USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 835 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 135 HIS : no HD1:sc= 0 X(o=0.84,f=0.37) USER MOD Set 1.2: A 136 SER OG : rot -10:sc= 0.841 USER MOD Single : A 22 LYS NZ :NH3+ -166:sc= -1.26! (180deg=-1.77!) USER MOD Single : A 26 TYR OH : rot 73:sc= 0.542 USER MOD Single : A 33 THR OG1 : rot -76:sc= 1.12 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0866 USER MOD Single : A 38 SER OG : rot -140:sc= -0.25 USER MOD Single : A 40 ASN : amide:sc= -1.02 K(o=-1,f=-2.7!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 HIS : no HD1:sc= -0.129 X(o=-0.13,f=-0.26) USER MOD Single : A 57 TYR OH : rot -112:sc= 0.942 USER MOD Single : A 59 ASN : amide:sc=0.000588 X(o=0.00059,f=-0.48) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -2.08! K(o=-2.1!,f=-1.4) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.00809 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0191 USER MOD Single : A 70 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.42) USER MOD Single : A 74 GLN : amide:sc=-0.00208 K(o=-0.0021,f=-1.8) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -176:sc= 1.27 (180deg=1.19) USER MOD Single : A 99 TYR OH : rot 120:sc= 0.233 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot -168:sc= -0.422 USER MOD Single : A 123 TYR OH : rot -141:sc= 1.12 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 132 CYS SG : rot -2:sc= -2.54! USER MOD Single : A 138 LYS NZ :NH3+ 170:sc= 1.31 (180deg=1.19) USER MOD Single : A 141 MET CE :methyl -141:sc= -0.17 (180deg=-1.46) USER MOD Single : A 142 SER OG : rot 15:sc= 1 USER MOD Single : A 143 LYS NZ :NH3+ 163:sc= 0.545 (180deg=-0.182!) USER MOD ----------------------------------------------------------------- ATOM 60 N ASP A 18 -15.409 12.246 12.087 1.00 74.13 N ATOM 61 CA ASP A 18 -14.503 11.602 13.025 1.00 65.00 C ATOM 62 C ASP A 18 -15.114 10.283 13.483 1.00 31.41 C ATOM 63 O ASP A 18 -14.421 9.267 13.672 1.00 62.02 O ATOM 64 CB ASP A 18 -14.262 12.524 14.208 1.00 41.54 C ATOM 65 CG ASP A 18 -13.106 12.088 15.084 1.00 54.31 C ATOM 66 OD1 ASP A 18 -13.340 11.402 16.091 1.00 45.41 O ATOM 67 OD2 ASP A 18 -11.939 12.465 14.787 1.00 45.42 O ATOM 0 HA ASP A 18 -13.546 11.398 12.545 1.00 65.00 H new ATOM 0 HB2 ASP A 18 -14.070 13.532 13.840 1.00 41.54 H new ATOM 0 HB3 ASP A 18 -15.168 12.572 14.812 1.00 41.54 H new ATOM 72 N LEU A 19 -16.427 10.292 13.602 1.00 52.54 N ATOM 73 CA LEU A 19 -17.182 9.114 13.954 1.00 50.23 C ATOM 74 C LEU A 19 -17.152 8.139 12.781 1.00 61.24 C ATOM 75 O LEU A 19 -16.979 6.933 12.968 1.00 1.12 O ATOM 76 CB LEU A 19 -18.636 9.515 14.361 1.00 1.02 C ATOM 77 CG LEU A 19 -19.626 8.400 14.820 1.00 42.25 C ATOM 78 CD1 LEU A 19 -20.191 7.598 13.653 1.00 2.45 C ATOM 79 CD2 LEU A 19 -18.958 7.469 15.817 1.00 74.13 C ATOM 0 H LEU A 19 -17.000 11.123 13.456 1.00 52.54 H new ATOM 0 HA LEU A 19 -16.738 8.617 14.816 1.00 50.23 H new ATOM 0 HB2 LEU A 19 -18.563 10.243 15.169 1.00 1.02 H new ATOM 0 HB3 LEU A 19 -19.087 10.026 13.510 1.00 1.02 H new ATOM 0 HG LEU A 19 -20.464 8.905 15.300 1.00 42.25 H new ATOM 0 HD11 LEU A 19 -20.873 6.837 14.031 1.00 2.45 H new ATOM 0 HD12 LEU A 19 -20.729 8.265 12.980 1.00 2.45 H new ATOM 0 HD13 LEU A 19 -19.375 7.118 13.113 1.00 2.45 H new ATOM 0 HD21 LEU A 19 -19.665 6.698 16.125 1.00 74.13 H new ATOM 0 HD22 LEU A 19 -18.090 7.001 15.353 1.00 74.13 H new ATOM 0 HD23 LEU A 19 -18.639 8.039 16.690 1.00 74.13 H new ATOM 91 N ASP A 20 -17.253 8.678 11.583 1.00 32.30 N ATOM 92 CA ASP A 20 -17.276 7.870 10.371 1.00 14.04 C ATOM 93 C ASP A 20 -15.953 7.175 10.193 1.00 70.23 C ATOM 94 O ASP A 20 -15.911 5.974 9.958 1.00 54.43 O ATOM 95 CB ASP A 20 -17.602 8.716 9.129 1.00 62.31 C ATOM 96 CG ASP A 20 -17.754 7.882 7.860 1.00 62.21 C ATOM 97 OD1 ASP A 20 -16.855 7.890 6.998 1.00 15.12 O ATOM 98 OD2 ASP A 20 -18.810 7.229 7.692 1.00 