USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 938 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 89 THR OG1 : rot -54:sc= 1.23 USER MOD Set 1.2: A 102 ASN :FLIP amide:sc= 1.1 F(o=-0.67,f=2.3) USER MOD Set 2.1: A 91 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 100 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 66 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 74 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 57 GLN : amide:sc= -1.62 X(o=-2.2,f=-2.1) USER MOD Set 4.2: A 59 ASN : amide:sc= -0.626 K(o=-2.2,f=-3.9!) USER MOD Set 5.1: A 23 GLN : amide:sc= 0.623 K(o=1.4,f=-1.9) USER MOD Set 5.2: A 25 LYS NZ :NH3+ -113:sc= 0.74 (180deg=0) USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0833 (180deg=-0.472) USER MOD Single : A 1 MET N :NH3+ -98:sc= 0.0368 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.471 X(o=-0.47,f=-0.044) USER MOD Single : A 4 HIS : no HE2:sc= 0.0453 K(o=0.045,f=-2.4!) USER MOD Single : A 5 HIS : no HD1:sc= -0.0238 X(o=-0.024,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.474 X(o=-0.47,f=-0.88) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.0809 X(o=-0.081,f=-0.0047) USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 13 LYS NZ :NH3+ -165:sc= 1.56 (180deg=1.05) USER MOD Single : A 17 MET CE :methyl 177:sc= 0 (180deg=-0.0183) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 165:sc= -0.1 (180deg=-0.353) USER MOD Single : A 24 SER OG : rot 25:sc= 0.283 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -2.01 K(o=-2,f=-6.6!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.495 K(o=-0.49,f=-3.7!) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 55 MET CE :methyl -153:sc= -1.38 (180deg=-2.59!) USER MOD Single : A 60 THR OG1 : rot -144:sc= -0.432 USER MOD Single : A 64 SER OG : rot 180:sc= -0.554 USER MOD Single : A 67 GLN : amide:sc= 0.487 K(o=0.49,f=-0.033) USER MOD Single : A 69 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 70 THR OG1 : rot -23:sc= 0.646 USER MOD Single : A 78 LYS NZ :NH3+ -162:sc= 1.22 (180deg=0.982) USER MOD Single : A 81 ASN : amide:sc= -0.43 X(o=-0.43,f=-0.033) USER MOD Single : A 82 LYS NZ :NH3+ 153:sc= -0.152 (180deg=-0.82!) USER MOD Single : A 83 LYS NZ :NH3+ 168:sc= -0.0157 (180deg=-0.185) USER MOD Single : A 88 TYR OH : rot -38:sc= 0.0173 USER MOD Single : A 94 ASN : amide:sc= -0.658 K(o=-0.66,f=-9!) USER MOD Single : A 99 THR OG1 : rot 180:sc=-0.00914 USER MOD Single : A 101 CYS SG : rot 180:sc= -0.445! USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.0509 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 29.763 -32.000 -4.387 1.00 22.30 N ATOM 2 CA MET A 1 30.371 -31.987 -5.748 1.00 45.54 C ATOM 3 C MET A 1 30.084 -30.665 -6.477 1.00 0.11 C ATOM 4 O MET A 1 29.097 -29.988 -6.192 1.00 35.14 O ATOM 5 CB MET A 1 29.824 -33.159 -6.578 1.00 44.01 C ATOM 6 CG MET A 1 30.449 -33.276 -7.965 1.00 24.43 C ATOM 7 SD MET A 1 29.672 -34.547 -8.982 1.00 2.54 S ATOM 8 CE MET A 1 29.954 -36.010 -7.984 1.00 10.34 C ATOM 0 H1 MET A 1 30.485 -31.749 -3.682 1.00 22.30 H new ATOM 0 H2 MET A 1 28.986 -31.310 -4.347 1.00 22.30 H new ATOM 0 H3 MET A 1 29.393 -32.950 -4.181 1.00 22.30 H new ATOM 0 HA MET A 1 31.450 -32.088 -5.633 1.00 45.54 H new ATOM 0 HB2 MET A 1 29.994 -34.088 -6.034 1.00 44.01 H new ATOM 0 HB3 MET A 1 28.745 -33.044 -6.684 1.00 44.01 H new ATOM 0 HG2 MET A 1 30.374 -32.315 -8.474 1.00 24.43 H new ATOM 0 HG3 MET A 1 31.511 -33.500 -7.862 1.00 24.43 H new ATOM 0 HE1 MET A 1 29.793 -36.901 -8.591 1.00 10.34 H new ATOM 0 HE2 MET A 1 30.978 -36.005 -7.612 1.00 10.34 H new ATOM 0 HE3 MET A 1 29.262 -36.015 -7.142 1.00 10.34 H new ATOM 20 N GLY A 2 30.954 -30.304 -7.423 1.00 62.11 N ATOM 21 CA GLY A 2 30.732 -29.125 -8.249 1.00 32.41 C ATOM 22 C GLY A 2 31.137 -27.822 -7.567 1.00 54.25 C ATOM 23 O GLY A 2 32.147 -27.212 -7.925 1.00 33.21 O ATOM 0 H GLY A 2 31.814 -30.811 -7.632 1.00 62.11 H new ATOM 0 HA2 GLY A 2 31.293 -29.230 -9.177 1.00 32.41 H new ATOM 0 HA3 GLY A 2 29.677 -29.073 -8.518 1.00 32.41 H new ATOM 27 N HIS A 3 30.354 -27.399 -6.577 1.00 43.21 N ATOM 28 CA HIS A 3 30.603 -26.137 -5.872 1.00 21.14 C ATOM 29 C HIS A 3 31.909 -26.200 -5.061 1.00 15.52 C ATOM 30 O HIS A 3 31.959 -26.801 -3.985 1.00 5.20 O ATOM 31 CB HIS A 3 29.414 -25.801 -4.953 1.00 22.44 C ATOM 32 CG HIS A 3 29.566 -24.530 -4.163 1.00 41.24 C ATOM 33 ND1 HIS A 3 28.926 -24.318 -2.962 1.00 0.34 N ATOM 34 CD2 HIS A 3 30.272 -23.398 -4.409 1.00 60.15 C ATOM 35 CE1 HIS A 3 29.227 -23.121 -2.505 1.00 63.31 C ATOM 36 NE2 HIS A 3 30.042 -22.542 -3.361 1.00 54.54 N ATOM 0 H HIS A 3 29.538 -27.911 -6.242 1.00 43.21 H new ATOM 0 HA HIS A 3 30.711 -25.347 -6.616 1.00 21.14 H new ATOM 0 HB2 HIS A 3 28.512 -25.728 -5.561 1.00 22.44 H new ATOM 0 HB3 HIS A 3 29.265 -26.628 -4.259 1.00 22.44 H new ATOM 0 HD2 HIS A 3 30.898 -23.206 -5.268 1.00 60.15 H new ATOM 0 HE1 HIS A 3 28.866 -22.687 -1.584 1.00 63.31 H new ATOM 0 HE2 HIS A 3 30.439 -21.608 -3.262 1.00 54.54 H new ATOM 45 N HIS A 4 32.970 -25.595 -5.597 1.00 43.00 N ATOM 46 CA HIS A 4 34.239 -25.486 -4.869 1.00 42.43 C ATOM 47 C HIS A 4 34.230 -24.266 -3.937 1.00 72.23 C ATOM 48 O HIS A 4 33.706 -23.209 -4.292 1.00 31.32 O ATOM 49 CB HIS A 4 35.431 -25.415 -5.838 1.00 43.11 C ATOM 50 CG HIS A 4 35.285 -24.410 -6.942 1.00 45.23 C ATOM 51 ND1 HIS A 4 35.007 -23.075 -6.731 1.00 74.23 N ATOM 52 CD2 HIS A 4 35.373 -24.560 -8.284 1.00 70.21 C ATOM 53 CE1 HIS A 4 34.931 -22.454 -7.890 1.00 63.23 C ATOM 54 NE2 HIS A 4 35.149 -23.330 -8.847 1.00 44.53 N ATOM 0 H HIS A 4 32.978 -25.175 -6.526 1.00 43.00 H new ATOM 0 HA HIS A 4 34.351 -26.384 -4.261 1.00 42.43 H new ATOM 0 HB2 HIS A 4 36.330 -25.180 -5.269 1.00 43.11 H new ATOM 0 HB3 HIS A 4 35.581 -26.400 -6.280 1.00 43.11 H new ATOM 0 HD1 HIS A 4 34.880 -22.637 -5.819 1.00 74.23 H new ATOM 0 HD2 HIS A 4 35.581 -25.478 -8.813 1.00 70.21 H new ATOM 0 HE1 HIS A 4 34.725 -21.403 -8.031 1.00 63.23 H new ATOM 63 N HIS A 5 34.818 -24.428 -2.753 1.00 74.43 N ATOM 64 CA HIS A 5 34.801 -23.398 -1.707 1.00 23.42 C ATOM 65 C HIS A 5 33.366 -23.121 -1.224 1.00 13.11 C ATOM 66 O HIS A 5 32.654 -22.277 -1.773 1.00 42.42 O ATOM 67 CB HIS A 5 35.473 -22.102 -2.183 1.00 3.31 C ATOM 68 CG HIS A 5 35.618 -21.075 -1.102 1.00 1.32 C ATOM 69 ND1 HIS A 5 34.853 -19.930 -1.035 1.00 74.32 N ATOM 70 CD2 HIS A 5 36.452 -21.027 -0.037 1.00 41.32 C ATOM 71 CE1 HIS A 5 35.210 -19.226 0.018 1.00 23.01 C ATOM 72 NE2 HIS A 5 36.177 -19.867 0.642 1.00 43.04 N ATOM 0 H HIS A 5 35.320 -25.275 -2.488 1.00 74.43 H new ATOM 0 HA HIS A 5 35.376 -23.782 -0.864 1.00 23.42 H new ATOM 0 HB2 HIS A 5 36.459 -22.339 -2.584 1.00 3.31 H new ATOM 0 HB3 HIS A 5 34.890 -21.678 -3.001 1.00 3.31 H new ATOM 0 HD2 HIS A 5 37.195 -21.764 0.229 1.00 41.32 H new ATOM 0 HE1 HIS A 5 34.782 -18.281 0.320 1.00 23.01 H new ATOM 0 HE2 HIS A 5 36.645 -19.552 1.492 1.00 43.04 H new ATOM 81 N HIS A 6 32.945 -23.849 -0.194 1.00 20.13 N ATOM 82 CA HIS A 6 31.586 -23.723 0.339 1.00 5.14 C ATOM 83 C HIS A 6 31.416 -22.455 1.194 1.00 55.43 C ATOM 84 O HIS A 6 31.647 -22.462 2.403 1.00 41.04 O ATOM 85 CB HIS A 6 31.197 -24.981 1.137 1.00 31.23 C ATOM 86 CG HIS A 6 32.206 -25.403 2.164 1.00 44.21 C ATOM 87 ND1 HIS A 6 33.234 -26.274 1.885 1.00 73.52 N ATOM 88 CD2 HIS A 6 32.336 -25.085 3.476 1.00 72.44 C ATOM 89 CE1 HIS A 6 33.950 -26.473 2.972 1.00 21.11 C ATOM 90 NE2 HIS A 6 33.429 -25.766 3.951 1.00 31.35 N ATOM 0 H HIS A 6 33.524 -24.534 0.291 1.00 20.13 H new ATOM 0 HA HIS A 6 30.910 -23.628 -0.511 1.00 5.14 H new ATOM 0 HB2 HIS A 6 30.244 -24.800 1.635 1.00 31.23 H new ATOM 0 HB3 HIS A 6 31.041 -25.804 0.440 1.00 31.23 H new ATOM 0 HD2 HIS A 6 31.699 -24.421 4.041 1.00 72.44 H new ATOM 0 HE1 HIS A 6 34.819 -27.110 3.047 1.00 21.11 H new ATOM 0 HE2 HIS A 6 33.780 -25.730 4.908 1.00 31.35 H new ATOM 99 N HIS A 7 31.042 -21.355 0.545 1.00 2.42 N ATOM 100 CA HIS A 7 30.728 -20.109 1.249 1.00 62.54 C ATOM 101 C HIS A 7 29.208 -19.903 1.352 1.00 44.13 C ATOM 102 O HIS A 7 28.539 -19.656 0.348 1.00 42.13 O ATOM 103 CB HIS A 7 31.380 -18.919 0.529 1.00 51.31 C ATOM 104 CG HIS A 7 30.947 -17.574 1.043 1.00 52.13 C ATOM 105 ND1 HIS A 7 31.493 -16.977 2.160 1.00 42.32 N ATOM 106 CD2 HIS A 7 30.006 -16.710 0.588 1.00 43.24 C ATOM 107 CE1 HIS A 7 30.910 -15.814 2.368 1.00 43.43 C ATOM 108 NE2 HIS A 7 30.007 -15.628 1.430 1.00 52.24 N ATOM 0 H HIS A 7 30.948 -21.299 -0.469 1.00 2.42 H new ATOM 0 HA HIS A 7 31.129 -20.176 2.260 1.00 62.54 H new ATOM 0 HB2 HIS A 7 32.463 -19.000 0.624 1.00 51.31 H new ATOM 0 HB3 HIS A 7 31.148 -18.981 -0.534 1.00 51.31 H new ATOM 0 HD2 HIS A 7 29.374 -16.848 -0.277 1.00 43.24 H new ATOM 0 HE1 HIS A 7 31.135 -15.129 3.172 1.00 43.43 H new ATOM 0 HE2 HIS A 7 29.404 -14.810 1.343 1.00 52.24 H new ATOM 117 N HIS A 8 28.671 -20.012 2.565 1.00 22.31 N ATOM 118 CA HIS A 8 27.249 -19.744 2.804 1.00 14.03 C ATOM 119 C HIS A 8 27.030 -19.113 4.182 1.00 24.02 C ATOM 120 O HIS A 8 27.339 -19.713 5.214 1.00 2.13 O ATOM 121 CB HIS A 8 26.416 -21.023 2.672 1.00 41.32 C ATOM 122 CG HIS A 8 24.937 -20.778 2.755 1.00 5.14 C ATOM 123 ND1 HIS A 8 24.228 -20.126 1.769 1.00 74.11 N ATOM 124 CD2 HIS A 8 24.031 -21.092 3.712 1.00 73.23 C ATOM 125 CE1 HIS A 8 22.959 -20.052 2.114 1.00 12.40 C ATOM 126 NE2 HIS A 8 22.810 -20.630 3.287 1.00 12.24 N ATOM 0 H HIS A 8 29.195 -20.283 3.397 1.00 22.31 H new ATOM 0 HA HIS A 8 26.919 -19.036 2.044 1.00 14.03 H new ATOM 0 HB2 HIS A 8 26.645 -21.501 1.720 1.00 41.32 H new ATOM 0 HB3 HIS A 8 26.707 -21.721 3.457 1.00 41.32 H new ATOM 0 HD2 HIS A 8 24.232 -21.610 4.638 1.00 73.23 H new ATOM 0 HE1 HIS A 8 22.173 -19.594 1.532 1.00 12.40 H new ATOM 0 HE2 HIS A 8 21.931 -20.720 3.797 1.00 12.24 H new ATOM 135 N SER A 9 26.480 -17.904 4.187 1.00 2.52 N ATOM 136 CA SER A 9 26.253 -17.158 5.426 1.00 5.42 C ATOM 137 C SER A 9 25.218 -17.854 6.322 1.00 42.12 C ATOM 138 O SER A 9 24.097 -18.140 5.892 1.00 62.53 O ATOM 139 CB SER A 9 25.795 -15.728 5.115 1.00 42.30 C ATOM 140 OG SER A 9 25.719 -14.944 6.295 1.00 62.41 O ATOM 0 H SER A 9 26.181 -17.415 3.344 1.00 2.52 H new ATOM 0 HA SER A 9 27.200 -17.123 5.965 1.00 5.42 H new ATOM 0 HB2 SER A 9 26.489 -15.266 4.413 1.00 42.30 H new ATOM 0 HB3 SER A 9 24.820 -15.754 4.629 1.00 42.30 H new ATOM 0 HG SER A 9 25.426 -14.037 6.067 1.00 62.41 H new ATOM 146 N HIS A 10 25.606 -18.123 7.567 1.00 15.14 N ATOM 147 CA HIS A 10 24.725 -18.792 8.534 1.00 24.32 C ATOM 148 C HIS A 10 23.681 -17.812 9.096 1.00 62.01 C ATOM 149 O HIS A 10 23.926 -17.120 10.087 1.00 41.51 O ATOM 150 CB HIS A 10 25.555 -19.408 9.672 1.00 31.24 C ATOM 151 CG HIS A 10 26.542 -20.439 9.203 1.00 1.12 C ATOM 152 ND1 HIS A 10 26.417 -21.784 9.478 1.00 53.21 N ATOM 153 CD2 HIS A 10 27.677 -20.317 8.471 1.00 51.24 C ATOM 154 CE1 HIS A 10 27.425 -22.439 8.937 1.00 22.42 C ATOM 155 NE2 HIS A 10 28.202 -21.576 8.323 1.00 65.03 N ATOM 0 H HIS A 10 26.528 -17.888 7.935 1.00 15.14 H new ATOM 0 HA HIS A 10 24.193 -19.591 8.017 1.00 24.32 H new ATOM 0 HB2 HIS A 10 26.091 -18.614 10.192 1.00 31.24 H new ATOM 0 HB3 HIS A 10 24.881 -19.865 10.397 1.00 31.24 H new ATOM 0 HD2 HIS A 10 28.091 -19.400 8.078 1.00 51.24 H new ATOM 0 HE1 HIS A 10 27.585 -23.506 8.990 1.00 22.42 H new ATOM 0 HE2 HIS A 10 29.058 -21.805 7.818 1.00 65.03 H new ATOM 164 N GLU A 11 22.519 -17.752 8.444 1.00 42.33 N ATOM 165 CA GLU A 11 21.465 -16.787 8.800 1.00 1.43 C ATOM 166 C GLU A 11 20.093 -17.469 8.900 1.00 34.24 C ATOM 167 O GLU A 11 19.898 -18.572 8.383 1.00 3.54 O ATOM 168 CB GLU A 11 21.383 -15.685 7.730 1.00 41.12 C ATOM 169 CG GLU A 11 22.721 -15.048 7.385 1.00 34.31 C ATOM 170 CD GLU A 11 22.634 -14.113 6.190 1.00 52.44 C ATOM 171 OE1 GLU A 11 22.304 -14.588 5.075 1.00 45.14 O ATOM 172 OE2 GLU A 11 22.902 -12.903 6.352 1.00 24.43 O ATOM 0 H GLU A 11 22.279 -18.361 7.662 1.00 42.33 H new ATOM 0 HA GLU A 11 21.722 -16.361 9.770 1.00 1.43 H new ATOM 0 HB2 GLU A 11 20.950 -16.107 6.823 1.00 41.12 H new ATOM 0 HB3 GLU A 11 20.702 -14.908 8.077 1.00 41.12 H new ATOM 0 HG2 GLU A 11 23.089 -14.494 8.249 1.00 34.31 H new ATOM 0 HG3 GLU A 11 23.449 -15.832 7.176 1.00 34.31 H new ATOM 179 N HIS A 12 19.144 -16.811 9.565 1.00 52.22 N ATOM 180 CA HIS A 12 17.740 -17.235 9.529 1.00 31.33 C ATOM 181 C HIS A 12 16.928 -16.243 8.684 1.00 71.13 C ATOM 182 O HIS A 12 16.689 -15.113 9.105 1.00 12.12 O ATOM 183 CB HIS A 12 17.164 -17.298 10.951 1.00 15.04 C ATOM 184 CG HIS A 12 17.961 -18.158 11.884 1.00 12.14 C ATOM 185 ND1 HIS A 12 18.718 -17.650 12.922 1.00 12.44 N ATOM 186 CD2 HIS A 12 18.113 -19.503 11.939 1.00 35.11 C ATOM 187 CE1 HIS A 12 19.296 -18.642 13.569 1.00 41.31 C ATOM 188 NE2 HIS A 12 18.946 -19.773 12.995 1.00 20.13 N ATOM 0 H HIS A 12 19.319 -15.983 10.135 1.00 52.22 H new ATOM 0 HA HIS A 12 17.681 -18.228 9.084 1.00 31.33 H new ATOM 0 HB2 HIS A 12 17.111 -16.288 11.357 1.00 15.04 H new ATOM 0 HB3 HIS A 12 16.143 -17.677 10.904 1.00 15.04 H new ATOM 0 HD2 HIS A 12 17.663 -20.227 11.276 1.00 35.11 H new ATOM 0 HE1 HIS A 12 19.947 -18.543 14.425 1.00 41.31 H new ATOM 0 HE2 HIS A 12 19.246 -20.703 13.288 1.00 20.13 H new ATOM 197 N LYS A 13 16.511 -16.662 7.491 1.00 52.34 N ATOM 198 CA LYS A 13 15.760 -15.780 6.587 1.00 51.31 C ATOM 199 C LYS A 13 14.359 -16.322 6.260 1.00 12.32 C ATOM 200 O LYS A 13 14.152 -17.532 6.129 1.00 31.24 O ATOM 201 CB LYS A 13 16.587 -15.501 5.323 1.00 54.11 C ATOM 202 CG LYS A 13 17.839 -14.682 5.632 1.00 4.14 C ATOM 203 CD LYS A 13 18.674 -14.358 4.399 1.00 43.42 C ATOM 