USER MOD reduce.3.24.130724 H: found=0, std=0, add=1103, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1103 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 Single : A 1 MET CE :methyl -160:sc= 0 (180deg=-0.307) USER MOD Single : A 1 MET N :NH3+ -102:sc= 0.0863 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -175:sc= 0.932 (180deg=0.646) USER MOD Single : A 8 ASN : amide:sc= -0.039 X(o=-0.039,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.944 USER MOD Single : A 10 ASN : amide:sc= 0.304 K(o=0.3,f=-0.34) USER MOD Single : A 11 ASN : amide:sc= 0.389 K(o=0.39,f=-5!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -145:sc= 0.625 (180deg=0.0204) USER MOD Single : A 19 LYS NZ :NH3+ 165:sc= 0.652 (180deg=0.504) USER MOD Single : A 20 LYS NZ :NH3+ 174:sc=-0.00307 (180deg=-0.0713) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.191 F(o=-1.2,f=-0.19) USER MOD Single : A 25 GLN : amide:sc= 0.107 X(o=0.11,f=-0.015) USER MOD Single : A 27 TYR OH : rot 30:sc=-0.00339 USER MOD Single : A 28 GLN : amide:sc=-0.00507 X(o=-0.0051,f=-0.0051) USER MOD Single : A 33 ASN : amide:sc= -0.259 K(o=-0.26,f=-1.5) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 144:sc= -0.224 (180deg=-1.08) USER MOD Single : A 42 MET CE :methyl -122:sc= -0.87 (180deg=-2.1!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -123:sc= 0.599 (180deg=0.0174) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 53 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0078) USER MOD Single : A 57 LYS NZ :NH3+ -119:sc= 0.823 (180deg=0.158) USER MOD Single : A 58 SER OG : rot 130:sc= -0.443 USER MOD Single : A 59 ASN : amide:sc= 0.195 X(o=0.2,f=0) USER MOD Single : A 61 LYS NZ :NH3+ -119:sc= 0.76 (180deg=-0.295) USER MOD Single : A 62 GLN : amide:sc= -0.28 X(o=-0.28,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -121:sc= 0.141 (180deg=-0.0314) USER MOD Single : A 67 MET CE :methyl -169:sc= -0.0289 (180deg=-0.351) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 141:sc= -0.678 (180deg=-2.52!) USER MOD Single : A 76 TYR OH : rot 15:sc= -0.514 USER MOD Single : A 77 LYS NZ :NH3+ 165:sc= -0.907 (180deg=-1.54) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 94 LYS NZ :NH3+ -118:sc= -0.108 (180deg=-0.294) USER MOD Single : A 96 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.01) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.131 K(o=-0.13,f=-2.6) USER MOD Single : A 102 TYR OH : rot -125:sc= -0.116 USER MOD Single : A 106 LYS NZ :NH3+ 156:sc= -1.59! (180deg=-3.07!) USER MOD Single : A 108 THR OG1 : rot 140:sc= -0.719 USER MOD Single : A 115 LYS NZ :NH3+ -150:sc= 0.585 (180deg=-0.17) USER MOD Single : A 121 MET CE :methyl 177:sc= 0 (180deg=-0.0265) USER MOD Single : A 122 GLN : amide:sc= 0.011 X(o=0.011,f=-0.0056) USER MOD Single : A 123 LYS NZ :NH3+ -154:sc= 0.972 (180deg=0.209) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.912 9.465 14.346 1.00 2.50 N ATOM 2 CA MET A 1 2.402 9.553 12.954 1.00 73.31 C ATOM 3 C MET A 1 3.228 8.308 12.644 1.00 5.43 C ATOM 4 O MET A 1 3.984 7.858 13.501 1.00 1.14 O ATOM 5 CB MET A 1 3.242 10.856 12.757 1.00 20.45 C ATOM 6 CG MET A 1 4.058 10.930 11.448 1.00 24.21 C ATOM 7 SD MET A 1 3.044 10.715 9.967 1.00 13.42 S ATOM 8 CE MET A 1 4.294 10.585 8.682 1.00 3.22 C ATOM 0 H1 MET A 1 0.913 9.176 14.345 1.00 2.50 H new ATOM 0 H2 MET A 1 2.475 8.764 14.868 1.00 2.50 H new ATOM 0 H3 MET A 1 2.003 10.394 14.805 1.00 2.50 H new ATOM 0 HA MET A 1 1.560 9.600 12.264 1.00 73.31 H new ATOM 0 HB2 MET A 1 2.567 11.711 12.793 1.00 20.45 H new ATOM 0 HB3 MET A 1 3.928 10.956 13.598 1.00 20.45 H new ATOM 0 HG2 MET A 1 4.565 11.893 11.397 1.00 24.21 H new ATOM 0 HG3 MET A 1 4.832 10.163 11.466 1.00 24.21 H new ATOM 0 HE1 MET A 1 3.844 10.805 7.714 1.00 3.22 H new ATOM 0 HE2 MET A 1 5.095 11.297 8.880 1.00 3.22 H new ATOM 0 HE3 MET A 1 4.702 9.574 8.672 1.00 3.22 H new ATOM 20 N LYS A 2 3.078 7.759 11.423 1.00 31.35 N ATOM 21 CA LYS A 2 3.861 6.607 10.956 1.00 62.14 C ATOM 22 C LYS A 2 3.880 6.563 9.418 1.00 72.02 C ATOM 23 O LYS A 2 3.226 7.373 8.748 1.00 43.41 O ATOM 24 CB LYS A 2 3.326 5.258 11.529 1.00 73.32 C ATOM 25 CG LYS A 2 1.924 4.821 11.030 1.00 60.31 C ATOM 26 CD LYS A 2 0.762 5.255 11.948 1.00 1.22 C ATOM 27 CE LYS A 2 0.774 4.509 13.290 1.00 43.10 C ATOM 28 NZ LYS A 2 -0.463 4.756 14.061 1.00 75.30 N ATOM 0 H LYS A 2 2.409 8.105 10.735 1.00 31.35 H new ATOM 0 HA LYS A 2 4.878 6.735 11.326 1.00 62.14 H new ATOM 0 HB2 LYS A 2 4.040 4.472 11.283 1.00 73.32 H new ATOM 0 HB3 LYS A 2 3.297 5.333 12.616 1.00 73.32 H new ATOM 0 HG2 LYS A 2 1.760 5.234 10.035 1.00 60.31 H new ATOM 0 HG3 LYS A 2 1.908 3.736 10.931 1.00 60.31 H new ATOM 0 HD2 LYS A 2 0.826 6.328 12.130 1.00 1.22 H new ATOM 0 HD3 LYS A 2 -0.186 5.074 11.442 1.00 1.22 H new ATOM 0 HE2 LYS A 2 0.885 3.439 13.111 1.00 43.10 H new ATOM 0 HE3 LYS A 2 1.637 4.825 13.875 1.00 43.10 H new ATOM 0 HZ1 LYS A 2 -0.385 4.307 14.996 1.00 75.30 H new ATOM 0 HZ2 LYS A 2 -0.600 5.780 14.179 1.00 75.30 H new ATOM 0 HZ3 LYS A 2 -1.276 4.355 13.551 1.00 75.30 H new ATOM 42 N ILE A 3 4.637 5.600 8.874 1.00 55.03 N ATOM 43 CA ILE A 3 4.810 5.410 7.424 1.00 20.24 C ATOM 44 C ILE A 3 4.093 4.120 6.990 1.00 5.40 C ATOM 45 O ILE A 3 4.332 3.064 7.571 1.00 33.23 O ATOM 46 CB ILE A 3 6.339 5.321 7.063 1.00 14.15 C ATOM 47 CG1 ILE A 3 7.077 6.619 7.523 1.00 31.41 C ATOM 48 CG2 ILE A 3 6.559 5.050 5.552 1.00 54.24 C ATOM 49 CD1 ILE A 3 8.578 6.597 7.328 1.00 22.45 C ATOM 0 H ILE A 3 5.153 4.922 9.434 1.00 55.03 H new ATOM 0 HA ILE A 3 4.379 6.262 6.898 1.00 20.24 H new ATOM 0 HB ILE A 3 6.765 4.473 7.599 1.00 14.15 H new ATOM 0 HG12 ILE A 3 6.666 7.467 6.976 1.00 31.41 H new ATOM 0 HG13 ILE A 3 6.864 6.787 8.579 1.00 31.41 H new ATOM 0 HG21 ILE A 3 7.628 4.996 5.344 1.00 54.24 H new ATOM 0 HG22 ILE A 3 6.088 4.106 5.279 1.00 54.24 H new ATOM 0 HG23 ILE A 3 6.117 5.858 4.969 1.00 54.24 H new ATOM 0 HD11 ILE A 3 9.004 7.538 7.675 1.00 22.45 H new ATOM 0 HD12 ILE A 3 9.007 5.773 7.898 1.00 22.45 H new ATOM 0 HD13 ILE A 3 8.806 6.464 6.270 1.00 22.45 H new ATOM 61 N LEU A 4 3.183 4.220 6.010 1.00 4.13 N ATOM 62 CA LEU A 4 2.520 3.051 5.399 1.00 22.24 C ATOM 63 C LEU A 4 2.968 2.907 3.946 1.00 23.32 C ATOM 64 O LEU A 4 3.077 3.905 3.234 1.00 75.34 O ATOM 65 CB LEU A 4 0.959 3.165 5.446 1.00 74.13 C ATOM 66 CG LEU A 4 0.258 2.821 6.804 1.00 4.13 C ATOM 67 CD1 LEU A 4 0.679 3.766 7.937 1.00 33.43 C ATOM 68 CD2 LEU A 4 -1.274 2.802 6.632 1.00 12.43 C ATOM 0 H LEU A 4 2.884 5.112 5.616 1.00 4.13 H new ATOM 0 HA LEU A 4 2.810 2.174 5.977 1.00 22.24 H new ATOM 0 HB2 LEU A 4 0.686 4.184 5.173 1.00 74.13 H new ATOM 0 HB3 LEU A 4 0.549 2.509 4.678 1.00 74.13 H new ATOM 0 HG LEU A 4 0.587 1.823 7.095 1.00 4.13 H new ATOM 0 HD11 LEU A 4 0.165 3.484 8.856 1.00 33.43 H new ATOM 0 HD12 LEU A 4 1.756 3.696 8.088 1.00 33.43 H new ATOM 0 HD13 LEU A 4 0.416 4.790 7.673 1.00 33.43 H new ATOM 0 HD21 LEU A 4 -1.744 2.561 7.585 1.00 12.43 H new ATOM 0 HD22 LEU A 4 -1.615 3.782 6.296 1.00 12.43 H new ATOM 0 HD23 LEU A 4 -1.548 2.050 5.892 1.00 12.43 H new ATOM 80 N ILE A 5 3.245 1.665 3.525 1.00 71.31 N ATOM 81 CA ILE A 5 3.324 1.304 2.106 1.00 32.41 C ATOM 82 C ILE A 5 2.186 0.307 1.830 1.00 42.11 C ATOM 83 O ILE A 5 2.252 -0.854 2.233 1.00 35.12 O ATOM 84 CB ILE A 5 4.723 0.704 1.670 1.00 63.24 C ATOM 85 CG1 ILE A 5 5.894 1.668 2.051 1.00 3.34 C ATOM 86 CG2 ILE A 5 4.735 0.404 0.141 1.00 31.13 C ATOM 87 CD1 ILE A 5 7.274 1.232 1.574 1.00 71.40 C ATOM 0 H ILE A 5 3.420 0.885 4.159 1.00 71.31 H new ATOM 0 HA ILE A 5 3.220 2.211 1.510 1.00 32.41 H new ATOM 0 HB ILE A 5 4.871 -0.232 2.209 1.00 63.24 H new ATOM 0 HG12 ILE A 5 5.680 2.654 1.640 1.00 3.34 H new ATOM 0 HG13 ILE A 5 5.918 1.773 3.136 1.00 3.34 H new ATOM 0 HG21 ILE A 5 5.704 -0.008 -0.141 1.00 31.13 H new ATOM 0 HG22 ILE A 5 3.952 -0.317 -0.095 1.00 31.13 H new ATOM 0 HG23 ILE A 5 4.558 1.326 -0.412 1.00 31.13 H new ATOM 0 HD11 ILE A 5 8.016 1.966 1.888 1.00 71.40 H new ATOM 0 HD12 ILE A 5 7.518 0.261 2.006 1.00 71.40 H new ATOM 0 HD13 ILE A 5 7.276 1.156 0.487 1.00 71.40 H new ATOM 99 N LEU A 6 1.128 0.805 1.191 1.00 12.03 N ATOM 100 CA LEU A 6 -0.073 0.046 0.865 1.00 24.50 C ATOM 101 C LEU A 6 0.144 -0.686 -0.477 1.00 51.31 C ATOM 102 O LEU A 6 0.570 -0.083 -1.463 1.00 51.43 O ATOM 103 CB LEU A 6 -1.289 1.029 0.788 1.00 2.14 C ATOM 104 CG LEU A 6 -2.607 0.585 1.482 1.00 13.21 C ATOM 105 CD1 LEU A 6 -3.712 1.647 1.286 1.00 1.12 C ATOM 106 CD2 LEU A 6 -3.070 -0.814 1.011 1.00 72.35 C ATOM 0 H LEU A 6 1.084 1.775 0.878 1.00 12.03 H new ATOM 0 HA LEU A 6 -0.280 -0.699 1.633 1.00 24.50 H new ATOM 0 HB2 LEU A 6 -0.982 1.980 1.223 1.00 2.14 H new ATOM 0 HB3 LEU A 6 -1.507 1.215 -0.264 1.00 2.14 H new ATOM 0 HG LEU A 6 -2.404 0.501 2.550 1.00 13.21 H new ATOM 0 HD11 LEU A 6 -4.626 1.316 1.779 1.00 1.12 H new ATOM 0 HD12 LEU A 6 -3.388 2.593 1.719 1.00 1.12 H new ATOM 0 HD13 LEU A 6 -3.903 1.781 0.221 1.00 1.12 H new ATOM 0 HD21 LEU A 6 -3.994 -1.083 1.522 1.00 72.35 H new ATOM 0 HD22 LEU A 6 -3.242 -0.797 -0.065 1.00 72.35 H new ATOM 0 HD23 LEU A 6 -2.300 -1.549 1.243 1.00 72.35 H new ATOM 118 N ILE A 7 -0.136 -1.992 -0.493 1.00 42.32 N ATOM 119 CA ILE A 7 0.046 -2.859 -1.663 1.00 32.33 C ATOM 120 C ILE A 7 -1.284 -3.534 -1.997 1.00 0.32 C ATOM 121 O ILE A 7 -1.866 -4.236 -1.156 1.00 74.32 O ATOM 122 CB ILE A 7 1.156 -3.957 -1.417 1.00 33.33 C ATOM 123 CG1 ILE A 7 2.535 -3.303 -1.102 1.00 73.54 C ATOM 124 CG2 ILE A 7 1.273 -4.934 -2.618 1.00 44.21 C ATOM 125 CD1 ILE A 7 3.110 -2.419 -2.206 1.00 5.43 C ATOM 0 H ILE A 7 -0.502 -2.486 0.321 1.00 42.32 H new ATOM 0 HA ILE A 7 0.377 -2.240 -2.497 1.00 32.33 H new ATOM 0 HB ILE A 7 0.847 -4.537 -0.547 1.00 33.33 H new ATOM 0 HG12 ILE A 7 2.435 -2.705 -0.196 1.00 73.54 H new ATOM 0 HG13 ILE A 7 3.252 -4.095 -0.884 1.00 73.54 H new ATOM 0 HG21 ILE A 7 2.046 -5.674 -2.411 1.00 44.21 H new ATOM 0 HG22 ILE A 7 0.319 -5.439 -2.771 1.00 44.21 H new ATOM 0 HG23 ILE A 7 1.536 -4.376 -3.517 1.00 44.21 H new ATOM 0 HD11 ILE A 7 4.070 -2.014 -1.885 1.00 5.43 H new ATOM 0 HD12 ILE A 7 3.250 -3.011 -3.110 1.00 5.43 H new ATOM 0 HD13 ILE A 7 2.421 -1.600 -2.412 1.00 5.43 H new ATOM 137 N ASN A 8 -1.767 -3.286 -3.213 1.00 0.52 N ATOM 138 CA ASN A 8 -2.917 -3.969 -3.789 1.00 22.33 C ATOM 139 C ASN A 8 -2.465 -4.602 -5.087 1.00 24.44 C ATOM 140 O ASN A 8 -2.239 -3.918 -6.091 1.00 51.01 O ATOM 141 CB ASN A 8 -4.081 -2.990 -4.011 1.00 15.32 C ATOM 142 CG ASN A 8 -5.280 -3.582 -4.760 1.00 13.22 C ATOM 143 OD1 ASN A 8 -5.393 -3.445 -5.977 1.00 11.54 O ATOM 144 ND2 ASN A 8 -6.166 -4.269 -4.047 1.00 13.33 N ATOM 0 H ASN A 8 -1.359 -2.589 -3.836 1.00 0.52 H new ATOM 0 HA ASN A 8 -3.287 -4.738 -3.111 1.00 22.33 H new ATOM 0 HB2 ASN A 8 -4.420 -2.624 -3.042 1.00 15.32 H new ATOM 0 HB3 ASN A 8 -3.712 -2.128 -4.567 1.00 15.32 H new ATOM 0 HD21 ASN A 8 -6.967 -4.700 -4.508 1.00 13.33 H new ATOM 0 HD22 ASN A 8 -6.045 -4.365 -3.039 1.00 13.33 H new ATOM 151 N THR A 9 -2.267 -5.904 -5.021 1.00 20.04 N ATOM 152 CA THR A 9 -1.871 -6.717 -6.142 1.00 15.51 C ATOM 153 C THR A 9 -2.842 -7.891 -6.252 1.00 55.12 C ATOM 154 O THR A 9 -3.099 -8.582 -5.255 1.00 1.01 O ATOM 155 CB THR A 9 -0.410 -7.208 -5.951 1.00 70.14 C ATOM 156 OG1 THR A 9 0.481 -6.095 -5.833 1.00 31.03 O ATOM 157 CG2 THR A 9 0.067 -8.101 -7.086 1.00 35.15 C ATOM 0 H THR A 9 -2.382 -6.436 -4.158 1.00 20.04 H new ATOM 0 HA THR A 9 -1.904 -6.138 -7.065 1.00 15.51 H new ATOM 0 HB THR A 9 -0.405 -7.798 -5.035 1.00 70.14 H new ATOM 0 HG1 THR A 9 1.397 -6.421 -5.711 1.00 31.03 H new ATOM 0 HG21 THR A 9 1.094 -8.413 -6.897 1.00 35.15 H new ATOM 0 HG22 THR A 9 -0.573 -8.981 -7.150 1.00 35.15 H new ATOM 0 HG23 THR A 9 0.022 -7.550 -8.026 1.00 35.15 H new ATOM 165 N ASN A 10 -3.393 -8.097 -7.454 1.00 3.32 N ATOM 166 CA ASN A 10 -4.374 -9.171 -7.708 1.00 52.02 C ATOM 167 C ASN A 10 -3.681 -10.545 -7.689 1.00 0.54 C ATOM 168 O ASN A 10 -4.289 -11.554 -7.309 1.00 4.12 O ATOM 169 CB ASN A 10 -5.100 -8.923 -9.054 1.00 61.05 C ATOM 170 CG ASN A 10 -6.244 -9.904 -9.356 1.00 11.41 C ATOM 171 OD1 ASN A 10 -6.928 -10.390 -8.452 1.00 14.32 O ATOM 172 ND2 ASN A 10 -6.473 -10.189 -10.631 1.00 15.31 N ATOM 0 H ASN A 10 -3.177 -7.532 -8.275 1.00 3.32 H new ATOM 0 HA ASN A 10 -5.122 -9.165 -6.915 1.00 52.02 H new ATOM 0 HB2 ASN A 10 -5.499 -7.909 -9.054 1.00 61.05 H new ATOM 0 HB3 ASN A 10 -4.369 -8.978 -9.861 1.00 61.05 H new ATOM 0 HD21 ASN A 10 -7.230 -10.824 -10.884 1.00 15.31 H new ATOM 0 HD22 ASN A 10 -5.892 -9.773 -11.359 1.00 15.31 H new ATOM 179 N ASN A 11 -2.385 -10.557 -8.054 1.00 70.24 N ATOM 180 CA ASN A 11 -1.568 -11.781 -8.066 1.00 0.14 C ATOM 181 C ASN A 11 -0.756 -11.823 -6.765 1.00 2.33 C ATOM 182 O ASN A 11 0.309 -11.208 -6.665 1.00 52.43 O ATOM 183 CB ASN A 11 -0.655 -11.882 -9.335 1.00 24.41 C ATOM 184 CG ASN A 11 0.023 -10.574 -9.770 1.00 45.41 C ATOM 185 OD1 ASN A 11 -0.580 -9.502 -9.767 1.00 40.25 O ATOM 186 ND2 ASN A 11 1.281 -10.638 -10.147 1.00 53.12 N ATOM 0 H ASN A 11 -1.879 -9.722 -8.347 1.00 70.24 H new ATOM 0 HA ASN A 11 -2.223 -12.651 -8.120 1.00 0.14 H new ATOM 0 HB2 ASN A 11 0.119 -12.626 -9.146 1.00 24.41 H new ATOM 0 HB3 ASN A 11 -1.257 -12.252 -10.165 1.00 24.41 H new ATOM 0 HD21 ASN A 11 1.769 -9.792 -10.442 1.00 53.12 H new ATOM 0 HD22 ASN A 11 1.769 -11.534 -10.145 1.00 53.12 H new ATOM 193 N ASP A 12 -1.288 -12.556 -5.768 1.00 65.43 N ATOM 194 CA ASP A 12 -0.783 -12.562 -4.376 1.00 3.33 C ATOM 195 C ASP A 12 0.680 -13.046 -4.266 1.00 25.43 C ATOM 196 O ASP A 12 1.394 -12.659 -3.331 1.00 72.32 O ATOM 197 CB ASP A 12 -1.721 -13.423 -3.497 1.00 64.22 C ATOM 198 CG ASP A 12 -1.375 -13.359 -1.996 1.00 74.34 C ATOM 199 OD1 ASP A 12 -1.830 -12.423 -1.305 1.00 12.23 O ATOM 200 OD2 ASP A 12 -0.654 -14.243 -1.489 1.00 1.12 O ATOM 0 H ASP A 12 -2.091 -13.170 -5.906 1.00 65.43 H new ATOM 0 HA ASP A 12 -0.783 -11.532 -4.018 1.00 3.33 H new ATOM 0 HB2 ASP A 12 -2.749 -13.091 -3.641 1.00 64.22 H new ATOM 0 HB3 ASP A 12 -1.671 -14.459 -3.831 1.00 64.22 H new ATOM 205 N GLU A 13 1.118 -13.875 -5.226 1.00 42.41 N ATOM 206 CA GLU A 13 2.519 -14.341 -5.316 1.00 51.44 C ATOM 207 C GLU A 13 3.511 -13.151 -5.409 1.00 42.30 C ATOM 208 O GLU A 13 4.579 -13.174 -4.785 1.00 23.21 O ATOM 209 CB GLU A 13 2.687 -15.297 -6.524 1.00 53.24 C ATOM 210 CG GLU A 13 2.183 -14.723 -7.863 1.00 31.51 C ATOM 211 CD GLU A 13 2.449 -15.653 -9.053 1.00 23.44 C ATOM 212 OE1 GLU A 13 1.673 -16.612 -9.252 1.00 12.03 O ATOM 213 OE2 GLU A 13 3.433 -15.426 -9.797 1.00 61.05 O ATOM 0 H GLU A 13 0.516 -14.243 -5.962 1.00 42.41 H new ATOM 0 HA GLU A 13 2.753 -14.887 -4.402 1.00 51.44 H new ATOM 0 HB2 GLU A 13 3.742 -15.553 -6.626 1.00 53.24 H new ATOM 0 HB3 GLU A 13 2.153 -16.224 -6.316 1.00 53.24 H new ATOM 0 HG2 GLU A 13 1.112 -14.533 -7.790 1.00 31.51 H new ATOM 0 HG3 GLU A 13 2.666 -13.763 -8.045 1.00 31.51 H new ATOM 220 N LEU A 14 3.122 -12.105 -6.164 1.00 63.40 N ATOM 221 CA LEU A 14 3.912 -10.874 -6.323 1.00 63.23 C ATOM 222 C LEU A 14 3.899 -10.038 -5.019 1.00 13.52 C ATOM 223 O LEU A 14 4.913 -9.403 -4.682 1.00 53.14 O ATOM 224 CB LEU A 14 3.377 -10.073 -7.535 1.00 34.11 C ATOM 225 CG LEU A 14 4.036 -8.684 -7.846 1.00 62.31 C ATOM 226 CD1 LEU A 14 5.576 -8.769 -7.970 1.00 53.34 C ATOM 227 CD2 LEU A 14 3.414 -8.050 -9.111 1.00 12.34 C ATOM 0 H LEU A 14 2.244 -12.093 -6.683 1.00 63.40 H new ATOM 0 HA LEU A 14 4.953 -11.132 -6.518 1.00 63.23 H new ATOM 0 HB2 LEU A 14 3.481 -10.699 -8.422 1.00 34.11 H new ATOM 0 HB3 LEU A 14 2.310 -9.910 -7.384 1.00 34.11 H new ATOM 0 HG