USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 803 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 60 ASN : amide:sc= -1.44! C(o=-1.4!,f=-6.2!) USER MOD Set 1.2: A 61 SER OG : rot 104:sc= 0.085 USER MOD Set 2.1: A 9 SER OG : rot 180:sc= -0.0428 USER MOD Set 2.2: A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 0 SER OG : rot 90:sc= 0.988 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -76:sc= 0.587 USER MOD Single : A 4 GLN : amide:sc= -1.38 X(o=-1.4,f=-1.1) USER MOD Single : A 7 LYS NZ :NH3+ -163:sc= -0.361 (180deg=-0.663) USER MOD Single : A -1 GLY N :NH3+ 172:sc= -0.0816 (180deg=-0.189) USER MOD Single : A 16 LYS NZ :NH3+ -142:sc= -0.137 (180deg=-1.23!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.0004) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 61:sc= -0.373 USER MOD Single : A 35 HIS : no HE2:sc= -19.1! C(o=-19!,f=-25!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -123:sc= -0.0141 (180deg=-0.164) USER MOD Single : A 40 MET CE :methyl 165:sc= -5.93! (180deg=-7.09!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 120:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -3.43! C(o=-3.4!,f=-3.5!) USER MOD Single : A 45 LYS NZ :NH3+ 136:sc= -0.183 (180deg=-1.29!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 96:sc= 0.276 USER MOD Single : A 51 TYR OH : rot 30:sc= 0 USER MOD Single : A 52 CYS SG : rot 66:sc= -8.4! USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 55 GLN : amide:sc= -1.03 X(o=-1,f=-0.98) USER MOD Single : A 59 MET CE :methyl 141:sc= -0.1 (180deg=-0.849) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= -0.618 X(o=-0.62,f=-0.33!) USER MOD Single : A 75 HIS : no HD1:sc= -5.49 K(o=-5.5,f=-13!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -169:sc= -3.6! (180deg=-4.17!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -3.07! C(o=-3.1!,f=-5.1!) USER MOD Single : A 94 GLN : amide:sc= -0.197 X(o=-0.2,f=-0.33) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 HIS : no HD1:sc= 0.0206 K(o=0.021,f=-2!) USER MOD Single : A 99 SER OG : rot 180:sc= -2.43! USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 46.650 -12.322 9.355 1.00 0.00 N ATOM 2 CA GLY A -1 47.916 -12.752 8.699 1.00 0.00 C ATOM 3 C GLY A -1 48.393 -11.652 7.750 1.00 0.00 C ATOM 4 O GLY A -1 49.262 -11.862 6.925 1.00 0.00 O ATOM 0 H1 GLY A -1 46.252 -13.117 9.895 1.00 0.00 H new ATOM 0 H2 GLY A -1 46.845 -11.529 9.999 1.00 0.00 H new ATOM 0 H3 GLY A -1 45.968 -12.020 8.630 1.00 0.00 H new ATOM 0 HA2 GLY A -1 48.678 -12.955 9.451 1.00 0.00 H new ATOM 0 HA3 GLY A -1 47.757 -13.679 8.149 1.00 0.00 H new ATOM 10 N SER A 0 47.830 -10.483 7.857 1.00 0.00 N ATOM 11 CA SER A 0 48.246 -9.371 6.956 1.00 0.00 C ATOM 12 C SER A 0 48.344 -8.055 7.731 1.00 0.00 C ATOM 13 O SER A 0 47.799 -7.914 8.808 1.00 0.00 O ATOM 14 CB SER A 0 47.138 -9.291 5.907 1.00 0.00 C ATOM 15 OG SER A 0 45.910 -8.969 6.549 1.00 0.00 O ATOM 0 H SER A 0 47.100 -10.248 8.529 1.00 0.00 H new ATOM 0 HA SER A 0 49.227 -9.544 6.513 1.00 0.00 H new ATOM 0 HB2 SER A 0 47.381 -8.535 5.160 1.00 0.00 H new ATOM 0 HB3 SER A 0 47.049 -10.242 5.381 1.00 0.00 H new ATOM 0 HG SER A 0 45.801 -7.995 6.577 1.00 0.00 H new ATOM 21 N MET A 1 49.030 -7.086 7.185 1.00 0.00 N ATOM 22 CA MET A 1 49.154 -5.777 7.888 1.00 0.00 C ATOM 23 C MET A 1 47.784 -5.091 7.965 1.00 0.00 C ATOM 24 O MET A 1 47.508 -4.338 8.877 1.00 0.00 O ATOM 25 CB MET A 1 50.144 -4.960 7.054 1.00 0.00 C ATOM 26 CG MET A 1 51.528 -5.608 7.137 1.00 0.00 C ATOM 27 SD MET A 1 52.760 -4.512 6.387 1.00 0.00 S ATOM 28 CE MET A 1 53.649 -5.781 5.452 1.00 0.00 C ATOM 0 H MET A 1 49.508 -7.144 6.286 1.00 0.00 H new ATOM 0 HA MET A 1 49.504 -5.886 8.914 1.00 0.00 H new ATOM 0 HB2 MET A 1 49.813 -4.914 6.017 1.00 0.00 H new ATOM 0 HB3 MET A 1 50.187 -3.934 7.421 1.00 0.00 H new ATOM 0 HG2 MET A 1 51.787 -5.804 8.178 1.00 0.00 H new ATOM 0 HG3 MET A 1 51.522 -6.569 6.624 1.00 0.00 H new ATOM 0 HE1 MET A 1 54.469 -5.320 4.902 1.00 0.00 H new ATOM 0 HE2 MET A 1 54.048 -6.527 6.139 1.00 0.00 H new ATOM 0 HE3 MET A 1 52.966 -6.262 4.751 1.00 0.00 H new ATOM 38 N SER A 2 46.927 -5.345 7.015 1.00 0.00 N ATOM 39 CA SER A 2 45.575 -4.711 7.034 1.00 0.00 C ATOM 40 C SER A 2 44.504 -5.735 6.646 1.00 0.00 C ATOM 41 O SER A 2 44.806 -6.858 6.290 1.00 0.00 O ATOM 42 CB SER A 2 45.648 -3.590 5.998 1.00 0.00 C ATOM 43 OG SER A 2 44.425 -2.866 6.002 1.00 0.00 O ATOM 0 H SER A 2 47.103 -5.965 6.224 1.00 0.00 H new ATOM 0 HA SER A 2 45.309 -4.335 8.022 1.00 0.00 H new ATOM 0 HB2 SER A 2 46.480 -2.923 6.225 1.00 0.00 H new ATOM 0 HB3 SER A 2 45.834 -4.006 5.008 1.00 0.00 H new ATOM 0 HG SER A 2 43.735 -3.386 5.539 1.00 0.00 H new ATOM 49 N ASP A 3 43.252 -5.362 6.702 1.00 0.00 N ATOM 50 CA ASP A 3 42.190 -6.332 6.322 1.00 0.00 C ATOM 51 C ASP A 3 42.434 -6.790 4.882 1.00 0.00 C ATOM 52 O ASP A 3 42.305 -7.955 4.558 1.00 0.00 O ATOM 53 CB ASP A 3 40.872 -5.556 6.442 1.00 0.00 C ATOM 54 CG ASP A 3 40.908 -4.336 5.519 1.00 0.00 C ATOM 55 OD1 ASP A 3 41.999 -3.904 5.188 1.00 0.00 O ATOM 56 OD2 ASP A 3 39.844 -3.850 5.164 1.00 0.00 O ATOM 0 H ASP A 3 42.925 -4.440 6.991 1.00 0.00 H new ATOM 0 HA ASP A 3 42.175 -7.222 6.951 1.00 0.00 H new ATOM 0 HB2 ASP A 3 40.034 -6.200 6.177 1.00 0.00 H new ATOM 0 HB3 ASP A 3 40.717 -5.240 7.474 1.00 0.00 H new ATOM 61 N GLN A 4 42.820 -5.884 4.022 1.00 0.00 N ATOM 62 CA GLN A 4 43.104 -6.269 2.609 1.00 0.00 C ATOM 63 C GLN A 4 44.457 -6.980 2.534 1.00 0.00 C ATOM 64 O GLN A 4 45.425 -6.559 3.137 1.00 0.00 O ATOM 65 CB GLN A 4 43.167 -4.954 1.835 1.00 0.00 C ATOM 66 CG GLN A 4 43.327 -5.257 0.343 1.00 0.00 C ATOM 67 CD GLN A 4 43.238 -3.959 -0.458 1.00 0.00 C ATOM 68 OE1 GLN A 4 43.954 -3.775 -1.420 1.00 0.00 O ATOM 69 NE2 GLN A 4 42.376 -3.047 -0.103 1.00 0.00 N ATOM 0 H GLN A 4 42.951 -4.896 4.237 1.00 0.00 H new ATOM 0 HA GLN A 4 42.348 -6.943 2.206 1.00 0.00 H new ATOM 0 HB2 GLN A 4 42.260 -4.374 2.006 1.00 0.00 H new ATOM 0 HB3 GLN A 4 44.003 -4.350 2.188 1.00 0.00 H new ATOM 0 HG2 GLN A 4 44.286 -5.743 0.161 1.00 0.00 H new ATOM 0 HG3 GLN A 4 42.552 -5.950 0.018 1.00 0.00 H new ATOM 0 HE21 GLN A 4 41.774 -3.202 0.706 1.00 0.00 H new ATOM 0 HE22 GLN A 4 42.304 -2.179 -0.634 1.00 0.00 H new ATOM 78 N GLU A 5 44.527 -8.061 1.811 1.00 0.00 N ATOM 79 CA GLU A 5 45.813 -8.809 1.703 1.00 0.00 C ATOM 80 C GLU A 5 46.856 -7.992 0.937 1.00 0.00 C ATOM 81 O GLU A 5 48.042 -8.107 1.172 1.00 0.00 O ATOM 82 CB GLU A 5 45.457 -10.076 0.929 1.00 0.00 C ATOM 83 CG GLU A 5 44.402 -10.871 1.704 1.00 0.00 C ATOM 84 CD GLU A 5 44.993 -11.369 3.023 1.00 0.00 C ATOM 85 OE1 GLU A 5 45.204 -10.549 3.900 1.00 0.00 O ATOM 86 OE2 GLU A 5 45.221 -12.563 3.134 1.00 0.00 O ATOM 0 H GLU A 5 43.748 -8.461 1.288 1.00 0.00 H new ATOM 0 HA GLU A 5 46.245 -9.024 2.680 1.00 0.00 H new ATOM 0 HB2 GLU A 5 45.078 -9.816 -0.059 1.00 0.00 H new ATOM 0 HB3 GLU A 5 46.348 -10.685 0.779 1.00 0.00 H new ATOM 0 HG2 GLU A 5 43.532 -10.244 1.899 1.00 0.00 H new ATOM 0 HG3 GLU A 5 44.059 -11.716 1.107 1.00 0.00 H new ATOM 93 N ALA A 6 46.428 -7.178 0.011 1.00 0.00 N ATOM 94 CA ALA A 6 47.404 -6.377 -0.777 1.00 0.00 C ATOM 95 C ALA A 6 47.267 -4.885 -0.475 1.00 0.00 C ATOM 96 O ALA A 6 46.186 -4.371 -0.269 1.00 0.00 O ATOM 97 CB ALA A 6 47.058 -6.659 -2.240 1.00 0.00 C ATOM 0 H ALA A 6 45.448 -7.034 -0.233 1.00 0.00 H new ATOM 0 HA ALA A 6 48.432 -6.645 -0.534 1.00 0.00 H new ATOM 0 HB1 ALA A 6 47.736 -6.103 -2.888 1.00 0.00 H new ATOM 0 HB2 ALA A 6 47.160 -7.726 -2.439 1.00 0.00 H new ATOM 0 HB3 ALA A 6 46.032 -6.350 -2.437 1.00 0.00 H new ATOM 103 N LYS A 7 48.374 -4.190 -0.461 1.00 0.00 N ATOM 104 CA LYS A 7 48.363 -2.723 -0.194 1.00 0.00 C ATOM 105 C LYS A 7 48.736 -1.963 -1.472 1.00 0.00 C ATOM 106 O LYS A 7 49.497 -2.458 -2.277 1.00 0.00 O ATOM 107 CB LYS A 7 49.432 -2.517 0.881 1.00 0.00 C ATOM 108 CG LYS A 7 48.936 -3.048 2.228 1.00 0.00 C ATOM 109 CD LYS A 7 48.645 -1.855 3.141 1.00 0.00 C ATOM 110 CE LYS A 7 48.197 -2.344 4.520 1.00 0.00 C ATOM 111 NZ LYS A 7 47.853 -1.106 5.277 1.00 0.00 N ATOM 0 H LYS A 7 49.300 -4.585 -0.626 1.00 0.00 H new ATOM 0 HA LYS A 7 47.386 -2.359 0.125 1.00 0.00 H new ATOM 0 HB2 LYS A 7 50.350 -3.031 0.595 1.00 0.00 H new ATOM 0 HB3 LYS A 7 49.673 -1.457 0.966 1.00 0.00 H new ATOM 0 HG2 LYS A 7 48.037 -3.649 2.091 1.00 0.00 H new ATOM 0 HG3 LYS A 7 49.687 -3.697 2.679 1.00 0.00 H new ATOM 0 HD2 LYS A 7 49.537 -1.236 3.238 1.00 0.00 H new ATOM 0 HD3 LYS A 7 47.869 -1.230 2.699 1.00 0.00 H new ATOM 0 HE2 LYS A 7 47.338 -3.010 4.442 1.00 0.00 H new ATOM 0 HE3 LYS A 7 48.990 -2.903 5.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 47.817 -1.320 6.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 48.576 -0.379 5.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 46.926 -0.754 4.964 1.00 0.00 H new ATOM 125 N PRO A 8 48.190 -0.781 -1.624 1.00 0.00 N ATOM 126 CA PRO A 8 48.481 0.040 -2.825 1.00 0.00 C ATOM 127 C PRO A 8 49.963 0.419 -2.865 1.00 0.00 C ATOM 128 O PRO A 8 50.601 0.576 -1.844 1.00 0.00 O ATOM 129 CB PRO A 8 47.595 1.272 -2.616 1.00 0.00 C ATOM 130 CG PRO A 8 46.835 1.113 -1.284 1.00 0.00 C ATOM 131 CD PRO A 8 47.265 -0.205 -0.622 1.00 0.00 C ATOM 0 HA PRO A 8 48.282 -0.471 -3.767 1.00 0.00 H new ATOM 0 HB2 PRO A 8 48.203 2.176 -2.599 1.00 0.00 H new ATOM 0 HB3 PRO A 8 46.892 1.377 -3.442 1.00 0.00 H new ATOM 0 HG2 PRO A 8 47.050 1.954 -0.625 1.00 0.00 H new ATOM 0 HG3 PRO A 8 45.759 1.113 -1.461 1.00 0.00 H new ATOM 0 HD2 PRO A 8 47.758 -0.036 0.335 1.00 0.00 H new ATOM 0 HD3 PRO A 8 46.415 -0.860 -0.431 1.00 0.00 H new ATOM 139 N SER A 9 50.515 0.564 -4.040 1.00 0.00 N ATOM 140 CA SER A 9 51.958 0.933 -4.154 1.00 0.00 C ATOM 141 C SER A 9 52.204 2.310 -3.544 1.00 0.00 C ATOM 142 O SER A 9 53.267 2.598 -3.028 1.00 0.00 O ATOM 143 CB SER A 9 52.231 0.990 -5.654 1.00 0.00 C ATOM 144 OG SER A 9 51.417 1.999 -6.238 1.00 0.00 O ATOM 0 H SER A 9 50.029 0.443 -4.928 1.00 0.00 H new ATOM 0 HA SER A 9 52.600 0.222 -3.634 1.00 0.00 H new ATOM 0 HB2 SER A 9 53.284 1.204 -5.836 1.00 0.00 H new ATOM 0 HB3 SER A 9 52.018 0.024 -6.112 1.00 0.00 H new ATOM 0 HG SER A 9 51.590 2.041 -7.202 1.00 0.00 H new ATOM 150 N THR A 10 51.229 3.168 -3.627 1.00 0.00 N ATOM 151 CA THR A 10 51.388 4.539 -3.083 1.00 0.00 C ATOM 152 C THR A 10 51.499 4.509 -1.555 1.00 0.00 C ATOM 153 O THR A 10 52.214 5.291 -0.962 1.00 0.00 O ATOM 154 CB THR A 10 50.133 5.289 -3.532 1.00 0.00 C ATOM 155 OG1 THR A 10 50.056 5.274 -4.952 1.00 0.00 O ATOM 156 CG2 THR A 10 50.196 6.735 -3.040 1.00 0.00 C ATOM 0 H THR A 10 50.322 2.975 -4.052 1.00 0.00 H new ATOM 0 HA THR A 10 52.298 5.021 -3.441 1.00 0.00 H new ATOM 0 HB THR A 10 49.251 4.803 -3.114 1.00 0.00 H new ATOM 0 HG1 THR A 10 49.251 5.753 -5.241 1.00 0.00 H new ATOM 0 HG21 THR A 10 49.301 7.268 -3.361 1.00 0.00 H new ATOM 0 HG22 THR A 10 50.255 6.747 -1.952 1.00 0.00 H new ATOM 0 HG23 THR A 10 51.077 7.223 -3.456 1.00 0.00 H new ATOM 164 N GLU A 11 50.792 3.624 -0.910 1.00 0.00 N ATOM 165 CA GLU A 11 50.870 3.559 0.577 1.00 0.00 C ATOM 166 C GLU A 11 52.314 3.276 1.006 1.00 0.00 C ATOM 167 O GLU A 11 52.808 3.840 1.963 1.00 0.00 O ATOM 168 CB GLU A 11 49.932 2.416 0.976 1.00 0.00 C ATOM 169 CG GLU A 11 49.785 2.369 2.501 1.00 0.00 C ATOM 170 CD GLU A 11 49.182 3.686 3.003 1.00 0.00 C ATOM 171 OE1 GLU A 11 48.088 4.018 2.576 1.00 0.00 O ATOM 172 OE2 GLU A 11 49.824 4.338 3.811 1.00 0.00 O ATOM 0 H GLU A 11 50.166 2.946 -1.345 1.00 0.00 H new ATOM 0 HA GLU A 11 50.578 4.493 1.058 1.00 0.00 H new ATOM 0 HB2 GLU A 11 48.956 2.557 0.512 1.00 0.00 H