72.54 O ATOM 0 H ASP A 20 -17.321 9.682 11.418 1.00 32.30 H new ATOM 0 HA ASP A 20 -18.066 7.126 10.480 1.00 14.04 H new ATOM 0 HB2 ASP A 20 -18.524 9.269 9.306 1.00 62.31 H new ATOM 0 HB3 ASP A 20 -16.812 9.452 8.980 1.00 62.31 H new ATOM 103 N VAL A 21 -14.873 7.916 10.389 1.00 34.21 N ATOM 104 CA VAL A 21 -13.538 7.371 10.216 1.00 43.32 C ATOM 105 C VAL A 21 -13.191 6.358 11.297 1.00 32.23 C ATOM 106 O VAL A 21 -12.542 5.352 11.007 1.00 4.52 O ATOM 107 CB VAL A 21 -12.421 8.454 10.122 1.00 21.40 C ATOM 108 CG1 VAL A 21 -12.722 9.429 9.030 1.00 5.44 C ATOM 109 CG2 VAL A 21 -12.201 9.181 11.427 1.00 24.20 C ATOM 0 H VAL A 21 -14.896 8.897 10.668 1.00 34.21 H new ATOM 0 HA VAL A 21 -13.570 6.864 9.252 1.00 43.32 H new ATOM 0 HB VAL A 21 -11.495 7.928 9.890 1.00 21.40 H new ATOM 0 HG11 VAL A 21 -11.930 10.177 8.981 1.00 5.44 H new ATOM 0 HG12 VAL A 21 -12.782 8.902 8.078 1.00 5.44 H new ATOM 0 HG13 VAL A 21 -13.673 9.921 9.233 1.00 5.44 H new ATOM 0 HG21 VAL A 21 -11.412 9.923 11.302 1.00 24.20 H new ATOM 0 HG22 VAL A 21 -13.123 9.679 11.726 1.00 24.20 H new ATOM 0 HG23 VAL A 21 -11.908 8.467 12.197 1.00 24.20 H new ATOM 119 N LYS A 22 -13.616 6.598 12.547 1.00 0.50 N ATOM 120 CA LYS A 22 -13.320 5.624 13.581 1.00 60.41 C ATOM 121 C LYS A 22 -14.173 4.395 13.390 1.00 41.22 C ATOM 122 O LYS A 22 -13.722 3.293 13.610 1.00 74.24 O ATOM 123 CB LYS A 22 -13.460 6.185 15.011 1.00 74.00 C ATOM 124 CG LYS A 22 -14.877 6.509 15.451 1.00 3.12 C ATOM 125 CD LYS A 22 -14.948 7.133 16.851 1.00 44.41 C ATOM 126 CE LYS A 22 -14.527 8.612 16.886 1.00 41.51 C ATOM 127 NZ LYS A 22 -13.074 8.862 16.657 1.00 2.24 N ATOM 0 H LYS A 22 -14.140 7.420 12.847 1.00 0.50 H new ATOM 0 HA LYS A 22 -12.269 5.355 13.474 1.00 60.41 H new ATOM 0 HB2 LYS A 22 -13.038 5.462 15.709 1.00 74.00 H new ATOM 0 HB3 LYS A 22 -12.858 7.091 15.088 1.00 74.00 H new ATOM 0 HG2 LYS A 22 -15.326 7.194 14.732 1.00 3.12 H new ATOM 0 HG3 LYS A 22 -15.473 5.596 15.437 1.00 3.12 H new ATOM 0 HD2 LYS A 22 -15.967 7.045 17.228 1.00 44.41 H new ATOM 0 HD3 LYS A 22 -14.308 6.565 17.526 1.00 44.41 H new ATOM 0 HE2 LYS A 22 -15.096 9.154 16.131 1.00 41.51 H new ATOM 0 HE3 LYS A 22 -14.804 9.030 17.854 1.00 41.51 H new ATOM 0 HZ1 LYS A 22 -12.843 9.839 16.929 1.00 2.24 H new ATOM 0 HZ2 LYS A 22 -12.513 8.200 17.231 1.00 2.24 H new ATOM 0 HZ3 LYS A 22 -12.852 8.721 15.651 1.00 2.24 H new ATOM 141 N GLY A 23 -15.384 4.597 12.901 1.00 61.41 N ATOM 142 CA GLY A 23 -16.289 3.496 12.699 1.00 51.12 C ATOM 143 C GLY A 23 -15.844 2.628 11.555 1.00 43.21 C ATOM 144 O GLY A 23 -15.861 1.403 11.643 1.00 72.22 O ATOM 0 H GLY A 23 -15.755 5.510 12.640 1.00 61.41 H new ATOM 0 HA2 GLY A 23 -16.349 2.900 13.609 1.00 51.12 H new ATOM 0 HA3 GLY A 23 -17.291 3.877 12.501 1.00 51.12 H new ATOM 148 N LEU A 24 -15.409 3.273 10.503 1.00 25.43 N ATOM 149 CA LEU A 24 -14.946 2.639 9.313 1.00 4.40 C ATOM 150 C LEU A 24 -13.623 1.942 9.600 1.00 54.34 C ATOM 151 O LEU A 24 -13.470 0.759 9.317 1.00 15.43 O ATOM 152 CB LEU A 24 -14.755 3.735 8.276 1.00 31.11 C ATOM 153 CG LEU A 24 -14.480 3.334 6.858 1.00 32.21 C ATOM 154 CD1 LEU A 24 -15.759 2.867 6.187 1.00 71.11 C ATOM 155 CD2 LEU A 24 -13.840 4.469 6.085 1.00 65.04 C ATOM 0 H LEU A 24 -15.369 4.291 10.458 1.00 25.43 H new ATOM 0 HA LEU A 24 -15.653 1.892 8.953 1.00 4.40 H new ATOM 0 HB2 LEU A 24 -15.652 4.354 8.278 1.00 31.11 H new ATOM 0 HB3 LEU A 24 -13.931 4.367 8.608 1.00 31.11 H new ATOM 0 HG LEU A 24 -13.773 2.504 6.865 1.00 32.21 H new ATOM 0 HD11 LEU A 24 -15.546 2.579 5.158 1.00 71.11 H new ATOM 0 HD12 LEU A 24 -16.162 2.011 6.728 1.00 71.11 H new ATOM 0 HD13 LEU A 24 -16.489 3.676 6.193 1.00 71.11 H new ATOM 0 HD21 LEU A 24 -13.652 4.150 5.060 1.00 65.04 H new ATOM 0 HD22 LEU A 24 -14.510 5.329 6.080 1.00 65.04 H new ATOM 0 HD23 LEU A 24 -12.898 4.745 6.558 1.00 65.04 H new ATOM 167 N GLY A 25 -12.692 2.682 10.203 