LEU A 14 3.826 -8.038 -6.993 1.00 62.31 H new ATOM 0 HD11 LEU A 14 5.979 -7.779 -8.186 1.00 53.34 H new ATOM 0 HD12 LEU A 14 5.997 -9.136 -7.034 1.00 53.34 H new ATOM 0 HD13 LEU A 14 5.839 -9.452 -8.778 1.00 53.34 H new ATOM 0 HD21 LEU A 14 3.887 -7.088 -9.306 1.00 12.34 H new ATOM 0 HD22 LEU A 14 3.570 -8.711 -9.964 1.00 12.34 H new ATOM 0 HD23 LEU A 14 2.345 -7.904 -8.957 1.00 12.34 H new ATOM 239 N ILE A 15 2.763 -10.081 -4.263 1.00 51.21 N ATOM 240 CA ILE A 15 2.673 -9.427 -2.935 1.00 63.35 C ATOM 241 C ILE A 15 3.737 -10.015 -1.997 1.00 22.52 C ATOM 242 O ILE A 15 4.453 -9.273 -1.332 1.00 21.04 O ATOM 243 CB ILE A 15 1.278 -9.592 -2.218 1.00 4.40 C ATOM 244 CG1 ILE A 15 0.110 -9.080 -3.096 1.00 61.32 C ATOM 245 CG2 ILE A 15 1.285 -8.857 -0.856 1.00 62.21 C ATOM 246 CD1 ILE A 15 -1.271 -9.174 -2.460 1.00 42.40 C ATOM 0 H ILE A 15 1.909 -10.558 -4.552 1.00 51.21 H new ATOM 0 HA ILE A 15 2.823 -8.365 -3.129 1.00 63.35 H new ATOM 0 HB ILE A 15 1.120 -10.658 -2.052 1.00 4.40 H new ATOM 0 HG12 ILE A 15 0.302 -8.039 -3.357 1.00 61.32 H new ATOM 0 HG13 ILE A 15 0.102 -9.646 -4.028 1.00 61.32 H new ATOM 0 HG21 ILE A 15 0.316 -8.979 -0.372 1.00 62.21 H new ATOM 0 HG22 ILE A 15 2.064 -9.277 -0.220 1.00 62.21 H new ATOM 0 HG23 ILE A 15 1.480 -7.797 -1.016 1.00 62.21 H new ATOM 0 HD11 ILE A 15 -2.018 -8.791 -3.155 1.00 42.40 H new ATOM 0 HD12 ILE A 15 -1.493 -10.215 -2.225 1.00 42.40 H new ATOM 0 HD13 ILE A 15 -1.291 -8.584 -1.544 1.00 42.40 H new ATOM 258 N LYS A 16 3.831 -11.367 -1.987 1.00 32.30 N ATOM 259 CA LYS A 16 4.760 -12.105 -1.112 1.00 45.14 C ATOM 260 C LYS A 16 6.214 -11.642 -1.331 1.00 31.01 C ATOM 261 O LYS A 16 6.967 -11.489 -0.366 1.00 13.14 O ATOM 262 CB LYS A 16 4.650 -13.629 -1.347 1.00 22.34 C ATOM 263 CG LYS A 16 3.249 -14.224 -1.108 1.00 24.14 C ATOM 264 CD LYS A 16 3.229 -15.765 -1.266 1.00 62.11 C ATOM 265 CE LYS A 16 4.086 -16.491 -0.204 1.00 41.11 C ATOM 266 NZ LYS A 16 4.119 -17.965 -0.415 1.00 24.31 N ATOM 0 H LYS A 16 3.265 -11.970 -2.585 1.00 32.30 H new ATOM 0 HA LYS A 16 4.479 -11.890 -0.081 1.00 45.14 H new ATOM 0 HB2 LYS A 16 4.951 -13.846 -2.372 1.00 22.34 H new ATOM 0 HB3 LYS A 16 5.360 -14.135 -0.692 1.00 22.34 H new ATOM 0 HG2 LYS A 16 2.911 -13.959 -0.106 1.00 24.14 H new ATOM 0 HG3 LYS A 16 2.544 -13.780 -1.810 1.00 24.14 H new ATOM 0 HD2 LYS A 16 2.200 -16.119 -1.199 1.00 62.11 H new ATOM 0 HD3 LYS A 16 3.592 -16.028 -2.260 1.00 62.11 H new ATOM 0 HE2 LYS A 16 5.103 -16.100 -0.231 1.00 41.11 H new ATOM 0 HE3 LYS A 16 3.689 -16.277 0.788 1.00 41.11 H new ATOM 0 HZ1 LYS A 16 4.705 -18.408 0.321 1.00 24.31 H new ATOM 0 HZ2 LYS A 16 3.152 -18.345 -0.363 1.00 24.31 H new ATOM 0 HZ3 LYS A 16 4.523 -18.173 -1.351 1.00 24.31 H new ATOM 280 N LYS A 17 6.567 -11.384 -2.607 1.00 45.01 N ATOM 281 CA LYS A 17 7.903 -10.897 -3.000 1.00 54.31 C ATOM 282 C LYS A 17 8.164 -9.488 -2.438 1.00 21.42 C ATOM 283 O LYS A 17 9.240 -9.214 -1.901 1.00 42.34 O ATOM 284 CB LYS A 17 8.040 -10.894 -4.544 1.00 63.22 C ATOM 285 CG LYS A 17 7.813 -12.274 -5.195 1.00 51.23 C ATOM 286 CD LYS A 17 7.966 -12.247 -6.733 1.00 30.34 C ATOM 287 CE LYS A 17 9.377 -11.842 -7.192 1.00 3.22 C ATOM 288 NZ LYS A 17 9.539 -11.940 -8.665 1.00 22.53 N ATOM 0 H LYS A 17 5.931 -11.508 -3.395 1.00 45.01 H new ATOM 0 HA LYS A 17 8.648 -11.573 -2.580 1.00 54.31 H new ATOM 0 HB2 LYS A 17 7.325 -10.185 -4.961 1.00 63.22 H new ATOM 0 HB3 LYS A 17 9.035 -10.537 -4.810 1.00 63.22 H new ATOM 0 HG2 LYS A 17 8.522 -12.988 -4.777 1.00 51.23 H new ATOM 0 HG3 LYS A 17 6.815 -12.630 -4.941 1.00 51.23 H new ATOM 0 HD2 LYS A 17 7.729 -13.233 -7.133 1.00 30.34 H new ATOM 0 HD3 LYS A 17 7.240 -11.550 -7.152 1.00 30.34 H new ATOM 0 HE2 LYS A 17 9.581 -10.820 -6.873 1.00 3.22 H new ATOM 0 HE3 LYS A 17 10.113 -12.481 -6.704 1.00 3.22 H new ATOM 0 HZ1 LYS A 17 10.508 -12.246 -8.888 1.00 22.53 H new ATOM 0 HZ2 LYS A 17 8.861 -12.632 -9.043 1.00 22.53 H new ATOM 0 HZ3 LYS A 17 9.362 -11.010 -9.096 1.00 22.53 H new ATOM 302 N ILE A 18 7.143 -8.623 -2.556 1.00 70.44 N ATOM 303 CA ILE A 18 7.156 -7.247 -2.020 1.00 33.53 C ATOM 304 C ILE A 18 7.308 -7.246 -0.473 1.00 4.44 C ATOM 305 O ILE A 18 8.015 -6.396 0.095 1.00 22.14 O ATOM 306 CB ILE A 18 5.836 -6.508 -2.456 1.00 41.54 C ATOM 307 CG1 ILE A 18 5.796 -6.345 -4.014 1.00 33.30 C ATOM 308 CG2 ILE A 18 5.670 -5.153 -1.734 1.00 72.41 C ATOM 309 CD1 ILE A 18 4.496 -5.786 -4.573 1.00 53.24 C ATOM 0 H ILE A 18 6.273 -8.861 -3.032 1.00 70.44 H new ATOM 0 HA ILE A 18 8.017 -6.717 -2.428 1.00 33.53 H new ATOM 0 HB ILE A 18 4.988 -7.124 -2.156 1.00 41.54 H new ATOM 0 HG12 ILE A 18 6.614 -5.691 -4.316 1.00 33.30 H new ATOM 0 HG13 ILE A 18 5.981 -7.318 -4.470 1.00 33.30 H new ATOM 0 HG21 ILE A 18 4.747 -4.676 -2.063 1.00 72.41 H new ATOM 0 HG22 ILE A 18 5.630 -5.317 -0.657 1.00 72.41 H new ATOM 0 HG23 ILE A 18 6.516 -4.508 -1.971 1.00 72.41 H new ATOM 0 HD11 ILE A 18 4.569 -5.712 -5.658 1.00 53.24 H new ATOM 0 HD12 ILE A 18 3.672 -6.449 -4.309 1.00 53.24 H new ATOM 0 HD13 ILE A 18 4.315 -4.797 -4.153 1.00 53.24 H new ATOM 321 N LYS A 19 6.659 -8.233 0.184 1.00 32.34 N ATOM 322 CA LYS A 19 6.717 -8.414 1.649 1.00 14.31 C ATOM 323 C LYS A 19 8.158 -8.724 2.090 1.00 72.14 C ATOM 324 O LYS A 19 8.644 -8.174 3.084 1.00 31.22 O ATOM 325 CB LYS A 19 5.741 -9.542 2.093 1.00 62.31 C ATOM 326 CG LYS A 19 4.254 -9.206 1.830 1.00 62.13 C ATOM 327 CD LYS A 19 3.294 -10.410 2.011 1.00 61.10 C ATOM 328 CE LYS A 19 3.295 -11.001 3.426 1.00 54.23 C ATOM 329 NZ LYS A 19 2.333 -12.128 3.574 1.00 71.34 N ATOM 0 H LYS A 19 6.080 -8.927 -0.289 1.00 32.34 H new ATOM 0 HA LYS A 19 6.406 -7.488 2.133 1.00 14.31 H new ATOM 0 HB2 LYS A 19 5.997 -10.462 1.567 1.00 62.31 H new ATOM 0 HB3 LYS A 19 5.880 -9.735 3.157 1.00 62.31 H new ATOM 0 HG2 LYS A 19 3.948 -8.406 2.504 1.00 62.13 H new ATOM 0 HG3 LYS A 19 4.153 -8.823 0.814 1.00 62.13 H new ATOM 0 HD2 LYS A 19 2.281 -10.095 1.761 1.00 61.10 H new ATOM 0 HD3 LYS A 19 3.569 -11.191 1.302 1.00 61.10 H new ATOM 0 HE2 LYS A 19 4.298 -11.350 3.670 1.00 54.23 H new ATOM 0 HE3 LYS A 19 3.046 -10.219 4.143 1.00 54.23 H new ATOM 0 HZ1 LYS A 19 2.544 -12.652 4.447 1.00 71.34 H new ATOM 0 HZ2 LYS A 19 1.364 -11.753 3.621 1.00 71.34 H new ATOM 0 HZ3 LYS A 19 2.418 -12.766 2.757 1.00 71.34 H new ATOM 343 N LYS A 20 8.852 -9.562 1.285 1.00 73.14 N ATOM 344 CA LYS A 20 10.260 -9.916 1.528 1.00 4.23 C ATOM 345 C LYS A 20 11.153 -8.678 1.346 1.00 50.41 C ATOM 346 O LYS A 20 11.994 -8.401 2.203 1.00 54.52 O ATOM 347 CB LYS A 20 10.730 -11.048 0.573 1.00 34.12 C ATOM 348 CG LYS A 20 9.874 -12.329 0.622 1.00 14.43 C ATOM 349 CD LYS A 20 9.770 -12.960 2.034 1.00 24.24 C ATOM 350 CE LYS A 20 8.822 -14.172 2.059 1.00 72.45 C ATOM 351 NZ LYS A 20 9.243 -15.235 1.111 1.00 63.30 N ATOM 0 H LYS A 20 8.452 -10.005 0.458 1.00 73.14 H new ATOM 0 HA LYS A 20 10.343 -10.278 2.553 1.00 4.23 H new ATOM 0 HB2 LYS A 20 10.730 -10.666 -0.448 1.00 34.12 H new ATOM 0 HB3 LYS A 20 11.760 -11.306 0.817 1.00 34.12 H new ATOM 0 HG2 LYS A 20 8.871 -12.098 0.263 1.00 14.43 H new ATOM 0 HG3 LYS A 20 10.297 -13.063 -0.063 1.00 14.43 H new ATOM 0 HD2 LYS A 20 10.761 -13.269 2.366 1.00 24.24 H new ATOM 0 HD3 LYS A 20 9.416 -12.209 2.741 1.00 24.24 H new ATOM 0 HE2 LYS A 20 8.786 -14.582 3.068 1.00 72.45 H new ATOM 0 HE3 LYS A 20 7.812 -13.846 1.811 1.00 72.45 H new ATOM 0 HZ1 LYS A 20 8.636 -16.071 1.235 1.00 63.30 H new ATOM 0 HZ2 LYS A 20 9.155 -14.885 0.136 1.00 63.30 H new ATOM 0 HZ3 LYS A 20 10.232 -15.495 1.298 1.00 63.30 H new ATOM 365 N GLU A 21 10.917 -7.933 0.233 1.00 21.54 N ATOM 366 CA GLU A 21 11.672 -6.711 -0.131 1.00 23.14 C ATOM 367 C GLU A 21 11.773 -5.732 1.046 1.00 22.41 C ATOM 368 O GLU A 21 12.875 -5.314 1.438 1.00 1.22 O ATOM 369 CB GLU A 21 11.009 -5.984 -1.342 1.00 32.03 C ATOM 370 CG GLU A 21 11.172 -6.686 -2.704 1.00 21.21 C ATOM 371 CD GLU A 21 12.632 -6.790 -3.195 1.00 20.15 C ATOM 372 OE1 GLU A 21 13.456 -5.892 -2.895 1.00 13.21 O ATOM 373 OE2 GLU A 21 12.966 -7.766 -3.899 1.00 40.15 O ATOM 0 H GLU A 21 10.189 -8.169 -0.441 1.00 21.54 H new ATOM 0 HA GLU A 21 12.676 -7.034 -0.405 1.00 23.14 H new ATOM 0 HB2 GLU A 21 9.945 -5.869 -1.137 1.00 32.03 H new ATOM 0 HB3 GLU A 21 11.429 -4.981 -1.417 1.00 32.03 H new ATOM 0 HG2 GLU A 21 10.752 -7.689 -2.635 1.00 21.21 H new ATOM 0 HG3 GLU A 21 10.588 -6.147 -3.450 1.00 21.21 H new ATOM 380 N VAL A 22 10.609 -5.404 1.612 1.00 50.00 N ATOM 381 CA VAL A 22 10.509 -4.431 2.697 1.00 4.04 C ATOM 382 C VAL A 22 11.088 -4.991 4.020 1.00 42.54 C ATOM 383 O VAL A 22 11.701 -4.244 4.782 1.00 64.55 O ATOM 384 CB VAL A 22 9.035 -3.930 2.868 1.00 34.13 C ATOM 385 CG1 VAL A 22 8.534 -3.261 1.570 1.00 44.44 C ATOM 386 CG2 VAL A 22 8.088 -5.059 3.320 1.00 14.43 C ATOM 0 H VAL A 22 9.714 -5.805 1.331 1.00 50.00 H new ATOM 0 HA VAL A 22 11.118 -3.568 2.428 1.00 4.04 H new ATOM 0 HB VAL A 22 9.032 -3.182 3.661 1.00 34.13 H new ATOM 0 HG11 VAL A 22 7.508 -2.920 1.709 1.00 44.44 H new ATOM 0 HG12 VAL A 22 9.171 -2.409 1.331 1.00 44.44 H new ATOM 0 HG13 VAL A 22 8.569 -3.981 0.753 1.00 44.44 H new ATOM 0 HG21 VAL A 22 7.077 -4.665 3.426 1.00 14.43 H new ATOM 0 HG22 VAL A 22 8.091 -5.856 2.577 1.00 14.43 H new ATOM 0 HG23 VAL A 22 8.425 -5.455 4.278 1.00 14.43 H new ATOM 396 N GLU A 23 10.919 -6.315 4.270 1.00 4.21 N ATOM 397 CA GLU A 23 11.481 -6.993 5.468 1.00 22.00 C ATOM 398 C GLU A 23 13.019 -7.134 5.403 1.00 12.02 C ATOM 399 O GLU A 23 13.653 -7.337 6.444 1.00 5.42 O ATOM 400 CB GLU A 23 10.815 -8.375 5.698 1.00 14.32 C ATOM 401 CG GLU A 23 9.356 -8.296 6.205 1.00 4.23 C ATOM 402 CD GLU A 23 8.694 -9.675 6.348 1.00 71.14 C ATOM 403 OE1 GLU A 23 8.635 -10.411 5.336 1.00 65.14 O ATOM 404 OE2 GLU A 23 8.221 -10.034 7.457 1.00 75.11 O ATOM 0 H GLU A 23 10.395 -6.937 3.654 1.00 4.21 H new ATOM 0 HA GLU A 23 11.253 -6.352 6.320 1.00 22.00 H new ATOM 0 HB2 GLU A 23 10.834 -8.935 4.763 1.00 14.32 H new ATOM 0 HB3 GLU A 23 11.409 -8.937 6.419 1.00 14.32 H new ATOM 0 HG2 GLU A 23 9.340 -7.790 7.170 1.00 4.23 H new ATOM 0 HG3 GLU A 23 8.770 -7.688 5.516 1.00 4.23 H new ATOM 411 N ASN A 24 13.618 -7.032 4.192 1.00 61.13 N ATOM 412 CA ASN A 24 15.092 -6.907 4.047 1.00 25.42 C ATOM 413 C ASN A 24 15.587 -5.579 4.655 1.00 44.31 C ATOM 414 O ASN A 24 16.746 -5.463 5.059 1.00 34.34 O ATOM 415 CB ASN A 24 15.558 -7.013 2.567 1.00 53.44 C ATOM 416 CG ASN A 24 15.418 -8.419 1.966 1.00 20.40 C ATOM 417 OD1 ASN A 24 14.423 -8.629 1.138 1.00 70.24 O flip ATOM 418 ND2 ASN A 24 16.239 -9.301 2.206 1.00 53.05 N flip ATOM 0 H ASN A 24 13.110 -7.034 3.308 1.00 61.13 H new ATOM 0 HA ASN A 24 15.530 -7.744 4.590 1.00 25.42 H new ATOM 0 HB2 ASN A 24 14.980 -6.312 1.964 1.00 53.44 H new ATOM 0 HB3 ASN A 24 16.601 -6.704 2.503 1.00 53.44 H new ATOM 0 HD21 ASN A 24 17.007 -9.121 2.853 1.00 53.05 H new ATOM 0 HD22 ASN A 24 16.153 -10.214 1.759 1.00 53.05 H new ATOM 425 N GLN A 25 14.694 -4.572 4.695 1.00 65.43 N ATOM 426 CA GLN A 25 14.958 -3.271 5.346 1.00 71.43 C ATOM 427 C GLN A 25 14.094 -3.103 6.615 1.00 20.20 C ATOM 428 O GLN A 25 13.862 -1.985 7.078 1.00 31.14 O ATOM 429 CB GLN A 25 14.725 -2.119 4.336 1.00 64.42 C ATOM 430 CG GLN A 25 15.678 -2.125 3.116 1.00 21.15 C ATOM 431 CD GLN A 25 17.152 -1.910 3.481 1.00 45.51 C ATOM 432 OE1 GLN A 25 17.634 -0.777 3.543 1.00 22.42 O ATOM 433 NE2 GLN A 25 17.879 -2.988 3.715 1.00 12.20 N ATOM 0 H GLN A 25 13.766 -4.636 4.276 1.00 65.43 H new ATOM 0 HA GLN A 25 16.000 -3.238 5.663 1.00 71.43 H new ATOM 0 HB2 GLN A 25 13.697 -2.171 3.977 1.00 64.42 H new ATOM 0 HB3 GLN A 25 14.832 -1.169 4.859 1.00 64.42 H new ATOM 0 HG2 GLN A 25 15.578 -3.076 2.593 1.00 21.15 H new ATOM 0 HG3 GLN A 25 15.368 -1.345 2.421 1.00 21.15 H new ATOM 0 HE21 GLN A 25 17.453 -3.913 3.656 1.00 12.20 H new ATOM 0 HE22 GLN A 25 18.866 -2.895 3.954 1.00 12.20 H new ATOM 442 N GLY A 26 13.617 -4.238 7.157 1.00 10.04 N ATOM 443 CA GLY A 26 13.008 -4.296 8.485 1.00 45.11 C ATOM 444 C GLY A 26 11.653 -3.609 8.625 1.00 51.10 C ATOM 445 O GLY A 26 11.343 -3.090 9.703 1.00 21.50 O ATOM 0 H GLY A 26 13.646 -5.139 6.680 1.00 10.04 H new ATOM 0 HA2 GLY A 26 12.894 -5.343 8.766 1.00 45.11 H new ATOM 0 HA3 GLY A 26 13.697 -3.847 9.200 1.00 45.11 H new ATOM 449 N TYR A 27 10.849 -3.588 7.550 1.00 73.40 N ATOM 450 CA TYR A 27 9.458 -3.089 7.615 1.00 13.41 C ATOM 451 C TYR A 27 8.553 -4.154 8.239 1.00 2.22 C ATOM 452 O TYR A 27 8.692 -5.352 7.947 1.00 24.44 O ATOM 453 CB TYR A 27 8.903 -2.705 6.224 1.00 55.23 C ATOM 454 CG TYR A 27 9.486 -1.430 5.595 1.00 30.03 C ATOM 455 CD1 TYR A 27 10.859 -1.280 5.377 1.00 5.54 C ATOM 456 CD2 TYR A 27 8.652 -0.381 5.192 1.00 55.15 C ATOM 457 CE1 TYR A 27 11.377 -0.140 4.791 1.00 54.45 C ATOM 458 CE2 TYR A 27 9.168 0.763 4.611 1.00 3.51 C ATOM 459 CZ TYR A 27 10.532 0.879 4.411 1.00 14.42 C ATOM 460 OH TYR A 27 11.053 2.015 3.830 1.00 51.35 O ATOM 0 H TYR A 27 11.134 -3.909 6.625 1.00 73.40 H new ATOM 0 HA TYR A 27 9.469 -2.189 8.230 1.00 13.41 H new ATOM 0 HB2 TYR A 27 9.080 -3.537 5.542 1.00 55.23 H new ATOM 0 HB3 TYR A 27 7.823 -2.585 6.306 1.00 55.23 H new ATOM 0 HD1 TYR A 27 11.530 -2.073 5.673 1.00 5.54 H new ATOM 0 HD2 TYR A 27 7.585 -0.466 5.337 1.00 55.15 H new ATOM 0 HE1 TYR A 27 12.441 -0.049 4.632 1.00 54.45 H new ATOM 0 HE2 TYR A 27 8.507 1.564 4.314 1.00 3.51 H new ATOM 0 HH TYR A 27 11.869 1.786 3.338 1.00 51.35 H new ATOM 470 N GLN A 28 7.627 -3.698 9.084 1.00 64.01 N ATOM 471 CA GLN A 28 6.616 -4.542 9.715 1.00 42.53 C ATOM 472 C GLN A 28 5.462 -4.768 8.714 1.00 5.20 C ATOM 473 O GLN A 28 4.829 -3.811 8.289 1.00 14.55 O ATOM 474 CB GLN A 28 6.104 -3.843 11.000 1.00 40.25 C ATOM 475 CG GLN A 28 5.035 -4.622 11.785 1.00 51.14 C ATOM 476 CD GLN A 28 5.521 -5.974 12.318 1.00 25.31 C ATOM 477 OE1 GLN A 28 5.396 -7.009 11.657 1.00 14.10 O ATOM 478 NE2 GLN A 28 6.092 -5.966 13.511 1.00 33.12 N ATOM 0 H GLN A 28 7.559 -2.716 9.352 1.00 64.01 H new ATOM 0 HA GLN A 28 7.038 -5.509 9.990 1.00 42.53 H new ATOM 0 HB2 GLN A 28 6.953 -3.659 11.658 1.00 40.25 H new ATOM 0 HB3 GLN A 28 5.695 -2.870 10.727 1.00 40.25 H new ATOM 0 HG2 GLN A 28 4.697 -4.012 12.623 1.00 51.14 H new ATOM 0 HG3 GLN A 28 4.171 -4.785 11.140 1.00 51.14 H new ATOM 0 HE21 GLN A 28 6.178 -5.092 14.029 1.00 33.12 H new ATOM 0 HE22 GLN A 28 6.446 -6.834 13.913 1.00 33.12 H new ATOM 487 N VAL A 29 5.198 -6.022 8.321 1.00 34.54 N ATOM 488 CA VAL A 29 4.163 -6.337 7.306 1.00 62.31 C ATOM 489 C VAL A 29 2.859 -6.758 8.001 1.00 43.33 C ATOM 490 O VAL A 29 2.874 -7.587 8.922 1.00 22.53 O ATOM 491 CB VAL A 29 4.625 -7.454 6.299 1.00 74.54 C ATOM 492 CG1 VAL A 29 3.538 -7.730 5.235 1.00 20.34 C ATOM 493 CG2 VAL A 29 5.965 -7.067 5.634 1.00 70.22 C ATOM 0 H VAL A 29 5.684 -6.841 8.687 1.00 34.54 H new ATOM 0 HA VAL A 29 3.996 -5.431 6.723 1.00 62.31 H new ATOM 0 HB VAL A 29 4.778 -8.375 6.862 1.00 74.54 H new ATOM 0 HG11 VAL A 29 3.885 -8.506 4.553 1.00 20.34 H new ATOM 0 HG12 VAL A 29 2.623 -8.062 5.727 1.00 20.34 H new ATOM 0 HG13 VAL A 29 3.338 -6.817 4.674 1.00 20.34 H new ATOM 0 HG21 VAL A 29 6.268 -7.852 4.941 1.00 70.22 H new ATOM 0 HG22 VAL A 29 5.844 -6.130 5.090 1.00 70.22 H new ATOM 0 HG23 VAL A 29 6.730 -6.945 6.401 1.00 70.22 H new ATOM 503 N ARG A 30 1.740 -6.185 7.543 1.00 70.31 N ATOM 504 CA ARG A 30 0.412 -6.390 8.119 1.00 60.12 C ATOM 505 C ARG A 30 -0.582 -6.646 6.977 1.00 45.13 C ATOM 506 O ARG A 30 -0.832 -5.762 6.158 1.00 60.41 O ATOM 507 CB ARG A 30 0.039 -5.144 8.947 1.00 31.24 C ATOM 508 CG ARG A 30 -1.308 -5.226 9.690 1.00 64.20 C ATOM 509 CD ARG A 30 -1.376 -4.214 10.841 1.00 74.22 C