USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 779 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 59 TYR OH : rot 131:sc= 0.131 USER MOD Set 1.2: A 80 SER OG : rot -111:sc= 0.837 USER MOD Set 2.1: A 58 TYR OH : rot -121:sc= 2.33 USER MOD Set 2.2: A 87 LYS NZ :NH3+ -169:sc= 1.22 (180deg=0) USER MOD Set 3.1: A 41 LYS NZ :NH3+ 155:sc= 1.95 (180deg=1.06) USER MOD Set 3.2: A 56 GLN : amide:sc= 0.308 K(o=2.3,f=-5.9!) USER MOD Set 4.1: A 36 THR OG1 : rot 180:sc= 0.387 USER MOD Set 4.2: A 39 SER OG : rot 90:sc= 0.419 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= -0.288 (180deg=-0.323) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.214 X(o=-0.21,f=-0.16) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.0716 X(o=-0.072,f=-0.0041) USER MOD Single : A 7 HIS : no HD1:sc=-0.00715 X(o=-0.0072,f=-0.016) 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= -0.034 X(o=-0.034,f=-0.053) USER MOD Single : A 15 LYS NZ :NH3+ -169:sc=-0.00359 (180deg=-0.109) USER MOD Single : A 17 HIS : no HE2:sc= -1.45! C(o=-0.52!,f=-9.3!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -6:sc= 1.02 USER MOD Single : A 25 LYS NZ :NH3+ -153:sc= 1.07 (180deg=0.917) USER MOD Single : A 26 GLN : amide:sc= -2.18 K(o=-2.2,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -25:sc= 1.19 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 169:sc= 0.147 (180deg=0.00117) USER MOD Single : A 45 HIS : no HE2:sc= 1.2 K(o=1.2,f=-4.1!) USER MOD Single : A 49 ASN : amide:sc= -1.77 K(o=-1.8,f=-0.0019) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 167:sc= -0.0405 (180deg=-0.442) USER MOD Single : A 60 SER OG : rot 109:sc= 0.268 USER MOD Single : A 68 TYR OH : rot 67:sc= 1.19 USER MOD Single : A 70 ASN : amide:sc= -0.662 K(o=-0.66,f=-2.4!) USER MOD Single : A 72 ASN : amide:sc= 0.167 X(o=0.17,f=-0.043) USER MOD Single : A 74 TYR OH : rot -147:sc= -2.26! USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.341 USER MOD Single : A 88 SER OG : rot -170:sc= -0.0322 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=-0.0067) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.935 19.313 13.893 1.00 0.00 N ATOM 2 CA MET A 1 -17.093 18.232 12.891 1.00 0.00 C ATOM 3 C MET A 1 -17.884 17.059 13.467 1.00 0.00 C ATOM 4 O MET A 1 -18.497 16.290 12.724 1.00 0.00 O ATOM 5 CB MET A 1 -15.723 17.756 12.390 1.00 0.00 C ATOM 6 CG MET A 1 -14.830 17.161 13.468 1.00 0.00 C ATOM 7 SD MET A 1 -13.175 16.779 12.860 1.00 0.00 S ATOM 8 CE MET A 1 -12.416 16.117 14.342 1.00 0.00 C ATOM 0 H1 MET A 1 -16.439 20.118 13.460 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.872 19.621 14.222 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.383 18.960 14.701 1.00 0.00 H new ATOM 0 HA MET A 1 -17.652 18.637 12.048 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.874 17.011 11.609 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.205 18.598 11.931 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.755 17.861 14.301 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.290 16.252 13.856 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.386 15.834 14.128 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.429 16.874 15.126 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.972 15.240 14.675 1.00 0.00 H new ATOM 20 N GLY A 2 -17.870 16.920 14.788 1.00 0.00 N ATOM 21 CA GLY A 2 -18.688 15.912 15.434 1.00 0.00 C ATOM 22 C GLY A 2 -17.938 14.625 15.715 1.00 0.00 C ATOM 23 O GLY A 2 -17.068 14.217 14.943 1.00 0.00 O ATOM 0 H GLY A 2 -17.307 17.487 15.422 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -19.074 16.312 16.372 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -19.549 15.693 14.803 1.00 0.00 H new ATOM 27 N HIS A 3 -18.271 13.998 16.835 1.00 0.00 N ATOM 28 CA HIS A 3 -17.713 12.704 17.208 1.00 0.00 C ATOM 29 C HIS A 3 -18.853 11.747 17.542 1.00 0.00 C ATOM 30 O HIS A 3 -19.859 12.156 18.123 1.00 0.00 O ATOM 31 CB HIS A 3 -16.759 12.848 18.400 1.00 0.00 C ATOM 32 CG HIS A 3 -15.470 13.534 18.061 1.00 0.00 C ATOM 33 ND1 HIS A 3 -15.263 14.882 18.254 1.00 0.00 N ATOM 34 CD2 HIS A 3 -14.316 13.049 17.541 1.00 0.00 C ATOM 35 CE1 HIS A 3 -14.041 15.197 17.868 1.00 0.00 C ATOM 36 NE2 HIS A 3 -13.445 14.104 17.434 1.00 0.00 N ATOM 0 H HIS A 3 -18.936 14.372 17.512 1.00 0.00 H new ATOM 0 HA HIS A 3 -17.139 12.304 16.372 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -17.261 13.407 19.190 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -16.539 11.858 18.800 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -14.119 12.024 17.263 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -13.603 16.184 17.902 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -12.491 14.051 17.077 1.00 0.00 H new ATOM 45 N HIS A 4 -18.700 10.479 17.178 1.00 0.00 N ATOM 46 CA HIS A 4 -19.812 9.533 17.241 1.00 0.00 C ATOM 47 C HIS A 4 -19.510 8.365 18.184 1.00 0.00 C ATOM 48 O HIS A 4 -20.180 7.334 18.137 1.00 0.00 O ATOM 49 CB HIS A 4 -20.119 9.022 15.825 1.00 0.00 C ATOM 50 CG HIS A 4 -21.445 8.329 15.680 1.00 0.00 C ATOM 51 ND1 HIS A 4 -22.644 9.004 15.598 1.00 0.00 N ATOM 52 CD2 HIS A 4 -21.754 7.013 15.586 1.00 0.00 C ATOM 53 CE1 HIS A 4 -23.629 8.138 15.463 1.00 0.00 C ATOM 54 NE2 HIS A 4 -23.117 6.923 15.452 1.00 0.00 N ATOM 0 H HIS A 4 -17.824 10.082 16.838 1.00 0.00 H new ATOM 0 HA HIS A 4 -20.685 10.048 17.642 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -20.088 9.865 15.135 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -19.330 8.333 15.523 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -21.057 6.188 15.612 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -24.677 8.382 15.376 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -23.648 6.057 15.359 1.00 0.00 H new ATOM 63 N HIS A 5 -18.513 8.544 19.051 1.00 0.00 N ATOM 64 CA HIS A 5 -18.124 7.526 20.042 1.00 0.00 C ATOM 65 C HIS A 5 -17.545 6.280 19.373 1.00 0.00 C ATOM 66 O HIS A 5 -16.329 6.087 19.334 1.00 0.00 O ATOM 67 CB HIS A 5 -19.311 7.102 20.924 1.00 0.00 C ATOM 68 CG HIS A 5 -19.851 8.170 21.817 1.00 0.00 C ATOM 69 ND1 HIS A 5 -19.837 8.075 23.189 1.00 0.00 N ATOM 70 CD2 HIS A 5 -20.471 9.338 21.533 1.00 0.00 C ATOM 71 CE1 HIS A 5 -20.424 9.132 23.709 1.00 0.00 C ATOM 72 NE2 HIS A 5 -20.820 9.918 22.726 1.00 0.00 N ATOM 0 H HIS A 5 -17.951 9.394 19.091 1.00 0.00 H new ATOM 0 HA HIS A 5 -17.361 7.991 20.666 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -20.115 6.749 20.278 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -19.002 6.257 21.540 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -20.657 9.740 20.548 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -20.559 9.324 24.763 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -21.305 10.809 22.835 1.00 0.00 H new ATOM 81 N HIS A 6 -18.429 5.447 18.844 1.00 0.00 N ATOM 82 CA HIS A 6 -18.042 4.173 18.259 1.00 0.00 C ATOM 83 C HIS A 6 -17.714 4.374 16.786 1.00 0.00 C ATOM 84 O HIS A 6 -18.527 4.907 16.030 1.00 0.00 O ATOM 85 CB HIS A 6 -19.186 3.170 18.424 1.00 0.00 C ATOM 86 CG HIS A 6 -18.752 1.735 18.493 1.00 0.00 C ATOM 87 ND1 HIS A 6 -19.624 0.712 18.784 1.00 0.00 N ATOM 88 CD2 HIS A 6 -17.539 1.153 18.316 1.00 0.00 C ATOM 89 CE1 HIS A 6 -18.972 -0.434 18.785 1.00 0.00 C ATOM 90 NE2 HIS A 6 -17.703 -0.197 18.504 1.00 0.00 N ATOM 0 H HIS A 6 -19.431 5.635 18.808 1.00 0.00 H new ATOM 0 HA HIS A 6 -17.159 3.783 18.765 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -19.737 3.413 19.332 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -19.878 3.287 17.590 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -16.616 1.658 18.072 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -19.403 -1.404 18.983 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -16.967 -0.900 18.438 1.00 0.00 H new ATOM 99 N HIS A 7 -16.524 3.952 16.380 1.00 0.00 N ATOM 100 CA HIS A 7 -16.044 4.232 15.035 1.00 0.00 C ATOM 101 C HIS A 7 -16.579 3.232 14.021 1.00 0.00 C ATOM 102 O HIS A 7 -16.380 2.023 14.152 1.00 0.00 O ATOM 103 CB HIS A 7 -14.512 4.252 14.991 1.00 0.00 C ATOM 104 CG HIS A 7 -13.909 5.455 15.642 1.00 0.00 C ATOM 105 ND1 HIS A 7 -13.051 6.313 14.990 1.00 0.00 N ATOM 106 CD2 HIS A 7 -14.036 5.939 16.900 1.00 0.00 C ATOM 107 CE1 HIS A 7 -12.678 7.272 15.817 1.00 0.00 C ATOM 108 NE2 HIS A 7 -13.261 7.068 16.983 1.00 0.00 N ATOM 0 H HIS A 7 -15.877 3.417 16.960 1.00 0.00 H new ATOM 0 HA HIS A 7 -16.419 5.219 14.765 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -14.131 3.356 15.480 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -14.186 4.210 13.952 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -14.636 5.515 17.691 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -12.009 8.086 15.579 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -13.153 7.654 17.811 1.00 0.00 H new ATOM 117 N HIS A 8 -17.275 3.763 13.029 1.00 0.00 N ATOM 118 CA HIS A 8 -17.737 2.995 11.881 1.00 0.00 C ATOM 119 C HIS A 8 -18.130 3.961 10.772 1.00 0.00 C ATOM 120 O HIS A 8 -18.440 5.124 11.045 1.00 0.00 O ATOM 121 CB HIS A 8 -18.916 2.075 12.243 1.00 0.00 C ATOM 122 CG HIS A 8 -20.205 2.786 12.537 1.00 0.00 C ATOM 123 ND1 HIS A 8 -21.248 2.842 11.642 1.00 0.00 N ATOM 124 CD2 HIS A 8 -20.625 3.451 13.640 1.00 0.00 C ATOM 125 CE1 HIS A 8 -22.252 3.509 12.180 1.00 0.00 C ATOM 126 NE2 HIS A 8 -21.904 3.888 13.397 1.00 0.00 N ATOM 0 H HIS A 8 -17.538 4.748 12.996 1.00 0.00 H new ATOM 0 HA HIS A 8 -16.927 2.349 11.543 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -19.081 1.379 11.420 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -18.640 1.480 13.113 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -20.058 3.609 14.545 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -23.200 3.711 11.704 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -22.487 4.416 14.046 1.00 0.00 H new ATOM 135 N SER A 9 -18.099 3.498 9.534 1.00 0.00 N ATOM 136 CA SER A 9 -18.410 4.351 8.397 1.00 0.00 C ATOM 137 C SER A 9 -19.823 4.925 8.507 1.00 0.00 C ATOM 138 O SER A 9 -20.807 4.184 8.573 1.00 0.00 O ATOM 139 CB SER A 9 -18.259 3.561 7.097 1.00 0.00 C ATOM 140 OG SER A 9 -16.967 2.989 7.000 1.00 0.00 O ATOM 0 H SER A 9 -17.862 2.537 9.289 1.00 0.00 H new ATOM 0 HA SER A 9 -17.709 5.185 8.394 1.00 0.00 H new ATOM 0 HB2 SER A 9 -19.013 2.775 7.055 1.00 0.00 H new ATOM 0 HB3 SER A 9 -18.435 4.218 6.245 1.00 0.00 H new ATOM 0 HG SER A 9 -16.894 2.487 6.162 1.00 0.00 H new ATOM 146 N HIS A 10 -19.916 6.253 8.547 1.00 0.00 N ATOM 147 CA HIS A 10 -21.214 6.921 8.573 1.00 0.00 C ATOM 148 C HIS A 10 -21.712 7.152 7.152 1.00 0.00 C ATOM 149 O HIS A 10 -22.750 7.774 6.928 1.00 0.00 O ATOM 150 CB HIS A 10 -21.162 8.246 9.358 1.00 0.00 C ATOM 151 CG HIS A 10 -20.169 9.257 8.860 1.00 0.00 C ATOM 152 ND1 HIS A 10 -20.452 10.177 7.874 1.00 0.00 N ATOM 153 CD2 HIS A 10 -18.899 9.515 9.255 1.00 0.00 C ATOM 154 CE1 HIS A 10 -19.403 10.955 7.687 1.00 0.00 C ATOM 155 NE2 HIS A 10 -18.445 10.578 8.513 1.00 0.00 N ATOM 0 H HIS A 10 -19.114 6.883 8.562 1.00 0.00 H new ATOM 0 HA HIS A 10 -21.916 6.269 9.093 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -22.154 8.698 9.339 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -20.934 8.022 10.400 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -18.345 8.983 10.014 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -19.339 11.766 6.976 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -17.522 11.005 8.588 1.00 0.00 H new ATOM 164 N ALA A 11 -20.953 6.636 6.203 1.00 0.00 N ATOM 165 CA ALA A 11 -21.314 6.681 4.800 1.00 0.00 C ATOM 166 C ALA A 11 -21.063 5.315 4.184 1.00 0.00 C ATOM 167 O ALA A 11 -20.594 4.406 4.871 1.00 0.00 O ATOM 168 CB ALA A 11 -20.512 7.757 4.082 1.00 0.00 C ATOM 0 H ALA A 11 -20.064 6.171 6.386 1.00 0.00 H new ATOM 0 HA ALA A 11 -22.370 6.931 4.698 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -20.794 