USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 581 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 46 THR OG1 : rot -142:sc= 1.62 USER MOD Set 1.2: A 50 THR OG1 : rot -81:sc= 3 USER MOD Set 2.1: A 16 SER OG : rot 42:sc= 0.852 USER MOD Set 2.2: A 28 MET CE :methyl -149:sc= -0.878 (180deg=0) USER MOD Set 2.3: A 36 MET CE :methyl -175:sc= -0.932 (180deg=-0.73) USER MOD Set 3.1: A 3 MET CE :methyl -104:sc= 0 (180deg=0) USER MOD Set 3.2: A 9 THR OG1 : rot -127:sc= 0.636 USER MOD Set 3.3: A 19 HIS : no HD1:sc= 1.22 K(o=1.9,f=-17!) USER MOD Single : A 1 VAL N :NH3+ -176:sc= -0.497 (180deg=-0.554) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -6.09! K(o=-6.1!,f=-2.3) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= -1.68! USER MOD Single : A 13 GLN : amide:sc= 0.601 K(o=0.6,f=-1.3) USER MOD Single : A 17 LYS NZ :NH3+ 174:sc= 0.53 (180deg=0.412) USER MOD Single : A 22 LYS NZ :NH3+ -135:sc= -0.651 (180deg=-2.56!) USER MOD Single : A 25 LYS NZ :NH3+ -176:sc= 1.27 (180deg=1.19) USER MOD Single : A 26 MET CE :methyl -153:sc= -1.11 (180deg=-2.57!) USER MOD Single : A 30 ASN : amide:sc= -1.23! C(o=-1.2!,f=-14!) USER MOD Single : A 31 LYS NZ :NH3+ 166:sc= 0.558 (180deg=0.441) USER MOD Single : A 34 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00389) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -2.94! K(o=-2.9!,f=-0.14) USER MOD Single : A 38 MET CE :methyl -174:sc= -2.72! (180deg=-2.84!) USER MOD Single : A 42 LYS NZ :NH3+ -172:sc=-0.00992 (180deg=-0.0966) USER MOD Single : A 44 MET CE :methyl 159:sc= -0.606 (180deg=-1.59) USER MOD Single : A 51 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.116) USER MOD Single : A 54 MET CE :methyl -165:sc= -0.36 (180deg=-1.12) USER MOD Single : A 55 LYS NZ :NH3+ 167:sc= 1.19 (180deg=0.682) USER MOD Single : A 57 ASN : amide:sc= -0.0561 X(o=-0.056,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= 0.32 K(o=0.32,f=-1.8!) USER MOD Single : A 71 SER OG : rot 140:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 13.584 -0.090 4.696 1.00 2.42 N ATOM 2 CA VAL A 1 12.751 1.135 4.626 1.00 1.98 C ATOM 3 C VAL A 1 12.440 1.671 6.021 1.00 1.83 C ATOM 4 O VAL A 1 12.213 2.870 6.190 1.00 2.26 O ATOM 5 CB VAL A 1 11.423 0.888 3.866 1.00 1.77 C ATOM 6 CG1 VAL A 1 11.694 0.510 2.421 1.00 2.46 C ATOM 7 CG2 VAL A 1 10.590 -0.189 4.546 1.00 1.89 C ATOM 0 H1 VAL A 1 13.836 -0.394 3.734 1.00 2.42 H new ATOM 0 H2 VAL A 1 14.451 0.110 5.235 1.00 2.42 H new ATOM 0 H3 VAL A 1 13.050 -0.847 5.169 1.00 2.42 H new ATOM 0 HA VAL A 1 13.333 1.875 4.077 1.00 1.98 H new ATOM 0 HB VAL A 1 10.854 1.818 3.883 1.00 1.77 H new ATOM 0 HG11 VAL A 1 10.749 0.341 1.906 1.00 2.46 H new ATOM 0 HG12 VAL A 1 12.236 1.318 1.929 1.00 2.46 H new ATOM 0 HG13 VAL A 1 12.292 -0.401 2.389 1.00 2.46 H new ATOM 0 HG21 VAL A 1 9.665 -0.339 3.989 1.00 1.89 H new ATOM 0 HG22 VAL A 1 11.153 -1.122 4.573 1.00 1.89 H new ATOM 0 HG23 VAL A 1 10.354 0.122 5.564 1.00 1.89 H new ATOM 19 N ASP A 2 12.439 0.771 7.015 1.00 1.77 N ATOM 20 CA ASP A 2 12.136 1.113 8.408 1.00 1.63 C ATOM 21 C ASP A 2 10.665 1.481 8.587 1.00 1.22 C ATOM 22 O ASP A 2 10.056 2.127 7.736 1.00 1.60 O ATOM 23 CB ASP A 2 13.042 2.236 8.924 1.00 2.00 C ATOM 24 CG ASP A 2 14.418 1.737 9.302 1.00 2.77 C ATOM 25 OD1 ASP A 2 14.598 1.317 10.464 1.00 3.11 O ATOM 26 OD2 ASP A 2 15.320 1.753 8.440 1.00 3.48 O ATOM 0 H ASP A 2 12.649 -0.217 6.873 1.00 1.77 H new ATOM 0 HA ASP A 2 12.335 0.223 9.005 1.00 1.63 H new ATOM 0 HB2 ASP A 2 13.135 3.005 8.158 1.00 2.00 H new ATOM 0 HB3 ASP A 2 12.577 2.705 9.791 1.00 2.00 H new ATOM 31 N MET A 3 10.097 1.067 9.711 1.00 0.96 N ATOM 32 CA MET A 3 8.663 1.194 9.938 1.00 0.96 C ATOM 33 C MET A 3 8.322 2.416 10.782 1.00 0.91 C ATOM 34 O MET A 3 7.157 2.647 11.104 1.00 1.26 O ATOM 35 CB MET A 3 8.148 -0.064 10.624 1.00 1.43 C ATOM 36 CG MET A 3 8.396 -1.311 9.805 1.00 1.59 C ATOM 37 SD MET A 3 7.550 -1.263 8.215 1.00 2.01 S ATOM 38 CE MET A 3 8.592 -2.365 7.275 1.00 2.17 C ATOM 0 H MET A 3 10.609 0.639 10.483 1.00 0.96 H new ATOM 0 HA MET A 3 8.181 1.321 8.969 1.00 0.96 H new ATOM 0 HB2 MET A 3 8.632 -0.169 11.595 1.00 1.43 H new ATOM 0 HB3 MET A 3 7.079 0.039 10.810 1.00 1.43 H new ATOM 0 HG2 MET A 3 9.467 -1.428 9.641 1.00 1.59 H new ATOM 0 HG3 MET A 3 8.062 -2.184 10.366 1.00 1.59 H new ATOM 0 HE1 MET A 3 9.226 -1.784 6.606 1.00 2.17 H new ATOM 0 HE2 MET A 3 9.217 -2.944 7.955 1.00 2.17 H new ATOM 0 HE3 MET A 3 7.970 -3.042 6.689 1.00 2.17 H new ATOM 48 N SER A 4 9.326 3.208 11.120 1.00 0.78 N ATOM 49 CA SER A 4 9.128 4.341 12.009 1.00 0.78 C ATOM 50 C SER A 4 8.502 5.507 11.254 1.00 0.72 C ATOM 51 O SER A 4 7.709 6.269 11.807 1.00 0.81 O ATOM 52 CB SER A 4 10.466 4.758 12.620 1.00 0.86 C ATOM 53 OG SER A 4 11.146 3.636 13.163 1.00 1.47 O ATOM 0 H SER A 4 10.285 3.088 10.793 1.00 0.78 H new ATOM 0 HA SER A 4 8.449 4.048 12.809 1.00 0.78 H new ATOM 0 HB2 SER A 4 11.086 5.231 11.859 1.00 0.86 H new ATOM 0 HB3 SER A 4 10.298 5.500 13.401 1.00 0.86 H new ATOM 0 HG SER A 4 12.000 3.925 13.547 1.00 1.47 H new ATOM 59 N ASN A 5 8.848 5.625 9.981 1.00 0.64 N ATOM 60 CA ASN A 5 8.348 6.713 9.154 1.00 0.64 C ATOM 61 C ASN A 5 7.159 6.255 8.325 1.00 0.57 C ATOM 62 O ASN A 5 6.613 6.999 7.516 1.00 0.68 O ATOM 63 CB ASN A 5 9.459 7.254 8.245 1.00 0.69 C ATOM 64 CG ASN A 5 9.780 6.380 7.036 1.00 1.19 C ATOM 65 OD1 ASN A 5 10.299 6.874 6.034 1.00 1.89 O ATOM 66 ND2 ASN A 5 9.470 5.090 7.102 1.00 1.24 N ATOM 0 H ASN A 5 9.473 4.980 9.498 1.00 0.64 H new ATOM 0 HA ASN A 5 8.018 7.517 9.812 1.00 0.64 H new ATOM 0 HB2 ASN A 5 9.171 8.245 7.893 1.00 0.69 H new ATOM 0 HB3 ASN A 5 10.366 7.377 8.837 1.00 0.69 H new ATOM 0 HD21 ASN A 5 9.661 4.478 6.308 1.00 1.24 H new ATOM 0 HD22 ASN A 5 9.041 4.711 7.946 1.00 1.24 H new ATOM 73 N VAL A 6 6.790 5.012 8.530 1.00 0.44 N ATOM 74 CA VAL A 6 5.702 4.395 7.798 1.00 0.40 C ATOM 75 C VAL A 6 4.402 4.523 8.581 1.00 0.40 C ATOM 76 O VAL A 6 4.364 4.221 9.774 1.00 0.47 O ATOM 77 CB VAL A 6 6.017 2.911 7.537 1.00 0.43 C ATOM 78 CG1 VAL A 6 4.824 2.200 6.933 1.00 0.98 C ATOM 79 CG2 VAL A 6 7.223 2.772 6.626 1.00 1.25 C ATOM 0 H VAL A 6 7.235 4.396 9.210 1.00 0.44 H new ATOM 0 HA VAL A 6 5.587 4.906 6.842 1.00 0.40 H new ATOM 0 HB VAL A 6 6.246 2.445 8.496 1.00 0.43 H new ATOM 0 HG11 VAL A 6 5.074 1.153 6.759 1.00 0.98 H new ATOM 0 HG12 VAL A 6 3.978 2.262 7.618 1.00 0.98 H new ATOM 0 HG13 VAL A 6 4.560 2.672 5.987 1.00 0.98 H new ATOM 0 HG21 VAL A 6 7.429 1.716 6.454 1.00 1.25 H new ATOM 0 HG22 VAL A 6 7.018 3.262 5.674 1.00 1.25 H new ATOM 0 HG23 VAL A 6 8.089 3.239 7.095 1.00 1.25 H new ATOM 89 N VAL A 7 3.345 4.988 7.927 1.00 0.38 N ATOM 90 CA VAL A 7 2.050 5.110 8.600 1.00 0.41 C ATOM 91 C VAL A 7 1.178 3.866 8.393 1.00 0.37 C ATOM 92 O VAL A 7 0.323 3.557 9.223 1.00 0.42 O ATOM 93 CB VAL A 7 1.261 6.379 8.180 1.00 0.52 C ATOM 94 CG1 VAL A 7 1.968 7.629 8.673 1.00 0.94 C ATOM 95 CG2 VAL A 7 1.062 6.455 6.675 1.00 1.03 C ATOM 0 H VAL A 7 3.352 5.283 6.951 1.00 0.38 H new ATOM 0 HA VAL A 7 2.286 5.204 9.660 1.00 0.41 H new ATOM 0 HB VAL A 7 0.276 6.314 8.642 1.00 0.52 H new ATOM 0 HG11 VAL A 7 1.402 8.510 8.370 1.00 0.94 H new ATOM 0 HG12 VAL A 7 2.042 7.601 9.760 1.00 0.94 H new ATOM 0 HG13 VAL A 7 2.968 7.675 8.243 1.00 0.94 H new ATOM 0 HG21 VAL A 7 0.505 7.359 6.427 1.00 1.03 H new ATOM 0 HG22 VAL A 7 2.033 6.480 6.180 1.00 1.03 H new ATOM 0 HG23 VAL A 7 0.505 5.581 6.337 1.00 1.03 H new ATOM 105 N LYS A 8 1.409 3.145 7.301 1.00 0.34 N ATOM 106 CA LYS A 8 0.657 1.923 7.010 1.00 0.35 C ATOM 107 C LYS A 8 1.364 1.105 5.943 1.00 0.31 C ATOM 108 O LYS A 8 1.944 1.656 5.015 1.00 0.35 O ATOM 109 CB LYS A 8 -0.766 2.269 6.546 1.00 0.44 C ATOM 110 CG LYS A 8 -1.603 1.064 6.128 1.00 0.50 C ATOM 111 CD LYS A 8 -1.953 0.161 7.302 1.00 0.57 C ATOM 112 CE LYS A 8 -2.801 -1.022 6.854 1.00 1.01 C ATOM 113 NZ LYS A 8 -3.200 -1.893 7.990 1.00 1.41 N ATOM 0 H LYS A 8 2.111 3.383 6.600 1.00 0.34 H new ATOM 0 HA LYS A 8 0.597 1.332 7.924 1.00 0.35 H new ATOM 0 HB2 LYS A 8 -1.281 2.792 7.352 1.00 0.44 H new ATOM 0 HB3 LYS A 8 -0.703 2.961 5.706 1.00 0.44 H new ATOM 0 HG2 LYS A 8 -2.521 1.411 5.654 1.00 