1.00 41.11 N ATOM 168 CA GLY A 25 -11.392 2.144 10.530 1.00 42.03 C ATOM 169 C GLY A 25 -11.489 0.985 11.480 1.00 43.12 C ATOM 170 O GLY A 25 -10.808 -0.037 11.296 1.00 41.42 O ATOM 0 H GLY A 25 -12.825 3.657 10.471 1.00 41.11 H new ATOM 0 HA2 GLY A 25 -10.891 1.824 9.616 1.00 42.03 H new ATOM 0 HA3 GLY A 25 -10.776 2.926 10.973 1.00 42.03 H new ATOM 174 N TYR A 26 -12.353 1.111 12.484 1.00 70.03 N ATOM 175 CA TYR A 26 -12.556 0.031 13.405 1.00 70.00 C ATOM 176 C TYR A 26 -13.171 -1.157 12.712 1.00 72.13 C ATOM 177 O TYR A 26 -12.708 -2.233 12.903 1.00 4.42 O ATOM 178 CB TYR A 26 -13.396 0.415 14.650 1.00 54.52 C ATOM 179 CG TYR A 26 -13.700 -0.787 15.539 1.00 62.10 C ATOM 180 CD1 TYR A 26 -14.905 -1.472 15.424 1.00 35.12 C ATOM 181 CD2 TYR A 26 -12.761 -1.272 16.440 1.00 42.21 C ATOM 182 CE1 TYR A 26 -15.163 -2.596 16.168 1.00 24.50 C ATOM 183 CE2 TYR A 26 -13.023 -2.395 17.201 1.00 60.23 C ATOM 184 CZ TYR A 26 -14.223 -3.055 17.052 1.00 22.00 C ATOM 185 OH TYR A 26 -14.479 -4.194 17.788 1.00 64.42 O ATOM 0 H TYR A 26 -12.911 1.945 12.667 1.00 70.03 H new ATOM 0 HA TYR A 26 -11.563 -0.230 13.772 1.00 70.00 H new ATOM 0 HB2 TYR A 26 -12.859 1.166 15.230 1.00 54.52 H new ATOM 0 HB3 TYR A 26 -14.332 0.871 14.327 1.00 54.52 H new ATOM 0 HD1 TYR A 26 -15.654 -1.112 14.734 1.00 35.12 H new ATOM 0 HD2 TYR A 26 -11.814 -0.765 16.547 1.00 42.21 H new ATOM 0 HE1 TYR A 26 -16.103 -3.116 16.057 1.00 24.50 H new ATOM 0 HE2 TYR A 26 -12.291 -2.754 17.909 1.00 60.23 H new ATOM 0 HH TYR A 26 -14.425 -4.980 17.204 1.00 64.42 H new ATOM 195 N ASP A 27 -14.184 -0.941 11.863 1.00 10.05 N ATOM 196 CA ASP A 27 -14.918 -2.054 11.242 1.00 62.33 C ATOM 197 C ASP A 27 -13.993 -2.866 10.365 1.00 42.51 C ATOM 198 O ASP A 27 -14.021 -4.094 10.347 1.00 43.33 O ATOM 199 CB ASP A 27 -16.104 -1.543 10.424 1.00 62.03 C ATOM 200 CG ASP A 27 -17.062 -2.661 10.041 1.00 63.51 C ATOM 201 OD1 ASP A 27 -17.711 -3.233 10.953 1.00 30.04 O ATOM 202 OD2 ASP A 27 -17.257 -2.944 8.833 1.00 4.15 O ATOM 0 H ASP A 27 -14.513 -0.014 11.591 1.00 10.05 H new ATOM 0 HA ASP A 27 -15.303 -2.690 12.039 1.00 62.33 H new ATOM 0 HB2 ASP A 27 -16.641 -0.788 10.998 1.00 62.03 H new ATOM 0 HB3 ASP A 27 -15.737 -1.056 9.521 1.00 62.03 H new ATOM 207 N PHE A 28 -13.138 -2.148 9.703 1.00 1.42 N ATOM 208 CA PHE A 28 -12.125 -2.673 8.823 1.00 5.15 C ATOM 209 C PHE A 28 -11.112 -3.517 9.625 1.00 23.12 C ATOM 210 O PHE A 28 -10.907 -4.712 9.358 1.00 11.22 O ATOM 211 CB PHE A 28 -11.480 -1.438 8.185 1.00 24.30 C ATOM 212 CG PHE A 28 -10.299 -1.618 7.303 1.00 32.43 C ATOM 213 CD1 PHE A 28 -10.433 -1.625 5.927 1.00 54.45 C ATOM 214 CD2 PHE A 28 -9.045 -1.706 7.850 1.00 23.11 C ATOM 215 CE1 PHE A 28 -9.332 -1.720 5.114 1.00 75.02 C ATOM 216 CE2 PHE A 28 -7.945 -1.814 7.049 1.00 3.44 C ATOM 217 CZ PHE A 28 -8.088 -1.818 5.670 1.00 50.34 C ATOM 0 H PHE A 28 -13.123 -1.130 9.761 1.00 1.42 H new ATOM 0 HA PHE A 28 -12.525 -3.340 8.059 1.00 5.15 H new ATOM 0 HB2 PHE A 28 -12.249 -0.927 7.605 1.00 24.30 H new ATOM 0 HB3 PHE A 28 -11.189 -0.765 8.991 1.00 24.30 H new ATOM 0 HD1 PHE A 28 -11.417 -1.555 5.487 1.00 54.45 H new ATOM 0 HD2 PHE A 28 -8.926 -1.690 8.923 1.00 23.11 H new ATOM 0 HE1 PHE A 28 -9.448 -1.717 4.040 1.00 75.02 H new ATOM 0 HE2 PHE A 28 -6.963 -1.896 7.490 1.00 3.44 H new ATOM 0 HZ PHE A 28 -7.217 -1.898 5.036 1.00 50.34 H new ATOM 227 N ILE A 29 -10.537 -2.917 10.639 1.00 1.42 N ATOM 228 CA ILE A 29 -9.564 -3.594 11.464 1.00 32.43 C ATOM 229 C ILE A 29 -10.213 -4.727 12.259 1.00 3.53 C ATOM 230 O ILE A 29 -9.596 -5.749 12.509 1.00 0.11 O ATOM 231 CB ILE A 29 -8.786 -2.587 12.365 1.00 71.42 C ATOM 232 CG1 ILE A 29 -7.787 -1.768 11.524 1.00 50.50 C ATOM 233 CG2 ILE A 29 -8.088 -3.243 13.563 1.00 22.43 C ATOM 234 CD1 ILE A 29 -6.768 -2.612 10.767 1.00 32.53 C ATOM 0 H ILE A 29 -10.728 -1.954 10.915 1.00 1.42 H new ATOM 0 HA ILE A 29 -8.822 -4.056 