ATOM 510 NE ARG A 30 -0.333 -4.476 11.864 1.00 32.32 N ATOM 511 CZ ARG A 30 -0.537 -5.030 13.076 1.00 1.13 C ATOM 512 NH1 ARG A 30 -1.752 -5.390 13.467 1.00 4.32 N ATOM 513 NH2 ARG A 30 0.496 -5.269 13.869 1.00 3.43 N ATOM 0 H ARG A 30 1.736 -5.552 6.743 1.00 70.31 H new ATOM 0 HA ARG A 30 0.391 -7.254 8.783 1.00 60.12 H new ATOM 0 HB2 ARG A 30 0.828 -4.964 9.678 1.00 31.24 H new ATOM 0 HB3 ARG A 30 0.017 -4.280 8.283 1.00 31.24 H new ATOM 0 HG2 ARG A 30 -2.123 -5.039 8.991 1.00 64.20 H new ATOM 0 HG3 ARG A 30 -1.449 -6.234 10.081 1.00 64.20 H new ATOM 0 HD2 ARG A 30 -1.254 -3.205 10.446 1.00 74.22 H new ATOM 0 HD3 ARG A 30 -2.361 -4.257 11.306 1.00 74.22 H new ATOM 0 HE ARG A 30 0.624 -4.213 11.629 1.00 32.32 H new ATOM 0 HH11 ARG A 30 -2.550 -5.249 12.847 1.00 4.32 H new ATOM 0 HH12 ARG A 30 -1.889 -5.808 14.387 1.00 4.32 H new ATOM 0 HH21 ARG A 30 1.440 -5.034 13.562 1.00 3.43 H new ATOM 0 HH22 ARG A 30 0.348 -5.688 14.787 1.00 3.43 H new ATOM 527 N ASP A 31 -1.131 -7.866 6.938 1.00 71.23 N ATOM 528 CA ASP A 31 -1.948 -8.369 5.811 1.00 54.12 C ATOM 529 C ASP A 31 -3.443 -8.205 6.113 1.00 32.12 C ATOM 530 O ASP A 31 -3.892 -8.413 7.243 1.00 62.00 O ATOM 531 CB ASP A 31 -1.615 -9.867 5.513 1.00 75.03 C ATOM 532 CG ASP A 31 -0.238 -10.081 4.841 1.00 1.24 C ATOM 533 OD1 ASP A 31 0.798 -9.810 5.485 1.00 74.32 O ATOM 534 OD2 ASP A 31 -0.185 -10.556 3.675 1.00 1.13 O ATOM 0 H ASP A 31 -1.023 -8.544 7.692 1.00 71.23 H new ATOM 0 HA ASP A 31 -1.707 -7.780 4.926 1.00 54.12 H new ATOM 0 HB2 ASP A 31 -1.644 -10.428 6.447 1.00 75.03 H new ATOM 0 HB3 ASP A 31 -2.391 -10.280 4.869 1.00 75.03 H new ATOM 539 N VAL A 32 -4.197 -7.808 5.078 1.00 10.44 N ATOM 540 CA VAL A 32 -5.659 -7.688 5.113 1.00 34.32 C ATOM 541 C VAL A 32 -6.226 -8.467 3.913 1.00 11.24 C ATOM 542 O VAL A 32 -5.970 -8.113 2.755 1.00 73.20 O ATOM 543 CB VAL A 32 -6.128 -6.179 5.054 1.00 31.14 C ATOM 544 CG1 VAL A 32 -7.669 -6.074 5.042 1.00 60.15 C ATOM 545 CG2 VAL A 32 -5.518 -5.348 6.213 1.00 50.32 C ATOM 0 H VAL A 32 -3.797 -7.556 4.174 1.00 10.44 H new ATOM 0 HA VAL A 32 -6.029 -8.097 6.053 1.00 34.32 H new ATOM 0 HB VAL A 32 -5.758 -5.757 4.120 1.00 31.14 H new ATOM 0 HG11 VAL A 32 -7.962 -5.025 5.001 1.00 60.15 H new ATOM 0 HG12 VAL A 32 -8.062 -6.595 4.169 1.00 60.15 H new ATOM 0 HG13 VAL A 32 -8.072 -6.528 5.947 1.00 60.15 H new ATOM 0 HG21 VAL A 32 -5.862 -4.316 6.141 1.00 50.32 H new ATOM 0 HG22 VAL A 32 -5.833 -5.770 7.168 1.00 50.32 H new ATOM 0 HG23 VAL A 32 -4.430 -5.374 6.146 1.00 50.32 H new ATOM 555 N ASN A 33 -6.949 -9.556 4.202 1.00 60.15 N ATOM 556 CA ASN A 33 -7.587 -10.406 3.170 1.00 2.45 C ATOM 557 C ASN A 33 -9.092 -10.103 3.092 1.00 74.41 C ATOM 558 O ASN A 33 -9.732 -10.382 2.078 1.00 5.44 O ATOM 559 CB ASN A 33 -7.372 -11.917 3.490 1.00 44.31 C ATOM 560 CG ASN A 33 -5.899 -12.322 3.610 1.00 54.23 C ATOM 561 OD1 ASN A 33 -5.030 -11.787 2.916 1.00 61.33 O ATOM 562 ND2 ASN A 33 -5.607 -13.260 4.513 1.00 51.01 N ATOM 0 H ASN A 33 -7.113 -9.879 5.156 1.00 60.15 H new ATOM 0 HA ASN A 33 -7.124 -10.182 2.209 1.00 2.45 H new ATOM 0 HB2 ASN A 33 -7.882 -12.157 4.423 1.00 44.31 H new ATOM 0 HB3 ASN A 33 -7.841 -12.514 2.708 1.00 44.31 H new ATOM 0 HD21 ASN A 33 -4.640 -13.556 4.647 1.00 51.01 H new ATOM 0 HD22 ASN A 33 -6.351 -13.681 5.070 1.00 51.01 H new ATOM 569 N ASP A 34 -9.646 -9.516 4.175 1.00 12.54 N ATOM 570 CA ASP A 34 -11.106 -9.333 4.332 1.00 32.31 C ATOM 571 C ASP A 34 -11.441 -8.030 5.088 1.00 61.31 C ATOM 572 O ASP A 34 -10.594 -7.480 5.800 1.00 61.33 O ATOM 573 CB ASP A 34 -11.698 -10.569 5.063 1.00 34.05 C ATOM 574 CG ASP A 34 -13.226 -10.521 5.256 1.00 41.32 C ATOM 575 OD1 ASP A 34 -13.968 -10.488 4.247 1.00 71.14 O ATOM 576 OD2 ASP A 34 -13.696 -10.491 6.411 1.00 43.24 O ATOM 0 H ASP A 34 -9.100 -9.158 4.959 1.00 12.54 H new ATOM 0 HA ASP A 34 -11.556 -9.246 3.343 1.00 32.31 H new ATOM 0 HB2 ASP A 34 -11.443 -11.466 4.499 1.00 34.05 H new ATOM 0 HB3 ASP A 34 -11.223 -10.661 6.040 1.00 34.05 H new ATOM 581 N SER A 35 -12.704 -7.578 4.917 1.00 20.22 N ATOM 582 CA SER A 35 -13.271 -6.361 5.534 1.00 62.24 C ATOM 583 C SER A 35 -13.180 -6.362 7.076 1.00 13.45 C ATOM 584 O SER A 35 -13.019 -5.295 7.694 1.00 54.12 O ATOM 585 CB SER A 35 -14.746 -6.226 5.095 1.00 55.33 C ATOM 586 OG SER A 35 -14.863 -6.232 3.681 1.00 44.30 O ATOM 0 H SER A 35 -13.377 -8.067 4.327 1.00 20.22 H new ATOM 0 HA SER A 35 -12.680 -5.511 5.192 1.00 62.24 H new ATOM 0 HB2 SER A 35 -15.329 -7.046 5.514 1.00 55.33 H new ATOM 0 HB3 SER A 35 -15.164 -5.301 5.493 1.00 55.33 H new ATOM 0 HG SER A 35 -15.807 -6.147 3.430 1.00 44.30 H new ATOM 592 N ASP A 36 -13.295 -7.566 7.678 1.00 22.21 N ATOM 593 CA ASP A 36 -13.145 -7.777 9.132 1.00 14.31 C ATOM 594 C ASP A 36 -11.747 -7.343 9.582 1.00 14.41 C ATOM 595 O ASP A 36 -11.596 -6.532 10.498 1.00 50.03 O ATOM 596 CB ASP A 36 -13.378 -9.271 9.491 1.00 42.22 C ATOM 597 CG ASP A 36 -13.157 -9.579 10.984 1.00 21.23 C ATOM 598 OD1 ASP A 36 -14.074 -9.321 11.792 1.00 45.31 O ATOM 599 OD2 ASP A 36 -12.075 -10.084 11.361 1.00 61.00 O ATOM 0 H ASP A 36 -13.496 -8.424 7.164 1.00 22.21 H new ATOM 0 HA ASP A 36 -13.891 -7.174 9.650 1.00 14.31 H new ATOM 0 HB2 ASP A 36 -14.395 -9.549 9.216 1.00 42.22 H new ATOM 0 HB3 ASP A 36 -12.706 -9.890 8.896 1.00 42.22 H new ATOM 604 N GLU A 37 -10.735 -7.860 8.873 1.00 51.02 N ATOM 605 CA GLU A 37 -9.333 -7.554 9.154 1.00 15.22 C ATOM 606 C GLU A 37 -9.038 -6.072 8.874 1.00 13.12 C ATOM 607 O GLU A 37 -8.261 -5.468 9.596 1.00 1.21 O ATOM 608 CB GLU A 37 -8.408 -8.484 8.339 1.00 34.14 C ATOM 609 CG GLU A 37 -8.592 -9.983 8.666 1.00 73.22 C ATOM 610 CD GLU A 37 -7.710 -10.888 7.806 1.00 52.54 C ATOM 611 OE1 GLU A 37 -8.014 -11.033 6.611 1.00 3.10 O ATOM 612 OE2 GLU A 37 -6.718 -11.460 8.316 1.00 44.33 O ATOM 0 H GLU A 37 -10.868 -8.501 8.091 1.00 51.02 H new ATOM 0 HA GLU A 37 -9.136 -7.733 10.211 1.00 15.22 H new ATOM 0 HB2 GLU A 37 -8.594 -8.327 7.277 1.00 34.14 H new ATOM 0 HB3 GLU A 37 -7.371 -8.205 8.525 1.00 34.14 H new ATOM 0 HG2 GLU A 37 -8.362 -10.152 9.718 1.00 73.22 H new ATOM 0 HG3 GLU A 37 -9.637 -10.257 8.520 1.00 73.22 H new ATOM 619 N LEU A 38 -9.725 -5.487 7.861 1.00 13.45 N ATOM 620 CA LEU A 38 -9.599 -4.054 7.523 1.00 42.44 C ATOM 621 C LEU A 38 -9.889 -3.174 8.752 1.00 75.11 C ATOM 622 O LEU A 38 -9.013 -2.424 9.200 1.00 44.34 O ATOM 623 CB LEU A 38 -10.565 -3.662 6.374 1.00 64.22 C ATOM 624 CG LEU A 38 -10.518 -2.156 5.941 1.00 14.44 C ATOM 625 CD1 LEU A 38 -9.179 -1.810 5.268 1.00 61.52 C ATOM 626 CD2 LEU A 38 -11.724 -1.788 5.054 1.00 75.02 C ATOM 0 H LEU A 38 -10.376 -5.994 7.262 1.00 13.45 H new ATOM 0 HA LEU A 38 -8.573 -3.888 7.195 1.00 42.44 H new ATOM 0 HB2 LEU A 38 -10.338 -4.280 5.505 1.00 64.22 H new ATOM 0 HB3 LEU A 38 -11.583 -3.903 6.680 1.00 64.22 H new ATOM 0 HG LEU A 38 -10.589 -1.548 6.843 1.00 14.44 H new ATOM 0 HD11 LEU A 38 -9.178 -0.759 4.979 1.00 61.52 H new ATOM 0 HD12 LEU A 38 -8.362 -1.996 5.966 1.00 61.52 H new ATOM 0 HD13 LEU A 38 -9.047 -2.430 4.381 1.00 61.52 H new ATOM 0 HD21 LEU A 38 -11.661 -0.737 4.771 1.00 75.02 H new ATOM 0 HD22 LEU A 38 -11.717 -2.406 4.156 1.00 75.02 H new ATOM 0 HD23 LEU A 38 -12.648 -1.960 5.606 1.00 75.02 H new ATOM 638 N LYS A 39 -11.113 -3.319 9.308 1.00 3.41 N ATOM 639 CA LYS A 39 -11.568 -2.498 10.441 1.00 21.43 C ATOM 640 C LYS A 39 -10.714 -2.757 11.705 1.00 12.02 C ATOM 641 O LYS A 39 -10.456 -1.818 12.476 1.00 10.31 O ATOM 642 CB LYS A 39 -13.106 -2.681 10.681 1.00 15.12 C ATOM 643 CG LYS A 39 -13.611 -4.118 11.002 1.00 63.21 C ATOM 644 CD LYS A 39 -13.544 -4.484 12.506 1.00 21.32 C ATOM 645 CE LYS A 39 -14.056 -5.900 12.796 1.00 71.22 C ATOM 646 NZ LYS A 39 -14.000 -6.232 14.244 1.00 45.32 N ATOM 0 H LYS A 39 -11.801 -4.000 8.986 1.00 3.41 H new ATOM 0 HA LYS A 39 -11.418 -1.448 10.192 1.00 21.43 H new ATOM 0 HB2 LYS A 39 -13.399 -2.029 11.503 1.00 15.12 H new ATOM 0 HB3 LYS A 39 -13.631 -2.329 9.793 1.00 15.12 H new ATOM 0 HG2 LYS A 39 -14.641 -4.216 10.660 1.00 63.21 H new ATOM 0 HG3 LYS A 39 -13.018 -4.836 10.436 1.00 63.21 H new ATOM 0 HD2 LYS A 39 -12.514 -4.397 12.851 1.00 21.32 H new ATOM 0 HD3 LYS A 39 -14.133 -3.766 13.077 1.00 21.32 H new ATOM 0 HE2 LYS A 39 -15.083 -5.992 12.443 1.00 71.22 H new ATOM 0 HE3 LYS A 39 -13.461 -6.621 12.236 1.00 71.22 H new ATOM 0 HZ1 LYS A 39 -14.356 -7.198 14.393 1.00 45.32 H new ATOM 0 HZ2 LYS A 39 -13.017 -6.170 14.577 1.00 45.32 H new ATOM 0 HZ3 LYS A 39 -14.589 -5.561 14.777 1.00 45.32 H new ATOM 660 N LYS A 40 -10.240 -4.016 11.880 1.00 75.55 N ATOM 661 CA LYS A 40 -9.324 -4.374 12.983 1.00 53.24 C ATOM 662 C LYS A 40 -7.999 -3.587 12.897 1.00 5.54 C ATOM 663 O LYS A 40 -7.598 -2.931 13.869 1.00 30.24 O ATOM 664 CB LYS A 40 -9.026 -5.888 13.011 1.00 42.44 C ATOM 665 CG LYS A 40 -10.240 -6.788 13.310 1.00 1.23 C ATOM 666 CD LYS A 40 -9.861 -8.220 13.751 1.00 60.14 C ATOM 667 CE LYS A 40 -9.094 -9.055 12.690 1.00 52.32 C ATOM 668 NZ LYS A 40 -7.664 -8.659 12.525 1.00 54.50 N ATOM 0 H LYS A 40 -10.479 -4.797 11.270 1.00 75.55 H new ATOM 0 HA LYS A 40 -9.833 -4.104 13.908 1.00 53.24 H new ATOM 0 HB2 LYS A 40 -8.607 -6.178 12.047 1.00 42.44 H new ATOM 0 HB3 LYS A 40 -8.259 -6.078 13.762 1.00 42.44 H new ATOM 0 HG2 LYS A 40 -10.841 -6.324 14.092 1.00 1.23 H new ATOM 0 HG3 LYS A 40 -10.866 -6.846 12.419 1.00 1.23 H new ATOM 0 HD2 LYS A 40 -9.250 -8.156 14.652 1.00 60.14 H new ATOM 0 HD3 LYS A 40 -10.772 -8.753 14.021 1.00 60.14 H new ATOM 0 HE2 LYS A 40 -9.139 -10.108 12.969 1.00 52.32 H new ATOM 0 HE3 LYS A 40 -9.601 -8.957 11.730 1.00 52.32 H new ATOM 0 HZ1 LYS A 40 -7.089 -9.505 12.340 1.00 54.50 H new ATOM 0 HZ2 LYS A 40 -7.576 -7.999 11.726 1.00 54.50 H new ATOM 0 HZ3 LYS A 40 -7.329 -8.196 13.394 1.00 54.50 H new ATOM 682 N GLU A 41 -7.338 -3.635 11.722 1.00 13.30 N ATOM 683 CA GLU A 41 -6.004 -3.029 11.550 1.00 11.50 C ATOM 684 C GLU A 41 -6.105 -1.490 11.528 1.00 21.30 C ATOM 685 O GLU A 41 -5.165 -0.809 11.932 1.00 24.15 O ATOM 686 CB GLU A 41 -5.277 -3.557 10.274 1.00 63.22 C ATOM 687 CG GLU A 41 -5.269 -5.103 10.091 1.00 53.52 C ATOM 688 CD GLU A 41 -5.040 -5.925 11.379 1.00 20.05 C ATOM 689 OE1 GLU A 41 -3.881 -6.130 11.774 1.00 75.43 O ATOM 690 OE2 GLU A 41 -6.023 -6.401 11.982 1.00 5.45 O ATOM 0 H GLU A 41 -7.705 -4.085 10.883 1.00 13.30 H new ATOM 0 HA GLU A 41 -5.400 -3.327 12.407 1.00 11.50 H new ATOM 0 HB2 GLU A 41 -5.747 -3.109 9.399 1.00 63.22 H new ATOM 0 HB3 GLU A 41 -4.245 -3.207 10.296 1.00 63.22 H new ATOM 0 HG2 GLU A 41 -6.221 -5.404 9.653 1.00 53.52 H new ATOM 0 HG3 GLU A 41 -4.491 -5.362 9.373 1.00 53.52 H new ATOM 697 N MET A 42 -7.264 -0.952 11.088 1.00 41.22 N ATOM 698 CA MET A 42 -7.530 0.503 11.116 1.00 1.01 C ATOM 699 C MET A 42 -7.654 1.008 12.559 1.00 31.03 C ATOM 700 O MET A 42 -7.234 2.135 12.865 1.00 35.12 O ATOM 701 CB MET A 42 -8.794 0.874 10.299 1.00 64.11 C ATOM 702 CG MET A 42 -8.607 0.747 8.779 1.00 13.42 C ATOM 703 SD MET A 42 -7.177 1.668 8.163 1.00 45.25 S ATOM 704 CE MET A 42 -7.593 3.360 8.575 1.00 42.43 C ATOM 0 H MET A 42 -8.032 -1.506 10.708 1.00 41.22 H new ATOM 0 HA MET A 42 -6.679 0.996 10.647 1.00 1.01 H new ATOM 0 HB2 MET A 42 -9.618 0.232 10.610 1.00 64.11 H new ATOM 0 HB3 MET A 42 -9.081 1.898 10.536 1.00 64.11 H new ATOM 0 HG2 MET A 42 -8.494 -0.305 8.519 1.00 13.42 H new ATOM 0 HG3 MET A 42 -9.506 1.104 8.277 1.00 13.42 H new ATOM 0 HE1 MET A 42 -7.600 3.964 7.668 1.00 42.43 H new ATOM 0 HE2 MET A 42 -8.579 3.390 9.038 1.00 42.43 H new ATOM 0 HE3 MET A 42 -6.853 3.758 9.270 1.00 42.43 H new ATOM 714 N LYS A 43 -8.221 0.162 13.449 1.00 30.35 N ATOM 715 CA LYS A 43 -8.221 0.445 14.894 1.00 13.31 C ATOM 716 C LYS A 43 -6.771 0.496 15.408 1.00 34.24 C ATOM 717 O LYS A 43 -6.436 1.395 16.143 1.00 3.40 O ATOM 718 CB LYS A 43 -9.082 -0.590 15.704 1.00 73.02 C ATOM 719 CG LYS A 43 -10.498 -0.113 16.170 1.00 42.13 C ATOM 720 CD LYS A 43 -11.604 -0.121 15.076 1.00 14.04 C ATOM 721 CE LYS A 43 -11.502 1.019 14.050 1.00 42.20 C ATOM 722 NZ LYS A 43 -12.607 0.970 13.056 1.00 20.14 N ATOM 0 H LYS A 43 -8.679 -0.712 13.191 1.00 30.35 H new ATOM 0 HA LYS A 43 -8.689 1.417 15.051 1.00 13.31 H new ATOM 0 HB2 LYS A 43 -9.208 -1.482 15.090 1.00 73.02 H new ATOM 0 HB3 LYS A 43 -8.515 -0.888 16.586 1.00 73.02 H new ATOM 0 HG2 LYS A 43 -10.823 -0.748 16.994 1.00 42.13 H new ATOM 0 HG3 LYS A 43 -10.409 0.899 16.564 1.00 42.13 H new ATOM 0 HD2 LYS A 43 -11.565 -1.073 14.546 1.00 14.04 H new ATOM 0 HD3 LYS A 43 -12.578 -0.067 15.563 1.00 14.04 H new ATOM 0 HE2 LYS A 43 -11.522 1.977 14.569 1.00 42.20 H new ATOM 0 HE3 LYS A 43 -10.545 0.957 13.532 1.00 42.20 H new ATOM 0 HZ1 LYS A 43 -12.503 1.755 12.382 1.00 20.14 H new ATOM 0 HZ2 LYS A 43 -12.573 0.066 12.543 1.00 20.14 H new ATOM 0 HZ3 LYS A 43 -13.520 1.055 13.547 1.00 20.14 H new ATOM 736 N LYS A 44 -5.909 -0.446 14.958 1.00 33.42 N ATOM 737 CA LYS A 44 -4.479 -0.475 15.353 1.00 43.25 C ATOM 738 C LYS A 44 -3.749 0.829 14.941 1.00 60.13 C ATOM 739 O LYS A 44 -2.928 1.353 15.697 1.00 45.21 O ATOM 740 CB LYS A 44 -3.751 -1.707 14.732 1.00 74.43 C ATOM 741 CG LYS A 44 -4.258 -3.106 15.186 1.00 73.14 C ATOM 742 CD LYS A 44 -3.655 -3.621 16.533 1.00 60.50 C ATOM 743 CE LYS A 44 -4.141 -2.875 17.795 1.00 14.23 C ATOM 744 NZ LYS A 44 -5.621 -2.938 17.974 1.00 1.15 N ATOM 0 H LYS A 44 -6.178 -1.196 14.321 1.00 33.42 H new ATOM 0 HA LYS A 44 -4.448 -0.558 16.439 1.00 43.25 H new ATOM 0 HB2 LYS A 44 -3.839 -1.646 13.647 1.00 74.43 H new ATOM 0 HB3 LYS A 44 -2.690 -1.634 14.970 1.00 74.43 H new ATOM 0 HG2 LYS A 44 -5.343 -3.069 15.281 1.00 73.14 H new ATOM 0 HG3 LYS A 44 -4.031 -3.830 14.403 1.00 73.14 H new ATOM 0 HD2 LYS A 44 -3.895 -4.679 16.640 1.00 60.50 H new ATOM 0 HD3 LYS A 44 -2.569 -3.544 16.480 1.00 60.50 H new ATOM 0 HE2 LYS A 44 -3.656 -3.302 18.673 1.00 14.23 H new ATOM 0 HE3 LYS A 44 -3.832 -1.832 17.736 1.00 14.23 H new ATOM 0 HZ1 LYS A 44 -6.006 -1.973 18.023 1.00 1.15 H new ATOM 0 HZ2 LYS A 44 -6.047 -3.441 17.169 1.00 1.15 H new ATOM 0 HZ3 LYS A 44 -5.843 -3.444 18.855 1.00 1.15 H new ATOM 758 N LEU A 45 -4.088 1.347 13.749 1.00 71.50 N ATOM 759 CA LEU A 45 -3.478 2.574 13.186 1.00 72.34 C ATOM 760 C LEU A 45 -4.006 3.851 13.891 1.00 22.10 C ATOM 761 O LEU A 45 -3.303 4.870 13.937 1.00 44.30 O ATOM 762 CB LEU A 45 -3.741 2.625 11.655 1.00 75.11 C ATOM 763 CG LEU A 45 -3.183 1.412 10.838 1.00 32.12 C ATOM 764 CD1 LEU A 45 -3.622 1.468 9.361 1.00 62.03 C ATOM 765 CD2 LEU A 45 -1.643 1.305 10.962 1.00 53.12 C ATOM 0 H LEU A 45 -4.794 0.929 13.143 1.00 71.50 H new ATOM 0 HA LEU A 45 -2.403 2.542 13.362 1.00 72.34 H new ATOM 0 HB2 LEU A 45 -4.817 2.689 11.490 1.00 75.11 H new ATOM 0 HB3 LEU A 45 -3.303 3.541 11.258 1.00 75.11 H new ATOM 0 HG LEU A 45 -3.613 0.509 11.271 1.00 32.12 H new ATOM 0 HD11 LEU A 45 -3.215 0.609 8.828 1.00 62.03 H new ATOM 0 HD12 LEU A 45 -4.710 1.448 9.304 1.00 62.03 H new ATOM 0 HD13 LEU A 45 -3.252 2.387 8.906 1.00 62.03 H new ATOM 0 HD21 LEU A 45 -1.290 0.452 10.382 1.00 53.12 H new ATOM 0 HD22 LEU A 45 -1.183 2.217 10.582 1.00 53.12 H new ATOM 0 HD23 LEU A 45 -1.371 1.170 12.009 1.00 53.12 H new ATOM 777 N ALA A 46 -5.238 3.770 14.434 1.00 14.54 N ATOM 778 CA ALA A 46 -5.905 4.894 15.137 1.00 41.02 C ATOM 779 C ALA A 46 -5.563 4.945 16.644 1.00 43.13 C ATOM 780 O ALA A 46 -5.407 6.035 17.211 1.00 72.43 O ATOM 781 CB ALA A 46 -7.427 4.790 14.945 1.00 31.43 C ATOM 0 H ALA A 46 -5.803 2.922 14.399 1.00 14.54 H new ATOM 0 HA ALA A 46 -5.532 5.819 14.698 1.00 41.02 H new ATOM 0 HB1 ALA A 46 -7.916 5.616 15.462 1.00 31.43 H new ATOM 0 