0.50 H new ATOM 0 HG3 LYS A 8 -1.057 0.488 5.381 1.00 0.50 H new ATOM 0 HD2 LYS A 8 -1.038 -0.201 7.771 1.00 0.57 H new ATOM 0 HD3 LYS A 8 -2.493 0.734 8.056 1.00 0.57 H new ATOM 0 HE2 LYS A 8 -3.695 -0.655 6.349 1.00 1.01 H new ATOM 0 HE3 LYS A 8 -2.243 -1.611 6.126 1.00 1.01 H new ATOM 0 HZ1 LYS A 8 -3.775 -2.684 7.636 1.00 1.41 H new ATOM 0 HZ2 LYS A 8 -2.349 -2.266 8.457 1.00 1.41 H new ATOM 0 HZ3 LYS A 8 -3.756 -1.340 8.673 1.00 1.41 H new ATOM 127 N THR A 9 1.324 -0.205 6.091 1.00 0.33 N ATOM 128 CA THR A 9 1.919 -1.102 5.124 1.00 0.32 C ATOM 129 C THR A 9 0.885 -2.115 4.627 1.00 0.35 C ATOM 130 O THR A 9 0.044 -2.590 5.393 1.00 0.39 O ATOM 131 CB THR A 9 3.139 -1.816 5.737 1.00 0.33 C ATOM 132 OG1 THR A 9 4.170 -0.862 6.013 1.00 0.40 O ATOM 133 CG2 THR A 9 3.668 -2.921 4.830 1.00 0.33 C ATOM 0 H THR A 9 0.880 -0.674 6.881 1.00 0.33 H new ATOM 0 HA THR A 9 2.259 -0.519 4.268 1.00 0.32 H new ATOM 0 HB THR A 9 2.819 -2.286 6.667 1.00 0.33 H new ATOM 0 HG1 THR A 9 5.009 -1.158 5.602 1.00 0.40 H new ATOM 0 HG21 THR A 9 4.528 -3.398 5.301 1.00 0.33 H new ATOM 0 HG22 THR A 9 2.886 -3.663 4.666 1.00 0.33 H new ATOM 0 HG23 THR A 9 3.969 -2.494 3.873 1.00 0.33 H new ATOM 141 N TYR A 10 0.942 -2.409 3.336 1.00 0.37 N ATOM 142 CA TYR A 10 0.016 -3.322 2.699 1.00 0.42 C ATOM 143 C TYR A 10 0.691 -4.582 2.247 1.00 0.38 C ATOM 144 O TYR A 10 1.716 -4.558 1.567 1.00 0.35 O ATOM 145 CB TYR A 10 -0.690 -2.633 1.541 1.00 0.47 C ATOM 146 CG TYR A 10 -1.696 -1.651 2.050 1.00 0.60 C ATOM 147 CD1 TYR A 10 -2.703 -2.091 2.881 1.00 0.70 C ATOM 148 CD2 TYR A 10 -1.624 -0.300 1.749 1.00 0.68 C ATOM 149 CE1 TYR A 10 -3.623 -1.227 3.402 1.00 0.84 C ATOM 150 CE2 TYR A 10 -2.544 0.587 2.274 1.00 0.82 C ATOM 151 CZ TYR A 10 -3.545 0.119 3.100 1.00 0.91 C ATOM 152 OH TYR A 10 -4.465 1.000 3.627 1.00 1.06 O ATOM 0 H TYR A 10 1.637 -2.016 2.701 1.00 0.37 H new ATOM 0 HA TYR A 10 -0.729 -3.611 3.440 1.00 0.42 H new ATOM 0 HB2 TYR A 10 0.041 -2.122 0.914 1.00 0.47 H new ATOM 0 HB3 TYR A 10 -1.183 -3.376 0.914 1.00 0.47 H new ATOM 0 HD1 TYR A 10 -2.766 -3.141 3.125 1.00 0.70 H new ATOM 0 HD2 TYR A 10 -0.842 0.063 1.098 1.00 0.68 H new ATOM 0 HE1 TYR A 10 -4.408 -1.594 4.047 1.00 0.84 H new ATOM 0 HE2 TYR A 10 -2.480 1.639 2.039 1.00 0.82 H new ATOM 0 HH TYR A 10 -4.265 1.907 3.315 1.00 1.06 H new ATOM 162 N ASP A 11 0.091 -5.676 2.651 1.00 0.42 N ATOM 163 CA ASP A 11 0.616 -6.997 2.349 1.00 0.42 C ATOM 164 C ASP A 11 -0.175 -7.618 1.208 1.00 0.39 C ATOM 165 O ASP A 11 -1.357 -7.915 1.343 1.00 0.40 O ATOM 166 CB ASP A 11 0.586 -7.886 3.593 1.00 0.52 C ATOM 167 CG ASP A 11 1.973 -8.342 4.018 1.00 1.25 C ATOM 168 OD1 ASP A 11 2.829 -7.485 4.312 1.00 1.69 O ATOM 169 OD2 ASP A 11 2.212 -9.567 4.058 1.00 1.94 O ATOM 0 H ASP A 11 -0.771 -5.682 3.196 1.00 0.42 H new ATOM 0 HA ASP A 11 1.656 -6.904 2.036 1.00 0.42 H new ATOM 0 HB2 ASP A 11 0.119 -7.341 4.414 1.00 0.52 H new ATOM 0 HB3 ASP A 11 -0.035 -8.760 3.396 1.00 0.52 H new ATOM 174 N LEU A 12 0.510 -7.821 0.100 1.00 0.38 N ATOM 175 CA LEU A 12 -0.117 -8.180 -1.178 1.00 0.41 C ATOM 176 C LEU A 12 -0.591 -9.631 -1.262 1.00 0.54 C ATOM 177 O LEU A 12 -1.090 -10.048 -2.309 1.00 1.50 O ATOM 178 CB LEU A 12 0.855 -7.920 -2.327 1.00 0.40 C ATOM 179 CG LEU A 12 1.160 -6.442 -2.609 1.00 0.46 C ATOM 180 CD1 LEU A 12 1.603 -6.261 -4.053 1.00 1.04 C ATOM 181 CD2 LEU A 12 -0.050 -5.567 -2.311 1.00 1.04 C ATOM 0 H LEU A 12 1.526 -7.743 0.050 1.00 0.38 H new ATOM 0 HA LEU A 12 -1.004 -7.551 -1.252 1.00 0.41 H new ATOM 0 HB2 LEU A 12 1.793 -8.432 -2.110 1.00 0.40 H new ATOM 0 HB3 LEU A 12 0.448 -8.369 -3.233 1.00 0.40 H new ATOM 0 HG LEU A 12 1.971 -6.131 -1.951 1.00 0.46 H new ATOM 0 HD11 LEU A 12 1.816 -5.208 -4.239 1.00 1.04 H new ATOM 0 HD12 LEU A 12 2.502 -6.851 -4.235 1.00 1.04 H new ATOM 0 HD13 LEU A 12 0.809 -6.594 -4.722 1.00 1.04 H new ATOM 0 HD21 LEU A 12 0.194 -4.525 -2.519 1.00 1.04 H new ATOM 0 HD22 LEU A 12 -0.886 -5.876 -2.938 1.00 1.04 H new ATOM 0 HD23 LEU A 12 -0.325 -5.672 -1.262 1.00 1.04 H new ATOM 193 N GLN A 13 -0.373 -10.397 -0.197 1.00 0.65 N ATOM 194 CA GLN A 13 -0.804 -11.808 -0.100 1.00 0.62 C ATOM 195 C GLN A 13 0.298 -12.729 -0.603 1.00 0.62 C ATOM 196 O GLN A 13 0.486 -13.834 -0.090 1.00 0.74 O ATOM 197 CB GLN A 13 -2.100 -12.118 -0.859 1.00 0.69 C ATOM 198 CG GLN A 13 -3.365 -11.711 -0.136 1.00 0.89 C ATOM 199 CD GLN A 13 -4.615 -12.220 -0.837 1.00 1.08 C ATOM 200 OE1 GLN A 13 -4.586 -13.249 -1.511 1.00 1.68 O ATOM 201 NE2 GLN A 13 -5.721 -11.512 -0.674 1.00 1.61 N ATOM 0 H GLN A 13 0.111 -10.063 0.636 1.00 0.65 H new ATOM 0 HA GLN A 13 -1.006 -11.982 0.957 1.00 0.62 H new ATOM 0 HB2 GLN A 13 -2.070 -11.613 -1.824 1.00 0.69 H new ATOM 0 HB3 GLN A 13 -2.141 -13.188 -1.061 1.00 0.69 H new ATOM 0 HG2 GLN A 13 -3.339 -12.097 0.883 1.00 0.89 H new ATOM 0 HG3 GLN A 13 -3.407 -10.624 -0.065 1.00 0.89 H new ATOM 0 HE21 GLN A 13 -5.705 -10.664 -0.107 1.00 1.61 H new ATOM 0 HE22 GLN A 13 -6.590 -11.814 -1.115 1.00 1.61 H new ATOM 210 N ASP A 14 1.035 -12.260 -1.601 1.00 0.55 N ATOM 211 CA ASP A 14 2.126 -13.031 -2.183 1.00 0.64 C ATOM 212 C ASP A 14 3.367 -12.810 -1.346 1.00 0.54 C ATOM 213 O ASP A 14 4.238 -13.671 -1.236 1.00 0.70 O ATOM 214 CB ASP A 14 2.410 -12.591 -3.629 1.00 0.80 C ATOM 215 CG ASP A 14 3.419 -11.453 -3.700 1.00 1.46 C ATOM 216 OD1 ASP A 14 3.036 -10.296 -3.436 1.00 2.11 O ATOM 217 OD2 ASP A 14 4.604 -11.726 -3.987 1.00 1.98 O ATOM 0 H ASP A 14 0.896 -11.344 -2.027 1.00 0.55 H new ATOM 0 HA ASP A 14 1.845 -14.084 -2.197 1.00 0.64 H new ATOM 0 HB2 ASP A 14 2.785 -13.442 -4.198 1.00 0.80 H new ATOM 0 HB3 ASP A 14 1.479 -12.278 -4.100 1.00 0.80 H new ATOM 222 N GLY A 15 3.414 -11.637 -0.737 1.00 0.55 N ATOM 223 CA GLY A 15 4.549 -11.275 0.056 1.00 0.73 C ATOM 224 C GLY A 15 4.958 -9.837 -0.101 1.00 0.75 C ATOM 225 O GLY A 15 5.633 -9.290 0.771 1.00 1.28 O ATOM 0 H GLY A 15 2.679 -10.932 -0.783 1.00 0.55 H new ATOM 0 HA2 GLY A 15 4.325 -11.468 1.105 1.00 0.73 H new ATOM 0 HA3 GLY A 15 5.389 -11.915 -0.214 1.00 0.73 H new ATOM 229 N SER A 16 4.583 -9.225 -1.216 1.00 0.37 N ATOM 230 CA SER A 16 4.990 -7.859 -1.472 1.00 0.35 C ATOM 231 C SER A 16 4.387 -6.927 -0.446 1.00 0.29 C ATOM 232 O SER A 16 3.244 -7.093 -0.009 1.00 0.33 O ATOM 233 CB SER A 16 4.617 -7.404 -2.875 1.00 0.44 C ATOM 234 OG SER A 16 5.170 -6.134 -3.174 1.00 1.07 O ATOM 0 H SER A 16 4.007 -9.648 -1.944 1.00 0.37 H new ATOM 0 HA SER A 16 6.077 -7.827 -1.394 1.00 0.35 H new ATOM 0 HB2 SER A 16 4.970 -8.136 -3.602 1.00 0.44 H new ATOM 0 HB3 SER A 16 3.532 -7.360 -2.968 1.00 0.44 H new ATOM 0 HG SER A 16 6.089 -6.089 -2.836 1.00 1.07 H new ATOM 240 N LYS A 17 5.183 -5.962 -0.065 1.00 0.26 N ATOM 241 CA LYS A 17 4.827 -5.024 0.967 1.00 0.28 C ATOM 242 C LYS A 17 4.846 -3.611 0.422 1.00 0.30 C ATOM 243 O LYS A 17 5.832 -3.171 -0.167 1.00 0.43 O ATOM 244 CB LYS A 17 5.805 -5.151 2.131 1.00 0.31 C ATOM 245 CG LYS A 17 5.818 -6.536 2.739 1.00 0.71 C ATOM 246 CD LYS A 17 6.690 -6.595 3.974 1.00 0.66 C ATOM 247 CE LYS A 17 6.588 -7.956 4.643 1.00 0.84 C ATOM 248 NZ LYS A 17 5.222 -8.219 5.178 1.00 1.84 N ATOM 0 H LYS A 17 6.107 -5.804 -0.467 1.00 0.26 H new ATOM 0 HA LYS A 17 3.819 -5.245 1.318 1.00 0.28 H new ATOM 0 HB2 LYS A 17 6.808 -4.902 1.785 1.00 0.31 H new ATOM 0 HB3 LYS A 17 5.543 -4.424 2.900 1.00 0.31 H new ATOM 0 HG2 LYS A 17 4.801 -6.830 2.997 1.00 0.71 H new ATOM 0 HG3 LYS A 17 6.180 -7.254 2.003 1.00 0.71 H new ATOM 0 HD2 LYS A 17 7.727 -6.395 3.703 1.00 0.66 H new ATOM 0 HD3 LYS A 17 6.388 -5.817 4.675 1.00 0.66 H new ATOM 0 HE2 LYS A 17 6.851 -8.733 3.925 1.00 0.84 H new ATOM 0 HE3 LYS A 17 7.312 -8.015 5.456 1.00 0.84 H new ATOM 0 HZ1 LYS A 17 5.170 -9.195 5.534 1.00 1.84 H new ATOM 0 HZ2 LYS A 17 5.019 -7.556 5.954 1.00 1.84 H new ATOM 0 HZ3 LYS A 17 4.522 -8.089 4.420 1.00 1.84 H new ATOM 262 N VAL A 18 3.749 -2.919 0.613 1.00 0.28 N ATOM 263 CA VAL A 18 3.629 -1.536 0.202 1.00 0.30 C ATOM 264 C VAL A 18 3.522 -0.662 1.434 1.00 0.31 C ATOM 265 O VAL A 18 2.675 -0.890 2.276 1.00 0.41 O ATOM 266 CB VAL A 18 2.382 -1.329 -0.681 1.00 0.35 C ATOM 267 CG1 VAL A 18 2.217 0.136 -1.061 1.00 0.39 C ATOM 268 