 -14.300 -7.738 6.970 1.00 0.00 C ATOM 1403 OE1 GLU A 87 -14.860 -8.835 6.763 1.00 0.00 O ATOM 1404 OE2 GLU A 87 -13.154 -7.636 7.456 1.00 0.00 O ATOM 0 H GLU A 87 -14.770 -5.107 2.884 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.587 -4.784 5.033 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -15.300 -6.852 4.525 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -13.809 -6.025 4.927 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -14.697 -5.656 7.252 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -16.108 -6.605 6.826 1.00 0.00 H new ATOM 1411 N ALA A 88 -13.881 -2.969 5.089 1.00 0.00 N ATOM 1412 CA ALA A 88 -13.194 -1.886 5.782 1.00 0.00 C ATOM 1413 C ALA A 88 -14.115 -0.689 5.999 1.00 0.00 C ATOM 1414 O ALA A 88 -13.951 0.066 6.957 1.00 0.00 O ATOM 1415 CB ALA A 88 -11.958 -1.464 5.003 1.00 0.00 C ATOM 0 H ALA A 88 -13.513 -3.174 4.160 1.00 0.00 H new ATOM 0 HA ALA A 88 -12.890 -2.256 6.761 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -11.454 -0.655 5.531 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.281 -2.313 4.908 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -12.252 -1.122 4.011 1.00 0.00 H new ATOM 1421 N GLU A 89 -15.082 -0.524 5.102 1.00 0.00 N ATOM 1422 CA GLU A 89 -16.031 0.583 5.188 1.00 0.00 C ATOM 1423 C GLU A 89 -16.691 0.646 6.564 1.00 0.00 C ATOM 1424 O GLU A 89 -16.680 1.690 7.218 1.00 0.00 O ATOM 1425 CB GLU A 89 -17.100 0.446 4.104 1.00 0.00 C ATOM 1426 CG GLU A 89 -16.550 0.552 2.691 1.00 0.00 C ATOM 1427 CD GLU A 89 -15.879 1.886 2.427 1.00 0.00 C ATOM 1428 OE1 GLU A 89 -16.582 2.834 2.017 1.00 0.00 O ATOM 1429 OE2 GLU A 89 -14.650 1.981 2.629 1.00 0.00 O ATOM 0 H GLU A 89 -15.230 -1.144 4.305 1.00 0.00 H new ATOM 0 HA GLU A 89 -15.477 1.509 5.035 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -17.601 -0.515 4.219 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -17.855 1.219 4.250 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -15.833 -0.251 2.523 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -17.361 0.410 1.977 1.00 0.00 H new ATOM 1436 N ARG A 90 -17.263 -0.472 6.998 1.00 0.00 N ATOM 1437 CA ARG A 90 -17.930 -0.532 8.296 1.00 0.00 C ATOM 1438 C ARG A 90 -16.922 -0.477 9.442 1.00 0.00 C ATOM 1439 O ARG A 90 -17.279 -0.161 10.577 1.00 0.00 O ATOM 1440 CB ARG A 90 -18.776 -1.804 8.403 1.00 0.00 C ATOM 1441 CG ARG A 90 -17.975 -3.087 8.251 1.00 0.00 C ATOM 1442 CD ARG A 90 -18.863 -4.314 8.375 1.00 0.00 C ATOM 1443 NE ARG A 90 -18.109 -5.556 8.221 1.00 0.00 N ATOM 1444 CZ ARG A 90 -18.675 -6.757 8.130 1.00 0.00 C ATOM 1445 NH1 ARG A 90 -19.995 -6.878 8.171 1.00 0.00 N ATOM 1446 NH2 ARG A 90 -17.919 -7.838 7.997 1.00 0.00 N ATOM 0 H ARG A 90 -17.279 -1.346 6.473 1.00 0.00 H new ATOM 0 HA ARG A 90 -18.582 0.338 8.375 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -19.280 -1.814 9.369 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -19.552 -1.778 7.638 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -17.476 -3.094 7.282 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -17.195 -3.123 9.011 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -19.356 -4.308 9.347 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -19.648 -4.271 7.620 1.00 0.00 H new ATOM 0 HE ARG A 90 -17.091 -5.499 8.181 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -20.580 -6.049 8.273 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -20.425 -7.800 8.101 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -16.903 -7.749 7.964 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -18.353 -8.758 7.927 1.00 0.00 H new ATOM 1460 N LYS A 91 -15.663 -0.786 9.141 1.00 0.00 N ATOM 1461 CA LYS A 91 -14.612 -0.767 10.153 1.00 0.00 C ATOM 1462 C LYS A 91 -14.239 0.664 10.526 1.00 0.00 C ATOM 1463 O LYS A 91 -13.587 0.902 11.543 1.00 0.00 O ATOM 1464 CB LYS A 91 -13.372 -1.512 9.652 1.00 0.00 C ATOM 1465 CG LYS A 91 -13.586 -3.007 9.478 1.00 0.00 C ATOM 1466 CD LYS A 91 -12.322 -3.702 8.996 1.00 0.00 C ATOM 1467 CE LYS A 91 -11.213 -3.639 10.036 1.00 0.00 C ATOM 1468 NZ LYS A 91 -11.590 -4.343 11.292 1.00 0.00 N ATOM 0 H LYS A 91 -15.347 -1.051 8.208 1.00 0.00 H new ATOM 0 HA LYS A 91 -14.995 -1.269 11.042 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -13.063 -1.085 8.698 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -12.554 -1.350 10.354 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -13.902 -3.442 10.426 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.391 -3.179 8.764 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -12.545 -4.744 8.765 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.981 -3.236 8.072 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.306 -4.085 9.628 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.983 -2.597 10.