204 CE LYS A 13 19.281 -15.601 3.760 1.00 3.41 C ATOM 205 NZ LYS A 13 20.365 -15.245 2.806 1.00 44.34 N ATOM 0 H LYS A 13 16.677 -17.600 7.125 1.00 52.34 H new ATOM 0 HA LYS A 13 15.591 -14.835 7.102 1.00 51.31 H new ATOM 0 HB2 LYS A 13 16.876 -16.446 4.862 1.00 54.11 H new ATOM 0 HB3 LYS A 13 15.973 -14.967 4.598 1.00 54.11 H new ATOM 0 HG2 LYS A 13 17.544 -13.751 6.116 1.00 4.14 H new ATOM 0 HG3 LYS A 13 18.455 -15.230 6.344 1.00 4.14 H new ATOM 0 HD2 LYS A 13 18.050 -13.845 3.667 1.00 43.42 H new ATOM 0 HD3 LYS A 13 19.472 -13.669 4.676 1.00 43.42 H new ATOM 0 HE2 LYS A 13 19.678 -16.255 4.537 1.00 3.41 H new ATOM 0 HE3 LYS A 13 18.504 -16.160 3.239 1.00 3.41 H new ATOM 0 HZ1 LYS A 13 20.583 -16.066 2.206 1.00 44.34 H new ATOM 0 HZ2 LYS A 13 20.055 -14.452 2.208 1.00 44.34 H new ATOM 0 HZ3 LYS A 13 21.216 -14.967 3.335 1.00 44.34 H new ATOM 219 N ARG A 14 13.407 -15.408 6.114 1.00 60.20 N ATOM 220 CA ARG A 14 11.988 -15.756 5.978 1.00 43.31 C ATOM 221 C ARG A 14 11.360 -15.032 4.771 1.00 43.32 C ATOM 222 O ARG A 14 11.552 -13.827 4.592 1.00 12.00 O ATOM 223 CB ARG A 14 11.270 -15.359 7.280 1.00 32.14 C ATOM 224 CG ARG A 14 9.799 -15.753 7.383 1.00 25.13 C ATOM 225 CD ARG A 14 9.602 -17.254 7.601 1.00 32.43 C ATOM 226 NE ARG A 14 8.315 -17.534 8.244 1.00 74.42 N ATOM 227 CZ ARG A 14 7.534 -18.541 7.956 1.00 31.44 C ATOM 228 NH1 ARG A 14 7.845 -19.382 7.021 1.00 23.33 N ATOM 229 NH2 ARG A 14 6.430 -18.702 8.611 1.00 24.43 N ATOM 0 H ARG A 14 13.591 -14.405 6.086 1.00 60.20 H new ATOM 0 HA ARG A 14 11.885 -16.827 5.805 1.00 43.31 H new ATOM 0 HB2 ARG A 14 11.805 -15.808 8.117 1.00 32.14 H new ATOM 0 HB3 ARG A 14 11.345 -14.278 7.397 1.00 32.14 H new ATOM 0 HG2 ARG A 14 9.338 -15.207 8.206 1.00 25.13 H new ATOM 0 HG3 ARG A 14 9.282 -15.452 6.472 1.00 25.13 H new ATOM 0 HD2 ARG A 14 9.653 -17.773 6.644 1.00 32.43 H new ATOM 0 HD3 ARG A 14 10.412 -17.643 8.218 1.00 32.43 H new ATOM 0 HE ARG A 14 8.005 -16.892 8.974 1.00 74.42 H new ATOM 0 HH11 ARG A 14 8.712 -19.264 6.496 1.00 23.33 H new ATOM 0 HH12 ARG A 14 7.223 -20.163 6.810 1.00 23.33 H new ATOM 0 HH21 ARG A 14 6.174 -18.045 9.348 1.00 24.43 H new ATOM 0 HH22 ARG A 14 5.816 -19.486 8.391 1.00 24.43 H new ATOM 243 N ALA A 15 10.626 -15.771 3.941 1.00 24.20 N ATOM 244 CA ALA A 15 9.950 -15.188 2.773 1.00 74.23 C ATOM 245 C ALA A 15 8.738 -14.334 3.194 1.00 32.52 C ATOM 246 O ALA A 15 8.110 -14.604 4.217 1.00 62.23 O ATOM 247 CB ALA A 15 9.520 -16.293 1.812 1.00 42.41 C ATOM 0 H ALA A 15 10.481 -16.775 4.052 1.00 24.20 H new ATOM 0 HA ALA A 15 10.656 -14.531 2.265 1.00 74.23 H new ATOM 0 HB1 ALA A 15 9.020 -15.851 0.950 1.00 42.41 H new ATOM 0 HB2 ALA A 15 10.398 -16.847 1.478 1.00 42.41 H new ATOM 0 HB3 ALA A 15 8.835 -16.971 2.321 1.00 42.41 H new ATOM 253 N PRO A 16 8.394 -13.283 2.416 1.00 41.54 N ATOM 254 CA PRO A 16 7.268 -12.388 2.747 1.00 52.23 C ATOM 255 C PRO A 16 5.897 -13.094 2.708 1.00 42.55 C ATOM 256 O PRO A 16 5.524 -13.705 1.704 1.00 72.43 O ATOM 257 CB PRO A 16 7.358 -11.290 1.672 1.00 55.13 C ATOM 258 CG PRO A 16 8.091 -11.925 0.538 1.00 12.43 C ATOM 259 CD PRO A 16 9.070 -12.879 1.169 1.00 35.32 C ATOM 0 HA PRO A 16 7.341 -12.011 3.767 1.00 52.23 H new ATOM 0 HB2 PRO A 16 6.367 -10.955 1.365 1.00 55.13 H new ATOM 0 HB3 PRO A 16 7.889 -10.414 2.045 1.00 55.13 H new ATOM 0 HG2 PRO A 16 7.405 -12.451 -0.126 1.00 12.43 H new ATOM 0 HG3 PRO A 16 8.606 -11.176 -0.063 1.00 12.43 H new ATOM 0 HD2 PRO A 16 9.270 -13.735 0.524 1.00 35.32 H new ATOM 0 HD3 PRO A 16 10.028 -12.399 1.368 1.00 35.32 H new ATOM 267 N MET A 17 5.149 -12.988 3.808 1.00 11.43 N ATOM 268 CA MET A 17 3.836 -13.639 3.936 1.00 52.35 C ATOM 269 C MET A 17 2.743 -12.650 4.382 1.00 65.34 C ATOM 270 O MET A 17 2.881 -11.981 5.406 1.00 25.15 O ATOM 271 CB MET A 17 3.940 -14.801 4.937 1.00 71.31 C ATOM 272 CG MET A 17 2.599 -15.371 5.379 1.00 65.33 C ATOM 273 SD MET A 17 1.573 -15.905 3.997 1.00 24.22 S ATOM 274 CE MET A 17 0.126 -16.500 4.872 1.00 21.13 C ATOM 0 H MET A 17 5.430 -12.454 4.631 1.00 11.43 H new ATOM 0 HA MET A 17 3.548 -14.017 2.955 1.00 52.35 H new ATOM 0 HB2 MET A 17 4.531 -15.600 4.488 1.00 71.31 H new ATOM 0 HB3 MET A 17 4.484 -14.459 5.817 1.00 71.31 H new ATOM 0 HG2 MET A 17 2.771 -16.217 6.045 1.00 65.33 H new ATOM 0 HG3 MET A 17 2.061 -14.617 5.954 1.00 65.33 H new ATOM 0 HE1 MET A 17 -0.629 -16.817 4.153 1.00 21.13 H new ATOM 0 HE2 MET A 17 0.404 -17.344 5.503 1.00 21.13 H new ATOM 0 HE3 MET A 17 -0.278 -15.701 5.493 1.00 21.13 H new ATOM 284 N PHE A 18 1.654 -12.572 3.610 1.00 71.22 N ATOM 285 CA PHE A 18 0.503 -11.729 3.968 1.00 73.32 C ATOM 286 C PHE A 18 -0.351 -12.393 5.062 1.00 72.54 C ATOM 287 O PHE A 18 -1.067 -13.362 4.803 1.00 11.23 O ATOM 288 CB PHE A 18 -0.373 -11.444 2.736 1.00 2.01 C ATOM 289 CG PHE A 18 0.229 -10.471 1.750 1.00 22.52 C ATOM 290 CD1 PHE A 18 0.065 -9.103 1.922 1.00 11.24 C ATOM 291 CD2 PHE A 18 0.947 -10.920 0.651 1.00 25.14 C ATOM 292 CE1 PHE A 18 0.602 -8.205 1.019 1.00 61.14 C ATOM 293 CE2 PHE A 18 1.488 -10.025 -0.254 1.00 11.42 C ATOM 294 CZ PHE A 18 1.315 -8.667 -0.070 1.00 43.22 C ATOM 0 H PHE A 18 1.543 -13.081 2.733 1.00 71.22 H new ATOM 0 HA PHE A 18 0.896 -10.787 4.351 1.00 73.32 H new ATOM 0 HB2 PHE A 18 -0.573 -12.385 2.223 1.00 2.01 H new ATOM 0 HB3 PHE A 18 -1.334 -11.054 3.072 1.00 2.01 H new ATOM 0 HD1 PHE A 18 -0.490 -8.736 2.773 1.00 11.24 H new ATOM 0 HD2 PHE A 18 1.085 -11.981 0.501 1.00 25.14 H new ATOM 0 HE1 PHE A 18 0.464 -7.144 1.165 1.00 61.14 H new ATOM 0 HE2 PHE A 18 2.046 -10.388 -1.105 1.00 11.42 H new ATOM 0 HZ PHE A 18 1.737 -7.967 -0.777 1.00 43.22 H new ATOM 304 N ILE A 19 -0.265 -11.872 6.284 1.00 64.04 N ATOM 305 CA ILE A 19 -1.031 -12.410 7.416 1.00 24.31 C ATOM 306 C ILE A 19 -2.476 -11.867 7.428 1.00 24.03 C ATOM 307 O ILE A 19 -3.421 -12.582 7.770 1.00 74.15 O ATOM 308 CB ILE A 19 -0.349 -12.067 8.767 1.00 44.13 C ATOM 309 CG1 ILE A 19 1.156 -12.391 8.715 1.00 1.53 C ATOM 310 CG2 ILE A 19 -1.018 -12.828 9.912 1.00 53.20 C ATOM 311 CD1 ILE A 19 1.907 -12.000 9.975 1.00 10.03 C ATOM 0 H ILE A 19 0.328 -11.076 6.520 1.00 64.04 H new ATOM 0 HA ILE A 19 -1.060 -13.493 7.292 1.00 24.31 H new ATOM 0 HB ILE A 19 -0.464 -10.998 8.946 1.00 44.13 H new ATOM 0 HG12 ILE A 19 1.283 -13.460 8.544 1.00 1.53 H new ATOM 0 HG13 ILE A 19 1.600 -11.877 7.863 1.00 1.53 H new ATOM 0 HG21 ILE A 19 -0.527 -12.576 10.852 1.00 53.20 H new ATOM 0 HG22 ILE A 19 -2.071 -12.551 9.967 1.00 53.20 H new ATOM 0 HG23 ILE A 19 -0.933 -13.900 9.735 1.00 53.20 H new ATOM 0 HD11 ILE A 19 2.960 -12.258 9.866 1.00 10.03 H new ATOM 0 HD12 ILE A 19 1.811 -10.926 10.137 1.00 10.03 H new ATOM 0 HD13 ILE A 19 1.489 -12.534 10.828 1.00 10.03 H new ATOM 323 N TYR A 20 -2.636 -10.594 7.057 1.00 60.32 N ATOM 324 CA TYR A 20 -3.958 -9.946 7.008 1.00 4.12 C ATOM 325 C TYR A 20 -4.134 -9.181 5.688 1.00 34.01 C ATOM 326 O TYR A 20 -3.162 -8.677 5.118 1.00 73.35 O ATOM 327 CB TYR A 20 -4.144 -8.978 8.190 1.00 20.01 C ATOM 328 CG TYR A 20 -3.854 -9.595 9.548 1.00 54.41 C ATOM 329 CD1 TYR A 20 -4.809 -10.351 10.224 1.00 72.22 C ATOM 330 CD2 TYR A 20 -2.617 -9.424 10.149 1.00 34.13 C ATOM 331 CE1 TYR A 20 -4.532 -10.911 11.459 1.00 61.23 C ATOM 332 CE2 TYR A 20 -2.333 -9.979 11.382 1.00 51.23 C ATOM 333 CZ TYR A 20 -3.291 -10.722 12.033 1.00 62.12 C ATOM 334 OH TYR A 20 -3.000 -11.284 13.260 1.00 43.41 O ATOM 0 H TYR A 20 -1.864 -9.985 6.784 1.00 60.32 H new ATOM 0 HA TYR A 20 -4.713 -10.730 7.074 1.00 4.12 H new ATOM 0 HB2 TYR A 20 -3.491 -8.117 8.047 1.00 20.01 H new ATOM 0 HB3 TYR A 20 -5.168 -8.606 8.183 1.00 20.01 H new ATOM 0 HD1 TYR A 20 -5.781 -10.502 9.777 1.00 72.22 H new ATOM 0 HD2 TYR A 20 -1.859 -8.845 9.643 1.00 34.13 H new ATOM 0 HE1 TYR A 20 -5.284 -11.493 11.971 1.00 61.23 H new ATOM 0 HE2 TYR A 20 -1.363 -9.830 11.833 1.00 51.23 H new ATOM 0 HH TYR A 20 -2.083 -11.053 13.517 1.00 43.41 H new ATOM 344 N LYS A 21 -5.373 -9.084 5.219 1.00 23.53 N ATOM 345 CA LYS A 21 -5.674 -8.458 3.927 1.00 0.20 C ATOM 346 C LYS A 21 -5.934 -6.946 4.069 1.00 60.22 C ATOM 347 O LYS A 21 -6.489 -6.491 5.069 1.00 21.53 O ATOM 348 CB LYS A 21 -6.903 -9.135 3.299 1.00 54.33 C ATOM 349 CG LYS A 21 -8.201 -8.897 4.077 1.00 33.11 C ATOM 350 CD LYS A 21 -9.380 -9.668 3.486 1.00 1.40 C ATOM 351 CE LYS A 21 -9.182 -11.175 3.599 1.00 0.52 C ATOM 352 NZ LYS A 21 -8.960 -11.604 5.006 1.00 21.20 N ATOM 0 H LYS A 21 -6.194 -9.432 5.715 1.00 23.53 H new ATOM 0 HA LYS A 21 -4.804 -8.588 3.283 1.00 0.20 H new ATOM 0 HB2 LYS A 21 -7.028 -8.768 2.280 1.00 54.33 H new ATOM 0 HB3 LYS A 21 -6.721 -10.208 3.232 1.00 54.33 H new ATOM 0 HG2 LYS A 21 -8.059 -9.195 5.116 1.00 33.11 H new ATOM 0 HG3 LYS A 21 -8.431 -7.831 4.079 1.00 33.11 H new ATOM 0 HD2 LYS A 21 -10.297 -9.382 4.001 1.00 1.40 H new ATOM 0 HD3 LYS A 21 -9.505 -9.395 2.438 1.00 1.40 H new ATOM 0 HE2 LYS A 21 -10.057 -11.687 3.198 1.00 0.52 H new ATOM 0 HE3 LYS A 21 -8.330 -11.475 2.990 1.00 0.52 H new ATOM 0 HZ1 LYS A 21 -9.083 -12.634 5.078 1.00 21.20 H new ATOM 0 HZ2 LYS A 21 -7.995 -11.349 5.299 1.00 21.20 H new ATOM 0 HZ3 LYS A 21 -9.647 -11.129 5.626 1.00 21.20 H new ATOM 366 N PRO A 22 -5.519 -6.143 3.071 1.00 54.20 N ATOM 367 CA PRO A 22 -5.844 -4.707 3.021 1.00 64.30 C ATOM 368 C PRO A 22 -7.267 -4.447 2.481 1.00 33.11 C ATOM 369 O PRO A 22 -7.625 -4.898 1.385 1.00 34.12 O ATOM 370 CB PRO A 22 -4.778 -4.156 2.067 1.00 71.43 C ATOM 371 CG PRO A 22 -4.496 -5.286 1.131 1.00 30.41 C ATOM 372 CD PRO A 22 -4.673 -6.556 1.931 1.00 61.22 C ATOM 0 HA PRO A 22 -5.838 -4.238 4.005 1.00 64.30 H new ATOM 0 HB2 PRO A 22 -5.140 -3.278 1.532 1.00 71.43 H new ATOM 0 HB3 PRO A 22 -3.880 -3.854 2.606 1.00 71.43 H new ATOM 0 HG2 PRO A 22 -5.177 -5.265 0.280 1.00 30.41 H new ATOM 0 HG3 PRO A 22 -3.484 -5.216 0.731 1.00 30.41 H new ATOM 0 HD2 PRO A 22 -5.152 -7.337 1.340 1.00 61.22 H new ATOM 0 HD3 PRO A 22 -3.715 -6.953 2.267 1.00 61.22 H new ATOM 380 N GLN A 23 -8.072 -3.712 3.244 1.00 0.25 N ATOM 381 CA GLN A 23 -9.483 -3.492 2.895 1.00 75.12 C ATOM 382 C GLN A 23 -9.681 -2.216 2.063 1.00 23.23 C ATOM 383 O GLN A 23 -9.084 -1.176 2.344 1.00 15.40 O ATOM 384 CB GLN A 23 -10.343 -3.425 4.169 1.00 72.45 C ATOM 385 CG GLN A 23 -9.856 -2.401 5.192 1.00 61.22 C ATOM 386 CD GLN A 23 -10.794 -2.248 6.378 1.00 30.14 C ATOM 387 OE1 GLN A 23 -12.003 -2.397 6.253 1.00 64.32 O ATOM 388 NE2 GLN A 23 -10.246 -1.941 7.535 1.00 20.43 N ATOM 0 H GLN A 23 -7.777 -3.257 4.108 1.00 0.25 H new ATOM 0 HA GLN A 23 -9.800 -4.337 2.284 1.00 75.12 H new ATOM 0 HB2 GLN A 23 -11.369 -3.186 3.890 1.00 72.45 H new ATOM 0 HB3 GLN A 23 -10.361 -4.410 4.636 1.00 72.45 H new ATOM 0 HG2 GLN A 23 -8.871 -2.697 5.552 1.00 61.22 H new ATOM 0 HG3 GLN A 23 -9.739 -1.434 4.702 1.00 61.22 H new ATOM 0 HE21 GLN A 23 -9.235 -1.824 7.605 1.00 20.43 H new ATOM 0 HE22 GLN A 23 -10.832 -1.820 8.361 1.00 20.43 H new ATOM 397 N SER A 24 -10.533 -2.303 1.043 1.00 32.34 N ATOM 398 CA SER A 24 -10.854 -1.149 0.193 1.00 2.45 C ATOM 399 C SER A 24 -11.673 -0.107 0.966 1.00 1.43 C ATOM 400 O SER A 24 -12.712 -0.426 1.548 1.00 44.32 O ATOM 401 CB SER A 24 -11.637 -1.593 -1.053 1.00 11.01 C ATOM 402 OG SER A 24 -12.894 -2.153 -0.704 1.00 64.44 O ATOM 0 H SER A 24 -11.017 -3.162 0.781 1.00 32.34 H new ATOM 0 HA SER A 24 -9.912 -0.697 -0.118 1.00 2.45 H new ATOM 0 HB2 SER A 24 -11.788 -0.739 -1.713 1.00 11.01 H new ATOM 0 HB3 SER A 24 -11.053 -2.326 -1.610 1.00 11.01 H new ATOM 0 HG SER A 24 -13.177 -1.804 0.167 1.00 64.44 H new ATOM 408 N LYS A 25 -11.212 1.137 0.955 1.00 5.24 N ATOM 409 CA LYS A 25 -11.874 2.218 1.698 1.00 44.45 C ATOM 410 C LYS A 25 -12.418 3.288 0.740 1.00 13.22 C ATOM 411 O LYS A 25 -11.803 3.580 -0.288 1.00 73.35 O ATOM 412 CB LYS A 25 -10.879 2.867 2.676 1.00 3.30 C ATOM 413 CG LYS A 25 -10.194 1.903 3.655 1.00 54.02 C ATOM 414 CD LYS A 25 -11.013 1.635 4.923 1.00 2.34 C ATOM 415 CE LYS A 25 -12.191 0.696 4.690 1.00 72.44 C ATOM 416 NZ LYS A 25 -12.904 0.377 5.957 1.00 73.24 N ATOM 0 H LYS A 25 -10.381 1.430 0.441 1.00 5.24 H new ATOM 0 HA LYS A 25 -12.708 1.788 2.253 1.00 44.45 H new ATOM 0 HB2 LYS A 25 -10.109 3.379 2.098 1.00 3.30 H new ATOM 0 HB3 LYS A 25 -11.405 3.629 3.251 1.00 3.30 H new ATOM 0 HG2 LYS A 25 -10.004 0.957 3.148 1.00 54.02 H new ATOM 0 HG3 LYS A 25 -9.225 2.313 3.938 1.00 54.02 H new ATOM 0 HD2 LYS A 25 -10.361 1.208 5.685 1.00 2.34 H new ATOM 0 HD3 LYS A 25 -11.384 2.582 5.315 1.00 2.34 H new ATOM 0 HE2 LYS A 25 -12.887 1.154 3.987 1.00 72.44 H new ATOM 0 HE3 LYS A 25 -11.835 -0.226 4.231 1.00 72.44 H new ATOM 0 HZ1 LYS A 25 -12.774 -0.629 6.185 1.00 73.24 H new ATOM 0 HZ2 LYS A 25 -12.519 0.959 6.728 1.00 73.24 H new ATOM 0 HZ3 LYS A 25 -13.918 0.578 5.845 1.00 73.24 H new ATOM 430 N LYS A 26 -13.567 3.868 1.079 1.00 11.01 N ATOM 431 CA LYS A 26 -14.161 4.935 0.263 1.00 50.33 C ATOM 432 C LYS A 26 -14.227 6.268 1.033 1.00 73.13 C ATOM 433 O LYS A 26 -14.858 6.366 2.088 1.00 54.10 O ATOM 434 CB LYS A 26 -15.556 4.518 -0.235 1.00 15.13 C ATOM 435 CG LYS A 26 -16.513 4.078 0.867 1.00 14.12 C ATOM 436 CD LYS A 26 -17.868 3.662 0.303 1.00 31.22 C ATOM 437 CE LYS A 26 -18.802 3.154 1.395 1.00 73.54 C ATOM 438 NZ LYS A 26 -20.116 2.722 0.848 1.00 14.32 N ATOM 0 H LYS A 26 -14.107 3.622 1.909 1.00 11.01 H new ATOM 0 HA LYS A 26 -13.517 5.091 -0.602 1.00 50.33 H new ATOM 0 HB2 LYS A 26 -16.001 5.355 -0.773 1.00 15.13 H new ATOM 0 HB3 LYS A 26 -15.444 3.702 -0.950 1.00 15.13 H new ATOM 0 HG2 LYS A 26 -16.076 3.245 1.417 1.00 14.12 H new ATOM 0 HG3 LYS A 26 -16.649 4.893 1.578 1.00 14.12 H new ATOM 0 HD2 LYS A 26 -18.328 4.511 -0.203 1.00 31.22 H new ATOM 0 HD3 LYS A 26 -17.727 2.883 -0.446 1.00 31.22 H new ATOM 0 HE2 LYS A 26 -18.333 2.318 1.913 1.00 73.54 H new ATOM 0 HE3 LYS A 26 -18.958 3.940 2.134 1.00 73.54 H new ATOM 0 HZ1 LYS A 26 -20.721 2.384 1.624 1.00 14.32 H new ATOM 0 HZ2 LYS A 26 -20.576 3.526 0.375 1.00 14.32 H new ATOM 0 HZ3 LYS A 26 -19.971 1.954 0.162 1.00 14.32 H new ATOM 452 N VAL A 27 -13.568 7.294 0.496 1.00 45.22 N ATOM 453 CA VAL A 27 -13.506 8.616 1.142 1.00 13.44 C ATOM 454 C VAL A 27 -13.970 9.736 0.193 1.00 12.34 C ATOM 455 O VAL A 27 -14.288 9.486 -0.969 1.00 5.55 O ATOM 456 CB VAL A 27 -12.069 8.931 1.637 1.00 5.42 C ATOM 457 CG1 VAL A 27 -11.640 7.947 2.726 1.00 54.41 C ATOM 458 CG2 VAL A 27 -11.081 8.909 0.471 1.00 32.45 C ATOM 0 H VAL A 27 -13.065 7.240 -0.390 1.00 45.22 H new ATOM 0 HA VAL A 27 -14.182 8.578 1.996 1.00 13.44 H new ATOM 0 HB VAL A 27 -12.070 9.933 2.067 1.00 5.42 H new ATOM 0 HG11 VAL A 27 -10.630 8.188 3.057 1.00 54.41 H new ATOM 0 HG12 VAL A 27 -12.325 8.018 3.571 1.00 54.41 H new ATOM 0 HG13 VAL A 27 -11.659 6.933 2.328 1.00 54.41 H new ATOM 0 HG21 VAL A 27 -10.079 9.132 0.839 1.00 32.45 H new ATOM 0 HG22 VAL A 27 -11.086 7.922 0.008 1.00 32.45 H new ATOM 0 HG23 VAL A 27 -11.372 9.657 -0.267 1.00 32.45 H new ATOM 468 N LEU A 28 -14.013 10.969 0.697 1.00 10.02 N ATOM 469 CA LEU A 28 -14.452 12.124 -0.104 1.00 33.33 C ATOM 470 C LEU A 28 -13.257 12.911 -0.672 1.00 12.33 C ATOM 471 O LEU A 28 -12.139 12.817 -0.165 1.00 53.54 O ATOM 472 CB LEU A 28 -15.326 13.053 0.749 1.00 22.33 C ATOM 473 CG LEU A 28 -16.622 12.432 1.294 1.00 25.24 C ATOM 474 CD1 LEU A 28 -17.341 13.408 2.223 1.00 12.41 C ATOM 475 CD2 LEU A 28 -17.541 12.000 0.151 1.00 70.23 C ATOM 0 H LEU A 28 -13.750 11.199 1.655 1.00 10.02 H new ATOM 0 HA LEU A 28 -15.032 11.742 -0.944 1.00 33.33 H new ATOM 0 HB2 LEU A 28 -14.732 13.408 1.591 1.00 22.33 H new ATOM 0 HB3 LEU A 28 -15.586 13.927 0.152 1.00 22.33 H new ATOM 0 HG LEU A 28 -16.356 11.546 1.870 1.00 25.24 H new ATOM 0 HD11 LEU A 28 -18.255 12.948 2.597 1.00 12.41 H new ATOM 0 HD12 LEU A 28 -16.691 13.658 3.062 1.00 12.41 H new ATOM 0 HD13 LEU A 28 -17.590 14.316 1.674 1.00 12.41 H new ATOM 0 HD21 LEU A 28 -18.452 11.564 0.561 1.00 70.23 H new ATOM 0 HD22 LEU A 28 -17.797 12.867 -0.458 1.00 70.23 H new ATOM 0 HD23 LEU A 28 -17.031 11.261 -0.467 1.00 70.23 H new ATOM 487 N GLU A 29 -13.507 13.693 -1.727 1.00 42.21 N ATOM 488 CA GLU A 29 -12.452 14.497 -2.366 1.00 74.32 C ATOM 489 C GLU A 29 -11.884 15.559 -1.413 1.00 22.12 C ATOM 490 O GLU A 29 -12.570 16.517 -1.049 1.00 54.53 O ATOM 491 CB GLU A 29 -12.972 15.176 -3.642 1.00 32.13 C ATOM 492 CG GLU A 29 -13.382 14.200 -4.739 1.00 4.22 C ATOM 493 CD GLU A 29 -13.617 14.886 -6.080 1.00 1.35 C ATOM 494 OE1 GLU A 29 -14.674 15.527 -6.249 1.00 25.13 O ATOM 495 OE2 GLU A 29 -12.748 14.777 -6.974 1.00 34.25 O ATOM 0 H GLU A 29 -14.427 13.789 -2.158 1.00 42.21 H new ATOM 0 HA GLU A 29 -11.649 13.808 -2.628 1.00 74.32 H new ATOM 0 HB2 GLU A 29 -13.828 15.800 -3.386 1.00 32.13 H new ATOM 0 HB3 GLU A 29 -12.199 15.839 -4.030 1.00 32.13 H new ATOM 0 HG2 GLU A 29 -12.607 13.443 -4.854 1.00 4.22 H new ATOM 0 HG3 GLU A 29 -14.292 13.681 -4.437 1.00 4.22 H new ATOM 502 N GLY A 30 -10.621 15.385 -1.029 1.00 50.52 N ATOM 503 CA GLY A 30 -9.971 16.294 -0.091 1.00 42.30 C ATOM 504 C GLY A 30 -9.661 15.628 1.246 1.00 12.24 C ATOM 505 O GLY A 30 -8.883 16.150 2.048 1.00 54.30 O ATOM 0 H GLY A 30 -10.028 14.622 -1.354 1.00 50.52 H new ATOM 0 HA2 GLY A 30 -9.046 16.666 -0.532 1.00 42.30 H new ATOM 0 HA3 GLY A 30 -10.614 17.158 0.077 1.00 42.30 H new ATOM 509 N ASP A 31 -10.276 14.472 1.483 1.00 72.12 N ATOM 510 CA ASP A 31 -10.068 13.715 2.719 1.00 15.23 C ATOM 511 C ASP A 31 -8.853 12.773 2.619 1.00 31.00 C ATOM 512 O ASP A 31 -8.133 12.760 1.614 1.00 14.45 O ATOM 513 CB ASP A 31 -11.338 12.928 3.064 1.00 52.25 C ATOM 514 CG ASP A 31 -12.486 13.846 3.440 1.00 62.11 C ATOM 515 OD1 ASP A 31 -13.039 14.519 2.545 1.00 31.41 O ATOM 516 OD2 ASP A 31 -12.827 13.914 4.639 1.00 44.34 O ATOM 0 H ASP A 31 -10.928 14.035 0.831 1.00 72.12 H new ATOM 0 HA ASP A 31 -9.856 14.425 3.518 1.00 15.23 H new ATOM 0 HB2 ASP A 31 -11.628 12.314 2.211 1.00 52.25 H new ATOM 0 HB3 ASP A 31 -11.131 12.248 3.890 1.00 52.25 H new ATOM 521 N SER A 32 -8.628 11.994 3.675 1.00 45.22 N ATOM 522 CA SER A 32 -7.478 11.082 3.751 1.00 14.41 C ATOM 523 C SER A 32 -7.925 9.633 3.976 1.00 52.40 C ATOM 524 O SER A 32 -9.013 9.375 4.491 1.00 34.13 O ATOM 525 CB SER A 32 -6.530 11.521 4.878 1.00 54.14 C ATOM 526 OG SER A 32 -7.215 11.634 6.119 1.00 62.25 O ATOM 0 H SER A 32 -9.230 11.973 4.498 1.00 45.22 H new ATOM 0 HA SER A 32 -6.952 11.127 2.797 1.00 14.41 H new ATOM 0 HB2 SER A 32 -5.718 10.800 4.974 1.00 54.14 H new ATOM 0 HB3 SER A 32 -6.078 12.479 4.622 1.00 54.14 H new ATOM 0 HG SER A 32 -6.585 11.913 6.816 1.00 62.25 H new ATOM 532 N VAL A 33 -7.074 8.688 3.584 1.00 21.22 N ATOM 533 CA VAL A 33 -7.380 7.260 3.710 1.00 65.21 C ATOM 534 C VAL A 33 -6.161 6.460 4.212 1.00 42.23 C ATOM 535 O VAL A 33 -5.012 6.858 4.007 1.00 74.02 O ATOM 536 CB VAL A 33 -7.860 6.680 2.355 1.00 22.41 C ATOM 537 CG1 VAL A 33 -6.772 6.805 1.292 1.00 20.50 C ATOM 538 CG2 VAL A 33 -8.310 5.229 2.505 1.00 12.31 C ATOM 0 H VAL A 33 -6.161 8.884 3.174 1.00 21.22 H new ATOM 0 HA VAL A 33 -8.179 7.166 4.445 1.00 65.21 H new ATOM 0 HB VAL A 33 -8.720 7.264 2.029 1.00 22.41 H new ATOM 0 HG11 VAL A 33 -7.134 6.391 0.351 1.00 20.50 H new ATOM 0 HG12 VAL A 33 -6.519 7.856 1.153 1.00 20.50 H new ATOM 0 HG13 VAL A 33 -5.886 6.258 1.612 1.00 20.50 H new ATOM 0 HG21 VAL A 33 -8.641 4.849 1.539 1.00 12.31 H new ATOM 0 HG22 VAL A 33 -7.477 4.625 2.866 1.00 12.31 H new ATOM 0 HG23 VAL A 33 -9.133 5.175 3.217 1.00 12.31 H new ATOM 548 N LYS A 34 -6.426 5.331 4.874 1.00 31.51 N ATOM 549 CA LYS A 34 -5.367 4.468 5.417 1.00 11.05 C ATOM 550 C LYS A 34 -5.528 3.009 4.948 1.00 72.13 C ATOM 551 O LYS A 34 -6.551 2.373 5.197 1.00 70.04 O ATOM 552 CB LYS A 34 -5.377 4.542 6.954 1.00 40.10 C ATOM 553 CG LYS A 34 -6.719 4.160 7.586 1.00 63.13 C ATOM 554 CD LYS A 34 -6.708 4.317 9.108 1.00 23.21 C ATOM 555 CE LYS A 34 -6.469 5.764 9.532 1.00 21.05 C ATOM 556 NZ LYS A 34 -6.558 5.932 11.008 1.00 34.45 N ATOM 0 H LYS A 34 -7.371 4.989 5.049 1.00 31.51 H new ATOM 0 HA LYS A 34 -4.409 4.827 5.042 1.00 11.05 H new ATOM 0 HB2 LYS A 34 -4.602 3.883 7.345 1.00 40.10 H new ATOM 0 HB3 LYS A 34 -5.118 5.555 7.261 1.00 40.10 H new ATOM 0 HG2 LYS A 34 -7.508 4.783 7.164 1.00 63.13 H new ATOM 0 HG3 LYS A 34 -6.958 3.128 7.331 1.00 63.13 H new ATOM 0 HD2 LYS A 34 -7.659 3.972 9.515 1.00 23.21 H new ATOM 0 HD3 LYS A 34 -5.931 3.682 9.532 1.00 23.21 H new ATOM 0 HE2 LYS A 34 -5.486 6.085 9.189 1.00 21.05 H new ATOM 0 HE3 LYS A 34 -7.202 6.410 9.048 1.00 21.05 H new ATOM 0 HZ1 LYS A 34 -6.390 6.928 11.255 1.00 34.45 H new ATOM 0 HZ2 LYS A 34 -7.505 5.650 11.333 1.00 34.45 H new ATOM 0 HZ3 LYS A 34 -5.842 5.335 11.469 1.00 34.45 H new ATOM 570 N LEU A 35 -4.513 2.494 4.256 1.00 31.22 N ATOM 571 CA LEU A 35 -4.510 1.101 3.785 1.00 40.33 C ATOM 572 C LEU A 35 -3.339 0.333 4.419 1.00 13.23 C ATOM 573 O LEU A 35 -2.178 0.662 4.182 1.00 72.40 O ATOM 574 CB LEU A 35 -4.396 1.070 2.252 1.00 22.31 C ATOM 575 CG LEU A 35 -5.486 1.852 1.492 1.00 54.43 C ATOM 576 CD1 LEU A 35 -5.178 1.890 -0.005 1.00 62.13 C ATOM 577 CD2 LEU A 35 -6.870 1.250 1.747 1.00 43.43 C ATOM 0 H LEU A 35 -3.676 3.020 4.006 1.00 31.22 H new ATOM 0 HA LEU A 35 -5.444 0.622 4.081 1.00 40.33 H new ATOM 0 HB2 LEU A 35 -3.422 1.469 1.969 1.00 22.31 H new ATOM 0 HB3 LEU A 35 -4.422 0.031 1.924 1.00 22.31 H new ATOM 0 HG LEU A 35 -5.491 2.876 1.866 1.00 54.43 H new ATOM 0 HD11 LEU A 35 -5.959 2.446 -0.523 1.00 62.13 H new ATOM 0 HD12 LEU A 35 -4.217 2.378 -0.166 1.00 62.13 H new ATOM 0 HD13 LEU A 35 -5.138 0.873 -0.394 1.00 62.13 H new ATOM 0 HD21 LEU A 35 -7.621 1.820 1.200 1.00 43.43 H new ATOM 0 HD22 LEU A 35 -6.884 0.214 1.410 1.00 43.43 H new ATOM 0 HD23 LEU A 35 -7.092 1.287 2.813 1.00 43.43 H new ATOM 589 N GLU A 36 -3.633 -0.690 5.222 1.00 3.11 N ATOM 590 CA GLU A 36 -2.582 -1.395 5.976 1.00 71.24 C ATOM 591 C GLU A 36 -2.743 -2.923 5.949 1.00 30.33 C ATOM 592 O GLU A 36 -3.853 -3.454 5.862 1.00 75.34 O ATOM 593 CB GLU A 36 -2.569 -0.909 7.436 1.00 5.33 C ATOM 594 CG GLU A 36 -3.884 -1.145 8.178 1.00 50.22 C ATOM 595 CD GLU A 36 -3.856 -0.725 9.643 1.00 51.12 C ATOM 596 OE1 GLU A 36 -2.846 -0.143 10.100 1.00 52.42 O ATOM 597 OE2 GLU A 36 -4.855 -0.980 10.351 1.00 32.13 O ATOM 0 H GLU A 36 -4.576 -1.050 5.370 1.00 3.11 H new ATOM 0 HA GLU A 36 -1.637 -1.162 5.486 1.00 71.24 H new ATOM 0 HB2 GLU A 36 -1.765 -1.416 7.970 1.00 5.33 H new ATOM 0 HB3 GLU A 36 -2.340 0.157 7.452 1.00 5.33 H new ATOM 0 HG2 GLU A 36 -4.679 -0.599 7.670 1.00 50.22 H new ATOM 0 HG3 GLU A 36 -4.137 -2.204 8.119 1.00 50.22 H new ATOM 604 N CYS A 37 -1.610 -3.623 6.033 1.00 70.12 N ATOM 605 CA CYS A 37 -1.588 -5.087 6.139 1.00 64.33 C ATOM 606 C CYS A 37 -0.302 -5.564 6.828 1.00 10.54 C ATOM 607 O CYS A 37 0.649 -4.797 6.984 1.00 63.30 O ATOM 608 CB CYS A 37 -1.710 -5.739 4.754 1.00 54.14 C ATOM 609 SG CYS A 37 -0.386 -5.294 3.602 1.00 31.34 S ATOM 0 H CYS A 37 -0.684 -3.195 6.030 1.00 70.12 H new ATOM 0 HA CYS A 37 -2.443 -5.388 6.743 1.00 64.33 H new ATOM 0 HB2 CYS A 37 -1.722 -6.822 4.875 1.00 54.14 H new ATOM 0 HB3 CYS A 37 -2.667 -5.457 4.316 1.00 54.14 H new ATOM 0 HG CYS A 37 -0.579 -5.896 2.466 1.00 31.34 H new ATOM 615 N GLN A 38 -0.274 -6.829 7.244 1.00 41.23 N ATOM 616 CA GLN A 38 0.910 -7.403 7.904 1.00 2.11 C ATOM 617 C GLN A 38 1.632 -8.400 6.989 1.00 62.31 C ATOM 618 O GLN A 38 1.059 -9.413 6.581 1.00 55.22 O ATOM 619 CB GLN A 38 0.518 -8.115 9.208 1.00 72.32 C ATOM 620 CG GLN A 38 -0.063 -7.202 10.285 1.00 74.33 C ATOM 621 CD GLN A 38 0.951 -6.251 10.906 1.00 13.34 C ATOM 622 OE1 GLN A 38 0.606 -5.159 11.334 1.00 62.41 O ATOM 623 NE2 GLN A 38 2.204 -6.658 10.973 1.00 34.11 N ATOM 0 H GLN A 38 -1.053 -7.479 7.139 1.00 41.23 H new ATOM 0 HA GLN A 38 1.583 -6.576 8.128 1.00 2.11 H new ATOM 0 HB2 GLN A 38 -0.212 -8.891 8.977 1.00 72.32 H new ATOM 0 HB3 GLN A 38 1.398 -8.615 9.611 1.00 72.32 H new ATOM 0 HG2 GLN A 38 -0.875 -6.618 9.852 1.00 74.33 H new ATOM 0 HG3 GLN A 38 -0.498 -7.818 11.073 1.00 74.33 H new ATOM 0 HE21 GLN A 38 2.463 -7.574 10.608 1.00 34.11 H new ATOM 0 HE22 GLN A 38 2.914 -6.056 11.390 1.00 34.11 H new ATOM 632 N ILE A 39 2.884 -8.098 6.663 1.00 44.12 N ATOM 633 CA ILE A 39 3.740 -9.000 5.892 1.00 65.42 C ATOM 634 C ILE A 39 4.898 -9.521 6.759 1.00 22.32 C ATOM 635 O ILE A 39 5.717 -8.743 7.252 1.00 72.14 O ATOM 636 CB ILE A 39 4.322 -8.292 4.639 1.00 52.51 C ATOM 637 CG1 ILE A 39 3.186 -7.775 3.737 1.00 43.11 C ATOM 638 CG2 ILE A 39 5.242 -9.234 3.863 1.00 40.12 C ATOM 639 CD1 ILE A 39 3.668 -7.049 2.494 1.00 32.14 C ATOM 0 H ILE A 39 3.336 -7.222 6.924 1.00 44.12 H new ATOM 0 HA ILE A 39 3.121 -9.837 5.568 1.00 65.42 H new ATOM 0 HB ILE A 39 4.914 -7.439 4.971 1.00 52.51 H new ATOM 0 HG12 ILE A 39 2.563 -8.617 3.435 1.00 43.11 H new ATOM 0 HG13 ILE A 39 2.553 -7.102 4.316 1.00 43.11 H new ATOM 0 HG21 ILE A 39 5.639 -8.717 2.989 1.00 40.12 H new ATOM 0 HG22 ILE A 39 6.066 -9.548 4.504 1.00 40.12 H new ATOM 0 HG23 ILE A 39 4.679 -10.110 3.542 1.00 40.12 H new ATOM 0 HD11 ILE A 39 2.809 -6.716 1.911 1.00 32.14 H new ATOM 0 HD12 ILE A 39 4.266 -6.185 2.786 1.00 32.14 H new ATOM 0 HD13 ILE A 39 4.276 -7.724 1.891 1.00 32.14 H new ATOM 651 N SER A 40 4.972 -10.838 6.938 1.00 30.43 N ATOM 652 CA SER A 40 6.046 -11.444 7.736 1.00 15.34 C ATOM 653 C SER A 40 7.224 -11.843 6.843 1.00 71.34 C ATOM 654 O SER A 40 7.163 -12.844 6.130 1.00 32.11 O ATOM 655 CB SER A 40 5.526 -12.678 8.487 1.00 1.31 C ATOM 656 OG SER A 40 6.559 -13.303 9.234 1.00 1.51 O ATOM 0 H SER A 40 4.308 -11.506 6.546 1.00 30.43 H new ATOM 0 HA SER A 40 6.387 -10.704 8.460 1.00 15.34 H new ATOM 0 HB2 SER A 40 4.717 -12.384 9.156 1.00 1.31 H new ATOM 0 HB3 SER A 40 5.108 -13.390 7.775 1.00 1.31 H new ATOM 0 HG SER A 40 6.197 -14.084 9.702 1.00 1.51 H new ATOM 662 N ALA A 41 8.271 -11.020 6.850 1.00 20.41 N ATOM 663 CA ALA A 41 9.493 -11.291 6.084 1.00 14.44 C ATOM 664 C ALA A 41 10.758 -11.057 6.923 1.00 65.31 C ATOM 665 O ALA A 41 10.772 -10.213 7.819 1.00 25.52 O ATOM 666 CB ALA A 41 9.531 -10.426 4.832 1.00 24.00 C ATOM 0 H ALA A 41 8.300 -10.151 7.383 1.00 20.41 H new ATOM 0 HA ALA A 41 9.475 -12.343 5.798 1.00 14.44 H new ATOM 0 HB1 ALA A 41 10.442 -10.636 4.272 1.00 24.00 H new ATOM 0 HB2 ALA A 41 8.664 -10.648 4.210 1.00 24.00 H new ATOM 0 HB3 ALA A 41 9.514 -9.374 5.116 1.00 24.00 H new ATOM 672 N ILE A 42 11.823 -11.796 6.612 1.00 74.14 N ATOM 673 CA ILE A 42 13.137 -11.585 7.241 1.00 5.35 C ATOM 674 C ILE A 42 14.262 -11.699 6.192 1.00 64.33 C ATOM 675 O ILE A 42 14.508 -12.782 5.656 1.00 44.45 O ATOM 676 CB ILE A 42 13.414 -12.599 8.389 1.00 51.12 C ATOM 677 CG1 ILE A 42 12.359 -12.466 9.503 1.00 61.23 C ATOM 678 CG2 ILE A 42 14.822 -12.397 8.956 1.00 73.11 C ATOM 679 CD1 ILE A 42 12.549 -13.440 10.650 1.00 5.33 C ATOM 0 H ILE A 42 11.806 -12.550 5.926 1.00 74.14 H new ATOM 0 HA ILE A 42 13.120 -10.582 7.668 1.00 5.35 H new ATOM 0 HB ILE A 42 13.349 -13.606 7.977 1.00 51.12 H new ATOM 0 HG12 ILE A 42 12.385 -11.449 9.895 1.00 61.23 H new ATOM 0 HG13 ILE A 42 11.369 -12.616 9.072 1.00 61.23 H new ATOM 0 HG21 ILE A 42 14.998 -13.115 9.757 1.00 73.11 H new ATOM 