new ATOM 0 HB3 GLU A 11 50.325 1.467 0.611 1.00 0.00 H new ATOM 0 HG2 GLU A 11 49.148 1.533 2.789 1.00 0.00 H new ATOM 0 HG3 GLU A 11 50.757 2.203 2.965 1.00 0.00 H new ATOM 179 N ASP A 12 52.997 2.416 0.296 1.00 0.00 N ATOM 180 CA ASP A 12 54.412 2.109 0.655 1.00 0.00 C ATOM 181 C ASP A 12 55.355 3.034 -0.120 1.00 0.00 C ATOM 182 O ASP A 12 55.391 3.012 -1.334 1.00 0.00 O ATOM 183 CB ASP A 12 54.627 0.664 0.205 1.00 0.00 C ATOM 184 CG ASP A 12 55.949 0.139 0.772 1.00 0.00 C ATOM 185 OD1 ASP A 12 56.093 0.138 1.983 1.00 0.00 O ATOM 186 OD2 ASP A 12 56.795 -0.257 -0.014 1.00 0.00 O ATOM 0 H ASP A 12 52.636 1.914 -0.515 1.00 0.00 H new ATOM 0 HA ASP A 12 54.608 2.247 1.718 1.00 0.00 H new ATOM 0 HB2 ASP A 12 53.801 0.040 0.545 1.00 0.00 H new ATOM 0 HB3 ASP A 12 54.640 0.610 -0.884 1.00 0.00 H new ATOM 191 N LEU A 13 56.130 3.838 0.556 1.00 0.00 N ATOM 192 CA LEU A 13 57.069 4.733 -0.177 1.00 0.00 C ATOM 193 C LEU A 13 58.110 3.899 -0.912 1.00 0.00 C ATOM 194 O LEU A 13 58.510 4.218 -2.012 1.00 0.00 O ATOM 195 CB LEU A 13 57.742 5.593 0.884 1.00 0.00 C ATOM 196 CG LEU A 13 56.751 6.620 1.422 1.00 0.00 C ATOM 197 CD1 LEU A 13 57.352 7.301 2.648 1.00 0.00 C ATOM 198 CD2 LEU A 13 56.481 7.670 0.340 1.00 0.00 C ATOM 0 H LEU A 13 56.154 3.914 1.573 1.00 0.00 H new ATOM 0 HA LEU A 13 56.551 5.344 -0.916 1.00 0.00 H new ATOM 0 HB2 LEU A 13 58.106 4.965 1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 13 58.609 6.099 0.459 1.00 0.00 H new ATOM 0 HG LEU A 13 55.818 6.127 1.697 1.00 0.00 H new ATOM 0 HD11 LEU A 13 56.648 8.037 3.037 1.00 0.00 H new ATOM 0 HD12 LEU A 13 57.558 6.554 3.415 1.00 0.00 H new ATOM 0 HD13 LEU A 13 58.280 7.799 2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 13 55.773 8.408 0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 13 57.414 8.166 0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 13 56.063 7.185 -0.542 1.00 0.00 H new ATOM 210 N GLY A 14 58.552 2.834 -0.306 1.00 0.00 N ATOM 211 CA GLY A 14 59.569 1.974 -0.964 1.00 0.00 C ATOM 212 C GLY A 14 60.952 2.621 -0.863 1.00 0.00 C ATOM 213 O GLY A 14 61.202 3.476 -0.034 1.00 0.00 O ATOM 0 H GLY A 14 58.252 2.523 0.618 1.00 0.00 H new ATOM 0 HA2 GLY A 14 59.584 0.991 -0.494 1.00 0.00 H new ATOM 0 HA3 GLY A 14 59.306 1.823 -2.011 1.00 0.00 H new ATOM 217 N ASP A 15 61.849 2.205 -1.708 1.00 0.00 N ATOM 218 CA ASP A 15 63.227 2.766 -1.694 1.00 0.00 C ATOM 219 C ASP A 15 63.497 3.520 -2.998 1.00 0.00 C ATOM 220 O ASP A 15 63.452 2.953 -4.072 1.00 0.00 O ATOM 221 CB ASP A 15 64.129 1.536 -1.588 1.00 0.00 C ATOM 222 CG ASP A 15 65.591 1.966 -1.470 1.00 0.00 C ATOM 223 OD1 ASP A 15 65.844 3.160 -1.488 1.00 0.00 O ATOM 224 OD2 ASP A 15 66.434 1.091 -1.363 1.00 0.00 O ATOM 0 H ASP A 15 61.685 1.491 -2.417 1.00 0.00 H new ATOM 0 HA ASP A 15 63.391 3.473 -0.881 1.00 0.00 H new ATOM 0 HB2 ASP A 15 63.846 0.941 -0.720 1.00 0.00 H new ATOM 0 HB3 ASP A 15 63.998 0.902 -2.465 1.00 0.00 H new ATOM 229 N LYS A 16 63.779 4.790 -2.921 1.00 0.00 N ATOM 230 CA LYS A 16 64.050 5.553 -4.167 1.00 0.00 C ATOM 231 C LYS A 16 65.529 5.421 -4.523 1.00 0.00 C ATOM 232 O LYS A 16 66.399 5.758 -3.743 1.00 0.00 O ATOM 233 CB LYS A 16 63.695 7.000 -3.828 1.00 0.00 C ATOM 234 CG LYS A 16 62.234 7.069 -3.379 1.00 0.00 C ATOM 235 CD LYS A 16 61.315 6.681 -4.540 1.00 0.00 C ATOM 236 CE LYS A 16 60.669 7.942 -5.113 1.00 0.00 C ATOM 237 NZ LYS A 16 59.787 8.448 -4.024 1.00 0.00 N ATOM 0 H LYS A 16 63.833 5.328 -2.056 1.00 0.00 H new ATOM 0 HA LYS A 16 63.477 5.194 -5.022 1.00 0.00 H new ATOM 0 HB2 LYS A 16 64.348 7.372 -3.039 1.00 0.00 H new ATOM 0 HB3 LYS A 16 63.851 7.638 -4.698 1.00 0.00 H new ATOM 0 HG2 LYS A 16 62.071 6.399 -2.535 1.00 0.00 H new ATOM 0 HG3 LYS A 16 61.997 8.076 -3.036 1.00 0.00 H new ATOM 0 HD2 LYS A 16 61.884 6.166 -5.314 1.00 0.00 H new ATOM 0 HD3 LYS A 16 60.547 5.989 -4.196 1.00 0.00 H new ATOM 0 HE2 LYS A 16 61.421 8.681 -5.388 1.00 0.00 H new ATOM 0 HE3 LYS A 16 60.097 7.719 -6.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 58.909 8.824 -4.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 59.559 7.670 -3.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 60.277 9.203 -3.503 1.00 0.00 H new ATOM 251 N LYS A 17 65.825 4.915 -5.686 1.00 0.00 N ATOM 252 CA LYS A 17 67.250 4.745 -6.071 1.00 0.00 C ATOM 253 C LYS A 17 67.585 5.537 -7.333 1.00 0.00 C ATOM 254 O LYS A 17 66.990 5.356 -8.377 1.00 0.00 O ATOM 255 CB LYS A 17 67.396 3.247 -6.321 1.00 0.00 C ATOM 256 CG LYS A 17 68.849 2.918 -6.634 1.00 0.00 C ATOM 257 CD LYS A 17 69.167 1.525 -6.099 1.00 0.00 C ATOM 258 CE LYS A 17 68.182 0.522 -6.696 1.00 0.00 C ATOM 259 NZ LYS A 17 68.881 -0.032 -7.884 1.00 0.00 N ATOM 0 H LYS A 17 65.144 4.613 -6.383 1.00 0.00 H new ATOM 0 HA LYS A 17 67.928 5.112 -5.301 1.00 0.00 H new ATOM 0 HB2 LYS A 17 67.067 2.689 -5.444 1.00 0.00 H new ATOM 0 HB3 LYS A 17 66.757 2.943 -7.150 1.00 0.00 H new ATOM 0 HG2 LYS A 17 69.021 2.957 -7.710 1.00 0.00 H new ATOM 0 HG3 LYS A 17 69.509 3.656 -6.179 1.00 0.00 H new ATOM 0 HD2 LYS A 17 70.189 1.247 -6.357 1.00 0.00 H new ATOM 0 HD3 LYS A 17 69.100 1.516 -5.011 1.00 0.00 H new ATOM 0 HE2 LYS A 17 67.934 -0.263 -5.981 1.00 0.00 H new ATOM 0 HE3 LYS A 17 67.246 1.005 -6.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 68.269 -0.731 -8.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 69.099 0.738 -8.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 69.765 -0.491 -7.584 1.00 0.00 H new ATOM 273 N GLU A 18 68.558 6.400 -7.241 1.00 0.00 N ATOM 274 CA GLU A 18 68.973 7.202 -8.423 1.00 0.00 C ATOM 275 C GLU A 18 69.559 6.274 -9.492 1.00 0.00 C ATOM 276 O GLU A 18 69.502 6.547 -10.675 1.00 0.00 O ATOM 277 CB GLU A 18 70.017 8.179 -7.874 1.00 0.00 C ATOM 278 CG GLU A 18 69.316 9.155 -6.922 1.00 0.00 C ATOM 279 CD GLU A 18 69.473 10.588 -7.433 1.00 0.00 C ATOM 280 OE1 GLU A 18 70.126 10.767 -8.447 1.00 0.00 O ATOM 281 OE2 GLU A 18 68.934 11.482 -6.801 1.00 0.00 O ATOM 0 H GLU A 18 69.088 6.585 -6.389 1.00 0.00 H new ATOM 0 HA GLU A 18 68.150 7.734 -8.900 1.00 0.00 H new ATOM 0 HB2 GLU A 18 70.804 7.637 -7.349 1.00 0.00 H new ATOM 0 HB3 GLU A 18 70.494 8.722 -8.690 1.00 0.00 H new ATOM 0 HG2 GLU A 18 68.259 8.902 -6.843 1.00 0.00 H new ATOM 0 HG3 GLU A 18 69.740 9.068 -5.922 1.00 0.00 H new ATOM 288 N GLY A 19 70.111 5.170 -9.072 1.00 0.00 N ATOM 289 CA GLY A 19 70.693 4.194 -10.034 1.00 0.00 C ATOM 290 C GLY A 19 71.325 3.051 -9.238 1.00 0.00 C ATOM 291 O GLY A 19 71.013 2.845 -8.083 1.00 0.00 O ATOM 0 H GLY A 19 70.184 4.900 -8.091 1.00 0.00 H new ATOM 0 HA2 GLY A 19 69.920 3.811 -10.700 1.00 0.00 H new ATOM 0 HA3 GLY A 19 71.441 4.679 -10.661 1.00 0.00 H new ATOM 295 N GLU A 20 72.221 2.312 -9.828 1.00 0.00 N ATOM 296 CA GLU A 20 72.868 1.202 -9.071 1.00 0.00 C ATOM 297 C GLU A 20 74.118 1.729 -8.366 1.00 0.00 C ATOM 298 O GLU A 20 74.962 0.969 -7.939 1.00 0.00 O ATOM 299 CB GLU A 20 73.258 0.153 -10.114 1.00 0.00 C ATOM 300 CG GLU A 20 74.432 0.667 -10.949 1.00 0.00 C ATOM 301 CD GLU A 20 74.409 -0.011 -12.317 1.00 0.00 C ATOM 302 OE1 GLU A 20 73.322 -0.233 -12.822 1.00 0.00 O ATOM 303 OE2 GLU A 20 75.475 -0.300 -12.833 1.00 0.00 O ATOM 0 H GLU A 20 72.532 2.425 -10.793 1.00 0.00 H new ATOM 0 HA GLU A 20 72.205 0.783 -8.314 1.00 0.00 H new ATOM 0 HB2 GLU A 20 73.531 -0.780 -9.621 1.00 0.00 H new ATOM 0 HB3 GLU A 20 72.408 -0.065 -10.760 1.00 0.00 H new ATOM 0 HG2 GLU A 20 74.366 1.749 -11.065 1.00 0.00 H new ATOM 0 HG3 GLU A 20 75.374 0.458 -10.442 1.00 0.00 H new ATOM 310 N TYR A 21 74.256 3.026 -8.263 1.00 0.00 N ATOM 311 CA TYR A 21 75.471 3.586 -7.605 1.00 0.00 C ATOM 312 C TYR A 21 75.134 4.234 -6.254 1.00 0.00 C ATOM 313 O TYR A 21 74.138 4.915 -6.105 1.00 0.00 O ATOM 314 CB TYR A 21 76.008 4.651 -8.566 1.00 0.00 C ATOM 315 CG TYR A 21 76.494 4.015 -9.856 1.00 0.00 C ATOM 316 CD1 TYR A 21 77.227 2.817 -9.834 1.00 0.00 C ATOM 317 CD2 TYR A 21 76.208 4.633 -11.080 1.00 0.00 C ATOM 318 CE1 TYR A 21 77.670 2.242 -11.038 1.00 0.00 C ATOM 319 CE2 TYR A 21 76.649 4.059 -12.280 1.00 0.00 C ATOM 320 CZ TYR A 21 77.379 2.864 -12.261 1.00 0.00 C ATOM 321 OH TYR A 21 77.806 2.297 -13.447 1.00 0.00 O ATOM 0 H TYR A 21 73.585 3.715 -8.603 1.00 0.00 H new ATOM 0 HA TYR A 21 76.197 2.798 -7.404 1.00 0.00 H new ATOM 0 HB2 TYR A 21 75.226 5.377 -8.785 1.00 0.00 H new ATOM 0 HB3 TYR A 21 76.825 5.196 -8.093 1.00 0.00 H new ATOM 0 HD1 TYR A 21 77.450 2.338 -8.892 1.00 0.00 H new ATOM 0 HD2 TYR A 21 75.646 5.555 -11.099 1.00 0.00 H new ATOM 0 HE1 TYR A 21 78.234 1.321 -11.021 1.00 0.00 H new ATOM 0 HE2 TYR A 21 76.425 4.539 -13.221 1.00 0.00 H new ATOM 0 HH TYR A 21 77.519 2.856 -14.199 1.00 0.00 H new ATOM 331 N ILE A 22 75.983 4.048 -5.279 1.00 0.00 N ATOM 332 CA ILE A 22 75.758 4.664 -3.936 1.00 0.00 C ATOM 333 C ILE A 22 76.757 5.791 -3.740 1.00 0.00 C ATOM 334 O ILE A 22 77.731 5.866 -4.447 1.00 0.00 O ATOM 335 CB ILE A 22 76.079 3.559 -2.919 1.00 0.00 C ATOM 336 CG1 ILE A 22 77.600 3.216 -3.008 1.00 0.00 C ATOM 337 CG2 ILE A 22 75.209 2.322 -3.199 1.00 0.00 C ATOM 338 CD1 ILE A 22 77.836 1.959 -3.844 1.00 0.00 C ATOM 0 H ILE A 22 76.833 3.489 -5.355 1.00 0.00 H new ATOM 0 HA ILE A 22 74.745 5.052 -3.829 1.00 0.00 H new ATOM 0 HB ILE A 22 75.856 3.900 -1.908 1.00 0.00 H new ATOM 0 HG12 ILE A 22 78.139 4.055 -3.448 1.00 0.00 H new ATOM 0 HG13 ILE A 22 78.002 3.070 -2.005 1.00 0.00 H new ATOM 0 HG21 ILE A 22 75.442 1.542 -2.474 1.00 0.00 H new ATOM 0 HG22 ILE A 22 74.156 2.592 -3.117 1.00 0.00 H new ATOM 0 HG23 ILE A 22 75.412 1.955 -4.205 1.00 0.00 H new ATOM 0 HD11 ILE A 22 78.904 1.746 -3.887 1.00 0.00 H new ATOM 0 HD12 ILE A 22 77.316 1.116 -3.388 1.00 0.00 H new ATOM 0 HD13 ILE A 22 77.456 2.117 -4.853 1.00 0.00 H new ATOM 350 N LYS A 23 76.595 6.605 -2.742 1.00 0.00 N ATOM 351 CA LYS A 23 77.640 7.630 -2.499 1.00 0.00 C ATOM 352 C LYS A 23 78.583 7.012 -1.482 1.00 0.00 C ATOM 353 O LYS A 23 78.370 7.094 -0.289 1.00 0.00 O ATOM 354 CB LYS A 23 76.939 8.858 -1.929 1.00 0.00 C ATOM 355 CG LYS A 23 77.927 10.025 -1.904 1.00 0.00 C ATOM 356 CD LYS A 23 77.263 11.256 -1.291 1.00 0.00 C ATOM 357 CE LYS A 23 75.987 11.596 -2.059 1.00 0.00 C ATOM 358 NZ LYS A 23 75.408 12.740 -1.306 1.00 0.00 N ATOM 0 H LYS A 23 75.805 6.608 -2.097 1.00 0.00 H new ATOM 0 HA LYS A 23 78.191 7.927 -3.392 1.00 0.00 H new ATOM 0 HB2 LYS A 23 76.071 9.112 -2.537 1.00 0.00 H new ATOM 0 HB3 LYS A 23 76.575 8.651 -0.923 1.00 0.00 H new ATOM 0 HG2 LYS A 23 78.810 9.752 -1.327 1.00 0.00 H new ATOM 0 HG3 LYS A 23 78.264 10.249 -2.916 1.00 0.00 H new ATOM 0 HD2 LYS A 23 77.028 11.069 -0.243 1.00 0.00 H new ATOM 0 HD3 LYS A 23 77.950 12.102 -1.318 1.00 0.00 H new ATOM 0 HE2 LYS A 23 76.203 11.867 -3.092 1.00 0.00 H new ATOM 0 HE3 LYS A 23 75.301 10.749 -2.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 74.524 13.044 -1.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 75.210 12.447 -0.