10.812 1.00 32.43 H new ATOM 0 HB ILE A 29 -9.533 -1.916 12.789 1.00 71.42 H new ATOM 0 HG12 ILE A 29 -8.343 -1.162 10.809 1.00 50.50 H new ATOM 0 HG13 ILE A 29 -7.255 -1.079 12.181 1.00 50.50 H new ATOM 0 HG21 ILE A 29 -7.568 -2.481 14.143 1.00 22.43 H new ATOM 0 HG22 ILE A 29 -8.830 -3.734 14.192 1.00 22.43 H new ATOM 0 HG23 ILE A 29 -7.369 -3.981 13.206 1.00 22.43 H new ATOM 0 HD11 ILE A 29 -6.103 -1.959 10.201 1.00 32.53 H new ATOM 0 HD12 ILE A 29 -6.183 -3.199 11.476 1.00 32.53 H new ATOM 0 HD13 ILE A 29 -7.288 -3.282 10.082 1.00 32.53 H new ATOM 246 N ASP A 30 -11.464 -4.552 12.586 1.00 52.00 N ATOM 247 CA ASP A 30 -12.259 -5.547 13.288 1.00 23.22 C ATOM 248 C ASP A 30 -12.400 -6.777 12.451 1.00 72.22 C ATOM 249 O ASP A 30 -12.098 -7.869 12.916 1.00 73.14 O ATOM 250 CB ASP A 30 -13.637 -4.987 13.654 1.00 1.34 C ATOM 251 CG ASP A 30 -14.491 -5.947 14.432 1.00 55.55 C ATOM 252 OD1 ASP A 30 -14.195 -6.178 15.630 1.00 44.41 O ATOM 253 OD2 ASP A 30 -15.505 -6.452 13.895 1.00 43.24 O ATOM 0 H ASP A 30 -11.979 -3.698 12.371 1.00 52.00 H new ATOM 0 HA ASP A 30 -11.744 -5.808 14.213 1.00 23.22 H new ATOM 0 HB2 ASP A 30 -13.506 -4.076 14.238 1.00 1.34 H new ATOM 0 HB3 ASP A 30 -14.160 -4.707 12.740 1.00 1.34 H new ATOM 258 N LEU A 31 -12.762 -6.606 11.189 1.00 51.32 N ATOM 259 CA LEU A 31 -12.942 -7.746 10.334 1.00 64.41 C ATOM 260 C LEU A 31 -11.578 -8.412 10.045 1.00 12.14 C ATOM 261 O LEU A 31 -11.491 -9.617 9.816 1.00 54.50 O ATOM 262 CB LEU A 31 -13.732 -7.363 9.067 1.00 0.34 C ATOM 263 CG LEU A 31 -13.081 -6.383 8.113 1.00 45.51 C ATOM 264 CD1 LEU A 31 -12.073 -7.076 7.229 1.00 14.43 C ATOM 265 CD2 LEU A 31 -14.118 -5.636 7.313 1.00 31.40 C ATOM 0 H LEU A 31 -12.932 -5.702 10.749 1.00 51.32 H new ATOM 0 HA LEU A 31 -13.550 -8.495 10.841 1.00 64.41 H new ATOM 0 HB2 LEU A 31 -13.949 -8.278 8.515 1.00 0.34 H new ATOM 0 HB3 LEU A 31 -14.689 -6.945 9.379 1.00 0.34 H new ATOM 0 HG LEU A 31 -12.537 -5.644 8.702 1.00 45.51 H new ATOM 0 HD11 LEU A 31 -11.621 -6.349 6.554 1.00 14.43 H new ATOM 0 HD12 LEU A 31 -11.298 -7.529 7.847 1.00 14.43 H new ATOM 0 HD13 LEU A 31 -12.572 -7.851 6.647 1.00 14.43 H new ATOM 0 HD21 LEU A 31 -13.623 -4.939 6.636 1.00 31.40 H new ATOM 0 HD22 LEU A 31 -14.711 -6.344 6.735 1.00 31.40 H new ATOM 0 HD23 LEU A 31 -14.771 -5.084 7.989 1.00 31.40 H new ATOM 277 N VAL A 32 -10.512 -7.608 10.071 1.00 34.12 N ATOM 278 CA VAL A 32 -9.162 -8.120 9.917 1.00 42.33 C ATOM 279 C VAL A 32 -8.702 -8.877 11.204 1.00 30.23 C ATOM 280 O VAL A 32 -7.841 -9.764 11.153 1.00 33.53 O ATOM 281 CB VAL A 32 -8.167 -6.954 9.557 1.00 41.40 C ATOM 282 CG1 VAL A 32 -6.718 -7.418 9.542 1.00 61.22 C ATOM 283 CG2 VAL A 32 -8.512 -6.364 8.195 1.00 71.44 C ATOM 0 H VAL A 32 -10.566 -6.597 10.198 1.00 34.12 H new ATOM 0 HA VAL A 32 -9.158 -8.835 9.094 1.00 42.33 H new ATOM 0 HB VAL A 32 -8.275 -6.197 10.333 1.00 41.40 H new ATOM 0 HG11 VAL A 32 -6.070 -6.579 9.289 1.00 61.22 H new ATOM 0 HG12 VAL A 32 -6.448 -7.801 10.526 1.00 61.22 H new ATOM 0 HG13 VAL A 32 -6.596 -8.207 8.800 1.00 61.22 H new ATOM 0 HG21 VAL A 32 -7.815 -5.559 7.960 1.00 71.44 H new ATOM 0 HG22 VAL A 32 -8.440 -7.140 7.433 1.00 71.44 H new ATOM 0 HG23 VAL A 32 -9.528 -5.970 8.216 1.00 71.44 H new ATOM 293 N THR A 33 -9.323 -8.582 12.336 1.00 31.40 N ATOM 294 CA THR A 33 -8.897 -9.165 13.597 1.00 74.44 C ATOM 295 C THR A 33 -9.879 -10.211 14.097 1.00 32.12 C ATOM 296 O THR A 33 -9.838 -10.606 15.267 1.00 64.53 O ATOM 297 CB THR A 33 -8.663 -8.078 14.673 1.00 1.14 C ATOM 298 OG1 THR A 33 -9.796 -7.189 14.738 1.00 72.40 O ATOM 299 CG2 THR A 33 -7.406 -7.281 14.355 1.00 71.22 C ATOM 0 H THR A 33 -10.118 -7.947 12.407 1.00 31.40 H new ATOM 0 HA THR A 33 -7.947 -9.665 13.408 1.00 74.44 H new ATOM 0 HB THR A 33 -8.538 -8.570 15.638 1.00 1.14 H new ATOM 0 HG1 THR A 33 -9.777 -6.579 13.971 1.00 72.40 H new ATOM 0 HG21 THR A 33 -7.254 -6.520 