0 HG22 ILE A 42 15.558 -12.548 8.166 1.00 73.11 H new ATOM 0 HG23 ILE A 42 14.914 -11.384 9.349 1.00 73.11 H new ATOM 0 HD11 ILE A 42 11.767 -13.284 11.393 1.00 5.33 H new ATOM 0 HD12 ILE A 42 12.492 -14.461 10.273 1.00 5.33 H new ATOM 0 HD13 ILE A 42 13.524 -13.276 11.109 1.00 5.33 H new ATOM 691 N PRO A 43 14.949 -10.587 5.854 1.00 1.21 N ATOM 692 CA PRO A 43 14.669 -9.243 6.405 1.00 54.42 C ATOM 693 C PRO A 43 13.461 -8.550 5.732 1.00 44.24 C ATOM 694 O PRO A 43 12.903 -9.067 4.761 1.00 60.41 O ATOM 695 CB PRO A 43 15.971 -8.491 6.097 1.00 35.50 C ATOM 696 CG PRO A 43 16.451 -9.099 4.822 1.00 51.24 C ATOM 697 CD PRO A 43 16.072 -10.559 4.892 1.00 42.41 C ATOM 0 HA PRO A 43 14.400 -9.274 7.461 1.00 54.42 H new ATOM 0 HB2 PRO A 43 15.796 -7.421 5.987 1.00 35.50 H new ATOM 0 HB3 PRO A 43 16.701 -8.614 6.897 1.00 35.50 H new ATOM 0 HG2 PRO A 43 15.989 -8.616 3.961 1.00 51.24 H new ATOM 0 HG3 PRO A 43 17.529 -8.980 4.714 1.00 51.24 H new ATOM 0 HD2 PRO A 43 15.772 -10.942 3.916 1.00 42.41 H new ATOM 0 HD3 PRO A 43 16.906 -11.173 5.233 1.00 42.41 H new ATOM 705 N PRO A 44 13.015 -7.385 6.262 1.00 21.44 N ATOM 706 CA PRO A 44 11.940 -6.588 5.635 1.00 73.52 C ATOM 707 C PRO A 44 12.176 -6.356 4.124 1.00 65.40 C ATOM 708 O PRO A 44 13.267 -5.953 3.713 1.00 75.45 O ATOM 709 CB PRO A 44 11.996 -5.264 6.410 1.00 12.45 C ATOM 710 CG PRO A 44 12.513 -5.646 7.757 1.00 74.34 C ATOM 711 CD PRO A 44 13.491 -6.769 7.520 1.00 61.13 C ATOM 0 HA PRO A 44 10.972 -7.087 5.685 1.00 73.52 H new ATOM 0 HB2 PRO A 44 12.653 -4.545 5.921 1.00 12.45 H new ATOM 0 HB3 PRO A 44 11.011 -4.801 6.478 1.00 12.45 H new ATOM 0 HG2 PRO A 44 12.999 -4.800 8.243 1.00 74.34 H new ATOM 0 HG3 PRO A 44 11.702 -5.966 8.411 1.00 74.34 H new ATOM 0 HD2 PRO A 44 14.512 -6.398 7.424 1.00 61.13 H new ATOM 0 HD3 PRO A 44 13.488 -7.484 8.343 1.00 61.13 H new ATOM 719 N PRO A 45 11.150 -6.600 3.283 1.00 11.13 N ATOM 720 CA PRO A 45 11.285 -6.552 1.818 1.00 51.44 C ATOM 721 C PRO A 45 11.126 -5.139 1.218 1.00 34.53 C ATOM 722 O PRO A 45 10.761 -4.186 1.913 1.00 2.34 O ATOM 723 CB PRO A 45 10.132 -7.457 1.366 1.00 2.40 C ATOM 724 CG PRO A 45 9.064 -7.233 2.385 1.00 72.24 C ATOM 725 CD PRO A 45 9.772 -6.941 3.691 1.00 20.42 C ATOM 0 HA PRO A 45 12.278 -6.859 1.491 1.00 51.44 H new ATOM 0 HB2 PRO A 45 9.789 -7.194 0.366 1.00 2.40 H new ATOM 0 HB3 PRO A 45 10.437 -8.503 1.333 1.00 2.40 H new ATOM 0 HG2 PRO A 45 8.421 -6.401 2.097 1.00 72.24 H new ATOM 0 HG3 PRO A 45 8.425 -8.112 2.478 1.00 72.24 H new ATOM 0 HD2 PRO A 45 9.299 -6.117 4.226 1.00 20.42 H new ATOM 0 HD3 PRO A 45 9.755 -7.805 4.356 1.00 20.42 H new ATOM 733 N LYS A 46 11.417 -5.017 -0.080 1.00 12.43 N ATOM 734 CA LYS A 46 11.191 -3.769 -0.823 1.00 52.02 C ATOM 735 C LYS A 46 9.746 -3.724 -1.348 1.00 41.44 C ATOM 736 O LYS A 46 9.227 -4.730 -1.837 1.00 40.24 O ATOM 737 CB LYS A 46 12.183 -3.658 -1.993 1.00 43.41 C ATOM 738 CG LYS A 46 12.064 -2.360 -2.793 1.00 25.44 C ATOM 739 CD LYS A 46 12.438 -1.129 -1.967 1.00 14.14 C ATOM 740 CE LYS A 46 12.284 0.156 -2.776 1.00 64.41 C ATOM 741 NZ LYS A 46 12.743 1.351 -2.021 1.00 20.22 N ATOM 0 H LYS A 46 11.812 -5.770 -0.643 1.00 12.43 H new ATOM 0 HA LYS A 46 11.350 -2.926 -0.150 1.00 52.02 H new ATOM 0 HB2 LYS A 46 13.198 -3.740 -1.604 1.00 43.41 H new ATOM 0 HB3 LYS A 46 12.030 -4.502 -2.666 1.00 43.41 H new ATOM 0 HG2 LYS A 46 12.710 -2.416 -3.669 1.00 25.44 H new ATOM 0 HG3 LYS A 46 11.042 -2.253 -3.157 1.00 25.44 H new ATOM 0 HD2 LYS A 46 11.807 -1.079 -1.080 1.00 14.14 H new ATOM 0 HD3 LYS A 46 13.467 -1.221 -1.621 1.00 14.14 H new ATOM 0 HE2 LYS A 46 12.854 0.072 -3.701 1.00 64.41 H new ATOM 0 HE3 LYS A 46 11.238 0.284 -3.056 1.00 64.41 H new ATOM 0 HZ1 LYS A 46 12.620 2.201 -2.608 1.00 20.22 H new ATOM 0 HZ2 LYS A 46 12.183 1.448 -1.150 1.00 20.22 H new ATOM 0 HZ3 LYS A 46 13.748 1.242 -1.776 1.00 20.22 H new ATOM 755 N LEU A 47 9.103 -2.562 -1.243 1.00 63.02 N ATOM 756 CA LEU A 47 7.692 -2.412 -1.625 1.00 63.31 C ATOM 757 C LEU A 47 7.528 -1.585 -2.910 1.00 33.41 C ATOM 758 O LEU A 47 8.078 -0.489 -3.033 1.00 64.54 O ATOM 759 CB LEU A 47 6.924 -1.741 -0.483 1.00 13.14 C ATOM 760 CG LEU A 47 7.022 -2.452 0.878 1.00 73.42 C ATOM 761 CD1 LEU A 47 6.383 -1.609 1.971 1.00 2.21 C ATOM 762 CD2 LEU A 47 6.377 -3.835 0.820 1.00 61.13 C ATOM 0 H LEU A 47 9.535 -1.706 -0.896 1.00 63.02 H new ATOM 0 HA LEU A 47 7.291 -3.407 -1.818 1.00 63.31 H new ATOM 0 HB2 LEU A 47 7.291 -0.721 -0.369 1.00 13.14 H new ATOM 0 HB3 LEU A 47 5.873 -1.672 -0.764 1.00 13.14 H new ATOM 0 HG LEU A 47 8.078 -2.581 1.116 1.00 73.42 H new ATOM 0 HD11 LEU A 47 6.463 -2.129 2.925 1.00 2.21 H new ATOM 0 HD12 LEU A 47 6.896 -0.649 2.037 1.00 2.21 H new ATOM 0 HD13 LEU A 47 5.332 -1.443 1.735 1.00 2.21 H new ATOM 0 HD21 LEU A 47 6.460 -4.316 1.794 1.00 61.13 H new ATOM 0 HD22 LEU A 47 5.325 -3.735 0.553 1.00 61.13 H new ATOM 0 HD23 LEU A 47 6.885 -4.442 0.071 1.00 61.13 H new ATOM 774 N PHE A 48 6.769 -2.123 -3.863 1.00 23.04 N ATOM 775 CA PHE A 48 6.444 -1.407 -5.109 1.00 45.05 C ATOM 776 C PHE A 48 4.919 -1.274 -5.287 1.00 52.01 C ATOM 777 O PHE A 48 4.207 -2.277 -5.357 1.00 4.53 O ATOM 778 CB PHE A 48 7.038 -2.143 -6.322 1.00 3.13 C ATOM 779 CG PHE A 48 8.542 -2.288 -6.280 1.00 12.03 C ATOM 780 CD1 PHE A 48 9.365 -1.295 -6.799 1.00 13.33 C ATOM 781 CD2 PHE A 48 9.132 -3.418 -5.727 1.00 63.00 C ATOM 782 CE1 PHE A 48 10.741 -1.427 -6.762 1.00 72.11 C ATOM 783 CE2 PHE A 48 10.506 -3.552 -5.691 1.00 50.33 C ATOM 784 CZ PHE A 48 11.311 -2.557 -6.208 1.00 61.21 C ATOM 0 H PHE A 48 6.363 -3.057 -3.801 1.00 23.04 H new ATOM 0 HA PHE A 48 6.879 -0.410 -5.043 1.00 45.05 H new ATOM 0 HB2 PHE A 48 6.590 -3.134 -6.387 1.00 3.13 H new ATOM 0 HB3 PHE A 48 6.761 -1.608 -7.230 1.00 3.13 H new ATOM 0 HD1 PHE A 48 8.925 -0.411 -7.236 1.00 13.33 H new ATOM 0 HD2 PHE A 48 8.509 -4.201 -5.321 1.00 63.00 H new ATOM 0 HE1 PHE A 48 11.370 -0.647 -7.166 1.00 72.11 H new ATOM 0 HE2 PHE A 48 10.951 -4.436 -5.258 1.00 50.33 H new ATOM 0 HZ PHE A 48 12.386 -2.662 -6.179 1.00 61.21 H new ATOM 794 N TRP A 49 4.420 -0.038 -5.366 1.00 10.25 N ATOM 795 CA TRP A 49 2.977 0.210 -5.527 1.00 51.40 C ATOM 796 C TRP A 49 2.633 0.734 -6.930 1.00 33.32 C ATOM 797 O TRP A 49 3.315 1.607 -7.472 1.00 33.54 O ATOM 798 CB TRP A 49 2.477 1.197 -4.460 1.00 61.21 C ATOM 799 CG TRP A 49 2.364 0.593 -3.087 1.00 14.35 C ATOM 800 CD1 TRP A 49 3.377 0.366 -2.197 1.00 35.44 C ATOM 801 CD2 TRP A 49 1.164 0.139 -2.447 1.00 62.22 C ATOM 802 NE1 TRP A 49 2.878 -0.197 -1.047 1.00 21.54 N ATOM 803 CE2 TRP A 49 1.521 -0.345 -1.176 1.00 14.31 C ATOM 804 CE3 TRP A 49 -0.179 0.097 -2.829 1.00 5.41 C ATOM 805 CZ2 TRP A 49 0.584 -0.861 -0.283 1.00 64.20 C ATOM 806 CZ3 TRP A 49 -1.109 -0.416 -1.944 1.00 35.53 C ATOM 807 CH2 TRP A 49 -0.724 -0.890 -0.684 1.00 23.30 C ATOM 0 H TRP A 49 4.989 0.808 -5.322 1.00 10.25 H new ATOM 0 HA TRP A 49 2.471 -0.747 -5.398 1.00 51.40 H new ATOM 0 HB2 TRP A 49 3.156 2.049 -4.418 1.00 61.21 H new ATOM 0 HB3 TRP A 49 1.502 1.581 -4.760 1.00 61.21 H new ATOM 0 HD1 TRP A 49 4.418 0.596 -2.372 1.00 35.44 H new ATOM 0 HE1 TRP A 49 3.428 -0.462 -0.230 1.00 21.54 H new ATOM 0 HE3 TRP A 49 -0.486 0.459 -3.799 1.00 5.41 H new ATOM 0 HZ2 TRP A 49 0.879 -1.225 0.690 1.00 64.20 H new ATOM 0 HZ3 TRP A 49 -2.150 -0.452 -2.229 1.00 35.53 H new ATOM 0 HH2 TRP A 49 -1.474 -1.286 -0.016 1.00 23.30 H new ATOM 818 N LYS A 50 1.564 0.189 -7.508 1.00 53.40 N ATOM 819 CA LYS A 50 1.088 0.595 -8.835 1.00 11.04 C ATOM 820 C LYS A 50 -0.420 0.903 -8.810 1.00 34.12 C ATOM 821 O LYS A 50 -1.209 0.091 -8.344 1.00 63.30 O ATOM 822 CB LYS A 50 1.367 -0.531 -9.842 1.00 34.31 C ATOM 823 CG LYS A 50 0.835 -0.257 -11.249 1.00 54.33 C ATOM 824 CD LYS A 50 0.803 -1.521 -12.104 1.00 11.41 C ATOM 825 CE LYS A 50 2.173 -2.174 -12.217 1.00 11.11 C ATOM 826 NZ LYS A 50 2.120 -3.419 -13.024 1.00 14.43 N ATOM 0 H LYS A 50 1.003 -0.544 -7.074 1.00 53.40 H new ATOM 0 HA LYS A 50 1.618 1.500 -9.132 1.00 11.04 H new ATOM 0 HB2 LYS A 50 2.443 -0.695 -9.898 1.00 34.31 H new ATOM 0 HB3 LYS A 50 0.922 -1.454 -9.471 1.00 34.31 H new ATOM 0 HG2 LYS A 50 -0.169 0.161 -11.182 1.00 54.33 H new ATOM 0 HG3 LYS A 50 1.460 0.493 -11.734 1.00 54.33 H new ATOM 0 HD2 LYS A 50 0.098 -2.232 -11.672 1.00 11.41 H new ATOM 0 HD3 LYS A 50 0.437 -1.274 -13.101 1.00 11.41 H new ATOM 0 HE2 LYS A 50 2.874 -1.474 -12.672 1.00 11.11 H new ATOM 0 HE3 LYS A 50 2.552 -2.401 -11.221 1.00 11.11 H new ATOM 0 HZ1 LYS A 50 3.071 -3.837 -13.080 1.00 14.43 H new ATOM 0 HZ2 LYS A 50 1.470 -4.096 -12.576 1.00 14.43 H new ATOM 0 HZ3 LYS A 50 1.782 -3.197 -13.982 1.00 14.43 H new ATOM 840 N ARG A 51 -0.815 2.069 -9.319 1.00 11.14 N ATOM 841 CA ARG A 51 -2.240 2.446 -9.391 1.00 54.13 C ATOM 842 C ARG A 51 -2.698 2.585 -10.844 1.00 32.43 C ATOM 843 O ARG A 51 -2.231 3.468 -11.547 1.00 20.34 O ATOM 844 CB ARG A 51 -2.488 3.785 -8.685 1.00 40.42 C ATOM 845 CG ARG A 51 -3.959 4.204 -8.685 1.00 31.52 C ATOM 846 CD ARG A 51 -4.137 5.675 -8.326 1.00 75.11 C ATOM 847 NE ARG A 51 -3.671 6.562 -9.391 1.00 5.52 N ATOM 848 CZ ARG A 51 -3.533 7.851 -9.262 1.00 13.15 C ATOM 849 NH1 ARG A 51 -3.753 8.425 -8.121 1.00 70.52 N ATOM 850 NH2 ARG A 51 -3.167 8.566 -10.275 1.00 54.12 N ATOM 0 H ARG A 51 -0.176 2.773 -9.689 1.00 11.14 H new ATOM 0 HA ARG A 51 -2.804 1.654 -8.898 1.00 54.13 H new ATOM 0 HB2 ARG A 51 -2.137 3.716 -7.655 1.00 40.42 H new ATOM 0 HB3 ARG A 51 -1.896 4.560 -9.172 1.00 40.42 H new ATOM 0 HG2 ARG A 51 -4.389 4.017 -9.669 1.00 31.52 H new ATOM 0 HG3 ARG A 51 -4.511 3.589 -7.974 1.00 31.52 H new ATOM 0 HD2 ARG A 51 -5.190 5.874 -8.124 1.00 75.11 H new ATOM 0 HD3 ARG A 51 -3.590 5.892 -7.409 1.00 75.11 H new ATOM 0 HE ARG A 51 -3.439 6.145 -10.292 1.00 5.52 H new ATOM 0 HH11 ARG A 51 -4.036 7.867 -7.316 1.00 70.52 H new ATOM 0 HH12 ARG A 51 -3.643 9.435 -8.028 1.00 70.52 H new ATOM 0 HH21 ARG A 51 -2.986 8.121 -11.175 1.00 54.12 H new ATOM 0 HH22 ARG A 51 -3.059 9.575 -10.174 1.00 54.12 H new ATOM 864 N ASN A 52 -3.621 1.735 -11.287 1.00 63.13 N ATOM 865 CA ASN A 52 -4.147 1.814 -12.663 1.00 73.11 C ATOM 866 C ASN A 52 -3.007 1.833 -13.699 1.00 31.44 C ATOM 867 O ASN A 52 -3.003 2.654 -14.623 1.00 53.13 O ATOM 868 CB ASN A 52 -5.024 3.067 -12.820 1.00 22.45 C ATOM 869 CG ASN A 52 -6.181 3.099 -11.839 1.00 4.41 C ATOM 870 OD1 ASN A 52 -6.671 2.062 -11.400 1.00 74.05 O ATOM 871 ND2 ASN A 52 -6.623 4.290 -11.483 1.00 4.33 N ATOM 0 H ASN A 52 -4.023 0.986 -10.724 1.00 63.13 H new ATOM 0 HA ASN A 52 -4.751 0.925 -12.845 1.00 73.11 H new ATOM 0 HB2 ASN A 52 -4.409 3.956 -12.679 1.00 22.45 H new ATOM 0 HB3 ASN A 52 -5.414 3.107 -13.837 1.00 22.45 H new ATOM 0 HD21 ASN A 52 -7.396 4.371 -10.823 1.00 4.33 H new ATOM 0 HD22 ASN A 52 -6.192 5.130 -11.868 1.00 4.33 H new ATOM 878 N ASN A 53 -2.041 0.924 -13.527 1.00 51.02 N ATOM 879 CA ASN A 53 -0.867 0.824 -14.414 1.00 10.40 C ATOM 880 C ASN A 53 0.117 2.007 -14.232 1.00 4.11 C ATOM 881 O ASN A 53 1.077 2.150 -14.993 1.00 13.04 O ATOM 882 CB ASN A 53 -1.306 0.703 -15.883 1.00 72.23 C ATOM 883 CG ASN A 53 -2.182 -0.517 -16.131 1.00 4.35 C ATOM 884 OD1 ASN A 53 -2.060 -1.535 -15.457 1.00 41.32 O ATOM 885 ND2 ASN A 53 -3.079 -0.425 -17.095 1.00 41.12 N ATOM 0 H ASN A 53 -2.047 0.237 -12.773 1.00 51.02 H new ATOM 0 HA ASN A 53 -0.330 -0.081 -14.130 1.00 10.40 H new ATOM 0 HB2 ASN A 53 -1.851 1.602 -16.171 1.00 72.23 H new ATOM 0 HB3 ASN A 53 -0.423 0.648 -16.519 1.00 72.23 H new ATOM 0 HD21 ASN A 53 -3.694 -1.213 -17.296 1.00 41.12 H new ATOM 0 HD22 ASN A 53 -3.157 0.435 -17.639 1.00 41.12 H new ATOM 892 N GLU A 54 -0.119 2.844 -13.218 1.00 63.05 N ATOM 893 CA GLU A 54 0.792 3.953 -12.880 1.00 13.20 C ATOM 894 C GLU A 54 1.786 3.536 -11.787 1.00 51.21 C ATOM 895 O GLU A 54 1.386 2.993 -10.757 1.00 62.13 O ATOM 896 CB GLU A 54 0.005 5.166 -12.352 1.00 61.43 C ATOM 897 CG GLU A 54 -1.080 5.700 -13.280 1.00 22.45 C ATOM 898 CD GLU A 54 -1.922 6.776 -12.603 1.00 55.35 C ATOM 899 OE1 GLU A 54 -1.408 7.895 -12.389 1.00 71.13 O ATOM 900 OE2 GLU A 54 -3.092 6.506 -12.260 1.00 23.23 O ATOM 0 H GLU A 54 -0.936 2.778 -12.611 1.00 63.05 H new ATOM 0 HA GLU A 54 1.325 4.214 -13.794 1.00 13.20 H new ATOM 0 HB2 GLU A 54 -0.456 4.893 -11.403 1.00 61.43 H new ATOM 0 HB3 GLU A 54 0.709 5.971 -12.144 1.00 61.43 H new ATOM 0 HG2 GLU A 54 -0.620 6.110 -14.179 1.00 22.45 H new ATOM 0 HG3 GLU A 54 -1.724 4.880 -13.597 1.00 22.45 H new ATOM 907 N MET A 55 3.071 3.797 -11.999 1.00 34.33 N ATOM 908 CA MET A 55 4.064 3.635 -10.937 1.00 43.22 C ATOM 909 C MET A 55 3.870 4.737 -9.881 1.00 13.41 C ATOM 910 O MET A 55 4.052 5.924 -10.168 1.00 1.11 O ATOM 911 CB MET A 55 5.488 3.694 -11.516 1.00 62.54 C ATOM 912 CG MET A 55 6.602 3.478 -10.489 1.00 64.12 C ATOM 913 SD MET A 55 7.105 1.746 -10.306 1.00 60.24 S ATOM 914 CE MET A 55 5.659 1.000 -9.552 1.00 75.41 C ATOM 0 H MET A 55 3.450 4.120 -12.889 1.00 34.33 H new ATOM 0 HA MET A 55 3.928 2.660 -10.468 1.00 43.22 H new ATOM 0 HB2 MET A 55 5.580 2.939 -12.297 1.00 62.54 H new ATOM 0 HB3 MET A 55 5.633 4.664 -11.991 1.00 62.54 H new ATOM 0 HG2 MET A 55 7.470 4.070 -10.779 1.00 64.12 H new ATOM 0 HG3 MET A 55 6.269 3.854 -9.522 1.00 64.12 H new ATOM 0 HE1 MET A 55 5.961 0.132 -8.966 1.00 75.41 H new ATOM 0 HE2 MET A 55 5.173 1.726 -8.900 1.00 75.41 H new ATOM 0 HE3 MET A 55 4.963 0.688 -10.330 1.00 75.41 H new ATOM 924 N VAL A 56 3.478 4.346 -8.671 1.00 51.13 N ATOM 925 CA VAL A 56 3.152 5.313 -7.617 1.00 33.42 C ATOM 926 C VAL A 56 4.412 5.898 -6.957 1.00 34.34 C ATOM 927 O