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 76.084 13.530 -1.301 1.00 0.00 H new ATOM 372 N LEU A 24 79.601 6.345 -1.942 1.00 0.00 N ATOM 373 CA LEU A 24 80.508 5.677 -0.995 1.00 0.00 C ATOM 374 C LEU A 24 81.812 6.451 -0.899 1.00 0.00 C ATOM 375 O LEU A 24 82.459 6.741 -1.888 1.00 0.00 O ATOM 376 CB LEU A 24 80.707 4.267 -1.581 1.00 0.00 C ATOM 377 CG LEU A 24 81.458 3.331 -0.620 1.00 0.00 C ATOM 378 CD1 LEU A 24 81.370 3.813 0.825 1.00 0.00 C ATOM 379 CD2 LEU A 24 80.832 1.939 -0.720 1.00 0.00 C ATOM 0 H LEU A 24 79.837 6.238 -2.928 1.00 0.00 H new ATOM 0 HA LEU A 24 80.116 5.627 0.021 1.00 0.00 H new ATOM 0 HB2 LEU A 24 79.735 3.835 -1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 24 81.260 4.341 -2.517 1.00 0.00 H new ATOM 0 HG LEU A 24 82.511 3.315 -0.903 1.00 0.00 H new ATOM 0 HD11 LEU A 24 81.913 3.124 1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 24 81.809 4.808 0.904 1.00 0.00 H new ATOM 0 HD13 LEU A 24 80.325 3.852 1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 24 81.350 1.258 -0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 24 79.779 1.993 -0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 24 80.920 1.573 -1.743 1.00 0.00 H new ATOM 391 N LYS A 25 82.187 6.806 0.289 1.00 0.00 N ATOM 392 CA LYS A 25 83.438 7.578 0.460 1.00 0.00 C ATOM 393 C LYS A 25 84.351 6.879 1.478 1.00 0.00 C ATOM 394 O LYS A 25 83.935 6.538 2.568 1.00 0.00 O ATOM 395 CB LYS A 25 82.967 8.935 0.985 1.00 0.00 C ATOM 396 CG LYS A 25 82.292 8.729 2.342 1.00 0.00 C ATOM 397 CD LYS A 25 81.776 10.062 2.886 1.00 0.00 C ATOM 398 CE LYS A 25 80.577 10.532 2.062 1.00 0.00 C ATOM 399 NZ LYS A 25 80.194 11.834 2.678 1.00 0.00 N ATOM 0 H LYS A 25 81.682 6.595 1.150 1.00 0.00 H new ATOM 0 HA LYS A 25 84.015 7.670 -0.460 1.00 0.00 H new ATOM 0 HB2 LYS A 25 83.812 9.616 1.083 1.00 0.00 H new ATOM 0 HB3 LYS A 25 82.270 9.391 0.282 1.00 0.00 H new ATOM 0 HG2 LYS A 25 81.466 8.025 2.242 1.00 0.00 H new ATOM 0 HG3 LYS A 25 83.000 8.291 3.045 1.00 0.00 H new ATOM 0 HD2 LYS A 25 81.489 9.951 3.932 1.00 0.00 H new ATOM 0 HD3 LYS A 25 82.568 10.810 2.851 1.00 0.00 H new ATOM 0 HE2 LYS A 25 80.839 10.651 1.011 1.00 0.00 H new ATOM 0 HE3 LYS A 25 79.758 9.814 2.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 79.376 12.230 2.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 79.946 11.686 3.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 80.993 12.496 2.615 1.00 0.00 H new ATOM 413 N VAL A 26 85.594 6.671 1.140 1.00 0.00 N ATOM 414 CA VAL A 26 86.527 6.009 2.105 1.00 0.00 C ATOM 415 C VAL A 26 87.726 6.924 2.360 1.00 0.00 C ATOM 416 O VAL A 26 88.285 7.482 1.441 1.00 0.00 O ATOM 417 CB VAL A 26 87.001 4.721 1.427 1.00 0.00 C ATOM 418 CG1 VAL A 26 85.806 3.951 0.867 1.00 0.00 C ATOM 419 CG2 VAL A 26 87.979 5.066 0.301 1.00 0.00 C ATOM 0 H VAL A 26 86.006 6.928 0.243 1.00 0.00 H new ATOM 0 HA VAL A 26 86.040 5.803 3.058 1.00 0.00 H new ATOM 0 HB VAL A 26 87.506 4.094 2.162 1.00 0.00 H new ATOM 0 HG11 VAL A 26 86.155 3.037 0.387 1.00 0.00 H new ATOM 0 HG12 VAL A 26 85.124 3.697 1.679 1.00 0.00 H new ATOM 0 HG13 VAL A 26 85.285 4.569 0.135 1.00 0.00 H new ATOM 0 HG21 VAL A 26 88.316 4.149 -0.182 1.00 0.00 H new ATOM 0 HG22 VAL A 26 87.481 5.700 -0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 26 88.837 5.595 0.714 1.00 0.00 H new ATOM 429 N ILE A 27 88.136 7.088 3.585 1.00 0.00 N ATOM 430 CA ILE A 27 89.304 7.978 3.832 1.00 0.00 C ATOM 431 C ILE A 27 90.404 7.230 4.593 1.00 0.00 C ATOM 432 O ILE A 27 90.147 6.263 5.282 1.00 0.00 O ATOM 433 CB ILE A 27 88.739 9.133 4.643 1.00 0.00 C ATOM 434 CG1 ILE A 27 88.196 8.605 5.966 1.00 0.00 C ATOM 435 CG2 ILE A 27 87.598 9.780 3.855 1.00 0.00 C ATOM 436 CD1 ILE A 27 87.903 9.781 6.896 1.00 0.00 C ATOM 0 H ILE A 27 87.724 6.655 4.411 1.00 0.00 H new ATOM 0 HA ILE A 27 89.771 8.326 2.911 1.00 0.00 H new ATOM 0 HB ILE A 27 89.522 9.866 4.837 1.00 0.00 H new ATOM 0 HG12 ILE A 27 87.288 8.027 5.795 1.00 0.00 H new ATOM 0 HG13 ILE A 27 88.920 7.933 6.427 1.00 0.00 H new ATOM 0 HG21 ILE A 27 87.185 10.610 4.428 1.00 0.00 H new ATOM 0 HG22 ILE A 27 87.978 10.150 2.902 1.00 0.00 H new ATOM 0 HG23 ILE A 27 86.817 9.042 3.672 1.00 0.00 H new ATOM 0 HD11 ILE A 27 87.514 9.408 7.843 1.00 0.00 H new ATOM 0 HD12 ILE A 27 88.821 10.340 7.076 1.00 0.00 H new ATOM 0 HD13 ILE A 27 87.164 10.435 6.433 1.00 0.00 H new ATOM 448 N GLY A 28 91.636 7.656 4.452 1.00 0.00 N ATOM 449 CA GLY A 28 92.753 6.946 5.147 1.00 0.00 C ATOM 450 C GLY A 28 93.396 7.832 6.225 1.00 0.00 C ATOM 451 O GLY A 28 93.406 9.043 6.128 1.00 0.00 O ATOM 0 H GLY A 28 91.914 8.460 3.889 1.00 0.00 H new ATOM 0 HA2 GLY A 28 92.376 6.031 5.603 1.00 0.00 H new ATOM 0 HA3 GLY A 28 93.508 6.651 4.418 1.00 0.00 H new ATOM 455 N GLN A 29 93.935 7.215 7.252 1.00 0.00 N ATOM 456 CA GLN A 29 94.593 7.978 8.366 1.00 0.00 C ATOM 457 C GLN A 29 95.628 8.959 7.818 1.00 0.00 C ATOM 458 O GLN A 29 95.986 9.922 8.467 1.00 0.00 O ATOM 459 CB GLN A 29 95.264 6.919 9.252 1.00 0.00 C ATOM 460 CG GLN A 29 95.805 7.587 10.526 1.00 0.00 C ATOM 461 CD GLN A 29 96.476 6.547 11.435 1.00 0.00 C ATOM 462 OE1 GLN A 29 95.821 5.680 11.983 1.00 0.00 O ATOM 463 NE2 GLN A 29 97.767 6.605 11.624 1.00 0.00 N ATOM 0 H GLN A 29 93.947 6.202 7.368 1.00 0.00 H new ATOM 0 HA GLN A 29 93.870 8.572 8.925 1.00 0.00 H new ATOM 0 HB2 GLN A 29 94.547 6.140 9.513 1.00 0.00 H new ATOM 0 HB3 GLN A 29 96.076 6.436 8.709 1.00 0.00 H new ATOM 0 HG2 GLN A 29 96.523 8.363 10.260 1.00 0.00 H new ATOM 0 HG3 GLN A 29 94.991 8.075 11.061 1.00 0.00 H new ATOM 0 HE21 GLN A 29 98.317 7.331 11.165 1.00 0.00 H new ATOM 0 HE22 GLN A 29 98.225 5.924 12.230 1.00 0.00 H new ATOM 472 N ASP A 30 96.094 8.744 6.620 1.00 0.00 N ATOM 473 CA ASP A 30 97.084 9.687 6.021 1.00 0.00 C ATOM 474 C ASP A 30 96.375 10.963 5.541 1.00 0.00 C ATOM 475 O ASP A 30 96.875 11.677 4.696 1.00 0.00 O ATOM 476 CB ASP A 30 97.698 8.931 4.843 1.00 0.00 C ATOM 477 CG ASP A 30 96.618 8.614 3.806 1.00 0.00 C ATOM 478 OD1 ASP A 30 95.534 9.162 3.918 1.00 0.00 O ATOM 479 OD2 ASP A 30 96.894 7.823 2.919 1.00 0.00 O ATOM 0 H ASP A 30 95.833 7.956 6.028 1.00 0.00 H new ATOM 0 HA ASP A 30 97.844 9.998 6.738 1.00 0.00 H new ATOM 0 HB2 ASP A 30 98.487 9.529 4.387 1.00 0.00 H new ATOM 0 HB3 ASP A 30 98.160 8.008 5.193 1.00 0.00 H new ATOM 484 N SER A 31 95.207 11.239 6.071 1.00 0.00 N ATOM 485 CA SER A 31 94.449 12.446 5.661 1.00 0.00 C ATOM 486 C SER A 31 94.108 12.379 4.176 1.00 0.00 C ATOM 487 O SER A 31 94.224 13.348 3.453 1.00 0.00 O ATOM 488 CB SER A 31 95.364 13.629 5.970 1.00 0.00 C ATOM 489 OG SER A 31 95.604 13.697 7.372 1.00 0.00 O ATOM 0 H SER A 31 94.747 10.667 6.779 1.00 0.00 H new ATOM 0 HA SER A 31 93.500 12.535 6.190 1.00 0.00 H new ATOM 0 HB2 SER A 31 96.307 13.521 5.435 1.00 0.00 H new ATOM 0 HB3 SER A 31 94.906 14.556 5.624 1.00 0.00 H new ATOM 0 HG SER A 31 96.193 14.456 7.567 1.00 0.00 H new ATOM 495 N SER A 32 93.659 11.241 3.727 1.00 0.00 N ATOM 496 CA SER A 32 93.266 11.103 2.298 1.00 0.00 C ATOM 497 C SER A 32 91.741 11.027 2.225 1.00 0.00 C ATOM 498 O SER A 32 91.107 10.326 2.989 1.00 0.00 O ATOM 499 CB SER A 32 93.933 9.818 1.801 1.00 0.00 C ATOM 500 OG SER A 32 95.331 10.050 1.669 1.00 0.00 O ATOM 0 H SER A 32 93.547 10.398 4.290 1.00 0.00 H new ATOM 0 HA SER A 32 93.580 11.943 1.678 1.00 0.00 H new ATOM 0 HB2 SER A 32 93.750 9.002 2.501 1.00 0.00 H new ATOM 0 HB3 SER A 32 93.508 9.518 0.843 1.00 0.00 H new ATOM 0 HG SER A 32 95.706 10.292 2.541 1.00 0.00 H new ATOM 506 N GLU A 33 91.141 11.785 1.353 1.00 0.00 N ATOM 507 CA GLU A 33 89.654 11.791 1.281 1.00 0.00 C ATOM 508 C GLU A 33 89.135 11.319 -0.082 1.00 0.00 C ATOM 509 O GLU A 33 89.522 11.819 -1.119 1.00 0.00 O ATOM 510 CB GLU A 33 89.284 13.250 1.535 1.00 0.00 C ATOM 511 CG GLU A 33 87.773 13.392 1.471 1.00 0.00 C ATOM 512 CD GLU A 33 87.354 14.780 1.965 1.00 0.00 C ATOM 513 OE1 GLU A 33 87.958 15.257 2.912 1.00 0.00 O ATOM 514 OE2 GLU A 33 86.435 15.339 1.390 1.00 0.00 O ATOM 0 H GLU A 33 91.613 12.399 0.689 1.00 0.00 H new ATOM 0 HA GLU A 33 89.208 11.104 2.000 1.00 0.00 H new ATOM 0 HB2 GLU A 33 89.652 13.568 2.511 1.00 0.00 H new ATOM 0 HB3 GLU A 33 89.755 13.893 0.792 1.00 0.00 H new ATOM 0 HG2 GLU A 33 87.429 13.242 0.448 1.00 0.00 H new ATOM 0 HG3 GLU A 33 87.301 12.622 2.082 1.00 0.00 H new ATOM 521 N ILE A 34 88.252 10.349 -0.081 1.00 0.00 N ATOM 522 CA ILE A 34 87.708 9.837 -1.375 1.00 0.00 C ATOM 523 C ILE A 34 86.182 9.840 -1.382 1.00 0.00 C ATOM 524 O ILE A 34 85.556 8.901 -0.937 1.00 0.00 O ATOM 525 CB ILE A 34 88.203 8.398 -1.456 1.00 0.00 C ATOM 526 CG1 ILE A 34 89.691 8.363 -1.136 1.00 0.00 C ATOM 527 CG2 ILE A 34 87.970 7.855 -2.869 1.00 0.00 C ATOM 528 CD1 ILE A 34 90.423 9.414 -1.973 1.00 0.00 C ATOM 0 H ILE A 34 87.887 9.893 0.755 1.00 0.00 H new ATOM 0 HA ILE A 34 88.030 10.457 -2.211 1.00 0.00 H new ATOM 0 HB ILE A 34 87.659 7.782 -0.740 1.00 0.00 H new ATOM 0 HG12 ILE A 34 89.849 8.555 -0.075 1.00 0.00 H new ATOM 0 HG13 ILE A 34 90.095 7.372 -1.345 1.00 0.00 H new ATOM 0 HG21 ILE A 34 88.324 6.826 -2.926 1.00 0.00 H new ATOM 0 HG22 ILE A 34 86.905 7.886 -3.100 1.00 0.00 H new ATOM 0 HG23 ILE A 34 88.515 8.467 -3.588 1.00 0.00 H new ATOM 0 HD11 ILE A 34 91.488 9.386 -1.742 1.00 0.00 H new ATOM 0 HD12 ILE A 34 90.276 9.202 -3.032 1.00 0.00 H new ATOM 0 HD13 ILE A 34 90.027 10.403 -1.742 1.00 0.00 H new ATOM 540 N HIS A 35 85.572 10.858 -1.913 1.00 0.00 N ATOM 541 CA HIS A 35 84.085 10.864 -1.970 1.00 0.00 C ATOM 542 C HIS A 35 83.639 10.596 -3.408 1.00 0.00 C ATOM 543 O HIS A 35 83.903 11.373 -4.304 1.00 0.00 O ATOM 544 CB HIS A 35 83.675 12.268 -1.528 1.00 0.00 C ATOM 545 CG HIS A 35 84.138 12.498 -0.122 1.00 0.00 C ATOM 546 ND1 HIS A 35 83.526 11.900 0.968 1.00 0.00 N ATOM 547 CD2 HIS A 35 85.156 13.255 0.389 1.00 0.00 C ATOM 548 CE1 HIS A 35 84.183 12.305 2.070 1.00 0.00 C ATOM 549 NE2 HIS A 35 85.183 13.132 1.773 1.00 0.00 N ATOM 0 H HIS A 35 86.031 11.679 -2.307 1.00 0.00 H new ATOM 0 HA HIS A 35 83.632 10.101 -1.338 1.00 0.00 H new ATOM 0 HB2 HIS A 35 84.111 13.013 -2.193 1.00 0.00 H new ATOM 0 HB3 HIS A 35 82.593 12.380 -1.590 1.00 0.00 H new ATOM 0 HD1 HIS A 35 82.725 11.269 0.940 1.00 0.00 H new ATOM 0 HD2 HIS A 35 85.836 13.857 -0.195 1.00 0.00 H new ATOM 0 HE1 HIS A 35 83.930 11.997 3.074 1.00 0.00 H new ATOM 557 N PHE A 36 82.978 9.496 -3.635 1.00 0.00 N ATOM 558 CA PHE A 36 82.524 9.172 -5.018 1.00 0.00 C ATOM 559 C PHE A 36 81.438 8.090 -4.968 1.00 0.00 C ATOM 560 O PHE A 36 81.137 7.565 -3.916 1.00 0.00 O ATOM 561 CB PHE A 36 83.790 8.719 -5.745 1.00 0.00 C ATOM 562 CG PHE A 36 84.354 7.478 -5.100 1.00 0.00 C ATOM 563 CD1 PHE A 36 84.893 7.546 -3.810 1.00 0.00 C ATOM 564 CD2 PHE A 36 84.347 6.262 -5.792 1.00 0.00 C ATOM 565 CE1 PHE A 36 85.423 6.396 -3.210 1.00 0.00 C ATOM 566 CE2 PHE A 36 84.878 5.112 -5.193 1.00 0.00 C ATOM 567 CZ PHE A 36 85.415 5.179 -3.904 1.00 0.00 C ATOM 0 H PHE A 36 82.732 8.807 -2.924 1.00 0.00 H new ATOM 0 HA PHE A 36 82.068 10.014 -5.538 1.00 0.00 H new ATOM 0 HB2 PHE A 36 83.564 8.521 -6.793 1.00 0.00 H new ATOM 0 HB3 PHE A 36 84.533 9.516 -5.725 1.00 0.00 H new ATOM 0 HD1 PHE A 36 84.900 8.485 -3.277 1.00 0.00 H new ATOM 0 HD2 PHE A 36 83.932 6.210 -6.788 1.00 0.00 H new ATOM 0 HE1 PHE A 36 85.837 6.448 -2.214 1.00 0.00 H new ATOM 0 HE2 PHE A 36 84.872 4.173 -5.727 1.00 0.00 H new ATOM 0 HZ PHE A 36 85.824 4.292 -3.443 1.00 0.00 H new ATOM 577 N LYS A 37 80.812 7.775 -6.074 1.00 0.00 N ATOM 578 CA LYS A 37 79.723 6.753 -6.018 1.00 0.00 C ATOM 579 C LYS A 37 80.114 5.456 -6.719 1.00 0.00 C ATOM 580 O LYS A 37 80.684 5.453 -7.792 1.00 0.00 O ATOM 581 CB LYS A 37 78.540 7.393 -6.728 1.00 0.00 C ATOM 582 CG LYS A 37 78.120 8.655 -5.982 1.00 0.00 C ATOM 583 CD LYS A 37 77.052 9.377 -6.793 1.00 0.00 C ATOM 584 CE LYS A 37 75.810 8.492 -6.890 1.00 0.00 C ATOM 585 NZ LYS A 37 74.947 9.156 -7.900 1.00 0.00 N ATOM 0 H LYS A 37 81.002 8.171 -6.995 1.00 0.00 H new ATOM 0 HA LYS A 37 79.501 6.481 -4.986 1.00 0.00 H new ATOM 0 HB2 LYS A 37 78.808 7.638 -7.756 1.00 0.00 H new ATOM 0 HB3 LYS A 37 77.707 6.691 -6.774 1.00 0.00 H new ATOM 0 HG2 LYS A 37 77.734 8.399 -4.995 1.00 0.00 H new ATOM 0 HG3 LYS A 37 78.981 9.306 -5.829 1.00 0.00 H new ATOM 0 HD2 LYS A 37 76.800 10.327 -6.321 1.00 0.00 H new ATOM 0 HD3 LYS A 37 77.429 9.606 -7.790 1.00 0.00 H new ATOM 0 HE2 LYS A 37 76.070 7.479 -7.197 1.00 0.00 H new ATOM 0 HE3 LYS A 37 75.304 8.414 -5.