CG2 VAL A 18 2.452 -2.203 -1.927 1.00 0.36 C ATOM 0 H VAL A 18 2.912 -3.297 1.058 1.00 0.28 H new ATOM 0 HA VAL A 18 4.511 -1.266 -0.379 1.00 0.30 H new ATOM 0 HB VAL A 18 1.508 -1.627 -0.102 1.00 0.35 H new ATOM 0 HG11 VAL A 18 1.330 0.253 -1.684 1.00 0.39 H new ATOM 0 HG12 VAL A 18 2.108 0.736 -0.158 1.00 0.39 H new ATOM 0 HG13 VAL A 18 3.095 0.469 -1.614 1.00 0.39 H new ATOM 0 HG21 VAL A 18 1.562 -2.041 -2.535 1.00 0.36 H new ATOM 0 HG22 VAL A 18 3.339 -1.943 -2.505 1.00 0.36 H new ATOM 0 HG23 VAL A 18 2.505 -3.251 -1.634 1.00 0.36 H new ATOM 278 N HIS A 19 4.367 0.335 1.553 1.00 0.29 N ATOM 279 CA HIS A 19 4.331 1.168 2.745 1.00 0.29 C ATOM 280 C HIS A 19 3.943 2.571 2.372 1.00 0.30 C ATOM 281 O HIS A 19 4.540 3.164 1.483 1.00 0.34 O ATOM 282 CB HIS A 19 5.676 1.216 3.481 1.00 0.32 C ATOM 283 CG HIS A 19 6.429 -0.068 3.478 1.00 0.32 C ATOM 284 ND1 HIS A 19 6.227 -1.084 4.379 1.00 0.67 N ATOM 285 CD2 HIS A 19 7.404 -0.479 2.661 1.00 0.37 C ATOM 286 CE1 HIS A 19 7.052 -2.077 4.108 1.00 0.66 C ATOM 287 NE2 HIS A 19 7.782 -1.735 3.065 1.00 0.41 N ATOM 0 H HIS A 19 5.073 0.590 0.862 1.00 0.29 H new ATOM 0 HA HIS A 19 3.597 0.721 3.415 1.00 0.29 H new ATOM 0 HB2 HIS A 19 6.297 1.988 3.026 1.00 0.32 H new ATOM 0 HB3 HIS A 19 5.500 1.517 4.514 1.00 0.32 H new ATOM 0 HD2 HIS A 19 7.819 0.077 1.833 1.00 0.37 H new ATOM 0 HE1 HIS A 19 7.118 -3.010 4.648 1.00 0.66 H new ATOM 0 HE2 HIS A 19 8.506 -2.308 2.631 1.00 0.41 H new ATOM 296 N VAL A 20 2.957 3.093 3.060 1.00 0.31 N ATOM 297 CA VAL A 20 2.596 4.478 2.908 1.00 0.33 C ATOM 298 C VAL A 20 3.407 5.254 3.924 1.00 0.32 C ATOM 299 O VAL A 20 3.250 5.073 5.131 1.00 0.33 O ATOM 300 CB VAL A 20 1.088 4.724 3.117 1.00 0.40 C ATOM 301 CG1 VAL A 20 0.742 6.186 2.863 1.00 0.56 C ATOM 302 CG2 VAL A 20 0.263 3.813 2.214 1.00 0.81 C ATOM 0 H VAL A 20 2.390 2.576 3.732 1.00 0.31 H new ATOM 0 HA VAL A 20 2.810 4.802 1.889 1.00 0.33 H new ATOM 0 HB VAL A 20 0.845 4.489 4.153 1.00 0.40 H new ATOM 0 HG11 VAL A 20 -0.326 6.339 3.016 1.00 0.56 H new ATOM 0 HG12 VAL A 20 1.301 6.817 3.553 1.00 0.56 H new ATOM 0 HG13 VAL A 20 1.003 6.449 1.838 1.00 0.56 H new ATOM 0 HG21 VAL A 20 -0.798 4.003 2.377 1.00 0.81 H new ATOM 0 HG22 VAL A 20 0.511 4.013 1.172 1.00 0.81 H new ATOM 0 HG23 VAL A 20 0.485 2.772 2.447 1.00 0.81 H new ATOM 312 N PHE A 21 4.316 6.057 3.435 1.00 0.34 N ATOM 313 CA PHE A 21 5.255 6.742 4.291 1.00 0.37 C ATOM 314 C PHE A 21 4.680 8.072 4.762 1.00 0.39 C ATOM 315 O PHE A 21 3.739 8.595 4.169 1.00 0.40 O ATOM 316 CB PHE A 21 6.570 6.947 3.542 1.00 0.40 C ATOM 317 CG PHE A 21 7.360 5.678 3.327 1.00 0.41 C ATOM 318 CD1 PHE A 21 7.188 4.885 2.188 1.00 0.37 C ATOM 319 CD2 PHE A 21 8.292 5.275 4.270 1.00 0.58 C ATOM 320 CE1 PHE A 21 7.932 3.733 2.012 1.00 0.39 C ATOM 321 CE2 PHE A 21 9.031 4.122 4.091 1.00 0.64 C ATOM 322 CZ PHE A 21 8.853 3.353 2.961 1.00 0.51 C ATOM 0 H PHE A 21 4.428 6.255 2.441 1.00 0.34 H new ATOM 0 HA PHE A 21 5.446 6.134 5.175 1.00 0.37 H new ATOM 0 HB2 PHE A 21 6.357 7.399 2.573 1.00 0.40 H new ATOM 0 HB3 PHE A 21 7.185 7.656 4.096 1.00 0.40 H new ATOM 0 HD1 PHE A 21 6.467 5.175 1.438 1.00 0.37 H new ATOM 0 HD2 PHE A 21 8.443 5.871 5.158 1.00 0.58 H new ATOM 0 HE1 PHE A 21 7.790 3.130 1.127 1.00 0.39 H new ATOM 0 HE2 PHE A 21 9.750 3.822 4.839 1.00 0.64 H new ATOM 0 HZ PHE A 21 9.435 2.454 2.821 1.00 0.51 H new ATOM 332 N LYS A 22 5.260 8.613 5.824 1.00 0.44 N ATOM 333 CA LYS A 22 4.809 9.870 6.419 1.00 0.50 C ATOM 334 C LYS A 22 4.916 11.022 5.426 1.00 0.52 C ATOM 335 O LYS A 22 4.187 12.010 5.511 1.00 0.57 O ATOM 336 CB LYS A 22 5.669 10.184 7.644 1.00 0.61 C ATOM 337 CG LYS A 22 5.213 9.511 8.923 1.00 1.37 C ATOM 338 CD LYS A 22 6.320 9.483 9.975 1.00 1.46 C ATOM 339 CE LYS A 22 6.704 10.867 10.490 1.00 2.02 C ATOM 340 NZ LYS A 22 7.540 11.634 9.525 1.00 2.87 N ATOM 0 H LYS A 22 6.059 8.194 6.301 1.00 0.44 H new ATOM 0 HA LYS A 22 3.763 9.758 6.705 1.00 0.50 H new ATOM 0 HB2 LYS A 22 6.696 9.884 7.437 1.00 0.61 H new ATOM 0 HB3 LYS A 22 5.677 11.263 7.799 1.00 0.61 H new ATOM 0 HG2 LYS A 22 4.346 10.038 9.322 1.00 1.37 H new ATOM 0 HG3 LYS A 22 4.894 8.492 8.704 1.00 1.37 H new ATOM 0 HD2 LYS A 22 5.997 8.868 10.815 1.00 1.46 H new ATOM 0 HD3 LYS A 22 7.202 9.004 9.550 1.00 1.46 H new ATOM 0 HE2 LYS A 22 5.798 11.432 10.707 1.00 2.02 H new ATOM 0 HE3 LYS A 22 7.247 10.762 11.429 1.00 2.02 H new ATOM 0 HZ1 LYS A 22 8.333 12.079 10.030 1.00 2.87 H new ATOM 0 HZ2 LYS A 22 7.911 10.989 8.798 1.00 2.87 H new ATOM 0 HZ3 LYS A 22 6.961 12.370 9.072 1.00 2.87 H new ATOM 354 N ASP A 23 5.835 10.871 4.486 1.00 0.54 N ATOM 355 CA ASP A 23 6.159 11.902 3.520 1.00 0.61 C ATOM 356 C ASP A 23 5.166 11.837 2.387 1.00 0.59 C ATOM 357 O ASP A 23 5.121 12.700 1.511 1.00 0.67 O ATOM 358 CB ASP A 23 7.589 11.690 3.010 1.00 0.68 C ATOM 359 CG ASP A 23 8.020 12.707 1.974 1.00 1.29 C ATOM 360 OD1 ASP A 23 8.273 13.874 2.345 1.00 1.91 O ATOM 361 OD2 ASP A 23 8.144 12.337 0.790 1.00 1.97 O ATOM 0 H ASP A 23 6.382 10.018 4.373 1.00 0.54 H new ATOM 0 HA ASP A 23 6.103 12.888 3.981 1.00 0.61 H new ATOM 0 HB2 ASP A 23 8.277 11.730 3.855 1.00 0.68 H new ATOM 0 HB3 ASP A 23 7.669 10.691 2.581 1.00 0.68 H new ATOM 366 N GLY A 24 4.345 10.804 2.435 1.00 0.53 N ATOM 367 CA GLY A 24 3.322 10.639 1.454 1.00 0.53 C ATOM 368 C GLY A 24 3.743 9.767 0.299 1.00 0.53 C ATOM 369 O GLY A 24 2.966 9.530 -0.627 1.00 0.58 O ATOM 0 H GLY A 24 4.377 10.075 3.147 1.00 0.53 H new ATOM 0 HA2 GLY A 24 2.441 10.205 1.927 1.00 0.53 H new ATOM 0 HA3 GLY A 24 3.030 11.618 1.074 1.00 0.53 H new ATOM 373 N LYS A 25 4.980 9.299 0.336 1.00 0.50 N ATOM 374 CA LYS A 25 5.456 8.359 -0.655 1.00 0.51 C ATOM 375 C LYS A 25 5.111 6.942 -0.259 1.00 0.42 C ATOM 376 O LYS A 25 4.523 6.697 0.796 1.00 0.41 O ATOM 377 CB LYS A 25 6.960 8.472 -0.854 1.00 0.62 C ATOM 378 CG LYS A 25 7.368 9.680 -1.663 1.00 0.94 C ATOM 379 CD LYS A 25 8.804 9.558 -2.133 1.00 1.49 C ATOM 380 CE LYS A 25 9.784 9.521 -0.968 1.00 1.50 C ATOM 381 NZ LYS A 25 9.996 10.863 -0.370 1.00 1.74 N ATOM 0 H LYS A 25 5.669 9.557 1.042 1.00 0.50 H new ATOM 0 HA LYS A 25 4.960 8.605 -1.594 1.00 0.51 H new ATOM 0 HB2 LYS A 25 7.446 8.516 0.121 1.00 0.62 H new ATOM 0 HB3 LYS A 25 7.322 7.572 -1.351 1.00 0.62 H new ATOM 0 HG2 LYS A 25 6.708 9.786 -2.524 1.00 0.94 H new ATOM 0 HG3 LYS A 25 7.254 10.581 -1.061 1.00 0.94 H new ATOM 0 HD2 LYS A 25 8.915 8.652 -2.729 1.00 1.49 H new ATOM 0 HD3 LYS A 25 9.045 10.399 -2.783 1.00 1.49 H new ATOM 0 HE2 LYS A 25 9.411 8.839 -0.203 1.00 1.50 H new ATOM 0 HE3 LYS A 25 10.739 9.123 -1.311 1.00 1.50 H new ATOM 0 HZ1 LYS A 25 10.720 10.801 0.374 1.00 1.74 H new ATOM 0 HZ2 LYS A 25 10.312 11.525 -1.107 1.00 1.74 H new ATOM 0 HZ3 LYS A 25 9.104 11.204 0.043 1.00 1.74 H new ATOM 395 N MET A 26 5.500 6.021 -1.106 1.00 0.42 N ATOM 396 CA MET A 26 5.255 4.614 -0.881 1.00 0.41 C ATOM 397 C MET A 26 6.427 3.791 -1.367 1.00 0.42 C ATOM 398 O MET A 26 7.107 4.155 -2.326 1.00 0.49 O ATOM 399 CB MET A 26 3.983 4.140 -1.583 1.00 0.47 C ATOM 400 CG MET A 26 2.706 4.738 -1.018 1.00 0.73 C ATOM 401 SD MET A 26 1.231 3.971 -1.701 1.00 1.07 S ATOM 402 CE MET A 26 1.528 4.197 -3.451 1.00 0.76 C ATOM 0 H MET A 26 5.997 6.224 -1.973 1.00 0.42 H new ATOM 0 HA MET A 26 5.126 4.478 0.193 1.00 0.41 H new ATOM 0 HB2 MET A 26 4.051 4.388 -2.642 1.00 0.47 H new ATOM 0 HB3 MET A 26 3.925 3.054 -1.513 1.00 0.47 H new ATOM 0 HG2 MET A 26 2.703 4.624 0.066 1.00 0.73 H new ATOM 0 HG3 MET A 26 2.686 5.808 -1.226 1.00 0.73 H new ATOM 0 HE1 MET A 26 0.576 4.235 -3.980 1.00 0.76 H new ATOM 0 HE2 MET A 26 2.069 5.130 -3.611 1.00 0.76 H new ATOM 0 HE3 MET A 26 2.120 3.364 -3.830 1.00 0.76 H new ATOM 412 N GLY A 27 6.654 2.689 -0.693 1.00 0.39 N ATOM 413 CA GLY A 27 7.721 1.798 -1.067 1.00 0.39 C ATOM 414 C GLY A 27 7.214 0.389 -1.241 1.00 0.32 C ATOM 415 O GLY A 27 6.438 -0.093 -0.415 1.00 0.33 O ATOM 0 H GLY A 27 6.112 2.389 0.118 1.00 0.39 H new ATOM 0 HA2 GLY A 27 8.177 2.141 -1.996 1.00 0.39 H new ATOM 0 HA3 GLY A 27 8.499 1.816 -0.304 1.00 0.39 H new ATOM 419 N MET A 28 7.637 -0.266 -2.308 1.00 0.28 N ATOM 420 CA MET A 28 7.184 -1.613 -2.600 1.00 0.27 C ATOM 421 C