15.121 1.00 71.22 H new ATOM 0 HG22 THR A 33 -6.546 -7.951 14.334 1.00 71.22 H new ATOM 0 HG23 THR A 33 -7.516 -6.801 13.383 1.00 71.22 H new ATOM 307 N LYS A 34 -10.748 -10.656 13.207 1.00 34.23 N ATOM 308 CA LYS A 34 -11.723 -11.690 13.502 1.00 21.55 C ATOM 309 C LYS A 34 -11.093 -13.006 14.004 1.00 13.20 C ATOM 310 O LYS A 34 -9.887 -13.265 13.829 1.00 32.04 O ATOM 311 CB LYS A 34 -12.605 -11.942 12.285 1.00 60.34 C ATOM 312 CG LYS A 34 -13.487 -10.775 11.906 1.00 41.24 C ATOM 313 CD LYS A 34 -14.498 -10.405 12.988 1.00 63.11 C ATOM 314 CE LYS A 34 -15.571 -11.467 13.165 1.00 74.14 C ATOM 315 NZ LYS A 34 -16.509 -11.123 14.254 1.00 64.23 N ATOM 0 H LYS A 34 -10.797 -10.306 12.250 1.00 34.23 H new ATOM 0 HA LYS A 34 -12.333 -11.318 14.325 1.00 21.55 H new ATOM 0 HB2 LYS A 34 -11.970 -12.193 11.436 1.00 60.34 H new ATOM 0 HB3 LYS A 34 -13.234 -12.810 12.480 1.00 60.34 H new ATOM 0 HG2 LYS A 34 -12.860 -9.909 11.693 1.00 41.24 H new ATOM 0 HG3 LYS A 34 -14.021 -11.016 10.987 1.00 41.24 H new ATOM 0 HD2 LYS A 34 -13.977 -10.258 13.934 1.00 63.11 H new ATOM 0 HD3 LYS A 34 -14.969 -9.456 12.732 1.00 63.11 H new ATOM 0 HE2 LYS A 34 -16.124 -11.584 12.233 1.00 74.14 H new ATOM 0 HE3 LYS A 34 -15.101 -12.427 13.380 1.00 74.14 H new ATOM 0 HZ1 LYS A 34 -17.226 -11.871 14.344 1.00 64.23 H new ATOM 0 HZ2 LYS A 34 -15.986 -11.036 15.148 1.00 64.23 H new ATOM 0 HZ3 LYS A 34 -16.977 -10.220 14.037 1.00 64.23 H new ATOM 329 N SER A 35 -11.930 -13.810 14.615 1.00 41.24 N ATOM 330 CA SER A 35 -11.588 -15.067 15.217 1.00 1.34 C ATOM 331 C SER A 35 -11.242 -16.133 14.159 1.00 12.51 C ATOM 332 O SER A 35 -11.456 -15.921 12.953 1.00 23.40 O ATOM 333 CB SER A 35 -12.804 -15.484 16.057 1.00 53.41 C ATOM 334 OG SER A 35 -13.996 -15.340 15.302 1.00 64.21 O ATOM 0 H SER A 35 -12.921 -13.588 14.708 1.00 41.24 H new ATOM 0 HA SER A 35 -10.696 -14.970 15.836 1.00 1.34 H new ATOM 0 HB2 SER A 35 -12.693 -16.519 16.381 1.00 53.41 H new ATOM 0 HB3 SER A 35 -12.860 -14.872 16.958 1.00 53.41 H new ATOM 0 HG SER A 35 -14.764 -15.611 15.848 1.00 64.21 H new ATOM 340 N PRO A 36 -10.691 -17.305 14.584 1.00 41.10 N ATOM 341 CA PRO A 36 -10.394 -18.429 13.679 1.00 13.33 C ATOM 342 C PRO A 36 -11.660 -19.018 13.060 1.00 65.43 C ATOM 343 O PRO A 36 -11.600 -19.869 12.176 1.00 75.34 O ATOM 344 CB PRO A 36 -9.696 -19.467 14.573 1.00 62.23 C ATOM 345 CG PRO A 36 -10.029 -19.079 15.967 1.00 24.41 C ATOM 346 CD PRO A 36 -10.244 -17.594 15.960 1.00 23.14 C ATOM 0 HA PRO A 36 -9.780 -18.112 12.837 1.00 13.33 H new ATOM 0 HB2 PRO A 36 -10.047 -20.475 14.352 1.00 62.23 H new ATOM 0 HB3 PRO A 36 -8.618 -19.462 14.411 1.00 62.23 H new ATOM 0 HG2 PRO A 36 -10.924 -19.598 16.310 1.00 24.41 H new ATOM 0 HG3 PRO A 36 -9.222 -19.350 16.648 1.00 24.41 H new ATOM 0 HD2 PRO A 36 -10.993 -17.296 16.694 1.00 23.14 H new ATOM 0 HD3 PRO A 36 -9.327 -17.057 16.203 1.00 23.14 H new ATOM 354 N ASP A 37 -12.800 -18.550 13.535 1.00 34.01 N ATOM 355 CA ASP A 37 -14.088 -18.985 13.010 1.00 30.10 C ATOM 356 C ASP A 37 -14.328 -18.359 11.640 1.00 42.12 C ATOM 357 O ASP A 37 -14.994 -18.940 10.779 1.00 64.52 O ATOM 358 CB ASP A 37 -15.216 -18.582 13.965 1.00 11.13 C ATOM 359 CG ASP A 37 -16.585 -18.989 13.460 1.00 64.23 C ATOM 360 OD1 ASP A 37 -17.285 -18.149 12.854 1.00 5.22 O ATOM 361 OD2 ASP A 37 -16.989 -20.155 13.670 1.00 13.13 O ATOM 0 H ASP A 37 -12.863 -17.865 14.288 1.00 34.01 H new ATOM 0 HA ASP A 37 -14.077 -20.071 12.915 1.00 30.10 H new ATOM 0 HB2 ASP A 37 -15.042 -19.039 14.939 1.00 11.13 H new ATOM 0 HB3 ASP A 37 -15.194 -17.502 14.111 1.00 11.13 H new ATOM 366 N SER A 38 -13.729 -17.210 11.428 1.00 51.03 N ATOM 367 CA SER A 38 -13.839 -16.507 10.184 1.00 33.31 C ATOM 368 C SER A 38 -12.833 -17.083 9.187 1.00 33.14 C ATOM 369 O SER A 38 -11.611 -16.985 9.376 1.00 74.13 O ATOM 370 CB SER A 38 -13.607 -15.020 10.429 1.00 70.13 C ATOM 371 OG SER A 