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 74.072 8.607 -8.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 74.711 10.116 -7.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 75.453 9.210 -8.807 1.00 0.00 H new ATOM 599 N VAL A 38 79.791 4.350 -6.111 1.00 0.00 N ATOM 600 CA VAL A 38 80.125 3.034 -6.714 1.00 0.00 C ATOM 601 C VAL A 38 78.867 2.177 -6.787 1.00 0.00 C ATOM 602 O VAL A 38 77.810 2.586 -6.366 1.00 0.00 O ATOM 603 CB VAL A 38 81.107 2.399 -5.742 1.00 0.00 C ATOM 604 CG1 VAL A 38 81.722 1.159 -6.383 1.00 0.00 C ATOM 605 CG2 VAL A 38 82.211 3.393 -5.388 1.00 0.00 C ATOM 0 H VAL A 38 79.306 4.303 -5.215 1.00 0.00 H new ATOM 0 HA VAL A 38 80.533 3.129 -7.720 1.00 0.00 H new ATOM 0 HB VAL A 38 80.578 2.118 -4.831 1.00 0.00 H new ATOM 0 HG11 VAL A 38 82.427 0.702 -5.688 1.00 0.00 H new ATOM 0 HG12 VAL A 38 80.934 0.445 -6.623 1.00 0.00 H new ATOM 0 HG13 VAL A 38 82.245 1.443 -7.296 1.00 0.00 H new ATOM 0 HG21 VAL A 38 82.909 2.929 -4.691 1.00 0.00 H new ATOM 0 HG22 VAL A 38 82.742 3.684 -6.294 1.00 0.00 H new ATOM 0 HG23 VAL A 38 81.771 4.276 -4.926 1.00 0.00 H new ATOM 615 N LYS A 39 78.974 0.984 -7.294 1.00 0.00 N ATOM 616 CA LYS A 39 77.779 0.109 -7.365 1.00 0.00 C ATOM 617 C LYS A 39 77.803 -0.911 -6.224 1.00 0.00 C ATOM 618 O LYS A 39 78.839 -1.430 -5.855 1.00 0.00 O ATOM 619 CB LYS A 39 77.872 -0.579 -8.721 1.00 0.00 C ATOM 620 CG LYS A 39 79.179 -1.355 -8.796 1.00 0.00 C ATOM 621 CD LYS A 39 79.085 -2.401 -9.896 1.00 0.00 C ATOM 622 CE LYS A 39 80.370 -2.362 -10.714 1.00 0.00 C ATOM 623 NZ LYS A 39 80.223 -1.163 -11.587 1.00 0.00 N ATOM 0 H LYS A 39 79.835 0.579 -7.661 1.00 0.00 H new ATOM 0 HA LYS A 39 76.848 0.666 -7.263 1.00 0.00 H new ATOM 0 HB2 LYS A 39 77.026 -1.252 -8.860 1.00 0.00 H new ATOM 0 HB3 LYS A 39 77.826 0.159 -9.521 1.00 0.00 H new ATOM 0 HG2 LYS A 39 80.007 -0.675 -8.996 1.00 0.00 H new ATOM 0 HG3 LYS A 39 79.385 -1.835 -7.839 1.00 0.00 H new ATOM 0 HD2 LYS A 39 78.941 -3.392 -9.465 1.00 0.00 H new ATOM 0 HD3 LYS A 39 78.224 -2.203 -10.534 1.00 0.00 H new ATOM 0 HE2 LYS A 39 81.247 -2.280 -10.072 1.00 0.00 H new ATOM 0 HE3 LYS A 39 80.492 -3.270 -11.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 80.313 -1.446 -12.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 79.288 -0.734 -11.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 80.964 -0.472 -11.355 1.00 0.00 H new ATOM 637 N MET A 40 76.661 -1.195 -5.668 1.00 0.00 N ATOM 638 CA MET A 40 76.578 -2.169 -4.548 1.00 0.00 C ATOM 639 C MET A 40 75.693 -3.346 -4.938 1.00 0.00 C ATOM 640 O MET A 40 74.695 -3.633 -4.305 1.00 0.00 O ATOM 641 CB MET A 40 75.954 -1.393 -3.387 1.00 0.00 C ATOM 642 CG MET A 40 77.059 -0.883 -2.461 1.00 0.00 C ATOM 643 SD MET A 40 77.271 -2.050 -1.096 1.00 0.00 S ATOM 644 CE MET A 40 77.765 -3.462 -2.112 1.00 0.00 C ATOM 0 H MET A 40 75.768 -0.787 -5.947 1.00 0.00 H new ATOM 0 HA MET A 40 77.554 -2.577 -4.286 1.00 0.00 H new ATOM 0 HB2 MET A 40 75.369 -0.556 -3.768 1.00 0.00 H new ATOM 0 HB3 MET A 40 75.269 -2.035 -2.833 1.00 0.00 H new ATOM 0 HG2 MET A 40 77.993 -0.776 -3.013 1.00 0.00 H new ATOM 0 HG3 MET A 40 76.802 0.104 -2.076 1.00 0.00 H new ATOM 0 HE1 MET A 40 78.206 -4.231 -1.477 1.00 0.00 H new ATOM 0 HE2 MET A 40 76.890 -3.868 -2.620 1.00 0.00 H new ATOM 0 HE3 MET A 40 78.497 -3.139 -2.852 1.00 0.00 H new ATOM 654 N THR A 41 76.073 -4.042 -5.963 1.00 0.00 N ATOM 655 CA THR A 41 75.296 -5.223 -6.401 1.00 0.00 C ATOM 656 C THR A 41 76.029 -6.474 -5.912 1.00 0.00 C ATOM 657 O THR A 41 75.483 -7.557 -5.847 1.00 0.00 O ATOM 658 CB THR A 41 75.288 -5.124 -7.927 1.00 0.00 C ATOM 659 OG1 THR A 41 74.699 -3.889 -8.309 1.00 0.00 O ATOM 660 CG2 THR A 41 74.479 -6.275 -8.510 1.00 0.00 C ATOM 0 H THR A 41 76.901 -3.840 -6.524 1.00 0.00 H new ATOM 0 HA THR A 41 74.279 -5.269 -6.012 1.00 0.00 H new ATOM 0 HB THR A 41 76.310 -5.177 -8.303 1.00 0.00 H new ATOM 0 HG1 THR A 41 74.692 -3.818 -9.286 1.00 0.00 H new ATOM 0 HG21 THR A 41 74.475 -6.202 -9.598 1.00 0.00 H new ATOM 0 HG22 THR A 41 74.927 -7.223 -8.211 1.00 0.00 H new ATOM 0 HG23 THR A 41 73.455 -6.225 -8.139 1.00 0.00 H new ATOM 668 N THR A 42 77.275 -6.300 -5.547 1.00 0.00 N ATOM 669 CA THR A 42 78.099 -7.423 -5.031 1.00 0.00 C ATOM 670 C THR A 42 78.740 -6.975 -3.714 1.00 0.00 C ATOM 671 O THR A 42 78.513 -5.872 -3.257 1.00 0.00 O ATOM 672 CB THR A 42 79.184 -7.646 -6.084 1.00 0.00 C ATOM 673 OG1 THR A 42 80.121 -6.579 -6.027 1.00 0.00 O ATOM 674 CG2 THR A 42 78.553 -7.682 -7.476 1.00 0.00 C ATOM 0 H THR A 42 77.761 -5.404 -5.588 1.00 0.00 H new ATOM 0 HA THR A 42 77.522 -8.331 -4.853 1.00 0.00 H new ATOM 0 HB THR A 42 79.687 -8.593 -5.887 1.00 0.00 H new ATOM 0 HG1 THR A 42 81.011 -6.935 -5.822 1.00 0.00 H new ATOM 0 HG21 THR A 42 79.330 -7.841 -8.224 1.00 0.00 H new ATOM 0 HG22 THR A 42 77.829 -8.495 -7.526 1.00 0.00 H new ATOM 0 HG23 THR A 42 78.050 -6.735 -7.672 1.00 0.00 H new ATOM 682 N HIS A 43 79.546 -7.794 -3.107 1.00 0.00 N ATOM 683 CA HIS A 43 80.200 -7.362 -1.825 1.00 0.00 C ATOM 684 C HIS A 43 80.878 -6.008 -2.064 1.00 0.00 C ATOM 685 O HIS A 43 80.856 -5.485 -3.160 1.00 0.00 O ATOM 686 CB HIS A 43 81.223 -8.453 -1.446 1.00 0.00 C ATOM 687 CG HIS A 43 80.754 -9.801 -1.929 1.00 0.00 C ATOM 688 ND1 HIS A 43 81.379 -10.465 -2.974 1.00 0.00 N ATOM 689 CD2 HIS A 43 79.706 -10.601 -1.552 1.00 0.00 C ATOM 690 CE1 HIS A 43 80.708 -11.609 -3.188 1.00 0.00 C ATOM 691 NE2 HIS A 43 79.679 -11.744 -2.347 1.00 0.00 N ATOM 0 H HIS A 43 79.784 -8.732 -3.429 1.00 0.00 H new ATOM 0 HA HIS A 43 79.485 -7.243 -1.011 1.00 0.00 H new ATOM 0 HB2 HIS A 43 82.193 -8.219 -1.885 1.00 0.00 H new ATOM 0 HB3 HIS A 43 81.359 -8.474 -0.365 1.00 0.00 H new ATOM 0 HD2 HIS A 43 79.008 -10.378 -0.759 1.00 0.00 H new ATOM 0 HE1 HIS A 43 80.969 -12.331 -3.947 1.00 0.00 H new ATOM 0 HE2 HIS A 43 79.016 -12.518 -2.298 1.00 0.00 H new ATOM 699 N LEU A 44 81.439 -5.415 -1.050 1.00 0.00 N ATOM 700 CA LEU A 44 82.074 -4.072 -1.226 1.00 0.00 C ATOM 701 C LEU A 44 83.463 -4.185 -1.851 1.00 0.00 C ATOM 702 O LEU A 44 84.207 -3.226 -1.906 1.00 0.00 O ATOM 703 CB LEU A 44 82.148 -3.479 0.183 1.00 0.00 C ATOM 704 CG LEU A 44 82.919 -4.430 1.107 1.00 0.00 C ATOM 705 CD1 LEU A 44 84.354 -3.952 1.270 1.00 0.00 C ATOM 706 CD2 LEU A 44 82.254 -4.457 2.479 1.00 0.00 C ATOM 0 H LEU A 44 81.488 -5.798 -0.106 1.00 0.00 H new ATOM 0 HA LEU A 44 81.499 -3.442 -1.904 1.00 0.00 H new ATOM 0 HB2 LEU A 44 82.641 -2.507 0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 44 81.143 -3.315 0.572 1.00 0.00 H new ATOM 0 HG LEU A 44 82.914 -5.427 0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 44 84.892 -4.634 1.928 1.00 0.00 H new ATOM 0 HD12 LEU A 44 84.842 -3.927 0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 44 84.357 -2.952 1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 44 82.802 -5.133 3.136 1.00 0.00 H new ATOM 0 HD22 LEU A 44 82.259 -3.454 2.905 1.00 0.00 H new ATOM 0 HD23 LEU A 44 81.226 -4.804 2.378 1.00 0.00 H new ATOM 718 N LYS A 45 83.817 -5.341 -2.329 1.00 0.00 N ATOM 719 CA LYS A 45 85.149 -5.504 -2.955 1.00 0.00 C ATOM 720 C LYS A 45 85.303 -4.585 -4.166 1.00 0.00 C ATOM 721 O LYS A 45 86.341 -4.012 -4.386 1.00 0.00 O ATOM 722 CB LYS A 45 85.180 -6.954 -3.408 1.00 0.00 C ATOM 723 CG LYS A 45 86.557 -7.260 -3.973 1.00 0.00 C ATOM 724 CD LYS A 45 86.935 -8.694 -3.633 1.00 0.00 C ATOM 725 CE LYS A 45 88.305 -8.995 -4.227 1.00 0.00 C ATOM 726 NZ LYS A 45 89.244 -8.078 -3.519 1.00 0.00 N ATOM 0 H LYS A 45 83.238 -6.181 -2.312 1.00 0.00 H new ATOM 0 HA LYS A 45 85.954 -5.253 -2.264 1.00 0.00 H new ATOM 0 HB2 LYS A 45 84.960 -7.616 -2.571 1.00 0.00 H new ATOM 0 HB3 LYS A 45 84.414 -7.130 -4.163 1.00 0.00 H new ATOM 0 HG2 LYS A 45 86.559 -7.118 -5.054 1.00 0.00 H new ATOM 0 HG3 LYS A 45 87.293 -6.570 -3.560 1.00 0.00 H new ATOM 0 HD2 LYS A 45 86.954 -8.833 -2.552 1.00 0.00 H new ATOM 0 HD3 LYS A 45 86.191 -9.385 -4.031 1.00 0.00 H new ATOM 0 HE2 LYS A 45 88.581 -10.038 -4.073 1.00 0.00 H new ATOM 0 HE3 LYS A 45 88.316 -8.818 -5.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 90.103 -8.600 -3.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 89.499 -7.290 -4.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 88.785 -7.704 -2.664 1.00 0.00 H new ATOM 740 N LYS A 46 84.283 -4.456 -4.962 1.00 0.00 N ATOM 741 CA LYS A 46 84.394 -3.597 -6.175 1.00 0.00 C ATOM 742 C LYS A 46 84.718 -2.148 -5.791 1.00 0.00 C ATOM 743 O LYS A 46 85.501 -1.485 -6.446 1.00 0.00 O ATOM 744 CB LYS A 46 83.012 -3.686 -6.826 1.00 0.00 C ATOM 745 CG LYS A 46 82.774 -5.114 -7.321 1.00 0.00 C ATOM 746 CD LYS A 46 83.855 -5.515 -8.331 1.00 0.00 C ATOM 747 CE LYS A 46 83.888 -4.511 -9.485 1.00 0.00 C ATOM 748 NZ LYS A 46 84.959 -5.003 -10.403 1.00 0.00 N ATOM 0 H LYS A 46 83.378 -4.906 -4.828 1.00 0.00 H new ATOM 0 HA LYS A 46 85.193 -3.921 -6.841 1.00 0.00 H new ATOM 0 HB2 LYS A 46 82.241 -3.405 -6.108 1.00 0.00 H new ATOM 0 HB3 LYS A 46 82.944 -2.985 -7.658 1.00 0.00 H new ATOM 0 HG2 LYS A 46 82.781 -5.804 -6.477 1.00 0.00 H new ATOM 0 HG3 LYS A 46 81.790 -5.186 -7.784 1.00 0.00 H new ATOM 0 HD2 LYS A 46 84.828 -5.551 -7.841 1.00 0.00 H new ATOM 0 HD3 LYS A 46 83.654 -6.516 -8.714 1.00 0.00 H new ATOM 0 HE2 LYS A 46 82.925 -4.464 -9.993 1.00 0.00 H new ATOM 0 HE3 LYS A 46 84.109 -3.506 -9.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 85.038 -4.363 -11.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 85.866 -5.031 -9.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 84.719 -5.959 -10.735 1.00 0.00 H new ATOM 762 N LEU A 47 84.118 -1.648 -4.743 1.00 0.00 N ATOM 763 CA LEU A 47 84.389 -0.240 -4.334 1.00 0.00 C ATOM 764 C LEU A 47 85.806 -0.096 -3.765 1.00 0.00 C ATOM 765 O LEU A 47 86.584 0.751 -4.183 1.00 0.00 O ATOM 766 CB LEU A 47 83.346 0.049 -3.242 1.00 0.00 C ATOM 767 CG LEU A 47 83.528 1.451 -2.613 1.00 0.00 C ATOM 768 CD1 LEU A 47 84.272 1.331 -1.283 1.00 0.00 C ATOM 769 CD2 LEU A 47 84.314 2.392 -3.530 1.00 0.00 C ATOM 0 H LEU A 47 83.454 -2.152 -4.155 1.00 0.00 H new ATOM 0 HA LEU A 47 84.323 0.450 -5.175 1.00 0.00 H new ATOM 0 HB2 LEU A 47 82.346 -0.029 -3.668 1.00 0.00 H new ATOM 0 HB3 LEU A 47 83.420 -0.709 -2.462 1.00 0.00 H new ATOM 0 HG LEU A 47 82.533 1.868 -2.460 1.00 0.00 H new ATOM 0 HD11 LEU A 47 84.397 2.321 -0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 47 83.699 0.703 -0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 47 85.251 0.883 -1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 47 84.418 3.365 -3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 47 85.302 1.973 -3.720 1.00 0.00 H new ATOM 0 HD23 LEU A 47 83.782 2.509 -4.474 1.00 0.00 H new ATOM 781 N LYS A 48 86.157 -0.907 -2.807 1.00 0.00 N ATOM 782 CA LYS A 48 87.512 -0.782 -2.221 1.00 0.00 C ATOM 783 C LYS A 48 88.577 -1.432 -3.111 1.00 0.00 C ATOM 784 O LYS A 48 89.692 -0.979 -3.155 1.00 0.00 O ATOM 785 CB LYS A 48 87.433 -1.438 -0.841 1.00 0.00 C ATOM 786 CG LYS A 48 87.029 -2.900 -0.960 1.00 0.00 C ATOM 787 CD LYS A 48 88.253 -3.782 -0.695 1.00 0.00 C ATOM 788 CE LYS A 48 87.879 -4.865 0.321 1.00 0.00 C ATOM 789 NZ LYS A 48 89.003 -5.843 0.300 1.00 0.00 N ATOM 0 H LYS A 48 85.570 -1.641 -2.411 1.00 0.00 H new ATOM 0 HA LYS A 48 87.814 0.262 -2.138 1.00 0.00 H new ATOM 0 HB2 LYS A 48 88.399 -1.362 -0.342 1.00 0.00 H new ATOM 0 HB3 LYS A 48 86.711 -0.906 -0.221 1.00 0.00 H new ATOM 0 HG2 LYS A 48 86.238 -3.131 -0.247 1.00 0.00 H new ATOM 0 HG3 LYS A 48 86.630 -3.100 -1.954 1.00 0.00 H new ATOM 0 HD2 LYS A 48 88.595 -4.239 -1.623 1.00 0.00 H new ATOM 0 HD3 LYS A 48 89.077 -3.178 -0.315 1.00 0.00 H new ATOM 0 HE2 LYS A 48 87.748 -4.440 1.316 1.00 0.00 H new ATOM 0 HE3 LYS A 48 86.938 -5.345 0.