MET A 28 8.328 -2.599 -2.421 1.00 0.26 C ATOM 422 O MET A 28 9.394 -2.439 -3.009 1.00 0.31 O ATOM 423 CB MET A 28 6.633 -1.690 -4.027 1.00 0.34 C ATOM 424 CG MET A 28 6.004 -3.033 -4.368 1.00 0.45 C ATOM 425 SD MET A 28 5.365 -3.093 -6.053 1.00 0.87 S ATOM 426 CE MET A 28 4.647 -4.733 -6.085 1.00 0.72 C ATOM 0 H MET A 28 8.295 0.115 -2.988 1.00 0.28 H new ATOM 0 HA MET A 28 6.385 -1.874 -1.906 1.00 0.27 H new ATOM 0 HB2 MET A 28 5.889 -0.905 -4.162 1.00 0.34 H new ATOM 0 HB3 MET A 28 7.441 -1.488 -4.730 1.00 0.34 H new ATOM 0 HG2 MET A 28 6.746 -3.821 -4.237 1.00 0.45 H new ATOM 0 HG3 MET A 28 5.193 -3.238 -3.669 1.00 0.45 H new ATOM 0 HE1 MET A 28 4.712 -5.139 -7.094 1.00 0.72 H new ATOM 0 HE2 MET A 28 5.190 -5.381 -5.397 1.00 0.72 H new ATOM 0 HE3 MET A 28 3.601 -4.678 -5.783 1.00 0.72 H new ATOM 436 N GLU A 29 8.091 -3.622 -1.622 1.00 0.24 N ATOM 437 CA GLU A 29 9.098 -4.634 -1.347 1.00 0.26 C ATOM 438 C GLU A 29 8.499 -5.995 -1.608 1.00 0.27 C ATOM 439 O GLU A 29 7.289 -6.138 -1.584 1.00 0.29 O ATOM 440 CB GLU A 29 9.596 -4.550 0.099 1.00 0.34 C ATOM 441 CG GLU A 29 10.474 -3.341 0.370 1.00 0.47 C ATOM 442 CD GLU A 29 10.866 -3.220 1.827 1.00 0.56 C ATOM 443 OE1 GLU A 29 9.966 -3.035 2.671 1.00 0.68 O ATOM 444 OE2 GLU A 29 12.070 -3.320 2.137 1.00 1.14 O ATOM 0 H GLU A 29 7.202 -3.776 -1.147 1.00 0.24 H new ATOM 0 HA GLU A 29 9.955 -4.465 -1.999 1.00 0.26 H new ATOM 0 HB2 GLU A 29 8.737 -4.522 0.769 1.00 0.34 H new ATOM 0 HB3 GLU A 29 10.155 -5.455 0.335 1.00 0.34 H new ATOM 0 HG2 GLU A 29 11.375 -3.407 -0.240 1.00 0.47 H new ATOM 0 HG3 GLU A 29 9.947 -2.438 0.063 1.00 0.47 H new ATOM 451 N ASN A 30 9.319 -6.978 -1.892 1.00 0.32 N ATOM 452 CA ASN A 30 8.814 -8.326 -2.077 1.00 0.39 C ATOM 453 C ASN A 30 8.847 -9.086 -0.759 1.00 0.42 C ATOM 454 O ASN A 30 9.322 -8.566 0.253 1.00 0.42 O ATOM 455 CB ASN A 30 9.612 -9.083 -3.149 1.00 0.47 C ATOM 456 CG ASN A 30 11.101 -9.152 -2.856 1.00 0.79 C ATOM 457 OD1 ASN A 30 11.532 -9.039 -1.716 1.00 1.41 O ATOM 458 ND2 ASN A 30 11.898 -9.367 -3.882 1.00 1.12 N ATOM 0 H ASN A 30 10.328 -6.877 -2.000 1.00 0.32 H new ATOM 0 HA ASN A 30 7.782 -8.252 -2.420 1.00 0.39 H new ATOM 0 HB2 ASN A 30 9.219 -10.096 -3.236 1.00 0.47 H new ATOM 0 HB3 ASN A 30 9.461 -8.598 -4.114 1.00 0.47 H new ATOM 0 HD21 ASN A 30 12.905 -9.444 -3.738 1.00 1.12 H new ATOM 0 HD22 ASN A 30 11.508 -9.457 -4.820 1.00 1.12 H new ATOM 465 N LYS A 31 8.319 -10.304 -0.776 1.00 0.48 N ATOM 466 CA LYS A 31 8.383 -11.215 0.371 1.00 0.54 C ATOM 467 C LYS A 31 9.803 -11.400 0.932 1.00 0.58 C ATOM 468 O LYS A 31 9.973 -11.963 2.013 1.00 0.69 O ATOM 469 CB LYS A 31 7.800 -12.580 -0.011 1.00 0.62 C ATOM 470 CG LYS A 31 7.873 -12.900 -1.500 1.00 0.66 C ATOM 471 CD LYS A 31 7.376 -14.307 -1.797 1.00 0.78 C ATOM 472 CE LYS A 31 7.289 -14.566 -3.294 1.00 1.32 C ATOM 473 NZ LYS A 31 6.076 -13.960 -3.911 1.00 1.77 N ATOM 0 H LYS A 31 7.833 -10.693 -1.584 1.00 0.48 H new ATOM 0 HA LYS A 31 7.791 -10.753 1.161 1.00 0.54 H new ATOM 0 HB2 LYS A 31 8.330 -13.356 0.542 1.00 0.62 H new ATOM 0 HB3 LYS A 31 6.758 -12.618 0.306 1.00 0.62 H new ATOM 0 HG2 LYS A 31 7.276 -12.178 -2.057 1.00 0.66 H new ATOM 0 HG3 LYS A 31 8.902 -12.797 -1.845 1.00 0.66 H new ATOM 0 HD2 LYS A 31 8.047 -15.034 -1.340 1.00 0.78 H new ATOM 0 HD3 LYS A 31 6.395 -14.450 -1.345 1.00 0.78 H new ATOM 0 HE2 LYS A 31 8.178 -14.165 -3.781 1.00 1.32 H new ATOM 0 HE3 LYS A 31 7.285 -15.641 -3.473 1.00 1.32 H new ATOM 0 HZ1 LYS A 31 6.178 -13.956 -4.946 1.00 1.77 H new ATOM 0 HZ2 LYS A 31 5.238 -14.517 -3.648 1.00 1.77 H new ATOM 0 HZ3 LYS A 31 5.964 -12.984 -3.570 1.00 1.77 H new ATOM 487 N PHE A 32 10.813 -10.932 0.209 1.00 0.58 N ATOM 488 CA PHE A 32 12.197 -11.076 0.643 1.00 0.63 C ATOM 489 C PHE A 32 12.756 -9.746 1.162 1.00 0.56 C ATOM 490 O PHE A 32 13.881 -9.694 1.655 1.00 0.62 O ATOM 491 CB PHE A 32 13.057 -11.600 -0.511 1.00 0.69 C ATOM 492 CG PHE A 32 12.543 -12.881 -1.103 1.00 0.80 C ATOM 493 CD1 PHE A 32 12.908 -14.105 -0.565 1.00 0.95 C ATOM 494 CD2 PHE A 32 11.683 -12.861 -2.192 1.00 0.83 C ATOM 495 CE1 PHE A 32 12.427 -15.284 -1.102 1.00 1.08 C ATOM 496 CE2 PHE A 32 11.201 -14.036 -2.732 1.00 0.96 C ATOM 497 CZ PHE A 32 11.572 -15.248 -2.187 1.00 1.07 C ATOM 0 H PHE A 32 10.699 -10.449 -0.682 1.00 0.58 H new ATOM 0 HA PHE A 32 12.224 -11.794 1.463 1.00 0.63 H new ATOM 0 HB2 PHE A 32 13.106 -10.841 -1.292 1.00 0.69 H new ATOM 0 HB3 PHE A 32 14.075 -11.756 -0.154 1.00 0.69 H new ATOM 0 HD1 PHE A 32 13.576 -14.138 0.283 1.00 0.95 H new ATOM 0 HD2 PHE A 32 11.388 -11.915 -2.622 1.00 0.83 H new ATOM 0 HE1 PHE A 32 12.719 -16.232 -0.674 1.00 1.08 H new ATOM 0 HE2 PHE A 32 10.534 -14.007 -3.581 1.00 0.96 H new ATOM 0 HZ PHE A 32 11.194 -16.168 -2.608 1.00 1.07 H new ATOM 507 N GLY A 33 11.971 -8.675 1.048 1.00 0.49 N ATOM 508 CA GLY A 33 12.399 -7.382 1.553 1.00 0.49 C ATOM 509 C GLY A 33 13.160 -6.582 0.519 1.00 0.45 C ATOM 510 O GLY A 33 13.990 -5.741 0.860 1.00 0.54 O ATOM 0 H GLY A 33 11.047 -8.681 0.615 1.00 0.49 H new ATOM 0 HA2 GLY A 33 11.527 -6.815 1.877 1.00 0.49 H new ATOM 0 HA3 GLY A 33 13.028 -7.528 2.431 1.00 0.49 H new ATOM 514 N LYS A 34 12.902 -6.861 -0.747 1.00 0.42 N ATOM 515 CA LYS A 34 13.571 -6.149 -1.825 1.00 0.52 C ATOM 516 C LYS A 34 12.632 -5.209 -2.546 1.00 0.38 C ATOM 517 O LYS A 34 11.488 -5.550 -2.841 1.00 0.72 O ATOM 518 CB LYS A 34 14.197 -7.127 -2.804 1.00 0.85 C ATOM 519 CG LYS A 34 15.368 -7.867 -2.207 1.00 1.17 C ATOM 520 CD LYS A 34 16.630 -7.021 -2.227 1.00 1.92 C ATOM 521 CE LYS A 34 17.743 -7.646 -1.404 1.00 2.73 C ATOM 522 NZ LYS A 34 18.163 -8.971 -1.929 1.00 3.25 N ATOM 0 H LYS A 34 12.238 -7.572 -1.054 1.00 0.42 H new ATOM 0 HA LYS A 34 14.360 -5.546 -1.376 1.00 0.52 H new ATOM 0 HB2 LYS A 34 13.444 -7.845 -3.128 1.00 0.85 H new ATOM 0 HB3 LYS A 34 14.526 -6.588 -3.692 1.00 0.85 H new ATOM 0 HG2 LYS A 34 15.135 -8.151 -1.181 1.00 1.17 H new ATOM 0 HG3 LYS A 34 15.538 -8.789 -2.762 1.00 1.17 H new ATOM 0 HD2 LYS A 34 16.966 -6.895 -3.256 1.00 1.92 H new ATOM 0 HD3 LYS A 34 16.407 -6.027 -1.840 1.00 1.92 H new ATOM 0 HE2 LYS A 34 18.602 -6.975 -1.391 1.00 2.73 H new ATOM 0 HE3 LYS A 34 17.409 -7.757 -0.372 1.00 2.73 H new ATOM 0 HZ1 LYS A 34 18.947 -9.340 -1.354 1.00 3.25 H new ATOM 0 HZ2 LYS A 34 17.361 -9.632 -1.886 1.00 3.25 H new ATOM 0 HZ3 LYS A 34 18.476 -8.870 -2.916 1.00 3.25 H new ATOM 536 N SER A 35 13.150 -4.035 -2.830 1.00 0.46 N ATOM 537 CA SER A 35 12.378 -2.968 -3.438 1.00 0.48 C ATOM 538 C SER A 35 12.074 -3.270 -4.902 1.00 0.58 C ATOM 539 O SER A 35 12.958 -3.652 -5.671 1.00 0.74 O ATOM 540 CB SER A 35 13.132 -1.640 -3.306 1.00 0.69 C ATOM 541 OG SER A 35 12.424 -0.563 -3.904 1.00 1.55 O ATOM 0 H SER A 35 14.123 -3.790 -2.646 1.00 0.46 H new ATOM 0 HA SER A 35 11.426 -2.890 -2.913 1.00 0.48 H new ATOM 0 HB2 SER A 35 13.300 -1.422 -2.251 1.00 0.69 H new ATOM 0 HB3 SER A 35 14.113 -1.732 -3.773 1.00 0.69 H new ATOM 0 HG SER A 35 12.937 0.265 -3.797 1.00 1.55 H new ATOM 547 N MET A 36 10.812 -3.112 -5.272 1.00 0.58 N ATOM 548 CA MET A 36 10.376 -3.310 -6.645 1.00 0.76 C ATOM 549 C MET A 36 9.639 -2.068 -7.127 1.00 0.87 C ATOM 550 O MET A 36 9.452 -1.120 -6.363 1.00 0.94 O ATOM 551 CB MET A 36 9.465 -4.536 -6.752 1.00 0.81 C ATOM 552 CG MET A 36 10.131 -5.836 -6.330 1.00 1.07 C ATOM 553 SD MET A 36 9.046 -7.264 -6.516 1.00 1.38 S ATOM 554 CE MET A 36 7.673 -6.795 -5.462 1.00 1.15 C ATOM 0 H MET A 36 10.065 -2.844 -4.632 1.00 0.58 H new ATOM 0 HA MET A 36 11.251 -3.480 -7.272 1.00 0.76 H new ATOM 0 HB2 MET A 36 8.581 -4.375 -6.135 1.00 0.81 H new ATOM 0 HB3 MET A 36 9.121 -4.633 -7.782 1.00 0.81 H new ATOM 0 HG2 MET A 36 11.031 -5.989 -6.925 1.00 1.07 H new ATOM 0 HG3 MET A 36 10.446 -5.757 -5.290 1.00 1.07 H new ATOM 0 HE1 MET A 36 6.961 -7.618 -5.404 1.00 1.15 H new ATOM 0 HE2 MET A 36 8.043 -6.565 -4.463 1.00 1.15 H new ATOM 0 HE3 MET A 36 7.179 -5.916 -5.877 1.00 1.15 H new ATOM 564 N ASN A 37 9.226 -2.061 -8.386 1.00 1.03 N ATOM 565 CA ASN A 37 8.494 -0.925 -8.931 1.00 1.17 C ATOM 566 C ASN A 37 7.002 -1.208 -8.899 1.00 0.99 C ATOM 567 O ASN A 37 6.544 -2.239 -9.394 1.00 1.03 O ATOM 568 CB ASN A 37 8.939 -0.599 -10.363 1.00 1.55 C ATOM 569 CG ASN A 37 10.347 -0.025 -10.443 1.00 2.18 C ATOM 570 OD1 ASN A 37 10.645 0.806 -11.302 1.00 2.78 O ATOM 571 ND2 ASN A 37 11.231 -0.466 -9.560 1.00 2.51 N ATOM 0 H ASN A 37 9.383 -2.823 -9.046 1.00 1.03 H new ATOM 0 HA ASN A 37 8.713 -0.056 -8.310 1.00 1.17 H new ATOM 0 HB2 ASN A 37 8.889 -1.506 -10.966 1.00 1.55 H new ATOM 0 HB3 ASN A 37 8.239 0.113 -10.800 1.00 1.55 H new ATOM 0 HD21 ASN A 37 12.189 -0.117 -9.580 1.00 2.51 H new ATOM 0 HD22 ASN A 37 10.953 -1.155 -8.861 1.00 2.51 H new ATOM 578 N MET A 38 6.254 -0.291 -8.311 1.00 1.01 N ATOM 579 CA MET A 38 4.822 -0.486 -8.118 1.00 0.99 C ATOM 580 C MET A 38 4.045 -0.115 -9.375 1.00 0.86 C ATOM 581 O MET A 38 4.192 0.991 -9.901 1.00 0.81 O ATOM 582 CB MET A 38 4.322 0.336 -6.926 1.00 1.23 C ATOM 583 CG MET A 38 2.905 -0.014 -6.503 1.00 0.95 C ATOM 584 SD MET A 38 2.374 0.866 -5.022 1.00 1.15 S ATOM 585 CE MET A 38 0.807 0.065 -4.699 1.00 1.32 C ATOM 0 H MET A 38 6.611 0.597 -7.958 1.00 1.01 H new ATOM 0 HA MET A 38 4.653 -1.543 -7.911 1.00 0.99 H new ATOM 0 HB2 MET A 38 4.994 0.183 -6.081 1.00 1.23 H new ATOM 0 HB3 MET A 38 4.366 1.395 -7.180 1.00 1.23 H new ATOM 0 HG2 MET A 38 2.221 0.215 -7.320 1.00 0.95 H new ATOM 0 HG3 MET A 38 2.840 -1.087 -6.324 1.00 0.95 H new ATOM 0 HE1 MET A 38 0.303 0.570 -3.875 1.00 1.32 H new ATOM 0 HE2 MET A 38 0.183 0.114 -5.591 1.00 1.32 H new ATOM 0 HE3 MET A 38 0.979 -0.978 -4.434 1.00 1.32 H new ATOM 595 N PRO A 39 3.212 -1.041 -9.870 1.00 0.92 N ATOM 596 CA PRO A 39 2.430 -0.839 -11.092 1.00 0.91 C ATOM 597 C PRO A 39 1.232 0.082 -10.884 1.00 0.76 C ATOM 598 O PRO A 39 0.693 0.185 -9.779 1.00 0.83 O ATOM 599 CB PRO A 39 1.956 -2.249 -11.434 1.00 1.16 C ATOM 600 CG PRO A 39 1.860 -2.936 -10.118 1.00 1.24 C ATOM 601 CD PRO A 39 2.972 -2.371 -9.277 1.00 1.13 C ATOM 0 HA PRO A 39 3.019 -0.359 -11.874 1.00 0.91 H new ATOM 0 HB2 PRO A 39 0.993 -2.232 -11.944 1.00 1.16 H new ATOM 0 HB3 PRO A 39 2.659 -2.755 -12.096 1.00 1.16 H new ATOM 0 HG2 PRO A 39 0.890 -2.758 -9.654 1.00 1.24 H new ATOM 0 HG3 PRO A 39 1.966 -4.015 -10.232 1.00 1.24 H new ATOM 0 HD2 PRO A 39 2.684 -2.297 -8.228 1.00 1.13 H new ATOM 0 HD3 PRO A 39 3.864 -2.996 -9.319 1.00 1.13 H new ATOM 609 N GLU A 40 0.816 0.743 -11.955 1.00 0.77 N ATOM 610 CA GLU A 40 -0.355 1.603 -11.918 1.00 0.69 C ATOM 611 C GLU A 40 -1.468 1.005 -12.772 1.00 0.73 C ATOM 612 O GLU A 40 -1.202 0.439 -13.832 1.00 1.09 O ATOM 613 CB GLU A 40 -0.026 3.007 -12.435 1.00 0.76 C ATOM 614 CG GLU A 40 -1.215 3.950 -12.369 1.00 0.72 C ATOM 615 CD GLU A 40 -0.998 5.250 -13.105 1.00 0.94 C ATOM 616 OE1 GLU A 40 -1.230 5.286 -14.330 1.00 1.15 O ATOM 617 OE2 GLU A 40 -0.641 6.254 -12.461 1.00 1.09 O ATOM 0 H GLU A 40 1.276 0.699 -12.864 1.00 0.77 H new ATOM 0 HA GLU A 40 -0.682 1.679 -10.881 1.00 0.69 H new ATOM 0 HB2 GLU A 40 0.795 3.422 -11.850 1.00 0.76 H new ATOM 0 HB3 GLU A 40 0.321 2.938 -13.466 1.00 0.76 H new ATOM 0 HG2 GLU A 40 -2.089 3.449 -12.785 1.00 0.72 H new ATOM 0 HG3 GLU A 40 -1.438 4.167 -11.324 1.00 0.72 H new ATOM 624 N GLY A 41 -2.706 1.125 -12.310 1.00 0.64 N ATOM 625 CA GLY A 41 -3.833 0.668 -13.101 1.00 0.66 C ATOM 626 C GLY A 41 -4.248 -0.744 -12.759 1.00 0.62 C ATOM 627 O GLY A 41 -5.158 -1.297 -13.371 1.00 0.68 O ATOM 0 H GLY A 41 -2.950 1.529 -11.406 1.00 0.64 H new ATOM 0 HA2 GLY A 41 -4.678 1.339 -12.945 1.00 0.66 H new ATOM 0 HA3 GLY A 41 -3.575 0.721 -14.159 1.00 0.66 H new ATOM 631 N LYS A 42 -3.586 -1.329 -11.775 1.00 0.59 N ATOM 632 CA LYS A 42 -3.882 -2.691 -11.363 1.00 0.59 C ATOM 633 C LYS A 42 -4.550 -2.724 -10.003 1.00 0.52 C ATOM 634 O LYS A 42 -4.161 -1.988 -9.096 1.00 0.54 O ATOM 635 CB LYS A 42 -2.606 -3.518 -11.291 1.00 0.67 C ATOM 636 CG LYS A 42 -1.990 -3.832 -12.638 1.00 0.85 C ATOM 637 CD LYS A 42 -2.874 -4.790 -13.408 1.00 1.45 C ATOM 638 CE LYS A 42 -3.052 -6.116 -12.678 1.00 1.85 C ATOM 639 NZ LYS A 42 -1.764 -6.831 -12.462 1.00 2.30 N ATOM 0 H LYS A 42 -2.838 -0.881 -11.245 1.00 0.59 H new ATOM 0 HA LYS A 42 -4.559 -3.110 -12.108 1.00 0.59 H new ATOM 0 HB2 LYS A 42 -1.874 -2.983 -10.686 1.00 0.67 H new ATOM 0 HB3 LYS A 42 -2.822 -4.454 -10.776 1.00 0.67 H new ATOM 0 HG2 LYS A 42 -1.856 -2.912 -13.208 1.00 0.85 H new ATOM 0 HG3 LYS A 42 -1.001 -4.269 -12.501 1.00 0.85 H new ATOM 0 HD2 LYS A 42 -3.850 -4.332 -13.570 1.00 1.45 H new ATOM 0 HD3 LYS A 42 -2.440 -4.973 -14.391 1.00 1.45 H new ATOM 0 HE2 LYS A 42 -3.528 -5.934 -11.714 1.00 1.85 H new ATOM 0 HE3 LYS A 42 -3.725 -6.754 -13.251 1.00 1.85 H new ATOM 0 HZ1 LYS A 42 -1.954 -7.782 -12.086 1.00 2.30 H new ATOM 0 HZ2 LYS A 42 -1.255 -6.911 -13.366 1.00 2.30 H new ATOM 0 HZ3 LYS A 42 -1.182 -6.300 -11.783 1.00 2.30 H new ATOM 653 N VAL A 43 -5.550 -3.579 -9.867 1.00 0.48 N ATOM 654 CA VAL A 43 -6.155 -3.836 -8.574 1.00 0.45 C ATOM 655 C VAL A 43 -5.427 -4.990 -7.891 1.00 0.39 C ATOM 656 O VAL A 43 -5.365 -6.098 -8.425 1.00 0.46 O ATOM 657 CB VAL A 43 -7.659 -4.168 -8.695 1.00 0.54 C ATOM 658 CG1 VAL A 43 -8.274 -4.391 -7.321 1.00 0.69 C ATOM 659 CG2 VAL A 43 -8.394 -3.061 -9.434 1.00 0.93 C ATOM 0 H VAL A 43 -5.959 -4.107 -10.638 1.00 0.48 H new ATOM 0 HA VAL A 43 -6.064 -2.928 -7.977 1.00 0.45 H new ATOM 0 HB VAL A 43 -7.758 -5.090 -9.268 1.00 0.54 H new ATOM 0 HG11 VAL A 43 -9.333 -4.623 -7.430 1.00 0.69 H new ATOM 0 HG12 VAL A 43 -7.769 -5.221 -6.827 1.00 0.69 H new ATOM 0 HG13 VAL A 43 -8.160 -3.488 -6.721 1.00 0.69 H new ATOM 0 HG21 VAL A 43 -9.452 -3.314 -9.509 1.00 0.93 H new ATOM 0 HG22 VAL A 43 -8.282 -2.124 -8.889 1.00 0.93 H new ATOM 0 HG23 VAL A 43 -7.975 -2.951 -10.434 1.00 0.93 H new ATOM 669 N MET A 44 -4.858 -4.715 -6.730 1.00 0.35 N ATOM 670 CA MET A 44 -4.148 -5.729 -5.965 1.00 0.36 C ATOM 671 C MET A 44 -4.929 -6.089 -4.717 1.00 0.34 C ATOM 672 O MET A 44 -5.718 -5.289 -4.215 1.00 0.39 O ATOM 673 CB MET A 44 -2.748 -5.257 -5.560 1.00 0.46 C ATOM 674 CG MET A 44 -1.706 -5.332 -6.665 1.00 0.76 C ATOM 675 SD MET A 44 -1.905 -4.062 -7.929 1.00 1.31 S ATOM 676 CE MET A 44 -1.710 -2.573 -6.951 1.00 1.20 C ATOM 0 H MET A 44 -4.873 -3.793 -6.293 1.00 0.35 H new ATOM 0 HA MET A 44 -4.046 -6.604 -6.606 1.00 0.36 H new ATOM 0 HB2 MET A 44 -2.814 -4.226 -5.211 1.00 0.46 H new ATOM 0 HB3 MET A 44 -2.407 -5.858 -4.717 1.00 0.46 H new ATOM 0 HG2 MET A 44 -0.713 -5.242 -6.224 1.00 0.76 H new ATOM 0 HG3 MET A 44 -1.758 -6.314 -7.136 1.00 0.76 H new ATOM 0 HE1 MET A 44 -1.436 -1.743 -7.602 1.00 1.20 H new ATOM 0 HE2 MET A 44 -2.649 -2.344 -6.446 1.00 1.20 H new ATOM 0 HE3 MET A 44 -0.927 -2.725 -6.208 1.00 1.20 H new ATOM 686 N GLU A 45 -4.723 -7.294 -4.227 1.00 0.31 N ATOM 687 CA GLU A 45 -5.351 -7.723 -2.996 1.00 0.34 C ATOM 688 C GLU A 45 -4.368 -7.726 -1.842 1.00 0.30 C ATOM 689 O GLU A 45 -3.154 -7.833 -2.029 1.00 0.35 O ATOM 690 CB GLU A 45 -5.966 -9.107 -3.160 1.00 0.47 C ATOM 691 CG GLU A 45 -7.350 -9.072 -3.769 1.00 0.99 C ATOM 692 CD GLU A 45 -7.813 -10.435 -4.221 1.00 1.17 C ATOM 693 OE1 GLU A 45 -7.313 -10.922 -5.252 1.00 1.43 O ATOM 694 OE2 GLU A 45 -8.684 -11.022 -3.549 1.00 1.64 O ATOM 0 H GLU A 45 -4.124 -7.995 -4.664 1.00 0.31 H new ATOM 0 HA GLU A 45 -6.141 -7.008 -2.766 1.00 0.34 H new ATOM 0 HB2 GLU A 45 -5.315 -9.716 -3.787 1.00 0.47 H new ATOM 0 HB3 GLU A 45 -6.016 -9.594 -2.186 1.00 0.47 H new ATOM 0 HG2 GLU A 45 -8.055 -8.675 -3.039 1.00 0.99 H new ATOM 0 HG3 GLU A 45 -7.353 -8.390 -4.619 1.00 0.99 H new ATOM 701 N THR A 46 -4.924 -7.605 -0.659 1.00 0.29 N ATOM 702 CA THR A 46 -4.150 -7.615 0.562 1.00 0.31 C ATOM 703 C THR A 46 -4.441 -8.879 1.346 1.00 0.39 C ATOM 704 O THR A 46 -5.492 -9.496 1.165 1.00 0.49 O ATOM 705 CB THR A 46 -4.467 -6.395 1.437 1.00 0.42 C ATOM 706 OG1 THR A 46 -5.818 -6.473 1.901 1.00 0.53 O ATOM 707 CG2 THR A 46 -4.270 -5.106 0.658 1.00 0.50 C ATOM 0 H THR A 46 -5.928 -7.497 -0.515 1.00 0.29 H new ATOM 0 HA THR A 46 -3.096 -7.579 0.288 1.00 0.31 H new ATOM 0 HB THR A 46 -3.785 -6.394 2.288 1.00 0.42 H new ATOM 0 HG1 THR A 46 -6.216 -5.578 1.900 1.00 0.53 H new ATOM 0 HG21 THR A 46 -4.501 -4.255 1.299 1.00 0.50 H new ATOM 0 HG22 THR A 46 -3.235 -5.038 0.323 1.00 0.50 H new ATOM 0 HG23 THR A 46 -4.933 -5.099 -0.207 1.00 0.50 