7.779 3.029 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -20.719 8.727 4.534 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -19.448 7.536 4.168 1.00 0.00 H new ATOM 174 N ALA A 12 -21.370 5.167 2.904 1.00 0.00 N ATOM 175 CA ALA A 12 -21.136 3.912 2.211 1.00 0.00 C ATOM 176 C ALA A 12 -19.648 3.597 2.181 1.00 0.00 C ATOM 177 O ALA A 12 -18.825 4.485 1.950 1.00 0.00 O ATOM 178 CB ALA A 12 -21.694 3.967 0.796 1.00 0.00 C ATOM 0 H ALA A 12 -21.781 5.900 2.326 1.00 0.00 H new ATOM 0 HA ALA A 12 -21.652 3.118 2.752 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -21.508 3.017 0.294 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -22.767 4.153 0.835 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -21.207 4.770 0.244 1.00 0.00 H new ATOM 184 N VAL A 13 -19.304 2.342 2.434 1.00 0.00 N ATOM 185 CA VAL A 13 -17.908 1.928 2.440 1.00 0.00 C ATOM 186 C VAL A 13 -17.294 2.140 1.058 1.00 0.00 C ATOM 187 O VAL A 13 -17.813 1.666 0.041 1.00 0.00 O ATOM 188 CB VAL A 13 -17.735 0.459 2.910 1.00 0.00 C ATOM 189 CG1 VAL A 13 -18.460 -0.517 1.997 1.00 0.00 C ATOM 190 CG2 VAL A 13 -16.262 0.098 3.021 1.00 0.00 C ATOM 0 H VAL A 13 -19.969 1.596 2.637 1.00 0.00 H new ATOM 0 HA VAL A 13 -17.378 2.551 3.161 1.00 0.00 H new ATOM 0 HB VAL A 13 -18.188 0.379 3.898 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -18.313 -1.534 2.362 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -19.525 -0.285 1.988 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -18.062 -0.433 0.986 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.165 -0.936 3.352 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.785 0.214 2.048 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -15.779 0.757 3.743 1.00 0.00 H new ATOM 200 N ARG A 14 -16.206 2.887 1.019 1.00 0.00 N ATOM 201 CA ARG A 14 -15.622 3.297 -0.239 1.00 0.00 C ATOM 202 C ARG A 14 -14.189 2.828 -0.371 1.00 0.00 C ATOM 203 O ARG A 14 -13.424 2.827 0.597 1.00 0.00 O ATOM 204 CB ARG A 14 -15.704 4.810 -0.397 1.00 0.00 C ATOM 205 CG ARG A 14 -17.093 5.260 -0.791 1.00 0.00 C ATOM 206 CD ARG A 14 -17.447 4.762 -2.181 1.00 0.00 C ATOM 207 NE ARG A 14 -18.852 4.989 -2.507 1.00 0.00 N ATOM 208 CZ ARG A 14 -19.731 4.012 -2.712 1.00 0.00 C ATOM 209 NH1 ARG A 14 -19.374 2.747 -2.511 1.00 0.00 N ATOM 210 NH2 ARG A 14 -20.972 4.304 -3.075 1.00 0.00 N ATOM 0 H ARG A 14 -15.711 3.221 1.846 1.00 0.00 H new ATOM 0 HA ARG A 14 -16.197 2.827 -1.037 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -15.419 5.289 0.540 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -14.989 5.136 -1.152 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -17.820 4.886 -0.070 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -17.149 6.348 -0.764 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -16.819 5.265 -2.916 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -17.227 3.697 -2.250 1.00 0.00 H new ATOM 0 HE ARG A 14 -19.178 5.952 -2.582 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -18.428 2.527 -2.200 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -20.047 1.996 -2.668 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -21.252 5.277 -3.197 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -21.647 3.556 -3.232 1.00 0.00 H new ATOM 224 N LYS A 15 -13.844 2.418 -1.576 1.00 0.00 N ATOM 225 CA LYS A 15 -12.494 1.998 -1.884 1.00 0.00 C ATOM 226 C LYS A 15 -11.715 3.182 -2.430 1.00 0.00 C ATOM 227 O LYS A 15 -12.227 3.951 -3.246 1.00 0.00 O ATOM 228 CB LYS A 15 -12.487 0.848 -2.900 1.00 0.00 C ATOM 229 CG LYS A 15 -12.980 -0.490 -2.353 1.00 0.00 C ATOM 230 CD LYS A 15 -14.447 -0.444 -1.949 1.00 0.00 C ATOM 231 CE LYS A 15 -14.937 -1.786 -1.435 1.00 0.00 C ATOM 232 NZ LYS A 15 -14.950 -2.817 -2.505 1.00 0.00 N ATOM 0 H LYS A 15 -14.489 2.367 -2.364 1.00 0.00 H new ATOM 0 HA LYS A 15 -12.024 1.636 -0.970 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.109 1.129 -3.750 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.472 0.720 -3.276 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -12.837 -1.263 -3.108 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.377 -0.772 -1.490 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.587 0.313 -1.177 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.050 -0.142 -2.805 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.296 -2.118 -0.618 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -15.941 -1.674 -1.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.460 -3.659 -2.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.426 -2.437 -3.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.973 -3.078 -2.748 1.00 0.00 H new ATOM 246 N ILE A 16 -10.488 3.324 -1.980 1.00 0.00 N ATOM 247 CA ILE A 16 -9.663 4.456 -2.350 1.00 0.00 C ATOM 248 C ILE A 16 -8.697 4.072 -3.461 1.00 0.00 C ATOM 249 O ILE A 16 -8.284 2.916 -3.575 1.00 0.00 O ATOM 250 CB ILE A 16 -8.873 5.002 -1.140 1.00 0.00 C ATOM 251 CG1 ILE A 16 -8.040 3.889 -0.496 1.00 0.00 C ATOM 252 CG2 ILE A 16 -9.827 5.620 -0.127 1.00 0.00 C ATOM 253 CD1 ILE A 16 -7.211 4.350 0.684 1.00 0.00 C ATOM 0 H ILE A 16 -10.034 2.662 -1.350 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.329 5.242 -2.706 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.190 5.777 -1.488 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.707 3.091 -0.170 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -7.377 3.462 -1.249 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -9.259 6.002 0.722 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.374 6.438 -0.595 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -10.531 4.863 0.218 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -6.650 3.507 1.086 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -6.518 5.126 0.360 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.868 4.750 1.456 1.00 0.00 H new ATOM 265 N HIS A 17 -8.361 5.038 -4.293 1.00 0.00 N ATOM 266 CA HIS A 17 -7.434 4.806 -5.384 1.00 0.00 C ATOM 267 C HIS A 17 -6.036 5.234 -4.973 1.00 0.00 C ATOM 268 O HIS A 17 -5.703 6.417 -5.016 1.00 0.00 O ATOM 269 CB HIS A 17 -7.882 5.555 -6.643 1.00 0.00 C ATOM 270 CG HIS A 17 -9.156 5.029 -7.223 1.00 0.00 C ATOM 271 ND1 HIS A 17 -10.378 5.636 -7.040 1.00 0.00 N ATOM 272 CD2 HIS A 17 -9.394 3.930 -7.974 1.00 0.00 C ATOM 273 CE1 HIS A 17 -11.312 4.932 -7.650 1.00 0.00 C ATOM 274 NE2 HIS A 17 -10.740 3.890 -8.226 1.00 0.00 N ATOM 0 H HIS A 17 -8.716 5.992 -4.235 1.00 0.00 H new ATOM 0 HA HIS A 17 -7.421 3.741 -5.614 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.009 6.611 -6.403 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -7.095 5.491 -7.395 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -10.536 6.496 -6.515 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -8.658 3.215 -8.313 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -12.366 5.168 -7.674 1.00 0.00 H new ATOM 283 N VAL A 18 -5.235 4.274 -4.540 1.00 0.00 N ATOM 284 CA VAL A 18 -3.888 4.557 -4.071 1.00 0.00 C ATOM 285 C VAL A 18 -2.906 4.567 -5.230 1.00 0.00 C ATOM 286 O VAL A 18 -3.042 3.795 -6.179 1.00 0.00 O ATOM 287 CB VAL A 18 -3.415 3.526 -3.026 1.00 0.00 C ATOM 288 CG1 VAL A 18 -4.290 3.581 -1.782 1.00 0.00 C ATOM 289 CG2 VAL A 18 -3.401 2.125 -3.621 1.00 0.00 C ATOM 0 H VAL A 18 -5.495 3.288 -4.504 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.919 5.541 -3.603 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.396 3.778 -2.733 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.939 2.846 -1.058 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.236 4.577 -1.343 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.322 3.359 -2.053 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.064 1.413 -2.867 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.406 1.859 -3.949 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.723 2.099 -4.474 1.00 0.00 H new ATOM 299 N THR A 19 -1.925 5.441 -5.155 1.00 0.00 N ATOM 300 CA THR A 19 -0.925 5.533 -6.194 1.00 0.00 C ATOM 301 C THR A 19 0.332 4.781 -5.773 1.00 0.00 C ATOM 302 O THR A 19 1.048 5.218 -4.880 1.00 0.00 O ATOM 303 CB THR A 19 -0.586 7.006 -6.474 1.00 0.00 C ATOM 304 OG1 THR A 19 -1.797 7.745 -6.692 1.00 0.00 O ATOM 305 CG2 THR A 19 0.320 7.141 -7.686 1.00 0.00 C ATOM 0 H THR A 19 -1.800 6.098 -4.385 1.00 0.00 H new ATOM 0 HA THR A 19 -1.321 5.084 -7.105 1.00 0.00 H new ATOM 0 HB THR A 19 -0.058 7.406 -5.608 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.580 8.684 -6.869 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.542 8.194 -7.859 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.249 6.599 -7.508 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.180 6.727 -8.562 1.00 0.00 H new ATOM 313 N VAL A 20 0.593 3.656 -6.415 1.00 0.00 N ATOM 314 CA VAL A 20 1.720 2.815 -6.048 1.00 0.00 C ATOM 315 C VAL A 20 2.927 3.117 -6.931 1.00 0.00 C ATOM 316 O VAL A 20 2.845 3.044 -8.160 1.00 0.00 O ATOM 317 CB VAL A 20 1.363 1.320 -6.159 1.00 0.00 C ATOM 318 CG1 VAL A 20 2.536 0.451 -5.734 1.00 0.00 C ATOM 319 CG2 VAL A 20 0.132 0.999 -5.324 1.00 0.00 C ATOM 0 H VAL A 20 0.039 3.303 -7.195 1.00 0.00 H new ATOM 0 HA VAL A 20 1.968 3.037 -5.010 1.00 0.00 H new ATOM 0 HB VAL A 20 1.138 1.102 -7.203 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.260 -0.600 -5.821 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.392 0.656 -6.377 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.797 0.673 -4.699 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.104 -0.061 -5.416 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.329 1.238 -4.279 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.712 1.590 -5.678 1.00 0.00 H new ATOM 329 N LYS A 21 4.039 3.470 -6.302 1.00 0.00 N ATOM 330 CA LYS A 21 5.256 3.789 -7.024 1.00 0.00 C ATOM 331 C LYS A 21 6.344 2.753 -6.782 1.00 0.00 C ATOM 332 O LYS A 21 6.832 2.599 -5.663 1.00 0.00 O ATOM 333 CB LYS A 21 5.779 5.166 -6.623 1.00 0.00 C ATOM 334 CG LYS A 21 4.897 6.313 -7.084 1.00 0.00 C ATOM 335 CD LYS A 21 5.612 7.649 -6.976 1.00 0.00 C ATOM 336 CE LYS A 21 6.803 7.721 -7.921 1.00 0.00 C ATOM 337 NZ LYS A 21 7.434 9.063 -7.918 1.00 0.00 N ATOM 0 H LYS A 21 4.120 3.542 -5.288 1.00 0.00 H new ATOM 0 HA LYS A 21 5.004 3.788 -8.084 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.875 5.207 -5.538 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.779 5.299 -7.036 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.592 6.146 -8.117 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.988 6.337 -6.483 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.915 8.455 -7.205 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.950 7.801 -5.951 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.541 6.973 -7.632 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.479 7.475 -8.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.241 9.069 -8.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.738 9.775 -8.