38 -14.525 -14.537 11.411 1.00 74.52 O ATOM 0 H SER A 38 -13.149 -16.739 12.123 1.00 51.03 H new ATOM 0 HA SER A 38 -14.836 -16.628 9.761 1.00 33.31 H new ATOM 0 HB2 SER A 38 -12.583 -14.854 10.764 1.00 70.13 H new ATOM 0 HB3 SER A 38 -13.732 -14.466 9.499 1.00 70.13 H new ATOM 0 HG SER A 38 -14.843 -13.647 11.152 1.00 74.52 H new ATOM 377 N VAL A 39 -13.356 -17.710 8.159 1.00 25.32 N ATOM 378 CA VAL A 39 -12.548 -18.407 7.178 1.00 40.01 C ATOM 379 C VAL A 39 -11.706 -17.462 6.298 1.00 11.52 C ATOM 380 O VAL A 39 -10.569 -17.804 5.906 1.00 42.11 O ATOM 381 CB VAL A 39 -13.422 -19.358 6.290 1.00 71.14 C ATOM 382 CG1 VAL A 39 -14.504 -18.589 5.535 1.00 32.21 C ATOM 383 CG2 VAL A 39 -12.558 -20.161 5.323 1.00 23.12 C ATOM 0 H VAL A 39 -14.359 -17.753 7.976 1.00 25.32 H new ATOM 0 HA VAL A 39 -11.843 -19.011 7.749 1.00 40.01 H new ATOM 0 HB VAL A 39 -13.919 -20.057 6.963 1.00 71.14 H new ATOM 0 HG11 VAL A 39 -15.089 -19.283 4.931 1.00 32.21 H new ATOM 0 HG12 VAL A 39 -15.159 -18.088 6.248 1.00 32.21 H new ATOM 0 HG13 VAL A 39 -14.038 -17.847 4.887 1.00 32.21 H new ATOM 0 HG21 VAL A 39 -13.193 -20.811 4.721 1.00 23.12 H new ATOM 0 HG22 VAL A 39 -12.014 -19.479 4.669 1.00 23.12 H new ATOM 0 HG23 VAL A 39 -11.849 -20.767 5.886 1.00 23.12 H new ATOM 393 N ASN A 40 -12.210 -16.285 6.014 1.00 51.13 N ATOM 394 CA ASN A 40 -11.510 -15.416 5.099 1.00 74.21 C ATOM 395 C ASN A 40 -11.805 -13.961 5.437 1.00 23.14 C ATOM 396 O ASN A 40 -12.791 -13.382 4.971 1.00 44.54 O ATOM 397 CB ASN A 40 -11.957 -15.737 3.670 1.00 5.43 C ATOM 398 CG ASN A 40 -10.931 -15.423 2.597 1.00 52.12 C ATOM 399 OD1 ASN A 40 -11.280 -15.024 1.503 1.00 73.24 O ATOM 400 ND2 ASN A 40 -9.686 -15.697 2.855 1.00 63.24 N ATOM 0 H ASN A 40 -13.081 -15.913 6.393 1.00 51.13 H new ATOM 0 HA ASN A 40 -10.435 -15.575 5.184 1.00 74.21 H new ATOM 0 HB2 ASN A 40 -12.210 -16.796 3.613 1.00 5.43 H new ATOM 0 HB3 ASN A 40 -12.869 -15.179 3.456 1.00 5.43 H new ATOM 0 HD21 ASN A 40 -8.977 -15.578 2.131 1.00 63.24 H new ATOM 0 HD22 ASN A 40 -9.419 -16.030 3.781 1.00 63.24 H new ATOM 407 N SER A 41 -10.942 -13.374 6.226 1.00 21.32 N ATOM 408 CA SER A 41 -11.122 -12.026 6.727 1.00 54.23 C ATOM 409 C SER A 41 -11.025 -11.036 5.582 1.00 42.54 C ATOM 410 O SER A 41 -11.694 -10.002 5.562 1.00 44.23 O ATOM 411 CB SER A 41 -10.064 -11.741 7.783 1.00 13.01 C ATOM 412 OG SER A 41 -10.106 -12.737 8.799 1.00 41.14 O ATOM 0 H SER A 41 -10.082 -13.820 6.545 1.00 21.32 H new ATOM 0 HA SER A 41 -12.108 -11.925 7.181 1.00 54.23 H new ATOM 0 HB2 SER A 41 -9.076 -11.721 7.323 1.00 13.01 H new ATOM 0 HB3 SER A 41 -10.232 -10.757 8.221 1.00 13.01 H new ATOM 0 HG SER A 41 -9.421 -12.546 9.473 1.00 41.14 H new ATOM 418 N GLU A 42 -10.243 -11.400 4.596 1.00 4.43 N ATOM 419 CA GLU A 42 -10.071 -10.618 3.431 1.00 5.04 C ATOM 420 C GLU A 42 -11.300 -10.639 2.547 1.00 4.20 C ATOM 421 O GLU A 42 -11.499 -9.741 1.736 1.00 25.41 O ATOM 422 CB GLU A 42 -8.775 -10.938 2.684 1.00 25.25 C ATOM 423 CG GLU A 42 -8.425 -12.408 2.505 1.00 75.15 C ATOM 424 CD GLU A 42 -7.854 -13.026 3.770 1.00 14.23 C ATOM 425 OE1 GLU A 42 -6.636 -12.974 3.976 1.00 43.21 O ATOM 426 OE2 GLU A 42 -8.634 -13.588 4.576 1.00 22.44 O ATOM 0 H GLU A 42 -9.705 -12.267 4.596 1.00 4.43 H new ATOM 0 HA GLU A 42 -9.956 -9.585 3.761 1.00 5.04 H new ATOM 0 HB2 GLU A 42 -8.832 -10.481 1.696 1.00 25.25 H new ATOM 0 HB3 GLU A 42 -7.952 -10.456 3.212 1.00 25.25 H new ATOM 0 HG2 GLU A 42 -9.318 -12.957 2.207 1.00 75.15 H new ATOM 0 HG3 GLU A 42 -7.702 -12.511 1.696 1.00 75.15 H new ATOM 433 N HIS A 43 -12.146 -11.639 2.730 1.00 41.31 N ATOM 434 CA HIS A 43 -13.415 -11.687 2.008 1.00 73.44 C ATOM 435 C HIS A 43 -14.296 -10.587 2.554 1.00 53.14 C ATOM 436 O HIS A 43 -14.883 -9.801 1.806 1.00 22.32 O ATOM 437 CB HIS A 43 -14.117 -13.057 2.151 1.00 71.34 C ATOM 438 CG HIS A 43 -15.459 -13.140 1.455 1.00 62.31 C ATOM 439 ND1 HIS