HB2 ALA A 46 -7.664 4.836 13.882 1.00 31.43 H new ATOM 0 HB3 ALA A 46 -7.782 3.844 15.355 1.00 31.43 H new ATOM 787 N GLU A 47 -5.461 3.764 17.282 1.00 3.21 N ATOM 788 CA GLU A 47 -5.209 3.632 18.736 1.00 33.50 C ATOM 789 C GLU A 47 -3.727 3.886 19.022 1.00 35.30 C ATOM 790 O GLU A 47 -3.375 4.776 19.809 1.00 40.13 O ATOM 791 CB GLU A 47 -5.614 2.218 19.250 1.00 41.12 C ATOM 792 CG GLU A 47 -7.112 1.870 19.091 1.00 33.43 C ATOM 793 CD GLU A 47 -7.438 0.415 19.472 1.00 12.20 C ATOM 794 OE1 GLU A 47 -7.076 -0.510 18.703 1.00 20.45 O ATOM 795 OE2 GLU A 47 -8.041 0.179 20.547 1.00 75.20 O ATOM 0 H GLU A 47 -5.551 2.868 16.804 1.00 3.21 H new ATOM 0 HA GLU A 47 -5.817 4.369 19.261 1.00 33.50 H new ATOM 0 HB2 GLU A 47 -5.024 1.472 18.718 1.00 41.12 H new ATOM 0 HB3 GLU A 47 -5.348 2.141 20.304 1.00 41.12 H new ATOM 0 HG2 GLU A 47 -7.703 2.543 19.712 1.00 33.43 H new ATOM 0 HG3 GLU A 47 -7.412 2.044 18.058 1.00 33.43 H new ATOM 802 N GLU A 48 -2.864 3.090 18.360 1.00 20.53 N ATOM 803 CA GLU A 48 -1.408 3.237 18.460 1.00 11.52 C ATOM 804 C GLU A 48 -0.993 4.467 17.647 1.00 65.14 C ATOM 805 O GLU A 48 -1.363 4.585 16.479 1.00 23.03 O ATOM 806 CB GLU A 48 -0.673 1.958 17.951 1.00 2.32 C ATOM 807 CG GLU A 48 -1.204 0.630 18.535 1.00 33.41 C ATOM 808 CD GLU A 48 -1.230 0.603 20.076 1.00 51.25 C ATOM 809 OE1 GLU A 48 -0.153 0.434 20.703 1.00 72.34 O ATOM 810 OE2 GLU A 48 -2.326 0.736 20.670 1.00 33.14 O ATOM 0 H GLU A 48 -3.160 2.332 17.745 1.00 20.53 H new ATOM 0 HA GLU A 48 -1.125 3.369 19.504 1.00 11.52 H new ATOM 0 HB2 GLU A 48 -0.753 1.918 16.865 1.00 2.32 H new ATOM 0 HB3 GLU A 48 0.387 2.046 18.190 1.00 2.32 H new ATOM 0 HG2 GLU A 48 -2.212 0.454 18.159 1.00 33.41 H new ATOM 0 HG3 GLU A 48 -0.582 -0.190 18.176 1.00 33.41 H new ATOM 817 N LYS A 49 -0.277 5.395 18.287 1.00 51.24 N ATOM 818 CA LYS A 49 0.194 6.645 17.653 1.00 22.53 C ATOM 819 C LYS A 49 1.708 6.542 17.336 1.00 15.23 C ATOM 820 O LYS A 49 2.304 7.460 16.757 1.00 73.12 O ATOM 821 CB LYS A 49 -0.138 7.835 18.603 1.00 4.33 C ATOM 822 CG LYS A 49 -0.004 9.242 17.982 1.00 54.12 C ATOM 823 CD LYS A 49 -0.455 10.355 18.958 1.00 11.44 C ATOM 824 CE LYS A 49 -0.408 11.758 18.341 1.00 41.04 C ATOM 825 NZ LYS A 49 -0.883 12.806 19.286 1.00 14.52 N ATOM 0 H LYS A 49 -0.002 5.307 19.265 1.00 51.24 H new ATOM 0 HA LYS A 49 -0.313 6.814 16.703 1.00 22.53 H new ATOM 0 HB2 LYS A 49 -1.159 7.713 18.966 1.00 4.33 H new ATOM 0 HB3 LYS A 49 0.518 7.777 19.472 1.00 4.33 H new ATOM 0 HG2 LYS A 49 1.033 9.413 17.693 1.00 54.12 H new ATOM 0 HG3 LYS A 49 -0.602 9.294 17.072 1.00 54.12 H new ATOM 0 HD2 LYS A 49 -1.471 10.146 19.292 1.00 11.44 H new ATOM 0 HD3 LYS A 49 0.182 10.333 19.842 1.00 11.44 H new ATOM 0 HE2 LYS A 49 0.613 11.984 18.035 1.00 41.04 H new ATOM 0 HE3 LYS A 49 -1.023 11.778 17.441 1.00 41.04 H new ATOM 0 HZ1 LYS A 49 -0.833 13.737 18.825 1.00 14.52 H new ATOM 0 HZ2 LYS A 49 -1.867 12.607 19.559 1.00 14.52 H new ATOM 0 HZ3 LYS A 49 -0.281 12.807 20.134 1.00 14.52 H new ATOM 839 N ASN A 50 2.289 5.383 17.706 1.00 44.11 N ATOM 840 CA ASN A 50 3.722 5.059 17.555 1.00 14.23 C ATOM 841 C ASN A 50 4.190 5.119 16.081 1.00 63.21 C ATOM 842 O ASN A 50 3.470 4.686 15.172 1.00 62.13 O ATOM 843 CB ASN A 50 3.962 3.641 18.143 1.00 72.15 C ATOM 844 CG ASN A 50 5.404 3.138 18.040 1.00 40.12 C ATOM 845 OD1 ASN A 50 6.363 3.906 18.084 1.00 73.42 O ATOM 846 ND2 ASN A 50 5.556 1.840 17.904 1.00 35.42 N ATOM 0 H ASN A 50 1.758 4.623 18.131 1.00 44.11 H new ATOM 0 HA ASN A 50 4.307 5.805 18.093 1.00 14.23 H new ATOM 0 HB2 ASN A 50 3.667 3.644 19.192 1.00 72.15 H new ATOM 0 HB3 ASN A 50 3.309 2.935 17.630 1.00 72.15 H new ATOM 0 HD21 ASN A 50 6.492 1.441 17.831 1.00 35.42 H new ATOM 0 HD22 ASN A 50 4.738 1.231 17.871 1.00 35.42 H new ATOM 853 N PHE A 51 5.398 5.665 15.876 1.00 1.12 N ATOM 854 CA PHE A 51 6.045 5.749 14.555 1.00 70.45 C ATOM 855 C PHE A 51 6.628 4.376 14.173 1.00 65.12 C ATOM 856 O PHE A 51 7.455 3.819 14.908 1.00 63.04 O ATOM 857 CB PHE A 51 7.148 6.845 14.576 1.00 33.32 C ATOM 858 CG PHE A 51 7.729 7.214 13.208 1.00 12.45 C ATOM 859 CD1 PHE A 51 7.102 8.167 12.400 1.00 60.01 C ATOM 860 CD2 PHE A 51 8.912 6.634 12.738 1.00 65.23 C ATOM 861 CE1 PHE A 51 7.631 8.517 11.170 1.00 42.21 C ATOM 862 CE2 PHE A 51 9.441 6.986 11.509 1.00 21.22 C ATOM 863 CZ PHE A 51 8.802 7.932 10.729 1.00 23.43 C ATOM 0 H PHE A 51 5.959 6.065 16.628 1.00 1.12 H new ATOM 0 HA PHE A 51 5.307 6.026 13.802 1.00 70.45 H new ATOM 0 HB2 PHE A 51 6.735 7.745 15.032 1.00 33.32 H new ATOM 0 HB3 PHE A 51 7.961 6.507 15.219 1.00 33.32 H new ATOM 0 HD1 PHE A 51 6.191 8.637 12.741 1.00 60.01 H new ATOM 0 HD2 PHE A 51 9.421 5.899 13.344 1.00 65.23 H new ATOM 0 HE1 PHE A 51 7.128 9.248 10.554 1.00 42.21 H new ATOM 0 HE2 PHE A 51 10.352 6.523 11.159 1.00 21.22 H new ATOM 0 HZ PHE A 51 9.219 8.214 9.774 1.00 23.43 H new ATOM 873 N GLU A 52 6.184 3.846 13.024 1.00 2.42 N ATOM 874 CA GLU A 52 6.605 2.533 12.519 1.00 61.13 C ATOM 875 C GLU A 52 6.319 2.446 11.011 1.00 4.12 C ATOM 876 O GLU A 52 5.263 2.890 10.548 1.00 1.42 O ATOM 877 CB GLU A 52 5.877 1.384 13.285 1.00 31.33 C ATOM 878 CG GLU A 52 6.317 -0.048 12.892 1.00 42.22 C ATOM 879 CD GLU A 52 7.820 -0.313 13.112 1.00 62.44 C ATOM 880 OE1 GLU A 52 8.225 -0.640 14.247 1.00 74.50 O ATOM 881 OE2 GLU A 52 8.610 -0.177 12.157 1.00 5.42 O ATOM 0 H GLU A 52 5.518 4.321 12.415 1.00 2.42 H new ATOM 0 HA GLU A 52 7.676 2.417 12.686 1.00 61.13 H new ATOM 0 HB2 GLU A 52 6.043 1.518 14.354 1.00 31.33 H new ATOM 0 HB3 GLU A 52 4.804 1.477 13.115 1.00 31.33 H new ATOM 0 HG2 GLU A 52 5.741 -0.769 13.472 1.00 42.22 H new ATOM 0 HG3 GLU A 52 6.076 -0.218 11.843 1.00 42.22 H new ATOM 888 N LYS A 53 7.269 1.888 10.248 1.00 53.12 N ATOM 889 CA LYS A 53 7.118 1.710 8.798 1.00 72.12 C ATOM 890 C LYS A 53 6.445 0.359 8.533 1.00 74.13 C ATOM 891 O LYS A 53 7.099 -0.694 8.528 1.00 55.35 O ATOM 892 CB LYS A 53 8.484 1.807 8.080 1.00 31.32 C ATOM 893 CG LYS A 53 9.272 3.095 8.390 1.00 51.05 C ATOM 894 CD LYS A 53 10.582 3.224 7.577 1.00 22.14 C ATOM 895 CE LYS A 53 11.527 2.031 7.782 1.00 32.14 C ATOM 896 NZ LYS A 53 11.908 1.826 9.207 1.00 3.10 N ATOM 0 H LYS A 53 8.158 1.549 10.616 1.00 53.12 H new ATOM 0 HA LYS A 53 6.492 2.508 8.398 1.00 72.12 H new ATOM 0 HB2 LYS A 53 9.091 0.947 8.361 1.00 31.32 H new ATOM 0 HB3 LYS A 53 8.321 1.744 7.004 1.00 31.32 H new ATOM 0 HG2 LYS A 53 8.639 3.958 8.184 1.00 51.05 H new ATOM 0 HG3 LYS A 53 9.509 3.120 9.454 1.00 51.05 H new ATOM 0 HD2 LYS A 53 10.340 3.313 6.518 1.00 22.14 H new ATOM 0 HD3 LYS A 53 11.095 4.142 7.865 1.00 22.14 H new ATOM 0 HE2 LYS A 53 11.048 1.127 7.407 1.00 32.14 H new ATOM 0 HE3 LYS A 53 12.429 2.183 7.189 1.00 32.14 H new ATOM 0 HZ1 LYS A 53 12.572 1.029 9.278 1.00 3.10 H new ATOM 0 HZ2 LYS A 53 12.361 2.688 9.573 1.00 3.10 H new ATOM 0 HZ3 LYS A 53 11.057 1.618 9.767 1.00 3.10 H new ATOM 910 N ILE A 54 5.118 0.402 8.379 1.00 74.03 N ATOM 911 CA ILE A 54 4.285 -0.789 8.199 1.00 5.52 C ATOM 912 C ILE A 54 3.878 -0.931 6.722 1.00 41.21 C ATOM 913 O ILE A 54 3.290 -0.013 6.144 1.00 44.30 O ATOM 914 CB ILE A 54 2.998 -0.748 9.117 1.00 64.34 C ATOM 915 CG1 ILE A 54 3.400 -0.556 10.616 1.00 33.31 C ATOM 916 CG2 ILE A 54 2.143 -2.033 8.936 1.00 3.51 C ATOM 917 CD1 ILE A 54 2.240 -0.547 11.603 1.00 4.11 C ATOM 0 H ILE A 54 4.588 1.273 8.376 1.00 74.03 H new ATOM 0 HA ILE A 54 4.876 -1.655 8.497 1.00 5.52 H new ATOM 0 HB ILE A 54 2.390 0.104 8.812 1.00 64.34 H new ATOM 0 HG12 ILE A 54 4.088 -1.354 10.896 1.00 33.31 H new ATOM 0 HG13 ILE A 54 3.945 0.383 10.712 1.00 33.31 H new ATOM 0 HG21 ILE A 54 1.264 -1.979 9.579 1.00 3.51 H new ATOM 0 HG22 ILE A 54 1.827 -2.117 7.896 1.00 3.51 H new ATOM 0 HG23 ILE A 54 2.737 -2.906 9.206 1.00 3.51 H new ATOM 0 HD11 ILE A 54 2.623 -0.408 12.614 1.00 4.11 H new ATOM 0 HD12 ILE A 54 1.560 0.269 11.358 1.00 4.11 H new ATOM 0 HD13 ILE A 54 1.705 -1.495 11.545 1.00 4.11 H new ATOM 929 N LEU A 55 4.222 -2.081 6.115 1.00 62.10 N ATOM 930 CA LEU A 55 3.716 -2.459 4.796 1.00 34.43 C ATOM 931 C LEU A 55 2.299 -3.019 4.982 1.00 2.54 C ATOM 932 O LEU A 55 2.134 -4.098 5.553 1.00 22.42 O ATOM 933 CB LEU A 55 4.615 -3.536 4.134 1.00 52.45 C ATOM 934 CG LEU A 55 4.206 -3.950 2.667 1.00 42.40 C ATOM 935 CD1 LEU A 55 4.794 -2.981 1.634 1.00 14.43 C ATOM 936 CD2 LEU A 55 4.579 -5.407 2.337 1.00 31.40 C ATOM 0 H LEU A 55 4.855 -2.766 6.527 1.00 62.10 H new ATOM 0 HA LEU A 55 3.713 -1.585 4.145 1.00 34.43 H new ATOM 0 HB2 LEU A 55 5.641 -3.168 4.117 1.00 52.45 H new ATOM 0 HB3 LEU A 55 4.606 -4.428 4.761 1.00 52.45 H new ATOM 0 HG LEU A 55 3.119 -3.886 2.616 1.00 42.40 H new ATOM 0 HD11 LEU A 55 4.495 -3.291 0.633 1.00 14.43 H new ATOM 0 HD12 LEU A 55 4.424 -1.974 1.827 1.00 14.43 H new ATOM 0 HD13 LEU A 55 5.882 -2.988 1.707 1.00 14.43 H new ATOM 0 HD21 LEU A 55 4.275 -5.638 1.316 1.00 31.40 H new ATOM 0 HD22 LEU A 55 5.657 -5.537 2.433 1.00 31.40 H new ATOM 0 HD23 LEU A 55 4.070 -6.078 3.028 1.00 31.40 H new ATOM 948 N ILE A 56 1.287 -2.272 4.538 1.00 52.01 N ATOM 949 CA ILE A 56 -0.103 -2.733 4.589 1.00 4.21 C ATOM 950 C ILE A 56 -0.421 -3.474 3.285 1.00 52.12 C ATOM 951 O ILE A 56 -0.393 -2.887 2.208 1.00 71.31 O ATOM 952 CB ILE A 56 -1.125 -1.548 4.775 1.00 70.54 C ATOM 953 CG1 ILE A 56 -0.861 -0.768 6.097 1.00 65.31 C ATOM 954 CG2 ILE A 56 -2.588 -2.062 4.731 1.00 4.50 C ATOM 955 CD1 ILE A 56 -1.106 -1.561 7.375 1.00 73.10 C ATOM 0 H ILE A 56 1.404 -1.341 4.137 1.00 52.01 H new ATOM 0 HA ILE A 56 -0.207 -3.390 5.453 1.00 4.21 H new ATOM 0 HB ILE A 56 -0.977 -0.859 3.944 1.00 70.54 H new ATOM 0 HG12 ILE A 56 0.172 -0.421 6.096 1.00 65.31 H new ATOM 0 HG13 ILE A 56 -1.495 0.118 6.111 1.00 65.31 H new ATOM 0 HG21 ILE A 56 -3.272 -1.224 4.862 1.00 4.50 H new ATOM 0 HG22 ILE A 56 -2.778 -2.538 3.769 1.00 4.50 H new ATOM 0 HG23 ILE A 56 -2.744 -2.786 5.531 1.00 4.50 H new ATOM 0 HD11 ILE A 56 -0.895 -0.932 8.240 1.00 73.10 H new ATOM 0 HD12 ILE A 56 -2.146 -1.886 7.408 1.00 73.10 H new ATOM 0 HD13 ILE A 56 -0.453 -2.433 7.393 1.00 73.10 H new ATOM 967 N LYS A 57 -0.675 -4.771 3.392 1.00 64.14 N ATOM 968 CA LYS A 57 -1.202 -5.582 2.300 1.00 34.13 C ATOM 969 C LYS A 57 -2.726 -5.562 2.402 1.00 30.03 C ATOM 970 O LYS A 57 -3.272 -5.684 3.496 1.00 3.43 O ATOM 971 CB LYS A 57 -0.628 -7.025 2.423 1.00 11.24 C ATOM 972 CG LYS A 57 -1.180 -8.098 1.443 1.00 51.05 C ATOM 973 CD LYS A 57 -2.497 -8.787 1.893 1.00 4.14 C ATOM 974 CE LYS A 57 -2.823 -10.028 1.059 1.00 42.52 C ATOM 975 NZ LYS A 57 -1.774 -11.079 1.195 1.00 12.14 N ATOM 0 H LYS A 57 -0.519 -5.298 4.251 1.00 64.14 H new ATOM 0 HA LYS A 57 -0.910 -5.192 1.325 1.00 34.13 H new ATOM 0 HB2 LYS A 57 0.452 -6.971 2.290 1.00 11.24 H new ATOM 0 HB3 LYS A 57 -0.807 -7.373 3.440 1.00 11.24 H new ATOM 0 HG2 LYS A 57 -1.346 -7.630 0.473 1.00 51.05 H new ATOM 0 HG3 LYS A 57 -0.418 -8.864 1.301 1.00 51.05 H new ATOM 0 HD2 LYS A 57 -2.415 -9.070 2.943 1.00 4.14 H new ATOM 0 HD3 LYS A 57 -3.320 -8.076 1.817 1.00 4.14 H new ATOM 0 HE2 LYS A 57 -3.786 -10.433 1.371 1.00 42.52 H new ATOM 0 HE3 LYS A 57 -2.921 -9.746 0.011 1.00 42.52 H new ATOM 0 HZ1 LYS A 57 -1.350 -11.268 0.265 1.00 12.14 H new ATOM 0 HZ2 LYS A 57 -1.037 -10.751 1.851 1.00 12.14 H new ATOM 0 HZ3 LYS A 57 -2.203 -11.952 1.564 1.00 12.14 H new ATOM 989 N SER A 58 -3.396 -5.386 1.264 1.00 52.14 N ATOM 990 CA SER A 58 -4.847 -5.498 1.163 1.00 14.35 C ATOM 991 C SER A 58 -5.195 -5.973 -0.250 1.00 42.25 C ATOM 992 O SER A 58 -4.908 -5.276 -1.233 1.00 12.14 O ATOM 993 CB SER A 58 -5.515 -4.150 1.492 1.00 14.44 C ATOM 994 OG SER A 58 -6.927 -4.253 1.471 1.00 41.02 O ATOM 0 H SER A 58 -2.941 -5.160 0.379 1.00 52.14 H new ATOM 0 HA SER A 58 -5.223 -6.222 1.885 1.00 14.35 H new ATOM 0 HB2 SER A 58 -5.188 -3.811 2.475 1.00 14.44 H new ATOM 0 HB3 SER A 58 -5.193 -3.398 0.772 1.00 14.44 H new ATOM 0 HG SER A 58 -7.295 -3.870 2.294 1.00 41.02 H new ATOM 1000 N ASN A 59 -5.807 -7.164 -0.327 1.00 44.12 N ATOM 1001 CA ASN A 59 -6.092 -7.860 -1.594 1.00 60.24 C ATOM 1002 C ASN A 59 -7.203 -7.150 -2.378 1.00 32.35 C ATOM 1003 O ASN A 59 -7.092 -6.951 -3.592 1.00 1.32 O ATOM 1004 CB ASN A 59 -6.483 -9.334 -1.295 1.00 23.21 C ATOM 1005 CG ASN A 59 -6.803 -10.168 -2.545 1.00 61.31 C ATOM 1006 OD1 ASN A 59 -5.910 -10.739 -3.173 1.00 42.23 O ATOM 1007 ND2 ASN A 59 -8.076 -10.257 -2.901 1.00 54.22 N ATOM 0 H ASN A 59 -6.122 -7.678 0.496 1.00 44.12 H new ATOM 0 HA ASN A 59 -5.196 -7.845 -2.214 1.00 60.24 H new ATOM 0 HB2 ASN A 59 -5.667 -9.812 -0.753 1.00 23.21 H new ATOM 0 HB3 ASN A 59 -7.351 -9.341 -0.636 1.00 23.21 H new ATOM 0 HD21 ASN A 59 -8.340 -10.810 -3.716 1.00 54.22 H new ATOM 0 HD22 ASN A 59 -8.792 -9.772 -2.360 1.00 54.22 H new ATOM 1014 N ASP A 60 -8.259 -6.745 -1.666 1.00 61.53 N ATOM 1015 CA ASP A 60 -9.482 -6.208 -2.287 1.00 23.43 C ATOM 1016 C ASP A 60 -9.448 -4.668 -2.323 1.00 74.12 C ATOM 1017 O ASP A 60 -9.250 -4.022 -1.295 1.00 15.50 O ATOM 1018 CB ASP A 60 -10.732 -6.737 -1.542 1.00 53.13 C ATOM 1019 CG ASP A 60 -10.884 -8.261 -1.681 1.00 3.25 C ATOM 1020 OD1 ASP A 60 -10.215 -9.007 -0.929 1.00 35.05 O ATOM 1021 OD2 ASP A 60 -11.652 -8.719 -2.559 1.00 75.31 O ATOM 0 H ASP A 60 -8.294 -6.778 -0.647 1.00 61.53 H new ATOM 0 HA ASP A 60 -9.535 -6.552 -3.320 1.00 23.43 H new ATOM 0 HB2 ASP A 60 -10.663 -6.474 -0.486 1.00 53.13 H new ATOM 0 HB3 ASP A 60 -11.623 -6.247 -1.935 1.00 53.13 H new ATOM 1026 N LYS A 61 -9.663 -4.120 -3.533 1.00 55.22 N ATOM 1027 CA LYS A 61 -9.614 -2.667 -3.853 1.00 13.01 C ATOM 1028 C LYS A 61 -10.633 -1.836 -3.037 1.00 21.12 C ATOM 1029 O LYS A 61 -10.389 -0.646 -2.772 1.00 24.31 O ATOM 1030 CB LYS A 61 -9.880 -2.501 -5.370 1.00 31.24 C ATOM 1031 CG LYS A 61 -11.276 -3.009 -5.801 1.00 51.14 C ATOM 1032 CD LYS A 61 -11.448 -3.158 -7.319 1.00 44.21 C ATOM 1033 CE LYS A 61 -12.844 -3.685 -7.691 1.00 24.34 C ATOM 1034 NZ LYS A 61 -13.003 -3.885 -9.156 1.00 23.12 N ATOM 0 H LYS A 61 -9.884 -4.690 -4.349 1.00 55.22 H new ATOM 0 HA LYS A 61 -8.628 -2.288 -3.582 1.00 13.01 H new ATOM 0 HB2 LYS A 61 -9.785 -1.448 -5.636 1.00 31.24 H new ATOM 0 HB3 LYS A 61 -9.115 -3.041 -5.928 1.00 31.24 H new ATOM 0 HG2 LYS A 61 -11.461 -3.974 -5.329 1.00 51.14 H new ATOM 0 HG3 LYS A 61 -12.033 -2.320 -5.426 1.00 51.14 H new ATOM 0 HD2 LYS A 61 -11.285 -2.193 -7.799 1.00 44.21 H new ATOM 0 HD3 LYS A 61 -10.689 -3.838 -7.705 1.00 44.21 H new ATOM 0 HE2 LYS A 61 -13.022 -4.630 -7.177 1.00 24.34 H new ATOM 0 HE3 LYS A 61 -13.600 -2.983 -7.339 1.00 24.34 H new ATOM 0 HZ1 LYS A 61 -13.769 -3.276 -9.508 1.00 23.12 H new ATOM 0 HZ2 LYS A 61 -12.115 -3.639 -9.638 1.00 23.12 H new ATOM 0 HZ3 LYS A 61 -13.236 -4.880 -9.347 1.00 23.12 H new ATOM 1048 N GLN A 62 -11.764 -2.475 -2.648 1.00 1.35 N ATOM 1049 CA GLN A 62 -12.806 -1.855 -1.798 1.00 53.51 C ATOM 1050 C GLN A 62 -12.189 -1.387 -0.479 1.00 44.33 C ATOM 1051 O GLN A 62 -12.359 -0.233 -0.072 1.00 23.32 O ATOM 1052 CB GLN A 62 -13.938 -2.871 -1.486 1.00 72.30 C ATOM 1053 CG GLN A 62 -14.821 -3.251 -2.685 1.00 34.13 C ATOM 1054 CD GLN A 62 -15.743 -4.452 -2.412 1.00 31.11 C ATOM 1055 OE1 GLN A 62 -16.069 -5.216 -3.316 1.00 25.44 O ATOM 1056 NE2 GLN A 62 -16.170 -4.637 -1.171 1.00 4.32 N ATOM 0 H GLN A 62 -11.978 -3.436 -2.916 1.00 1.35 H new ATOM 0 HA GLN A 62 -13.224 -1.006 -2.339 1.00 53.51 H new ATOM 0 HB2 GLN A 62 -13.489 -3.779 -1.083 1.00 72.30 H new ATOM 0 HB3 GLN A 62 -14.573 -2.455 -0.704 1.00 72.30 H new ATOM 0 HG2 GLN A 62 -15.430 -2.391 -2.964 1.00 34.13 H new ATOM 0 HG3 GLN A 62 -14.183 -3.480 -3.538 1.00 34.13 H new ATOM 0 HE21 GLN A 62 -15.888 -3.991 -0.433 1.00 4.32 H new ATOM 0 HE22 GLN A 62 -16.780 -5.425 -0.954 1.00 4.32 H new ATOM 1065 N LEU A 63 -11.405 -2.309 0.112 1.00 31.22 N ATOM 1066 CA LEU A 63 -10.801 -2.155 1.435 1.00 63.32 C ATOM 1067 C LEU A 63 -9.870 -0.934 1.476 1.00 51.44 C ATOM 1068 O LEU A 63 -9.831 -0.227 2.472 1.00 53.11 O ATOM 1069 CB LEU A 63 -10.027 -3.444 1.826 1.00 32.42 C ATOM 1070 CG LEU A 63 -10.822 -4.784 1.705 1.00 23.13 C ATOM 1071 CD1 LEU A 63 -9.962 -5.992 2.136 1.00 23.04 C ATOM 1072 CD2 LEU A 63 -12.153 -4.724 2.483 1.00 64.42 C ATOM 0 H LEU A 63 -11.174 -3.198 -0.332 1.00 31.22 H new ATOM 0 HA LEU A 63 -11.600 -1.993 2.159 1.00 63.32 H new ATOM 0 HB2 LEU A 63 -9.138 -3.514 1.199 1.00 32.42 H new ATOM 0 HB3 LEU A 63 -9.684 -3.340 2.855 1.00 32.42 H new ATOM 0 HG LEU A 63 -11.070 -4.923 0.653 1.00 23.13 H new ATOM 0 HD11 LEU A 63 -10.546 -6.907 2.039 1.00 23.04 H new ATOM 0 HD12 LEU A 63 -9.079 -6.056 1.500 1.00 23.04 H new ATOM 0 HD13 LEU A 63 -9.653 -5.867 3.174 1.00 23.04 H new ATOM 0 HD21 LEU A 63 -12.680 -5.672 2.377 1.00 64.42 H new ATOM 0 HD22 LEU A 63 -11.950 -4.538 3.538 1.00 64.42 H new ATOM 0 HD23 LEU A 63 -12.771 -3.919 2.085 1.00 64.42 H new ATOM 1084 N LEU A 64 -9.161 -0.693 0.354 1.00 54.32 N ATOM 1085 CA LEU A 64 -8.224 0.437 0.212 1.00 15.24 C ATOM 1086 C LEU A 64 -8.949 1.780 0.229 1.00 24.40 C ATOM 1087 O LEU A 64 -8.492 2.708 0.889 1.00 70.40 O ATOM 1088 CB LEU A 64 -7.404 0.346 -1.090 1.00 55.33 C ATOM 1089 CG LEU A 64 -6.251 -0.694 -1.105 1.00 34.35 C ATOM 1090 CD1 LEU A 64 -6.755 -2.139 -1.224 1.00 41.02 C ATOM 1091 CD2 LEU A 64 -5.267 -0.357 -2.212 1.00 53.22 C ATOM 0 H LEU A 64 -9.223 -1.278 -0.479 1.00 54.32 H new ATOM 0 HA LEU A 64 -7.552 0.374 1.068 1.00 15.24 H new ATOM 0 HB2 LEU A 64 -8.086 0.113 -1.908 1.00 55.33 H new ATOM 0 HB3 LEU A 64 -6.981 1.329 -1.297 1.00 55.33 H new ATOM 0 HG LEU A 64 -5.741 -0.634 -0.144 1.00 34.35 H new ATOM 0 HD11 LEU A 64 -5.905 -2.821 -1.230 1.00 41.02 H new ATOM 0 HD12 LEU A 64 -7.401 -2.370 -0.377 1.00 41.02 H new ATOM 0 HD13 LEU A 64 -7.318 -2.253 -2.150 1.00 41.02 H new ATOM 0 HD21 LEU A 64 -4.460 -1.090 -2.217 1.00 53.22 H new ATOM 0 HD22 LEU A 64 -5.781 -0.375 -3.173 1.00 53.22 H new ATOM 0 HD23 LEU A 64 -4.853 0.637 -2.041 1.00 53.22 H new ATOM 1103 N LYS A 65 -10.053 1.876 -0.541 1.00 41.04 N ATOM 1104 CA LYS A 65 -10.866 3.102 -0.613 1.00 45.52 C ATOM 1105 C LYS A 65 -11.339 3.502 0.795 1.00 11.23 C ATOM 1106 O LYS A 65 -11.045 4.600 1.268 1.00 54.12 O ATOM 1107 CB LYS A 65 -12.076 2.899 -1.562 1.00 71.14 C ATOM 1108 CG LYS A 65 -11.687 2.656 -3.037 1.00 72.01 C ATOM 1109 CD LYS A 65 -12.921 2.478 -3.950 1.00 42.42 C ATOM 1110 CE LYS A 65 -12.565 2.311 -5.437 1.00 14.14 C ATOM 1111 NZ LYS A 65 -11.928 3.527 -6.009 1.00 53.32 N ATOM 0 H LYS A 65 -10.401 1.114 -1.123 1.00 41.04 H new ATOM 0 HA LYS A 65 -10.253 3.908 -1.017 1.00 45.52 H new ATOM 0 HB2 LYS A 65 -12.663 2.052 -1.208 1.00 71.14 H new ATOM 0 HB3 LYS A 65 -12.719 3.778 -1.507 1.00 71.14 H new ATOM 0 HG2 LYS A 65 -11.091 3.495 -3.396 1.00 72.01 H new ATOM 0 HG3 LYS A 65 -11.059 1.768 -3.103 1.00 72.01 H new ATOM 0 HD2 LYS A 65 -13.485 1.606 -3.619 1.00 42.42 H new ATOM 0 HD3 LYS A 65 -13.575 3.342 -3.836 1.00 42.42 H new ATOM 0 HE2 LYS A 65 -11.891 1.463 -5.553 1.00 14.14 H new ATOM 0 HE3 LYS A 65 -13.469 2.079 -6.000 1.00 14.14 H new ATOM 0 HZ1 LYS A 65 -12.499 3.876 -6.805 1.00 53.32 H new ATOM 0 HZ2 LYS A 65 -11.866 4.263 -5.277 1.00 53.32 H new ATOM 0 HZ3 LYS A 65 -10.972 3.293 -6.346 1.00 53.32 H new ATOM 1125 N GLU A 66 -11.981 2.534 1.472 1.00 45.01 N ATOM 1126 CA GLU A 66 -12.522 2.687 2.838 1.00 22.22 C ATOM 1127 C GLU A 66 -11.409 3.041 3.848 1.00 14.11 C ATOM 1128 O GLU A 66 -11.604 3.885 4.731 1.00 64.34 O ATOM 1129 CB GLU A 66 -13.214 1.372 3.261 1.00 73.32 C ATOM 1130 CG GLU A 66 -14.301 0.886 2.285 1.00 3.31 C ATOM 1131 CD GLU A 66 -14.897 -0.463 2.694 1.00 64.22 C ATOM 1132 OE1 GLU A 66 -14.262 -1.509 2.418 1.00 21.43 O ATOM 1133 OE2 GLU A 66 -16.000 -0.493 3.285 1.00 75.31 O ATOM 0 H GLU A 66 -12.142 1.606 1.080 1.00 45.01 H new ATOM 0 HA GLU A 66 -13.243 3.505 2.834 1.00 22.22 H new ATOM 0 HB2 GLU A 66 -12.458 0.593 3.362 1.00 73.32 H new ATOM 0 HB3 GLU A 66 -13.662 1.511 4.245 1.00 73.32 H new ATOM 0 HG2 GLU A 66 -15.096 1.630 2.233 1.00 3.31 H new ATOM 0 HG3 GLU A 66 -13.876 0.803 1.285 1.00 3.31 H new ATOM 1140 N MET A 67 -10.243 2.385 3.672 1.00 73.55 N ATOM 1141 CA MET A 67 -9.048 2.565 4.517 1.00 31.01 C ATOM 1142 C MET A 67 -8.554 4.016 4.431 1.00 22.31 C ATOM 1143 O MET A 67 -8.422 4.697 5.449 1.00 2.02 O ATOM 1144 CB MET A 67 -7.915 1.601 4.051 1.00 31.52 C ATOM 1145 CG MET A 67 -6.681 1.546 4.955 1.00 30.12 C ATOM 1146 SD MET A 67 -5.267 0.729 4.180 1.00 2.32 S ATOM 1147 CE MET A 67 -5.922 -0.892 3.784 1.00 75.22 C ATOM 0 H MET A 67 -10.105 1.704 2.925 1.00 73.55 H new ATOM 0 HA MET A 67 -9.313 2.337 5.549 1.00 31.01 H new ATOM 0 HB2 MET A 67 -8.328 0.596 3.969 1.00 31.52 H new ATOM 0 HB3 MET A 67 -7.598 1.898 3.051 1.00 31.52 H new ATOM 0 HG2 MET A 67 -6.398 2.561 5.235 1.00 30.12 H new ATOM 0 HG3 MET A 67 -6.936 1.021 5.876 1.00 30.12 H new ATOM 0 HE1 MET A 67 -5.107 -1.551 3.486 1.00 75.22 H new ATOM 0 HE2 MET A 67 -6.422 -1.306 4.660 1.00 75.22 H new ATOM 0 HE3 MET A 67 -6.637 -0.806 2.966 1.00 75.22 H new ATOM 1157 N LEU A 68 -8.359 4.480 3.184 1.00 44.22 N ATOM 1158 CA LEU A 68 -7.737 5.779 2.869 1.00 50.11 C ATOM 1159 C LEU A 68 -8.650 6.961 3.236 1.00 65.34 C ATOM 1160 O LEU A 68 -8.156 8.034 3.587 1.00 31.11 O ATOM 1161 CB LEU A 68 -7.320 5.805 1.372 1.00 62.23 C ATOM 1162 CG LEU A 68 -6.079 4.904 1.027 1.00 35.51 C ATOM 1163 CD1 LEU A 68 -5.977 4.609 -0.480 1.00 5.12 C ATOM 1164 CD2 LEU A 68 -4.769 5.535 1.552 1.00 63.44 C ATOM 0 H LEU A 68 -8.633 3.955 2.354 1.00 44.22 H new ATOM 0 HA LEU A 68 -6.842 5.894 3.481 1.00 50.11 H new ATOM 0 HB2 LEU A 68 -8.167 5.483 0.766 1.00 62.23 H new ATOM 0 HB3 LEU A 68 -7.097 6.833 1.087 1.00 62.23 H new ATOM 0 HG LEU A 68 -6.229 3.951 1.534 1.00 35.51 H new ATOM 0 HD11 LEU A 68 -5.105 3.984 -0.670 1.00 5.12 H new ATOM 0 HD12 LEU A 68 -6.876 4.088 -0.810 1.00 5.12 H new ATOM 0 HD13 LEU A 68 -5.878 5.546 -1.028 1.00 5.12 H new ATOM 0 HD21 LEU A 68 -3.928 4.890 1.299 1.00 63.44 H new ATOM 0 HD22 LEU A 68 -4.627 6.513 1.093 1.00 63.44 H new ATOM 0 HD23 LEU A 68 -4.827 5.647 2.635 1.00 63.44 H new ATOM 1176 N GLU A 69 -9.977 6.746 3.182 1.00 11.44 N ATOM 1177 CA GLU A 69 -10.982 7.742 3.630 1.00 2.13 C ATOM 1178 C GLU A 69 -10.873 7.992 5.153 1.00 32.10 C ATOM 1179 O GLU A 69 -11.094 9.110 5.627 1.00 34.53 O ATOM 1180 CB GLU A 69 -12.405 7.268 3.247 1.00 62.05 C ATOM 1181 CG GLU A 69 -12.665 7.234 1.727 1.00 55.14 C ATOM 1182 CD GLU A 69 -14.028 6.630 1.354 1.00 73.54 C ATOM 1183 OE1 GLU A 69 -15.063 7.303 1.562 1.00 23.45 O ATOM 1184 OE2 GLU A 69 -14.076 5.477 0.863 1.00 74.40 O ATOM 0 H GLU A 69 -10.387 5.882 2.829 1.00 11.44 H new ATOM 0 HA GLU A 69 -10.783 8.688 3.126 1.00 2.13 H new ATOM 0 HB2 GLU A 69 -12.567 6.271 3.656 1.00 62.05 H new ATOM 0 HB3 GLU A 69 -13.135 7.927 3.716 1.00 62.05 H new ATOM 0 HG2 GLU A 69 -12.606 8.249 1.333 1.00 55.14 H new ATOM 0 HG3 GLU A 69 -11.876 6.658 1.244 1.00 55.14 H new ATOM 1191 N LEU A 70 -10.515 6.936 5.905 1.00 53.21 N ATOM 1192 CA LEU A 70 -10.280 7.014 7.365 1.00 34.20 C ATOM 1193 C LEU A 70 -8.850 7.525 7.666 1.00 5.44 C ATOM 1194 O LEU A 70 -8.622 8.224 8.663 1.00 43.11 O ATOM 1195 CB LEU A 70 -10.528 5.621 7.999 1.00 51.11 C ATOM 1196 CG LEU A 70 -11.950 5.015 7.766 1.00 51.30 C ATOM 1197 CD1 LEU A 70 -12.038 3.580 8.327 1.00 42.31 C ATOM 1198 CD2 LEU A 70 -13.056 5.925 8.357 1.00 64.11 C ATOM 0 H LEU A 70 -10.379 6.001 5.520 1.00 53.21 H new ATOM 0 HA LEU A 70 -10.976 7.728 7.805 1.00 34.20 H new ATOM 0 HB2 LEU A 70 -9.787 4.925 7.604 1.00 51.11 H new ATOM 0 HB3 LEU A 70 -10.356 5.695 9.073 1.00 51.11 H new ATOM 0 HG LEU A 70 -12.117 4.961 6.690 1.00 51.30 H new ATOM 0 HD11 LEU A 70 -13.037 3.182 8.152 1.00 42.31 H new ATOM 0 HD12 LEU A 70 -11.303 2.949 7.828 1.00 42.31 H new ATOM 0 HD13 LEU A 70 -11.836 3.595 9.398 1.00 42.31 H new ATOM 0 HD21 LEU A 70 -14.032 5.474 8.178 1.00 64.11 H new ATOM 0 HD22 LEU A 70 -12.900 6.038 9.430 1.00 64.11 H new ATOM 0 HD23 LEU A 70 -13.015 6.904 7.880 1.00 64.11 H new ATOM 1210 N ILE A 71 -7.909 7.186 6.762 1.00 54.11 N ATOM 1211 CA ILE A 71 -6.508 7.667 6.791 1.00 51.54 C ATOM 1212 C ILE A 71 -6.460 9.197 6.556 1.00 41.21 C ATOM 1213 O ILE A 71 -5.544 9.871 7.027 1.00 72.30 O ATOM 1214 CB ILE A 71 -5.623 6.888 5.729 1.00 72.22 C ATOM 1215 CG1 ILE A 71 -5.363 5.420 6.204 1.00 33.50 C ATOM 1216 CG2 ILE A 71 -4.294 7.611 5.399 1.00 73.13 C ATOM 1217 CD1 ILE A 71 -4.512 4.575 5.268 1.00 5.42 C ATOM 0 H ILE A 71 -8.101 6.561 5.979 1.00 54.11 H new ATOM 0 HA ILE A 71 -6.089 7.465 7.777 1.00 51.54 H new ATOM 0 HB ILE A 71 -6.193 6.864 4.800 1.00 72.22 H new ATOM 0 HG12 ILE A 71 -4.878 5.452 7.180 1.00 33.50 H new ATOM 0 HG13 ILE A 71 -6.324 4.924 6.341 1.00 33.50 H new ATOM 0 HG21 ILE A 71 -3.735 7.028 4.667 1.00 73.13 H new ATOM 0 HG22 ILE A 71 -4.509 8.598 4.989 1.00 73.13 H new ATOM 0 HG23 ILE A 71 -3.702 7.717 6.308 1.00 73.13 H new ATOM 0 HD11 ILE A 71 -4.391 3.576 5.688 1.00 5.42 H new ATOM 0 HD12 ILE A 71 -5.001 4.503 4.297 1.00 5.42 H new ATOM 0 HD13 ILE A 71 -3.533 5.039 5.148 1.00 5.42 H new ATOM 1229 N SER A 72 -7.485 9.731 5.859 1.00 4.25 N ATOM 1230 CA SER A 72 -7.635 11.177 5.621 1.00 74.43 C ATOM 1231 C SER A 72 -7.786 11.966 6.947 1.00 62.42 C ATOM 1232 O SER A 72 -7.444 13.150 7.010 1.00 71.42 O ATOM 1233 CB SER A 72 -8.836 11.435 4.684 1.00 32.11 C ATOM 1234 OG SER A 72 -8.892 12.795 4.277 1.00 22.14 O ATOM 0 H SER A 72 -8.230 9.170 5.447 1.00 4.25 H new ATOM 0 HA SER A 72 -6.726 11.536 5.138 1.00 74.43 H new ATOM 0 HB2 SER A 72 -8.759 10.794 3.806 1.00 32.11 H new ATOM 0 HB3 SER A 72 -9.762 11.168 5.194 1.00 32.11 H new ATOM 0 HG SER A 72 -9.661 12.928 3.684 1.00 22.14 H new ATOM 1240 N LYS A 73 -8.313 11.293 7.992 1.00 30.31 N ATOM 1241 CA LYS A 73 -8.378 11.844 9.360 1.00 12.14 C ATOM 1242 C LYS A 73 -7.039 11.628 10.099 1.00 0.22 C ATOM 1243 O LYS A 73 -6.600 12.491 10.866 1.00 71.20 O ATOM 1244 CB LYS A 73 -9.537 11.186 10.165 1.00 73.33 C ATOM 1245 CG LYS A 73 -10.954 11.508 9.644 1.00 44.34 C ATOM 1246 CD LYS A 73 -11.317 13.024 9.676 1.00 10.32 C ATOM 1247 CE LYS A 73 -11.610 13.584 11.093 1.00 45.13 C ATOM 1248 NZ LYS A 73 -10.417 13.627 11.989 1.00 52.23 N ATOM 0 H LYS A 73 -8.704 10.355 7.910 1.00 30.31 H new ATOM 0 HA LYS A 73 -8.569 12.914 9.281 1.00 12.14 H new ATOM 0 HB2 LYS A 73 -9.399 10.105 10.155 1.00 73.33 H new ATOM 0 HB3 LYS A 73 -9.466 11.507 11.204 1.00 73.33 H new ATOM 0 HG2 LYS A 73 -11.043 11.146 8.620 1.00 44.34 H new ATOM 0 HG3 LYS A 73 -11.682 10.959 10.241 1.00 44.34 H new ATOM 0 HD2 LYS A 73 -10.496 13.591 9.237 1.00 10.32 H new ATOM 0 HD3 LYS A 73 -12.191 13.189 9.046 1.00 10.32 H new ATOM 0 HE2 LYS A 73 -12.016 14.591 10.997 1.00 45.13 H new ATOM 0 HE3 LYS A 73 -12.381 12.973 11.561 1.00 45.13 H new ATOM 0 HZ1 LYS A 73 -10.440 14.498 12.557 1.00 52.23 H new ATOM 0 HZ2 LYS A 73 -10.428 12.801 12.621 1.00 52.23 H new ATOM 0 HZ3 LYS A 73 -9.550 13.612 11.414 1.00 52.23 H new ATOM 1262 N LEU A 74 -6.407 10.466 9.850 1.00 23.35 N ATOM 1263 CA LEU A 74 -5.154 10.061 10.521 1.00 10.30 C ATOM 1264 C LEU A 74 -3.952 10.955 10.108 1.00 1.43 C ATOM 1265 O LEU A 74 -3.070 11.221 10.931 1.00 3.12 O ATOM 1266 CB LEU A 74 -4.882 8.557 10.244 1.00 50.05 C ATOM 1267 CG LEU A 74 -5.956 7.568 10.820 1.00 0.30 C ATOM 1268 CD1 LEU A 74 -5.688 6.112 10.389 1.00 24.00 C ATOM 1269 CD2 LEU A 74 -6.044 7.683 12.358 1.00 75.45 C ATOM 0 H LEU A 74 -6.750 9.780 9.178 1.00 23.35 H new ATOM 0 HA LEU A 74 -5.275 10.203 11.595 1.00 10.30 H new ATOM 0 HB2 LEU A 74 -4.815 8.409 9.166 1.00 50.05 H new ATOM 0 HB3 LEU A 74 -3.910 8.297 10.662 1.00 50.05 H new ATOM 0 HG LEU A 74 -6.920 7.856 10.400 1.00 0.30 H new ATOM 0 HD11 LEU A 74 -6.455 5.461 10.809 1.00 24.00 H new ATOM 0 HD12 LEU A 74 -5.711 6.044 9.301 1.00 24.00 H new ATOM 0 HD13 LEU A 74 -4.708 5.800 10.751 1.00 24.00 H new ATOM 0 HD21 LEU A 74 -6.795 6.988 12.732 1.00 75.45 H new ATOM 0 HD22 LEU A 74 -5.076 7.442 12.797 1.00 75.45 H new ATOM 0 HD23 LEU A 74 -6.323 8.701 12.631 1.00 75.45 H new ATOM 1281 N GLY A 75 -3.953 11.420 8.842 1.00 14.15 N ATOM 1282 CA GLY A 75 -2.965 12.384 8.344 1.00 13.45 C ATOM 1283 C GLY A 75 -1.519 11.892 8.404 1.00 51.24 C ATOM 1284 O GLY A 75 -0.700 12.452 9.148 1.00 33.12 O ATOM 0 H GLY A 75 -4.639 11.136 8.142 1.00 14.15 H new ATOM 0 HA2 GLY A 75 -3.208 12.635 7.312 1.00 13.45 H new ATOM 0 HA3 GLY A 75 -3.048 13.303 8.924 1.00 13.45 H new ATOM 1288 N TYR A 76 -1.199 10.844 7.629 1.00 33.43 N ATOM 1289 CA TYR A 76 0.184 10.330 7.504 1.00 52.11 C ATOM 1290 C TYR A 76 0.487 9.919 6.056 1.00 35.35 C ATOM 1291 O TYR A 76 -0.418 9.870 5.212 1.00 13.31 O ATOM 1292 CB TYR A 76 0.464 9.165 8.515 1.00 32.23 C ATOM 1293 CG TYR A 76 -0.544 7.994 8.563 1.00 13.01 C ATOM 1294 CD1 TYR A 76 -0.959 7.322 7.414 1.00 65.34 C ATOM 1295 CD2 TYR A 76 -1.065 7.546 9.783 1.00 15.33 C ATOM 1296 CE1 TYR A 76 -1.844 6.266 7.481 1.00 52.34 C ATOM 1297 CE2 TYR A 76 -1.944 6.485 9.849 1.00 52.33 C ATOM 1298 CZ TYR A 76 -2.334 5.852 8.700 1.00 71.43 C ATOM 1299 OH TYR A 76 -3.219 4.797 8.766 1.00 44.31 O ATOM 0 H TYR A 76 -1.882 10.329 7.073 1.00 33.43 H new ATOM 0 HA TYR A 76 0.865 11.140 7.765 1.00 52.11 H new ATOM 0 HB2 TYR A 76 1.446 8.752 8.286 1.00 32.23 H new ATOM 0 HB3 TYR A 76 0.524 9.596 9.514 1.00 32.23 H new ATOM 0 HD1 TYR A 76 -0.580 7.635 6.452 1.00 65.34 H new ATOM 0 HD2 TYR A 76 -0.771 8.044 10.695 1.00 15.33 H new ATOM 0 HE1 TYR A 76 -2.153 5.763 6.577 1.00 52.34 H new ATOM 0 HE2 TYR A 76 -2.323 6.155 10.805 1.00 52.33 H new ATOM 0 HH TYR A 76 -3.211 4.310 7.916 1.00 44.31 H new ATOM 1309 N LYS A 77 1.769 9.619 5.793 1.00 65.31 N ATOM 1310 CA LYS A 77 2.258 9.261 4.455 1.00 55.30 C ATOM 1311 C LYS A 77 1.865 7.816 4.104 1.00 2.30 C ATOM 1312 O LYS A 77 2.119 6.890 4.882 1.00 73.30 O ATOM 1313 CB LYS A 77 3.798 9.422 4.386 1.00 12.55 C ATOM 1314 CG LYS A 77 4.414 9.188 2.987 1.00 44.14 C ATOM 1315 CD LYS A 77 4.081 10.303 1.971 1.00 45.03 C ATOM 1316 CE LYS A 77 4.615 9.978 0.570 1.00 53.35 C ATOM 1317 NZ LYS A 77 4.354 11.054 -0.419 1.00 15.33 N ATOM 0 H LYS A 77 2.498 9.618 6.507 1.00 65.31 H new ATOM 0 HA LYS A 77 1.798 9.933 3.730 1.00 55.30 H new ATOM 0 HB2 LYS A 77 4.059 10.427 4.719 1.00 12.55 H new ATOM 0 HB3 LYS A 77 4.254 8.725 5.089 1.00 12.55 H new ATOM 0 HG2 LYS A 77 5.497 9.108 3.085 1.00 44.14 H new ATOM 0 HG3 LYS A 77 4.058 8.234 2.597 1.00 44.14 H new ATOM 0 HD2 LYS A 77 3.001 10.441 1.925 1.00 45.03 H new ATOM 0 HD3 LYS A 77 4.509 11.245 2.313 1.00 45.03 H new ATOM 0 HE2 LYS A 77 5.689 9.801 0.630 1.00 53.35 H new ATOM 0 HE3 LYS A 77 4.158 9.053 0.220 1.00 53.35 H new ATOM 0 HZ1 LYS A 77 4.944 10.902 -1.262 1.00 15.33 H new ATOM 0 HZ2 LYS A 77 3.351 11.039 -0.692 1.00 15.33 H new ATOM 0 HZ3 LYS A 77 4.584 11.976 0.003 1.00 15.33 H new ATOM 1331 N VAL A 78 1.220 7.648 2.939 1.00 70.23 N ATOM 1332 CA VAL A 78 0.892 6.333 2.366 1.00 14.44 C ATOM 1333 C VAL A 78 1.521 6.223 0.970 1.00 40.15 C ATOM 1334 O VAL A 78 1.430 7.160 0.160 1.00 74.00 O ATOM 1335 CB VAL A 78 -0.665 6.099 2.270 1.00 33.11 C ATOM 1336 CG1 VAL A 78 -1.004 4.709 1.676 1.00 12.23 C ATOM 1337 CG2 VAL A 78 -1.339 6.290 3.648 1.00 53.12 C ATOM 0 H VAL A 78 0.908 8.429 2.362 1.00 70.23 H new ATOM 0 HA VAL A 78 1.295 5.566 3.027 1.00 14.44 H new ATOM 