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.767 9.288 -6.959 1.00 0.00 H new ATOM 351 N PHE A 22 6.719 2.056 -7.838 1.00 0.00 N ATOM 352 CA PHE A 22 7.851 1.144 -7.798 1.00 0.00 C ATOM 353 C PHE A 22 9.083 1.854 -8.344 1.00 0.00 C ATOM 354 O PHE A 22 8.955 2.893 -8.994 1.00 0.00 O ATOM 355 CB PHE A 22 7.552 -0.118 -8.614 1.00 0.00 C ATOM 356 CG PHE A 22 6.885 -1.202 -7.816 1.00 0.00 C ATOM 357 CD1 PHE A 22 5.512 -1.211 -7.634 1.00 0.00 C ATOM 358 CD2 PHE A 22 7.638 -2.216 -7.246 1.00 0.00 C ATOM 359 CE1 PHE A 22 4.905 -2.209 -6.899 1.00 0.00 C ATOM 360 CE2 PHE A 22 7.036 -3.216 -6.510 1.00 0.00 C ATOM 361 CZ PHE A 22 5.667 -3.214 -6.337 1.00 0.00 C ATOM 0 H PHE A 22 6.252 2.104 -8.744 1.00 0.00 H new ATOM 0 HA PHE A 22 8.036 0.841 -6.767 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.914 0.147 -9.457 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.484 -0.503 -9.028 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.910 -0.429 -8.072 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.710 -2.224 -7.379 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.834 -2.204 -6.763 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.635 -3.999 -6.070 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.193 -3.997 -5.763 1.00 0.00 H new ATOM 371 N PRO A 23 10.289 1.318 -8.095 1.00 0.00 N ATOM 372 CA PRO A 23 11.550 1.920 -8.571 1.00 0.00 C ATOM 373 C PRO A 23 11.728 1.842 -10.094 1.00 0.00 C ATOM 374 O PRO A 23 12.850 1.721 -10.590 1.00 0.00 O ATOM 375 CB PRO A 23 12.625 1.085 -7.866 1.00 0.00 C ATOM 376 CG PRO A 23 11.970 -0.220 -7.576 1.00 0.00 C ATOM 377 CD PRO A 23 10.529 0.095 -7.304 1.00 0.00 C ATOM 0 HA PRO A 23 11.589 2.986 -8.348 1.00 0.00 H new ATOM 0 HB2 PRO A 23 13.502 0.954 -8.500 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.963 1.569 -6.950 1.00 0.00 H new ATOM 0 HG2 PRO A 23 12.068 -0.902 -8.420 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.432 -0.707 -6.717 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.874 -0.719 -7.615 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.348 0.262 -6.242 1.00 0.00 H new ATOM 385 N SER A 24 10.622 1.939 -10.828 1.00 0.00 N ATOM 386 CA SER A 24 10.642 1.892 -12.288 1.00 0.00 C ATOM 387 C SER A 24 9.346 2.448 -12.886 1.00 0.00 C ATOM 388 O SER A 24 9.359 3.006 -13.982 1.00 0.00 O ATOM 389 CB SER A 24 10.844 0.458 -12.791 1.00 0.00 C ATOM 390 OG SER A 24 12.120 -0.048 -12.437 1.00 0.00 O ATOM 0 H SER A 24 9.690 2.052 -10.429 1.00 0.00 H new ATOM 0 HA SER A 24 11.478 2.512 -12.611 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.069 -0.186 -12.375 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.731 0.433 -13.875 1.00 0.00 H new ATOM 0 HG SER A 24 12.651 0.664 -12.022 1.00 0.00 H new ATOM 396 N LYS A 25 8.227 2.291 -12.178 1.00 0.00 N ATOM 397 CA LYS A 25 6.929 2.680 -12.724 1.00 0.00 C ATOM 398 C LYS A 25 5.965 3.134 -11.633 1.00 0.00 C ATOM 399 O LYS A 25 6.235 2.982 -10.441 1.00 0.00 O ATOM 400 CB LYS A 25 6.307 1.506 -13.481 1.00 0.00 C ATOM 401 CG LYS A 25 6.074 0.289 -12.606 1.00 0.00 C ATOM 402 CD LYS A 25 5.450 -0.857 -13.379 1.00 0.00 C ATOM 403 CE LYS A 25 5.300 -2.089 -12.505 1.00 0.00 C ATOM 404 NZ LYS A 25 4.593 -3.187 -13.209 1.00 0.00 N ATOM 0 H LYS A 25 8.194 1.902 -11.236 1.00 0.00 H new ATOM 0 HA LYS A 25 7.100 3.518 -13.400 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.358 1.822 -13.913 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.958 1.230 -14.310 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.022 -0.036 -12.178 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.425 0.560 -11.773 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.474 -0.555 -13.758 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.068 -1.095 -14.245 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.286 -2.434 -12.193 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.752 -1.827 -11.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.113 -3.793 -12.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.890 -2.785 -13.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.280 -3.754 -13.746 1.00 0.00 H new ATOM 418 N GLN A 26 4.824 3.654 -12.069 1.00 0.00 N ATOM 419 CA GLN A 26 3.771 4.113 -11.174 1.00 0.00 C ATOM 420 C GLN A 26 2.406 3.660 -11.691 1.00 0.00 C ATOM 421 O GLN A 26 2.094 3.830 -12.873 1.00 0.00 O ATOM 422 CB GLN A 26 3.802 5.639 -11.056 1.00 0.00 C ATOM 423 CG GLN A 26 2.625 6.215 -10.289 1.00 0.00 C ATOM 424 CD GLN A 26 2.635 7.730 -10.250 1.00 0.00 C ATOM 425 OE1 GLN A 26 2.094 8.392 -11.134 1.00 0.00 O ATOM 426 NE2 GLN A 26 3.237 8.287 -9.216 1.00 0.00 N ATOM 0 H GLN A 26 4.603 3.769 -13.058 1.00 0.00 H new ATOM 0 HA GLN A 26 3.940 3.679 -10.188 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.727 5.938 -10.563 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.820 6.072 -12.056 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.697 5.874 -10.747 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.638 5.830 -9.269 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.674 7.702 -8.504 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.265 9.303 -9.129 1.00 0.00 H new ATOM 435 N PHE A 27 1.598 3.086 -10.810 1.00 0.00 N ATOM 436 CA PHE A 27 0.264 2.632 -11.180 1.00 0.00 C ATOM 437 C PHE A 27 -0.695 2.775 -10.001 1.00 0.00 C ATOM 438 O PHE A 27 -0.266 2.883 -8.854 1.00 0.00 O ATOM 439 CB PHE A 27 0.296 1.179 -11.674 1.00 0.00 C ATOM 440 CG PHE A 27 0.840 0.195 -10.678 1.00 0.00 C ATOM 441 CD1 PHE A 27 2.194 -0.093 -10.640 1.00 0.00 C ATOM 442 CD2 PHE A 27 -0.004 -0.447 -9.786 1.00 0.00 C ATOM 443 CE1 PHE A 27 2.695 -1.004 -9.733 1.00 0.00 C ATOM 444 CE2 PHE A 27 0.491 -1.357 -8.876 1.00 0.00 C ATOM 445 CZ PHE A 27 1.842 -1.637 -8.849 1.00 0.00 C ATOM 0 H PHE A 27 1.843 2.924 -9.833 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.093 3.259 -11.997 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.716 0.879 -11.947 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.899 1.130 -12.581 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.865 0.401 -11.328 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.062 -0.232 -9.804 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.753 -1.222 -9.714 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.177 -1.850 -8.186 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.232 -2.350 -8.138 1.00 0.00 H new ATOM 455 N THR A 28 -1.985 2.784 -10.288 1.00 0.00 N ATOM 456 CA THR A 28 -3.001 2.966 -9.259 1.00 0.00 C ATOM 457 C THR A 28 -3.677 1.636 -8.925 1.00 0.00 C ATOM 458 O THR A 28 -3.914 0.811 -9.812 1.00 0.00 O ATOM 459 CB THR A 28 -4.071 3.967 -9.726 1.00 0.00 C ATOM 460 OG1 THR A 28 -3.459 4.998 -10.517 1.00 0.00 O ATOM 461 CG2 THR A 28 -4.790 4.602 -8.546 1.00 0.00 C ATOM 0 H THR A 28 -2.358 2.667 -11.230 1.00 0.00 H new ATOM 0 HA THR A 28 -2.505 3.353 -8.369 1.00 0.00 H new ATOM 0 HB THR A 28 -4.802 3.421 -10.322 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.144 5.633 -10.814 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.539 5.304 -8.912 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.277 3.826 -7.956 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.069 5.132 -7.923 1.00 0.00 H new ATOM 469 N VAL A 29 -3.977 1.425 -7.652 1.00 0.00 N ATOM 470 CA VAL A 29 -4.650 0.206 -7.213 1.00 0.00 C ATOM 471 C VAL A 29 -5.886 0.558 -6.392 1.00 0.00 C ATOM 472 O VAL A 29 -5.881 1.534 -5.641 1.00 0.00 O ATOM 473 CB VAL A 29 -3.712 -0.686 -6.363 1.00 0.00 C ATOM 474 CG1 VAL A 29 -4.385 -2.001 -5.989 1.00 0.00 C ATOM 475 CG2 VAL A 29 -2.408 -0.950 -7.095 1.00 0.00 C ATOM 0 H VAL A 29 -3.765 2.082 -6.901 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.940 -0.349 -8.105 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.491 -0.146 -5.442 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.700 -2.604 -5.393 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.286 -1.797 -5.411 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.651 -2.544 -6.896 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.765 -1.579 -6.478 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.616 -1.457 -8.037 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.905 -0.004 -7.296 1.00 0.00 H new ATOM 485 N GLU A 30 -6.952 -0.213 -6.552 1.00 0.00 N ATOM 486 CA GLU A 30 -8.148 -0.006 -5.752 1.00 0.00 C ATOM 487 C GLU A 30 -8.115 -0.865 -4.512 1.00 0.00 C ATOM 488 O GLU A 30 -8.180 -2.094 -4.583 1.00 0.00 O ATOM 489 CB GLU A 30 -9.412 -0.311 -6.536 1.00 0.00 C ATOM 490 CG GLU A 30 -9.587 0.582 -7.741 1.00 0.00 C ATOM 491 CD GLU A 30 -10.884 0.332 -8.478 1.00 0.00 C ATOM 492 OE1 GLU A 30 -11.121 -0.815 -8.912 1.00 0.00 O ATOM 493 OE2 GLU A 30 -11.674 1.285 -8.634 1.00 0.00 O ATOM 0 H GLU A 30 -7.013 -0.980 -7.222 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.162 1.047 -5.470 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.389 -1.351 -6.861 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.276 -0.201 -5.880 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.551 1.624 -7.423 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.752 0.429 -8.424 1.00 0.00 H new ATOM 500 N VAL A 31 -8.010 -0.209 -3.385 1.00 0.00 N ATOM 501 CA VAL A 31 -8.047 -0.882 -2.106 1.00 0.00 C ATOM 502 C VAL A 31 -9.068 -0.197 -1.218 1.00 0.00 C ATOM 503 O VAL A 31 -9.410 0.961 -1.443 1.00 0.00 O ATOM 504 CB VAL A 31 -6.669 -0.891 -1.411 1.00 0.00 C ATOM 505 CG1 VAL A 31 -5.619 -1.533 -2.306 1.00 0.00 C ATOM 506 CG2 VAL A 31 -6.251 0.518 -1.017 1.00 0.00 C ATOM 0 H VAL A 31 -7.897 0.803 -3.325 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.327 -1.921 -2.278 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.753 -1.486 -0.502 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.655 -1.529 -1.797 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.908 -2.560 -2.527 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.540 -0.970 -3.236 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.277 0.485 -0.529 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.190 1.142 -1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.987 0.937 -0.331 1.00 0.00 H new ATOM 516 N ASP A 32 -9.573 -0.908 -0.237 1.00 0.00 N ATOM 517 CA ASP A 32 -10.562 -0.339 0.672 1.00 0.00 C ATOM 518 C ASP A 32 -9.905 0.687 1.598 1.00 0.00 C ATOM 519 O ASP A 32 -8.694 0.660 1.805 1.00 0.00 O ATOM 520 CB ASP A 32 -11.221 -1.448 1.494 1.00 0.00 C ATOM 521 CG ASP A 32 -12.506 -0.996 2.152 1.00 0.00 C ATOM 522 OD1 ASP A 32 -12.438 -0.356 3.226 1.00 0.00 O ATOM 523 OD2 ASP A 32 -13.584 -1.276 1.594 1.00 0.00 O ATOM 0 H ASP A 32 -9.322 -1.877 -0.042 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.329 0.165 0.083 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.428 -2.301 0.847 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.525 -1.790 2.260 1.00 0.00 H new ATOM 528 N ARG A 33 -10.692 1.597 2.151 1.00 0.00 N ATOM 529 CA ARG A 33 -10.161 2.582 3.084 1.00 0.00 C ATOM 530 C ARG A 33 -9.868 1.928 4.436 1.00 0.00 C ATOM 531 O ARG A 33 -9.051 2.416 5.223 1.00 0.00 O ATOM 532 CB ARG A 33 -11.128 3.765 3.228 1.00 0.00 C ATOM 533 CG ARG A 33 -10.779 4.702 4.374 1.00 0.00 C ATOM 534 CD ARG A 33 -11.209 6.131 4.096 1.00 0.00 C ATOM 535 NE ARG A 33 -12.608 6.234 3.687 1.00 0.00 N ATOM 536 CZ ARG A 33 -13.187 7.378 3.317 1.00 0.00 C ATOM 537 NH1 ARG A 33 -12.496 8.515 3.339 1.00 0.00 N ATOM 538 NH2 ARG A 33 -14.461 7.386 2.931 1.00 0.00 N ATOM 0 H ARG A 33 -11.693 1.675 1.973 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.222 2.971 2.690 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -11.137 4.331 2.297 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.137 3.382 3.378 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.259 4.351 5.287 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.703 4.675 4.549 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.052 6.733 4.991 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.575 6.550 3.315 1.00 0.00 H new ATOM 0 HE ARG A 33 -13.173 5.385 3.684 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.521 8.514 3.639 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.941 9.388 3.056 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -14.995 6.517 2.918 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.903 8.261 2.648 1.00 0.00 H new ATOM 552 N THR A 34 -10.519 0.803 4.686 1.00 0.00 N ATOM 553 CA THR A 34 -10.281 0.042 5.898 1.00 0.00 C ATOM 554 C THR A 34 -9.358 -1.137 5.605 1.00 0.00 C ATOM 555 O THR A 34 -9.232 -2.062 6.407 1.00 0.00 O ATOM 556 CB THR A 34 -11.604 -0.448 6.527 1.00 0.00 C ATOM 557 OG1 THR A 34 -12.294 -1.342 5.637 1.00 0.00 O ATOM 558 CG2 THR A 34 -12.502 0.736 6.857 1.00 0.00 C ATOM 0 H