A 43 -16.656 -13.312 2.117 1.00 50.34 N ATOM 440 CD2 HIS A 43 -15.770 -13.076 0.135 1.00 35.31 C ATOM 441 CE1 HIS A 43 -17.633 -13.345 1.208 1.00 61.41 C ATOM 442 NE2 HIS A 43 -17.150 -13.203 -0.018 1.00 24.25 N ATOM 0 H HIS A 43 -11.984 -12.422 3.364 1.00 41.31 H new ATOM 0 HA HIS A 43 -13.226 -11.546 0.944 1.00 73.44 H new ATOM 0 HB2 HIS A 43 -13.463 -13.832 1.750 1.00 71.34 H new ATOM 0 HB3 HIS A 43 -14.255 -13.273 3.210 1.00 71.34 H new ATOM 0 HD2 HIS A 43 -15.061 -12.947 -0.669 1.00 35.31 H new ATOM 0 HE1 HIS A 43 -18.680 -13.471 1.441 1.00 61.41 H new ATOM 0 HE2 HIS A 43 -17.678 -13.189 -0.891 1.00 24.25 H new ATOM 450 N GLU A 44 -14.322 -10.495 3.867 1.00 33.20 N ATOM 451 CA GLU A 44 -15.087 -9.484 4.551 1.00 60.52 C ATOM 452 C GLU A 44 -14.475 -8.118 4.317 1.00 13.41 C ATOM 453 O GLU A 44 -15.166 -7.099 4.334 1.00 12.11 O ATOM 454 CB GLU A 44 -15.184 -9.809 6.028 1.00 12.32 C ATOM 455 CG GLU A 44 -15.830 -11.148 6.265 1.00 3.12 C ATOM 456 CD GLU A 44 -16.063 -11.457 7.713 1.00 65.25 C ATOM 457 OE1 GLU A 44 -15.371 -12.336 8.255 1.00 0.22 O ATOM 458 OE2 GLU A 44 -16.963 -10.836 8.336 1.00 24.31 O ATOM 0 H GLU A 44 -13.811 -11.122 4.488 1.00 33.20 H new ATOM 0 HA GLU A 44 -16.100 -9.467 4.149 1.00 60.52 H new ATOM 0 HB2 GLU A 44 -14.187 -9.804 6.467 1.00 12.32 H new ATOM 0 HB3 GLU A 44 -15.759 -9.033 6.534 1.00 12.32 H new ATOM 0 HG2 GLU A 44 -16.784 -11.180 5.738 1.00 3.12 H new ATOM 0 HG3 GLU A 44 -15.201 -11.926 5.833 1.00 3.12 H new ATOM 465 N LEU A 45 -13.187 -8.110 4.069 1.00 73.22 N ATOM 466 CA LEU A 45 -12.482 -6.911 3.732 1.00 10.22 C ATOM 467 C LEU A 45 -12.893 -6.450 2.343 1.00 30.33 C ATOM 468 O LEU A 45 -13.221 -5.291 2.147 1.00 20.41 O ATOM 469 CB LEU A 45 -10.980 -7.125 3.787 1.00 71.33 C ATOM 470 CG LEU A 45 -10.158 -5.882 3.539 1.00 14.41 C ATOM 471 CD1 LEU A 45 -10.446 -4.848 4.599 1.00 21.42 C ATOM 472 CD2 LEU A 45 -8.681 -6.203 3.459 1.00 11.21 C ATOM 0 H LEU A 45 -12.601 -8.944 4.097 1.00 73.22 H new ATOM 0 HA LEU A 45 -12.739 -6.143 4.462 1.00 10.22 H new ATOM 0 HB2 LEU A 45 -10.719 -7.528 4.766 1.00 71.33 H new ATOM 0 HB3 LEU A 45 -10.706 -7.879 3.049 1.00 71.33 H new ATOM 0 HG LEU A 45 -10.444 -5.467 2.572 1.00 14.41 H new ATOM 0 HD11 LEU A 45 -9.848 -3.957 4.410 1.00 21.42 H new ATOM 0 HD12 LEU A 45 -11.504 -4.587 4.575 1.00 21.42 H new ATOM 0 HD13 LEU A 45 -10.195 -5.252 5.580 1.00 21.42 H new ATOM 0 HD21 LEU A 45 -8.119 -5.287 3.280 1.00 11.21 H new ATOM 0 HD22 LEU A 45 -8.355 -6.651 4.397 1.00 11.21 H new ATOM 0 HD23 LEU A 45 -8.504 -6.903 2.642 1.00 11.21 H new ATOM 484 N ALA A 46 -12.912 -7.380 1.395 1.00 12.44 N ATOM 485 CA ALA A 46 -13.338 -7.101 0.025 1.00 43.12 C ATOM 486 C ALA A 46 -14.803 -6.688 0.007 1.00 61.13 C ATOM 487 O ALA A 46 -15.254 -5.973 -0.874 1.00 11.22 O ATOM 488 CB ALA A 46 -13.116 -8.322 -0.861 1.00 4.14 C ATOM 0 H ALA A 46 -12.633 -8.348 1.552 1.00 12.44 H new ATOM 0 HA ALA A 46 -12.739 -6.280 -0.368 1.00 43.12 H new ATOM 0 HB1 ALA A 46 -13.438 -8.097 -1.878 1.00 4.14 H new ATOM 0 HB2 ALA A 46 -12.057 -8.581 -0.865 1.00 4.14 H new ATOM 0 HB3 ALA A 46 -13.693 -9.162 -0.475 1.00 4.14 H new ATOM 494 N HIS A 47 -15.519 -7.163 0.988 1.00 61.20 N ATOM 495 CA HIS A 47 -16.917 -6.832 1.203 1.00 72.40 C ATOM 496 C HIS A 47 -17.030 -5.407 1.751 1.00 20.01 C ATOM 497 O HIS A 47 -17.923 -4.647 1.373 1.00 44.43 O ATOM 498 CB HIS A 47 -17.521 -7.843 2.197 1.00 33.32 C ATOM 499 CG HIS A 47 -18.969 -7.656 2.509 1.00 23.34 C ATOM 500 ND1 HIS A 47 -19.448 -7.148 3.704 1.00 71.43 N ATOM 501 CD2 HIS A 47 -20.051 -7.954 1.770 1.00 70.21 C ATOM 502 CE1 HIS A 47 -20.782 -7.159 3.644 1.00 11.12 C ATOM 503 NE2 HIS A 47 -21.200 -7.642 2.484 1.00 50.13 N ATOM 0 H HIS A 47 -15.145 -7.809 1.683 1.00 61.20 H new ATOM 0 HA HIS A 47 -17.464 -6.884 0.262 1.00 72.40 H new ATOM 0 HB2 HIS A 47 -17.381 -8.847 1.796 1.00 33.32 H new ATOM 0 HB3 HIS A 47 -16.957 -7.790 