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 88.808 -6.610 0.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 89.100 -6.239 -0.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 89.886 -5.363 0.567 1.00 0.00 H new ATOM 803 N GLU A 49 88.255 -2.470 -3.836 1.00 0.00 N ATOM 804 CA GLU A 49 89.297 -3.094 -4.709 1.00 0.00 C ATOM 805 C GLU A 49 89.812 -2.070 -5.725 1.00 0.00 C ATOM 806 O GLU A 49 91.005 -1.882 -5.868 1.00 0.00 O ATOM 807 CB GLU A 49 88.594 -4.247 -5.418 1.00 0.00 C ATOM 808 CG GLU A 49 89.576 -4.965 -6.344 1.00 0.00 C ATOM 809 CD GLU A 49 88.883 -6.176 -6.972 1.00 0.00 C ATOM 810 OE1 GLU A 49 87.701 -6.349 -6.721 1.00 0.00 O ATOM 811 OE2 GLU A 49 89.544 -6.910 -7.686 1.00 0.00 O ATOM 0 H GLU A 49 87.334 -2.908 -3.864 1.00 0.00 H new ATOM 0 HA GLU A 49 90.159 -3.440 -4.138 1.00 0.00 H new ATOM 0 HB2 GLU A 49 88.194 -4.947 -4.684 1.00 0.00 H new ATOM 0 HB3 GLU A 49 87.748 -3.870 -5.993 1.00 0.00 H new ATOM 0 HG2 GLU A 49 89.923 -4.286 -7.122 1.00 0.00 H new ATOM 0 HG3 GLU A 49 90.455 -5.284 -5.784 1.00 0.00 H new ATOM 818 N SER A 50 88.936 -1.378 -6.405 1.00 0.00 N ATOM 819 CA SER A 50 89.416 -0.348 -7.365 1.00 0.00 C ATOM 820 C SER A 50 90.210 0.679 -6.573 1.00 0.00 C ATOM 821 O SER A 50 91.264 1.130 -6.973 1.00 0.00 O ATOM 822 CB SER A 50 88.155 0.286 -7.953 1.00 0.00 C ATOM 823 OG SER A 50 87.434 -0.696 -8.683 1.00 0.00 O ATOM 0 H SER A 50 87.923 -1.481 -6.338 1.00 0.00 H new ATOM 0 HA SER A 50 90.049 -0.750 -8.156 1.00 0.00 H new ATOM 0 HB2 SER A 50 87.533 0.693 -7.156 1.00 0.00 H new ATOM 0 HB3 SER A 50 88.422 1.118 -8.605 1.00 0.00 H new ATOM 0 HG SER A 50 86.739 -1.084 -8.111 1.00 0.00 H new ATOM 829 N TYR A 51 89.703 1.024 -5.425 1.00 0.00 N ATOM 830 CA TYR A 51 90.399 1.992 -4.545 1.00 0.00 C ATOM 831 C TYR A 51 91.758 1.435 -4.086 1.00 0.00 C ATOM 832 O TYR A 51 92.736 2.151 -3.994 1.00 0.00 O ATOM 833 CB TYR A 51 89.436 2.151 -3.376 1.00 0.00 C ATOM 834 CG TYR A 51 90.045 3.030 -2.327 1.00 0.00 C ATOM 835 CD1 TYR A 51 90.430 4.335 -2.639 1.00 0.00 C ATOM 836 CD2 TYR A 51 90.223 2.532 -1.037 1.00 0.00 C ATOM 837 CE1 TYR A 51 90.997 5.147 -1.653 1.00 0.00 C ATOM 838 CE2 TYR A 51 90.788 3.339 -0.050 1.00 0.00 C ATOM 839 CZ TYR A 51 91.176 4.650 -0.357 1.00 0.00 C ATOM 840 OH TYR A 51 91.736 5.449 0.619 1.00 0.00 O ATOM 0 H TYR A 51 88.821 0.669 -5.056 1.00 0.00 H new ATOM 0 HA TYR A 51 90.626 2.938 -5.036 1.00 0.00 H new ATOM 0 HB2 TYR A 51 88.497 2.582 -3.723 1.00 0.00 H new ATOM 0 HB3 TYR A 51 89.201 1.175 -2.952 1.00 0.00 H new ATOM 0 HD1 TYR A 51 90.290 4.716 -3.640 1.00 0.00 H new ATOM 0 HD2 TYR A 51 89.923 1.521 -0.802 1.00 0.00 H new ATOM 0 HE1 TYR A 51 91.297 6.157 -1.891 1.00 0.00 H new ATOM 0 HE2 TYR A 51 90.926 2.954 0.950 1.00 0.00 H new ATOM 0 HH TYR A 51 91.519 6.387 0.438 1.00 0.00 H new ATOM 850 N CYS A 52 91.813 0.167 -3.774 1.00 0.00 N ATOM 851 CA CYS A 52 93.090 -0.450 -3.299 1.00 0.00 C ATOM 852 C CYS A 52 94.149 -0.537 -4.413 1.00 0.00 C ATOM 853 O CYS A 52 95.282 -0.146 -4.222 1.00 0.00 O ATOM 854 CB CYS A 52 92.669 -1.846 -2.839 1.00 0.00 C ATOM 855 SG CYS A 52 91.573 -1.701 -1.402 1.00 0.00 S ATOM 0 H CYS A 52 91.022 -0.474 -3.828 1.00 0.00 H new ATOM 0 HA CYS A 52 93.559 0.142 -2.513 1.00 0.00 H new ATOM 0 HB2 CYS A 52 92.159 -2.369 -3.648 1.00 0.00 H new ATOM 0 HB3 CYS A 52 93.548 -2.437 -2.582 1.00 0.00 H new ATOM 0 HG CYS A 52 90.463 -1.127 -1.759 1.00 0.00 H new ATOM 861 N GLN A 53 93.802 -1.057 -5.562 1.00 0.00 N ATOM 862 CA GLN A 53 94.814 -1.167 -6.662 1.00 0.00 C ATOM 863 C GLN A 53 95.185 0.203 -7.233 1.00 0.00 C ATOM 864 O GLN A 53 96.325 0.451 -7.575 1.00 0.00 O ATOM 865 CB GLN A 53 94.163 -2.039 -7.740 1.00 0.00 C ATOM 866 CG GLN A 53 93.957 -3.450 -7.189 1.00 0.00 C ATOM 867 CD GLN A 53 93.662 -4.428 -8.328 1.00 0.00 C ATOM 868 OE1 GLN A 53 92.954 -4.105 -9.260 1.00 0.00 O ATOM 869 NE2 GLN A 53 94.184 -5.626 -8.286 1.00 0.00 N ATOM 0 H GLN A 53 92.871 -1.408 -5.788 1.00 0.00 H new ATOM 0 HA GLN A 53 95.743 -1.600 -6.290 1.00 0.00 H new ATOM 0 HB2 GLN A 53 93.207 -1.611 -8.043 1.00 0.00 H new ATOM 0 HB3 GLN A 53 94.794 -2.071 -8.628 1.00 0.00 H new ATOM 0 HG2 GLN A 53 94.847 -3.770 -6.648 1.00 0.00 H new ATOM 0 HG3 GLN A 53 93.133 -3.452 -6.476 1.00 0.00 H new ATOM 0 HE21 GLN A 53 94.779 -5.896 -7.502 1.00 0.00 H new ATOM 0 HE22 GLN A 53 93.997 -6.291 -9.037 1.00 0.00 H new ATOM 878 N ARG A 54 94.240 1.089 -7.366 1.00 0.00 N ATOM 879 CA ARG A 54 94.571 2.423 -7.940 1.00 0.00 C ATOM 880 C ARG A 54 95.409 3.234 -6.947 1.00 0.00 C ATOM 881 O ARG A 54 96.171 4.099 -7.329 1.00 0.00 O ATOM 882 CB ARG A 54 93.225 3.099 -8.228 1.00 0.00 C ATOM 883 CG ARG A 54 92.554 3.489 -6.912 1.00 0.00 C ATOM 884 CD ARG A 54 91.100 3.915 -7.159 1.00 0.00 C ATOM 885 NE ARG A 54 91.169 5.022 -8.153 1.00 0.00 N ATOM 886 CZ ARG A 54 91.362 6.251 -7.754 1.00 0.00 C ATOM 887 NH1 ARG A 54 90.390 6.924 -7.193 1.00 0.00 N ATOM 888 NH2 ARG A 54 92.527 6.809 -7.924 1.00 0.00 N ATOM 0 H ARG A 54 93.263 0.951 -7.106 1.00 0.00 H new ATOM 0 HA ARG A 54 95.166 2.343 -8.850 1.00 0.00 H new ATOM 0 HB2 ARG A 54 93.376 3.984 -8.847 1.00 0.00 H new ATOM 0 HB3 ARG A 54 92.580 2.423 -8.790 1.00 0.00 H new ATOM 0 HG2 ARG A 54 92.581 2.648 -6.219 1.00 0.00 H new ATOM 0 HG3 ARG A 54 93.104 4.305 -6.444 1.00 0.00 H new ATOM 0 HD2 ARG A 54 90.507 3.083 -7.540 1.00 0.00 H new ATOM 0 HD3 ARG A 54 90.627 4.247 -6.235 1.00 0.00 H new ATOM 0 HE ARG A 54 91.065 4.820 -9.147 1.00 0.00 H new ATOM 0 HH11 ARG A 54 89.476 6.489 -7.065 1.00 0.00 H new ATOM 0 HH12 ARG A 54 90.546 7.883 -6.883 1.00 0.00 H new ATOM 0 HH21 ARG A 54 93.283 6.287 -8.367 1.00 0.00 H new ATOM 0 HH22 ARG A 54 92.683 7.768 -7.614 1.00 0.00 H new ATOM 902 N GLN A 55 95.294 2.956 -5.676 1.00 0.00 N ATOM 903 CA GLN A 55 96.112 3.711 -4.682 1.00 0.00 C ATOM 904 C GLN A 55 97.042 2.772 -3.911 1.00 0.00 C ATOM 905 O GLN A 55 98.237 2.979 -3.868 1.00 0.00 O ATOM 906 CB GLN A 55 95.107 4.388 -3.752 1.00 0.00 C ATOM 907 CG GLN A 55 94.509 5.600 -4.468 1.00 0.00 C ATOM 908 CD GLN A 55 93.449 6.255 -3.582 1.00 0.00 C ATOM 909 OE1 GLN A 55 93.686 6.506 -2.415 1.00 0.00 O ATOM 910 NE2 GLN A 55 92.281 6.534 -4.086 1.00 0.00 N ATOM 0 H GLN A 55 94.675 2.246 -5.285 1.00 0.00 H new ATOM 0 HA GLN A 55 96.759 4.443 -5.165 1.00 0.00 H new ATOM 0 HB2 GLN A 55 94.319 3.688 -3.474 1.00 0.00 H new ATOM 0 HB3 GLN A 55 95.597 4.699 -2.829 1.00 0.00 H new ATOM 0 HG2 GLN A 55 95.294 6.319 -4.703 1.00 0.00 H new ATOM 0 HG3 GLN A 55 94.065 5.292 -5.415 1.00 0.00 H new ATOM 0 HE21 GLN A 55 92.084 6.323 -5.064 1.00 0.00 H new ATOM 0 HE22 GLN A 55 91.563 6.964 -3.502 1.00 0.00 H new ATOM 919 N GLY A 56 96.523 1.738 -3.311 1.00 0.00 N ATOM 920 CA GLY A 56 97.417 0.807 -2.562 1.00 0.00 C ATOM 921 C GLY A 56 96.617 -0.388 -2.036 1.00 0.00 C ATOM 922 O GLY A 56 95.677 -0.238 -1.283 1.00 0.00 O ATOM 0 H GLY A 56 95.532 1.497 -3.305 1.00 0.00 H new ATOM 0 HA2 GLY A 56 98.219 0.459 -3.213 1.00 0.00 H new ATOM 0 HA3 GLY A 56 97.887 1.333 -1.731 1.00 0.00 H new ATOM 926 N VAL A 57 96.988 -1.579 -2.428 1.00 0.00 N ATOM 927 CA VAL A 57 96.251 -2.787 -1.955 1.00 0.00 C ATOM 928 C VAL A 57 96.485 -3.019 -0.445 1.00 0.00 C ATOM 929 O VAL A 57 97.609 -2.985 0.014 1.00 0.00 O ATOM 930 CB VAL A 57 96.816 -3.938 -2.793 1.00 0.00 C ATOM 931 CG1 VAL A 57 98.334 -3.973 -2.649 1.00 0.00 C ATOM 932 CG2 VAL A 57 96.223 -5.261 -2.309 1.00 0.00 C ATOM 0 H VAL A 57 97.770 -1.767 -3.056 1.00 0.00 H new ATOM 0 HA VAL A 57 95.172 -2.689 -2.075 1.00 0.00 H new ATOM 0 HB VAL A 57 96.555 -3.788 -3.841 1.00 0.00 H new ATOM 0 HG11 VAL A 57 98.737 -4.792 -3.245 1.00 0.00 H new ATOM 0 HG12 VAL A 57 98.754 -3.029 -2.997 1.00 0.00 H new ATOM 0 HG13 VAL A 57 98.597 -4.123 -1.602 1.00 0.00 H new ATOM 0 HG21 VAL A 57 96.625 -6.080 -2.906 1.00 0.00 H new ATOM 0 HG22 VAL A 57 96.482 -5.414 -1.261 1.00 0.00 H new ATOM 0 HG23 VAL A 57 95.138 -5.234 -2.415 1.00 0.00 H new ATOM 942 N PRO A 58 95.403 -3.239 0.284 1.00 0.00 N ATOM 943 CA PRO A 58 95.475 -3.467 1.756 1.00 0.00 C ATOM 944 C PRO A 58 96.258 -4.731 2.094 1.00 0.00 C ATOM 945 O PRO A 58 96.614 -4.964 3.233 1.00 0.00 O ATOM 946 CB PRO A 58 94.006 -3.648 2.143 1.00 0.00 C ATOM 947 CG PRO A 58 93.139 -3.517 0.880 1.00 0.00 C ATOM 948 CD PRO A 58 94.052 -3.268 -0.323 1.00 0.00 C ATOM 0 HA PRO A 58 95.981 -2.656 2.279 1.00 0.00 H new ATOM 0 HB2 PRO A 58 93.855 -4.624 2.604 1.00 0.00 H new ATOM 0 HB3 PRO A 58 93.715 -2.899 2.879 1.00 0.00 H new ATOM 0 HG2 PRO A 58 92.554 -4.424 0.728 1.00 0.00 H new ATOM 0 HG3 PRO A 58 92.431 -2.696 0.992 1.00 0.00 H new ATOM 0 HD2 PRO A 58 93.961 -4.058 -1.069 1.00 0.00 H new ATOM 0 HD3 PRO A 58 93.814 -2.329 -0.823 1.00 0.00 H new ATOM 956 N MET A 59 96.498 -5.563 1.129 1.00 0.00 N ATOM 957 CA MET A 59 97.218 -6.834 1.407 1.00 0.00 C ATOM 958 C MET A 59 98.554 -6.568 2.111 1.00 0.00 C ATOM 959 O MET A 59 99.026 -7.389 2.873 1.00 0.00 O ATOM 960 CB MET A 59 97.444 -7.455 0.028 1.00 0.00 C ATOM 961 CG MET A 59 96.084 -7.787 -0.602 1.00 0.00 C ATOM 962 SD MET A 59 96.330 -8.484 -2.254 1.00 0.00 S ATOM 963 CE MET A 59 97.012 -10.073 -1.729 1.00 0.00 C ATOM 0 H MET A 59 96.227 -5.420 0.156 1.00 0.00 H new ATOM 0 HA MET A 59 96.654 -7.490 2.071 1.00 0.00 H new ATOM 0 HB2 MET A 59 97.995 -6.764 -0.610 1.00 0.00 H new ATOM 0 HB3 MET A 59 98.048 -8.358 0.117 1.00 0.00 H new ATOM 0 HG2 MET A 59 95.545 -8.497 0.026 1.00 0.00 H new ATOM 0 HG3 MET A 59 95.472 -6.887 -0.664 1.00 0.00 H new ATOM 0 HE1 MET A 59 96.625 -10.865 -2.370 1.00 0.00 H new ATOM 0 HE2 MET A 59 98.099 -10.045 -1.803 1.00 0.00 H new ATOM 0 HE3 MET A 59 96.724 -10.269 -0.696 1.00 0.00 H new ATOM 973 N ASN A 60 99.185 -5.449 1.866 1.00 0.00 N ATOM 974 CA ASN A 60 100.497 -5.206 2.536 1.00 0.00 C ATOM 975 C ASN A 60 100.548 -3.880 3.316 1.00 0.00 C ATOM 976 O ASN A 60 101.439 -3.681 4.118 1.00 0.00 O ATOM 977 CB ASN A 60 101.507 -5.171 1.389 1.00 0.00 C ATOM 978 CG ASN A 60 101.426 -3.815 0.678 1.00 0.00 C ATOM 979 OD1 ASN A 60 102.274 -2.964 0.873 1.00 0.00 O ATOM 980 ND2 ASN A 60 100.425 -3.563 -0.125 1.00 0.00 N ATOM 0 H ASN A 60 98.858 -4.708 1.246 1.00 0.00 H new ATOM 0 HA ASN A 60 100.695 -5.979 3.278 1.00 0.00 H new ATOM 0 HB2 ASN A 60 102.514 -5.333 1.772 1.00 0.00 H new ATOM 0 HB3 ASN A 60 101.301 -5.976 0.684 1.00 0.00 H new ATOM 0 HD21 ASN A 60 100.357 -2.656 -0.586 1.00 0.00 H new ATOM 0 HD22 ASN A 60 99.713 -4.274 -0.291 1.00 0.00 H new ATOM 987 N SER A 61 99.652 -2.950 3.088 1.00 0.00 N ATOM 988 CA SER A 61 99.776 -1.660 3.840 1.00 0.00 C ATOM 989 C SER A 61 98.428 -1.043 4.228 1.00 0.00 C ATOM 990 O SER A 61 98.306 -0.419 5.264 1.00 0.00 O ATOM 991 CB SER A 61 100.492 -0.717 2.872 1.00 0.00 C ATOM 992 OG SER A 61 101.775 -1.239 2.548 1.00 0.00 O ATOM 0 H SER A 61 98.868 -3.020 2.439 1.00 0.00 H new ATOM 0 HA SER A 61 100.303 -1.829 4.779 1.00 0.00 H new ATOM 0 HB2 SER A 61 99.900 -0.595 1.965 1.00 0.00 H new ATOM 0 HB3 SER A 61 100.594 0.271 3.322 1.00 0.00 H new ATOM 0 HG SER A 61 101.751 -1.631 1.650 1.00 0.00 H new ATOM 998 N LEU A 62 97.430 -1.155 3.402 1.00 0.00 N ATOM 999 CA LEU A 62 96.135 -0.506 3.748 1.00 0.00 C ATOM 1000 C LEU A 62 95.203 -1.452 4.497 1.00 0.00 C ATOM 1001 O LEU A 62 95.212 -2.652 4.306 1.00 0.00 