0 HB VAL A 78 -1.064 6.849 1.587 1.00 33.11 H new ATOM 0 HG11 VAL A 78 -2.086 4.588 1.627 1.00 12.23 H new ATOM 0 HG12 VAL A 78 -0.584 4.630 0.673 1.00 12.23 H new ATOM 0 HG13 VAL A 78 -0.580 3.930 2.309 1.00 12.23 H new ATOM 0 HG21 VAL A 78 -2.412 6.123 3.554 1.00 53.12 H new ATOM 0 HG22 VAL A 78 -0.922 5.577 4.359 1.00 53.12 H new ATOM 0 HG23 VAL A 78 -1.159 7.305 4.003 1.00 53.12 H new ATOM 1347 N PHE A 79 2.176 5.091 0.719 1.00 25.42 N ATOM 1348 CA PHE A 79 2.762 4.749 -0.578 1.00 43.44 C ATOM 1349 C PHE A 79 1.941 3.602 -1.168 1.00 61.02 C ATOM 1350 O PHE A 79 2.048 2.476 -0.695 1.00 41.22 O ATOM 1351 CB PHE A 79 4.218 4.284 -0.381 1.00 11.14 C ATOM 1352 CG PHE A 79 5.160 5.311 0.226 1.00 22.21 C ATOM 1353 CD1 PHE A 79 5.746 6.280 -0.573 1.00 15.42 C ATOM 1354 CD2 PHE A 79 5.485 5.292 1.585 1.00 34.43 C ATOM 1355 CE1 PHE A 79 6.626 7.189 -0.042 1.00 23.43 C ATOM 1356 CE2 PHE A 79 6.362 6.209 2.114 1.00 44.20 C ATOM 1357 CZ PHE A 79 6.933 7.157 1.300 1.00 51.31 C ATOM 0 H PHE A 79 2.318 4.370 1.426 1.00 25.42 H new ATOM 0 HA PHE A 79 2.754 5.614 -1.242 1.00 43.44 H new ATOM 0 HB2 PHE A 79 4.215 3.399 0.256 1.00 11.14 H new ATOM 0 HB3 PHE A 79 4.617 3.979 -1.348 1.00 11.14 H new ATOM 0 HD1 PHE A 79 5.507 6.320 -1.626 1.00 15.42 H new ATOM 0 HD2 PHE A 79 5.041 4.547 2.228 1.00 34.43 H new ATOM 0 HE1 PHE A 79 7.080 7.933 -0.680 1.00 23.43 H new ATOM 0 HE2 PHE A 79 6.601 6.184 3.167 1.00 44.20 H new ATOM 0 HZ PHE A 79 7.623 7.878 1.713 1.00 51.31 H new ATOM 1367 N LEU A 80 1.136 3.864 -2.193 1.00 64.15 N ATOM 1368 CA LEU A 80 0.207 2.866 -2.738 1.00 25.11 C ATOM 1369 C LEU A 80 0.689 2.350 -4.101 1.00 45.14 C ATOM 1370 O LEU A 80 1.037 3.125 -4.985 1.00 4.23 O ATOM 1371 CB LEU A 80 -1.227 3.446 -2.825 1.00 50.12 C ATOM 1372 CG LEU A 80 -2.304 2.518 -3.486 1.00 73.40 C ATOM 1373 CD1 LEU A 80 -2.305 1.107 -2.866 1.00 1.22 C ATOM 1374 CD2 LEU A 80 -3.704 3.158 -3.425 1.00 64.14 C ATOM 0 H LEU A 80 1.105 4.765 -2.670 1.00 64.15 H new ATOM 0 HA LEU A 80 0.182 2.014 -2.058 1.00 25.11 H new ATOM 0 HB2 LEU A 80 -1.559 3.694 -1.817 1.00 50.12 H new ATOM 0 HB3 LEU A 80 -1.187 4.380 -3.386 1.00 50.12 H new ATOM 0 HG LEU A 80 -2.033 2.406 -4.536 1.00 73.40 H new ATOM 0 HD11 LEU A 80 -3.066 0.496 -3.352 1.00 1.22 H new ATOM 0 HD12 LEU A 80 -1.327 0.647 -3.006 1.00 1.22 H new ATOM 0 HD13 LEU A 80 -2.524 1.178 -1.800 1.00 1.22 H new ATOM 0 HD21 LEU A 80 -4.429 2.491 -3.891 1.00 64.14 H new ATOM 0 HD22 LEU A 80 -3.982 3.327 -2.385 1.00 64.14 H new ATOM 0 HD23 LEU A 80 -3.692 4.110 -3.956 1.00 64.14 H new ATOM 1386 N LEU A 81 0.706 1.020 -4.241 1.00 22.24 N ATOM 1387 CA LEU A 81 1.035 0.333 -5.490 1.00 3.30 C ATOM 1388 C LEU A 81 -0.162 -0.512 -5.940 1.00 51.02 C ATOM 1389 O LEU A 81 -0.774 -1.215 -5.133 1.00 71.30 O ATOM 1390 CB LEU A 81 2.293 -0.547 -5.311 1.00 13.54 C ATOM 1391 CG LEU A 81 2.760 -1.346 -6.571 1.00 62.43 C ATOM 1392 CD1 LEU A 81 2.935 -0.416 -7.789 1.00 32.00 C ATOM 1393 CD2 LEU A 81 4.049 -2.139 -6.273 1.00 30.00 C ATOM 0 H LEU A 81 0.488 0.382 -3.476 1.00 22.24 H new ATOM 0 HA LEU A 81 1.253 1.074 -6.259 1.00 3.30 H new ATOM 0 HB2 LEU A 81 3.115 0.091 -4.986 1.00 13.54 H new ATOM 0 HB3 LEU A 81 2.103 -1.257 -4.506 1.00 13.54 H new ATOM 0 HG LEU A 81 1.980 -2.065 -6.822 1.00 62.43 H new ATOM 0 HD11 LEU A 81 3.260 -1.001 -8.649 1.00 32.00 H new ATOM 0 HD12 LEU A 81 1.985 0.068 -8.017 1.00 32.00 H new ATOM 0 HD13 LEU A 81 3.683 0.343 -7.562 1.00 32.00 H new ATOM 0 HD21 LEU A 81 4.354 -2.686 -7.165 1.00 30.00 H new ATOM 0 HD22 LEU A 81 4.841 -1.449 -5.982 1.00 30.00 H new ATOM 0 HD23 LEU A 81 3.864 -2.842 -5.461 1.00 30.00 H new ATOM 1405 N LEU A 82 -0.483 -0.414 -7.235 1.00 21.41 N ATOM 1406 CA LEU A 82 -1.603 -1.124 -7.866 1.00 5.23 C ATOM 1407 C LEU A 82 -1.054 -2.048 -8.971 1.00 51.13 C ATOM 1408 O LEU A 82 -0.824 -1.594 -10.095 1.00 64.20 O ATOM 1409 CB LEU A 82 -2.593 -0.077 -8.447 1.00 21.01 C ATOM 1410 CG LEU A 82 -3.203 0.934 -7.425 1.00 70.12 C ATOM 1411 CD1 LEU A 82 -4.003 2.033 -8.147 1.00 53.34 C ATOM 1412 CD2 LEU A 82 -4.064 0.208 -6.363 1.00 4.24 C ATOM 0 H LEU A 82 0.038 0.172 -7.887 1.00 21.41 H new ATOM 0 HA LEU A 82 -2.133 -1.738 -7.138 1.00 5.23 H new ATOM 0 HB2 LEU A 82 -2.077 0.489 -9.223 1.00 21.01 H new ATOM 0 HB3 LEU A 82 -3.411 -0.610 -8.932 1.00 21.01 H new ATOM 0 HG LEU A 82 -2.380 1.417 -6.899 1.00 70.12 H new ATOM 0 HD11 LEU A 82 -4.417 2.724 -7.412 1.00 53.34 H new ATOM 0 HD12 LEU A 82 -3.345 2.576 -8.825 1.00 53.34 H new ATOM 0 HD13 LEU A 82 -4.814 1.578 -8.715 1.00 53.34 H new ATOM 0 HD21 LEU A 82 -4.475 0.939 -5.666 1.00 4.24 H new ATOM 0 HD22 LEU A 82 -4.879 -0.322 -6.856 1.00 4.24 H new ATOM 0 HD23 LEU A 82 -3.445 -0.505 -5.818 1.00 4.24 H new ATOM 1424 N ALA A 83 -0.800 -3.328 -8.635 1.00 31.01 N ATOM 1425 CA ALA A 83 -0.183 -4.298 -9.567 1.00 5.21 C ATOM 1426 C ALA A 83 -1.200 -5.351 -10.061 1.00 73.41 C ATOM 1427 O ALA A 83 -1.659 -6.199 -9.280 1.00 22.23 O ATOM 1428 CB ALA A 83 1.015 -4.978 -8.883 1.00 13.13 C ATOM 0 H ALA A 83 -1.014 -3.719 -7.717 1.00 31.01 H new ATOM 0 HA ALA A 83 0.162 -3.753 -10.446 1.00 5.21 H new ATOM 0 HB1 ALA A 83 1.469 -5.692 -9.570 1.00 13.13 H new ATOM 0 HB2 ALA A 83 1.751 -4.224 -8.605 1.00 13.13 H new ATOM 0 HB3 ALA A 83 0.675 -5.500 -7.989 1.00 13.13 H new ATOM 1434 N ASP A 84 -1.552 -5.280 -11.359 1.00 22.31 N ATOM 1435 CA ASP A 84 -2.397 -6.295 -12.034 1.00 15.33 C ATOM 1436 C ASP A 84 -2.323 -6.132 -13.567 1.00 74.33 C ATOM 1437 O ASP A 84 -2.000 -5.048 -14.066 1.00 61.30 O ATOM 1438 CB ASP A 84 -3.878 -6.229 -11.537 1.00 53.31 C ATOM 1439 CG ASP A 84 -4.835 -7.183 -12.282 1.00 40.55 C ATOM 1440 OD1 ASP A 84 -4.589 -8.416 -12.288 1.00 73.01 O ATOM 1441 OD2 ASP A 84 -5.810 -6.715 -12.897 1.00 61.21 O ATOM 0 H ASP A 84 -1.261 -4.519 -11.973 1.00 22.31 H new ATOM 0 HA ASP A 84 -2.007 -7.279 -11.773 1.00 15.33 H new ATOM 0 HB2 ASP A 84 -3.904 -6.464 -10.473 1.00 53.31 H new ATOM 0 HB3 ASP A 84 -4.242 -5.207 -11.647 1.00 53.31 H new ATOM 1446 N GLN A 85 -2.624 -7.241 -14.284 1.00 65.33 N ATOM 1447 CA GLN A 85 -2.639 -7.318 -15.755 1.00 43.35 C ATOM 1448 C GLN A 85 -3.618 -6.298 -16.371 1.00 54.25 C ATOM 1449 O GLN A 85 -3.299 -5.668 -17.389 1.00 22.21 O ATOM 1450 CB GLN A 85 -2.973 -8.764 -16.202 1.00 52.54 C ATOM 1451 CG GLN A 85 -1.917 -9.807 -15.764 1.00 33.31 C ATOM 1452 CD GLN A 85 -2.284 -11.259 -16.098 1.00 32.31 C ATOM 1453 OE1 GLN A 85 -3.456 -11.636 -16.132 1.00 22.12 O ATOM 1454 NE2 GLN A 85 -1.286 -12.090 -16.338 1.00 35.41 N ATOM 0 H GLN A 85 -2.868 -8.126 -13.839 1.00 65.33 H new ATOM 0 HA GLN A 85 -1.646 -7.059 -16.122 1.00 43.35 H new ATOM 0 HB2 GLN A 85 -3.943 -9.047 -15.793 1.00 52.54 H new ATOM 0 HB3 GLN A 85 -3.066 -8.787 -17.288 1.00 52.54 H new ATOM 0 HG2 GLN A 85 -0.967 -9.566 -16.241 1.00 33.31 H new ATOM 0 HG3 GLN A 85 -1.764 -9.722 -14.688 1.00 33.31 H new ATOM 0 HE21 GLN A 85 -0.323 -11.754 -16.304 1.00 35.41 H new ATOM 0 HE22 GLN A 85 -1.478 -13.067 -16.557 1.00 35.41 H new ATOM 1463 N ASP A 86 -4.810 -6.138 -15.755 1.00 31.44 N ATOM 1464 CA ASP A 86 -5.723 -5.036 -16.113 1.00 31.21 C ATOM 1465 C ASP A 86 -5.215 -3.752 -15.450 1.00 70.31 C ATOM 1466 O ASP A 86 -5.370 -3.549 -14.238 1.00 22.03 O ATOM 1467 CB ASP A 86 -7.200 -5.293 -15.708 1.00 71.25 C ATOM 1468 CG ASP A 86 -8.132 -4.128 -16.150 1.00 24.25 C ATOM 1469 OD1 ASP A 86 -8.518 -4.088 -17.336 1.00 73.20 O ATOM 1470 OD2 ASP A 86 -8.460 -3.242 -15.330 1.00 71.03 O ATOM 0 H ASP A 86 -5.157 -6.751 -15.017 1.00 31.44 H new ATOM 0 HA ASP A 86 -5.722 -4.950 -17.200 1.00 31.21 H new ATOM 0 HB2 ASP A 86 -7.544 -6.224 -16.159 1.00 71.25 H new ATOM 0 HB3 ASP A 86 -7.264 -5.419 -14.627 1.00 71.25 H new ATOM 1475 N GLU A 87 -4.558 -2.924 -16.257 1.00 72.34 N ATOM 1476 CA GLU A 87 -4.039 -1.622 -15.835 1.00 14.50 C ATOM 1477 C GLU A 87 -5.132 -0.534 -15.903 1.00 52.03 C ATOM 1478 O GLU A 87 -4.972 0.524 -15.298 1.00 75.50 O ATOM 1479 CB GLU A 87 -2.833 -1.226 -16.721 1.00 60.45 C ATOM 1480 CG GLU A 87 -3.167 -0.992 -18.211 1.00 72.03 C ATOM 1481 CD GLU A 87 -1.992 -0.404 -19.004 1.00 62.24 C ATOM 1482 OE1 GLU A 87 -1.602 0.752 -18.720 1.00 44.13 O ATOM 1483 OE2 GLU A 87 -1.453 -1.079 -19.908 1.00 54.20 O ATOM 0 H GLU A 87 -4.367 -3.139 -17.236 1.00 72.34 H new ATOM 0 HA GLU A 87 -3.714 -1.704 -14.798 1.00 14.50 H new ATOM 0 HB2 GLU A 87 -2.387 -0.317 -16.317 1.00 60.45 H new ATOM 0 HB3 GLU A 87 -2.078 -2.009 -16.652 1.00 60.45 H new ATOM 0 HG2 GLU A 87 -3.466 -1.937 -18.663 1.00 72.03 H new ATOM 0 HG3 GLU A 87 -4.021 -0.319 -18.285 1.00 72.03 H new ATOM 1490 N ASN A 88 -6.240 -0.830 -16.625 1.00 32.13 N ATOM 1491 CA ASN A 88 -7.282 0.155 -17.003 1.00 24.24 C ATOM 1492 C ASN A 88 -7.996 0.764 -15.772 1.00 63.32 C ATOM 1493 O ASN A 88 -7.995 1.988 -15.589 1.00 75.51 O ATOM 1494 CB ASN A 88 -8.306 -0.523 -17.955 1.00 70.01 C ATOM 1495 CG ASN A 88 -9.419 0.417 -18.446 1.00 51.52 C ATOM 1496 OD1 ASN A 88 -10.477 0.528 -17.825 1.00 23.22 O ATOM 1497 ND2 ASN A 88 -9.187 1.111 -19.554 1.00 71.41 N ATOM 0 H ASN A 88 -6.437 -1.771 -16.965 1.00 32.13 H new ATOM 0 HA ASN A 88 -6.793 0.983 -17.516 1.00 24.24 H new ATOM 0 HB2 ASN A 88 -7.775 -0.923 -18.819 1.00 70.01 H new ATOM 0 HB3 ASN A 88 -8.760 -1.370 -17.440 1.00 70.01 H new ATOM 0 HD21 ASN A 88 -9.894 1.755 -19.910 1.00 71.41 H new ATOM 0 HD22 ASN A 88 -8.302 1.000 -20.049 1.00 71.41 H new ATOM 1504 N GLU A 89 -8.593 -0.106 -14.941 1.00 3.11 N ATOM 1505 CA GLU A 89 -9.342 0.310 -13.741 1.00 1.24 C ATOM 1506 C GLU A 89 -8.402 0.924 -12.688 1.00 12.12 C ATOM 1507 O GLU A 89 -8.742 1.924 -12.047 1.00 63.10 O ATOM 1508 CB GLU A 89 -10.097 -0.900 -13.151 1.00 43.05 C ATOM 1509 CG GLU A 89 -11.015 -0.561 -11.966 1.00 14.50 C ATOM 1510 CD GLU A 89 -11.618 -1.797 -11.301 1.00 60.13 C ATOM 1511 OE1 GLU A 89 -10.916 -2.431 -10.494 1.00 45.32 O ATOM 1512 OE2 GLU A 89 -12.799 -2.129 -11.554 1.00 50.21 O ATOM 0 H GLU A 89 -8.571 -1.116 -15.081 1.00 3.11 H new ATOM 0 HA GLU A 89 -10.063 1.074 -14.030 1.00 1.24 H new ATOM 0 HB2 GLU A 89 -10.695 -1.358 -13.938 1.00 43.05 H new ATOM 0 HB3 GLU A 89 -9.369 -1.645 -12.829 1.00 43.05 H new ATOM 0 HG2 GLU A 89 -10.448 0.003 -11.225 1.00 14.50 H new ATOM 0 HG3 GLU A 89 -11.820 0.087 -12.312 1.00 14.50 H new ATOM 1519 N LEU A 90 -7.210 0.316 -12.549 1.00 72.11 N ATOM 1520 CA LEU A 90 -6.164 0.777 -11.619 1.00 64.41 C ATOM 1521 C LEU A 90 -5.624 2.171 -12.023 1.00 52.25 C ATOM 1522 O LEU A 90 -5.210 2.958 -11.163 1.00 61.31 O ATOM 1523 CB LEU A 90 -4.997 -0.245 -11.568 1.00 34.14 C ATOM 1524 CG LEU A 90 -5.321 -1.667 -11.016 1.00 62.53 C ATOM 1525 CD1 LEU A 90 -4.083 -2.585 -11.097 1.00 24.22 C ATOM 1526 CD2 LEU A 90 -5.882 -1.604 -9.575 1.00 72.51 C ATOM 0 H LEU A 90 -6.944 -0.513 -13.081 1.00 72.11 H new ATOM 0 HA LEU A 90 -6.614 0.859 -10.630 1.00 64.41 H new ATOM 0 HB2 LEU A 90 -4.601 -0.356 -12.577 1.00 34.14 H new ATOM 0 HB3 LEU A 90 -4.201 0.181 -10.958 1.00 34.14 H new ATOM 0 HG LEU A 90 -6.099 -2.097 -11.647 1.00 62.53 H new ATOM 0 HD11 LEU A 90 -4.335 -3.571 -10.706 1.00 24.22 H new ATOM 0 HD12 LEU A 90 -3.765 -2.677 -12.136 1.00 24.22 H new ATOM 0 HD13 LEU A 90 -3.273 -2.157 -10.507 1.00 24.22 H new ATOM 0 HD21 LEU A 90 -6.096 -2.613 -9.223 1.00 72.51 H new ATOM 0 HD22 LEU A 90 -5.147 -1.139 -8.918 1.00 72.51 H new ATOM 0 HD23 LEU A 90 -6.799 -1.015 -9.567 1.00 72.51 H new ATOM 1538 N GLU A 91 -5.638 2.448 -13.348 1.00 55.02 N ATOM 1539 CA GLU A 91 -5.198 3.737 -13.926 1.00 21.54 C ATOM 1540 C GLU A 91 -6.078 4.879 -13.408 1.00 43.32 C ATOM 1541 O GLU A 91 -5.600 5.983 -13.150 1.00 31.24 O ATOM 1542 CB GLU A 91 -5.264 3.689 -15.480 1.00 62.44 C ATOM 1543 CG GLU A 91 -4.742 4.945 -16.213 1.00 13.51 C ATOM 1544 CD GLU A 91 -3.222 5.142 -16.087 1.00 53.33 C ATOM 1545 OE1 GLU A 91 -2.754 5.676 -15.057 1.00 3.14 O ATOM 1546 OE2 GLU A 91 -2.476 4.743 -17.013 1.00 64.44 O ATOM 0 H GLU A 91 -5.957 1.779 -14.049 1.00 55.02 H new ATOM 0 HA GLU A 91 -4.166 3.914 -13.622 1.00 21.54 H new ATOM 0 HB2 GLU A 91 -4.692 2.827 -15.823 1.00 62.44 H new ATOM 0 HB3 GLU A 91 -6.300 3.522 -15.776 1.00 62.44 H new ATOM 0 HG2 GLU A 91 -5.005 4.875 -17.269 1.00 13.51 H new ATOM 0 HG3 GLU A 91 -5.248 5.825 -15.816 1.00 13.51 H new ATOM 1553 N GLU A 92 -7.373 4.570 -13.261 1.00 74.41 N ATOM 1554 CA GLU A 92 -8.367 5.502 -12.736 1.00 10.33 C ATOM 1555 C GLU A 92 -8.240 5.598 -11.202 1.00 1.31 C ATOM 1556 O GLU A 92 -8.225 6.698 -10.658 1.00 21.23 O ATOM 1557 CB GLU A 92 -9.776 5.030 -13.158 1.00 12.44 C ATOM 1558 CG GLU A 92 -9.963 4.909 -14.688 1.00 15.01 C ATOM 1559 CD GLU A 92 -11.300 4.257 -15.067 1.00 43.42 C ATOM 1560 OE1 GLU A 92 -11.376 3.011 -15.102 1.00 41.01 O ATOM 1561 OE2 GLU A 92 -12.289 4.985 -15.311 1.00 64.43 O ATOM 0 H GLU A 92 -7.758 3.658 -13.506 1.00 74.41 H new ATOM 0 HA GLU A 92 -8.199 6.498 -13.145 1.00 10.33 H new ATOM 0 HB2 GLU A 92 -9.977 4.062 -12.699 1.00 12.44 H new ATOM 0 HB3 GLU A 92 -10.515 5.728 -12.765 1.00 12.44 H new ATOM 0 HG2 GLU A 92 -9.906 5.900 -15.137 1.00 15.01 H new ATOM 0 HG3 GLU A 92 -9.145 4.322 -15.105 1.00 15.01 H new ATOM 1568 N PHE A 93 -8.092 4.422 -10.539 1.00 13.22 N ATOM 1569 CA PHE A 93 -8.010 4.288 -9.061 1.00 32.33 C ATOM 1570 C PHE A 93 -6.928 5.219 -8.476 1.00 12.44 C ATOM 1571 O PHE A 93 -7.194 5.972 -7.528 1.00 31.11 O ATOM 1572 CB PHE A 93 -7.717 2.798 -8.679 1.00 23.33 C ATOM 1573 CG PHE A 93 -7.870 2.431 -7.191 1.00 2.12 C ATOM 1574 CD1 PHE A 93 -6.891 2.755 -6.245 1.00 41.11 C ATOM 1575 CD2 PHE A 93 -8.986 1.728 -6.741 1.00 13.23 C ATOM 1576 CE1 PHE A 93 -7.031 2.395 -4.915 1.00 72.20 C ATOM 1577 CE2 PHE A 93 -9.118 1.365 -5.415 1.00 61.24 C ATOM 1578 CZ PHE A 93 -8.142 1.699 -4.504 1.00 50.31 C ATOM 0 H PHE A 93 -8.025 3.527 -11.024 1.00 13.22 H new ATOM 0 HA PHE A 93 -8.968 4.585 -8.634 1.00 32.33 H new ATOM 0 HB2 PHE A 93 -8.383 2.159 -9.259 1.00 23.33 H new ATOM 0 HB3 PHE A 93 -6.699 2.560 -8.987 1.00 23.33 H new ATOM 0 HD1 PHE A 93 -6.010 3.296 -6.558 1.00 41.11 H new ATOM 0 HD2 PHE A 93 -9.763 1.462 -7.443 1.00 13.23 H new ATOM 0 HE1 PHE A 93 -6.266 2.662 -4.200 1.00 72.20 H new ATOM 0 HE2 PHE A 93 -9.991 0.817 -5.092 1.00 61.24 H new ATOM 0 HZ PHE A 93 -8.249 1.414 -3.468 1.00 50.31 H new ATOM 1588 N LYS A 94 -5.726 5.179 -9.091 1.00 71.33 N ATOM 1589 CA LYS A 94 -4.552 5.945 -8.625 1.00 2.43 C ATOM 1590 C LYS A 94 -4.802 7.466 -8.664 1.00 12.44 C ATOM 1591 O LYS A 94 -4.263 8.202 -7.843 1.00 34.15 O ATOM 1592 CB LYS A 94 -3.285 5.599 -9.469 1.00 23.02 C ATOM 1593 CG LYS A 94 -3.250 6.209 -10.898 1.00 5.13 C ATOM 1594 CD LYS A 94 -1.896 6.037 -11.623 1.00 44.25 C ATOM 1595 CE LYS A 94 -0.697 6.585 -10.819 1.00 13.42 C ATOM 1596 NZ LYS A 94 -0.820 8.033 -10.504 1.00 12.21 N ATOM 0 H LYS A 94 -5.544 4.616 -9.922 1.00 71.33 H new ATOM 0 HA LYS A 94 -4.381 5.655 -7.588 1.00 2.43 H new ATOM 0 HB2 LYS A 94 -2.403 5.938 -8.926 1.00 23.02 H new ATOM 0 HB3 LYS A 94 -3.210 4.515 -9.553 1.00 23.02 H new ATOM 0 HG2 LYS A 94 -4.033 5.746 -11.499 1.00 5.13 H new ATOM 0 HG3 LYS A 94 -3.484 7.272 -10.834 1.00 5.13 H new ATOM 0 HD2 LYS A 94 -1.734 4.979 -11.828 1.00 44.25 H new ATOM 0 HD3 LYS A 94 -1.941 6.545 -12.586 1.00 44.25 H new ATOM 0 HE2 LYS A 94 -0.603 6.024 -9.889 1.00 13.42 H new ATOM 0 HE3 LYS A 94 0.219 6.419 -11.385 1.00 13.42 H new ATOM 0 HZ1 LYS A 94 -0.038 8.553 -10.951 1.00 12.21 H new ATOM 0 HZ2 LYS A 94 -1.726 8.392 -10.867 1.00 12.21 H new ATOM 0 HZ3 LYS A 94 -0.782 8.169 -9.474 1.00 12.21 H new ATOM 1610 N ARG A 95 -5.630 7.915 -9.629 1.00 31.43 N ATOM 1611 CA ARG A 95 -5.919 9.348 -9.856 1.00 54.11 C ATOM 1612 C ARG A 95 -6.708 