THR A 34 -11.217 0.398 4.063 1.00 0.00 H new ATOM 0 HA THR A 34 -9.797 0.700 6.620 1.00 0.00 H new ATOM 0 HB THR A 34 -11.362 -0.984 7.445 1.00 0.00 H new ATOM 0 HG1 THR A 34 -12.030 -1.152 4.713 1.00 0.00 H new ATOM 0 HG21 THR A 34 -13.431 0.376 7.300 1.00 0.00 H new ATOM 0 HG22 THR A 34 -11.994 1.392 7.564 1.00 0.00 H new ATOM 0 HG23 THR A 34 -12.725 1.289 5.944 1.00 0.00 H new ATOM 566 N GLU A 35 -8.722 -1.086 4.437 1.00 0.00 N ATOM 567 CA GLU A 35 -7.755 -2.097 4.022 1.00 0.00 C ATOM 568 C GLU A 35 -6.603 -2.162 5.019 1.00 0.00 C ATOM 569 O GLU A 35 -6.130 -1.125 5.493 1.00 0.00 O ATOM 570 CB GLU A 35 -7.202 -1.740 2.639 1.00 0.00 C ATOM 571 CG GLU A 35 -6.472 -2.872 1.940 1.00 0.00 C ATOM 572 CD GLU A 35 -7.422 -3.890 1.351 1.00 0.00 C ATOM 573 OE1 GLU A 35 -8.230 -3.517 0.475 1.00 0.00 O ATOM 574 OE2 GLU A 35 -7.349 -5.075 1.734 1.00 0.00 O ATOM 0 H GLU A 35 -8.863 -0.343 3.753 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.253 -3.066 3.983 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.026 -1.411 2.006 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.522 -0.895 2.741 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.845 -2.463 1.148 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.808 -3.366 2.649 1.00 0.00 H new ATOM 581 N THR A 36 -6.160 -3.367 5.341 1.00 0.00 N ATOM 582 CA THR A 36 -5.004 -3.530 6.204 1.00 0.00 C ATOM 583 C THR A 36 -3.729 -3.384 5.386 1.00 0.00 C ATOM 584 O THR A 36 -3.711 -3.688 4.190 1.00 0.00 O ATOM 585 CB THR A 36 -4.998 -4.901 6.920 1.00 0.00 C ATOM 586 OG1 THR A 36 -5.095 -5.965 5.966 1.00 0.00 O ATOM 587 CG2 THR A 36 -6.137 -5.013 7.918 1.00 0.00 C ATOM 0 H THR A 36 -6.580 -4.239 5.020 1.00 0.00 H new ATOM 0 HA THR A 36 -5.056 -2.755 6.969 1.00 0.00 H new ATOM 0 HB THR A 36 -4.055 -4.981 7.461 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.088 -6.826 6.434 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.102 -5.989 8.402 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.039 -4.231 8.671 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.088 -4.900 7.398 1.00 0.00 H new ATOM 595 N VAL A 37 -2.667 -2.911 6.025 1.00 0.00 N ATOM 596 CA VAL A 37 -1.379 -2.757 5.359 1.00 0.00 C ATOM 597 C VAL A 37 -0.901 -4.096 4.792 1.00 0.00 C ATOM 598 O VAL A 37 -0.294 -4.154 3.718 1.00 0.00 O ATOM 599 CB VAL A 37 -0.320 -2.188 6.323 1.00 0.00 C ATOM 600 CG1 VAL A 37 1.036 -2.080 5.644 1.00 0.00 C ATOM 601 CG2 VAL A 37 -0.759 -0.830 6.842 1.00 0.00 C ATOM 0 H VAL A 37 -2.672 -2.627 7.005 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.513 -2.052 4.538 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.223 -2.874 7.164 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.764 -1.676 6.347 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.358 -3.068 5.316 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.959 -1.419 4.781 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.002 -0.438 7.522 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.884 -0.144 6.005 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.706 -0.932 7.372 1.00 0.00 H new ATOM 611 N SER A 38 -1.213 -5.172 5.502 1.00 0.00 N ATOM 612 CA SER A 38 -0.844 -6.511 5.075 1.00 0.00 C ATOM 613 C SER A 38 -1.524 -6.869 3.752 1.00 0.00 C ATOM 614 O SER A 38 -0.894 -7.436 2.857 1.00 0.00 O ATOM 615 CB SER A 38 -1.223 -7.529 6.154 1.00 0.00 C ATOM 616 OG SER A 38 -0.756 -8.827 5.824 1.00 0.00 O ATOM 0 H SER A 38 -1.725 -5.140 6.383 1.00 0.00 H new ATOM 0 HA SER A 38 0.235 -6.537 4.922 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.802 -7.221 7.111 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.306 -7.549 6.274 1.00 0.00 H new ATOM 0 HG SER A 38 -1.011 -9.456 6.531 1.00 0.00 H new ATOM 622 N SER A 39 -2.802 -6.525 3.616 1.00 0.00 N ATOM 623 CA SER A 39 -3.544 -6.861 2.415 1.00 0.00 C ATOM 624 C SER A 39 -3.208 -5.877 1.307 1.00 0.00 C ATOM 625 O SER A 39 -3.385 -6.170 0.126 1.00 0.00 O ATOM 626 CB SER A 39 -5.045 -6.871 2.696 1.00 0.00 C ATOM 627 OG SER A 39 -5.374 -7.845 3.679 1.00 0.00 O ATOM 0 H SER A 39 -3.338 -6.017 4.320 1.00 0.00 H new ATOM 0 HA SER A 39 -3.257 -7.861 2.091 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.361 -5.885 3.036 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.589 -7.080 1.775 1.00 0.00 H new ATOM 0 HG SER A 39 -5.329 -7.439 4.570 1.00 0.00 H new ATOM 633 N LEU A 40 -2.716 -4.709 1.697 1.00 0.00 N ATOM 634 CA LEU A 40 -2.238 -3.730 0.738 1.00 0.00 C ATOM 635 C LEU A 40 -1.061 -4.312 -0.035 1.00 0.00 C ATOM 636 O LEU A 40 -1.057 -4.329 -1.264 1.00 0.00 O ATOM 637 CB LEU A 40 -1.815 -2.443 1.445 1.00 0.00 C ATOM 638 CG LEU A 40 -1.626 -1.247 0.517 1.00 0.00 C ATOM 639 CD1 LEU A 40 -2.945 -0.909 -0.145 1.00 0.00 C ATOM 640 CD2 LEU A 40 -1.084 -0.045 1.276 1.00 0.00 C ATOM 0 H LEU A 40 -2.639 -4.419 2.672 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.046 -3.490 0.047 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.565 -2.191 2.194 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.882 -2.625 1.978 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.896 -1.509 -0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.811 -0.054 -0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.292 -1.766 -0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.683 -0.663 0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.959 0.793 0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.783 0.233 2.064 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.121 -0.298 1.718 1.00 0.00 H new ATOM 652 N LYS A 41 -0.080 -4.818 0.707 1.00 0.00 N ATOM 653 CA LYS A 41 1.082 -5.467 0.111 1.00 0.00 C ATOM 654 C LYS A 41 0.658 -6.717 -0.649 1.00 0.00 C ATOM 655 O LYS A 41 1.229 -7.054 -1.686 1.00 0.00 O ATOM 656 CB LYS A 41 2.098 -5.837 1.194 1.00 0.00 C ATOM 657 CG LYS A 41 2.666 -4.639 1.935 1.00 0.00 C ATOM 658 CD LYS A 41 3.522 -5.063 3.116 1.00 0.00 C ATOM 659 CE LYS A 41 4.100 -3.862 3.844 1.00 0.00 C ATOM 660 NZ LYS A 41 4.850 -4.261 5.062 1.00 0.00 N ATOM 0 H LYS A 41 -0.068 -4.790 1.727 1.00 0.00 H new ATOM 0 HA LYS A 41 1.546 -4.770 -0.586 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.623 -6.505 1.912 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.917 -6.392 0.737 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.263 -4.037 1.250 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.850 -4.007 2.285 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.922 -5.655 3.807 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.332 -5.704 2.768 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.762 -3.315 3.173 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.294 -3.182 4.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.557 -3.532 5.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.189 -4.363 5.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.330 -5.168 4.893 1.00 0.00 H new ATOM 674 N ASP A 42 -0.355 -7.395 -0.123 1.00 0.00 N ATOM 675 CA ASP A 42 -0.899 -8.590 -0.757 1.00 0.00 C ATOM 676 C ASP A 42 -1.433 -8.271 -2.149 1.00 0.00 C ATOM 677 O ASP A 42 -1.090 -8.939 -3.126 1.00 0.00 O ATOM 678 CB ASP A 42 -2.008 -9.182 0.114 1.00 0.00 C ATOM 679 CG ASP A 42 -2.641 -10.412 -0.502 1.00 0.00 C ATOM 680 OD1 ASP A 42 -2.053 -11.509 -0.378 1.00 0.00 O ATOM 681 OD2 ASP A 42 -3.735 -10.291 -1.090 1.00 0.00 O ATOM 0 H ASP A 42 -0.819 -7.135 0.747 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.098 -9.322 -0.861 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.599 -9.440 1.091 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.777 -8.427 0.279 1.00 0.00 H new ATOM 686 N LYS A 43 -2.253 -7.232 -2.234 1.00 0.00 N ATOM 687 CA LYS A 43 -2.820 -6.801 -3.506 1.00 0.00 C ATOM 688 C LYS A 43 -1.729 -6.347 -4.470 1.00 0.00 C ATOM 689 O LYS A 43 -1.806 -6.606 -5.673 1.00 0.00 O ATOM 690 CB LYS A 43 -3.833 -5.680 -3.286 1.00 0.00 C ATOM 691 CG LYS A 43 -5.130 -6.156 -2.655 1.00 0.00 C ATOM 692 CD LYS A 43 -6.061 -4.997 -2.345 1.00 0.00 C ATOM 693 CE LYS A 43 -7.431 -5.485 -1.901 1.00 0.00 C ATOM 694 NZ LYS A 43 -7.365 -6.329 -0.671 1.00 0.00 N ATOM 0 H LYS A 43 -2.542 -6.669 -1.434 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.331 -7.654 -3.952 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.386 -4.916 -2.649 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.055 -5.207 -4.243 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.628 -6.853 -3.329 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.910 -6.702 -1.737 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.623 -4.377 -1.563 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.167 -4.368 -3.229 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.076 -4.627 -1.715 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.888 -6.058 -2.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.326 -6.482 -0.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.933 -7.246 -0.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.790 -5.848 0.050 1.00 0.00 H new ATOM 708 N ILE A 44 -0.712 -5.678 -3.940 1.00 0.00 N ATOM 709 CA ILE A 44 0.421 -5.255 -4.751 1.00 0.00 C ATOM 710 C ILE A 44 1.173 -6.469 -5.292 1.00 0.00 C ATOM 711 O ILE A 44 1.619 -6.470 -6.437 1.00 0.00 O ATOM 712 CB ILE A 44 1.381 -4.347 -3.949 1.00 0.00 C ATOM 713 CG1 ILE A 44 0.663 -3.059 -3.543 1.00 0.00 C ATOM 714 CG2 ILE A 44 2.626 -4.024 -4.763 1.00 0.00 C ATOM 715 CD1 ILE A 44 1.504 -2.127 -2.700 1.00 0.00 C ATOM 0 H ILE A 44 -0.649 -5.418 -2.956 1.00 0.00 H new ATOM 0 HA ILE A 44 0.032 -4.677 -5.589 1.00 0.00 H new ATOM 0 HB ILE A 44 1.692 -4.879 -3.050 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.346 -2.532 -4.443 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.240 -3.317 -2.990 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.287 -3.384 -4.179 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.146 -4.948 -5.015 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.338 -3.508 -5.679 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.925 -1.237 -2.453 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.799 -2.634 -1.781 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.395 -1.837 -3.257 1.00 0.00 H new ATOM 727 N HIS A 45 1.285 -7.509 -4.471 1.00 0.00 N ATOM 728 CA HIS A 45 1.932 -8.750 -4.884 1.00 0.00 C ATOM 729 C HIS A 45 1.174 -9.410 -6.041 1.00 0.00 C ATOM 730 O HIS A 45 1.764 -10.096 -6.876 1.00 0.00 O ATOM 731 CB HIS A 45 2.029 -9.719 -3.701 1.00 0.00 C ATOM 732 CG HIS A 45 2.716 -11.006 -4.041 1.00 0.00 C ATOM 733 ND1 HIS A 45 4.082 -11.118 -4.171 1.00 0.00 N ATOM 734 CD2 HIS A 45 2.210 -12.235 -4.300 1.00 0.00 C ATOM 735 CE1 HIS A 45 4.389 -12.359 -4.498 1.00 0.00 C ATOM 736 NE2 HIS A 45 3.273 -13.058 -4.583 1.00 0.00 N ATOM 0 H HIS A 45 0.935 -7.517 -3.513 1.00 0.00 H new ATOM 0 HA HIS A 45 2.937 -8.506 -5.229 1.00 0.00 H new ATOM 0 HB2 HIS A 45 2.566 -9.233 -2.886 1.00 0.00 H new ATOM 0 HB3 HIS A 45 1.025 -9.937 -3.336 1.00 0.00 H new ATOM 0 HD1 HIS A 45 4.752 -10.361 -4.036 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.167 -12.515 -4.287 1.00 0.00 H new ATOM 0 HE1 HIS A 45 5.386 -12.739 -4.668 1.00 0.00 H new ATOM 745 N ILE A 46 -0.135 -9.212 -6.072 1.00 0.00 N ATOM 746 CA ILE A 46 -0.968 -9.757 -7.139 1.00 0.00 C ATOM 747 C ILE A 46 -0.664 -9.053 -8.464 1.00 0.00 C ATOM 748 O ILE A 46 -0.735 -9.655 -9.540 1.00 0.00 O ATOM 749 CB ILE A 46 -2.463 -9.624 -6.778 1.00 0.00 C ATOM 750 CG1 ILE A 46 -2.730 -10.361 -5.463 1.00 0.00 C ATOM 751 CG2 ILE A 46 -3.346 -10.176 -7.892 1.00 0.00 C ATOM 752 CD1 ILE A 46 -4.105 -10.121 -4.887 1.00 0.00 C ATOM 0 H ILE A 46 -0.646 -8.677 -5.370 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.739 -10.816 -7.254 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.707 -8.568 -6.658 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.598 -11.431 -5.626 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.983 -10.056 -4.730 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.394 -10.070 -7.612 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.159 -9.623 -8.813 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.117 -11.230 -8.049 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.212 -10.679 -3.957 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.236 -9.057 -4.689 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.861 -10.453 -5.599 1.00 0.00 H new ATOM 764 N VAL A 47 -0.301 -7.781 -8.373 1.00 0.00 N ATOM 765 CA VAL A 47 0.153 -7.024 -9.531 1.00 0.00 C ATOM 766 C VAL A 47 1.602 -7.368 -9.853 1.00 0.00 C ATOM 767 O VAL A 47 1.923 -7.834 -10.948 1.00 0.00 O ATOM 768 CB VAL A 47 0.043 -5.499 -9.289 1.00 0.00 C ATOM 769 CG1 VAL A 47 0.795 -4.719 -10.364 1.00 0.00 C ATOM 770 CG2 VAL A 47 -1.416 -5.070 -9.235 1.00 0.00 C ATOM 0 H VAL A 47 -0.312 -7.249 -7.503 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.490 -7.295 -10.369 1.00 0.00 H new ATOM 0 HB VAL A 47 0.504 -5.275 -8.327 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.702 -3.650 -10.170 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.848 -5.000 -10.348 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.373 -4.949 -11.342 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.473 -3.995 -9.064 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.902 -5.314 -10.180 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.919 -5.594 -8.422 1.00 0.00 H new ATOM 780 N GLU A 48 2.464 -7.162 -8.874 1.00 0.00 N ATOM 781 CA GLU A 48 3.893 -7.294 -9.059 1.00 0.00 C ATOM 782 C GLU A 48 4.413 -8.477 -8.251 1.00 0.00 C ATOM 783 O GLU A 48 4.129 -8.591 -7.061 1.00 0.00 O ATOM 784 CB GLU A 48 4.560 -5.994 -8.617 1.00 0.00 C ATOM 785 CG GLU A 48 5.696 -5.539 -9.513 1.00 0.00 C ATOM 786 CD GLU A 48 5.353 -5.616 -10.986 1.00 0.00 C ATOM 787 OE1 GLU A 48 4.330 -5.037 -11.396 1.00 0.00 O ATOM 788 OE2 GLU A 48 6.121 -6.239 -11.747 1.00 0.00 O ATOM 0 H GLU A 48 2.190 -6.898 -7.928 1.00 0.00 H new ATOM 0 HA GLU A 48 4.125 -7.478 -10.108 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.806 -5.208 -8.578 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.941 -6.121 -7.604 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.962 -4.513 -9.260 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.575 -6.154 -9.317 1.00 0.00 H new ATOM 795 N ASN A 49 5.178 -9.349 -8.903 1.00 0.00 N ATOM 796 CA ASN A 49 5.650 -10.600 -8.288 1.00 0.00 C ATOM 797 C ASN A 49 6.708 -10.373 -7.196 1.00 0.00 C ATOM 798 O ASN A 49 7.461 -11.287 -6.859 1.00 0.00 O ATOM 799 CB ASN A 49 6.216 -11.551 -9.358 1.00 0.00 C ATOM 800 CG ASN A 49 7.594 -11.155 -9.889 1.00 0.00 C ATOM 801 OD1 ASN A 49 8.426 -12.018 -10.170 1.00 0.00 O ATOM 802 ND2 ASN A 49 7.836 -9.864 -10.066 1.00 0.00 N ATOM 0 H ASN A 49 5.490 -9.216 -9.865 1.00 0.00 H new ATOM 0 HA ASN A 49 4.779 -11.050 -7.811 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.276 -12.555 -8.939 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.517 -11.596 -10.193 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.733 -9.561 -10.445 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.125 -9.174 -9.823 1.00 0.00 H new ATOM 809 N THR A 50 6.740 -9.178 -6.626 1.00 0.00 N ATOM 810 CA THR A 50 7.680 -8.857 -5.574 1.00 0.00 C ATOM 811 C THR A 50 7.186 -9.409 -4.236 1.00 0.00 C ATOM 812 O THR A 50 6.038 -9.189 -3.847 1.00 0.00 O ATOM 813 CB THR A 50 7.878 -7.332 -5.472 1.00 0.00 C ATOM 814 OG1 THR A 50 8.174 -6.803 -6.771 1.00 0.00 O ATOM 815 CG2 THR A 50 9.010 -6.989 -4.513 1.00 0.00 C ATOM 0 H THR A 50 6.118 -8.411 -6.881 1.00 0.00 H new ATOM 0 HA THR A 50 8.637 -9.318 -5.817 1.00 0.00 H new ATOM 0 HB THR A 50 6.959 -6.890 -5.089 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.299 -5.833 -6.709 1.00 0.00 H new ATOM 0 HG21 THR A 50 9.127 -5.907 -4.461 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.777 -7.377 -3.521 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.937 -7.438 -4.869 1.00 0.00 H new ATOM 823 N PRO A 51 8.037 -10.189 -3.554 1.00 0.00 N ATOM 824 CA PRO A 51 7.750 -10.709 -2.213 1.00 0.00 C ATOM 825 C PRO A 51 7.327 -9.614 -1.237 1.00 0.00 C ATOM 826 O PRO A 51 7.950 -8.550 -1.166 1.00 0.00 O ATOM 827 CB PRO A 51 9.078 -11.326 -1.773 1.00 0.00 C ATOM 828 CG PRO A 51 9.782 -11.667 -3.041 1.00 0.00 C ATOM 829 CD PRO A 51 9.338 -10.651 -4.060 1.00 0.00 C ATOM 0 HA PRO A 51 6.919 -11.414 -2.226 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.660 -10.625 -1.174 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.918 -12.213 -1.160 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.863 -11.635 -2.906 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.531 -12.677 -3.365 1.00 0.00 H new ATOM 0 HD2 PRO A 51 10.050 -9.829 -4.142 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.247 -11.093 -5.052 1.00 0.00 H new ATOM 837 N ILE A 52 6.283 -9.903 -0.471 1.00 0.00 N ATOM 838 CA ILE A 52 5.673 -8.933 0.431 1.00 0.00 C ATOM 839 C ILE A 52 6.639 -8.495 1.535 1.00 0.00 C ATOM 840 O ILE A 52 6.657 -7.330 1.924 1.00 0.00 O ATOM 841 CB ILE A 52 4.379 -9.519 1.046 1.00 0.00 C ATOM 842 CG1 ILE A 52 3.315 -9.687 -0.044 1.00 0.00 C ATOM 843 CG2 ILE A 52 3.852 -8.641 2.172 1.00 0.00 C ATOM 844 CD1 ILE A 52 2.087 -10.448 0.409 1.00 0.00 C ATOM 0 H ILE A 52 5.834 -10.819 -0.457 1.00 0.00 H new ATOM 0 HA ILE A 52 5.424 -8.047 -0.153 1.00 0.00 H new ATOM 0 HB ILE A 52 4.615 -10.494 1.471 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.010 -8.701 -0.395 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.759 -10.205 -0.894 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.943 -9.081 2.582 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.604 -8.566 2.957 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.631 -7.646 1.785 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.381 -10.525 -0.418 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.377 -11.448 0.733 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.617 -9.920 1.239 1.00 0.00 H new ATOM 856 N LYS A 53 7.456 -9.422 2.018 1.00 0.00 N ATOM 857 CA LYS A 53 8.420 -9.111 3.073 1.00 0.00 C ATOM 858 C LYS A 53 9.570 -8.248 2.553 1.00 0.00 C ATOM 859 O LYS A 53 10.295 -7.643 3.336 1.00 0.00 O ATOM 860 CB LYS A 53 8.992 -10.395 3.679 1.00 0.00 C ATOM 861 CG LYS A 53 7.990 -11.226 4.465 1.00 0.00 C ATOM 862 CD LYS A 53 7.488 -10.489 5.697 1.00 0.00 C ATOM 863 CE LYS A 53 6.645 -11.401 6.571 1.00 0.00 C ATOM 864 NZ LYS A 53 6.108 -10.704 7.772 1.00 0.00 N ATOM 0 H LYS A 53 7.473 -10.391 1.700 1.00 0.00 H new ATOM 0 HA LYS A 53 7.883 -8.551 3.839 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.402 -11.008 2.877 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.821 -10.133 4.336 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.146 -11.479 3.824 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.454 -12.165 4.767 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.335 -10.112 6.270 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.898 -9.624 5.393 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.816 -11.797 5.984 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.247 -12.253 6.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.540 -11.369 8.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.897 -10.348 8.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.511 -9.907 7.473 1.00 0.00 H new ATOM 878 N ARG A 54 9.736 -8.191 1.235 1.00 0.00 N ATOM 879 CA ARG A 54 10.869 -7.486 0.644 1.00 0.00 C ATOM 880 C ARG A 54 10.506 -6.066 0.236 1.00 0.00 C ATOM 881 O ARG A 54 11.335 -5.158 0.321 1.00 0.00 O ATOM 882 CB ARG A 54 11.413 -8.253 -0.559 1.00 0.00 C ATOM 883 CG ARG A 54 12.226 -9.471 -0.167 1.00 0.00 C ATOM 884 CD ARG A 54 12.778 -10.184 -1.383 1.00 0.00 C ATOM 885 NE ARG A 54 13.912 -11.038 -1.035 1.00 0.00 N ATOM 886 CZ ARG A 54 14.688 -11.651 -1.925 1.00 0.00 C ATOM 887 NH1 ARG A 54 14.415 -11.573 -3.222 1.00 0.00 N ATOM 888 NH2 ARG A 54 15.742 -12.344 -1.514 1.00 0.00 N ATOM 0 H ARG A 54 9.105 -8.622 0.559 1.00 0.00 H new ATOM 0 HA ARG A 54 11.643 -7.425 1.409 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.581 -8.566 -1.190 1.00 0.00 H new ATOM 0 HB3 ARG A 54 12.034 -7.586 -1.158 1.00 0.00 H new ATOM 0 HG2 ARG A 54 13.047 -9.168 0.482 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.602 -10.157 0.406 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.993 -10.788 -1.839 1.00 0.00 H new ATOM 0 HD3 ARG A 54 13.089 -9.450 -2.126 1.00 0.00 H new ATOM 0 HE ARG A 54 14.122 -11.173 -0.046 1.00 0.00 H new ATOM 0 HH11 ARG A 54 13.606 -11.041 -3.542 1.00 0.00 H new ATOM 0 HH12 ARG A 54 15.014 -12.046 -3.899 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.955 -12.406 -0.518 1.00 0.00 H new ATOM 0 HH22 ARG A 54 16.339 -12.815 -2.194 1.00 0.00 H new ATOM 902 N MET A 55 9.280 -5.877 -0.220 1.00 0.00 N ATOM 903 CA MET A 55 8.824 -4.551 -0.615 1.00 0.00 C ATOM 904 C MET A 55 8.170 -3.833 0.561 1.00 0.00 C ATOM 905 O MET A 55 7.182 -4.302 1.129 1.00 0.00 O ATOM 906 CB MET A 55 7.864 -4.632 -1.808 1.00 0.00 C ATOM 907 CG MET A 55 6.651 -5.510 -1.575 1.00 0.00 C ATOM 908 SD MET A 55 5.602 -5.636 -3.035 1.00 0.00 S ATOM 909 CE MET A 55 4.306 -6.704 -2.422 1.00 0.00 C ATOM 0 H MET A 55 8.586 -6.617 -0.326 1.00 0.00 H new ATOM 0 HA MET A 55 9.695 -3.973 -0.925 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.527 -3.626 -2.057 1.00 0.00 H new ATOM 0 HB3 MET A 55 8.410 -5.009 -2.673 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.979 -6.507 -1.280 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.068 -5.107 -0.746 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.467 -6.694 -3.118 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.687 -7.721 -2.327 1.00 0.00 H new ATOM 0 HE3 MET A 55 3.973 -6.349 -1.447 1.00 0.00 H new ATOM 919 N GLN A 56 8.738 -2.700 0.936 1.00 0.00 N ATOM 920 CA GLN A 56 8.219 -1.929 2.052 1.00 0.00 C ATOM 921 C GLN A 56 7.464 -0.713 1.534 1.00 0.00 C ATOM 922 O GLN A 56 7.917 -0.044 0.606 1.00 0.00 O ATOM 923 CB GLN A 56 9.350 -1.491 2.984 1.00 0.00 C ATOM 924 CG GLN A 56 8.859 -1.016 4.343 1.00 0.00 C ATOM 925 CD GLN A 56 8.066 -2.085 5.076 1.00 0.00 C ATOM 926 OE1 GLN A 56 6.846 -2.184 4.929 1.00 0.00 O ATOM 927 NE2 GLN A 56 8.750 -2.888 5.874 1.00 0.00 N ATOM 0 H GLN A 56 9.558 -2.294 0.485 1.00 0.00 H new ATOM 0 HA GLN A 56 7.535 -2.560 2.620 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.039 -2.324 3.125 1.00 0.00 H new ATOM 0 HB3 GLN A 56 9.914 -0.689 2.508 1.00 0.00 H new ATOM 0 HG2 GLN A 56 9.713 -0.719 4.952 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.237 -0.131 4.213 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.759 -2.774 5.969 1.00 0.00 H new ATOM 0 HE22 GLN A 56 8.268 -3.621 6.394 1.00 0.00 H new ATOM 936 N LEU A 57 6.322 -0.430 2.138 1.00 0.00 N ATOM 937 CA LEU A 57 5.470 0.657 1.683 1.00 0.00 C ATOM 938 C LEU A 57 5.709 1.910 2.512 1.00 0.00 C ATOM 939 O LEU A 57 5.722 1.860 3.744 1.00 0.00 O ATOM 940 CB LEU A 57 3.999 0.253 1.776 1.00 0.00 C ATOM 941 CG LEU A 57 3.629 -1.060 1.085 1.00 0.00 C ATOM 942 CD1 LEU A 57 2.150 -1.349 1.273 1.00 0.00 C ATOM 943 CD2 LEU A 57 3.978 -1.017 -0.395 1.00 0.00 C ATOM 0 H LEU A 57 5.963 -0.939 2.946 1.00 0.00 H new ATOM 0 HA LEU A 57 5.718 0.870 0.643 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.727 0.178 2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.394 1.052 1.347 1.00 0.00 H new ATOM 0 HG LEU A 57 4.208 -1.862 1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.896 -2.286 0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.927 -1.430 2.337 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.563 -0.539 0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.704 -1.964 -0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.431 -0.205 -0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.049 -0.852 -0.512 1.00 0.00 H new ATOM 955 N TYR A 58 5.912 3.027 1.838 1.00 0.00 N ATOM 956 CA TYR A 58 6.104 4.301 2.513 1.00 0.00 C ATOM 957 C TYR A 58 5.036 5.299 2.092 1.00 0.00 C ATOM 958 O TYR A 58 4.788 5.496 0.902 1.00 0.00 O ATOM 959 CB TYR A 58 7.496 4.864 2.215 1.00 0.00 C ATOM 960 CG TYR A 58 8.614 4.082 2.864 1.00 0.00 C ATOM 961 CD1 TYR A 58 9.102 2.920 2.286 1.00 0.00 C ATOM 962 CD2 TYR A 58 9.171 4.503 4.064 1.00 0.00 C ATOM 963 CE1 TYR A 58 10.112 2.196 2.883 1.00 0.00 C ATOM 964 CE2 TYR A 58 10.183 3.787 4.667 1.00 0.00 C ATOM 965 CZ TYR A 58 10.649 2.634 4.071 1.00 0.00 C ATOM 966 OH TYR A 58 11.650 1.909 4.674 1.00 0.00 O ATOM 0 H TYR A 58 5.949 3.079 0.820 1.00 0.00 H new ATOM 0 HA TYR A 58 6.018 4.131 3.586 1.00 0.00 H new ATOM 0 HB2 TYR A 58 7.651 4.877 1.136 1.00 0.00 H new ATOM 0 HB3 TYR A 58 7.541 5.898 2.556 1.00 0.00 H new ATOM 0 HD1 TYR A 58 8.684 2.576 1.352 1.00 0.00 H new ATOM 0 HD2 TYR A 58 8.806 5.405 4.532 1.00 0.00 H new ATOM 0 HE1 TYR A 58 10.479 1.291 2.421 1.00 0.00 H new ATOM 0 HE2 TYR A 58 10.608 4.127 5.600 1.00 0.00 H new ATOM 0 HH TYR A 58 11.363 1.639 5.572 1.00 0.00 H new ATOM 976 N TYR A 59 4.406 5.919 3.073 1.00 0.00 N ATOM 977 CA TYR A 59 3.373 6.905 2.816 1.00 0.00 C ATOM 978 C TYR A 59 3.740 8.234 3.459 1.00 0.00 C ATOM 979 O TYR A 59 3.887 8.311 4.681 1.00 0.00 O ATOM 980 CB TYR A 59 2.026 6.415 3.350 1.00 0.00 C ATOM 981 CG TYR A 59 0.944 7.469 3.314 1.00 0.00 C ATOM 982 CD1 TYR A 59 0.486 7.978 2.109 1.00 0.00 C ATOM 983 CD2 TYR A 59 0.389 7.959 4.489 1.00 0.00 C ATOM 984 CE1 TYR A 59 -0.496 8.947 2.073 1.00 0.00 C ATOM 985 CE2 TYR A 59 -0.596 8.927 4.461 1.00 0.00 C ATOM 986 CZ TYR A 59 -1.033 9.420 3.250 1.00 0.00 C ATOM 987 OH TYR A 59 -2.015 10.384 3.211 1.00 0.00 O ATOM 0 H TYR A 59 4.594 5.755 4.062 1.00 0.00 H new ATOM 0 HA TYR A 59 3.291 7.048 1.739 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.703 5.554 2.764 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.154 6.072 4.377 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.904 7.611 1.184 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.733 7.577 5.439 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.842 9.333 1.126 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.021 9.296 5.383 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.761 10.114 3.786 1.00 0.00 H new ATOM 997 N SER A 60 3.899 9.266 2.625 1.00 0.00 N ATOM 998 CA SER A 60 4.215 10.616 3.082 1.00 0.00 C ATOM 999 C SER A 60 5.615 10.662 3.699 1.00 0.00 C ATOM 1000 O SER A 60 6.580 11.053 3.045 1.00 0.00 O ATOM 1001 CB SER A 60 3.148 11.102 4.074 1.00 0.00 C ATOM 1002 OG SER A 60 1.866 11.152 3.461 1.00 0.00 O ATOM 0 H SER A 60 3.811 9.185 1.612 1.00 0.00 H new ATOM 0 HA SER A 60 4.211 11.289 2.225 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.117 10.435 4.936 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.416 12.091 4.446 1.00 0.00 H new ATOM 0 HG SER A 60 1.305 10.432 3.817 1.00 0.00 H new ATOM 1008 N GLY A 61 5.716 10.248 4.949 1.00 0.00 N ATOM 1009 CA GLY A 61 6.998 10.150 5.612 1.00 0.00 C ATOM 1010 C GLY A 61 6.993 9.024 6.614 1.00 0.00 C ATOM 1011 O GLY A 61 7.871 8.923 7.470 1.00 0.00 O ATOM 0 H GLY A 61 4.920 9.974 5.525 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.783 9.984 4.874 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.226 11.090 6.114 1.00 0.00 H new ATOM 1015 N ILE A 62 5.995 8.166 6.484 1.00 0.00 N ATOM 1016 CA ILE A 62 5.759 7.099 7.434 1.00 0.00 C ATOM 1017 C ILE A 62 5.943 5.744 6.768 1.00 0.00 C ATOM 1018 O ILE A 62 5.377 5.486 5.703 1.00 0.00 O ATOM 1019 CB ILE A 62 4.329 7.188 8.006 1.00 0.00 C ATOM 1020 CG1 ILE A 62 4.070 8.591 8.564 1.00 0.00 C ATOM 1021 CG2 ILE A 62 4.116 6.136 9.085 1.00 0.00 C ATOM 1022 CD1 ILE A 62 2.616 8.856 8.884 1.00 0.00 C ATOM 0 H ILE A 62 5.326 8.192 5.714 1.00 0.00 H new ATOM 0 HA ILE A 62 6.480 7.207 8.245 1.00 0.00 H new ATOM 0 HB ILE A 62 3.620 6.997 7.200 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.663 8.729 9.468 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.415 9.330 7.841 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.101 6.216 9.476 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.264 5.143 8.660 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.829 6.295 9.894 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.508 9.868 9.274 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.019 8.751 7.978 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.271 8.140 9.631 1.00 0.00 H new ATOM 1034 N GLU A 63 6.744 4.896 7.385 1.00 0.00 N ATOM 1035 CA GLU A 63 6.920 3.535 6.913 1.00 0.00 C ATOM 1036 C GLU A 63 5.753 2.679 7.385 1.00 0.00 C ATOM 1037 O GLU A 63 5.443 2.646 8.577 1.00 0.00 O ATOM 1038 CB GLU A 63 8.235 2.958 7.437 1.00 0.00 C ATOM 1039 CG GLU A 63 8.529 1.551 6.942 1.00 0.00 C ATOM 1040 CD GLU A 63 9.780 0.970 7.560 1.00 0.00 C ATOM 1041 OE1 GLU A 63 10.886 1.245 7.054 1.00 0.00 O ATOM 1042 OE2 GLU A 63 9.663 0.236 8.560 1.00 0.00 O ATOM 0 H GLU A 63 7.285 5.127 8.218 1.00 0.00 H new ATOM 0 HA GLU A 63 6.951 3.537 5.823 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.053 3.615 7.141 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.209 2.952 8.527 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.681 0.905 7.169 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.636 1.566 5.857 1.00 0.00 H new ATOM 1049 N LEU A 64 5.102 1.998 6.458 1.00 0.00 N ATOM 1050 CA LEU A 64 3.989 1.131 6.806 1.00 0.00 C ATOM 1051 C LEU A 64 4.514 -0.216 7.289 1.00 0.00 C ATOM 1052 O LEU A 64 4.363 -1.239 6.620 1.00 0.00 O ATOM 1053 CB LEU A 64 3.049 0.947 5.613 1.00 0.00 C ATOM 1054 CG LEU A 64 2.514 2.247 4.999 1.00 0.00 C ATOM 1055 CD1 LEU A 64 1.536 1.947 3.878 1.00 0.00 C ATOM 1056 CD2 LEU A 64 1.851 3.115 6.056 1.00 0.00 C ATOM 0 H LEU A 64 5.323 2.028 5.463 1.00 0.00 H new ATOM 0 HA LEU A 64 3.421 1.598 7.611 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.575 0.387 4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.202 0.337 5.928 1.00 0.00 H new ATOM 0 HG LEU A 64 3.361 2.795 4.586 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.168 2.882 3.456 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.039 1.371 3.101 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.698 1.372 4.271 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.480 4.030 5.595 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.019 2.571 6.504 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.578 3.366 6.829 1.00 0.00 H new ATOM 1068 N ALA A 65 5.160 -0.191 8.443 1.00 0.00 N ATOM 1069 CA ALA A 65 5.756 -1.383 9.015 1.00 0.00 C ATOM 1070 C ALA A 65 4.705 -2.256 9.681 1.00 0.00 C ATOM 1071 O ALA A 65 4.794 -3.484 9.645 1.00 0.00 O ATOM 1072 CB ALA A 65 6.839 -1.004 10.014 1.00 0.00 C ATOM 0 H ALA A 65 5.285 0.651 9.005 1.00 0.00 H new ATOM 0 HA ALA A 65 6.207 -1.957 8.206 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.278 -1.908 10.436 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.613 -0.426 9.509 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.403 -0.406 10.814 1.00 0.00 H new ATOM 1078 N ASP A 66 3.713 -1.623 10.293 1.00 0.00 N ATOM 1079 CA ASP A 66 2.650 -2.352 10.971 1.00 0.00 C ATOM 1080 C ASP A 66 1.639 -2.850 9.955 1.00 0.00 C ATOM 1081 O ASP A 66 0.822 -2.082 9.448 1.00 0.00 O ATOM 1082 CB ASP A 66 1.955 -1.471 12.011 1.00 0.00 C ATOM 1083 CG ASP A 66 2.927 -0.842 12.984 1.00 0.00 C ATOM 1084 OD1 ASP A 66 3.279 -1.495 13.991 1.00 0.00 O ATOM 1085 OD2 ASP A 66 3.339 0.311 12.750 1.00 0.00 O ATOM 0 H ASP A 66 3.622 -0.608 10.334 1.00 0.00 H new ATOM 0 HA ASP A 66 3.094 -3.202 11.489 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.397 -0.685 11.502 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.230 -2.070 12.563 1.00 0.00 H new ATOM 1090 N ASP A 67 1.704 -4.138 9.661 1.00 0.00 N ATOM 1091 CA ASP A 67 0.878 -4.738 8.616 1.00 0.00 C ATOM 1092 C ASP A 67 -0.563 -4.918 9.090 1.00 0.00 C ATOM 1093 O ASP A 67 -1.494 -4.972 8.286 1.00 0.00 O ATOM 1094 CB ASP A 67 1.456 -6.095 8.200 1.00 0.00 C ATOM 1095 CG ASP A 67 2.883 -6.003 7.688 1.00 0.00 C ATOM 1096 OD1 ASP A 67 3.087 -5.599 6.526 1.00 0.00 O ATOM 1097 OD2 ASP A 67 3.814 -6.350 8.447 1.00 0.00 O ATOM 0 H ASP A 67 2.324 -4.796 10.133 1.00 0.00 H new ATOM 0 HA ASP A 67 0.879 -4.065 7.759 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.425 -6.773 9.053 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.825 -6.530 7.424 1.00 0.00 H new ATOM 1102 N TYR A 68 -0.735 -4.983 10.402 1.00 0.00 N ATOM 1103 CA TYR A 68 -2.028 -5.297 11.010 1.00 0.00 C ATOM 1104 C TYR A 68 -2.929 -4.067 11.148 1.00 0.00 C ATOM 1105 O TYR A 68 -4.088 -4.189 11.546 1.00 0.00 O ATOM 1106 CB TYR A 68 -1.805 -5.944 12.383 1.00 0.00 C ATOM 1107 CG TYR A 68 -0.826 -5.187 13.251 1.00 0.00 C ATOM 1108 CD1 TYR A 68 0.540 -5.411 13.136 1.00 0.00 C ATOM 1109 CD2 TYR A 68 -1.262 -4.243 14.173 1.00 0.00 C ATOM 1110 CE1 TYR A 68 1.444 -4.719 13.913 1.00 0.00 C ATOM 1111 CE2 TYR A 68 -0.363 -3.542 14.953 1.00 0.00 C ATOM 1112 CZ TYR A 68 0.990 -3.784 14.820 1.00 0.00 C ATOM 1113 OH TYR A 68 1.893 -3.081 15.586 1.00 0.00 O ATOM 0 H TYR A 68 0.013 -4.821 11.077 1.00 0.00 H new ATOM 0 HA TYR A 68 -2.542 -5.992 10.346 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.761 -6.015 12.903 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -1.442 -6.962 12.242 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.900 -6.140 12.425 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.320 -4.055 14.281 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.503 -4.908 13.812 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -0.716 -2.809 15.663 1.00 0.00 H new ATOM 0 HH TYR A 68 2.418 -2.487 15.010 1.00 0.00 H new ATOM 1123 N ARG A 69 -2.409 -2.888 10.831 1.00 0.00 N ATOM 1124 CA ARG A 69 -3.204 -1.670 10.928 1.00 0.00 C ATOM 1125 C ARG A 69 -3.877 -1.348 9.605 1.00 0.00 C ATOM 1126 O ARG A 69 -3.475 -1.854 8.553 1.00 0.00 O ATOM 1127 CB ARG A 69 -2.362 -0.477 11.379 1.00 0.00 C ATOM 1128 CG ARG A 69 -2.284 -0.330 12.885 1.00 0.00 C ATOM 1129 CD ARG A 69 -1.839 1.067 13.279 1.00 0.00 C ATOM 1130 NE ARG A 69 -0.420 1.295 13.022 1.00 0.00 N ATOM 1131 CZ ARG A 69 0.310 2.193 13.683 1.00 0.00 C ATOM 1132 NH1 ARG A 69 -0.251 2.958 14.614 1.00 0.00 N ATOM 1133 NH2 ARG A 69 1.603 2.322 13.424 1.00 0.00 N ATOM 0 H ARG A 69 -1.451 -2.749 10.508 1.00 0.00 H new ATOM 0 HA ARG A 69 -3.970 -1.854 11.681 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -1.353 -0.582 10.979 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.781 0.435 10.954 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -3.259 -0.541 13.324 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.587 -1.064 13.289 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -2.427 1.801 12.728 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -2.043 1.225 14.338 1.00 0.00 H new ATOM 0 HE ARG A 69 0.036 0.738 12.299 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -1.244 2.859 14.825 1.00 0.00 H new ATOM 0 HH12 ARG A 69 0.312 3.644 15.117 1.00 0.00 H new ATOM 0 HH21 ARG A 69 2.043 1.733 12.717 1.00 0.00 H new ATOM 0 HH22 ARG A 69 2.159 3.010 13.932 1.00 0.00 H new ATOM 1147 N ASN A 70 -4.899 -0.507 9.668 1.00 0.00 N ATOM 1148 CA ASN A 70 -5.651 -0.129 8.484 1.00 0.00 C ATOM 1149 C ASN A 70 -5.104 1.167 7.903 1.00 0.00 C ATOM 1150 O ASN A 70 -4.543 1.993 8.625 1.00 0.00 O ATOM 1151 CB ASN A 70 -7.142 0.028 8.805 1.00 0.00 C ATOM 1152 CG ASN A 70 -7.767 -1.249 9.339 1.00 0.00 C ATOM 1153 OD1 ASN A 70 -7.301 -2.351 9.061 1.00 0.00 O ATOM 1154 ND2 ASN A 70 -8.837 -1.112 10.103 1.00 0.00 N ATOM 0 H ASN A 70 -5.226 -0.073 10.531 