O ATOM 1002 CB LEU A 62 95.510 -0.084 2.418 1.00 0.00 C ATOM 1003 CG LEU A 62 96.318 1.058 1.801 1.00 0.00 C ATOM 1004 CD1 LEU A 62 97.470 0.485 0.978 1.00 0.00 C ATOM 1005 CD2 LEU A 62 95.412 1.887 0.891 1.00 0.00 C ATOM 0 H LEU A 62 97.450 -1.659 2.515 1.00 0.00 H new ATOM 0 HA LEU A 62 96.299 0.342 4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 62 95.483 -0.932 1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 62 94.479 0.232 2.575 1.00 0.00 H new ATOM 0 HG LEU A 62 96.717 1.688 2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 62 98.045 1.301 0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 62 98.118 -0.109 1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 62 97.071 -0.146 0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 62 95.986 2.702 0.450 1.00 0.00 H new ATOM 0 HD22 LEU A 62 95.014 1.253 0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 62 94.588 2.298 1.475 1.00 0.00 H new ATOM 1017 N ARG A 63 94.392 -0.894 5.346 1.00 0.00 N ATOM 1018 CA ARG A 63 93.425 -1.708 6.130 1.00 0.00 C ATOM 1019 C ARG A 63 92.037 -1.108 5.967 1.00 0.00 C ATOM 1020 O ARG A 63 91.900 0.085 5.861 1.00 0.00 O ATOM 1021 CB ARG A 63 93.914 -1.597 7.571 1.00 0.00 C ATOM 1022 CG ARG A 63 93.045 -2.455 8.481 1.00 0.00 C ATOM 1023 CD ARG A 63 93.608 -2.389 9.897 1.00 0.00 C ATOM 1024 NE ARG A 63 93.692 -3.805 10.333 1.00 0.00 N ATOM 1025 CZ ARG A 63 94.793 -4.255 10.859 1.00 0.00 C ATOM 1026 NH1 ARG A 63 95.500 -3.493 11.649 1.00 0.00 N ATOM 1027 NH2 ARG A 63 95.195 -5.464 10.588 1.00 0.00 N ATOM 0 H ARG A 63 94.357 0.108 5.534 1.00 0.00 H new ATOM 0 HA ARG A 63 93.365 -2.749 5.812 1.00 0.00 H new ATOM 0 HB2 ARG A 63 94.953 -1.919 7.637 1.00 0.00 H new ATOM 0 HB3 ARG A 63 93.881 -0.557 7.896 1.00 0.00 H new ATOM 0 HG2 ARG A 63 92.015 -2.098 8.467 1.00 0.00 H new ATOM 0 HG3 ARG A 63 93.030 -3.486 8.128 1.00 0.00 H new ATOM 0 HD2 ARG A 63 94.587 -1.911 9.912 1.00 0.00 H new ATOM 0 HD3 ARG A 63 92.960 -1.810 10.555 1.00 0.00 H new ATOM 0 HE ARG A 63 92.889 -4.423 10.220 1.00 0.00 H new ATOM 0 HH11 ARG A 63 95.189 -2.544 11.854 1.00 0.00 H new ATOM 0 HH12 ARG A 63 96.363 -3.847 12.061 1.00 0.00 H new ATOM 0 HH21 ARG A 63 94.647 -6.056 9.964 1.00 0.00 H new ATOM 0 HH22 ARG A 63 96.058 -5.819 11.000 1.00 0.00 H new ATOM 1041 N PHE A 64 91.007 -1.907 5.902 1.00 0.00 N ATOM 1042 CA PHE A 64 89.658 -1.307 5.691 1.00 0.00 C ATOM 1043 C PHE A 64 88.702 -1.481 6.866 1.00 0.00 C ATOM 1044 O PHE A 64 88.316 -2.578 7.247 1.00 0.00 O ATOM 1045 CB PHE A 64 89.104 -1.989 4.447 1.00 0.00 C ATOM 1046 CG PHE A 64 89.706 -1.338 3.233 1.00 0.00 C ATOM 1047 CD1 PHE A 64 91.087 -1.380 3.013 1.00 0.00 C ATOM 1048 CD2 PHE A 64 88.874 -0.679 2.332 1.00 0.00 C ATOM 1049 CE1 PHE A 64 91.632 -0.760 1.882 1.00 0.00 C ATOM 1050 CE2 PHE A 64 89.415 -0.061 1.205 1.00 0.00 C ATOM 1051 CZ PHE A 64 90.794 -0.102 0.978 1.00 0.00 C ATOM 0 H PHE A 64 91.037 -2.923 5.983 1.00 0.00 H new ATOM 0 HA PHE A 64 89.755 -0.227 5.584 1.00 0.00 H new ATOM 0 HB2 PHE A 64 89.341 -3.053 4.462 1.00 0.00 H new ATOM 0 HB3 PHE A 64 88.018 -1.905 4.422 1.00 0.00 H new ATOM 0 HD1 PHE A 64 91.731 -1.890 3.714 1.00 0.00 H new ATOM 0 HD2 PHE A 64 87.809 -0.646 2.506 1.00 0.00 H new ATOM 0 HE1 PHE A 64 92.698 -0.790 1.709 1.00 0.00 H new ATOM 0 HE2 PHE A 64 88.768 0.450 0.507 1.00 0.00 H new ATOM 0 HZ PHE A 64 91.212 0.375 0.104 1.00 0.00 H new ATOM 1061 N LEU A 65 88.265 -0.365 7.379 1.00 0.00 N ATOM 1062 CA LEU A 65 87.267 -0.351 8.474 1.00 0.00 C ATOM 1063 C LEU A 65 85.952 0.077 7.823 1.00 0.00 C ATOM 1064 O LEU A 65 85.929 1.007 7.041 1.00 0.00 O ATOM 1065 CB LEU A 65 87.770 0.705 9.465 1.00 0.00 C ATOM 1066 CG LEU A 65 86.857 0.728 10.689 1.00 0.00 C ATOM 1067 CD1 LEU A 65 86.777 -0.673 11.260 1.00 0.00 C ATOM 1068 CD2 LEU A 65 87.415 1.662 11.766 1.00 0.00 C ATOM 0 H LEU A 65 88.569 0.560 7.074 1.00 0.00 H new ATOM 0 HA LEU A 65 87.127 -1.302 8.988 1.00 0.00 H new ATOM 0 HB2 LEU A 65 88.793 0.480 9.765 1.00 0.00 H new ATOM 0 HB3 LEU A 65 87.786 1.686 8.991 1.00 0.00 H new ATOM 0 HG LEU A 65 85.872 1.085 10.387 1.00 0.00 H new ATOM 0 HD11 LEU A 65 86.128 -0.673 12.136 1.00 0.00 H new ATOM 0 HD12 LEU A 65 86.371 -1.350 10.508 1.00 0.00 H new ATOM 0 HD13 LEU A 65 87.774 -1.006 11.548 1.00 0.00 H new ATOM 0 HD21 LEU A 65 86.748 1.662 12.628 1.00 0.00 H new ATOM 0 HD22 LEU A 65 88.403 1.316 12.071 1.00 0.00 H new ATOM 0 HD23 LEU A 65 87.492 2.673 11.366 1.00 0.00 H new ATOM 1080 N PHE A 66 84.870 -0.600 8.059 1.00 0.00 N ATOM 1081 CA PHE A 66 83.629 -0.191 7.342 1.00 0.00 C ATOM 1082 C PHE A 66 82.559 0.332 8.316 1.00 0.00 C ATOM 1083 O PHE A 66 82.466 1.521 8.546 1.00 0.00 O ATOM 1084 CB PHE A 66 83.202 -1.467 6.615 1.00 0.00 C ATOM 1085 CG PHE A 66 82.314 -1.138 5.443 1.00 0.00 C ATOM 1086 CD1 PHE A 66 80.983 -0.764 5.644 1.00 0.00 C ATOM 1087 CD2 PHE A 66 82.833 -1.223 4.147 1.00 0.00 C ATOM 1088 CE1 PHE A 66 80.169 -0.474 4.545 1.00 0.00 C ATOM 1089 CE2 PHE A 66 82.018 -0.936 3.048 1.00 0.00 C ATOM 1090 CZ PHE A 66 80.686 -0.561 3.250 1.00 0.00 C ATOM 0 H PHE A 66 84.785 -1.393 8.694 1.00 0.00 H new ATOM 0 HA PHE A 66 83.782 0.639 6.652 1.00 0.00 H new ATOM 0 HB2 PHE A 66 84.083 -2.008 6.270 1.00 0.00 H new ATOM 0 HB3 PHE A 66 82.674 -2.126 7.305 1.00 0.00 H new ATOM 0 HD1 PHE A 66 80.584 -0.699 6.646 1.00 0.00 H new ATOM 0 HD2 PHE A 66 83.863 -1.510 3.995 1.00 0.00 H new ATOM 0 HE1 PHE A 66 79.140 -0.183 4.697 1.00 0.00 H new ATOM 0 HE2 PHE A 66 82.416 -1.004 2.046 1.00 0.00 H new ATOM 0 HZ PHE A 66 80.055 -0.338 2.402 1.00 0.00 H new ATOM 1100 N GLU A 67 81.755 -0.520 8.894 1.00 0.00 N ATOM 1101 CA GLU A 67 80.720 -0.020 9.845 1.00 0.00 C ATOM 1102 C GLU A 67 81.404 0.473 11.117 1.00 0.00 C ATOM 1103 O GLU A 67 80.840 1.213 11.899 1.00 0.00 O ATOM 1104 CB GLU A 67 79.821 -1.219 10.152 1.00 0.00 C ATOM 1105 CG GLU A 67 80.612 -2.284 10.921 1.00 0.00 C ATOM 1106 CD GLU A 67 80.484 -2.035 12.427 1.00 0.00 C ATOM 1107 OE1 GLU A 67 79.465 -1.502 12.839 1.00 0.00 O ATOM 1108 OE2 GLU A 67 81.407 -2.382 13.144 1.00 0.00 O ATOM 0 H GLU A 67 81.769 -1.530 8.751 1.00 0.00 H new ATOM 0 HA GLU A 67 80.143 0.808 9.432 1.00 0.00 H new ATOM 0 HB2 GLU A 67 78.961 -0.898 10.740 1.00 0.00 H new ATOM 0 HB3 GLU A 67 79.434 -1.641 9.224 1.00 0.00 H new ATOM 0 HG2 GLU A 67 80.238 -3.278 10.674 1.00 0.00 H new ATOM 0 HG3 GLU A 67 81.661 -2.256 10.626 1.00 0.00 H new ATOM 1115 N GLY A 68 82.621 0.054 11.322 1.00 0.00 N ATOM 1116 CA GLY A 68 83.366 0.474 12.538 1.00 0.00 C ATOM 1117 C GLY A 68 84.410 -0.590 12.890 1.00 0.00 C ATOM 1118 O GLY A 68 85.309 -0.351 13.670 1.00 0.00 O ATOM 0 H GLY A 68 83.134 -0.565 10.694 1.00 0.00 H new ATOM 0 HA2 GLY A 68 83.853 1.434 12.366 1.00 0.00 H new ATOM 0 HA3 GLY A 68 82.676 0.612 13.371 1.00 0.00 H new ATOM 1122 N GLN A 69 84.275 -1.771 12.345 1.00 0.00 N ATOM 1123 CA GLN A 69 85.240 -2.866 12.653 1.00 0.00 C ATOM 1124 C GLN A 69 85.943 -3.313 11.372 1.00 0.00 C ATOM 1125 O GLN A 69 85.470 -3.051 10.278 1.00 0.00 O ATOM 1126 CB GLN A 69 84.359 -4.001 13.158 1.00 0.00 C ATOM 1127 CG GLN A 69 83.459 -4.463 12.009 1.00 0.00 C ATOM 1128 CD GLN A 69 82.678 -5.713 12.425 1.00 0.00 C ATOM 1129 OE1 GLN A 69 83.251 -6.767 12.615 1.00 0.00 O ATOM 1130 NE2 GLN A 69 81.385 -5.636 12.579 1.00 0.00 N ATOM 0 H GLN A 69 83.531 -2.025 11.695 1.00 0.00 H new ATOM 0 HA GLN A 69 86.006 -2.562 13.367 1.00 0.00 H new ATOM 0 HB2 GLN A 69 84.973 -4.828 13.514 1.00 0.00 H new ATOM 0 HB3 GLN A 69 83.755 -3.666 14.001 1.00 0.00 H new ATOM 0 HG2 GLN A 69 82.767 -3.666 11.735 1.00 0.00 H new ATOM 0 HG3 GLN A 69 84.063 -4.678 11.127 1.00 0.00 H new ATOM 0 HE21 GLN A 69 80.904 -4.751 12.419 1.00 0.00 H new ATOM 0 HE22 GLN A 69 80.855 -6.461 12.859 1.00 0.00 H new ATOM 1139 N ARG A 70 87.052 -3.991 11.470 1.00 0.00 N ATOM 1140 CA ARG A 70 87.711 -4.449 10.224 1.00 0.00 C ATOM 1141 C ARG A 70 86.727 -5.386 9.518 1.00 0.00 C ATOM 1142 O ARG A 70 86.210 -6.305 10.117 1.00 0.00 O ATOM 1143 CB ARG A 70 88.956 -5.206 10.686 1.00 0.00 C ATOM 1144 CG ARG A 70 89.885 -5.463 9.497 1.00 0.00 C ATOM 1145 CD ARG A 70 91.144 -6.187 9.986 1.00 0.00 C ATOM 1146 NE ARG A 70 90.688 -7.568 10.307 1.00 0.00 N ATOM 1147 CZ ARG A 70 91.481 -8.590 10.110 1.00 0.00 C ATOM 1148 NH1 ARG A 70 92.017 -8.788 8.936 1.00 0.00 N ATOM 1149 NH2 ARG A 70 91.743 -9.414 11.090 1.00 0.00 N ATOM 0 H ARG A 70 87.520 -4.242 12.341 1.00 0.00 H new ATOM 0 HA ARG A 70 87.985 -3.647 9.539 1.00 0.00 H new ATOM 0 HB2 ARG A 70 89.480 -4.630 11.449 1.00 0.00 H new ATOM 0 HB3 ARG A 70 88.667 -6.152 11.143 1.00 0.00 H new ATOM 0 HG2 ARG A 70 89.374 -6.065 8.745 1.00 0.00 H new ATOM 0 HG3 ARG A 70 90.155 -4.520 9.021 1.00 0.00 H new ATOM 0 HD2 ARG A 70 91.919 -6.194 9.220 1.00 0.00 H new ATOM 0 HD3 ARG A 70 91.567 -5.696 10.862 1.00 0.00 H new ATOM 0 HE ARG A 70 89.752 -7.718 10.683 1.00 0.00 H new ATOM 0 HH11 ARG A 70 91.818 -8.145 8.170 1.00 0.00 H new ATOM 0 HH12 ARG A 70 92.635 -9.586 8.785 1.00 0.00 H new ATOM 0 HH21 ARG A 70 91.329 -9.261 12.010 1.00 0.00 H new ATOM 0 HH22 ARG A 70 92.361 -10.210 10.935 1.00 0.00 H new ATOM 1163 N ILE A 71 86.420 -5.143 8.276 1.00 0.00 N ATOM 1164 CA ILE A 71 85.417 -6.027 7.595 1.00 0.00 C ATOM 1165 C ILE A 71 86.040 -6.830 6.446 1.00 0.00 C ATOM 1166 O ILE A 71 87.196 -6.673 6.114 1.00 0.00 O ATOM 1167 CB ILE A 71 84.373 -5.066 7.042 1.00 0.00 C ATOM 1168 CG1 ILE A 71 85.028 -4.171 5.989 1.00 0.00 C ATOM 1169 CG2 ILE A 71 83.848 -4.194 8.184 1.00 0.00 C ATOM 1170 CD1 ILE A 71 84.022 -3.874 4.873 1.00 0.00 C ATOM 0 H ILE A 71 86.806 -4.390 7.707 1.00 0.00 H new ATOM 0 HA ILE A 71 85.007 -6.761 8.289 1.00 0.00 H new ATOM 0 HB ILE A 71 83.552 -5.625 6.593 1.00 0.00 H new ATOM 0 HG12 ILE A 71 85.365 -3.241 6.446 1.00 0.00 H new ATOM 0 HG13 ILE A 71 85.910 -4.662 5.577 1.00 0.00 H new ATOM 0 HG21 ILE A 71 83.099 -3.502 7.799 1.00 0.00 H new ATOM 0 HG22 ILE A 71 83.397 -4.828 8.948 1.00 0.00 H new ATOM 0 HG23 ILE A 71 84.673 -3.630 8.620 1.00 0.00 H new ATOM 0 HD11 ILE A 71 84.489 -3.236 4.123 1.00 0.00 H new ATOM 0 HD12 ILE A 71 83.707 -4.809 4.409 1.00 0.00 H new ATOM 0 HD13 ILE A 71 83.154 -3.366 5.292 1.00 0.00 H new ATOM 1182 N ALA A 72 85.259 -7.687 5.834 1.00 0.00 N ATOM 1183 CA ALA A 72 85.772 -8.503 4.690 1.00 0.00 C ATOM 1184 C ALA A 72 85.180 -7.983 3.380 1.00 0.00 C ATOM 1185 O ALA A 72 84.633 -6.902 3.326 1.00 0.00 O ATOM 1186 CB ALA A 72 85.309 -9.937 4.963 1.00 0.00 C ATOM 0 H ALA A 72 84.284 -7.857 6.079 1.00 0.00 H new ATOM 0 HA ALA A 72 86.857 -8.450 4.600 1.00 0.00 H new ATOM 0 HB1 ALA A 72 85.652 -10.589 4.160 1.00 0.00 H new ATOM 0 HB2 ALA A 72 85.724 -10.279 5.911 1.00 0.00 H new ATOM 0 HB3 ALA A 72 84.220 -9.965 5.012 1.00 0.00 H new ATOM 1192 N ASP A 73 85.291 -8.734 2.320 1.00 0.00 N ATOM 1193 CA ASP A 73 84.741 -8.270 1.024 1.00 0.00 C ATOM 1194 C ASP A 73 83.683 -9.247 0.521 1.00 0.00 C ATOM 1195 O ASP A 73 83.442 -9.346 -0.661 1.00 0.00 O ATOM 1196 CB ASP A 73 85.940 -8.236 0.078 1.00 0.00 C ATOM 1197 CG ASP A 73 86.494 -9.655 -0.118 1.00 0.00 C ATOM 1198 OD1 ASP A 73 85.793 -10.599 0.211 1.00 0.00 O ATOM 1199 OD2 ASP A 73 87.611 -9.772 -0.592 1.00 0.00 O ATOM 0 H ASP A 73 85.740 -9.650 2.299 1.00 0.00 H new ATOM 0 HA ASP A 73 84.258 -7.296 1.102 1.00 0.00 H new ATOM 0 HB2 ASP A 73 85.644 -7.816 -0.883 1.00 0.00 H new ATOM 0 HB3 ASP A 73 86.716 -7.587 0.484 1.00 0.00 H new ATOM 1204 N ASN A 74 83.071 -9.991 1.398 1.00 0.00 N ATOM 1205 CA ASN A 74 82.047 -10.971 0.934 1.00 0.00 C ATOM 1206 C ASN A 74 80.733 -10.834 1.711 1.00 0.00 C ATOM 1207 O ASN A 74 80.005 -11.795 