H new ATOM 715 N ARG A 47 -3.513 -9.274 2.207 1.00 0.39 N ATOM 716 CA ARG A 47 -3.701 -10.442 3.064 1.00 0.51 C ATOM 717 C ARG A 47 -4.949 -10.311 3.936 1.00 0.72 C ATOM 718 O ARG A 47 -5.490 -11.314 4.404 1.00 0.92 O ATOM 719 CB ARG A 47 -2.482 -10.649 3.949 1.00 0.54 C ATOM 720 CG ARG A 47 -1.331 -11.321 3.224 1.00 0.95 C ATOM 721 CD ARG A 47 -0.090 -11.396 4.091 1.00 1.27 C ATOM 722 NE ARG A 47 -0.352 -12.015 5.385 1.00 2.09 N ATOM 723 CZ ARG A 47 0.209 -11.613 6.521 1.00 2.77 C ATOM 724 NH1 ARG A 47 1.113 -10.639 6.510 1.00 2.94 N ATOM 725 NH2 ARG A 47 -0.113 -12.205 7.665 1.00 3.73 N ATOM 0 H ARG A 47 -2.618 -8.802 2.332 1.00 0.39 H new ATOM 0 HA ARG A 47 -3.832 -11.305 2.412 1.00 0.51 H new ATOM 0 HB2 ARG A 47 -2.149 -9.684 4.332 1.00 0.54 H new ATOM 0 HB3 ARG A 47 -2.764 -11.254 4.811 1.00 0.54 H new ATOM 0 HG2 ARG A 47 -1.627 -12.326 2.924 1.00 0.95 H new ATOM 0 HG3 ARG A 47 -1.105 -10.770 2.311 1.00 0.95 H new ATOM 0 HD2 ARG A 47 0.681 -11.964 3.569 1.00 1.27 H new ATOM 0 HD3 ARG A 47 0.303 -10.391 4.245 1.00 1.27 H new ATOM 0 HE ARG A 47 -1.002 -12.800 5.420 1.00 2.09 H new ATOM 0 HH11 ARG A 47 1.377 -10.199 5.629 1.00 2.94 H new ATOM 0 HH12 ARG A 47 1.542 -10.332 7.383 1.00 2.94 H new ATOM 0 HH21 ARG A 47 -0.790 -12.968 7.672 1.00 3.73 H new ATOM 0 HH22 ARG A 47 0.317 -11.897 8.537 1.00 3.73 H new ATOM 739 N ASP A 48 -5.404 -9.081 4.150 1.00 0.78 N ATOM 740 CA ASP A 48 -6.576 -8.837 4.980 1.00 1.06 C ATOM 741 C ASP A 48 -7.854 -8.856 4.137 1.00 1.04 C ATOM 742 O ASP A 48 -8.961 -8.729 4.659 1.00 1.45 O ATOM 743 CB ASP A 48 -6.446 -7.512 5.745 1.00 1.30 C ATOM 744 CG ASP A 48 -6.325 -6.302 4.844 1.00 1.83 C ATOM 745 OD1 ASP A 48 -7.365 -5.730 4.453 1.00 1.79 O ATOM 746 OD2 ASP A 48 -5.187 -5.901 4.527 1.00 2.70 O ATOM 0 H ASP A 48 -4.979 -8.239 3.761 1.00 0.78 H new ATOM 0 HA ASP A 48 -6.640 -9.641 5.713 1.00 1.06 H new ATOM 0 HB2 ASP A 48 -7.315 -7.388 6.391 1.00 1.30 H new ATOM 0 HB3 ASP A 48 -5.571 -7.561 6.393 1.00 1.30 H new ATOM 751 N GLY A 49 -7.688 -9.013 2.828 1.00 0.68 N ATOM 752 CA GLY A 49 -8.825 -9.229 1.959 1.00 0.72 C ATOM 753 C GLY A 49 -9.440 -7.949 1.433 1.00 0.70 C ATOM 754 O GLY A 49 -10.633 -7.914 1.132 1.00 0.77 O ATOM 0 H GLY A 49 -6.784 -8.994 2.355 1.00 0.68 H new ATOM 0 HA2 GLY A 49 -8.515 -9.846 1.116 1.00 0.72 H new ATOM 0 HA3 GLY A 49 -9.585 -9.791 2.502 1.00 0.72 H new ATOM 758 N THR A 50 -8.650 -6.894 1.329 1.00 0.65 N ATOM 759 CA THR A 50 -9.124 -5.674 0.707 1.00 0.69 C ATOM 760 C THR A 50 -8.460 -5.489 -0.654 1.00 0.55 C ATOM 761 O THR A 50 -7.423 -6.094 -0.938 1.00 0.52 O ATOM 762 CB THR A 50 -8.903 -4.428 1.601 1.00 0.83 C ATOM 763 OG1 THR A 50 -7.598 -4.445 2.189 1.00 1.25 O ATOM 764 CG2 THR A 50 -9.949 -4.355 2.702 1.00 1.35 C ATOM 0 H THR A 50 -7.687 -6.859 1.664 1.00 0.65 H new ATOM 0 HA THR A 50 -10.201 -5.773 0.571 1.00 0.69 H new ATOM 0 HB THR A 50 -8.996 -3.549 0.963 1.00 0.83 H new ATOM 0 HG1 THR A 50 -7.602 -5.028 2.977 1.00 1.25 H new ATOM 0 HG21 THR A 50 -9.771 -3.471 3.315 1.00 1.35 H new ATOM 0 HG22 THR A 50 -10.942 -4.294 2.257 1.00 1.35 H new ATOM 0 HG23 THR A 50 -9.885 -5.247 3.325 1.00 1.35 H new ATOM 772 N LYS A 51 -9.075 -4.681 -1.499 1.00 0.53 N ATOM 773 CA LYS A 51 -8.591 -4.467 -2.855 1.00 0.52 C ATOM 774 C LYS A 51 -8.058 -3.051 -2.998 1.00 0.51 C ATOM 775 O LYS A 51 -8.665 -2.094 -2.509 1.00 0.56 O ATOM 776 CB LYS A 51 -9.710 -4.725 -3.868 1.00 0.59 C ATOM 777 CG LYS A 51 -10.237 -6.153 -3.845 1.00 0.67 C ATOM 778 CD LYS A 51 -11.386 -6.340 -4.826 1.00 1.19 C ATOM 779 CE LYS A 51 -11.916 -7.768 -4.821 1.00 1.26 C ATOM 780 NZ LYS A 51 -10.895 -8.747 -5.280 1.00 1.84 N ATOM 0 H LYS A 51 -9.919 -4.157 -1.269 1.00 0.53 H new ATOM 0 HA LYS A 51 -7.781 -5.168 -3.055 1.00 0.52 H new ATOM 0 HB2 LYS A 51 -10.534 -4.040 -3.669 1.00 0.59 H new ATOM 0 HB3 LYS A 51 -9.342 -4.499 -4.869 1.00 0.59 H new ATOM 0 HG2 LYS A 51 -9.431 -6.843 -4.092 1.00 0.67 H new ATOM 0 HG3 LYS A 51 -10.573 -6.402 -2.838 1.00 0.67 H new ATOM 0 HD2 LYS A 51 -12.194 -5.653 -4.573 1.00 1.19 H new ATOM 0 HD3 LYS A 51 -11.050 -6.082 -5.830 1.00 1.19 H new ATOM 0 HE2 LYS A 51 -12.241 -8.030 -3.814 1.00 1.26 H new ATOM 0 HE3 LYS A 51 -12.793 -7.831 -5.465 1.00 1.26 H new ATOM 0 HZ1 LYS A 51 -11.343 -9.675 -5.423 1.00 1.84 H new ATOM 0 HZ2 LYS A 51 -10.480 -8.421 -6.176 1.00 1.84 H new ATOM 0 HZ3 LYS A 51 -10.147 -8.831 -4.562 1.00 1.84 H new ATOM 794 N ILE A 52 -6.907 -2.932 -3.640 1.00 0.47 N ATOM 795 CA ILE A 52 -6.196 -1.668 -3.729 1.00 0.46 C ATOM 796 C ILE A 52 -5.756 -1.382 -5.174 1.00 0.46 C ATOM 797 O ILE A 52 -5.783 -2.268 -6.022 1.00 0.52 O ATOM 798 CB ILE A 52 -4.919 -1.700 -2.846 1.00 0.48 C ATOM 799 CG1 ILE A 52 -3.794 -2.483 -3.536 1.00 0.49 C ATOM 800 CG2 ILE A 52 -5.225 -2.327 -1.501 1.00 0.66 C ATOM 801 CD1 ILE A 52 -2.483 -2.489 -2.769 1.00 0.51 C ATOM 0 H ILE A 52 -6.441 -3.707 -4.113 1.00 0.47 H new ATOM 0 HA ILE A 52 -6.879 -0.891 -3.387 1.00 0.46 H new ATOM 0 HB ILE A 52 -4.588 -0.672 -2.697 1.00 0.48 H new ATOM 0 HG12 ILE A 52 -4.120 -3.512 -3.685 1.00 0.49 H new ATOM 0 HG13 ILE A 52 -3.622 -2.057 -4.525 1.00 0.49 H new ATOM 0 HG21 ILE A 52 -4.321 -2.343 -0.893 1.00 0.66 H new ATOM 0 HG22 ILE A 52 -5.993 -1.743 -0.994 1.00 0.66 H new ATOM 0 HG23 ILE A 52 -5.581 -3.347 -1.648 1.00 0.66 H new ATOM 0 HD11 ILE A 52 -1.740 -3.063 -3.323 1.00 0.51 H new ATOM 0 HD12 ILE A 52 -2.131 -1.465 -2.643 1.00 0.51 H new ATOM 0 HD13 ILE A 52 -2.636 -2.943 -1.790 1.00 0.51 H new ATOM 813 N ILE A 53 -5.359 -0.144 -5.434 1.00 0.42 N ATOM 814 CA ILE A 53 -4.670 0.218 -6.687 1.00 0.41 C ATOM 815 C ILE A 53 -3.895 1.524 -6.527 1.00 0.42 C ATOM 816 O ILE A 53 -4.356 2.450 -5.869 1.00 0.44 O ATOM 817 CB ILE A 53 -5.625 0.351 -7.913 1.00 0.40 C ATOM 818 CG1 ILE A 53 -4.921 1.098 -9.064 1.00 0.43 C ATOM 819 CG2 ILE A 53 -6.920 1.046 -7.527 1.00 0.42 C ATOM 820 CD1 ILE A 53 -5.825 1.511 -10.206 1.00 0.98 C ATOM 0 H ILE A 53 -5.499 0.639 -4.795 1.00 0.42 H new ATOM 0 HA ILE A 53 -3.989 -0.609 -6.887 1.00 0.41 H new ATOM 0 HB ILE A 53 -5.879 -0.652 -8.257 1.00 0.40 H new ATOM 0 HG12 ILE A 53 -4.442 1.989 -8.659 1.00 0.43 H new ATOM 0 HG13 ILE A 53 -4.129 0.462 -9.459 1.00 0.43 H new ATOM 0 HG21 ILE A 53 -7.566 1.124 -8.402 1.00 0.42 H new ATOM 0 HG22 ILE A 53 -7.426 0.469 -6.753 1.00 0.42 H new ATOM 0 HG23 ILE A 53 -6.699 2.044 -7.149 1.00 0.42 H new ATOM 0 HD11 ILE A 53 -5.239 2.029 -10.965 1.00 0.98 H new ATOM 0 HD12 ILE A 53 -6.285 0.625 -10.644 1.00 0.98 H new ATOM 0 HD13 ILE A 53 -6.603 2.177 -9.832 1.00 0.98 H new ATOM 832 N MET A 54 -2.724 1.591 -7.143 1.00 0.44 N ATOM 833 CA MET A 54 -1.938 2.817 -7.165 1.00 0.47 C ATOM 834 C MET A 54 -2.246 3.545 -8.457 1.00 0.48 C ATOM 835 O MET A 54 -2.077 2.994 -9.546 1.00 0.54 O ATOM 836 CB MET A 54 -0.438 2.503 -7.061 1.00 0.52 C ATOM 837 CG MET A 54 0.447 3.727 -6.843 1.00 0.60 C ATOM 838 SD MET A 54 0.719 4.701 -8.339 1.00 1.08 S ATOM 839 CE MET A 54 1.733 3.580 -9.299 1.00 1.50 C ATOM 0 H MET A 54 -2.295 0.808 -7.636 1.00 0.44 H new ATOM 0 HA MET A 54 -2.197 3.444 -6.312 1.00 0.47 H new ATOM 0 HB2 MET A 54 -0.281 1.805 -6.239 1.00 0.52 H new ATOM 0 HB3 MET A 54 -0.121 1.998 -7.973 1.00 0.52 H new ATOM 0 HG2 MET A 54 -0.008 4.363 -6.084 1.00 0.60 H new ATOM 0 HG3 MET A 54 1.411 3.402 -6.451 1.00 0.60 H new ATOM 0 HE1 MET A 54 2.201 4.124 -10.119 1.00 1.50 H new ATOM 0 HE2 MET A 54 2.506 3.151 -8.661 1.00 1.50 H new ATOM 0 HE3 MET A 54 1.111 2.781 -9.702 1.00 1.50 H new ATOM 849 N LYS A 55 -2.741 4.759 -8.336 1.00 0.52 N ATOM 850 CA LYS A 55 -3.092 5.551 -9.496 1.00 0.58 C ATOM 851 C LYS A 55 -2.626 6.980 -9.288 1.00 0.66 C ATOM 852 O LYS A 55 -3.141 7.690 -8.420 1.00 0.70 O ATOM 853 CB LYS A 55 -4.604 5.507 -9.747 1.00 0.72 C ATOM 854 CG LYS A 55 -5.008 6.025 -11.121 1.00 0.95 C ATOM 855 CD LYS A 55 -4.416 5.169 -12.230 1.00 0.94 C ATOM 856 CE LYS A 55 -4.702 5.751 -13.604 1.00 1.11 C ATOM 857 NZ LYS A 55 -3.980 5.017 -14.680 1.00 1.69 N ATOM 0 H LYS A 55 -2.910 5.220 -7.442 1.00 0.52 H new ATOM 0 HA LYS A 55 -2.597 5.136 -10.374 1.00 0.58 H new ATOM 0 HB2 LYS A 55 -4.952 4.480 -9.638 1.00 0.72 H new ATOM 0 HB3 LYS A 55 -5.108 6.098 -8.982 1.00 