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.542 -0.925 7.747 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -7.269 0.824 9.539 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.672 0.338 7.904 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.302 -1.937 10.482 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.197 -0.181 10.314 1.00 0.00 H new ATOM 1161 N LEU A 71 -5.275 1.340 6.600 1.00 0.00 N ATOM 1162 CA LEU A 71 -4.721 2.488 5.886 1.00 0.00 C ATOM 1163 C LEU A 71 -5.237 3.818 6.435 1.00 0.00 C ATOM 1164 O LEU A 71 -4.478 4.780 6.552 1.00 0.00 O ATOM 1165 CB LEU A 71 -5.042 2.386 4.394 1.00 0.00 C ATOM 1166 CG LEU A 71 -4.522 1.126 3.704 1.00 0.00 C ATOM 1167 CD1 LEU A 71 -4.771 1.206 2.209 1.00 0.00 C ATOM 1168 CD2 LEU A 71 -3.043 0.929 3.994 1.00 0.00 C ATOM 0 H LEU A 71 -5.798 0.694 6.008 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.641 2.467 6.035 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.124 2.431 4.267 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.625 3.257 3.888 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.062 0.265 4.098 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.396 0.302 1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.841 1.299 2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.255 2.075 1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.691 0.027 3.494 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.483 1.789 3.627 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.893 0.830 5.069 1.00 0.00 H new ATOM 1180 N ASN A 72 -6.521 3.869 6.777 1.00 0.00 N ATOM 1181 CA ASN A 72 -7.135 5.110 7.252 1.00 0.00 C ATOM 1182 C ASN A 72 -6.490 5.590 8.554 1.00 0.00 C ATOM 1183 O ASN A 72 -6.448 6.790 8.820 1.00 0.00 O ATOM 1184 CB ASN A 72 -8.655 4.958 7.428 1.00 0.00 C ATOM 1185 CG ASN A 72 -9.042 3.992 8.531 1.00 0.00 C ATOM 1186 OD1 ASN A 72 -9.153 4.372 9.693 1.00 0.00 O ATOM 1187 ND2 ASN A 72 -9.275 2.738 8.172 1.00 0.00 N ATOM 0 H ASN A 72 -7.156 3.072 6.735 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.959 5.866 6.487 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.087 5.935 7.643 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -9.089 4.617 6.488 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -9.557 2.051 8.871 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.172 2.459 7.196 1.00 0.00 H new ATOM 1194 N GLU A 73 -5.970 4.656 9.346 1.00 0.00 N ATOM 1195 CA GLU A 73 -5.310 4.998 10.605 1.00 0.00 C ATOM 1196 C GLU A 73 -4.067 5.846 10.356 1.00 0.00 C ATOM 1197 O GLU A 73 -3.732 6.727 11.149 1.00 0.00 O ATOM 1198 CB GLU A 73 -4.925 3.734 11.368 1.00 0.00 C ATOM 1199 CG GLU A 73 -6.114 2.905 11.810 1.00 0.00 C ATOM 1200 CD GLU A 73 -5.699 1.652 12.544 1.00 0.00 C ATOM 1201 OE1 GLU A 73 -5.135 1.771 13.651 1.00 0.00 O ATOM 1202 OE2 GLU A 73 -5.934 0.547 12.016 1.00 0.00 O ATOM 0 H GLU A 73 -5.992 3.657 9.140 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.014 5.576 11.204 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -4.280 3.122 10.738 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.341 4.013 12.245 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.753 3.507 12.456 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.708 2.632 10.938 1.00 0.00 H new ATOM 1209 N TYR A 74 -3.388 5.577 9.246 1.00 0.00 N ATOM 1210 CA TYR A 74 -2.194 6.326 8.878 1.00 0.00 C ATOM 1211 C TYR A 74 -2.577 7.623 8.173 1.00 0.00 C ATOM 1212 O TYR A 74 -1.723 8.451 7.856 1.00 0.00 O ATOM 1213 CB TYR A 74 -1.292 5.492 7.966 1.00 0.00 C ATOM 1214 CG TYR A 74 -0.813 4.199 8.587 1.00 0.00 C ATOM 1215 CD1 TYR A 74 0.230 4.191 9.503 1.00 0.00 C ATOM 1216 CD2 TYR A 74 -1.394 2.984 8.245 1.00 0.00 C ATOM 1217 CE1 TYR A 74 0.678 3.011 10.061 1.00 0.00 C ATOM 1218 CE2 TYR A 74 -0.952 1.801 8.801 1.00 0.00 C ATOM 1219 CZ TYR A 74 0.086 1.819 9.707 1.00 0.00 C ATOM 1220 OH TYR A 74 0.528 0.643 10.269 1.00 0.00 O ATOM 0 H TYR A 74 -3.646 4.844 8.585 1.00 0.00 H new ATOM 0 HA TYR A 74 -1.648 6.563 9.791 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -1.833 5.263 7.048 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.425 6.090 7.684 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.698 5.123 9.783 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -2.205 2.965 7.532 1.00 0.00 H new ATOM 0 HE1 TYR A 74 1.490 3.022 10.773 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.417 0.866 8.527 1.00 0.00 H new ATOM 0 HH TYR A 74 0.439 -0.084 9.618 1.00 0.00 H new ATOM 1230 N GLY A 75 -3.871 7.791 7.930 1.00 0.00 N ATOM 1231 CA GLY A 75 -4.356 8.972 7.248 1.00 0.00 C ATOM 1232 C GLY A 75 -4.391 8.792 5.743 1.00 0.00 C ATOM 1233 O GLY A 75 -4.562 9.759 5.001 1.00 0.00 O ATOM 0 H GLY A 75 -4.596 7.125 8.196 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.357 9.211 7.607 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.718 9.820 7.496 1.00 0.00 H new ATOM 1237 N ILE A 76 -4.240 7.552 5.298 1.00 0.00 N ATOM 1238 CA ILE A 76 -4.207 7.242 3.876 1.00 0.00 C ATOM 1239 C ILE A 76 -5.605 7.331 3.272 1.00 0.00 C ATOM 1240 O ILE A 76 -6.576 6.828 3.840 1.00 0.00 O ATOM 1241 CB ILE A 76 -3.619 5.835 3.623 1.00 0.00 C ATOM 1242 CG1 ILE A 76 -2.227 5.731 4.253 1.00 0.00 C ATOM 1243 CG2 ILE A 76 -3.556 5.533 2.128 1.00 0.00 C ATOM 1244 CD1 ILE A 76 -1.548 4.396 4.038 1.00 0.00 C ATOM 0 H ILE A 76 -4.138 6.740 5.906 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.563 7.978 3.395 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.272 5.096 4.087 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.595 6.518 3.842 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.310 5.915 5.324 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.139 4.538 1.975 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.560 5.574 1.706 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.924 6.271 1.634 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.568 4.405 4.515 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.157 3.604 4.474 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.430 4.216 2.970 1.00 0.00 H new ATOM 1256 N THR A 77 -5.698 7.979 2.123 1.00 0.00 N ATOM 1257 CA THR A 77 -6.969 8.186 1.459 1.00 0.00 C ATOM 1258 C THR A 77 -6.804 7.992 -0.050 1.00 0.00 C ATOM 1259 O THR A 77 -5.810 7.424 -0.504 1.00 0.00 O ATOM 1260 CB THR A 77 -7.516 9.600 1.774 1.00 0.00 C ATOM 1261 OG1 THR A 77 -8.864 9.743 1.302 1.00 0.00 O ATOM 1262 CG2 THR A 77 -6.636 10.686 1.162 1.00 0.00 C ATOM 0 H THR A 77 -4.898 8.374 1.628 1.00 0.00 H new ATOM 0 HA THR A 77 -7.688 7.454 1.828 1.00 0.00 H new ATOM 0 HB THR A 77 -7.505 9.718 2.858 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.191 10.643 1.513 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.048 11.666 1.402 1.00 0.00 H new ATOM 0 HG22 THR A 77 -5.627 10.608 1.567 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.604 10.561 0.080 1.00 0.00 H new ATOM 1270 N GLU A 78 -7.780 8.438 -0.824 1.00 0.00 N ATOM 1271 CA GLU A 78 -7.696 8.352 -2.269 1.00 0.00 C ATOM 1272 C GLU A 78 -6.636 9.312 -2.794 1.00 0.00 C ATOM 1273 O GLU A 78 -6.492 10.423 -2.282 1.00 0.00 O ATOM 1274 CB GLU A 78 -9.052 8.656 -2.906 1.00 0.00 C ATOM 1275 CG GLU A 78 -9.017 8.675 -4.424 1.00 0.00 C ATOM 1276 CD GLU A 78 -10.393 8.772 -5.033 1.00 0.00 C ATOM 1277 OE1 GLU A 78 -11.001 9.862 -4.979 1.00 0.00 O ATOM 1278 OE2 GLU A 78 -10.869 7.752 -5.570 1.00 0.00 O ATOM 0 H GLU A 78 -8.639 8.863 -0.474 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.411 7.335 -2.538 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.775 7.910 -2.576 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.405 9.623 -2.546 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.415 9.519 -4.760 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.527 7.770 -4.784 1.00 0.00 H new ATOM 1285 N PHE A 79 -5.883 8.855 -3.793 1.00 0.00 N ATOM 1286 CA PHE A 79 -4.843 9.652 -4.445 1.00 0.00 C ATOM 1287 C PHE A 79 -3.631 9.809 -3.528 1.00 0.00 C ATOM 1288 O PHE A 79 -2.738 10.618 -3.783 1.00 0.00 O ATOM 1289 CB PHE A 79 -5.386 11.020 -4.885 1.00 0.00 C ATOM 1290 CG PHE A 79 -4.705 11.574 -6.102 1.00 0.00 C ATOM 1291 CD1 PHE A 79 -5.076 11.145 -7.367 1.00 0.00 C ATOM 1292 CD2 PHE A 79 -3.695 12.518 -5.989 1.00 0.00 C ATOM 1293 CE1 PHE A 79 -4.453 11.648 -8.493 1.00 0.00 C ATOM 1294 CE2 PHE A 79 -3.071 13.024 -7.113 1.00 0.00 C ATOM 1295 CZ PHE A 79 -3.449 12.586 -8.366 1.00 0.00 C ATOM 0 H PHE A 79 -5.977 7.914 -4.176 1.00 0.00 H new ATOM 0 HA PHE A 79 -4.523 9.122 -5.342 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.454 10.930 -5.086 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -5.275 11.727 -4.063 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -5.860 10.410 -7.473 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -3.393 12.862 -5.011 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.752 11.307 -9.473 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -2.288 13.761 -7.011 1.00 0.00 H new ATOM 0 HZ PHE A 79 -2.960 12.977 -9.246 1.00 0.00 H new ATOM 1305 N SER A 80 -3.603 9.027 -2.459 1.00 0.00 N ATOM 1306 CA SER A 80 -2.443 8.970 -1.592 1.00 0.00 C ATOM 1307 C SER A 80 -1.323 8.199 -2.274 1.00 0.00 C ATOM 1308 O SER A 80 -1.535 7.101 -2.796 1.00 0.00 O ATOM 1309 CB SER A 80 -2.808 8.325 -0.254 1.00 0.00 C ATOM 1310 OG SER A 80 -3.661 9.173 0.498 1.00 0.00 O ATOM 0 H SER A 80 -4.374 8.423 -2.174 1.00 0.00 H new ATOM 0 HA SER A 80 -2.097 9.985 -1.396 1.00 0.00 H new ATOM 0 HB2 SER A 80 -3.301 7.369 -0.429 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.901 8.117 0.314 1.00 0.00 H new ATOM 0 HG SER A 80 -3.177 9.515 1.278 1.00 0.00 H new ATOM 1316 N GLU A 81 -0.140 8.790 -2.291 1.00 0.00 N ATOM 1317 CA GLU A 81 0.998 8.202 -2.972 1.00 0.00 C ATOM 1318 C GLU A 81 1.725 7.227 -2.054 1.00 0.00 C ATOM 1319 O GLU A 81 2.147 7.585 -0.955 1.00 0.00 O ATOM 1320 CB GLU A 81 1.945 9.304 -3.450 1.00 0.00 C ATOM 1321 CG GLU A 81 3.091 8.803 -4.311 1.00 0.00 C ATOM 1322 CD GLU A 81 3.956 9.932 -4.827 1.00 0.00 C ATOM 1323 OE1 GLU A 81 3.576 10.560 -5.838 1.00 0.00 O ATOM 1324 OE2 GLU A 81 5.012 10.204 -4.219 1.00 0.00 O ATOM 0 H GLU A 81 0.056 9.682 -1.837 1.00 0.00 H new ATOM 0 HA GLU A 81 0.642 7.647 -3.840 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.374 10.040 -4.016 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.355 9.819 -2.581 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.705 8.114 -3.731 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.690 8.240 -5.154 1.00 0.00 H new ATOM 1331 N ILE A 82 1.843 5.993 -2.506 1.00 0.00 N ATOM 1332 CA ILE A 82 2.544 4.963 -1.766 1.00 0.00 C ATOM 1333 C ILE A 82 3.838 4.604 -2.483 1.00 0.00 C ATOM 1334 O ILE A 82 3.819 4.104 -3.610 1.00 0.00 O ATOM 1335 CB ILE A 82 1.688 3.688 -1.615 1.00 0.00 C ATOM 1336 CG1 ILE A 82 0.337 4.008 -0.969 1.00 0.00 C ATOM 1337 CG2 ILE A 82 2.434 2.641 -0.803 1.00 0.00 C ATOM 1338 CD1 ILE A 82 0.443 4.667 0.391 1.00 0.00 C ATOM 0 H ILE A 82 1.456 5.677 -3.395 1.00 0.00 H new ATOM 0 HA ILE A 82 2.756 5.358 -0.772 1.00 0.00 H new ATOM 0 HB ILE A 82 1.499 3.286 -2.610 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.226 4.662 -1.635 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.234 3.085 -0.870 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.817 1.748 -0.706 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.366 2.385 -1.308 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.655 3.039 0.187 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.556 4.861 0.780 1.00 0.00 H new ATOM 0 HD12 ILE A 82 0.977 4.007 1.075 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.985 5.608 0.298 1.00 0.00 H new ATOM 1350 N VAL A 83 4.955 4.870 -1.838 1.00 0.00 N ATOM 1351 CA VAL A 83 6.251 4.592 -2.427 1.00 0.00 C ATOM 1352 C VAL A 83 6.744 3.224 -1.979 1.00 0.00 C ATOM 1353 