9.959 -8.694 1.00 52.41 C ATOM 1613 O ARG A 95 -6.504 11.125 -8.342 1.00 3.33 O ATOM 1614 CB ARG A 95 -6.698 9.525 -11.183 1.00 61.23 C ATOM 1615 CG ARG A 95 -5.886 9.104 -12.421 1.00 31.25 C ATOM 1616 CD ARG A 95 -6.683 9.176 -13.726 1.00 15.23 C ATOM 1617 NE ARG A 95 -5.826 8.877 -14.886 1.00 5.20 N ATOM 1618 CZ ARG A 95 -6.257 8.448 -16.084 1.00 63.34 C ATOM 1619 NH1 ARG A 95 -7.555 8.248 -16.306 1.00 51.04 N ATOM 1620 NH2 ARG A 95 -5.368 8.234 -17.052 1.00 43.12 N ATOM 0 H ARG A 95 -6.118 7.294 -10.274 1.00 31.43 H new ATOM 0 HA ARG A 95 -4.967 9.875 -9.920 1.00 54.11 H new ATOM 0 HB2 ARG A 95 -7.615 8.937 -11.140 1.00 61.23 H new ATOM 0 HB3 ARG A 95 -6.993 10.569 -11.287 1.00 61.23 H new ATOM 0 HG2 ARG A 95 -5.008 9.744 -12.505 1.00 31.25 H new ATOM 0 HG3 ARG A 95 -5.525 8.085 -12.280 1.00 31.25 H new ATOM 0 HD2 ARG A 95 -7.511 8.469 -13.690 1.00 15.23 H new ATOM 0 HD3 ARG A 95 -7.117 10.170 -13.837 1.00 15.23 H new ATOM 0 HE ARG A 95 -4.821 9.007 -14.770 1.00 5.20 H new ATOM 0 HH11 ARG A 95 -8.232 8.421 -15.563 1.00 51.04 H new ATOM 0 HH12 ARG A 95 -7.872 7.922 -17.219 1.00 51.04 H new ATOM 0 HH21 ARG A 95 -4.376 8.396 -16.878 1.00 43.12 H new ATOM 0 HH22 ARG A 95 -5.679 7.908 -17.967 1.00 43.12 H new ATOM 1634 N LYS A 96 -7.601 9.143 -8.109 1.00 61.24 N ATOM 1635 CA LYS A 96 -8.380 9.522 -6.924 1.00 72.12 C ATOM 1636 C LYS A 96 -7.421 9.719 -5.738 1.00 44.44 C ATOM 1637 O LYS A 96 -7.370 10.798 -5.145 1.00 40.20 O ATOM 1638 CB LYS A 96 -9.461 8.440 -6.577 1.00 34.22 C ATOM 1639 CG LYS A 96 -10.710 8.376 -7.505 1.00 22.23 C ATOM 1640 CD LYS A 96 -10.386 7.986 -8.960 1.00 51.11 C ATOM 1641 CE LYS A 96 -11.628 7.837 -9.854 1.00 0.41 C ATOM 1642 NZ LYS A 96 -12.422 9.093 -9.936 1.00 44.21 N ATOM 0 H LYS A 96 -7.801 8.202 -8.447 1.00 61.24 H new ATOM 0 HA LYS A 96 -8.908 10.452 -7.134 1.00 72.12 H new ATOM 0 HB2 LYS A 96 -8.979 7.462 -6.587 1.00 34.22 H new ATOM 0 HB3 LYS A 96 -9.803 8.616 -5.557 1.00 34.22 H new ATOM 0 HG2 LYS A 96 -11.419 7.656 -7.095 1.00 22.23 H new ATOM 0 HG3 LYS A 96 -11.204 9.348 -7.501 1.00 22.23 H new ATOM 0 HD2 LYS A 96 -9.728 8.741 -9.391 1.00 51.11 H new ATOM 0 HD3 LYS A 96 -9.835 7.046 -8.960 1.00 51.11 H new ATOM 0 HE2 LYS A 96 -11.318 7.541 -10.856 1.00 0.41 H new ATOM 0 HE3 LYS A 96 -12.258 7.037 -9.466 1.00 0.41 H new ATOM 0 HZ1 LYS A 96 -13.220 8.957 -10.589 1.00 44.21 H new ATOM 0 HZ2 LYS A 96 -12.785 9.337 -8.992 1.00 44.21 H new ATOM 0 HZ3 LYS A 96 -11.817 9.864 -10.284 1.00 44.21 H new ATOM 1656 N ILE A 97 -6.597 8.685 -5.488 1.00 25.02 N ATOM 1657 CA ILE A 97 -5.720 8.601 -4.306 1.00 42.21 C ATOM 1658 C ILE A 97 -4.637 9.712 -4.336 1.00 62.43 C ATOM 1659 O ILE A 97 -4.301 10.310 -3.305 1.00 21.45 O ATOM 1660 CB ILE A 97 -5.044 7.179 -4.227 1.00 21.42 C ATOM 1661 CG1 ILE A 97 -6.093 6.034 -4.426 1.00 21.30 C ATOM 1662 CG2 ILE A 97 -4.271 6.977 -2.907 1.00 5.21 C ATOM 1663 CD1 ILE A 97 -7.301 6.060 -3.493 1.00 10.52 C ATOM 0 H ILE A 97 -6.521 7.877 -6.106 1.00 25.02 H new ATOM 0 HA ILE A 97 -6.333 8.750 -3.417 1.00 42.21 H new ATOM 0 HB ILE A 97 -4.324 7.131 -5.044 1.00 21.42 H new ATOM 0 HG12 ILE A 97 -6.453 6.073 -5.454 1.00 21.30 H new ATOM 0 HG13 ILE A 97 -5.585 5.078 -4.302 1.00 21.30 H new ATOM 0 HG21 ILE A 97 -3.822 5.984 -2.897 1.00 5.21 H new ATOM 0 HG22 ILE A 97 -3.487 7.730 -2.825 1.00 5.21 H new ATOM 0 HG23 ILE A 97 -4.957 7.074 -2.065 1.00 5.21 H new ATOM 0 HD11 ILE A 97 -7.957 5.221 -3.724 1.00 10.52 H new ATOM 0 HD12 ILE A 97 -6.964 5.983 -2.459 1.00 10.52 H new ATOM 0 HD13 ILE A 97 -7.846 6.994 -3.629 1.00 10.52 H new ATOM 1675 N GLU A 98 -4.133 9.995 -5.552 1.00 52.55 N ATOM 1676 CA GLU A 98 -3.087 11.012 -5.789 1.00 50.22 C ATOM 1677 C GLU A 98 -3.657 12.436 -5.606 1.00 61.30 C ATOM 1678 O GLU A 98 -2.972 13.323 -5.087 1.00 41.35 O ATOM 1679 CB GLU A 98 -2.478 10.837 -7.208 1.00 74.51 C ATOM 1680 CG GLU A 98 -1.202 11.659 -7.466 1.00 73.24 C ATOM 1681 CD GLU A 98 -0.576 11.368 -8.835 1.00 51.35 C ATOM 1682 OE1 GLU A 98 0.096 10.320 -8.979 1.00 74.43 O ATOM 1683 OE2 GLU A 98 -0.759 12.176 -9.777 1.00 52.41 O ATOM 0 H GLU A 98 -4.440 9.523 -6.403 1.00 52.55 H new ATOM 0 HA GLU A 98 -2.294 10.872 -5.054 1.00 50.22 H new ATOM 0 HB2 GLU A 98 -2.252 9.782 -7.364 1.00 74.51 H new ATOM 0 HB3 GLU A 98 -3.229 11.115 -7.948 1.00 74.51 H new ATOM 0 HG2 GLU A 98 -1.439 12.721 -7.398 1.00 73.24 H new ATOM 0 HG3 GLU A 98 -0.473 11.445 -6.685 1.00 73.24 H new ATOM 1690 N SER A 99 -4.931 12.621 -6.009 1.00 22.23 N ATOM 1691 CA SER A 99 -5.649 13.906 -5.867 1.00 52.11 C ATOM 1692 C SER A 99 -6.029 14.158 -4.388 1.00 12.02 C ATOM 1693 O SER A 99 -6.163 15.309 -3.964 1.00 34.21 O ATOM 1694 CB SER A 99 -6.901 13.908 -6.771 1.00 41.01 C ATOM 1695 OG SER A 99 -7.564 15.170 -6.762 1.00 71.22 O ATOM 0 H SER A 99 -5.491 11.886 -6.441 1.00 22.23 H new ATOM 0 HA SER A 99 -4.992 14.717 -6.182 1.00 52.11 H new ATOM 0 HB2 SER A 99 -6.612 13.658 -7.792 1.00 41.01 H new ATOM 0 HB3 SER A 99 -7.591 13.133 -6.436 1.00 41.01 H new ATOM 0 HG SER A 99 -8.349 15.131 -7.347 1.00 71.22 H new ATOM 1701 N GLN A 100 -6.188 13.059 -3.614 1.00 42.04 N ATOM 1702 CA GLN A 100 -6.437 13.112 -2.156 1.00 75.23 C ATOM 1703 C GLN A 100 -5.142 13.448 -1.379 1.00 3.21 C ATOM 1704 O GLN A 100 -5.200 13.722 -0.175 1.00 33.23 O ATOM 1705 CB GLN A 100 -7.042 11.762 -1.667 1.00 41.12 C ATOM 1706 CG GLN A 100 -8.436 11.457 -2.251 1.00 3.53 C ATOM 1707 CD GLN A 100 -8.955 10.047 -1.948 1.00 24.12 C ATOM 1708 OE1 GLN A 100 -8.711 9.107 -2.702 1.00 61.43 O ATOM 1709 NE2 GLN A 100 -9.687 9.891 -0.854 1.00 33.43 N ATOM 0 H GLN A 100 -6.147 12.110 -3.985 1.00 42.04 H new ATOM 0 HA GLN A 100 -7.154 13.909 -1.959 1.00 75.23 H new ATOM 0 HB2 GLN A 100 -6.362 10.953 -1.933 1.00 41.12 H new ATOM 0 HB3 GLN A 100 -7.110 11.778 -0.579 1.00 41.12 H new ATOM 0 HG2 GLN A 100 -9.147 12.185 -1.860 1.00 3.53 H new ATOM 0 HG3 GLN A 100 -8.402 11.594 -3.332 1.00 3.53 H new ATOM 0 HE21 GLN A 100 -9.873 10.689 -0.247 1.00 33.43 H new ATOM 0 HE22 GLN A 100 -10.064 8.973 -0.619 1.00 33.43 H new ATOM 1718 N GLY A 101 -3.984 13.422 -2.082 1.00 73.11 N ATOM 1719 CA GLY A 101 -2.696 13.825 -1.503 1.00 2.35 C ATOM 1720 C GLY A 101 -1.882 12.647 -0.982 1.00 31.34 C ATOM 1721 O GLY A 101 -1.313 12.711 0.118 1.00 61.52 O ATOM 0 H GLY A 101 -3.924 13.123 -3.055 1.00 73.11 H new ATOM 0 HA2 GLY A 101 -2.115 14.355 -2.257 1.00 2.35 H new ATOM 0 HA3 GLY A 101 -2.874 14.525 -0.687 1.00 2.35 H new ATOM 1725 N TYR A 102 -1.838 11.554 -1.761 1.00 5.20 N ATOM 1726 CA TYR A 102 -1.014 10.368 -1.443 1.00 23.42 C ATOM 1727 C TYR A 102 -0.093 10.042 -2.624 1.00 23.32 C ATOM 1728 O TYR A 102 -0.395 10.401 -3.771 1.00 65.53 O ATOM 1729 CB TYR A 102 -1.900 9.139 -1.122 1.00 0.30 C ATOM 1730 CG TYR A 102 -2.886 9.333 0.046 1.00 73.44 C ATOM 1731 CD1 TYR A 102 -2.454 9.294 1.377 1.00 31.32 C ATOM 1732 CD2 TYR A 102 -4.250 9.552 -0.179 1.00 40.25 C ATOM 1733 CE1 TYR A 102 -3.342 9.462 2.425 1.00 71.31 C ATOM 1734 CE2 TYR A 102 -5.133 9.718 0.868 1.00 61.42 C ATOM 1735 CZ TYR A 102 -4.680 9.672 2.164 1.00 13.41 C ATOM 1736 OH TYR A 102 -5.570 9.840 3.206 1.00 3.31 O ATOM 0 H TYR A 102 -2.369 11.464 -2.627 1.00 5.20 H new ATOM 0 HA TYR A 102 -0.416 10.599 -0.562 1.00 23.42 H new ATOM 0 HB2 TYR A 102 -2.466 8.875 -2.015 1.00 0.30 H new ATOM 0 HB3 TYR A 102 -1.252 8.293 -0.894 1.00 0.30 H new ATOM 0 HD1 TYR A 102 -1.408 9.130 1.590 1.00 31.32 H new ATOM 0 HD2 TYR A 102 -4.619 9.592 -1.193 1.00 40.25 H new ATOM 0 HE1 TYR A 102 -2.988 9.429 3.445 1.00 71.31 H new ATOM 0 HE2 TYR A 102 -6.181 9.884 0.668 1.00 61.42 H new ATOM 0 HH TYR A 102 -6.299 9.191 3.121 1.00 3.31 H new ATOM 1746 N GLU A 103 1.027 9.368 -2.334 1.00 73.11 N ATOM 1747 CA GLU A 103 1.969 8.920 -3.363 1.00 44.31 C ATOM 1748 C GLU A 103 1.546 7.526 -3.830 1.00 61.30 C ATOM 1749 O GLU A 103 1.636 6.568 -3.068 1.00 42.33 O ATOM 1750 CB GLU A 103 3.416 8.914 -2.813 1.00 20.04 C ATOM 1751 CG GLU A 103 4.499 8.549 -3.850 1.00 42.01 C ATOM 1752 CD GLU A 103 5.945 8.708 -3.335 1.00 44.14 C ATOM 1753 OE1 GLU A 103 6.259 9.759 -2.718 1.00 5.12 O ATOM 1754 OE2 GLU A 103 6.778 7.796 -3.565 1.00 62.20 O ATOM 0 H GLU A 103 1.303 9.120 -1.384 1.00 73.11 H new ATOM 0 HA GLU A 103 1.952 9.606 -4.210 1.00 44.31 H new ATOM 0 HB2 GLU A 103 3.640 9.900 -2.406 1.00 20.04 H new ATOM 0 HB3 GLU A 103 3.472 8.207 -1.985 1.00 20.04 H new ATOM 0 HG2 GLU A 103 4.349 7.517 -4.167 1.00 42.01 H new ATOM 0 HG3 GLU A 103 4.368 9.176 -4.732 1.00 42.01 H new ATOM 1761 N VAL A 104 1.061 7.432 -5.076 1.00 53.43 N ATOM 1762 CA VAL A 104 0.521 6.187 -5.637 1.00 70.21 C ATOM 1763 C VAL A 104 0.983 5.983 -7.088 1.00 64.42 C ATOM 1764 O VAL A 104 0.798 6.855 -7.946 1.00 14.13 O ATOM 1765 CB VAL A 104 -1.054 6.135 -5.550 1.00 53.21 C ATOM 1766 CG1 VAL A 104 -1.701 7.420 -6.096 1.00 34.52 C ATOM 1767 CG2 VAL A 104 -1.627 4.870 -6.249 1.00 14.10 C ATOM 0 H VAL A 104 1.032 8.219 -5.724 1.00 53.43 H new ATOM 0 HA VAL A 104 0.915 5.371 -5.031 1.00 70.21 H new ATOM 0 HB VAL A 104 -1.311 6.068 -4.493 1.00 53.21 H new ATOM 0 HG11 VAL A 104 -2.785 7.343 -6.018 1.00 34.52 H new ATOM 0 HG12 VAL A 104 -1.355 8.276 -5.516 1.00 34.52 H new ATOM 0 HG13 VAL A 104 -1.421 7.553 -7.141 1.00 34.52 H new ATOM 0 HG21 VAL A 104 -2.714 4.870 -6.168 1.00 14.10 H new ATOM 0 HG22 VAL A 104 -1.342 4.875 -7.301 1.00 14.10 H new ATOM 0 HG23 VAL A 104 -1.228 3.977 -5.769 1.00 14.10 H new ATOM 1777 N ARG A 105 1.590 4.816 -7.334 1.00 53.33 N ATOM 1778 CA ARG A 105 1.972 4.344 -8.670 1.00 50.12 C ATOM 1779 C ARG A 105 1.069 3.160 -9.074 1.00 20.23 C ATOM 1780 O ARG A 105 0.467 2.494 -8.217 1.00 20.15 O ATOM 1781 CB ARG A 105 3.464 3.914 -8.681 1.00 53.43 C ATOM 1782 CG ARG A 105 4.498 5.014 -8.304 1.00 21.24 C ATOM 1783 CD ARG A 105 4.861 5.979 -9.456 1.00 31.01 C ATOM 1784 NE ARG A 105 3.738 6.821 -9.918 1.00 22.32 N ATOM 1785 CZ ARG A 105 3.324 7.959 -9.327 1.00 51.10 C ATOM 1786 NH1 ARG A 105 3.920 8.423 -8.231 1.00 31.34 N ATOM 1787 NH2 ARG A 105 2.332 8.653 -9.876 1.00 64.14 N ATOM 0 H ARG A 105 1.835 4.159 -6.593 1.00 53.33 H new ATOM 0 HA ARG A 105 1.843 5.153 -9.388 1.00 50.12 H new ATOM 0 HB2 ARG A 105 3.585 3.079 -7.991 1.00 53.43 H new ATOM 0 HB3 ARG A 105 3.706 3.543 -9.677 1.00 53.43 H new ATOM 0 HG2 ARG A 105 4.102 5.596 -7.471 1.00 21.24 H new ATOM 0 HG3 ARG A 105 5.409 4.532 -7.951 1.00 21.24 H new ATOM 0 HD2 ARG A 105 5.675 6.626 -9.130 1.00 31.01 H new ATOM 0 HD3 ARG A 105 5.234 5.397 -10.298 1.00 31.01 H new ATOM 0 HE ARG A 105 3.236 6.516 -10.752 1.00 22.32 H new ATOM 0 HH11 ARG A 105 4.705 7.915 -7.824 1.00 31.34 H new ATOM 0 HH12 ARG A 105 3.592 9.286 -7.799 1.00 31.34 H new ATOM 0 HH21 ARG A 105 1.893 8.323 -10.735 1.00 64.14 H new ATOM 0 HH22 ARG A 105 2.010 9.516 -9.438 1.00 64.14 H new ATOM 1801 N LYS A 106 0.986 2.920 -10.382 1.00 31.51 N ATOM 1802 CA LYS A 106 0.198 1.828 -10.975 1.00 41.14 C ATOM 1803 C LYS A 106 1.099 1.051 -11.943 1.00 74.14 C ATOM 1804 O LYS A 106 1.716 1.649 -12.827 1.00 23.11 O ATOM 1805 CB LYS A 106 -1.047 2.433 -11.694 1.00 72.44 C ATOM 1806 CG LYS A 106 -2.038 1.424 -12.333 1.00 43.22 C ATOM 1807 CD LYS A 106 -1.658 0.897 -13.750 1.00 15.33 C ATOM 1808 CE LYS A 106 -1.828 1.932 -14.884 1.00 20.12 C ATOM 1809 NZ LYS A 106 -0.934 3.114 -14.765 1.00 11.53 N ATOM 0 H LYS A 106 1.472 3.487 -11.077 1.00 31.51 H new ATOM 0 HA LYS A 106 -0.162 1.138 -10.212 1.00 41.14 H new ATOM 0 HB2 LYS A 106 -1.595 3.039 -10.973 1.00 72.44 H new ATOM 0 HB3 LYS A 106 -0.695 3.107 -12.475 1.00 72.44 H new ATOM 0 HG2 LYS A 106 -2.137 0.569 -11.664 1.00 43.22 H new ATOM 0 HG3 LYS A 106 -3.018 1.897 -12.394 1.00 43.22 H new ATOM 0 HD2 LYS A 106 -0.621 0.562 -13.733 1.00 15.33 H new ATOM 0 HD3 LYS A 106 -2.271 0.025 -13.976 1.00 15.33 H new ATOM 0 HE2 LYS A 106 -1.640 1.442 -15.840 1.00 20.12 H new ATOM 0 HE3 LYS A 106 -2.863 2.273 -14.898 1.00 20.12 H new ATOM 0 HZ1 LYS A 106 -0.795 3.540 -15.703 1.00 11.53 H new ATOM 0 HZ2 LYS A 106 -1.366 3.813 -14.127 1.00 11.53 H new ATOM 0 HZ3 LYS A 106 -0.015 2.817 -14.381 1.00 11.53 H new ATOM 1823 N VAL A 107 1.156 -0.281 -11.773 1.00 74.41 N ATOM 1824 CA VAL A 107 1.990 -1.178 -12.599 1.00 72.42 C ATOM 1825 C VAL A 107 1.184 -2.383 -13.081 1.00 64.24 C ATOM 1826 O VAL A 107 -0.006 -2.528 -12.771 1.00 61.32 O ATOM 1827 CB VAL A 107 3.275 -1.667 -11.827 1.00 2.31 C ATOM 1828 CG1 VAL A 107 4.147 -0.483 -11.378 1.00 12.40 C ATOM 1829 CG2 VAL A 107 2.913 -2.575 -10.642 1.00 43.41 C ATOM 0 H VAL A 107 0.622 -0.771 -11.055 1.00 74.41 H new ATOM 0 HA VAL A 107 2.317 -0.599 -13.463 1.00 72.42 H new ATOM 0 HB VAL A 107 3.863 -2.262 -12.525 1.00 2.31 H new ATOM 0 HG11 VAL A 107 5.024 -0.857 -10.849 1.00 12.40 H new ATOM 0 HG12 VAL A 107 4.465 0.086 -12.251 1.00 12.40 H new ATOM 0 HG13 VAL A 107 3.571 0.162 -10.715 1.00 12.40 H new ATOM 0 HG21 VAL A 107 3.824 -2.892 -10.135 1.00 43.41 H new ATOM 0 HG22 VAL A 107 2.281 -2.027 -9.944 1.00 43.41 H new ATOM 0 HG23 VAL A 107 2.377 -3.452 -11.006 1.00 43.41 H new ATOM 1839 N THR A 108 1.867 -3.224 -13.856 1.00 15.10 N ATOM 1840 CA THR A 108 1.280 -4.387 -14.519 1.00 72.44 C ATOM 1841 C THR A 108 2.297 -5.556 -14.565 1.00 65.11 C ATOM 1842 O THR A 108 1.914 -6.735 -14.545 1.00 22.21 O ATOM 1843 CB THR A 108 0.828 -3.963 -15.958 1.00 33.34 C ATOM 1844 OG1 THR A 108 -0.121 -2.886 -15.862 1.00 21.12 O ATOM 1845 CG2 THR A 108 0.194 -5.108 -16.747 1.00 52.20 C ATOM 0 H THR A 108 2.863 -3.114 -14.044 1.00 15.10 H new ATOM 0 HA THR A 108 0.412 -4.739 -13.961 1.00 72.44 H new ATOM 0 HB THR A 108 1.726 -3.653 -16.493 1.00 33.34 H new ATOM 0 HG1 THR A 108 0.056 -2.230 -16.568 1.00 21.12 H new ATOM 0 HG21 THR A 108 -0.098 -4.751 -17.735 1.00 52.20 H new ATOM 0 HG22 THR A 108 0.914 -5.920 -16.852 1.00 52.20 H new ATOM 0 HG23 THR A 108 -0.687 -5.471 -16.217 1.00 52.20 H new ATOM 1853 N ASP A 109 3.593 -5.208 -14.620 1.00 14.43 N ATOM 1854 CA ASP A 109 4.707 -6.170 -14.694 1.00 3.44 C ATOM 1855 C ASP A 109 5.274 -6.471 -13.274 1.00 35.43 C ATOM 1856 O ASP A 109 5.140 -5.646 -12.358 1.00 14.11 O ATOM 1857 CB ASP A 109 5.783 -5.571 -15.640 1.00 74.22 C ATOM 1858 CG ASP A 109 7.026 -6.456 -15.824 1.00 31.24 C ATOM 1859 OD1 ASP A 109 7.948 -6.382 -14.989 1.00 64.42 O ATOM 1860 OD2 ASP A 109 7.093 -7.233 -16.804 1.00 44.00 O ATOM 0 H ASP A 109 3.902 -4.236 -14.614 1.00 14.43 H new ATOM 0 HA ASP A 109 4.367 -7.126 -15.092 1.00 3.44 H new ATOM 0 HB2 ASP A 109 5.332 -5.390 -16.616 1.00 74.22 H new ATOM 0 HB3 ASP A 109 6.095 -4.603 -15.249 1.00 74.22 H new ATOM 1865 N ASP A 110 5.939 -7.641 -13.140 1.00 3.40 N ATOM 1866 CA ASP A 110 6.465 -8.184 -11.864 1.00 41.51 C ATOM 1867 C ASP A 110 7.647 -7.351 -11.328 1.00 35.35 C ATOM 1868 O ASP A 110 7.574 -6.802 -10.227 1.00 42.24 O ATOM 1869 CB ASP A 110 6.906 -9.664 -12.099 1.00 42.34 C ATOM 1870 CG ASP A 110 7.641 -10.325 -10.907 1.00 12.23 C ATOM 1871 OD1 ASP A 110 8.888 -10.221 -10.828 1.00 4.20 O ATOM 1872 OD2 ASP A 110 6.988 -10.992 -10.071 1.00 14.32 O ATOM 0 H ASP A 110 6.130 -8.250 -13.936 1.00 3.40 H new ATOM 0 HA ASP A 110 5.678 -8.137 -11.112 1.00 41.51 H new ATOM 0 HB2 ASP A 110 6.023 -10.257 -12.336 1.00 42.34 H new ATOM 0 HB3 ASP A 110 7.557 -9.699 -12.972 1.00 42.34 H new ATOM 1877 N GLU A 111 8.733 -7.247 -12.128 1.00 14.03 N ATOM 1878 CA GLU A 111 9.968 -6.540 -11.704 1.00 70.00 C ATOM 1879 C GLU A 111 9.718 -5.019 -11.654 1.00 51.52 C ATOM 1880 O GLU A 111 10.366 -4.292 -10.888 1.00 35.14 O ATOM 1881 CB GLU A 111 11.159 -6.882 -12.637 1.00 53.53 C ATOM 1882 CG GLU A 111 11.058 -6.284 -14.051 1.00 71.33 C ATOM 1883 CD GLU A 111 