VAL A 56 5.230 5.166 -6.399 1.00 43.43 O ATOM 928 CB VAL A 56 2.255 4.677 -6.525 1.00 1.32 C ATOM 929 CG1 VAL A 56 1.922 5.689 -5.428 1.00 62.30 C ATOM 930 CG2 VAL A 56 0.976 4.111 -7.142 1.00 21.33 C ATOM 0 H VAL A 56 3.377 3.370 -8.393 1.00 51.13 H new ATOM 0 HA VAL A 56 2.609 6.122 -8.105 1.00 33.42 H new ATOM 0 HB VAL A 56 2.810 3.858 -6.069 1.00 1.32 H new ATOM 0 HG11 VAL A 56 1.292 5.215 -4.675 1.00 62.30 H new ATOM 0 HG12 VAL A 56 2.844 6.037 -4.962 1.00 62.30 H new ATOM 0 HG13 VAL A 56 1.393 6.537 -5.863 1.00 62.30 H new ATOM 0 HG21 VAL A 56 0.359 3.669 -6.360 1.00 21.33 H new ATOM 0 HG22 VAL A 56 0.422 4.913 -7.631 1.00 21.33 H new ATOM 0 HG23 VAL A 56 1.233 3.348 -7.876 1.00 21.33 H new ATOM 940 N GLN A 57 4.564 7.220 -7.035 1.00 53.01 N ATOM 941 CA GLN A 57 5.662 7.923 -6.360 1.00 4.44 C ATOM 942 C GLN A 57 5.278 8.317 -4.922 1.00 33.44 C ATOM 943 O GLN A 57 4.099 8.420 -4.590 1.00 62.14 O ATOM 944 CB GLN A 57 6.106 9.157 -7.174 1.00 22.24 C ATOM 945 CG GLN A 57 4.977 10.040 -7.725 1.00 52.23 C ATOM 946 CD GLN A 57 4.135 10.717 -6.652 1.00 11.42 C ATOM 947 OE1 GLN A 57 4.465 11.796 -6.170 1.00 21.52 O ATOM 948 NE2 GLN A 57 3.024 10.105 -6.293 1.00 21.42 N ATOM 0 H GLN A 57 3.939 7.831 -7.561 1.00 53.01 H new ATOM 0 HA GLN A 57 6.507 7.237 -6.297 1.00 4.44 H new ATOM 0 HB2 GLN A 57 6.747 9.773 -6.543 1.00 22.24 H new ATOM 0 HB3 GLN A 57 6.715 8.816 -8.011 1.00 22.24 H new ATOM 0 HG2 GLN A 57 5.411 10.806 -8.368 1.00 52.23 H new ATOM 0 HG3 GLN A 57 4.326 9.430 -8.351 1.00 52.23 H new ATOM 0 HE21 GLN A 57 2.777 9.208 -6.712 1.00 21.42 H new ATOM 0 HE22 GLN A 57 2.411 10.528 -5.596 1.00 21.42 H new ATOM 957 N PHE A 58 6.280 8.518 -4.067 1.00 31.51 N ATOM 958 CA PHE A 58 6.034 8.869 -2.659 1.00 13.32 C ATOM 959 C PHE A 58 6.824 10.122 -2.240 1.00 61.54 C ATOM 960 O PHE A 58 7.127 10.316 -1.063 1.00 14.14 O ATOM 961 CB PHE A 58 6.408 7.683 -1.757 1.00 61.40 C ATOM 962 CG PHE A 58 5.713 6.397 -2.137 1.00 42.11 C ATOM 963 CD1 PHE A 58 4.364 6.214 -1.865 1.00 51.01 C ATOM 964 CD2 PHE A 58 6.408 5.375 -2.768 1.00 5.32 C ATOM 965 CE1 PHE A 58 3.725 5.039 -2.215 1.00 41.13 C ATOM 966 CE2 PHE A 58 5.772 4.198 -3.118 1.00 34.24 C ATOM 967 CZ PHE A 58 4.430 4.031 -2.842 1.00 44.43 C ATOM 0 H PHE A 58 7.266 8.446 -4.318 1.00 31.51 H new ATOM 0 HA PHE A 58 4.973 9.095 -2.547 1.00 13.32 H new ATOM 0 HB2 PHE A 58 7.486 7.530 -1.799 1.00 61.40 H new ATOM 0 HB3 PHE A 58 6.161 7.929 -0.724 1.00 61.40 H new ATOM 0 HD1 PHE A 58 3.807 6.999 -1.374 1.00 51.01 H new ATOM 0 HD2 PHE A 58 7.458 5.500 -2.988 1.00 5.32 H new ATOM 0 HE1 PHE A 58 2.675 4.910 -1.998 1.00 41.13 H new ATOM 0 HE2 PHE A 58 6.325 3.410 -3.607 1.00 34.24 H new ATOM 0 HZ PHE A 58 3.932 3.113 -3.116 1.00 44.43 H new ATOM 977 N ASN A 59 7.129 10.988 -3.204 1.00 24.43 N ATOM 978 CA ASN A 59 7.908 12.210 -2.938 1.00 65.42 C ATOM 979 C ASN A 59 7.012 13.392 -2.529 1.00 41.44 C ATOM 980 O ASN A 59 7.400 14.555 -2.677 1.00 70.53 O ATOM 981 CB ASN A 59 8.724 12.580 -4.183 1.00 33.34 C ATOM 982 CG ASN A 59 7.849 12.844 -5.395 1.00 64.13 C ATOM 983 OD1 ASN A 59 7.513 11.933 -6.141 1.00 62.20 O ATOM 984 ND2 ASN A 59 7.467 14.090 -5.598 1.00 14.32 N ATOM 0 H ASN A 59 6.852 10.872 -4.179 1.00 24.43 H new ATOM 0 HA ASN A 59 8.575 12.003 -2.101 1.00 65.42 H new ATOM 0 HB2 ASN A 59 9.322 13.466 -3.971 1.00 33.34 H new ATOM 0 HB3 ASN A 59 9.420 11.772 -4.410 1.00 33.34 H new ATOM 0 HD21 ASN A 59 6.874 14.318 -6.396 1.00 14.32 H new ATOM 0 HD22 ASN A 59 7.765 14.826 -4.957 1.00 14.32 H new ATOM 991 N THR A 60 5.829 13.094 -1.997 1.00 72.30 N ATOM 992 CA THR A 60 4.856 14.132 -1.618 1.00 31.34 C ATOM 993 C THR A 60 4.168 13.814 -0.284 1.00 23.23 C ATOM 994 O THR A 60 4.297 12.712 0.249 1.00 0.22 O ATOM 995 CB THR A 60 3.767 14.313 -2.712 1.00 50.32 C ATOM 996 OG1 THR A 60 2.685 15.127 -2.225 1.00 63.21 O ATOM 997 CG2 THR A 60 3.222 12.966 -3.179 1.00 1.24 C ATOM 0 H THR A 60 5.514 12.141 -1.816 1.00 72.30 H new ATOM 0 HA THR A 60 5.423 15.057 -1.511 1.00 31.34 H new ATOM 0 HB THR A 60 4.237 14.812 -3.560 1.00 50.32 H new ATOM 0 HG1 THR A 60 1.838 14.801 -2.595 1.00 63.21 H new ATOM 0 HG21 THR A 60 2.462 13.126 -3.944 1.00 1.24 H new ATOM 0 HG22 THR A 60 4.034 12.369 -3.594 1.00 1.24 H new ATOM 0 HG23 THR A 60 2.780 12.439 -2.333 1.00 1.24 H new ATOM 1005 N ASP A 61 3.449 14.796 0.251 1.00 60.11 N ATOM 1006 CA ASP A 61 2.670 14.612 1.479 1.00 22.43 C ATOM 1007 C ASP A 61 1.328 13.916 1.189 1.00 15.25 C ATOM 1008 O ASP A 61 0.813 13.167 2.023 1.00 51.32 O ATOM 1009 CB ASP A 61 2.430 15.972 2.158 1.00 5.53 C ATOM 1010 CG ASP A 61 1.480 15.881 3.343 1.00 73.41 C ATOM 1011 OD1 ASP A 61 1.873 15.316 4.390 1.00 65.43 O ATOM 1012 OD2 ASP A 61 0.340 16.378 3.238 1.00 71.24 O ATOM 0 H ASP A 61 3.387 15.733 -0.146 1.00 60.11 H new ATOM 0 HA ASP A 61 3.241 13.971 2.151 1.00 22.43 H new ATOM 0 HB2 ASP A 61 3.384 16.379 2.494 1.00 5.53 H new ATOM 0 HB3 ASP A 61 2.025 16.671 1.427 1.00 5.53 H new ATOM 1017 N ARG A 62 0.774 14.145 -0.004 1.00 35.44 N ATOM 1018 CA ARG A 62 -0.528 13.568 -0.370 1.00 25.42 C ATOM 1019 C ARG A 62 -0.428 12.057 -0.608 1.00 23.04 C ATOM 1020 O ARG A 62 -1.408 11.333 -0.463 1.00 43.22 O ATOM 1021 CB ARG A 62 -1.103 14.251 -1.617 1.00 54.12 C ATOM 1022 CG ARG A 62 -1.279 15.759 -1.472 1.00 21.44 C ATOM 1023 CD ARG A 62 -2.172 16.337 -2.568 1.00 65.45 C ATOM 1024 NE ARG A 62 -1.748 15.933 -3.910 1.00 3.24 N ATOM 1025 CZ ARG A 62 -1.562 16.760 -4.902 1.00 43.12 C ATOM 1026 NH1 ARG A 62 -1.697 18.036 -4.733 1.00 5.31 N ATOM 1027 NH2 ARG A 62 -1.222 16.305 -6.064 1.00 50.14 N ATOM 0 H ARG A 62 1.200 14.721 -0.730 1.00 35.44 H new ATOM 0 HA ARG A 62 -1.200 13.741 0.470 1.00 25.42 H new ATOM 0 HB2 ARG A 62 -0.446 14.052 -2.464 1.00 54.12 H new ATOM 0 HB3 ARG A 62 -2.069 13.804 -1.851 1.00 54.12 H new ATOM 0 HG2 ARG A 62 -1.711 15.982 -0.497 1.00 21.44 H new ATOM 0 HG3 ARG A 62 -0.303 16.243 -1.506 1.00 21.44 H new ATOM 0 HD2 ARG A 62 -3.200 16.013 -2.403 1.00 65.45 H new ATOM 0 HD3 ARG A 62 -2.166 17.425 -2.501 1.00 65.45 H new ATOM 0 HE ARG A 62 -1.588 14.940 -4.081 1.00 3.24 H new ATOM 0 HH11 ARG A 62 -1.951 18.405 -3.817 1.00 5.31 H new ATOM 0 HH12 ARG A 62 -1.549 18.673 -5.516 1.00 5.31 H new ATOM 0 HH21 ARG A 62 -1.100 15.302 -6.203 1.00 50.14 H new ATOM 0 HH22 ARG A 62 -1.076 16.949 -6.841 1.00 50.14 H new ATOM 1041 N ILE A 63 0.755 11.587 -0.984 1.00 52.11 N ATOM 1042 CA ILE A 63 0.999 10.149 -1.155 1.00 24.31 C ATOM 1043 C ILE A 63 2.261 9.735 -0.385 1.00 23.04 C ATOM 1044 O ILE A 63 3.342 10.271 -0.624 1.00 64.51 O ATOM 1045 CB ILE A 63 1.180 9.769 -2.651 1.00 50.41 C ATOM 1046 CG1 ILE A 63 -0.009 10.261 -3.497 1.00 43.23 C ATOM 1047 CG2 ILE A 63 1.360 8.259 -2.807 1.00 33.12 C ATOM 1048 CD1 ILE A 63 -1.339 9.634 -3.125 1.00 72.13 C ATOM 0 H ILE A 63 1.565 12.176 -1.178 1.00 52.11 H new ATOM 0 HA ILE A 63 0.127 9.624 -0.766 1.00 24.31 H new ATOM 0 HB ILE A 63 2.080 10.264 -3.015 1.00 50.41 H new ATOM 0 HG12 ILE A 63 -0.089 11.343 -3.395 1.00 43.23 H new ATOM 0 HG13 ILE A 63 0.196 10.054 -4.547 1.00 43.23 H new ATOM 0 HG21 ILE A 63 1.485 8.015 -3.862 1.00 33.12 H new ATOM 0 HG22 ILE A 63 2.242 7.939 -2.253 1.00 33.12 H new ATOM 0 HG23 ILE A 63 0.481 7.746 -2.417 1.00 33.12 H new ATOM 0 HD11 ILE A 63 -2.123 10.035 -3.768 1.00 72.13 H new ATOM 0 HD12 ILE A 63 -1.281 8.553 -3.254 1.00 72.13 H new ATOM 0 HD13 ILE A 63 -1.571 9.863 -2.085 1.00 72.13 H new ATOM 1060 N SER A 64 2.131 8.769 0.522 1.00 74.04 N ATOM 1061 CA SER A 64 3.275 8.328 1.334 1.00 75.41 C ATOM 1062 C SER A 64 3.153 6.856 1.735 1.00 75.42 C ATOM 1063 O SER A 64 2.056 6.349 1.971 1.00 71.32 O ATOM 1064 CB SER A 64 3.409 9.189 2.600 1.00 55.22 C ATOM 1065 OG SER A 64 2.325 8.977 3.495 1.00 1.14 O ATOM 0 H SER A 64 1.258 8.278 0.716 1.00 74.04 H new ATOM 0 HA SER A 64 4.166 8.446 0.717 1.00 75.41 H new ATOM 0 HB2 SER A 64 4.347 8.954 3.102 1.00 55.22 H new ATOM 0 HB3 SER A 64 3.451 10.242 2.322 1.00 55.22 H new ATOM 0 HG SER A 64 2.442 9.538 4.290 1.00 1.14 H new ATOM 1071 N LEU A 65 4.290 6.179 1.823 1.00 51.04 N ATOM 1072 CA LEU A 65 4.332 4.765 2.207 1.00 0.02 C ATOM 1073 C LEU A 65 5.318 4.540 3.358 1.00 65.21 C ATOM 1074 O LEU A 65 6.413 5.109 3.369 1.00 13.34 O ATOM 1075 CB LEU A 65 4.746 3.906 1.003 1.00 2.11 C ATOM 1076 CG LEU A 65 4.900 2.399 1.279 1.00 61.50 C ATOM 1077 CD1 LEU A 65 3.548 1.755 1.583 1.00 41.33 C ATOM 1078 CD2 LEU A 65 5.585 1.705 0.105 1.00 1.11 C ATOM 0 H LEU A 65 5.206 6.586 1.633 1.00 51.04 H new ATOM 0 HA LEU A 65 3.335 4.474 2.539 1.00 0.02 H new ATOM 0 HB2 LEU A 65 4.006 4.038 0.214 1.00 2.11 H new ATOM 0 HB3 LEU A 65 5.693 4.285 0.618 1.00 2.11 H new ATOM 0 HG LEU A 65 5.530 2.278 2.160 1.00 61.50 H new ATOM 0 HD11 LEU A 65 3.687 0.691 1.774 1.00 41.33 H new ATOM 0 HD12 LEU A 65 3.109 2.227 2.462 1.00 41.33 H new ATOM 0 HD13 LEU A 65 2.882 1.887 0.730 1.00 41.33 H new ATOM 0 HD21 LEU A 65 5.685 0.641 0.319 1.00 1.11 H new ATOM 0 HD22 LEU A 65 4.987 1.839 -0.796 1.00 1.11 H new ATOM 0 HD23 LEU A 65 6.573 2.138 -0.048 1.00 1.11 H new ATOM 1090 N TYR A 66 4.930 3.722 4.332 1.00 61.41 N ATOM 1091 CA TYR A 66 5.842 3.347 5.412 1.00 54.04 C ATOM 1092 C TYR A 66 5.647 1.880 5.814 1.00 61.25 C ATOM 1093 O TYR A 66 4.551 1.324 5.678 1.00 11.33 O ATOM 1094 CB TYR A 66 5.671 4.273 6.632 1.00 45.42 C ATOM 1095 CG TYR A 66 4.436 4.008 7.479 1.00 42.41 C ATOM 1096 CD1 TYR A 66 3.227 4.640 7.211 1.00 0.31 C ATOM 1097 CD2 TYR A 66 4.489 3.135 8.564 1.00 33.14 C ATOM 1098 CE1 TYR A 66 2.112 4.410 7.994 1.00 74.52 C ATOM 1099 CE2 TYR A 66 3.381 2.903 9.351 1.00 13.12 C ATOM 1100 CZ TYR A 66 2.194 3.540 9.062 1.00 61.11 C ATOM 1101 OH TYR A 66 1.087 3.311 9.849 1.00 43.42 O ATOM 0 H TYR A 66 4.000 3.309 4.398 1.00 61.41 H new ATOM 0 HA TYR A 66 6.860 3.464 5.040 1.00 54.04 H new ATOM 0 HB2 TYR A 66 6.553 4.179 7.265 1.00 45.42 H new ATOM 0 HB3 TYR A 66 5.638 5.305 6.283 1.00 45.42 H new ATOM 0 HD1 TYR A 66 3.158 5.322 6.377 1.00 0.31 H new ATOM 0 HD2 TYR A 66 5.416 2.630 8.793 1.00 33.14 H new ATOM 0 HE1 TYR A 66 1.180 4.909 7.771 1.00 74.52 H new ATOM 0 HE2 TYR A 66 3.443 2.225 10.190 1.00 13.12 H new ATOM 0 HH TYR A 66 1.315 2.672 10.556 1.00 43.42 H new ATOM 1111 N GLN A 67 6.716 1.254 6.294 1.00 44.24 N ATOM 1112 CA GLN A 67 6.656 -0.130 6.770 1.00 61.32 C ATOM 1113 C GLN A 67 7.330 -0.255 8.148 1.00 74.24 C ATOM 1114 O GLN A 67 8.487 0.127 8.332 1.00 2.11 O ATOM 1115 CB GLN A 67 7.294 -1.074 5.733 1.00 54.50 C ATOM 1116 CG GLN A 67 8.776 -0.819 5.459 1.00 45.32 C ATOM 1117 CD GLN A 67 9.278 -1.542 4.215 1.00 11.00 C ATOM 1118 OE1 GLN A 67 9.317 -0.978 3.126 1.00 44.04 O ATOM 1119 NE2 GLN A 67 9.624 -2.805 4.353 1.00 55.55 N ATOM 0 H GLN A 67 7.639 1.682 6.365 1.00 44.24 H new ATOM 0 HA GLN A 67 5.613 -0.423 6.890 1.00 61.32 H new ATOM 0 HB2 GLN A 67 7.174 -2.102 6.076 1.00 54.50 H new ATOM 0 HB3 GLN A 67 6.745 -0.985 4.795 1.00 54.50 H new ATOM 0 HG2 GLN A 67 8.940 0.252 5.343 1.00 45.32 H new ATOM 0 HG3 GLN A 67 9.361 -1.139 6.321 1.00 45.32 H new ATOM 0 HE21 GLN A 67 9.582 -3.248 5.271 1.00 55.55 H new ATOM 0 HE22 GLN A 67 9.934 -3.340 3.542 1.00 55.55 H new ATOM 1128 N ASP A 68 6.588 -0.771 9.122 1.00 23.12 N ATOM 1129 CA ASP A 68 7.057 -0.828 10.512 1.00 71.33 C ATOM 1130 C ASP A 68 7.687 -2.197 10.840 1.00 31.51 C ATOM 1131 O ASP A 68 7.392 -3.199 10.184 1.00 1.44 O ATOM 1132 CB ASP A 68 5.880 -0.533 11.450 1.00 43.11 C ATOM 1133 CG ASP A 68 6.318 -0.319 12.887 1.00 32.40 C ATOM 1134 OD1 ASP A 68 6.457 -1.314 13.624 1.00 10.34 O ATOM 1135 OD2 ASP A 68 6.542 0.848 13.275 1.00 21.31 O ATOM 0 H ASP A 68 5.655 -1.158 8.979 1.00 23.12 H new ATOM 0 HA ASP A 68 7.834 -0.076 10.652 1.00 71.33 H new ATOM 0 HB2 ASP A 68 5.354 0.355 11.099 1.00 43.11 H new ATOM 0 HB3 ASP A 68 5.172 -1.360 11.409 1.00 43.11 H new ATOM 1140 N ASN A 69 8.529 -2.241 11.879 1.00 53.23 N ATOM 1141 CA ASN A 69 9.225 -3.479 12.266 1.00 70.13 C ATOM 1142 C ASN A 69 8.247 -4.578 12.717 1.00 15.40 C ATOM 1143 O ASN A 69 8.596 -5.759 12.729 1.00 53.13 O ATOM 1144 CB ASN A 69 10.254 -3.207 13.370 1.00 44.33 C ATOM 1145 CG ASN A 69 11.369 -2.265 12.932 1.00 51.12 C ATOM 1146 OD1 ASN A 69 11.651 -2.207 11.643 1.00 15.21 O flip ATOM 1147 ND2 ASN A 69 11.977 -1.588 13.754 1.00 1.10 N flip ATOM 0 H ASN A 69 8.746 -1.437 12.467 1.00 53.23 H new ATOM 0 HA ASN A 69 9.743 -3.839 11.377 1.00 70.13 H new ATOM 0 HB2 ASN A 69 9.746 -2.781 14.235 1.00 44.33 H new ATOM 0 HB3 ASN A 69 10.691 -4.152 13.691 1.00 44.33 H new ATOM 0 HD21 ASN A 69 11.739 -1.652 14.744 1.00 1.10 H new ATOM 0 HD22 ASN A 69 12.721 -0.961 13.448 1.00 1.10 H new ATOM 1154 N THR A 70 7.025 -4.190 13.082 1.00 35.23 N ATOM 1155 CA THR A 70 5.961 -5.165 13.395 1.00 51.43 C ATOM 1156 C THR A 70 5.526 -5.936 12.137 1.00 31.13 C ATOM 1157 O THR A 70 4.706 -6.851 12.207 1.00 61.41 O ATOM 1158 CB THR A 70 4.713 -4.482 14.015 1.00 14.21 C ATOM 1159 OG1 THR A 70 3.710 -5.459 14.354 1.00 31.20 O ATOM 1160 CG2 THR A 70 4.110 -3.461 13.054 1.00 33.12 C ATOM 0 H THR A 70 6.741 -3.214 13.170 1.00 35.23 H new ATOM 0 HA THR A 70 6.384 -5.857 14.123 1.00 51.43 H new ATOM 0 HB THR A 70 5.040 -3.970 14.920 1.00 14.21 H new ATOM 0 HG1 THR A 70 3.839 -6.263 13.809 1.00 31.20 H new ATOM 0 HG21 THR A 70 3.237 -2.999 13.515 1.00 33.12 H new ATOM 0 HG22 THR A 70 4.850 -2.694 12.827 1.00 33.12 H new ATOM 0 HG23 THR A 70 3.811 -3.961 12.133 1.00 33.12 H new ATOM 1168 N GLY A 71 6.086 -5.552 10.988 1.00 74.35 N ATOM 1169 CA GLY A 71 5.731 -6.178 9.721 1.00 20.11 C ATOM 1170 C GLY A 71 4.511 -5.537 