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.740 -4.501 11.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.269 -3.763 11.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -12.025 -5.259 11.060 1.00 0.00 H new ATOM 1482 N LEU A 92 -14.655 1.614 9.694 1.00 0.00 N ATOM 1483 CA LEU A 92 -14.365 3.022 9.936 1.00 0.00 C ATOM 1484 C LEU A 92 -15.532 3.706 10.639 1.00 0.00 C ATOM 1485 O LEU A 92 -15.450 4.881 11.001 1.00 0.00 O ATOM 1486 CB LEU A 92 -14.062 3.737 8.617 1.00 0.00 C ATOM 1487 CG LEU A 92 -12.945 3.112 7.779 1.00 0.00 C ATOM 1488 CD1 LEU A 92 -12.773 3.872 6.473 1.00 0.00 C ATOM 1489 CD2 LEU A 92 -11.638 3.087 8.559 1.00 0.00 C ATOM 0 H LEU A 92 -15.194 1.434 8.847 1.00 0.00 H new ATOM 0 HA LEU A 92 -13.490 3.079 10.583 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.973 3.762 8.018 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.795 4.771 8.836 1.00 0.00 H new ATOM 0 HG LEU A 92 -13.223 2.084 7.547 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -11.975 3.415 5.888 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -13.703 3.837 5.906 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -12.517 4.910 6.687 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.857 2.639 7.945 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -11.353 4.105 8.823 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -11.768 2.499 9.468 1.00 0.00 H new ATOM 1501 N MET A 93 -16.619 2.963 10.827 1.00 0.00 N ATOM 1502 CA MET A 93 -17.807 3.496 11.486 1.00 0.00 C ATOM 1503 C MET A 93 -17.816 3.134 12.967 1.00 0.00 C ATOM 1504 O MET A 93 -18.819 3.319 13.657 1.00 0.00 O ATOM 1505 CB MET A 93 -19.072 2.962 10.809 1.00 0.00 C ATOM 1506 CG MET A 93 -19.146 3.277 9.324 1.00 0.00 C ATOM 1507 SD MET A 93 -20.686 2.722 8.569 1.00 0.00 S ATOM 1508 CE MET A 93 -21.880 3.737 9.439 1.00 0.00 C ATOM 0 H MET A 93 -16.702 1.990 10.532 1.00 0.00 H new ATOM 0 HA MET A 93 -17.786 4.582 11.397 1.00 0.00 H new ATOM 0 HB2 MET A 93 -19.119 1.882 10.946 1.00 0.00 H new ATOM 0 HB3 MET A 93 -19.946 3.384 11.306 1.00 0.00 H new ATOM 0 HG2 MET A 93 -19.043 4.352 9.180 1.00 0.00 H new ATOM 0 HG3 MET A 93 -18.306 2.805 8.815 1.00 0.00 H new ATOM 0 HE1 MET A 93 -22.793 3.811 8.849 1.00 0.00 H new ATOM 0 HE2 MET A 93 -22.107 3.285 10.404 1.00 0.00 H new ATOM 0 HE3 MET A 93 -21.466 4.734 9.594 1.00 0.00 H new ATOM 1518 N THR A 94 -16.689 2.620 13.451 1.00 0.00 N ATOM 1519 CA THR A 94 -16.565 2.230 14.851 1.00 0.00 C ATOM 1520 C THR A 94 -15.292 2.795 15.473 1.00 0.00 C ATOM 1521 O THR A 94 -14.363 3.188 14.767 1.00 0.00 O ATOM 1522 CB THR A 94 -16.561 0.698 15.005 1.00 0.00 C ATOM 1523 OG1 THR A 94 -15.553 0.123 14.164 1.00 0.00 O ATOM 1524 CG2 THR A 94 -17.919 0.112 14.648 1.00 0.00 C ATOM 0 H THR A 94 -15.849 2.464 12.894 1.00 0.00 H new ATOM 0 HA THR A 94 -17.430 2.641 15.371 1.00 0.00 H new ATOM 0 HB THR A 94 -16.344 0.462 16.047 1.00 0.00 H new ATOM 0 HG1 THR A 94 -15.556 -0.851 14.269 1.00 0.00 H new ATOM 0 HG21 THR A 94 -17.890 -0.971 14.765 1.00 0.00 H new ATOM 0 HG22 THR A 94 -18.680 0.528 15.309 1.00 0.00 H new ATOM 0 HG23 THR A 94 -18.162 0.359 13.614 1.00 0.00 H new ATOM 1532 N ASN A 95 -15.258 2.836 16.801 1.00 0.00 N ATOM 1533 CA ASN A 95 -14.100 3.349 17.524 1.00 0.00 C ATOM 1534 C ASN A 95 -13.132 2.222 17.869 1.00 0.00 C ATOM 1535 O ASN A 95 -12.207 1.970 17.068 1.00 0.00 O ATOM 1536 CB ASN A 95 -14.543 4.064 18.801 1.00 0.00 C ATOM 1537 CG ASN A 95 -15.439 5.256 18.520 1.00 0.00 C ATOM 1538 OD1 ASN A 95 -16.156 5.287 17.519 1.00 0.00 O ATOM 1539 ND2 ASN A 95 -15.405 6.245 19.407 1.00 0.00 N ATOM 1540 OXT ASN A 95 -13.307 1.598 18.938 1.00 0.00 O ATOM 0 H ASN A 95 -16.021 2.519 17.399 1.00 0.00 H new ATOM 0 HA ASN A 95 -13.587 4.061 16.878 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -15.072 3.360 19.443 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -13.663 4.397 19.351 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -15.988 7.071 19.272 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -14.796 6.178 20.223 1.00 0.00 H new TER 1547 ASN A 95