12.156 -6.762 -15.007 1.00 5.32 C ATOM 1884 OE1 GLU A 111 13.269 -6.179 -14.990 1.00 33.44 O ATOM 1885 OE2 GLU A 111 11.911 -7.704 -15.797 1.00 10.34 O ATOM 0 H GLU A 111 8.781 -7.641 -13.067 1.00 14.03 H new ATOM 0 HA GLU A 111 10.233 -6.879 -10.703 1.00 70.00 H new ATOM 0 HB2 GLU A 111 12.080 -6.529 -12.173 1.00 53.53 H new ATOM 0 HB3 GLU A 111 11.239 -7.966 -12.720 1.00 53.53 H new ATOM 0 HG2 GLU A 111 10.086 -6.538 -14.474 1.00 71.33 H new ATOM 0 HG3 GLU A 111 11.100 -5.197 -13.979 1.00 71.33 H new ATOM 1892 N GLU A 112 8.742 -4.572 -12.468 1.00 2.11 N ATOM 1893 CA GLU A 112 8.264 -3.188 -12.494 1.00 31.24 C ATOM 1894 C GLU A 112 7.569 -2.842 -11.163 1.00 21.32 C ATOM 1895 O GLU A 112 7.685 -1.728 -10.686 1.00 42.43 O ATOM 1896 CB GLU A 112 7.305 -3.004 -13.689 1.00 50.11 C ATOM 1897 CG GLU A 112 6.683 -1.606 -13.856 1.00 43.40 C ATOM 1898 CD GLU A 112 5.672 -1.543 -15.011 1.00 0.15 C ATOM 1899 OE1 GLU A 112 4.594 -2.177 -14.905 1.00 74.43 O ATOM 1900 OE2 GLU A 112 5.943 -0.865 -16.025 1.00 30.31 O ATOM 0 H GLU A 112 8.260 -5.176 -13.134 1.00 2.11 H new ATOM 0 HA GLU A 112 9.107 -2.508 -12.615 1.00 31.24 H new ATOM 0 HB2 GLU A 112 7.846 -3.249 -14.603 1.00 50.11 H new ATOM 0 HB3 GLU A 112 6.497 -3.729 -13.594 1.00 50.11 H new ATOM 0 HG2 GLU A 112 6.187 -1.320 -12.928 1.00 43.40 H new ATOM 0 HG3 GLU A 112 7.475 -0.878 -14.032 1.00 43.40 H new ATOM 1907 N ALA A 113 6.852 -3.813 -10.573 1.00 42.14 N ATOM 1908 CA ALA A 113 6.270 -3.650 -9.225 1.00 1.14 C ATOM 1909 C ALA A 113 7.364 -3.557 -8.151 1.00 24.04 C ATOM 1910 O ALA A 113 7.306 -2.688 -7.274 1.00 24.22 O ATOM 1911 CB ALA A 113 5.309 -4.803 -8.904 1.00 14.54 C ATOM 0 H ALA A 113 6.660 -4.717 -11.005 1.00 42.14 H new ATOM 0 HA ALA A 113 5.710 -2.715 -9.220 1.00 1.14 H new ATOM 0 HB1 ALA A 113 4.892 -4.662 -7.907 1.00 14.54 H new ATOM 0 HB2 ALA A 113 4.501 -4.818 -9.636 1.00 14.54 H new ATOM 0 HB3 ALA A 113 5.850 -5.749 -8.941 1.00 14.54 H new ATOM 1917 N LEU A 114 8.375 -4.437 -8.267 1.00 23.25 N ATOM 1918 CA LEU A 114 9.471 -4.561 -7.287 1.00 71.44 C ATOM 1919 C LEU A 114 10.305 -3.263 -7.187 1.00 2.45 C ATOM 1920 O LEU A 114 10.683 -2.850 -6.082 1.00 74.04 O ATOM 1921 CB LEU A 114 10.372 -5.773 -7.655 1.00 12.24 C ATOM 1922 CG LEU A 114 9.672 -7.175 -7.655 1.00 10.21 C ATOM 1923 CD1 LEU A 114 10.632 -8.281 -8.150 1.00 21.31 C ATOM 1924 CD2 LEU A 114 9.088 -7.514 -6.260 1.00 43.31 C ATOM 0 H LEU A 114 8.456 -5.087 -9.049 1.00 23.25 H new ATOM 0 HA LEU A 114 9.029 -4.730 -6.305 1.00 71.44 H new ATOM 0 HB2 LEU A 114 10.793 -5.600 -8.645 1.00 12.24 H new ATOM 0 HB3 LEU A 114 11.207 -5.806 -6.955 1.00 12.24 H new ATOM 0 HG LEU A 114 8.838 -7.127 -8.355 1.00 10.21 H new ATOM 0 HD11 LEU A 114 10.117 -9.242 -8.138 1.00 21.31 H new ATOM 0 HD12 LEU A 114 10.955 -8.055 -9.166 1.00 21.31 H new ATOM 0 HD13 LEU A 114 11.502 -8.328 -7.495 1.00 21.31 H new ATOM 0 HD21 LEU A 114 8.609 -8.493 -6.294 1.00 43.31 H new ATOM 0 HD22 LEU A 114 9.891 -7.528 -5.523 1.00 43.31 H new ATOM 0 HD23 LEU A 114 8.352 -6.760 -5.981 1.00 43.31 H new ATOM 1936 N LYS A 115 10.552 -2.603 -8.344 1.00 53.40 N ATOM 1937 CA LYS A 115 11.342 -1.355 -8.390 1.00 15.22 C ATOM 1938 C LYS A 115 10.565 -0.193 -7.744 1.00 63.11 C ATOM 1939 O LYS A 115 11.164 0.642 -7.071 1.00 45.30 O ATOM 1940 CB LYS A 115 11.758 -0.984 -9.842 1.00 52.20 C ATOM 1941 CG LYS A 115 10.588 -0.752 -10.815 1.00 44.32 C ATOM 1942 CD LYS A 115 11.015 -0.214 -12.199 1.00 11.51 C ATOM 1943 CE LYS A 115 11.590 1.210 -12.118 1.00 13.30 C ATOM 1944 NZ LYS A 115 10.625 2.164 -11.506 1.00 71.10 N ATOM 0 H LYS A 115 10.215 -2.916 -9.255 1.00 53.40 H new ATOM 0 HA LYS A 115 12.254 -1.531 -7.819 1.00 15.22 H new ATOM 0 HB2 LYS A 115 12.368 -0.081 -9.810 1.00 52.20 H new ATOM 0 HB3 LYS A 115 12.388 -1.781 -10.238 1.00 52.20 H new ATOM 0 HG2 LYS A 115 10.052 -1.691 -10.952 1.00 44.32 H new ATOM 0 HG3 LYS A 115 9.888 -0.048 -10.364 1.00 44.32 H new ATOM 0 HD2 LYS A 115 11.761 -0.881 -12.632 1.00 11.51 H new ATOM 0 HD3 LYS A 115 10.156 -0.219 -12.870 1.00 11.51 H new ATOM 0 HE2 LYS A 115 12.509 1.198 -11.532 1.00 13.30 H new ATOM 0 HE3 LYS A 115 11.854 1.552 -13.119 1.00 13.30 H new ATOM 0 HZ1 LYS A 115 10.780 3.114 -11.899 1.00 71.10 H new ATOM 0 HZ2 LYS A 115 9.654 1.857 -11.715 1.00 71.10 H new ATOM 0 HZ3 LYS A 115 10.767 2.188 -10.476 1.00 71.10 H new ATOM 1958 N ILE A 116 9.223 -0.174 -7.945 1.00 72.13 N ATOM 1959 CA ILE A 116 8.332 0.862 -7.387 1.00 34.44 C ATOM 1960 C ILE A 116 8.350 0.836 -5.851 1.00 42.14 C ATOM 1961 O ILE A 116 8.381 1.891 -5.210 1.00 52.33 O ATOM 1962 CB ILE A 116 6.856 0.691 -7.901 1.00 11.12 C ATOM 1963 CG1 ILE A 116 6.762 0.875 -9.443 1.00 42.33 C ATOM 1964 CG2 ILE A 116 5.885 1.644 -7.184 1.00 41.31 C ATOM 1965 CD1 ILE A 116 7.154 2.231 -9.994 1.00 4.35 C ATOM 0 H ILE A 116 8.734 -0.878 -8.498 1.00 72.13 H new ATOM 0 HA ILE A 116 8.709 1.826 -7.730 1.00 34.44 H new ATOM 0 HB ILE A 116 6.558 -0.330 -7.662 1.00 11.12 H new ATOM 0 HG12 ILE A 116 7.393 0.121 -9.914 1.00 42.33 H new ATOM 0 HG13 ILE A 116 5.736 0.668 -9.748 1.00 42.33 H new ATOM 0 HG21 ILE A 116 4.876 1.493 -7.569 1.00 41.31 H new ATOM 0 HG22 ILE A 116 5.899 1.440 -6.113 1.00 41.31 H new ATOM 0 HG23 ILE A 116 6.190 2.675 -7.361 1.00 41.31 H new ATOM 0 HD11 ILE A 116 7.044 2.229 -11.078 1.00 4.35 H new ATOM 0 HD12 ILE A 116 6.509 2.998 -9.566 1.00 4.35 H new ATOM 0 HD13 ILE A 116 8.191 2.443 -9.735 1.00 4.35 H new ATOM 1977 N VAL A 117 8.326 -0.384 -5.288 1.00 15.21 N ATOM 1978 CA VAL A 117 8.392 -0.606 -3.835 1.00 24.52 C ATOM 1979 C VAL A 117 9.702 -0.035 -3.263 1.00 23.34 C ATOM 1980 O VAL A 117 9.683 0.680 -2.264 1.00 72.35 O ATOM 1981 CB VAL A 117 8.284 -2.135 -3.496 1.00 23.40 C ATOM 1982 CG1 VAL A 117 8.388 -2.406 -1.976 1.00 23.44 C ATOM 1983 CG2 VAL A 117 6.982 -2.721 -4.073 1.00 41.51 C ATOM 0 H VAL A 117 8.260 -1.246 -5.830 1.00 15.21 H new ATOM 0 HA VAL A 117 7.549 -0.089 -3.378 1.00 24.52 H new ATOM 0 HB VAL A 117 9.132 -2.635 -3.964 1.00 23.40 H new ATOM 0 HG11 VAL A 117 8.308 -3.477 -1.791 1.00 23.44 H new ATOM 0 HG12 VAL A 117 9.348 -2.045 -1.607 1.00 23.44 H new ATOM 0 HG13 VAL A 117 7.582 -1.887 -1.458 1.00 23.44 H new ATOM 0 HG21 VAL A 117 6.921 -3.782 -3.830 1.00 41.51 H new ATOM 0 HG22 VAL A 117 6.127 -2.201 -3.642 1.00 41.51 H new ATOM 0 HG23 VAL A 117 6.975 -2.596 -5.156 1.00 41.51 H new ATOM 1993 N ARG A 118 10.821 -0.319 -3.957 1.00 64.03 N ATOM 1994 CA ARG A 118 12.165 0.137 -3.549 1.00 4.25 C ATOM 1995 C ARG A 118 12.267 1.675 -3.583 1.00 53.53 C ATOM 1996 O ARG A 118 12.875 2.276 -2.689 1.00 64.55 O ATOM 1997 CB ARG A 118 13.248 -0.510 -4.453 1.00 32.02 C ATOM 1998 CG ARG A 118 13.329 -2.044 -4.309 1.00 72.05 C ATOM 1999 CD ARG A 118 14.300 -2.692 -5.306 1.00 21.34 C ATOM 2000 NE ARG A 118 14.344 -4.155 -5.134 1.00 11.24 N ATOM 2001 CZ ARG A 118 14.860 -5.034 -6.010 1.00 22.14 C ATOM 2002 NH1 ARG A 118 15.395 -4.626 -7.155 1.00 4.53 N ATOM 2003 NH2 ARG A 118 14.834 -6.333 -5.717 1.00 73.24 N ATOM 0 H ARG A 118 10.819 -0.870 -4.815 1.00 64.03 H new ATOM 0 HA ARG A 118 12.336 -0.181 -2.520 1.00 4.25 H new ATOM 0 HB2 ARG A 118 13.039 -0.261 -5.493 1.00 32.02 H new ATOM 0 HB3 ARG A 118 14.219 -0.078 -4.211 1.00 32.02 H new ATOM 0 HG2 ARG A 118 13.641 -2.292 -3.294 1.00 72.05 H new ATOM 0 HG3 ARG A 118 12.335 -2.469 -4.450 1.00 72.05 H new ATOM 0 HD2 ARG A 118 13.994 -2.452 -6.324 1.00 21.34 H new ATOM 0 HD3 ARG A 118 15.298 -2.277 -5.167 1.00 21.34 H new ATOM 0 HE ARG A 118 13.948 -4.534 -4.274 1.00 11.24 H new ATOM 0 HH11 ARG A 118 15.419 -3.632 -7.381 1.00 4.53 H new ATOM 0 HH12 ARG A 118 15.782 -5.307 -7.808 1.00 4.53 H new ATOM 0 HH21 ARG A 118 14.426 -6.649 -4.837 1.00 73.24 H new ATOM 0 HH22 ARG A 118 15.222 -7.011 -6.372 1.00 73.24 H new ATOM 2017 N GLU A 119 11.629 2.289 -4.601 1.00 74.03 N ATOM 2018 CA GLU A 119 11.553 3.757 -4.742 1.00 5.33 C ATOM 2019 C GLU A 119 10.712 4.367 -3.605 1.00 53.51 C ATOM 2020 O GLU A 119 11.116 5.356 -3.006 1.00 54.32 O ATOM 2021 CB GLU A 119 10.968 4.143 -6.125 1.00 3.22 C ATOM 2022 CG GLU A 119 11.850 3.746 -7.333 1.00 15.31 C ATOM 2023 CD GLU A 119 11.143 3.962 -8.675 1.00 70.20 C ATOM 2024 OE1 GLU A 119 10.173 3.235 -8.953 1.00 62.13 O ATOM 2025 OE2 GLU A 119 11.547 4.851 -9.462 1.00 33.02 O ATOM 0 H GLU A 119 11.153 1.782 -5.347 1.00 74.03 H new ATOM 0 HA GLU A 119 12.563 4.161 -4.674 1.00 5.33 H new ATOM 0 HB2 GLU A 119 9.991 3.672 -6.235 1.00 3.22 H new ATOM 0 HB3 GLU A 119 10.807 5.221 -6.148 1.00 3.22 H new ATOM 0 HG2 GLU A 119 12.770 4.330 -7.313 1.00 15.31 H new ATOM 0 HG3 GLU A 119 12.135 2.698 -7.241 1.00 15.31 H new ATOM 2032 N PHE A 120 9.555 3.734 -3.308 1.00 31.14 N ATOM 2033 CA PHE A 120 8.674 4.104 -2.173 1.00 2.25 C ATOM 2034 C PHE A 120 9.448 4.104 -0.840 1.00 4.40 C ATOM 2035 O PHE A 120 9.285 5.005 -0.004 1.00 21.11 O ATOM 2036 CB PHE A 120 7.465 3.120 -2.077 1.00 25.11 C ATOM 2037 CG PHE A 120 6.331 3.334 -3.085 1.00 24.33 C ATOM 2038 CD1 PHE A 120 6.176 4.538 -3.788 1.00 42.51 C ATOM 2039 CD2 PHE A 120 5.372 2.336 -3.271 1.00 64.40 C ATOM 2040 CE1 PHE A 120 5.107 4.723 -4.647 1.00 4.25 C ATOM 2041 CE2 PHE A 120 4.305 2.532 -4.120 1.00 10.32 C ATOM 2042 CZ PHE A 120 4.173 3.723 -4.807 1.00 12.54 C ATOM 0 H PHE A 120 9.202 2.946 -3.852 1.00 31.14 H new ATOM 0 HA PHE A 120 8.305 5.113 -2.358 1.00 2.25 H new ATOM 0 HB2 PHE A 120 7.841 2.104 -2.196 1.00 25.11 H new ATOM 0 HB3 PHE A 120 7.047 3.189 -1.073 1.00 25.11 H new ATOM 0 HD1 PHE A 120 6.899 5.329 -3.657 1.00 42.51 H new ATOM 0 HD2 PHE A 120 5.468 1.399 -2.743 1.00 64.40 H new ATOM 0 HE1 PHE A 120 5.005 5.650 -5.191 1.00 4.25 H new ATOM 0 HE2 PHE A 120 3.569 1.752 -4.249 1.00 10.32 H new ATOM 0 HZ PHE A 120 3.335 3.871 -5.472 1.00 12.54 H new ATOM 2052 N MET A 121 10.306 3.086 -0.681 1.00 65.31 N ATOM 2053 CA MET A 121 11.157 2.908 0.502 1.00 45.42 C ATOM 2054 C MET A 121 12.196 4.041 0.628 1.00 75.41 C ATOM 2055 O MET A 121 12.569 4.398 1.743 1.00 44.44 O ATOM 2056 CB MET A 121 11.828 1.505 0.445 1.00 53.13 C ATOM 2057 CG MET A 121 10.822 0.340 0.573 1.00 52.02 C ATOM 2058 SD MET A 121 11.453 -1.241 -0.031 1.00 63.11 S ATOM 2059 CE MET A 121 12.760 -1.595 1.129 1.00 31.32 C ATOM 0 H MET A 121 10.429 2.354 -1.380 1.00 65.31 H new ATOM 0 HA MET A 121 10.539 2.962 1.398 1.00 45.42 H new ATOM 0 HB2 MET A 121 12.369 1.407 -0.496 1.00 53.13 H new ATOM 0 HB3 MET A 121 12.564 1.429 1.245 1.00 53.13 H new ATOM 0 HG2 MET A 121 10.539 0.231 1.620 1.00 52.02 H new ATOM 0 HG3 MET A 121 9.916 0.593 0.022 1.00 52.02 H new ATOM 0 HE1 MET A 121 13.195 -2.568 0.901 1.00 31.32 H new ATOM 0 HE2 MET A 121 13.530 -0.827 1.055 1.00 31.32 H new ATOM 0 HE3 MET A 121 12.355 -1.607 2.141 1.00 31.32 H new ATOM 2069 N GLN A 122 12.620 4.628 -0.519 1.00 12.51 N ATOM 2070 CA GLN A 122 13.571 5.771 -0.531 1.00 32.14 C ATOM 2071 C GLN A 122 12.924 7.022 0.108 1.00 34.11 C ATOM 2072 O GLN A 122 13.538 7.683 0.949 1.00 42.31 O ATOM 2073 CB GLN A 122 14.047 6.109 -1.976 1.00 62.23 C ATOM 2074 CG GLN A 122 14.643 4.929 -2.772 1.00 41.05 C ATOM 2075 CD GLN A 122 15.820 4.226 -2.088 1.00 22.41 C ATOM 2076 OE1 GLN A 122 16.978 4.613 -2.267 1.00 14.33 O ATOM 2077 NE2 GLN A 122 15.540 3.174 -1.329 1.00 12.44 N ATOM 0 H GLN A 122 12.320 4.330 -1.447 1.00 12.51 H new ATOM 0 HA GLN A 122 14.441 5.474 0.054 1.00 32.14 H new ATOM 0 HB2 GLN A 122 13.201 6.511 -2.534 1.00 62.23 H new ATOM 0 HB3 GLN A 122 14.795 6.900 -1.918 1.00 62.23 H new ATOM 0 HG2 GLN A 122 13.856 4.197 -2.954 1.00 41.05 H new ATOM 0 HG3 GLN A 122 14.971 5.294 -3.745 1.00 41.05 H new ATOM 0 HE21 GLN A 122 14.572 2.880 -1.202 1.00 12.44 H new ATOM 0 HE22 GLN A 122 16.293 2.659 -0.873 1.00 12.44 H new ATOM 2086 N LYS A 123 11.668 7.315 -0.280 1.00 44.13 N ATOM 2087 CA LYS A 123 10.908 8.464 0.274 1.00 74.30 C ATOM 2088 C LYS A 123 10.519 8.198 1.750 1.00 44.03 C ATOM 2089 O LYS A 123 10.385 9.139 2.536 1.00 70.52 O ATOM 2090 CB LYS A 123 9.624 8.794 -0.554 1.00 4.33 C ATOM 2091 CG LYS A 123 9.826 9.333 -1.992 1.00 54.33 C ATOM 2092 CD LYS A 123 10.267 8.255 -2.997 1.00 41.21 C ATOM 2093 CE LYS A 123 10.275 8.744 -4.450 1.00 63.21 C ATOM 2094 NZ LYS A 123 8.921 9.132 -4.927 1.00 61.30 N ATOM 0 H LYS A 123 11.153 6.774 -0.975 1.00 44.13 H new ATOM 0 HA LYS A 123 11.568 9.329 0.215 1.00 74.30 H new ATOM 0 HB2 LYS A 123 9.020 7.889 -0.615 1.00 4.33 H new ATOM 0 HB3 LYS A 123 9.043 9.529 0.003 1.00 4.33 H new ATOM 0 HG2 LYS A 123 8.894 9.781 -2.338 1.00 54.33 H new ATOM 0 HG3 LYS A 123 10.573 10.127 -1.972 1.00 54.33 H new ATOM 0 HD2 LYS A 123 11.266 7.909 -2.732 1.00 41.21 H new ATOM 0 HD3 LYS A 123 9.600 7.397 -2.914 1.00 41.21 H new ATOM 0 HE2 LYS A 123 10.947 9.598 -4.539 1.00 63.21 H new ATOM 0 HE3 LYS A 123 10.672 7.958 -5.092 1.00 63.21 H new ATOM 0 HZ1 LYS A 123 8.875 9.029 -5.961 1.00 61.30 H new ATOM 0 HZ2 LYS A 123 8.208 8.517 -4.486 1.00 61.30 H new ATOM 0 HZ3 LYS A 123 8.732 10.122 -4.669 1.00 61.30 H new ATOM 2108 N ALA A 124 10.362 6.906 2.113 1.00 44.24 N ATOM 2109 CA ALA A 124 10.069 6.481 3.498 1.00 65.22 C ATOM 2110 C ALA A 124 11.290 6.729 4.406 1.00 11.42 C ATOM 2111 O ALA A 124 11.156 7.177 5.547 1.00 43.31 O ATOM 2112 CB ALA A 124 9.665 4.999 3.516 1.00 22.22 C ATOM 0 H ALA A 124 10.435 6.130 1.455 1.00 44.24 H new ATOM 0 HA ALA A 124 9.237 7.071 3.883 1.00 65.22 H new ATOM 0 HB1 ALA A 124 9.451 4.693 4.540 1.00 22.22 H new ATOM 0 HB2 ALA A 124 8.776 4.857 2.901 1.00 22.22 H new ATOM 0 HB3 ALA A 124 10.481 4.395 3.120 1.00 22.22 H new ATOM 2118 N GLY A 125 12.489 6.455 3.848 1.00 72.03 N ATOM 2119 CA GLY A 125 13.760 6.727 4.526 1.00 30.32 C ATOM 2120 C GLY A 125 14.049 8.224 4.645 1.00 3.32 C ATOM 2121 O GLY A 125 14.759 8.654 5.559 1.00 64.24 O ATOM 0 H GLY A 125 12.595 6.042 2.921 1.00 72.03 H new ATOM 0 HA2 GLY A 125 13.740 6.283 5.521 1.00 30.32 H new ATOM 0 HA3 GLY A 125 14.571 6.246 3.979 1.00 30.32 H new ATOM 2125 N SER A 126 13.453 9.019 3.725 1.00 71.21 N ATOM 2126 CA SER A 126 13.547 10.492 3.729 1.00 63.10 C ATOM 2127 C SER A 126 12.726 11.091 4.895 1.00 1.32 C ATOM 2128 O SER A 126 12.980 12.223 5.329 1.00 3.14 O ATOM 2129 CB SER A 126 13.064 11.046 2.367 1.00 60.32 C ATOM 2130 OG SER A 126 13.177 12.457 2.293 1.00 3.12 O ATOM 0 H SER A 126 12.892 8.651 2.957 1.00 71.21 H new ATOM 0 HA SER A 126 14.587 10.782 3.877 1.00 63.10 H new ATOM 0 HB2 SER A 126 13.648 10.594 1.565 1.00 60.32 H new ATOM 0 HB3 SER A 126 12.025 10.757 2.207 1.00 60.32 H new ATOM 0 HG SER A 126 12.863 12.765 1.417 1.00 3.12 H new ATOM 2136 N LEU A 127 11.737 10.319 5.384 1.00 33.31 N ATOM 2137 CA LEU A 127 10.918 10.687 6.554 1.00 22.41 C ATOM 2138 C LEU A 127 11.606 10.225 7.856 1.00 30.01 C ATOM 2139 O LEU A 127 11.479 10.873 8.905 1.00 62.41 O ATOM 2140 CB LEU A 127 9.517 10.048 6.433 1.00 62.12 C ATOM 2141 CG LEU A 127 8.732 10.362 5.121 1.00 25.42 C ATOM 2142 CD1 LEU A 127 7.445 9.525 5.033 1.00 14.11 C ATOM 2143 CD2 LEU A 127 8.428 11.871 4.973 1.00 3.44 C ATOM 0 H LEU A 127 11.483 9.419 4.977 1.00 33.31 H new ATOM 0 HA LEU A 127 10.812 11.771 6.586 1.00 22.41 H new ATOM 0 HB2 LEU A 127 9.624 8.967 6.519 1.00 62.12 H new ATOM 0 HB3 LEU A 127 8.915 10.377 7.280 1.00 62.12 H new ATOM 0 HG LEU A 127 9.376 10.083 4.287 1.00 25.42 H new ATOM 0 HD11 LEU A 127 6.918 9.764 4.109 1.00 14.11 H new ATOM 0 HD12 LEU A 127 7.699 8.465 5.042 1.00 14.11 H new ATOM 0 HD13 LEU A 127 6.804 9.752 5.885 1.00 14.11 H new ATOM 0 HD21 LEU A 127 7.881 12.043 4.046 1.00 3.44 H new ATOM 0 HD22 LEU A 127 7.825 12.205 5.817 1.00 3.44 H new ATOM 0 HD23 LEU A 127 9.363 12.430 4.951 1.00 3.44 H new