9.074 1.00 50.44 C ATOM 1171 O GLY A 71 3.897 -6.112 8.181 1.00 42.33 O ATOM 0 H GLY A 71 6.785 -4.813 10.913 1.00 74.35 H new ATOM 0 HA2 GLY A 71 6.577 -6.112 9.037 1.00 20.11 H new ATOM 0 HA3 GLY A 71 5.536 -7.238 9.885 1.00 20.11 H new ATOM 1175 N ARG A 72 4.151 -4.339 9.526 1.00 53.34 N ATOM 1176 CA ARG A 72 2.963 -3.655 9.008 1.00 4.33 C ATOM 1177 C ARG A 72 3.310 -2.689 7.872 1.00 33.12 C ATOM 1178 O ARG A 72 4.036 -1.711 8.066 1.00 73.22 O ATOM 1179 CB ARG A 72 2.235 -2.893 10.123 1.00 13.51 C ATOM 1180 CG ARG A 72 0.910 -2.279 9.667 1.00 51.55 C ATOM 1181 CD ARG A 72 0.157 -1.609 10.812 1.00 14.22 C ATOM 1182 NE ARG A 72 -0.177 -2.555 11.877 1.00 42.42 N ATOM 1183 CZ ARG A 72 -1.280 -2.519 12.574 1.00 50.20 C ATOM 1184 NH1 ARG A 72 -2.218 -1.672 12.292 1.00 14.20 N ATOM 1185 NH2 ARG A 72 -1.458 -3.362 13.537 1.00 11.24 N ATOM 0 H ARG A 72 4.658 -3.822 10.244 1.00 53.34 H new ATOM 0 HA ARG A 72 2.305 -4.428 8.612 1.00 4.33 H new ATOM 0 HB2 ARG A 72 2.046 -3.572 10.955 1.00 13.51 H new ATOM 0 HB3 ARG A 72 2.885 -2.102 10.498 1.00 13.51 H new ATOM 0 HG2 ARG A 72 1.103 -1.546 8.884 1.00 51.55 H new ATOM 0 HG3 ARG A 72 0.284 -3.056 9.229 1.00 51.55 H new ATOM 0 HD2 ARG A 72 0.764 -0.802 11.222 1.00 14.22 H new ATOM 0 HD3 ARG A 72 -0.758 -1.157 10.429 1.00 14.22 H new ATOM 0 HE ARG A 72 0.497 -3.291 12.089 1.00 42.42 H new ATOM 0 HH11 ARG A 72 -2.101 -1.021 11.516 1.00 14.20 H new ATOM 0 HH12 ARG A 72 -3.074 -1.656 12.846 1.00 14.20 H new ATOM 0 HH21 ARG A 72 -0.738 -4.052 13.750 1.00 11.24 H new ATOM 0 HH22 ARG A 72 -2.319 -3.337 14.084 1.00 11.24 H new ATOM 1199 N VAL A 73 2.784 -2.976 6.690 1.00 2.40 N ATOM 1200 CA VAL A 73 2.895 -2.079 5.544 1.00 44.51 C ATOM 1201 C VAL A 73 1.646 -1.195 5.455 1.00 70.41 C ATOM 1202 O VAL A 73 0.523 -1.700 5.471 1.00 11.50 O ATOM 1203 CB VAL A 73 3.055 -2.874 4.224 1.00 2.22 C ATOM 1204 CG1 VAL A 73 3.175 -1.932 3.028 1.00 61.25 C ATOM 1205 CG2 VAL A 73 4.260 -3.811 4.305 1.00 45.03 C ATOM 0 H VAL A 73 2.269 -3.835 6.496 1.00 2.40 H new ATOM 0 HA VAL A 73 3.781 -1.459 5.684 1.00 44.51 H new ATOM 0 HB VAL A 73 2.160 -3.480 4.081 1.00 2.22 H new ATOM 0 HG11 VAL A 73 3.286 -2.516 2.114 1.00 61.25 H new ATOM 0 HG12 VAL A 73 2.278 -1.317 2.958 1.00 61.25 H new ATOM 0 HG13 VAL A 73 4.046 -1.290 3.157 1.00 61.25 H new ATOM 0 HG21 VAL A 73 4.357 -4.361 3.369 1.00 45.03 H new ATOM 0 HG22 VAL A 73 5.164 -3.227 4.478 1.00 45.03 H new ATOM 0 HG23 VAL A 73 4.120 -4.514 5.126 1.00 45.03 H new ATOM 1215 N THR A 74 1.832 0.120 5.378 1.00 4.13 N ATOM 1216 CA THR A 74 0.691 1.047 5.351 1.00 21.33 C ATOM 1217 C THR A 74 0.870 2.165 4.313 1.00 34.44 C ATOM 1218 O THR A 74 1.860 2.901 4.333 1.00 23.04 O ATOM 1219 CB THR A 74 0.448 1.689 6.738 1.00 74.42 C ATOM 1220 OG1 THR A 74 0.316 0.672 7.742 1.00 44.44 O ATOM 1221 CG2 THR A 74 -0.806 2.560 6.734 1.00 10.42 C ATOM 0 H THR A 74 2.747 0.569 5.333 1.00 4.13 H new ATOM 0 HA THR A 74 -0.173 0.445 5.070 1.00 21.33 H new ATOM 0 HB THR A 74 1.309 2.318 6.965 1.00 74.42 H new ATOM 0 HG1 THR A 74 0.164 1.091 8.615 1.00 44.44 H new ATOM 0 HG21 THR A 74 -0.949 2.996 7.722 1.00 10.42 H new ATOM 0 HG22 THR A 74 -0.693 3.356 5.998 1.00 10.42 H new ATOM 0 HG23 THR A 74 -1.672 1.950 6.478 1.00 10.42 H new ATOM 1229 N LEU A 75 -0.101 2.277 3.411 1.00 2.22 N ATOM 1230 CA LEU A 75 -0.145 3.362 2.430 1.00 30.24 C ATOM 1231 C LEU A 75 -1.047 4.502 2.932 1.00 61.24 C ATOM 1232 O LEU A 75 -2.240 4.299 3.184 1.00 21.42 O ATOM 1233 CB LEU A 75 -0.663 2.833 1.081 1.00 25.15 C ATOM 1234 CG LEU A 75 -0.748 3.873 -0.048 1.00 72.25 C ATOM 1235 CD1 LEU A 75 0.633 4.440 -0.371 1.00 34.11 C ATOM 1236 CD2 LEU A 75 -1.395 3.261 -1.290 1.00 43.52 C ATOM 0 H LEU A 75 -0.879 1.621 3.338 1.00 2.22 H new ATOM 0 HA LEU A 75 0.864 3.751 2.294 1.00 30.24 H new ATOM 0 HB2 LEU A 75 -0.013 2.021 0.755 1.00 25.15 H new ATOM 0 HB3 LEU A 75 -1.654 2.406 1.234 1.00 25.15 H new ATOM 0 HG LEU A 75 -1.375 4.698 0.291 1.00 72.25 H new ATOM 0 HD11 LEU A 75 0.547 5.173 -1.173 1.00 34.11 H new ATOM 0 HD12 LEU A 75 1.046 4.919 0.516 1.00 34.11 H new ATOM 0 HD13 LEU A 75 1.293 3.632 -0.688 1.00 34.11 H new ATOM 0 HD21 LEU A 75 -1.448 4.011 -2.080 1.00 43.52 H new ATOM 0 HD22 LEU A 75 -0.798 2.415 -1.632 1.00 43.52 H new ATOM 0 HD23 LEU A 75 -2.401 2.920 -1.046 1.00 43.52 H new ATOM 1248 N LEU A 76 -0.472 5.693 3.089 1.00 73.14 N ATOM 1249 CA LEU A 76 -1.220 6.864 3.560 1.00 14.23 C ATOM 1250 C LEU A 76 -1.446 7.876 2.426 1.00 73.42 C ATOM 1251 O LEU A 76 -0.499 8.490 1.922 1.00 1.11 O ATOM 1252 CB LEU A 76 -0.482 7.540 4.726 1.00 1.52 C ATOM 1253 CG LEU A 76 -0.332 6.685 5.998 1.00 41.31 C ATOM 1254 CD1 LEU A 76 0.408 7.462 7.086 1.00 70.52 C ATOM 1255 CD2 LEU A 76 -1.700 6.220 6.498 1.00 62.51 C ATOM 0 H LEU A 76 0.513 5.876 2.897 1.00 73.14 H new ATOM 0 HA LEU A 76 -2.193 6.517 3.907 1.00 14.23 H new ATOM 0 HB2 LEU A 76 0.512 7.831 4.385 1.00 1.52 H new ATOM 0 HB3 LEU A 76 -1.011 8.457 4.986 1.00 1.52 H new ATOM 0 HG LEU A 76 0.258 5.803 5.751 1.00 41.31 H new ATOM 0 HD11 LEU A 76 0.503 6.840 7.976 1.00 70.52 H new ATOM 0 HD12 LEU A 76 1.400 7.736 6.727 1.00 70.52 H new ATOM 0 HD13 LEU A 76 -0.151 8.365 7.332 1.00 70.52 H new ATOM 0 HD21 LEU A 76 -1.573 5.617 7.397 1.00 62.51 H new ATOM 0 HD22 LEU A 76 -2.318 7.088 6.727 1.00 62.51 H new ATOM 0 HD23 LEU A 76 -2.186 5.623 5.726 1.00 62.51 H new ATOM 1267 N ILE A 77 -2.706 8.039 2.031 1.00 32.44 N ATOM 1268 CA ILE A 77 -3.079 8.966 0.958 1.00 70.12 C ATOM 1269 C ILE A 77 -3.940 10.119 1.497 1.00 5.24 C ATOM 1270 O ILE A 77 -5.026 9.902 2.039 1.00 32.21 O ATOM 1271 CB ILE A 77 -3.842 8.226 -0.167 1.00 41.24 C ATOM 1272 CG1 ILE A 77 -2.959 7.116 -0.766 1.00 24.32 C ATOM 1273 CG2 ILE A 77 -4.299 9.206 -1.249 1.00 51.53 C ATOM 1274 CD1 ILE A 77 -3.627 6.315 -1.866 1.00 55.31 C ATOM 0 H ILE A 77 -3.495 7.538 2.440 1.00 32.44 H new ATOM 0 HA ILE A 77 -2.158 9.381 0.548 1.00 70.12 H new ATOM 0 HB ILE A 77 -4.732 7.765 0.261 1.00 41.24 H new ATOM 0 HG12 ILE A 77 -2.048 7.566 -1.162 1.00 24.32 H new ATOM 0 HG13 ILE A 77 -2.659 6.436 0.031 1.00 24.32 H new ATOM 0 HG21 ILE A 77 -4.833 8.664 -2.029 1.00 51.53 H new ATOM 0 HG22 ILE A 77 -4.960 9.952 -0.808 1.00 51.53 H new ATOM 0 HG23 ILE A 77 -3.430 9.702 -1.682 1.00 51.53 H new ATOM 0 HD11 ILE A 77 -2.937 5.555 -2.233 1.00 55.31 H new ATOM 0 HD12 ILE A 77 -4.522 5.833 -1.473 1.00 55.31 H new ATOM 0 HD13 ILE A 77 -3.902 6.980 -2.684 1.00 55.31 H new ATOM 1286 N LYS A 78 -3.443 11.343 1.347 1.00 5.25 N ATOM 1287 CA LYS A 78 -4.107 12.539 1.876 1.00 34.01 C ATOM 1288 C LYS A 78 -4.623 13.439 0.743 1.00 42.44 C ATOM 1289 O LYS A 78 -4.075 13.427 -0.361 1.00 72.02 O ATOM 1290 CB LYS A 78 -3.114 13.334 2.730 1.00 53.44 C ATOM 1291 CG LYS A 78 -2.359 12.488 3.748 1.00 71.23 C ATOM 1292 CD LYS A 78 -1.260 13.291 4.433 1.00 64.15 C ATOM 1293 CE LYS A 78 -0.287 12.395 5.183 1.00 23.12 C ATOM 1294 NZ LYS A 78 0.773 13.184 5.858 1.00 55.00 N ATOM 0 H LYS A 78 -2.570 11.538 0.857 1.00 5.25 H new ATOM 0 HA LYS A 78 -4.957 12.217 2.477 1.00 34.01 H new ATOM 0 HB2 LYS A 78 -2.394 13.822 2.073 1.00 53.44 H new ATOM 0 HB3 LYS A 78 -3.652 14.123 3.256 1.00 53.44 H new ATOM 0 HG2 LYS A 78 -3.055 12.109 4.496 1.00 71.23 H new ATOM 0 HG3 LYS A 78 -1.923 11.622 3.251 1.00 71.23 H new ATOM 0 HD2 LYS A 78 -0.717 13.873 3.688 1.00 64.15 H new ATOM 0 HD3 LYS A 78 -1.708 14.001 5.127 1.00 64.15 H new ATOM 0 HE2 LYS A 78 -0.830 11.806 5.923 1.00 23.12 H new ATOM 0 HE3 LYS A 78 0.170 11.691 4.488 1.00 23.12 H new ATOM 0 HZ1 LYS A 78 1.572 12.561 6.094 1.00 55.00 H new ATOM 0 HZ2 LYS A 78 1.100 13.941 5.224 1.00 55.00 H new ATOM 0 HZ3 LYS A 78 0.391 13.604 6.730 1.00 55.00 H new ATOM 1308 N ASP A 79 -5.670 14.224 1.024 1.00 0.10 N ATOM 1309 CA ASP A 79 -6.186 15.218 0.070 1.00 23.35 C ATOM 1310 C ASP A 79 -6.537 14.563 -1.286 1.00 10.42 C ATOM 1311 O ASP A 79 -6.403 15.175 -2.348 1.00 72.21 O ATOM 1312 CB ASP A 79 -5.141 16.338 -0.116 1.00 53.51 C ATOM 1313 CG ASP A 79 -5.773 17.693 -0.387 1.00 12.04 C ATOM 1314 OD1 ASP A 79 -6.211 17.936 -1.525 1.00 25.24 O ATOM 1315 OD2 ASP A 79 -5.835 18.529 0.540 1.00 21.22 O ATOM 0 H ASP A 79 -6.179 14.191 1.907 1.00 0.10 H new ATOM 0 HA ASP A 79 -7.105 15.646 0.470 1.00 23.35 H new ATOM 0 HB2 ASP A 79 -4.522 16.403 0.779 1.00 53.51 H new ATOM 0 HB3 ASP A 79 -4.480 16.078 -0.943 1.00 53.51 H new ATOM 1320 N VAL A 80 -7.012 13.321 -1.231 1.00 52.44 N ATOM 1321 CA VAL A 80 -7.269 12.523 -2.438 1.00 54.23 C ATOM 1322 C VAL A 80 -8.577 12.938 -3.141 1.00 62.51 C ATOM 1323 O VAL A 80 -9.576 13.240 -2.490 1.00 32.10 O ATOM 1324 CB VAL A 80 -7.331 11.010 -2.087 1.00 24.42 C ATOM 1325 CG1 VAL A 80 -8.588 10.682 -1.296 1.00 60.11 C ATOM 1326 CG2 VAL A 80 -7.249 10.144 -3.338 1.00 60.03 C ATOM 0 H VAL A 80 -7.230 12.838 -0.359 1.00 52.44 H new ATOM 0 HA VAL A 80 -6.442 12.710 -3.123 1.00 54.23 H new ATOM 0 HB VAL A 80 -6.465 10.786 -1.464 1.00 24.42 H new ATOM 0 HG11 VAL A 80 -8.605 9.617 -1.064 1.00 60.11 H new ATOM 0 HG12 VAL A 80 -8.594 11.255 -0.369 1.00 60.11 H new ATOM 0 HG13 VAL A 80 -9.467 10.939 -1.887 1.00 60.11 H new ATOM 0 HG21 VAL A 80 -7.295 9.092 -3.056 1.00 60.03 H new ATOM 0 HG22 VAL A 80 -8.083 10.379 -3.999 1.00 60.03 H new ATOM 0 HG23 VAL A 80 -6.310 10.340 -3.855 1.00 60.03 H new ATOM 1336 N ASN A 81 -8.562 12.962 -4.474 1.00 74.44 N ATOM 1337 CA ASN A 81 -9.767 13.267 -5.262 1.00 34.34 C ATOM 1338 C ASN A 81 -10.093 12.126 -6.246 1.00 51.31 C ATOM 1339 O ASN A 81 -9.371 11.133 -6.310 1.00 14.24 O ATOM 1340 CB ASN A 81 -9.590 14.601 -6.001 1.00 51.51 C ATOM 1341 CG ASN A 81 -8.292 14.675 -6.784 1.00 5.43 C ATOM 1342 OD1 ASN A 81 -7.257 15.045 -6.248 1.00 41.45 O ATOM 1343 ND2 ASN A 81 -8.338 14.353 -8.061 1.00 31.31 N ATOM 0 H ASN A 81 -7.731 12.775 -5.035 1.00 74.44 H new ATOM 0 HA ASN A 81 -10.612 13.359 -4.579 1.00 34.34 H new ATOM 0 HB2 ASN A 81 -10.428 14.747 -6.682 1.00 51.51 H new ATOM 0 HB3 ASN A 81 -9.620 15.417 -5.279 1.00 51.51 H new ATOM 0 HD21 ASN A 81 -7.494 14.409 -8.632 1.00 31.31 H new ATOM 0 HD22 ASN A 81 -9.217 14.048 -8.479 1.00 31.31 H new ATOM 1350 N LYS A 82 -11.189 12.270 -7.003 1.00 44.40 N ATOM 1351 CA LYS A 82 -11.642 11.226 -7.949 1.00 72.01 C ATOM 1352 C LYS A 82 -10.500 10.676 -8.820 1.00 14.35 C ATOM 1353 O LYS A 82 -10.307 9.463 -8.917 1.00 20.14 O ATOM 1354 CB LYS A 82 -12.750 11.770 -8.868 1.00 20.23 C ATOM 1355 CG LYS A 82 -14.094 12.014 -8.183 1.00 63.44 C ATOM 1356 CD LYS A 82 -14.731 10.708 -7.707 1.00 34.04 C ATOM 1357 CE LYS A 82 -16.225 10.862 -7.455 1.00 45.14 C ATOM 1358 NZ LYS A 82 -16.866 9.560 -7.120 1.00 52.23 N ATOM 0 H LYS A 82 -11.783 13.099 -6.983 1.00 44.40 H new ATOM 0 HA LYS A 82 -12.025 10.409 -7.338 1.00 72.01 H new ATOM 0 HB2 LYS A 82 -12.408 12.706 -9.309 1.00 20.23 H new ATOM 0 HB3 LYS A 82 -12.899 11.067 -9.688 1.00 20.23 H new ATOM 0 HG2 LYS A 82 -13.953 12.681 -7.333 1.00 63.44 H new ATOM 0 HG3 LYS A 82 -14.769 12.517 -8.875 1.00 63.44 H new ATOM 0 HD2 LYS A 82 -14.567 9.931 -8.454 1.00 34.04 H new ATOM 0 HD3 LYS A 82 -14.241 10.378 -6.791 1.00 34.04 H new ATOM 0 HE2 LYS A 82 -16.385 11.567 -6.639 1.00 45.14 H new ATOM 0 HE3 LYS A 82 -16.701 11.285 -8.340 1.00 45.14 H new ATOM 0 HZ1 LYS A 82 -17.708 9.728 -6.533 1.00 52.23 H new ATOM 0 HZ2 LYS A 82 -17.146 9.075 -7.996 1.00 52.23 H new ATOM 0 HZ3 LYS A 82 -16.192 8.966 -6.596 1.00 52.23 H new ATOM 1372 N LYS A 83 -9.749 11.576 -9.448 1.00 14.13 N ATOM 1373 CA LYS A 83 -8.654 11.188 -10.350 1.00 25.03 C ATOM 1374 C LYS A 83 -7.543 10.388 -9.640 1.00 32.13 C ATOM 1375 O LYS A 83 -6.679 9.798 -10.294 1.00 5.44 O ATOM 1376 CB LYS A 83 -8.059 12.438 -11.017 1.00 3.24 C ATOM 1377 CG LYS A 83 -9.039 13.182 -11.922 1.00 23.22 C ATOM 1378 CD LYS A 83 -9.585 12.277 -13.025 1.00 4.22 C ATOM 1379 CE LYS A 83 -10.506 13.029 -13.978 1.00 21.51 C ATOM 1380 NZ LYS A 83 -9.799 14.123 -14.697 1.00 3.25 N ATOM 0 H LYS A 83 -9.874 12.584 -9.352 1.00 14.13 H new ATOM 0 HA LYS A 83 -9.083 10.529 -11.105 1.00 25.03 H new ATOM 0 HB2 LYS A 83 -7.707 13.119 -10.242 1.00 3.24 H new ATOM 0 HB3 LYS A 83 -7.188 12.145 -11.604 1.00 3.24 H new ATOM 0 HG2 LYS A 83 -9.865 13.568 -11.325 1.00 23.22 H new ATOM 0 HG3 LYS A 83 -8.541 14.042 -12.370 1.00 23.22 H new ATOM 0 HD2 LYS A 83 -8.755 11.848 -13.586 1.00 4.22 H new ATOM 0 HD3 LYS A 83 -10.129 11.446 -12.576 1.00 4.22 H new ATOM 0 HE2 LYS A 83 -10.924 12.331 -14.703 1.00 21.51 H new ATOM 0 HE3 LYS A 83 -11.343 13.446 -13.418 1.00 21.51 H new ATOM 0 HZ1 LYS A 83 -10.397 14.472 -15.473 1.00 3.25 H new ATOM 0 HZ2 LYS A 83 -9.600 14.901 -14.036 1.00 3.25 H new ATOM 0 HZ3 LYS A 83 -8.904 13.762 -15.085 1.00 3.25 H new ATOM 1394 N ASP A 84 -7.553 10.368 -8.307 1.00 11.32 N ATOM 1395 CA ASP A 84 -6.562 9.597 -7.549 1.00 34.41 C ATOM 1396 C ASP A 84 -7.104 8.237 -7.081 1.00 13.25 C ATOM 1397 O ASP A 84 -6.374 7.453 -6.470 1.00 53.11 O ATOM 1398 CB ASP A 84 -6.050 10.400 -6.350 1.00 63.40 C ATOM 1399 CG ASP A 84 -5.213 11.591 -6.774 1.00 22.23 C ATOM 1400 OD1 ASP A 84 -4.250 11.396 -7.550 1.00 11.45 O ATOM 1401 OD2 ASP A 84 -5.493 12.719 -6.324 1.00 64.44 O ATOM 0 H ASP A 84 -8.229 10.871 -7.732 1.00 11.32 H new ATOM 0 HA ASP A 84 -5.734 9.400 -8.230 1.00 34.41 H new ATOM 0 HB2 ASP A 84 -6.897 10.746 -5.758 1.00 63.40 H new ATOM 0 HB3 ASP A 84 -5.456 9.751 -5.707 1.00 63.40 H new ATOM 1406 N ALA A 85 -8.371 7.948 -7.370 1.00 43.14 N ATOM 1407 CA ALA A 85 -8.951 6.646 -7.021 1.00 0.03 C ATOM 1408 C ALA A 85 -8.597 5.593 -8.080 1.00 21.23 C ATOM 1409 O ALA A 85 -8.513 5.898 -9.272 