1.861 1.00 0.00 O ATOM 1208 CB ASN A 74 82.674 -12.341 1.186 1.00 0.00 C ATOM 1209 CG ASN A 74 82.901 -12.535 2.687 1.00 0.00 C ATOM 1210 OD1 ASN A 74 81.964 -12.720 3.437 1.00 0.00 O ATOM 1211 ND2 ASN A 74 84.117 -12.478 3.161 1.00 0.00 N ATOM 0 H ASN A 74 83.231 -9.966 2.405 1.00 0.00 H new ATOM 0 HA ASN A 74 81.792 -10.811 -0.113 1.00 0.00 H new ATOM 0 HB2 ASN A 74 82.023 -13.126 0.802 1.00 0.00 H new ATOM 0 HB3 ASN A 74 83.620 -12.423 0.652 1.00 0.00 H new ATOM 0 HD21 ASN A 74 84.280 -12.589 4.162 1.00 0.00 H new ATOM 0 HD22 ASN A 74 84.903 -12.323 2.530 1.00 0.00 H new ATOM 1218 N HIS A 75 80.403 -9.668 2.207 1.00 0.00 N ATOM 1219 CA HIS A 75 79.116 -9.549 2.957 1.00 0.00 C ATOM 1220 C HIS A 75 78.226 -8.415 2.410 1.00 0.00 C ATOM 1221 O HIS A 75 78.402 -7.258 2.732 1.00 0.00 O ATOM 1222 CB HIS A 75 79.508 -9.310 4.425 1.00 0.00 C ATOM 1223 CG HIS A 75 80.565 -8.240 4.558 1.00 0.00 C ATOM 1224 ND1 HIS A 75 80.255 -6.939 4.919 1.00 0.00 N ATOM 1225 CD2 HIS A 75 81.935 -8.280 4.447 1.00 0.00 C ATOM 1226 CE1 HIS A 75 81.414 -6.258 5.015 1.00 0.00 C ATOM 1227 NE2 HIS A 75 82.467 -7.027 4.737 1.00 0.00 N ATOM 0 H HIS A 75 80.953 -8.813 2.129 1.00 0.00 H new ATOM 0 HA HIS A 75 78.516 -10.452 2.848 1.00 0.00 H new ATOM 0 HB2 HIS A 75 78.625 -9.021 4.994 1.00 0.00 H new ATOM 0 HB3 HIS A 75 79.876 -10.240 4.859 1.00 0.00 H new ATOM 0 HD2 HIS A 75 82.511 -9.152 4.176 1.00 0.00 H new ATOM 0 HE1 HIS A 75 81.482 -5.214 5.285 1.00 0.00 H new ATOM 0 HE2 HIS A 75 83.450 -6.756 4.737 1.00 0.00 H new ATOM 1235 N THR A 76 77.261 -8.760 1.582 1.00 0.00 N ATOM 1236 CA THR A 76 76.336 -7.731 1.002 1.00 0.00 C ATOM 1237 C THR A 76 75.170 -7.381 1.965 1.00 0.00 C ATOM 1238 O THR A 76 75.015 -6.235 2.343 1.00 0.00 O ATOM 1239 CB THR A 76 75.837 -8.341 -0.317 1.00 0.00 C ATOM 1240 OG1 THR A 76 76.798 -8.090 -1.334 1.00 0.00 O ATOM 1241 CG2 THR A 76 74.494 -7.720 -0.719 1.00 0.00 C ATOM 0 H THR A 76 77.075 -9.717 1.283 1.00 0.00 H new ATOM 0 HA THR A 76 76.845 -6.781 0.837 1.00 0.00 H new ATOM 0 HB THR A 76 75.700 -9.414 -0.186 1.00 0.00 H new ATOM 0 HG1 THR A 76 76.489 -8.477 -2.179 1.00 0.00 H new ATOM 0 HG21 THR A 76 74.154 -8.163 -1.655 1.00 0.00 H new ATOM 0 HG22 THR A 76 73.757 -7.911 0.061 1.00 0.00 H new ATOM 0 HG23 THR A 76 74.615 -6.645 -0.849 1.00 0.00 H new ATOM 1249 N PRO A 77 74.371 -8.360 2.329 1.00 0.00 N ATOM 1250 CA PRO A 77 73.221 -8.104 3.239 1.00 0.00 C ATOM 1251 C PRO A 77 73.685 -7.517 4.573 1.00 0.00 C ATOM 1252 O PRO A 77 72.980 -6.759 5.212 1.00 0.00 O ATOM 1253 CB PRO A 77 72.631 -9.503 3.437 1.00 0.00 C ATOM 1254 CG PRO A 77 73.447 -10.507 2.602 1.00 0.00 C ATOM 1255 CD PRO A 77 74.562 -9.752 1.870 1.00 0.00 C ATOM 0 HA PRO A 77 72.510 -7.382 2.837 1.00 0.00 H new ATOM 0 HB2 PRO A 77 72.658 -9.779 4.491 1.00 0.00 H new ATOM 0 HB3 PRO A 77 71.585 -9.519 3.130 1.00 0.00 H new ATOM 0 HG2 PRO A 77 73.873 -11.276 3.247 1.00 0.00 H new ATOM 0 HG3 PRO A 77 72.801 -11.014 1.885 1.00 0.00 H new ATOM 0 HD2 PRO A 77 75.549 -10.133 2.133 1.00 0.00 H new ATOM 0 HD3 PRO A 77 74.466 -9.838 0.788 1.00 0.00 H new ATOM 1263 N LYS A 78 74.852 -7.883 5.006 1.00 0.00 N ATOM 1264 CA LYS A 78 75.367 -7.380 6.312 1.00 0.00 C ATOM 1265 C LYS A 78 75.433 -5.842 6.365 1.00 0.00 C ATOM 1266 O LYS A 78 74.470 -5.185 6.706 1.00 0.00 O ATOM 1267 CB LYS A 78 76.765 -7.985 6.404 1.00 0.00 C ATOM 1268 CG LYS A 78 77.431 -7.550 7.707 1.00 0.00 C ATOM 1269 CD LYS A 78 77.633 -8.769 8.605 1.00 0.00 C ATOM 1270 CE LYS A 78 78.666 -8.436 9.683 1.00 0.00 C ATOM 1271 NZ LYS A 78 79.208 -9.755 10.115 1.00 0.00 N ATOM 0 H LYS A 78 75.481 -8.515 4.510 1.00 0.00 H new ATOM 0 HA LYS A 78 74.716 -7.661 7.140 1.00 0.00 H new ATOM 0 HB2 LYS A 78 76.704 -9.072 6.361 1.00 0.00 H new ATOM 0 HB3 LYS A 78 77.366 -7.665 5.553 1.00 0.00 H new ATOM 0 HG2 LYS A 78 78.390 -7.076 7.498 1.00 0.00 H new ATOM 0 HG3 LYS A 78 76.813 -6.809 8.214 1.00 0.00 H new ATOM 0 HD2 LYS A 78 76.688 -9.056 9.067 1.00 0.00 H new ATOM 0 HD3 LYS A 78 77.970 -9.620 8.013 1.00 0.00 H new ATOM 0 HE2 LYS A 78 79.455 -7.794 9.290 1.00 0.00 H new ATOM 0 HE3 LYS A 78 78.209 -7.904 10.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 79.924 -9.610 10.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 78.436 -10.341 10.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 79.643 -10.235 9.301 1.00 0.00 H new ATOM 1285 N GLU A 79 76.568 -5.271 6.054 1.00 0.00 N ATOM 1286 CA GLU A 79 76.713 -3.784 6.115 1.00 0.00 C ATOM 1287 C GLU A 79 76.780 -3.179 4.716 1.00 0.00 C ATOM 1288 O GLU A 79 77.120 -2.023 4.543 1.00 0.00 O ATOM 1289 CB GLU A 79 78.025 -3.573 6.860 1.00 0.00 C ATOM 1290 CG GLU A 79 77.811 -3.933 8.328 1.00 0.00 C ATOM 1291 CD GLU A 79 79.096 -4.531 8.899 1.00 0.00 C ATOM 1292 OE1 GLU A 79 80.104 -4.483 8.213 1.00 0.00 O ATOM 1293 OE2 GLU A 79 79.052 -5.029 10.012 1.00 0.00 O ATOM 0 H GLU A 79 77.405 -5.773 5.759 1.00 0.00 H new ATOM 0 HA GLU A 79 75.867 -3.303 6.606 1.00 0.00 H new ATOM 0 HB2 GLU A 79 78.810 -4.194 6.428 1.00 0.00 H new ATOM 0 HB3 GLU A 79 78.351 -2.537 6.768 1.00 0.00 H new ATOM 0 HG2 GLU A 79 77.528 -3.045 8.894 1.00 0.00 H new ATOM 0 HG3 GLU A 79 76.992 -4.646 8.423 1.00 0.00 H new ATOM 1300 N LEU A 80 76.468 -3.949 3.719 1.00 0.00 N ATOM 1301 CA LEU A 80 76.518 -3.431 2.330 1.00 0.00 C ATOM 1302 C LEU A 80 75.102 -3.194 1.797 1.00 0.00 C ATOM 1303 O LEU A 80 74.878 -3.140 0.604 1.00 0.00 O ATOM 1304 CB LEU A 80 77.211 -4.548 1.561 1.00 0.00 C ATOM 1305 CG LEU A 80 78.709 -4.502 1.833 1.00 0.00 C ATOM 1306 CD1 LEU A 80 78.973 -4.813 3.309 1.00 0.00 C ATOM 1307 CD2 LEU A 80 79.403 -5.542 0.955 1.00 0.00 C ATOM 0 H LEU A 80 76.178 -4.923 3.807 1.00 0.00 H new ATOM 0 HA LEU A 80 77.036 -2.476 2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 80 76.806 -5.515 1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 80 77.022 -4.440 0.493 1.00 0.00 H new ATOM 0 HG LEU A 80 79.097 -3.509 1.604 1.00 0.00 H new ATOM 0 HD11 LEU A 80 80.045 -4.780 3.502 1.00 0.00 H new ATOM 0 HD12 LEU A 80 78.469 -4.074 3.932 1.00 0.00 H new ATOM 0 HD13 LEU A 80 78.593 -5.807 3.545 1.00 0.00 H new ATOM 0 HD21 LEU A 80 80.477 -5.518 1.142 1.00 0.00 H new ATOM 0 HD22 LEU A 80 79.016 -6.533 1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 80 79.212 -5.318 -0.094 1.00 0.00 H new ATOM 1319 N GLY A 81 74.144 -3.061 2.674 1.00 0.00 N ATOM 1320 CA GLY A 81 72.740 -2.840 2.220 1.00 0.00 C ATOM 1321 C GLY A 81 72.483 -1.345 1.965 1.00 0.00 C ATOM 1322 O GLY A 81 71.358 -0.933 1.762 1.00 0.00 O ATOM 0 H GLY A 81 74.272 -3.096 3.685 1.00 0.00 H new ATOM 0 HA2 GLY A 81 72.553 -3.407 1.308 1.00 0.00 H new ATOM 0 HA3 GLY A 81 72.046 -3.211 2.974 1.00 0.00 H new ATOM 1326 N MET A 82 73.509 -0.529 1.974 1.00 0.00 N ATOM 1327 CA MET A 82 73.308 0.937 1.738 1.00 0.00 C ATOM 1328 C MET A 82 73.082 1.213 0.248 1.00 0.00 C ATOM 1329 O MET A 82 73.553 0.487 -0.604 1.00 0.00 O ATOM 1330 CB MET A 82 74.603 1.583 2.214 1.00 0.00 C ATOM 1331 CG MET A 82 74.816 1.247 3.689 1.00 0.00 C ATOM 1332 SD MET A 82 73.428 1.875 4.662 1.00 0.00 S ATOM 1333 CE MET A 82 74.006 3.582 4.782 1.00 0.00 C ATOM 0 H MET A 82 74.475 -0.813 2.134 1.00 0.00 H new ATOM 0 HA MET A 82 72.436 1.327 2.262 1.00 0.00 H new ATOM 0 HB2 MET A 82 75.443 1.222 1.621 1.00 0.00 H new ATOM 0 HB3 MET A 82 74.557 2.663 2.077 1.00 0.00 H new ATOM 0 HG2 MET A 82 74.904 0.168 3.817 1.00 0.00 H new ATOM 0 HG3 MET A 82 75.749 1.687 4.041 1.00 0.00 H new ATOM 0 HE1 MET A 82 73.400 4.121 5.510 1.00 0.00 H new ATOM 0 HE2 MET A 82 75.049 3.592 5.099 1.00 0.00 H new ATOM 0 HE3 MET A 82 73.919 4.065 3.809 1.00 0.00 H new ATOM 1343 N GLU A 83 72.357 2.252 -0.073 1.00 0.00 N ATOM 1344 CA GLU A 83 72.087 2.563 -1.505 1.00 0.00 C ATOM 1345 C GLU A 83 72.766 3.866 -1.937 1.00 0.00 C ATOM 1346 O GLU A 83 73.203 3.991 -3.059 1.00 0.00 O ATOM 1347 CB GLU A 83 70.576 2.728 -1.576 1.00 0.00 C ATOM 1348 CG GLU A 83 70.190 4.023 -0.857 1.00 0.00 C ATOM 1349 CD GLU A 83 68.668 4.162 -0.822 1.00 0.00 C ATOM 1350 OE1 GLU A 83 68.073 4.212 -1.886 1.00 0.00 O ATOM 1351 OE2 GLU A 83 68.124 4.217 0.268 1.00 0.00 O ATOM 0 H GLU A 83 71.940 2.899 0.597 1.00 0.00 H new ATOM 0 HA GLU A 83 72.470 1.783 -2.162 1.00 0.00 H new ATOM 0 HB2 GLU A 83 70.248 2.760 -2.615 1.00 0.00 H new ATOM 0 HB3 GLU A 83 70.080 1.876 -1.111 1.00 0.00 H new ATOM 0 HG2 GLU A 83 70.587 4.019 0.158 1.00 0.00 H new ATOM 0 HG3 GLU A 83 70.631 4.879 -1.368 1.00 0.00 H new ATOM 1358 N GLU A 84 72.834 4.844 -1.075 1.00 0.00 N ATOM 1359 CA GLU A 84 73.472 6.136 -1.470 1.00 0.00 C ATOM 1360 C GLU A 84 74.343 6.696 -0.341 1.00 0.00 C ATOM 1361 O GLU A 84 74.841 7.796 -0.431 1.00 0.00 O ATOM 1362 CB GLU A 84 72.299 7.069 -1.768 1.00 0.00 C ATOM 1363 CG GLU A 84 71.639 6.627 -3.073 1.00 0.00 C ATOM 1364 CD GLU A 84 70.592 7.658 -3.501 1.00 0.00 C ATOM 1365 OE1 GLU A 84 70.340 8.574 -2.737 1.00 0.00 O ATOM 1366 OE2 GLU A 84 70.064 7.514 -4.591 1.00 0.00 O ATOM 0 H GLU A 84 72.478 4.807 -0.120 1.00 0.00 H new ATOM 0 HA GLU A 84 74.137 6.018 -2.326 1.00 0.00 H new ATOM 0 HB2 GLU A 84 71.577 7.041 -0.952 1.00 0.00 H new ATOM 0 HB3 GLU A 84 72.647 8.099 -1.851 1.00 0.00 H new ATOM 0 HG2 GLU A 84 72.393 6.516 -3.853 1.00 0.00 H new ATOM 0 HG3 GLU A 84 71.170 5.652 -2.942 1.00 0.00 H new ATOM 1373 N GLU A 85 74.531 5.958 0.723 1.00 0.00 N ATOM 1374 CA GLU A 85 75.375 6.477 1.843 1.00 0.00 C ATOM 1375 C GLU A 85 76.225 5.361 2.458 1.00 0.00 C ATOM 1376 O GLU A 85 75.874 4.802 3.474 1.00 0.00 O ATOM 1377 CB GLU A 85 74.378 7.010 2.873 1.00 0.00 C ATOM 1378 CG GLU A 85 73.625 8.200 2.279 1.00 0.00 C ATOM 1379 CD GLU A 85 72.534 8.658 3.246 1.00 0.00 C ATOM 1380 OE1 GLU A 85 71.822 7.806 3.750 1.00 0.00 O ATOM 1381 OE2 GLU A 85 72.426 9.854 3.462 1.00 0.00 O ATOM 0 H GLU A 85 74.141 5.026 0.865 1.00 0.00 H new ATOM 0 HA GLU A 85 76.071 7.242 1.500 1.00 0.00 H new ATOM 0 HB2 GLU A 85 73.676 6.226 3.156 1.00 0.00 H new ATOM 0 HB3 GLU A 85 74.901 7.312 3.780 1.00 0.00 H new ATOM 0 HG2 GLU A 85 74.317 9.019 2.083 1.00 0.00 H new ATOM 0 HG3 GLU A 85 73.182 7.921 1.323 1.00 0.00 H new ATOM 1388 N ASP A 86 77.347 5.039 1.873 1.00 0.00 N ATOM 1389 CA ASP A 86 78.202 3.976 2.459 1.00 0.00 C ATOM 1390 C ASP A 86 79.505 4.615 2.955 1.00 0.00 C ATOM 1391 O ASP A 86 79.939 5.633 2.441 1.00 0.00 O ATOM 1392 CB ASP A 86 78.433 2.996 1.309 1.00 0.00 C ATOM 1393 CG ASP A 86 79.048 1.709 1.843 1.00 0.00 C ATOM 1394 OD1 ASP A 86 79.471 1.705 2.988 1.00 0.00 O ATOM 1395 OD2 ASP A 86 79.080 0.747 1.094 1.00 0.00 O ATOM 0 H ASP A 86 77.705 5.466 1.018 1.00 0.00 H new ATOM 0 HA ASP A 86 77.761 3.465 3.315 1.00 0.00 H new ATOM 0 HB2 ASP A 86 77.489 2.779 0.809 1.00 0.00 H new ATOM 0 HB3 ASP A 86 79.092 3.443 0.565 1.00 0.00 H new ATOM 1400 N VAL A 87 80.122 4.069 3.968 1.00 0.00 N ATOM 1401 CA VAL A 87 81.370 4.710 4.475 1.00 0.00 C ATOM 1402 C VAL A 87 82.424 3.678 4.900 1.00 0.00 C ATOM 1403 O VAL A 87 82.122 2.677 5.521 1.00 0.00 O ATOM 1404 CB VAL A 87 80.909 5.530 5.682 1.00 0.00 C ATOM 1405 CG1 VAL A 87 80.744 4.610 6.892 1.00 0.00 C ATOM 1406 CG2 VAL A 87 81.944 6.610 6.004 1.00 0.00 C ATOM 0 H VAL A 87 79.825 3.225 4.458 1.00 0.00 H new ATOM 0 HA VAL A 87 81.850 5.312 3.703 1.00 0.00 H new ATOM 0 HB VAL A 87 79.955 6.003 5.448 1.00 0.00 H new ATOM 0 HG11 VAL A 87 80.416 5.195 7.751 1.00 0.00 H new ATOM 0 HG12 VAL A 87 80.001 3.845 6.668 1.00 0.00 H new ATOM 0 HG13 VAL A 87 81.698 4.134 7.120 1.00 0.00 H new ATOM 0 HG21 VAL A 87 81.609 7.190 6.864 1.00 0.00 H new ATOM 0 HG22 VAL A 87 82.901 6.140 6.233 1.00 0.00 H new ATOM 0 HG23 VAL A 87 