0.72 H new ATOM 0 HG2 LYS A 55 -6.095 6.032 -11.204 1.00 0.95 H new ATOM 0 HG3 LYS A 55 -4.673 7.056 -11.236 1.00 0.95 H new ATOM 0 HD2 LYS A 55 -3.339 5.084 -12.088 1.00 0.94 H new ATOM 0 HD3 LYS A 55 -4.826 4.161 -12.169 1.00 0.94 H new ATOM 0 HE2 LYS A 55 -5.774 5.716 -13.797 1.00 1.11 H new ATOM 0 HE3 LYS A 55 -4.409 6.801 -13.622 1.00 1.11 H new ATOM 0 HZ1 LYS A 55 -4.364 5.293 -15.606 1.00 1.69 H new ATOM 0 HZ2 LYS A 55 -2.967 5.251 -14.641 1.00 1.69 H new ATOM 0 HZ3 LYS A 55 -4.104 3.993 -14.545 1.00 1.69 H new ATOM 871 N GLY A 56 -1.648 7.388 -10.080 1.00 0.77 N ATOM 872 CA GLY A 56 -1.068 8.710 -9.931 1.00 0.93 C ATOM 873 C GLY A 56 -0.302 8.868 -8.630 1.00 0.94 C ATOM 874 O GLY A 56 -0.556 9.802 -7.870 1.00 1.21 O ATOM 0 H GLY A 56 -1.242 6.826 -10.828 1.00 0.77 H new ATOM 0 HA2 GLY A 56 -0.398 8.905 -10.769 1.00 0.93 H new ATOM 0 HA3 GLY A 56 -1.860 9.457 -9.975 1.00 0.93 H new ATOM 878 N ASN A 57 0.625 7.935 -8.372 1.00 0.99 N ATOM 879 CA ASN A 57 1.483 7.938 -7.167 1.00 1.05 C ATOM 880 C ASN A 57 0.707 7.526 -5.917 1.00 0.97 C ATOM 881 O ASN A 57 1.250 6.878 -5.024 1.00 1.15 O ATOM 882 CB ASN A 57 2.141 9.306 -6.924 1.00 1.30 C ATOM 883 CG ASN A 57 2.994 9.778 -8.083 1.00 1.96 C ATOM 884 OD1 ASN A 57 4.175 9.443 -8.181 1.00 2.10 O ATOM 885 ND2 ASN A 57 2.408 10.587 -8.950 1.00 2.90 N ATOM 0 H ASN A 57 0.806 7.148 -8.996 1.00 0.99 H new ATOM 0 HA ASN A 57 2.266 7.204 -7.359 1.00 1.05 H new ATOM 0 HB2 ASN A 57 1.364 10.045 -6.730 1.00 1.30 H new ATOM 0 HB3 ASN A 57 2.758 9.250 -6.027 1.00 1.30 H new ATOM 0 HD21 ASN A 57 2.937 10.959 -9.738 1.00 2.90 H new ATOM 0 HD22 ASN A 57 1.427 10.838 -8.830 1.00 2.90 H new ATOM 892 N GLU A 58 -0.552 7.917 -5.860 1.00 0.86 N ATOM 893 CA GLU A 58 -1.392 7.663 -4.702 1.00 0.84 C ATOM 894 C GLU A 58 -1.897 6.233 -4.705 1.00 0.69 C ATOM 895 O GLU A 58 -1.993 5.598 -5.755 1.00 0.75 O ATOM 896 CB GLU A 58 -2.579 8.621 -4.693 1.00 0.88 C ATOM 897 CG GLU A 58 -2.177 10.082 -4.762 1.00 1.05 C ATOM 898 CD GLU A 58 -3.366 11.016 -4.723 1.00 1.30 C ATOM 899 OE1 GLU A 58 -4.151 11.027 -5.693 1.00 1.63 O ATOM 900 OE2 GLU A 58 -3.513 11.753 -3.723 1.00 1.66 O ATOM 0 H GLU A 58 -1.022 8.419 -6.613 1.00 0.86 H new ATOM 0 HA GLU A 58 -0.790 7.821 -3.807 1.00 0.84 H new ATOM 0 HB2 GLU A 58 -3.228 8.391 -5.538 1.00 0.88 H new ATOM 0 HB3 GLU A 58 -3.163 8.455 -3.788 1.00 0.88 H new ATOM 0 HG2 GLU A 58 -1.512 10.312 -3.929 1.00 1.05 H new ATOM 0 HG3 GLU A 58 -1.613 10.257 -5.678 1.00 1.05 H new ATOM 907 N ILE A 59 -2.239 5.740 -3.530 1.00 0.64 N ATOM 908 CA ILE A 59 -2.723 4.388 -3.401 1.00 0.56 C ATOM 909 C ILE A 59 -4.185 4.405 -2.964 1.00 0.55 C ATOM 910 O ILE A 59 -4.574 5.131 -2.048 1.00 0.63 O ATOM 911 CB ILE A 59 -1.843 3.563 -2.412 1.00 0.62 C ATOM 912 CG1 ILE A 59 -1.568 2.159 -2.967 1.00 0.79 C ATOM 913 CG2 ILE A 59 -2.461 3.469 -1.021 1.00 0.58 C ATOM 914 CD1 ILE A 59 -2.789 1.276 -3.068 1.00 0.92 C ATOM 0 H ILE A 59 -2.189 6.259 -2.654 1.00 0.64 H new ATOM 0 HA ILE A 59 -2.655 3.897 -4.372 1.00 0.56 H new ATOM 0 HB ILE A 59 -0.899 4.098 -2.312 1.00 0.62 H new ATOM 0 HG12 ILE A 59 -1.121 2.254 -3.957 1.00 0.79 H new ATOM 0 HG13 ILE A 59 -0.832 1.668 -2.331 1.00 0.79 H new ATOM 0 HG21 ILE A 59 -1.809 2.885 -0.372 1.00 0.58 H new ATOM 0 HG22 ILE A 59 -2.581 4.470 -0.608 1.00 0.58 H new ATOM 0 HG23 ILE A 59 -3.435 2.985 -1.088 1.00 0.58 H new ATOM 0 HD11 ILE A 59 -2.503 0.304 -3.469 1.00 0.92 H new ATOM 0 HD12 ILE A 59 -3.226 1.145 -2.078 1.00 0.92 H new ATOM 0 HD13 ILE A 59 -3.520 1.741 -3.729 1.00 0.92 H new ATOM 926 N PHE A 60 -5.000 3.667 -3.678 1.00 0.48 N ATOM 927 CA PHE A 60 -6.349 3.408 -3.247 1.00 0.48 C ATOM 928 C PHE A 60 -6.377 2.101 -2.485 1.00 0.48 C ATOM 929 O PHE A 60 -6.057 1.052 -3.018 1.00 0.45 O ATOM 930 CB PHE A 60 -7.327 3.360 -4.438 1.00 0.50 C ATOM 931 CG PHE A 60 -8.428 2.337 -4.289 1.00 0.48 C ATOM 932 CD1 PHE A 60 -8.232 1.050 -4.750 1.00 0.44 C ATOM 933 CD2 PHE A 60 -9.638 2.647 -3.690 1.00 0.69 C ATOM 934 CE1 PHE A 60 -9.197 0.086 -4.623 1.00 0.47 C ATOM 935 CE2 PHE A 60 -10.622 1.678 -3.560 1.00 0.71 C ATOM 936 CZ PHE A 60 -10.393 0.392 -4.029 1.00 0.54 C ATOM 0 H PHE A 60 -4.748 3.233 -4.566 1.00 0.48 H new ATOM 0 HA PHE A 60 -6.673 4.223 -2.599 1.00 0.48 H new ATOM 0 HB2 PHE A 60 -7.776 4.345 -4.566 1.00 0.50 H new ATOM 0 HB3 PHE A 60 -6.766 3.145 -5.347 1.00 0.50 H new ATOM 0 HD1 PHE A 60 -7.294 0.797 -5.223 1.00 0.44 H new ATOM 0 HD2 PHE A 60 -9.816 3.647 -3.323 1.00 0.69 H new ATOM 0 HE1 PHE A 60 -9.015 -0.913 -4.990 1.00 0.47 H new ATOM 0 HE2 PHE A 60 -11.565 1.924 -3.094 1.00 0.71 H new ATOM 0 HZ PHE A 60 -11.156 -0.366 -3.926 1.00 0.54 H new ATOM 946 N ARG A 61 -6.645 2.200 -1.219 1.00 0.60 N ATOM 947 CA ARG A 61 -7.118 1.076 -0.445 1.00 0.70 C ATOM 948 C ARG A 61 -8.163 1.635 0.473 1.00 0.69 C ATOM 949 O ARG A 61 -7.796 2.331 1.423 1.00 0.88 O ATOM 950 CB ARG A 61 -5.986 0.418 0.360 1.00 1.03 C ATOM 951 CG ARG A 61 -6.397 -0.862 1.093 1.00 1.21 C ATOM 952 CD ARG A 61 -6.938 -0.598 2.488 1.00 1.51 C ATOM 953 NE ARG A 61 -7.076 -1.834 3.261 1.00 2.25 N ATOM 954 CZ ARG A 61 -6.935 -1.905 4.587 1.00 2.70 C ATOM 955 NH1 ARG A 61 -6.648 -0.815 5.288 1.00 2.72 N ATOM 956 NH2 ARG A 61 -7.061 -3.069 5.209 1.00 3.56 N ATOM 0 H ARG A 61 -6.544 3.063 -0.685 1.00 0.60 H new ATOM 0 HA ARG A 61 -7.514 0.295 -1.094 1.00 0.70 H new ATOM 0 HB2 ARG A 61 -5.162 0.188 -0.315 1.00 1.03 H new ATOM 0 HB3 ARG A 61 -5.610 1.136 1.089 1.00 1.03 H new ATOM 0 HG2 ARG A 61 -7.155 -1.382 0.507 1.00 1.21 H new ATOM 0 HG3 ARG A 61 -5.536 -1.527 1.163 1.00 1.21 H new ATOM 0 HD2 ARG A 61 -6.271 0.086 3.013 1.00 1.51 H new ATOM 0 HD3 ARG A 61 -7.907 -0.105 2.415 1.00 1.51 H new ATOM 0 HE ARG A 61 -7.293 -2.693 2.756 1.00 2.25 H new ATOM 0 HH11 ARG A 61 -6.534 0.081 4.814 1.00 2.72 H new ATOM 0 HH12 ARG A 61 -6.541 -0.873 6.301 1.00 2.72 H new ATOM 0 HH21 ARG A 61 -7.266 -3.913 4.675 1.00 3.56 H new ATOM 0 HH22 ARG A 61 -6.953 -3.120 6.222 1.00 3.56 H new ATOM 970 N LEU A 62 -9.445 1.416 0.188 1.00 0.78 N ATOM 971 CA LEU A 62 -10.525 2.014 0.988 1.00 1.07 C ATOM 972 C LEU A 62 -10.696 3.493 0.683 1.00 1.19 C ATOM 973 O LEU A 62 -11.818 3.998 0.669 1.00 1.40 O ATOM 974 CB LEU A 62 -10.305 1.838 2.483 1.00 1.26 C ATOM 975 CG LEU A 62 -11.001 0.639 3.104 1.00 1.08 C ATOM 976 CD1 LEU A 62 -12.505 0.747 2.904 1.00 1.36 C ATOM 977 CD2 LEU A 62 -10.473 -0.661 2.515 1.00 1.32 C ATOM 0 H LEU A 62 -9.766 0.833 -0.585 1.00 0.78 H new ATOM 0 HA LEU A 62 -11.432 1.480 0.706 1.00 1.07 H new ATOM 0 HB2 LEU A 62 -9.234 1.752 2.669 1.00 1.26 H new ATOM 0 HB3 LEU A 62 -10.646 2.739 2.992 1.00 1.26 H new ATOM 0 HG LEU A 62 -10.789 0.632 4.173 1.00 1.08 H new ATOM 0 HD11 LEU A 62 -12.995 -0.117 3.353 1.00 1.36 H new ATOM 0 HD12 LEU A 62 -12.871 1.658 3.378 1.00 1.36 H new ATOM 0 HD13 LEU A 62 -12.729 0.778 1.838 1.00 1.36 H new ATOM 0 HD21 LEU A 62 -10.987 -1.504 2.976 1.00 1.32 H new ATOM 0 HD22 LEU A 62 -10.650 -0.672 1.440 1.00 1.32 H new ATOM 0 HD23 LEU A 62 -9.403 -0.739 2.707 1.00 1.32 H new ATOM 989 N ASP A 63 -9.573 4.174 0.478 1.00 1.20 N ATOM 990 CA ASP A 63 -9.542 5.597 0.139 1.00 1.33 C ATOM 991 C ASP A 63 -9.814 6.460 1.358 1.00 1.52 C ATOM 992 O ASP A 63 -8.985 7.276 1.751 1.00 2.14 O ATOM 993 CB ASP A 63 -10.528 5.926 -0.989 1.00 1.34 C ATOM 994 CG ASP A 63 -10.666 7.417 -1.227 1.00 1.60 C ATOM 995 OD1 ASP A 63 -9.845 7.985 -1.974 1.00 1.69 O ATOM 996 OD2 ASP A 63 -11.599 8.025 -0.665 1.00 1.88 O ATOM 0 H ASP A 63 -8.647 3.751 0.543 1.00 1.20 H new ATOM 0 HA ASP A 63 -8.537 5.823 -0.218 1.00 1.33 H new ATOM 0 HB2 ASP A 63 -10.196 5.444 -1.909 1.00 1.34 H new ATOM 0 HB3 ASP A 63 -11.505 5.509 -0.746 1.00 1.34 H new ATOM 1001 N GLU A 64 -10.952 6.241 1.981 1.00 1.62 N ATOM 1002 CA GLU A 64 -11.365 7.047 3.119 1.00 1.93 C ATOM 1003 C GLU A 64 -10.617 6.618 4.376 1.00 1.82 C ATOM 1004 O GLU A 64 -10.413 7.420 5.288 1.00 2.06 O ATOM 1005 CB GLU A 64 -12.879 6.958 3.326 1.00 2.31 C ATOM 1006 CG GLU A 64 -13.404 7.923 4.375 1.00 2.80 C ATOM 1007 CD GLU A 64 -14.914 7.966 4.425 1.00 3.36 C ATOM 1008 OE1 GLU A 64 -15.520 7.037 4.996 1.00 3.80 O ATOM 1009 OE2 GLU A 64 -15.501 8.928 3.891 1.00 