O VAL A 83 6.794 2.934 -0.783 1.00 0.00 O ATOM 1354 CB VAL A 83 7.291 5.665 -2.049 1.00 0.00 C ATOM 1355 CG1 VAL A 83 8.573 5.473 -2.845 1.00 0.00 C ATOM 1356 CG2 VAL A 83 6.726 7.060 -2.267 1.00 0.00 C ATOM 0 H VAL A 83 4.993 5.279 -0.904 1.00 0.00 H new ATOM 0 HA VAL A 83 6.130 4.605 -3.510 1.00 0.00 H new ATOM 0 HB VAL A 83 7.527 5.555 -0.991 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.294 6.240 -2.564 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.989 4.488 -2.632 1.00 0.00 H new ATOM 0 HG13 VAL A 83 8.355 5.553 -3.910 1.00 0.00 H new ATOM 0 HG21 VAL A 83 7.476 7.803 -1.994 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.457 7.184 -3.316 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.840 7.195 -1.647 1.00 0.00 H new ATOM 1366 N VAL A 84 7.088 2.387 -2.940 1.00 0.00 N ATOM 1367 CA VAL A 84 7.529 1.036 -2.653 1.00 0.00 C ATOM 1368 C VAL A 84 9.051 0.938 -2.696 1.00 0.00 C ATOM 1369 O VAL A 84 9.662 0.956 -3.767 1.00 0.00 O ATOM 1370 CB VAL A 84 6.914 0.028 -3.645 1.00 0.00 C ATOM 1371 CG1 VAL A 84 7.375 -1.386 -3.327 1.00 0.00 C ATOM 1372 CG2 VAL A 84 5.395 0.109 -3.618 1.00 0.00 C ATOM 0 H VAL A 84 7.070 2.622 -3.932 1.00 0.00 H new ATOM 0 HA VAL A 84 7.188 0.789 -1.648 1.00 0.00 H new ATOM 0 HB VAL A 84 7.256 0.285 -4.648 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.930 -2.082 -4.038 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.461 -1.439 -3.398 1.00 0.00 H new ATOM 0 HG13 VAL A 84 7.064 -1.651 -2.317 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.980 -0.610 -4.325 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.036 -0.120 -2.614 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.079 1.115 -3.896 1.00 0.00 H new ATOM 1382 N PHE A 85 9.658 0.850 -1.523 1.00 0.00 N ATOM 1383 CA PHE A 85 11.097 0.677 -1.423 1.00 0.00 C ATOM 1384 C PHE A 85 11.436 -0.787 -1.197 1.00 0.00 C ATOM 1385 O PHE A 85 10.975 -1.402 -0.235 1.00 0.00 O ATOM 1386 CB PHE A 85 11.683 1.527 -0.296 1.00 0.00 C ATOM 1387 CG PHE A 85 11.906 2.967 -0.670 1.00 0.00 C ATOM 1388 CD1 PHE A 85 12.996 3.332 -1.443 1.00 0.00 C ATOM 1389 CD2 PHE A 85 11.032 3.954 -0.243 1.00 0.00 C ATOM 1390 CE1 PHE A 85 13.210 4.655 -1.786 1.00 0.00 C ATOM 1391 CE2 PHE A 85 11.241 5.279 -0.581 1.00 0.00 C ATOM 1392 CZ PHE A 85 12.331 5.629 -1.354 1.00 0.00 C ATOM 0 H PHE A 85 9.175 0.896 -0.626 1.00 0.00 H new ATOM 0 HA PHE A 85 11.539 1.008 -2.363 1.00 0.00 H new ATOM 0 HB2 PHE A 85 11.014 1.485 0.563 1.00 0.00 H new ATOM 0 HB3 PHE A 85 12.632 1.092 0.018 1.00 0.00 H new ATOM 0 HD1 PHE A 85 13.687 2.575 -1.782 1.00 0.00 H new ATOM 0 HD2 PHE A 85 10.178 3.686 0.361 1.00 0.00 H new ATOM 0 HE1 PHE A 85 14.063 4.926 -2.391 1.00 0.00 H new ATOM 0 HE2 PHE A 85 10.553 6.039 -0.241 1.00 0.00 H new ATOM 0 HZ PHE A 85 12.496 6.663 -1.620 1.00 0.00 H new ATOM 1402 N LEU A 86 12.234 -1.341 -2.092 1.00 0.00 N ATOM 1403 CA LEU A 86 12.614 -2.739 -1.998 1.00 0.00 C ATOM 1404 C LEU A 86 13.839 -2.887 -1.115 1.00 0.00 C ATOM 1405 O LEU A 86 14.886 -2.298 -1.384 1.00 0.00 O ATOM 1406 CB LEU A 86 12.893 -3.321 -3.386 1.00 0.00 C ATOM 1407 CG LEU A 86 11.781 -3.096 -4.417 1.00 0.00 C ATOM 1408 CD1 LEU A 86 12.050 -3.897 -5.682 1.00 0.00 C ATOM 1409 CD2 LEU A 86 10.424 -3.462 -3.830 1.00 0.00 C ATOM 0 H LEU A 86 12.631 -0.846 -2.890 1.00 0.00 H new ATOM 0 HA LEU A 86 11.785 -3.291 -1.555 1.00 0.00 H new ATOM 0 HB2 LEU A 86 13.816 -2.885 -3.768 1.00 0.00 H new ATOM 0 HB3 LEU A 86 13.065 -4.393 -3.287 1.00 0.00 H new ATOM 0 HG LEU A 86 11.768 -2.038 -4.679 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.249 -3.723 -6.400 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.000 -3.585 -6.115 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.094 -4.958 -5.438 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.648 -3.296 -4.577 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.426 -4.512 -3.536 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.226 -2.841 -2.956 1.00 0.00 H new ATOM 1421 N LYS A 87 13.701 -3.664 -0.053 1.00 0.00 N ATOM 1422 CA LYS A 87 14.796 -3.879 0.879 1.00 0.00 C ATOM 1423 C LYS A 87 15.810 -4.844 0.295 1.00 0.00 C ATOM 1424 O LYS A 87 17.006 -4.767 0.583 1.00 0.00 O ATOM 1425 CB LYS A 87 14.257 -4.396 2.212 1.00 0.00 C ATOM 1426 CG LYS A 87 13.289 -3.429 2.871 1.00 0.00 C ATOM 1427 CD LYS A 87 13.966 -2.102 3.167 1.00 0.00 C ATOM 1428 CE LYS A 87 12.963 -1.045 3.591 1.00 0.00 C ATOM 1429 NZ LYS A 87 13.633 0.215 4.014 1.00 0.00 N ATOM 0 H LYS A 87 12.840 -4.157 0.185 1.00 0.00 H new ATOM 0 HA LYS A 87 15.299 -2.928 1.056 1.00 0.00 H new ATOM 0 HB2 LYS A 87 13.756 -5.350 2.050 1.00 0.00 H new ATOM 0 HB3 LYS A 87 15.091 -4.584 2.888 1.00 0.00 H new ATOM 0 HG2 LYS A 87 12.431 -3.267 2.219 1.00 0.00 H new ATOM 0 HG3 LYS A 87 12.909 -3.862 3.796 1.00 0.00 H new ATOM 0 HD2 LYS A 87 14.706 -2.239 3.955 1.00 0.00 H new ATOM 0 HD3 LYS A 87 14.502 -1.761 2.281 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.284 -0.836 2.764 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.357 -1.428 4.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.939 0.842 4.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 14.394 -0.006 4.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 14.035 0.691 3.181 1.00 0.00 H new ATOM 1443 N SER A 88 15.320 -5.742 -0.532 1.00 0.00 N ATOM 1444 CA SER A 88 16.167 -6.688 -1.230 1.00 0.00 C ATOM 1445 C SER A 88 16.183 -6.351 -2.716 1.00 0.00 C ATOM 1446 O SER A 88 15.212 -6.603 -3.430 1.00 0.00 O ATOM 1447 CB SER A 88 15.658 -8.110 -1.007 1.00 0.00 C ATOM 1448 OG SER A 88 15.419 -8.351 0.374 1.00 0.00 O ATOM 0 H SER A 88 14.326 -5.838 -0.740 1.00 0.00 H new ATOM 0 HA SER A 88 17.183 -6.624 -0.841 1.00 0.00 H new ATOM 0 HB2 SER A 88 14.739 -8.265 -1.572 1.00 0.00 H new ATOM 0 HB3 SER A 88 16.388 -8.826 -1.384 1.00 0.00 H new ATOM 0 HG SER A 88 15.247 -9.305 0.515 1.00 0.00 H new ATOM 1454 N ILE A 89 17.277 -5.754 -3.165 1.00 0.00 N ATOM 1455 CA ILE A 89 17.390 -5.299 -4.543 1.00 0.00 C ATOM 1456 C ILE A 89 17.999 -6.379 -5.433 1.00 0.00 C ATOM 1457 O ILE A 89 17.877 -6.327 -6.658 1.00 0.00 O ATOM 1458 CB ILE A 89 18.248 -4.019 -4.649 1.00 0.00 C ATOM 1459 CG1 ILE A 89 19.656 -4.265 -4.091 1.00 0.00 C ATOM 1460 CG2 ILE A 89 17.565 -2.867 -3.920 1.00 0.00 C ATOM 1461 CD1 ILE A 89 20.595 -3.095 -4.281 1.00 0.00 C ATOM 0 H ILE A 89 18.102 -5.573 -2.593 1.00 0.00 H new ATOM 0 HA ILE A 89 16.378 -5.078 -4.883 1.00 0.00 H new ATOM 0 HB ILE A 89 18.347 -3.749 -5.700 1.00 0.00 H new ATOM 0 HG12 ILE A 89 19.582 -4.492 -3.027 1.00 0.00 H new ATOM 0 HG13 ILE A 89 20.081 -5.144 -4.575 1.00 0.00 H new ATOM 0 HG21 ILE A 89 18.179 -1.970 -4.001 1.00 0.00 H new ATOM 0 HG22 ILE A 89 16.589 -2.681 -4.368 1.00 0.00 H new ATOM 0 HG23 ILE A 89 17.438 -3.126 -2.869 1.00 0.00 H new ATOM 0 HD11 ILE A 89 21.571 -3.340 -3.863 1.00 0.00 H new ATOM 0 HD12 ILE A 89 20.699 -2.881 -5.345 1.00 0.00 H new ATOM 0 HD13 ILE A 89 20.192 -2.219 -3.773 1.00 0.00 H new ATOM 1473 N ASN A 90 18.658 -7.349 -4.812 1.00 0.00 N ATOM 1474 CA ASN A 90 19.301 -8.426 -5.551 1.00 0.00 C ATOM 1475 C ASN A 90 18.262 -9.418 -6.049 1.00 0.00 C ATOM 1476 O ASN A 90 17.668 -10.164 -5.266 1.00 0.00 O ATOM 1477 CB ASN A 90 20.343 -9.137 -4.683 1.00 0.00 C ATOM 1478 CG ASN A 90 21.111 -10.198 -5.448 1.00 0.00 C ATOM 1479 OD1 ASN A 90 20.730 -11.370 -5.473 1.00 0.00 O ATOM 1480 ND2 ASN A 90 22.197 -9.790 -6.081 1.00 0.00 N ATOM 0 H ASN A 90 18.761 -7.411 -3.799 1.00 0.00 H new ATOM 0 HA ASN A 90 19.812 -7.992 -6.410 1.00 0.00 H new ATOM 0 HB2 ASN A 90 21.043 -8.402 -4.286 1.00 0.00 H new ATOM 0 HB3 ASN A 90 19.846 -9.598 -3.829 1.00 0.00 H new ATOM 0 HD21 ASN A 90 22.755 -10.455 -6.616 1.00 0.00 H new ATOM 0 HD22 ASN A 90 22.477 -8.810 -6.034 1.00 0.00 H new ATOM 1487 N ARG A 91 18.037 -9.411 -7.354 1.00 0.00 N ATOM 1488 CA ARG A 91 17.050 -10.285 -7.968 1.00 0.00 C ATOM 1489 C ARG A 91 17.648 -11.645 -8.288 1.00 0.00 C ATOM 1490 O ARG A 91 18.868 -11.794 -8.396 1.00 0.00 O ATOM 1491 CB ARG A 91 16.503 -9.659 -9.252 1.00 0.00 C ATOM 1492 CG ARG A 91 17.590 -9.227 -10.223 1.00 0.00 C ATOM 1493 CD ARG A 91 17.019 -8.832 -11.570 1.00 0.00 C ATOM 1494 NE ARG A 91 16.768 -9.996 -12.420 1.00 0.00 N ATOM 1495 CZ ARG A 91 16.140 -9.931 -13.596 1.00 0.00 C ATOM 1496 NH1 ARG A 91 15.576 -8.793 -13.991 1.00 0.00 N ATOM 1497 NH2 ARG A 91 16.060 -11.011 -14.363 1.00 0.00 N ATOM 0 H ARG A 91 18.528 -8.805 -8.012 1.00 0.00 H new ATOM 0 HA ARG A 91 16.237 -10.416 -7.254 1.00 0.00 H new ATOM 0 HB2 ARG A 91 15.848 -10.376 -9.747 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.892 -8.794 -8.994 1.00 0.00 H new ATOM 0 HG2 ARG A 91 18.140 -8.386 -9.801 1.00 0.00 H new ATOM 0 HG3 ARG A 91 18.303 -10.041 -10.355 1.00 0.00 H new ATOM 0 HD2 ARG A 91 16.089 -8.283 -11.423 1.00 0.00 H new ATOM 0 HD3 ARG A 91 17.711 -8.157 -12.074 1.00 0.00 H new ATOM 0 HE ARG A 91 17.091 -10.908 -12.096 1.00 0.00 H new ATOM 0 HH11 ARG A 91 15.623 -7.967 -13.395 1.00 0.00 H new ATOM 0 HH12 ARG A 91 15.097 -8.747 -14.890 1.00 0.00 H new ATOM 0 HH21 ARG A 91 16.478 -11.888 -14.053 1.00 0.00 H new ATOM 0 HH22 ARG A 91 15.581 -10.964 -15.262 1.00 0.00 H new ATOM 1511 N ALA A 92 16.785 -12.635 -8.424 1.00 0.00 N ATOM 1512 CA ALA A 92 17.201 -13.962 -8.836 1.00 0.00 C ATOM 1513 C ALA A 92 17.268 -14.042 -10.357 1.00 0.00 C ATOM 1514 O ALA A 92 17.098 -13.033 -11.051 1.00 0.00 O ATOM 1515 CB ALA A 92 16.240 -15.007 -8.286 1.00 0.00 C ATOM 0 H ALA A 92 15.784 -12.543 -8.253 1.00 0.00 H new ATOM 0 HA ALA A 92 18.195 -14.162 -8.435 1.00 0.00 H new ATOM 0 HB1 ALA A 92 16.562 -15.999 -8.602 1.00 0.00 H new ATOM 0 HB2 ALA A 92 16.232 -14.957 -7.197 1.00 0.00 H new ATOM 0 HB3 ALA A 92 15.236 -14.814 -8.665 1.00 0.00 H new ATOM 1521 N LYS A 93 17.519 -15.235 -10.870 1.00 0.00 N ATOM 1522 CA LYS A 93 17.597 -15.450 -12.305 1.00 0.00 C ATOM 1523 C LYS A 93 16.293 -16.042 -12.816 1.00 0.00 C ATOM 1524 O LYS A 93 15.667 -16.864 -12.140 1.00 0.00 O ATOM 1525 CB LYS A 93 18.757 -16.389 -12.635 1.00 0.00 C ATOM 1526 CG LYS A 93 18.936 -16.647 -14.121 1.00 0.00 C ATOM 1527 CD LYS A 93 19.938 -17.757 -14.374 1.00 0.00 C ATOM 1528 CE LYS A 93 20.132 -18.005 -15.855 1.00 0.00 C ATOM 1529 NZ LYS A 93 21.063 -19.133 -16.107 1.00 0.00 N ATOM 0 H LYS A 93 17.673 -16.074 -10.310 1.00 0.00 H new ATOM 0 HA LYS A 93 17.768 -14.491 -12.793 1.00 0.00 H new ATOM 0 HB2 LYS A 93 19.679 -15.966 -12.236 1.00 0.00 H new ATOM 0 HB3 LYS A 93 18.597 -17.340 -12.128 1.00 0.00 H new ATOM 0 HG2 LYS A 93 17.976 -16.914 -14.564 1.00 0.00 H new ATOM 0 HG3 LYS A 93 19.271 -15.734 -14.613 1.00 0.00 H new ATOM 0 HD2 LYS A 93 20.894 -17.496 -13.920 1.00 0.00 H new ATOM 0 HD3 LYS A 93 19.596 -18.673 -13.893 1.00 0.00 H new ATOM 0 HE2 LYS A 93 19.168 -18.219 -16.317 1.00 0.00 H new ATOM 0 HE3 LYS A 93 20.519 -17.102 -16.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 21.170 -19.272 -17.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 21.990 -18.918 -15.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 20.682 -20.000 -15.678 1.00 0.00 H new ATOM 1543 N ASP A 94 15.877 -15.622 -13.996 1.00 0.00 N ATOM 1544 CA ASP A 94 14.680 -16.168 -14.607 1.00 0.00 C ATOM 1545 C ASP A 94 15.017 -16.778 -15.955 1.00 0.00 C ATOM 1546 O ASP A 94 15.164 -16.023 -16.940 1.00 0.00 O ATOM 1547 CB ASP A 94 13.602 -15.096 -14.763 1.00 0.00 C ATOM 1548 CG ASP A 94 12.319 -15.668 -15.330 1.00 0.00 C ATOM 1549 OD1 ASP A 94 11.676 -16.493 -14.645 1.00 0.00 O ATOM 1550 OD2 ASP A 94 11.941 -15.286 -16.460 1.00 0.00 O ATOM 1551 OXT ASP A 94 15.154 -18.013 -16.025 1.00 0.00 O ATOM 0 H ASP A 94 16.349 -14.907 -14.549 1.00 0.00 H new ATOM 0 HA ASP A 94 14.287 -16.946 -13.952 1.00 0.00 H new ATOM 0 HB2 ASP A 94 13.400 -14.640 -13.794 1.00 0.00 H new ATOM 0 HB3 ASP A 94 13.968 -14.305 -15.417 1.00 0.00 H new TER 1556 ASP A 94