82.060 7.270 5.145 1.00 0.00 H new ATOM 1416 N ILE A 88 83.668 3.954 4.597 1.00 0.00 N ATOM 1417 CA ILE A 88 84.782 3.046 5.003 1.00 0.00 C ATOM 1418 C ILE A 88 85.972 3.879 5.469 1.00 0.00 C ATOM 1419 O ILE A 88 86.286 4.898 4.894 1.00 0.00 O ATOM 1420 CB ILE A 88 85.198 2.265 3.753 1.00 0.00 C ATOM 1421 CG1 ILE A 88 84.133 1.242 3.386 1.00 0.00 C ATOM 1422 CG2 ILE A 88 86.511 1.528 4.042 1.00 0.00 C ATOM 1423 CD1 ILE A 88 83.625 1.515 1.967 1.00 0.00 C ATOM 0 H ILE A 88 83.962 4.782 4.078 1.00 0.00 H new ATOM 0 HA ILE A 88 84.467 2.383 5.809 1.00 0.00 H new ATOM 0 HB ILE A 88 85.323 2.963 2.925 1.00 0.00 H new ATOM 0 HG12 ILE A 88 84.545 0.235 3.448 1.00 0.00 H new ATOM 0 HG13 ILE A 88 83.307 1.292 4.095 1.00 0.00 H new ATOM 0 HG21 ILE A 88 86.816 0.968 3.158 1.00 0.00 H new ATOM 0 HG22 ILE A 88 87.285 2.251 4.299 1.00 0.00 H new ATOM 0 HG23 ILE A 88 86.366 0.840 4.875 1.00 0.00 H new ATOM 0 HD11 ILE A 88 82.862 0.781 1.706 1.00 0.00 H new ATOM 0 HD12 ILE A 88 83.196 2.516 1.920 1.00 0.00 H new ATOM 0 HD13 ILE A 88 84.454 1.442 1.263 1.00 0.00 H new ATOM 1435 N GLU A 89 86.669 3.432 6.463 1.00 0.00 N ATOM 1436 CA GLU A 89 87.872 4.177 6.905 1.00 0.00 C ATOM 1437 C GLU A 89 89.066 3.256 6.685 1.00 0.00 C ATOM 1438 O GLU A 89 89.024 2.098 7.041 1.00 0.00 O ATOM 1439 CB GLU A 89 87.679 4.464 8.399 1.00 0.00 C ATOM 1440 CG GLU A 89 86.455 5.364 8.610 1.00 0.00 C ATOM 1441 CD GLU A 89 85.190 4.510 8.713 1.00 0.00 C ATOM 1442 OE1 GLU A 89 85.285 3.315 8.496 1.00 0.00 O ATOM 1443 OE2 GLU A 89 84.145 5.069 9.009 1.00 0.00 O ATOM 0 H GLU A 89 86.461 2.584 6.990 1.00 0.00 H new ATOM 0 HA GLU A 89 88.028 5.111 6.365 1.00 0.00 H new ATOM 0 HB2 GLU A 89 87.550 3.528 8.943 1.00 0.00 H new ATOM 0 HB3 GLU A 89 88.569 4.947 8.802 1.00 0.00 H new ATOM 0 HG2 GLU A 89 86.580 5.955 9.517 1.00 0.00 H new ATOM 0 HG3 GLU A 89 86.363 6.067 7.782 1.00 0.00 H new ATOM 1450 N VAL A 90 90.128 3.723 6.099 1.00 0.00 N ATOM 1451 CA VAL A 90 91.270 2.794 5.890 1.00 0.00 C ATOM 1452 C VAL A 90 92.487 3.247 6.674 1.00 0.00 C ATOM 1453 O VAL A 90 92.774 4.419 6.793 1.00 0.00 O ATOM 1454 CB VAL A 90 91.604 2.764 4.385 1.00 0.00 C ATOM 1455 CG1 VAL A 90 91.231 1.410 3.805 1.00 0.00 C ATOM 1456 CG2 VAL A 90 90.840 3.826 3.618 1.00 0.00 C ATOM 0 H VAL A 90 90.256 4.678 5.764 1.00 0.00 H new ATOM 0 HA VAL A 90 90.994 1.800 6.241 1.00 0.00 H new ATOM 0 HB VAL A 90 92.673 2.954 4.287 1.00 0.00 H new ATOM 0 HG11 VAL A 90 91.468 1.392 2.741 1.00 0.00 H new ATOM 0 HG12 VAL A 90 91.793 0.628 4.315 1.00 0.00 H new ATOM 0 HG13 VAL A 90 90.163 1.237 3.942 1.00 0.00 H new ATOM 0 HG21 VAL A 90 91.103 3.772 2.562 1.00 0.00 H new ATOM 0 HG22 VAL A 90 89.769 3.659 3.734 1.00 0.00 H new ATOM 0 HG23 VAL A 90 91.098 4.811 4.006 1.00 0.00 H new ATOM 1466 N TYR A 91 93.224 2.312 7.184 1.00 0.00 N ATOM 1467 CA TYR A 91 94.451 2.670 7.931 1.00 0.00 C ATOM 1468 C TYR A 91 95.648 2.233 7.089 1.00 0.00 C ATOM 1469 O TYR A 91 95.838 1.063 6.824 1.00 0.00 O ATOM 1470 CB TYR A 91 94.360 1.895 9.244 1.00 0.00 C ATOM 1471 CG TYR A 91 93.153 2.381 10.012 1.00 0.00 C ATOM 1472 CD1 TYR A 91 91.897 1.807 9.781 1.00 0.00 C ATOM 1473 CD2 TYR A 91 93.286 3.412 10.947 1.00 0.00 C ATOM 1474 CE1 TYR A 91 90.776 2.266 10.484 1.00 0.00 C ATOM 1475 CE2 TYR A 91 92.166 3.869 11.649 1.00 0.00 C ATOM 1476 CZ TYR A 91 90.912 3.296 11.419 1.00 0.00 C ATOM 1477 OH TYR A 91 89.807 3.749 12.112 1.00 0.00 O ATOM 0 H TYR A 91 93.030 1.313 7.116 1.00 0.00 H new ATOM 0 HA TYR A 91 94.559 3.736 8.133 1.00 0.00 H new ATOM 0 HB2 TYR A 91 94.277 0.826 9.047 1.00 0.00 H new ATOM 0 HB3 TYR A 91 95.266 2.041 9.832 1.00 0.00 H new ATOM 0 HD1 TYR A 91 91.793 1.010 9.060 1.00 0.00 H new ATOM 0 HD2 TYR A 91 94.254 3.856 11.127 1.00 0.00 H new ATOM 0 HE1 TYR A 91 89.807 1.824 10.304 1.00 0.00 H new ATOM 0 HE2 TYR A 91 92.270 4.666 12.370 1.00 0.00 H new ATOM 0 HH TYR A 91 90.076 4.467 12.723 1.00 0.00 H new ATOM 1487 N GLN A 92 96.424 3.171 6.630 1.00 0.00 N ATOM 1488 CA GLN A 92 97.582 2.825 5.757 1.00 0.00 C ATOM 1489 C GLN A 92 98.915 2.971 6.493 1.00 0.00 C ATOM 1490 O GLN A 92 99.132 3.914 7.228 1.00 0.00 O ATOM 1491 CB GLN A 92 97.518 3.841 4.624 1.00 0.00 C ATOM 1492 CG GLN A 92 96.192 3.705 3.883 1.00 0.00 C ATOM 1493 CD GLN A 92 96.353 4.255 2.470 1.00 0.00 C ATOM 1494 OE1 GLN A 92 97.400 4.110 1.867 1.00 0.00 O ATOM 1495 NE2 GLN A 92 95.359 4.885 1.912 1.00 0.00 N ATOM 0 H GLN A 92 96.308 4.166 6.821 1.00 0.00 H new ATOM 0 HA GLN A 92 97.527 1.790 5.421 1.00 0.00 H new ATOM 0 HB2 GLN A 92 97.621 4.850 5.022 1.00 0.00 H new ATOM 0 HB3 GLN A 92 98.348 3.684 3.935 1.00 0.00 H new ATOM 0 HG2 GLN A 92 95.886 2.659 3.847 1.00 0.00 H new ATOM 0 HG3 GLN A 92 95.408 4.248 4.411 1.00 0.00 H new ATOM 0 HE21 GLN A 92 94.482 5.005 2.419 1.00 0.00 H new ATOM 0 HE22 GLN A 92 95.457 5.258 0.968 1.00 0.00 H new ATOM 1504 N GLU A 93 99.819 2.053 6.278 1.00 0.00 N ATOM 1505 CA GLU A 93 101.151 2.144 6.942 1.00 0.00 C ATOM 1506 C GLU A 93 102.232 2.560 5.936 1.00 0.00 C ATOM 1507 O GLU A 93 103.252 3.114 6.302 1.00 0.00 O ATOM 1508 CB GLU A 93 101.436 0.737 7.462 1.00 0.00 C ATOM 1509 CG GLU A 93 102.753 0.752 8.242 1.00 0.00 C ATOM 1510 CD GLU A 93 103.109 -0.664 8.688 1.00 0.00 C ATOM 1511 OE1 GLU A 93 102.220 -1.499 8.711 1.00 0.00 O ATOM 1512 OE2 GLU A 93 104.266 -0.890 8.996 1.00 0.00 O ATOM 0 H GLU A 93 99.692 1.243 5.671 1.00 0.00 H new ATOM 0 HA GLU A 93 101.153 2.889 7.738 1.00 0.00 H new ATOM 0 HB2 GLU A 93 100.622 0.401 8.104 1.00 0.00 H new ATOM 0 HB3 GLU A 93 101.498 0.034 6.631 1.00 0.00 H new ATOM 0 HG2 GLU A 93 103.550 1.158 7.619 1.00 0.00 H new ATOM 0 HG3 GLU A 93 102.664 1.405 9.110 1.00 0.00 H new ATOM 1519 N GLN A 94 102.026 2.290 4.675 1.00 0.00 N ATOM 1520 CA GLN A 94 103.052 2.664 3.657 1.00 0.00 C ATOM 1521 C GLN A 94 102.395 3.367 2.470 1.00 0.00 C ATOM 1522 O GLN A 94 101.268 3.081 2.109 1.00 0.00 O ATOM 1523 CB GLN A 94 103.677 1.337 3.229 1.00 0.00 C ATOM 1524 CG GLN A 94 104.347 0.701 4.443 1.00 0.00 C ATOM 1525 CD GLN A 94 105.628 1.464 4.755 1.00 0.00 C ATOM 1526 OE1 GLN A 94 105.808 1.951 5.854 1.00 0.00 O ATOM 1527 NE2 GLN A 94 106.529 1.600 3.819 1.00 0.00 N ATOM 0 H GLN A 94 101.195 1.828 4.306 1.00 0.00 H new ATOM 0 HA GLN A 94 103.796 3.356 4.051 1.00 0.00 H new ATOM 0 HB2 GLN A 94 102.913 0.672 2.826 1.00 0.00 H new ATOM 0 HB3 GLN A 94 104.407 1.501 2.436 1.00 0.00 H new ATOM 0 HG2 GLN A 94 103.675 0.726 5.301 1.00 0.00 H new ATOM 0 HG3 GLN A 94 104.571 -0.347 4.244 1.00 0.00 H new ATOM 0 HE21 GLN A 94 106.374 1.190 2.898 1.00 0.00 H new ATOM 0 HE22 GLN A 94 107.388 2.117 4.009 1.00 0.00 H new ATOM 1536 N THR A 95 103.086 4.293 1.869 1.00 0.00 N ATOM 1537 CA THR A 95 102.504 5.026 0.716 1.00 0.00 C ATOM 1538 C THR A 95 103.138 4.552 -0.598 1.00 0.00 C ATOM 1539 O THR A 95 102.663 4.860 -1.674 1.00 0.00 O ATOM 1540 CB THR A 95 102.845 6.489 1.001 1.00 0.00 C ATOM 1541 OG1 THR A 95 104.252 6.679 0.893 1.00 0.00 O ATOM 1542 CG2 THR A 95 102.397 6.836 2.422 1.00 0.00 C ATOM 0 H THR A 95 104.032 4.574 2.129 1.00 0.00 H new ATOM 0 HA THR A 95 101.432 4.865 0.605 1.00 0.00 H new ATOM 0 HB THR A 95 102.336 7.132 0.283 1.00 0.00 H new ATOM 0 HG1 THR A 95 104.470 7.617 1.074 1.00 0.00 H new ATOM 0 HG21 THR A 95 102.636 7.878 2.635 1.00 0.00 H new ATOM 0 HG22 THR A 95 101.321 6.685 2.511 1.00 0.00 H new ATOM 0 HG23 THR A 95 102.914 6.193 3.134 1.00 0.00 H new ATOM 1550 N GLY A 96 104.199 3.799 -0.514 1.00 0.00 N ATOM 1551 CA GLY A 96 104.859 3.296 -1.752 1.00 0.00 C ATOM 1552 C GLY A 96 105.901 4.306 -2.222 1.00 0.00 C ATOM 1553 O GLY A 96 105.947 5.428 -1.761 1.00 0.00 O ATOM 0 H GLY A 96 104.639 3.509 0.360 1.00 0.00 H new ATOM 0 HA2 GLY A 96 105.332 2.333 -1.559 1.00 0.00 H new ATOM 0 HA3 GLY A 96 104.116 3.135 -2.533 1.00 0.00 H new ATOM 1557 N GLY A 97 106.739 3.919 -3.140 1.00 0.00 N ATOM 1558 CA GLY A 97 107.772 4.858 -3.640 1.00 0.00 C ATOM 1559 C GLY A 97 108.423 4.264 -4.885 1.00 0.00 C ATOM 1560 O GLY A 97 108.402 3.068 -5.099 1.00 0.00 O ATOM 0 H GLY A 97 106.751 2.992 -3.565 1.00 0.00 H new ATOM 0 HA2 GLY A 97 107.322 5.823 -3.874 1.00 0.00 H new ATOM 0 HA3 GLY A 97 108.523 5.035 -2.871 1.00 0.00 H new ATOM 1564 N HIS A 98 108.998 5.088 -5.708 1.00 0.00 N ATOM 1565 CA HIS A 98 109.649 4.568 -6.941 1.00 0.00 C ATOM 1566 C HIS A 98 110.993 3.915 -6.612 1.00 0.00 C ATOM 1567 O HIS A 98 111.604 3.281 -7.448 1.00 0.00 O ATOM 1568 CB HIS A 98 109.877 5.800 -7.808 1.00 0.00 C ATOM 1569 CG HIS A 98 110.816 6.725 -7.082 1.00 0.00 C ATOM 1570 ND1 HIS A 98 110.365 7.706 -6.212 1.00 0.00 N ATOM 1571 CD2 HIS A 98 112.185 6.795 -7.048 1.00 0.00 C ATOM 1572 CE1 HIS A 98 111.446 8.314 -5.691 1.00 0.00 C ATOM 1573 NE2 HIS A 98 112.581 7.798 -6.168 1.00 0.00 N ATOM 0 H HIS A 98 109.047 6.099 -5.583 1.00 0.00 H new ATOM 0 HA HIS A 98 109.038 3.811 -7.432 1.00 0.00 H new ATOM 0 HB2 HIS A 98 110.297 5.513 -8.772 1.00 0.00 H new ATOM 0 HB3 HIS A 98 108.931 6.302 -8.010 1.00 0.00 H new ATOM 0 HD2 HIS A 98 112.854 6.167 -7.618 1.00 0.00 H new ATOM 0 HE1 HIS A 98 111.401 9.121 -4.974 1.00 0.00 H new ATOM 0 HE2 HIS A 98 113.534 8.079 -5.937 1.00 0.00 H new ATOM 1581 N SER A 99 111.469 4.081 -5.412 1.00 0.00 N ATOM 1582 CA SER A 99 112.787 3.487 -5.049 1.00 0.00 C ATOM 1583 C SER A 99 112.659 1.977 -4.813 1.00 0.00 C ATOM 1584 O SER A 99 111.602 1.474 -4.494 1.00 0.00 O ATOM 1585 CB SER A 99 113.193 4.207 -3.766 1.00 0.00 C ATOM 1586 OG SER A 99 112.232 3.944 -2.753 1.00 0.00 O ATOM 0 H SER A 99 111.005 4.601 -4.667 1.00 0.00 H new ATOM 0 HA SER A 99 113.527 3.607 -5.841 1.00 0.00 H new ATOM 0 HB2 SER A 99 114.179 3.871 -3.444 1.00 0.00 H new ATOM 0 HB3 SER A 99 113.265 5.280 -3.945 1.00 0.00 H new ATOM 0 HG SER A 99 112.492 4.404 -1.928 1.00 0.00 H new ATOM 1592 N THR A 100 113.739 1.256 -4.967 1.00 0.00 N ATOM 1593 CA THR A 100 113.704 -0.226 -4.755 1.00 0.00 C ATOM 1594 C THR A 100 113.292 -0.564 -3.314 1.00 0.00 C ATOM 1595 O THR A 100 112.595 -1.530 -3.073 1.00 0.00 O ATOM 1596 CB THR A 100 115.136 -0.691 -5.036 1.00 0.00 C ATOM 1597 OG1 THR A 100 115.494 -0.324 -6.361 1.00 0.00 O ATOM 1598 CG2 THR A 100 115.237 -2.212 -4.884 1.00 0.00 C ATOM 0 H THR A 100 114.650 1.630 -5.232 1.00 0.00 H new ATOM 0 HA THR A 100 112.976 -0.717 -5.401 1.00 0.00 H new ATOM 0 HB THR A 100 115.812 -0.219 -4.324 1.00 0.00 H new ATOM 0 HG1 THR A 100 116.411 -0.618 -6.546 1.00 0.00 H new ATOM 0 HG21 THR A 100 116.260 -2.531 -5.086 1.00 0.00 H new ATOM 0 HG22 THR A 100 114.963 -2.495 -3.868 1.00 0.00 H new ATOM 0 HG23 THR A 100 114.560 -2.694 -5.590 1.00 0.00 H new ATOM 1606 N VAL A 101 113.725 0.207 -2.353 1.00 0.00 N ATOM 1607 CA VAL A 101 113.360 -0.097 -0.936 1.00 0.00 C ATOM 1608 C VAL A 101 113.539 -1.595 -0.667 1.00 0.00 C ATOM 1609 O VAL A 101 112.583 -2.328 -0.867 1.00 0.00 O ATOM 1610 CB VAL A 101 111.882 0.275 -0.791 1.00 0.00 C ATOM 1611 CG1 VAL A 101 111.417 -0.065 0.628 1.00 0.00 C ATOM 1612 CG2 VAL A 101 111.672 1.772 -1.052 1.00 0.00 C ATOM 1613 OXT VAL A 101 114.623 -1.985 -0.271 1.00 0.00 O ATOM 0 H VAL A 101 114.313 1.030 -2.485 1.00 0.00 H new ATOM 0 HA VAL A 101 113.986 0.453 -0.234 1.00 0.00 H new ATOM 0 HB VAL A 101 111.302 -0.289 -1.522 1.00 0.00 H new ATOM 0 HG11 VAL A 101 110.365 0.197 0.739 1.00 0.00 H new ATOM 0 HG12 VAL A 101 111.546 -1.132 0.807 1.00 0.00 H new ATOM 0 HG13 VAL A 101 112.009 0.498 1.350 1.00 0.00 H new ATOM 0 HG21 VAL A 101 110.615 2.015 -0.944 1.00 0.00 H new ATOM 0 HG22 VAL A 101 112.253 2.351 -0.335 1.00 0.00 H new ATOM 0 HG23 VAL A 101 111.999 2.014 -2.063 1.00 0.00 H new TER 1623 VAL A 101