3.77 O ATOM 0 H GLU A 64 -11.613 5.509 1.720 1.00 1.62 H new ATOM 0 HA GLU A 64 -11.115 8.088 2.912 1.00 1.93 H new ATOM 0 HB2 GLU A 64 -13.380 7.156 2.378 1.00 2.31 H new ATOM 0 HB3 GLU A 64 -13.139 5.940 3.617 1.00 2.31 H new ATOM 0 HG2 GLU A 64 -13.020 7.634 5.353 1.00 2.80 H new ATOM 0 HG3 GLU A 64 -13.023 8.923 4.166 1.00 2.80 H new ATOM 1016 N ALA A 65 -10.188 5.355 4.408 1.00 1.56 N ATOM 1017 CA ALA A 65 -9.394 4.834 5.518 1.00 1.58 C ATOM 1018 C ALA A 65 -8.107 5.625 5.682 1.00 1.62 C ATOM 1019 O ALA A 65 -7.640 5.864 6.789 1.00 1.76 O ATOM 1020 CB ALA A 65 -9.049 3.371 5.293 1.00 1.52 C ATOM 0 H ALA A 65 -10.379 4.673 3.674 1.00 1.56 H new ATOM 0 HA ALA A 65 -9.994 4.931 6.423 1.00 1.58 H new ATOM 0 HB1 ALA A 65 -8.458 3.004 6.132 1.00 1.52 H new ATOM 0 HB2 ALA A 65 -9.967 2.789 5.214 1.00 1.52 H new ATOM 0 HB3 ALA A 65 -8.475 3.270 4.372 1.00 1.52 H new ATOM 1026 N LEU A 66 -7.537 6.007 4.554 1.00 1.64 N ATOM 1027 CA LEU A 66 -6.280 6.737 4.534 1.00 1.88 C ATOM 1028 C LEU A 66 -6.532 8.237 4.413 1.00 2.10 C ATOM 1029 O LEU A 66 -5.653 9.054 4.692 1.00 2.36 O ATOM 1030 CB LEU A 66 -5.414 6.206 3.389 1.00 2.16 C ATOM 1031 CG LEU A 66 -5.923 6.521 1.992 1.00 1.52 C ATOM 1032 CD1 LEU A 66 -5.275 7.797 1.504 1.00 1.76 C ATOM 1033 CD2 LEU A 66 -5.659 5.358 1.048 1.00 1.84 C ATOM 0 H LEU A 66 -7.928 5.822 3.630 1.00 1.64 H new ATOM 0 HA LEU A 66 -5.745 6.583 5.471 1.00 1.88 H new ATOM 0 HB2 LEU A 66 -4.410 6.617 3.494 1.00 2.16 H new ATOM 0 HB3 LEU A 66 -5.328 5.124 3.492 1.00 2.16 H new ATOM 0 HG LEU A 66 -7.003 6.668 2.020 1.00 1.52 H new ATOM 0 HD11 LEU A 66 -5.636 8.028 0.502 1.00 1.76 H new ATOM 0 HD12 LEU A 66 -5.528 8.615 2.179 1.00 1.76 H new ATOM 0 HD13 LEU A 66 -4.193 7.669 1.479 1.00 1.76 H new ATOM 0 HD21 LEU A 66 -6.031 5.605 0.054 1.00 1.84 H new ATOM 0 HD22 LEU A 66 -4.587 5.167 0.997 1.00 1.84 H new ATOM 0 HD23 LEU A 66 -6.169 4.468 1.416 1.00 1.84 H new ATOM 1045 N ARG A 67 -7.745 8.586 4.002 1.00 2.14 N ATOM 1046 CA ARG A 67 -8.149 9.978 3.875 1.00 2.52 C ATOM 1047 C ARG A 67 -8.328 10.611 5.250 1.00 2.72 C ATOM 1048 O ARG A 67 -7.739 11.650 5.551 1.00 3.05 O ATOM 1049 CB ARG A 67 -9.460 10.072 3.087 1.00 2.77 C ATOM 1050 CG ARG A 67 -9.990 11.485 2.944 1.00 3.00 C ATOM 1051 CD ARG A 67 -11.365 11.506 2.296 1.00 3.22 C ATOM 1052 NE ARG A 67 -11.407 10.784 1.026 1.00 3.39 N ATOM 1053 CZ ARG A 67 -11.760 11.334 -0.135 1.00 3.94 C ATOM 1054 NH1 ARG A 67 -11.970 12.642 -0.232 1.00 4.45 N ATOM 1055 NH2 ARG A 67 -11.878 10.577 -1.209 1.00 4.37 N ATOM 0 H ARG A 67 -8.471 7.916 3.749 1.00 2.14 H new ATOM 0 HA ARG A 67 -7.367 10.518 3.341 1.00 2.52 H new ATOM 0 HB2 ARG A 67 -9.307 9.650 2.094 1.00 2.77 H new ATOM 0 HB3 ARG A 67 -10.214 9.460 3.581 1.00 2.77 H new ATOM 0 HG2 ARG A 67 -10.043 11.955 3.926 1.00 3.00 H new ATOM 0 HG3 ARG A 67 -9.296 12.075 2.345 1.00 3.00 H new ATOM 0 HD2 ARG A 67 -12.091 11.068 2.981 1.00 3.22 H new ATOM 0 HD3 ARG A 67 -11.667 12.540 2.130 1.00 3.22 H new ATOM 0 HE ARG A 67 -11.150 9.797 1.029 1.00 3.39 H new ATOM 0 HH11 ARG A 67 -11.861 13.238 0.588 1.00 4.45 H new ATOM 0 HH12 ARG A 67 -12.240 13.050 -1.127 1.00 4.45 H new ATOM 0 HH21 ARG A 67 -11.699 9.575 -1.149 1.00 4.37 H new ATOM 0 HH22 ARG A 67 -12.148 10.994 -2.100 1.00 4.37 H new ATOM 1069 N LYS A 68 -9.148 9.976 6.077 1.00 2.79 N ATOM 1070 CA LYS A 68 -9.450 10.484 7.407 1.00 3.26 C ATOM 1071 C LYS A 68 -9.500 9.336 8.406 1.00 3.31 C ATOM 1072 O LYS A 68 -9.212 8.191 8.059 1.00 3.49 O ATOM 1073 CB LYS A 68 -10.794 11.221 7.406 1.00 3.73 C ATOM 1074 CG LYS A 68 -10.846 12.424 6.478 1.00 4.12 C ATOM 1075 CD LYS A 68 -12.211 13.087 6.522 1.00 4.65 C ATOM 1076 CE LYS A 68 -12.305 14.262 5.562 1.00 5.37 C ATOM 1077 NZ LYS A 68 -13.649 14.894 5.608 1.00 5.92 N ATOM 0 H LYS A 68 -9.619 9.101 5.847 1.00 2.79 H new ATOM 0 HA LYS A 68 -8.663 11.181 7.696 1.00 3.26 H new ATOM 0 HB2 LYS A 68 -11.579 10.521 7.119 1.00 3.73 H new ATOM 0 HB3 LYS A 68 -11.016 11.550 8.421 1.00 3.73 H new ATOM 0 HG2 LYS A 68 -10.079 13.143 6.766 1.00 4.12 H new ATOM 0 HG3 LYS A 68 -10.623 12.111 5.458 1.00 4.12 H new ATOM 0 HD2 LYS A 68 -12.978 12.354 6.274 1.00 4.65 H new ATOM 0 HD3 LYS A 68 -12.415 13.430 7.536 1.00 4.65 H new ATOM 0 HE2 LYS A 68 -11.545 15.001 5.814 1.00 5.37 H new ATOM 0 HE3 LYS A 68 -12.095 13.923 4.548 1.00 5.37 H new ATOM 0 HZ1 LYS A 68 -13.680 15.692 4.942 1.00 5.92 H new ATOM 0 HZ2 LYS A 68 -14.371 14.194 5.344 1.00 5.92 H new ATOM 0 HZ3 LYS A 68 -13.838 15.239 6.571 1.00 5.92 H new ATOM 1091 N GLY A 69 -9.870 9.642 9.640 1.00 3.64 N ATOM 1092 CA GLY A 69 -10.003 8.616 10.648 1.00 4.05 C ATOM 1093 C GLY A 69 -8.716 8.387 11.409 1.00 4.58 C ATOM 1094 O GLY A 69 -7.808 9.223 11.363 1.00 5.06 O ATOM 0 H GLY A 69 -10.081 10.587 9.961 1.00 3.64 H new ATOM 0 HA2 GLY A 69 -10.791 8.897 11.347 1.00 4.05 H new ATOM 0 HA3 GLY A 69 -10.314 7.684 10.176 1.00 4.05 H new ATOM 1098 N HIS A 70 -8.641 7.245 12.097 1.00 4.87 N ATOM 1099 CA HIS A 70 -7.476 6.859 12.907 1.00 5.68 C ATOM 1100 C HIS A 70 -7.375 7.701 14.174 1.00 6.44 C ATOM 1101 O HIS A 70 -7.488 7.185 15.287 1.00 6.88 O ATOM 1102 CB HIS A 70 -6.166 6.960 12.112 1.00 5.88 C ATOM 1103 CG HIS A 70 -6.087 6.034 10.941 1.00 5.93 C ATOM 1104 ND1 HIS A 70 -5.410 4.835 10.973 1.00 6.60 N ATOM 1105 CD2 HIS A 70 -6.602 6.135 9.696 1.00 5.65 C ATOM 1106 CE1 HIS A 70 -5.507 4.246 9.798 1.00 6.67 C ATOM 1107 NE2 HIS A 70 -6.229 5.012 9.004 1.00 6.10 N ATOM 0 H HIS A 70 -9.392 6.555 12.110 1.00 4.87 H new ATOM 0 HA HIS A 70 -7.626 5.817 13.188 1.00 5.68 H new ATOM 0 HB2 HIS A 70 -6.046 7.984 11.760 1.00 5.88 H new ATOM 0 HB3 HIS A 70 -5.331 6.753 12.781 1.00 5.88 H new ATOM 0 HD2 HIS A 70 -7.198 6.951 9.316 1.00 5.65 H new ATOM 0 HE1 HIS A 70 -5.069 3.296 9.531 1.00 6.67 H new ATOM 0 HE2 HIS A 70 -6.470 4.803 8.035 1.00 6.10 H new ATOM 1116 N SER A 71 -7.174 8.996 14.001 1.00 6.86 N ATOM 1117 CA SER A 71 -6.958 9.893 15.118 1.00 7.78 C ATOM 1118 C SER A 71 -7.948 11.055 15.063 1.00 8.28 C ATOM 1119 O SER A 71 -8.662 11.228 14.071 1.00 8.52 O ATOM 1120 CB SER A 71 -5.516 10.407 15.091 1.00 8.22 C ATOM 1121 OG SER A 71 -5.214 11.176 16.241 1.00 8.32 O ATOM 0 H SER A 71 -7.156 9.451 13.088 1.00 6.86 H new ATOM 0 HA SER A 71 -7.122 9.353 16.051 1.00 7.78 H new ATOM 0 HB2 SER A 71 -4.830 9.563 15.027 1.00 8.22 H new ATOM 0 HB3 SER A 71 -5.362 11.012 14.197 1.00 8.22 H new ATOM 0 HG SER A 71 -4.306 10.968 16.544 1.00 8.32 H new ATOM 1127 N GLU A 72 -7.983 11.842 16.128 1.00 8.69 N ATOM 1128 CA GLU A 72 -8.875 12.987 16.209 1.00 9.41 C ATOM 1129 C GLU A 72 -8.097 14.290 16.050 1.00 10.13 C ATOM 1130 O GLU A 72 -8.584 15.244 15.442 1.00 10.75 O ATOM 1131 CB GLU A 72 -9.666 12.981 17.529 1.00 9.75 C ATOM 1132 CG GLU A 72 -9.064 12.117 18.636 1.00 9.88 C ATOM 1133 CD GLU A 72 -7.732 12.624 19.150 1.00 10.01 C ATOM 1134 OE1 GLU A 72 -6.693 12.293 18.540 1.00 9.88 O ATOM 1135 OE2 GLU A 72 -7.713 13.332 20.172 1.00 10.45 O ATOM 0 H GLU A 72 -7.399 11.706 16.953 1.00 8.69 H new ATOM 0 HA GLU A 72 -9.590 12.914 15.390 1.00 9.41 H new ATOM 0 HB2 GLU A 72 -9.747 14.006 17.892 1.00 9.75 H new ATOM 0 HB3 GLU A 72 -10.679 12.633 17.327 1.00 9.75 H new ATOM 0 HG2 GLU A 72 -9.768 12.065 19.467 1.00 9.88 H new ATOM 0 HG3 GLU A 72 -8.936 11.101 18.262 1.00 9.88 H new ATOM 1142 N GLY A 73 -6.881 14.323 16.581 1.00 10.25 N ATOM 1143 CA GLY A 73 -6.068 15.518 16.478 1.00 11.09 C ATOM 1144 C GLY A 73 -4.590 15.236 16.649 1.00 11.37 C ATOM 1145 O GLY A 73 -3.854 16.051 17.209 1.00 11.62 O ATOM 0 H GLY A 73 -6.445 13.547 17.079 1.00 10.25 H new ATOM 0 HA2 GLY A 73 -6.235 15.983 15.507 1.00 11.09 H new ATOM 0 HA3 GLY A 73 -6.387 16.236 17.234 1.00 11.09 H new ATOM 1149 N GLY A 74 -4.151 14.083 16.168 1.00 11.55 N ATOM 1150 CA GLY A 74 -2.752 13.727 16.273 1.00 12.06 C ATOM 1151 C GLY A 74 -2.457 12.392 15.629 1.00 12.56 C ATOM 1152 O GLY A 74 -2.570 11.361 16.324 1.00 12.99 O ATOM 1153 OXT GLY A 74 -2.125 12.363 14.427 1.00 12.71 O ATOM 0 H GLY A 74 -4.738 13.388 15.707 1.00 11.55 H new ATOM 0 HA2 GLY A 74 -2.145 14.499 15.800 1.00 12.06 H new ATOM 0 HA3 GLY A 74 -2.464 13.694 17.324 1.00 12.06 H new TER 1157 GLY A 74