1.00 33.14 O ATOM 1410 CB ALA A 85 -10.466 6.764 -6.884 1.00 41.41 C ATOM 0 H ALA A 85 -9.012 8.587 -7.840 1.00 43.14 H new ATOM 0 HA ALA A 85 -8.533 6.329 -6.066 1.00 0.03 H new ATOM 0 HB1 ALA A 85 -10.885 5.792 -6.625 1.00 41.41 H new ATOM 0 HB2 ALA A 85 -10.706 7.483 -6.100 1.00 41.41 H new ATOM 0 HB3 ALA A 85 -10.892 7.102 -7.829 1.00 41.41 H new ATOM 1416 N GLY A 86 -8.381 4.353 -7.649 1.00 62.04 N ATOM 1417 CA GLY A 86 -8.028 3.299 -8.592 1.00 41.31 C ATOM 1418 C GLY A 86 -7.761 1.949 -7.937 1.00 52.02 C ATOM 1419 O GLY A 86 -7.972 1.770 -6.735 1.00 13.51 O ATOM 0 H GLY A 86 -8.443 4.058 -6.674 1.00 62.04 H new ATOM 0 HA2 GLY A 86 -8.835 3.187 -9.316 1.00 41.31 H new ATOM 0 HA3 GLY A 86 -7.141 3.604 -9.148 1.00 41.31 H new ATOM 1423 N TRP A 87 -7.292 1.001 -8.745 1.00 24.14 N ATOM 1424 CA TRP A 87 -6.814 -0.289 -8.242 1.00 12.12 C ATOM 1425 C TRP A 87 -5.291 -0.275 -8.052 1.00 24.11 C ATOM 1426 O TRP A 87 -4.529 -0.078 -9.004 1.00 31.32 O ATOM 1427 CB TRP A 87 -7.216 -1.429 -9.189 1.00 23.44 C ATOM 1428 CG TRP A 87 -8.620 -1.917 -8.979 1.00 74.53 C ATOM 1429 CD1 TRP A 87 -9.762 -1.422 -9.541 1.00 74.23 C ATOM 1430 CD2 TRP A 87 -9.023 -3.004 -8.139 1.00 30.02 C ATOM 1431 NE1 TRP A 87 -10.847 -2.139 -9.102 1.00 13.10 N ATOM 1432 CE2 TRP A 87 -10.420 -3.118 -8.244 1.00 2.01 C ATOM 1433 CE3 TRP A 87 -8.333 -3.897 -7.308 1.00 24.32 C ATOM 1434 CZ2 TRP A 87 -11.142 -4.088 -7.551 1.00 74.23 C ATOM 1435 CZ3 TRP A 87 -9.050 -4.857 -6.621 1.00 52.32 C ATOM 1436 CH2 TRP A 87 -10.444 -4.947 -6.746 1.00 32.44 C ATOM 0 H TRP A 87 -7.232 1.101 -9.758 1.00 24.14 H new ATOM 0 HA TRP A 87 -7.282 -0.460 -7.273 1.00 12.12 H new ATOM 0 HB2 TRP A 87 -7.108 -1.090 -10.219 1.00 23.44 H new ATOM 0 HB3 TRP A 87 -6.526 -2.262 -9.054 1.00 23.44 H new ATOM 0 HD1 TRP A 87 -9.805 -0.590 -10.229 1.00 74.23 H new ATOM 0 HE1 TRP A 87 -11.816 -1.970 -9.371 1.00 13.10 H new ATOM 0 HE3 TRP A 87 -7.260 -3.836 -7.207 1.00 24.32 H new ATOM 0 HZ2 TRP A 87 -12.215 -4.159 -7.646 1.00 74.23 H new ATOM 0 HZ3 TRP A 87 -8.529 -5.550 -5.977 1.00 52.32 H new ATOM 0 HH2 TRP A 87 -10.977 -5.709 -6.196 1.00 32.44 H new ATOM 1447 N TYR A 88 -4.862 -0.478 -6.813 1.00 31.31 N ATOM 1448 CA TYR A 88 -3.442 -0.499 -6.462 1.00 41.30 C ATOM 1449 C TYR A 88 -2.877 -1.929 -6.449 1.00 11.44 C ATOM 1450 O TYR A 88 -3.586 -2.894 -6.157 1.00 13.03 O ATOM 1451 CB TYR A 88 -3.226 0.152 -5.087 1.00 0.44 C ATOM 1452 CG TYR A 88 -3.491 1.648 -5.065 1.00 72.21 C ATOM 1453 CD1 TYR A 88 -4.791 2.148 -5.072 1.00 13.10 C ATOM 1454 CD2 TYR A 88 -2.440 2.561 -5.039 1.00 31.41 C ATOM 1455 CE1 TYR A 88 -5.032 3.510 -5.053 1.00 43.55 C ATOM 1456 CE2 TYR A 88 -2.676 3.922 -5.017 1.00 41.15 C ATOM 1457 CZ TYR A 88 -3.971 4.392 -5.026 1.00 14.04 C ATOM 1458 OH TYR A 88 -4.207 5.750 -5.013 1.00 43.41 O ATOM 0 H TYR A 88 -5.486 -0.633 -6.021 1.00 31.31 H new ATOM 0 HA TYR A 88 -2.909 0.067 -7.226 1.00 41.30 H new ATOM 0 HB2 TYR A 88 -3.877 -0.333 -4.360 1.00 0.44 H new ATOM 0 HB3 TYR A 88 -2.200 -0.030 -4.767 1.00 0.44 H new ATOM 0 HD1 TYR A 88 -5.624 1.461 -5.093 1.00 13.10 H new ATOM 0 HD2 TYR A 88 -1.423 2.199 -5.036 1.00 31.41 H new ATOM 0 HE1 TYR A 88 -6.046 3.881 -5.059 1.00 43.55 H new ATOM 0 HE2 TYR A 88 -1.848 4.615 -4.993 1.00 41.15 H new ATOM 0 HH TYR A 88 -4.974 5.954 -5.588 1.00 43.41 H new ATOM 1468 N THR A 89 -1.595 -2.044 -6.770 1.00 34.42 N ATOM 1469 CA THR A 89 -0.879 -3.326 -6.742 1.00 45.00 C ATOM 1470 C THR A 89 0.378 -3.218 -5.870 1.00 14.12 C ATOM 1471 O THR A 89 1.274 -2.424 -6.162 1.00 4.55 O ATOM 1472 CB THR A 89 -0.460 -3.777 -8.167 1.00 4.11 C ATOM 1473 OG1 THR A 89 -1.616 -3.944 -9.004 1.00 51.43 O ATOM 1474 CG2 THR A 89 0.323 -5.087 -8.123 1.00 10.01 C ATOM 0 H THR A 89 -1.016 -1.255 -7.058 1.00 34.42 H new ATOM 0 HA THR A 89 -1.562 -4.066 -6.324 1.00 45.00 H new ATOM 0 HB THR A 89 0.180 -2.998 -8.582 1.00 4.11 H new ATOM 0 HG1 THR A 89 -2.246 -4.558 -8.573 1.00 51.43 H new ATOM 0 HG21 THR A 89 0.603 -5.378 -9.136 1.00 10.01 H new ATOM 0 HG22 THR A 89 1.223 -4.953 -7.522 1.00 10.01 H new ATOM 0 HG23 THR A 89 -0.297 -5.867 -7.680 1.00 10.01 H new ATOM 1482 N VAL A 90 0.440 -4.009 -4.801 1.00 22.33 N ATOM 1483 CA VAL A 90 1.587 -3.993 -3.884 1.00 41.41 C ATOM 1484 C VAL A 90 2.514 -5.203 -4.106 1.00 34.44 C ATOM 1485 O VAL A 90 2.106 -6.359 -3.966 1.00 43.13 O ATOM 1486 CB VAL A 90 1.130 -3.942 -2.399 1.00 44.14 C ATOM 1487 CG1 VAL A 90 0.177 -5.090 -2.068 1.00 51.02 C ATOM 1488 CG2 VAL A 90 2.335 -3.941 -1.458 1.00 60.33 C ATOM 0 H VAL A 90 -0.291 -4.672 -4.544 1.00 22.33 H new ATOM 0 HA VAL A 90 2.149 -3.086 -4.106 1.00 41.41 H new ATOM 0 HB VAL A 90 0.584 -3.010 -2.252 1.00 44.14 H new ATOM 0 HG11 VAL A 90 -0.123 -5.024 -1.022 1.00 51.02 H new ATOM 0 HG12 VAL A 90 -0.706 -5.024 -2.703 1.00 51.02 H new ATOM 0 HG13 VAL A 90 0.679 -6.042 -2.242 1.00 51.02 H new ATOM 0 HG21 VAL A 90 1.990 -3.905 -0.425 1.00 60.33 H new ATOM 0 HG22 VAL A 90 2.919 -4.848 -1.614 1.00 60.33 H new ATOM 0 HG23 VAL A 90 2.956 -3.069 -1.664 1.00 60.33 H new ATOM 1498 N SER A 91 3.761 -4.919 -4.464 1.00 20.41 N ATOM 1499 CA SER A 91 4.771 -5.962 -4.694 1.00 5.42 C ATOM 1500 C SER A 91 5.832 -5.956 -3.586 1.00 74.24 C ATOM 1501 O SER A 91 6.582 -4.990 -3.442 1.00 74.10 O ATOM 1502 CB SER A 91 5.453 -5.755 -6.057 1.00 71.32 C ATOM 1503 OG SER A 91 4.512 -5.761 -7.121 1.00 0.55 O ATOM 0 H SER A 91 4.105 -3.969 -4.604 1.00 20.41 H new ATOM 0 HA SER A 91 4.262 -6.926 -4.686 1.00 5.42 H new ATOM 0 HB2 SER A 91 5.993 -4.808 -6.054 1.00 71.32 H new ATOM 0 HB3 SER A 91 6.190 -6.542 -6.218 1.00 71.32 H new ATOM 0 HG SER A 91 4.979 -5.625 -7.972 1.00 0.55 H new ATOM 1509 N ALA A 92 5.886 -7.031 -2.799 1.00 53.32 N ATOM 1510 CA ALA A 92 6.886 -7.167 -1.731 1.00 23.30 C ATOM 1511 C ALA A 92 7.959 -8.199 -2.108 1.00 54.54 C ATOM 1512 O ALA A 92 7.668 -9.392 -2.244 1.00 3.14 O ATOM 1513 CB ALA A 92 6.205 -7.561 -0.423 1.00 31.44 C ATOM 0 H ALA A 92 5.249 -7.824 -2.879 1.00 53.32 H new ATOM 0 HA ALA A 92 7.378 -6.204 -1.598 1.00 23.30 H new ATOM 0 HB1 ALA A 92 6.955 -7.659 0.362 1.00 31.44 H new ATOM 0 HB2 ALA A 92 5.484 -6.793 -0.142 1.00 31.44 H new ATOM 0 HB3 ALA A 92 5.689 -8.512 -0.553 1.00 31.44 H new ATOM 1519 N VAL A 93 9.201 -7.742 -2.264 1.00 70.31 N ATOM 1520 CA VAL A 93 10.300 -8.625 -2.684 1.00 22.41 C ATOM 1521 C VAL A 93 11.442 -8.685 -1.649 1.00 32.30 C ATOM 1522 O VAL A 93 12.110 -7.685 -1.366 1.00 32.44 O ATOM 1523 CB VAL A 93 10.861 -8.204 -4.070 1.00 1.23 C ATOM 1524 CG1 VAL A 93 11.311 -6.743 -4.065 1.00 23.44 C ATOM 1525 CG2 VAL A 93 12.000 -9.134 -4.503 1.00 21.51 C ATOM 0 H VAL A 93 9.475 -6.772 -2.108 1.00 70.31 H new ATOM 0 HA VAL A 93 9.874 -9.625 -2.761 1.00 22.41 H new ATOM 0 HB VAL A 93 10.056 -8.297 -4.799 1.00 1.23 H new ATOM 0 HG11 VAL A 93 11.699 -6.478 -5.049 1.00 23.44 H new ATOM 0 HG12 VAL A 93 10.463 -6.102 -3.825 1.00 23.44 H new ATOM 0 HG13 VAL A 93 12.093 -6.606 -3.318 1.00 23.44 H new ATOM 0 HG21 VAL A 93 12.377 -8.819 -5.476 1.00 21.51 H new ATOM 0 HG22 VAL A 93 12.806 -9.088 -3.770 1.00 21.51 H new ATOM 0 HG23 VAL A 93 11.629 -10.157 -4.571 1.00 21.51 H new ATOM 1535 N ASN A 94 11.629 -9.867 -1.065 1.00 5.34 N ATOM 1536 CA ASN A 94 12.759 -10.146 -0.168 1.00 12.32 C ATOM 1537 C ASN A 94 13.721 -11.150 -0.831 1.00 54.14 C ATOM 1538 O ASN A 94 13.324 -11.900 -1.723 1.00 21.10 O ATOM 1539 CB ASN A 94 12.243 -10.697 1.174 1.00 32.33 C ATOM 1540 CG ASN A 94 13.359 -11.021 2.155 1.00 21.41 C ATOM 1541 OD1 ASN A 94 14.428 -10.424 2.121 1.00 1.24 O ATOM 1542 ND2 ASN A 94 13.120 -11.971 3.038 1.00 3.10 N ATOM 0 H ASN A 94 11.003 -10.662 -1.198 1.00 5.34 H new ATOM 0 HA ASN A 94 13.301 -9.220 0.023 1.00 12.32 H new ATOM 0 HB2 ASN A 94 11.571 -9.967 1.625 1.00 32.33 H new ATOM 0 HB3 ASN A 94 11.657 -11.597 0.989 1.00 32.33 H new ATOM 0 HD21 ASN A 94 13.836 -12.227 3.718 1.00 3.10 H new ATOM 0 HD22 ASN A 94 12.219 -12.450 3.041 1.00 3.10 H new ATOM 1549 N GLU A 95 14.979 -11.180 -0.392 1.00 22.03 N ATOM 1550 CA GLU A 95 15.966 -12.115 -0.952 1.00 73.02 C ATOM 1551 C GLU A 95 15.504 -13.577 -0.802 1.00 11.11 C ATOM 1552 O GLU A 95 15.860 -14.444 -1.606 1.00 25.43 O ATOM 1553 CB GLU A 95 17.336 -11.918 -0.284 1.00 33.34 C ATOM 1554 CG GLU A 95 17.349 -12.182 1.221 1.00 5.44 C ATOM 1555 CD GLU A 95 18.728 -11.988 1.838 1.00 52.22 C ATOM 1556 OE1 GLU A 95 19.617 -12.835 1.594 1.00 41.14 O ATOM 1557 OE2 GLU A 95 18.934 -10.988 2.558 1.00 71.54 O ATOM 0 H GLU A 95 15.341 -10.574 0.344 1.00 22.03 H new ATOM 0 HA GLU A 95 16.059 -11.899 -2.016 1.00 73.02 H new ATOM 0 HB2 GLU A 95 18.058 -12.579 -0.763 1.00 33.34 H new ATOM 0 HB3 GLU A 95 17.671 -10.896 -0.464 1.00 33.34 H new ATOM 0 HG2 GLU A 95 16.639 -11.514 1.709 1.00 5.44 H new ATOM 0 HG3 GLU A 95 17.010 -13.201 1.410 1.00 5.44 H new ATOM 1564 N ALA A 96 14.720 -13.844 0.242 1.00 53.54 N ATOM 1565 CA ALA A 96 14.152 -15.175 0.471 1.00 70.13 C ATOM 1566 C ALA A 96 13.039 -15.520 -0.540 1.00 63.02 C ATOM 1567 O ALA A 96 12.860 -16.684 -0.901 1.00 2.35 O ATOM 1568 CB ALA A 96 13.627 -15.284 1.898 1.00 31.14 C ATOM 0 H ALA A 96 14.462 -13.153 0.947 1.00 53.54 H new ATOM 0 HA ALA A 96 14.953 -15.899 0.324 1.00 70.13 H new ATOM 0 HB1 ALA A 96 13.207 -16.277 2.056 1.00 31.14 H new ATOM 0 HB2 ALA A 96 14.444 -15.119 2.600 1.00 31.14 H new ATOM 0 HB3 ALA A 96 12.853 -14.533 2.059 1.00 31.14 H new ATOM 1574 N GLY A 97 12.298 -14.505 -0.995 1.00 33.12 N ATOM 1575 CA GLY A 97 11.185 -14.738 -1.915 1.00 21.34 C ATOM 1576 C GLY A 97 10.370 -13.480 -2.216 1.00 12.14 C ATOM 1577 O GLY A 97 10.617 -12.420 -1.638 1.00 64.01 O ATOM 0 H GLY A 97 12.447 -13.527 -0.745 1.00 33.12 H new ATOM 0 HA2 GLY A 97 11.575 -15.141 -2.850 1.00 21.34 H new ATOM 0 HA3 GLY A 97 10.526 -15.496 -1.491 1.00 21.34 H new ATOM 1581 N VAL A 98 9.379 -13.600 -3.103 1.00 22.13 N ATOM 1582 CA VAL A 98 8.580 -12.445 -3.544 1.00 62.42 C ATOM 1583 C VAL A 98 7.072 -12.770 -3.608 1.00 22.33 C ATOM 1584 O VAL A 98 6.672 -13.870 -3.992 1.00 64.44 O ATOM 1585 CB VAL A 98 9.059 -11.935 -4.933 1.00 22.51 C ATOM 1586 CG1 VAL A 98 8.978 -13.045 -5.980 1.00 14.30 C ATOM 1587 CG2 VAL A 98 8.255 -10.710 -5.377 1.00 53.25 C ATOM 0 H VAL A 98 9.108 -14.484 -3.532 1.00 22.13 H new ATOM 0 HA VAL A 98 8.728 -11.663 -2.799 1.00 62.42 H new ATOM 0 HB VAL A 98 10.103 -11.636 -4.836 1.00 22.51 H new ATOM 0 HG11 VAL A 98 9.318 -12.663 -6.942 1.00 14.30 H new ATOM 0 HG12 VAL A 98 9.611 -13.879 -5.676 1.00 14.30 H new ATOM 0 HG13 VAL A 98 7.947 -13.386 -6.069 1.00 14.30 H new ATOM 0 HG21 VAL A 98 8.611 -10.375 -6.351 1.00 53.25 H new ATOM 0 HG22 VAL A 98 7.200 -10.973 -5.447 1.00 53.25 H new ATOM 0 HG23 VAL A 98 8.381 -9.909 -4.649 1.00 53.25 H new ATOM 1597 N THR A 99 6.242 -11.799 -3.218 1.00 74.32 N ATOM 1598 CA THR A 99 4.774 -11.931 -3.280 1.00 65.14 C ATOM 1599 C THR A 99 4.115 -10.606 -3.691 1.00 54.44 C ATOM 1600 O THR A 99 4.584 -9.526 -3.328 1.00 24.44 O ATOM 1601 CB THR A 99 4.172 -12.399 -1.931 1.00 11.23 C ATOM 1602 OG1 THR A 99 2.736 -12.460 -2.020 1.00 42.31 O ATOM 1603 CG2 THR A 99 4.576 -11.466 -0.790 1.00 64.14 C ATOM 0 H THR A 99 6.561 -10.902 -2.852 1.00 74.32 H new ATOM 0 HA THR A 99 4.567 -12.691 -4.034 1.00 65.14 H new ATOM 0 HB THR A 99 4.565 -13.393 -1.719 1.00 11.23 H new ATOM 0 HG1 THR A 99 2.367 -12.758 -1.162 1.00 42.31 H new ATOM 0 HG21 THR A 99 4.138 -11.821 0.143 1.00 64.14 H new ATOM 0 HG22 THR A 99 5.662 -11.452 -0.699 1.00 64.14 H new ATOM 0 HG23 THR A 99 4.216 -10.459 -0.999 1.00 64.14 H new ATOM 1611 N THR A 100 3.042 -10.685 -4.476 1.00 4.11 N ATOM 1612 CA THR A 100 2.351 -9.487 -4.972 1.00 14.05 C ATOM 1613 C THR A 100 0.825 -9.595 -4.804 1.00 23.31 C ATOM 1614 O THR A 100 0.210 -10.585 -5.206 1.00 1.33 O ATOM 1615 CB THR A 100 2.684 -9.228 -6.464 1.00 52.54 C ATOM 1616 OG1 THR A 100 4.105 -9.083 -6.629 1.00 64.11 O ATOM 1617 CG2 THR A 100 1.984 -7.975 -6.977 1.00 45.11 C ATOM 0 H THR A 100 2.629 -11.565 -4.785 1.00 4.11 H new ATOM 0 HA THR A 100 2.708 -8.650 -4.372 1.00 14.05 H new ATOM 0 HB THR A 100 2.329 -10.082 -7.041 1.00 52.54 H new ATOM 0 HG1 THR A 100 4.310 -8.921 -7.574 1.00 64.11 H new ATOM 0 HG21 THR A 100 2.237 -7.820 -8.026 1.00 45.11 H new ATOM 0 HG22 THR A 100 0.905 -8.095 -6.878 1.00 45.11 H new ATOM 0 HG23 THR A 100 2.308 -7.113 -6.394 1.00 45.11 H new ATOM 1625 N CYS A 101 0.218 -8.563 -4.218 1.00 74.32 N ATOM 1626 CA CYS A 101 -1.239 -8.526 -3.989 1.00 5.30 C ATOM 1627 C CYS A 101 -1.839 -7.191 -4.459 1.00 12.23 C ATOM 1628 O CYS A 101 -1.115 -6.287 -4.872 1.00 44.34 O ATOM 1629 CB CYS A 101 -1.557 -8.741 -2.501 1.00 62.41 C ATOM 1630 SG CYS A 101 -3.319 -8.635 -2.092 1.00 31.43 S ATOM 0 H CYS A 101 0.711 -7.733 -3.889 1.00 74.32 H new ATOM 0 HA CYS A 101 -1.686 -9.332 -4.570 1.00 5.30 H new ATOM 0 HB2 CYS A 101 -1.184 -9.720 -2.200 1.00 62.41 H new ATOM 0 HB3 CYS A 101 -1.015 -7.999 -1.915 1.00 62.41 H new ATOM 0 HG CYS A 101 -3.481 -8.832 -0.817 1.00 31.43 H new ATOM 1636 N ASN A 102 -3.162 -7.064 -4.389 1.00 21.02 N ATOM 1637 CA ASN A 102 -3.847 -5.836 -4.816 1.00 71.55 C ATOM 1638 C ASN A 102 -4.640 -5.180 -3.673 1.00 14.13 C ATOM 1639 O ASN A 102 -5.004 -5.827 -2.691 1.00 62.43 O ATOM 1640 CB ASN A 102 -4.782 -6.131 -5.996 1.00 35.21 C ATOM 1641 CG ASN A 102 -4.018 -6.397 -7.280 1.00 42.15 C ATOM 1642 OD1 ASN A 102 -3.723 -5.348 -8.018 1.00 51.33 O flip ATOM 1643 ND2 ASN A 102 -3.683 -7.532 -7.601 1.00 1.23 N flip ATOM 0 H ASN A 102 -3.785 -7.793 -4.042 1.00 21.02 H new ATOM 0 HA ASN A 102 -3.075 -5.132 -5.126 1.00 71.55 H new ATOM 0 HB2 ASN A 102 -5.402 -6.995 -5.759 1.00 35.21 H new ATOM 0 HB3 ASN A 102 -5.455 -5.287 -6.144 1.00 35.21 H new ATOM 0 HD21 ASN A 102 -3.928 -8.323 -7.006 1.00 1.23 H new ATOM 0 HD22 ASN A 102 -3.159 -7.685 -8.463 1.00 1.23 H new ATOM 1650 N THR A 103 -4.874 -3.878 -3.814 1.00 14.51 N ATOM 1651 CA THR A 103 -5.689 -3.102 -2.870 1.00 31.25 C ATOM 1652 C THR A 103 -6.491 -2.039 -3.632 1.00 11.31 C ATOM 1653 O THR A 103 -6.003 -1.490 -4.613 1.00 42.22 O ATOM 1654 CB THR A 103 -4.808 -2.409 -1.800 1.00 43.14 C ATOM 1655 OG1 THR A 103 -3.957 -3.374 -1.163 1.00 62.04 O ATOM 1656 CG2 THR A 103 -5.662 -1.713 -0.741 1.00 22.51 C ATOM 0 H THR A 103 -4.505 -3.325 -4.587 1.00 14.51 H new ATOM 0 HA THR A 103 -6.366 -3.791 -2.364 1.00 31.25 H new ATOM 0 HB THR A 103 -4.202 -1.657 -2.305 1.00 43.14 H new ATOM 0 HG1 THR A 103 -3.403 -2.927 -0.489 1.00 62.04 H new ATOM 0 HG21 THR A 103 -5.013 -1.237 -0.006 1.00 22.51 H new ATOM 0 HG22 THR A 103 -6.287 -0.957 -1.217 1.00 22.51 H new ATOM 0 HG23 THR A 103 -6.296 -2.448 -0.244 1.00 22.51 H new ATOM 1664 N ARG A 104 -7.713 -1.742 -3.201 1.00 21.52 N ATOM 1665 CA ARG A 104 -8.554 -0.775 -3.928 1.00 64.43 C ATOM 1666 C ARG A 104 -8.869 0.480 -3.093 1.00 61.31 C ATOM 1667 O ARG A 104 -9.036 0.412 -1.876 1.00 24.35 O ATOM 1668 CB ARG A 104 -9.862 -1.437 -4.374 1.00 44.04 C ATOM 1669 CG ARG A 104 -10.654 -0.597 -5.371 1.00 73.24 C ATOM 1670 CD ARG A 104 -11.990 -1.231 -5.725 1.00 61.12 C ATOM 1671 NE ARG A 104 -12.602 -0.593 -6.890 1.00 21.31 N ATOM 1672 CZ ARG A 104 -13.885 -0.407 -7.035 1.00 51.03 C ATOM 1673 NH1 ARG A 104 -14.704 -0.715 -6.083 1.00 52.13 N ATOM 1674 NH2 ARG A 104 -14.342 0.111 -8.127 1.00 73.44 N ATOM 0 H ARG A 104 -8.144 -2.144 -2.369 1.00 21.52 H new ATOM 0 HA ARG A 104 -7.983 -0.455 -4.800 1.00 64.43 H new ATOM 0 HB2 ARG A 104 -9.637 -2.405 -4.823 1.00 44.04 H new ATOM 0 HB3 ARG A 104 -10.481 -1.628 -3.498 1.00 44.04 H new ATOM 0 HG2 ARG A 104 -10.824 0.395 -4.953 1.00 73.24 H new ATOM 0 HG3 ARG A 104 -10.066 -0.463 -6.279 1.00 73.24 H new ATOM 0 HD2 ARG A 104 -11.847 -2.293 -5.925 1.00 61.12 H new ATOM 0 HD3 ARG A 104 -12.665 -1.156 -4.873 1.00 61.12 H new ATOM 0 HE ARG A 104 -11.986 -0.273 -7.637 1.00 21.31 H new ATOM 0 HH11 ARG A 104 -14.348 -1.106 -5.211 1.00 52.13 H new ATOM 0 HH12 ARG A 104 -15.706 -0.567 -6.204 1.00 52.13 H new ATOM 0 HH21 ARG A 104 -13.700 0.374 -8.875 1.00 73.44 H new ATOM 0 HH22 ARG A 104 -15.345 0.257 -8.242 1.00 73.44 H new ATOM 1688 N LEU A 105 -8.948 1.626 -3.770 1.00 0.44 N ATOM 1689 CA LEU A 105 -9.328 2.895 -3.137 1.00 43.52 C ATOM 1690 C LEU A 105 -10.437 3.595 -3.936 1.00 42.11 C ATOM 1691 O LEU A 105 -10.268 3.891 -5.124 1.00 31.10 O ATOM 1692 CB LEU A 105 -8.110 3.826 -3.025 1.00 0.04 C ATOM 1693 CG LEU A 105 -8.413 5.248 -2.514 1.00 62.34 C ATOM 1694 CD1 LEU A 105 -9.003 5.209 -1.108 1.00 12.25 C ATOM 1695 CD2 LEU A 105 -7.157 6.116 -2.557 1.00 4.52 C ATOM 0 H LEU A 105 -8.752 1.704 -4.768 1.00 0.44 H new ATOM 0 HA LEU A 105 -9.702 2.671 -2.138 1.00 43.52 H new ATOM 0 HB2 LEU A 105 -7.381 3.365 -2.358 1.00 0.04 H new ATOM 0 HB3 LEU A 105 -7.640 3.902 -4.006 1.00 0.04 H new ATOM 0 HG LEU A 105 -9.156 5.695 -3.175 1.00 62.34 H new ATOM 0 HD11 LEU A 105 -9.208 6.225 -0.771 1.00 12.25 H new ATOM 0 HD12 LEU A 105 -9.930 4.636 -1.118 1.00 12.25 H new ATOM 0 HD13 LEU A 105 -8.293 4.737 -0.428 1.00 12.25 H new ATOM 0 HD21 LEU A 105 -7.393 7.116 -2.192 1.00 4.52 H new ATOM 0 HD22 LEU A 105 -6.386 5.672 -1.927 1.00 4.52 H new ATOM 0 HD23 LEU A 105 -6.794 6.180 -3.583 1.00 4.52 H new ATOM 1707 N ASP A 106 -11.567 3.860 -3.281 1.00 72.44 N ATOM 1708 CA ASP A 106 -12.687 4.566 -3.911 1.00 42.21 C ATOM 1709 C ASP A 106 -12.844 5.984 -3.340 1.00 31.41 C ATOM 1710 O ASP A 106 -12.789 6.192 -2.127 1.00 24.41 O ATOM 1711 CB ASP A 106 -13.993 3.779 -3.727 1.00 14.23 C ATOM 1712 CG ASP A 106 -14.033 2.507 -4.559 1.00 60.53 C ATOM 1713 OD1 ASP A 106 -14.495 2.571 -5.724 1.00 25.44 O ATOM 1714 OD2 ASP A 106 -13.611 1.445 -4.057 1.00 34.32 O ATOM 0 H ASP A 106 -11.733 3.596 -2.310 1.00 72.44 H new ATOM 0 HA ASP A 106 -12.469 4.648 -4.976 1.00 42.21 H new ATOM 0 HB2 ASP A 106 -14.113 3.524 -2.674 1.00 14.23 H new ATOM 0 HB3 ASP A 106 -14.836 4.413 -4.000 1.00 14.23 H new ATOM 1719 N VAL A 107 -13.035 6.962 -4.224 1.00 20.43 N ATOM 1720 CA VAL A 107 -13.245 8.354 -3.806 1.00 3.01 C ATOM 1721 C VAL A 107 -14.602 8.884 -4.295 1.00 74.12 C ATOM 1722 O VAL A 107 -15.087 8.507 -5.364 1.00 43.02 O ATOM 1723 CB VAL A 107 -12.109 9.281 -4.316 1.00 74.22 C ATOM 1724 CG1 VAL A 107 -12.330 10.721 -3.851 1.00 21.32 C ATOM 1725 CG2 VAL A 107 -10.746 8.770 -3.850 1.00 65.42 C ATOM 0 H VAL A 107 -13.049 6.820 -5.234 1.00 20.43 H new ATOM 0 HA VAL A 107 -13.235 8.361 -2.716 1.00 3.01 H new ATOM 0 HB VAL A 107 -12.127 9.269 -5.406 1.00 74.22 H new ATOM 0 HG11 VAL A 107 -11.521 11.351 -4.221 1.00 21.32 H new ATOM 0 HG12 VAL A 107 -13.281 11.087 -4.239 1.00 21.32 H new ATOM 0 HG13 VAL A 107 -12.346 10.753 -2.762 1.00 21.32 H new ATOM 0 HG21 VAL A 107 -9.963 9.434 -4.218 1.00 65.42 H new ATOM 0 HG22 VAL A 107 -10.719 8.746 -2.761 1.00 65.42 H new ATOM 0 HG23 VAL A 107 -10.582 7.765 -4.239 1.00 65.42 H new ATOM 1735 N THR A 108 -15.206 9.763 -3.503 1.00 31.52 N ATOM 1736 CA THR A 108 -16.524 10.332 -3.807 1.00 0.41 C ATOM 1737 C THR A 108 -16.503 11.865 -3.702 1.00 74.13 C ATOM 1738 O THR A 108 -15.777 12.428 -2.884 1.00 72.24 O ATOM 1739 CB THR A 108 -17.601 9.762 -2.852 1.00 50.13 C ATOM 1740 OG1 THR A 108 -17.697 8.340 -3.022 1.00 63.34 O ATOM 1741 CG2 THR A 108 -18.972 10.389 -3.095 1.00 12.04 C ATOM 0 H THR A 108 -14.800 10.104 -2.632 1.00 31.52 H new ATOM 0 HA THR A 108 -16.772 10.055 -4.831 1.00 0.41 H new ATOM 0 HB THR A 108 -17.295 10.003 -1.834 1.00 50.13 H new ATOM 0 HG1 THR A 108 -18.378 7.983 -2.415 1.00 63.34 H new ATOM 0 HG21 THR A 108 -19.696 9.959 -2.403 1.00 12.04 H new ATOM 0 HG22 THR A 108 -18.913 11.466 -2.936 1.00 12.04 H new ATOM 0 HG23 THR A 108 -19.287 10.190 -4.119 1.00 12.04 H new ATOM 1749 N ALA A 109 -17.297 12.537 -4.530 1.00 13.44 N ATOM 1750 CA ALA A 109 -17.317 14.003 -4.559 1.00 52.25 C ATOM 1751 C ALA A 109 -18.084 14.584 -3.359 1.00 65.13 C ATOM 1752 O ALA A 109 -19.205 14.164 -3.066 1.00 74.23 O ATOM 1753 CB ALA A 109 -17.930 14.493 -5.865 1.00 42.54 C ATOM 0 H ALA A 109 -17.936 12.094 -5.191 1.00 13.44 H new ATOM 0 HA ALA A 109 -16.286 14.352 -4.493 1.00 52.25 H new ATOM 0 HB1 ALA A 109 -17.940 15.583 -5.876 1.00 42.54 H new ATOM 0 HB2 ALA A 109 -17.339 14.127 -6.704 1.00 42.54 H new ATOM 0 HB3 ALA A 109 -18.951 14.120 -5.950 1.00 42.54 H new ATOM 1759 N ARG A 110 -17.480 15.551 -2.669 1.00 72.32 N ATOM 1760 CA ARG A 110 -18.137 16.203 -1.528 1.00 31.40 C ATOM 1761 C ARG A 110 -19.405 16.955 -1.968 1.00 32.21 C ATOM 1762 O ARG A 110 -19.416 17.599 -3.021 1.00 51.21 O ATOM 1763 CB ARG A 110 -17.186 17.193 -0.833 1.00 40.04 C ATOM 1764 CG ARG A 110 -16.047 16.540 -0.056 1.00 74.11 C ATOM 1765 CD ARG A 110 -15.178 17.587 0.643 1.00 73.35 C ATOM 1766 NE ARG A 110 -14.053 16.998 1.363 1.00 22.53 N ATOM 1767 CZ ARG A 110 -13.087 17.690 1.901 1.00 1.12 C ATOM 1768 NH1 ARG A 110 -13.118 18.986 1.910 1.00 2.33 N ATOM 1769 NH2 ARG A 110 -12.100 17.082 2.462 1.00 40.41 N ATOM 0 H ARG A 110 -16.544 15.901 -2.875 1.00 72.32 H new ATOM 0 HA ARG A 110 -18.413 15.414 -0.828 1.00 31.40 H new ATOM 0 HB2 ARG A 110 -16.761 17.857 -1.585 1.00 40.04 H new ATOM 0 HB3 ARG A 110 -17.765 17.814 -0.150 1.00 40.04 H new ATOM 0 HG2 ARG A 110 -16.456 15.852 0.684 1.00 74.11 H new ATOM 0 HG3 ARG A 110 -15.432 15.949 -0.735 1.00 74.11 H new ATOM 0 HD2 ARG A 110 -14.801 18.292 -0.097 1.00 73.35 H new ATOM 0 HD3 ARG A 110 -15.793 18.156 1.341 1.00 73.35 H new ATOM 0 HE ARG A 110 -14.020 15.982 1.451 1.00 22.53 H new ATOM 0 HH11 ARG A 110 -13.906 19.480 1.492 1.00 2.33 H new ATOM 0 HH12 ARG A 110 -12.354 19.511 2.335 1.00 2.33 H new ATOM 0 HH21 ARG A 110 -12.075 16.063 2.485 1.00 40.41 H new ATOM 0 HH22 ARG A 110 -11.343 17.620 2.884 1.00 40.41 H new ATOM 1783 N PRO A 111 -20.484 16.899 -1.158 1.00 23.22 N ATOM 1784 CA PRO A 111 -21.742 17.608 -1.460 1.00 73.23 C ATOM 1785 C PRO A 111 -21.514 19.116 -1.655 1.00 14.20 C ATOM 1786 O PRO A 111 -22.106 19.740 -2.536 1.00 54.31 O ATOM 1787 CB PRO A 111 -22.630 17.330 -0.231 1.00 31.15 C ATOM 1788 CG PRO A 111 -21.708 16.811 0.825 1.00 54.54 C ATOM 1789 CD PRO A 111 -20.565 16.147 0.105 1.00 70.41 C ATOM 0 HA PRO A 111 -22.194 17.268 -2.391 1.00 73.23 H new ATOM 0 HB2 PRO A 111 -23.134 18.238 0.101 1.00 31.15 H new ATOM 0 HB3 PRO A 111 -23.406 16.602 -0.466 1.00 31.15 H new ATOM 0 HG2 PRO A 111 -21.349 17.622 1.459 1.00 54.54 H new ATOM 0 HG3 PRO A 111 -22.222 16.102 1.474 1.00 54.54 H new ATOM 0 HD2 PRO A 111 -19.637 16.213 0.674 1.00 70.41 H new ATOM 0 HD3 PRO A 111 -20.758 15.088 -0.068 1.00 70.41 H new ATOM 1797 N ASN A 112 -20.649 19.685 -0.822 1.00 1.14 N ATOM 1798 CA ASN A 112 -20.180 21.063 -0.995 1.00 54.24 C ATOM 1799 C ASN A 112 -18.688 21.153 -0.645 1.00 21.20 C ATOM 1800 O ASN A 112 -18.305 21.038 0.518 1.00 45.33 O ATOM 1801 CB ASN A 112 -20.995 22.033 -0.130 1.00 14.53 C ATOM 1802 CG ASN A 112 -20.551 23.479 -0.297 1.00 13.42 C ATOM 1803 OD1 ASN A 112 -20.055 23.877 -1.348 1.00 11.32 O ATOM 1804 ND2 ASN A 112 -20.736 24.280 0.733 1.00 62.31 N ATOM 0 H ASN A 112 -20.253 19.210 -0.011 1.00 1.14 H new ATOM 0 HA ASN A 112 -20.318 21.349 -2.038 1.00 54.24 H new ATOM 0 HB2 ASN A 112 -22.050 21.948 -0.391 1.00 14.53 H new ATOM 0 HB3 ASN A 112 -20.901 21.747 0.918 1.00 14.53 H new ATOM 0 HD21 ASN A 112 -20.465 25.261 0.671 1.00 62.31 H new ATOM 0 HD22 ASN A 112 -21.151 23.919 1.592 1.00 62.31 H new ATOM 1811 N GLN A 113 -17.849 21.327 -1.661 1.00 3.11 N ATOM 1812 CA GLN A 113 -16.399 21.353 -1.472 1.00 23.21 C ATOM 1813 C GLN A 113 -15.942 22.617 -0.719 1.00 23.13 C ATOM 1814 O GLN A 113 -16.411 23.723 -0.986 1.00 74.30 O ATOM 1815 CB GLN A 113 -15.697 21.247 -2.832 1.00 31.34 C ATOM 1816 CG GLN A 113 -14.178 21.168 -2.745 1.00 23.33 C ATOM 1817 CD GLN A 113 -13.527 20.964 -4.104 1.00 2.34 C ATOM 1818 OE1 GLN A 113 -13.220 21.920 -4.805 1.00 13.42 O ATOM 1819 NE2 GLN A 113 -13.311 19.719 -4.481 1.00 41.22 N ATOM 0 H GLN A 113 -18.148 21.453 -2.628 1.00 3.11 H new ATOM 0 HA GLN A 113 -16.122 20.497 -0.857 1.00 23.21 H new ATOM 0 HB2 GLN A 113 -16.067 20.363 -3.351 1.00 31.34 H new ATOM 0 HB3 GLN A 113 -15.971 22.111 -3.438 1.00 31.34 H new ATOM 0 HG2 GLN A 113 -13.795 22.084 -2.296 1.00 23.33 H new ATOM 0 HG3 GLN A 113 -13.897 20.348 -2.084 1.00 23.33 H new ATOM 0 HE21 GLN A 113 -13.580 18.947 -3.871 1.00 41.22 H new ATOM 0 HE22 GLN A 113 -12.875 19.528 -5.383 1.00 41.22 H new ATOM 1828 N THR A 114 -14.999 22.438 0.208 1.00 63.11 N ATOM 1829 CA THR A 114 -14.512 23.531 1.067 1.00 73.43 C ATOM 1830 C THR A 114 -13.579 24.506 0.326 1.00 43.13 C ATOM 1831 O THR A 114 -13.012 25.411 0.942 1.00 50.31 O ATOM 1832 CB THR A 114 -13.756 22.968 2.294 1.00 3.31 C ATOM 1833 OG1 THR A 114 -12.645 22.165 1.860 1.00 33.24 O ATOM 1834 CG2 THR A 114 -14.680 22.127 3.167 1.00 64.15 C ATOM 0 H THR A 114 -14.551 21.539 0.388 1.00 63.11 H new ATOM 0 HA THR A 114 -15.399 24.080 1.382 1.00 73.43 H new ATOM 0 HB THR A 114 -13.393 23.810 2.883 1.00 3.31 H new ATOM 0 HG1 THR A 114 -12.170 21.813 2.642 1.00 33.24 H new ATOM 0 HG21 THR A 114 -14.123 21.744 4.022 1.00 64.15 H new ATOM 0 HG22 THR A 114 -15.508 22.743 3.519 1.00 64.15 H new ATOM 0 HG23 THR A 114 -15.071 21.292 2.585 1.00 64.15 H new ATOM 1842 N LEU A 115 -13.437 24.324 -0.988 1.00 61.45 N ATOM 1843 CA LEU A 115 -12.574 25.173 -1.825 1.00 30.01 C ATOM 1844 C LEU A 115 -11.099 25.120 -1.382 1.00 42.34 C ATOM 1845 O LEU A 115 -10.636 25.972 -0.618 1.00 23.34 O ATOM 1846 CB LEU A 115 -13.067 26.631 -1.829 1.00 24.23 C ATOM 1847 CG LEU A 115 -14.499 26.848 -2.348 1.00 42.23 C ATOM 1848 CD1 LEU A 115 -14.881 28.326 -2.274 1.00 4.41 C ATOM 1849 CD2 LEU A 115 -14.639 26.323 -3.777 1.00 50.35 C ATOM 0 H LEU A 115 -13.915 23.586 -1.506 1.00 61.45 H new ATOM 0 HA LEU A 115 -12.634 24.774 -2.838 1.00 30.01 H new ATOM 0 HB2 LEU A 115 -13.006 27.019 -0.812 1.00 24.23 H new ATOM 0 HB3 LEU A 115 -12.385 27.224 -2.438 1.00 24.23 H new ATOM 0 HG LEU A 115 -15.183 26.288 -1.711 1.00 42.23 H new ATOM 0 HD11 LEU A 115 -15.897 28.458 -2.646 1.00 4.41 H new ATOM 0 HD12 LEU A 115 -14.826 28.665 -1.239 1.00 4.41 H new ATOM 0 HD13 LEU A 115 -14.193 28.911 -2.884 1.00 4.41 H new ATOM 0 HD21 LEU A 115 -15.659 26.486 -4.126 1.00 50.35 H new ATOM 0 HD22 LEU A 115 -13.944 26.852 -4.429 1.00 50.35 H new ATOM 0 HD23 LEU A 115 -14.415 25.257 -3.796 1.00 50.35 H new ATOM 1861 N PRO A 116 -10.346 24.100 -1.842 1.00 70.24 N ATOM 1862 CA PRO A 116 -8.900 23.987 -1.575 1.00 11.14 C ATOM 1863 C PRO A 116 -8.077 25.033 -2.356 1.00 11.05 C ATOM 1864 O PRO A 116 -7.780 24.799 -3.552 1.00 37.39 O ATOM 1865 CB PRO A 116 -8.553 22.552 -2.031 1.00 41.33 C ATOM 1866 CG PRO A 116 -9.867 21.875 -2.265 1.00 32.34 C ATOM 1867 CD PRO A 116 -10.834 22.963 -2.634 1.00 54.13 C ATOM 1868 OXT PRO A 116 -7.757 26.096 -1.779 1.00 37.39 O ATOM 0 HA PRO A 116 -8.663 24.173 -0.528 1.00 11.14 H new ATOM 0 HB2 PRO A 116 -7.951 22.564 -2.940 1.00 41.33 H new ATOM 0 HB3 PRO A 116 -7.972 22.029 -1.271 1.00 41.33 H new ATOM 0 HG2 PRO A 116 -9.788 21.136 -3.062 1.00 32.34 H new ATOM 0 HG3 PRO A 116 -10.198 21.346 -1.371 1.00 32.34 H new ATOM 0 HD2 PRO A 116 -10.818 23.176 -3.703 1.00 54.13 H new ATOM 0 HD3 PRO A 116 -11.860 22.699 -2.377 1.00 54.13 H new TER 1876 PRO A 116