3.129 1.00 33.32 H new ATOM 0 HD2 HIS A 47 -20.030 -8.372 0.774 1.00 70.21 H new ATOM 0 HE1 HIS A 47 -21.433 -6.819 4.436 1.00 11.12 H new ATOM 0 HE2 HIS A 47 -22.166 -7.760 2.178 1.00 50.13 H new ATOM 511 N PHE A 48 -16.108 -5.059 2.620 1.00 31.24 N ATOM 512 CA PHE A 48 -16.070 -3.770 3.247 1.00 44.54 C ATOM 513 C PHE A 48 -15.688 -2.700 2.237 1.00 13.05 C ATOM 514 O PHE A 48 -16.377 -1.690 2.083 1.00 24.34 O ATOM 515 CB PHE A 48 -15.044 -3.824 4.369 1.00 43.11 C ATOM 516 CG PHE A 48 -14.863 -2.556 5.103 1.00 11.23 C ATOM 517 CD1 PHE A 48 -15.711 -2.226 6.119 1.00 12.22 C ATOM 518 CD2 PHE A 48 -13.837 -1.699 4.777 1.00 54.24 C ATOM 519 CE1 PHE A 48 -15.550 -1.060 6.811 1.00 14.20 C ATOM 520 CE2 PHE A 48 -13.667 -0.527 5.462 1.00 3.24 C ATOM 521 CZ PHE A 48 -14.528 -0.212 6.483 1.00 2.33 C ATOM 0 H PHE A 48 -15.353 -5.680 2.912 1.00 31.24 H new ATOM 0 HA PHE A 48 -17.053 -3.518 3.645 1.00 44.54 H new ATOM 0 HB2 PHE A 48 -15.340 -4.598 5.077 1.00 43.11 H new ATOM 0 HB3 PHE A 48 -14.084 -4.126 3.950 1.00 43.11 H new ATOM 0 HD1 PHE A 48 -16.519 -2.894 6.379 1.00 12.22 H new ATOM 0 HD2 PHE A 48 -13.161 -1.953 3.974 1.00 54.24 H new ATOM 0 HE1 PHE A 48 -16.227 -0.808 7.614 1.00 14.20 H new ATOM 0 HE2 PHE A 48 -12.862 0.144 5.201 1.00 3.24 H new ATOM 0 HZ PHE A 48 -14.398 0.710 7.030 1.00 2.33 H new ATOM 531 N LEU A 49 -14.603 -2.943 1.545 1.00 72.25 N ATOM 532 CA LEU A 49 -14.071 -1.995 0.597 1.00 21.20 C ATOM 533 C LEU A 49 -14.778 -2.078 -0.739 1.00 64.15 C ATOM 534 O LEU A 49 -14.520 -1.283 -1.594 1.00 63.35 O ATOM 535 CB LEU A 49 -12.544 -2.190 0.435 1.00 61.23 C ATOM 536 CG LEU A 49 -12.058 -3.575 -0.053 1.00 3.31 C ATOM 537 CD1 LEU A 49 -12.317 -3.805 -1.535 1.00 44.30 C ATOM 538 CD2 LEU A 49 -10.606 -3.778 0.272 1.00 25.23 C ATOM 0 H LEU A 49 -14.063 -3.805 1.623 1.00 72.25 H new ATOM 0 HA LEU A 49 -14.251 -0.995 0.991 1.00 21.20 H new ATOM 0 HB2 LEU A 49 -12.179 -1.438 -0.265 1.00 61.23 H new ATOM 0 HB3 LEU A 49 -12.073 -1.986 1.397 1.00 61.23 H new ATOM 0 HG LEU A 49 -12.646 -4.318 0.486 1.00 3.31 H new ATOM 0 HD11 LEU A 49 -11.955 -4.793 -1.819 1.00 44.30 H new ATOM 0 HD12 LEU A 49 -13.387 -3.741 -1.732 1.00 44.30 H new ATOM 0 HD13 LEU A 49 -11.795 -3.046 -2.118 1.00 44.30 H new ATOM 0 HD21 LEU A 49 -10.288 -4.759 -0.081 1.00 25.23 H new ATOM 0 HD22 LEU A 49 -10.012 -3.006 -0.217 1.00 25.23 H new ATOM 0 HD23 LEU A 49 -10.463 -3.717 1.351 1.00 25.23 H new ATOM 550 N GLY A 50 -15.632 -3.080 -0.900 1.00 22.50 N ATOM 551 CA GLY A 50 -16.376 -3.302 -2.156 1.00 52.40 C ATOM 552 C GLY A 50 -16.963 -2.028 -2.774 1.00 52.20 C ATOM 553 O GLY A 50 -16.604 -1.673 -3.903 1.00 71.23 O ATOM 0 H GLY A 50 -15.836 -3.766 -0.173 1.00 22.50 H new ATOM 0 HA2 GLY A 50 -15.710 -3.770 -2.881 1.00 52.40 H new ATOM 0 HA3 GLY A 50 -17.186 -4.006 -1.965 1.00 52.40 H new ATOM 557 N PRO A 51 -17.851 -1.307 -2.063 1.00 41.12 N ATOM 558 CA PRO A 51 -18.425 -0.048 -2.560 1.00 50.51 C ATOM 559 C PRO A 51 -17.440 1.122 -2.437 1.00 40.20 C ATOM 560 O PRO A 51 -17.689 2.223 -2.918 1.00 73.33 O ATOM 561 CB PRO A 51 -19.629 0.199 -1.638 1.00 43.23 C ATOM 562 CG PRO A 51 -19.747 -1.010 -0.770 1.00 73.40 C ATOM 563 CD PRO A 51 -18.415 -1.673 -0.756 1.00 50.51 C ATOM 0 HA PRO A 51 -18.683 -0.117 -3.617 1.00 50.51 H new ATOM 0 HB2 PRO A 51 -19.481 1.096 -1.037 1.00 43.23 H new ATOM 0 HB3 PRO A 51 -20.539 0.351 -2.219 1.00 43.23 H new ATOM 0 HG2 PRO A 51 -20.048 -0.731 0.240 1.00 73.40 H new ATOM 0 HG3 PRO A 51 -20.510 -1.687 -1.155 1.00 73.40 H new ATOM 0 HD2 PRO A 51 -17.795 -1.316 0.066 1.00 50.51 H new ATOM 0 HD3 PRO A 51 -18.503 -2.753 -0.642 1.00 50.51 H new ATOM 571 N HIS A 52 -16.317 0.867 -1.807 1.00 41.15 N ATOM 572 CA HIS A 52 -15.331 1.895 -1.536 1.00 1.22 C ATOM 573 C HIS A 52 -14.106 1.642 -2.392 1.00 2.22 C ATOM 574 O HIS A 52 -13.027 2.144 -2.105 1.00 62.32 O ATOM 575 CB HIS A 52 -14.935 1.894 -0.039 1.00 32.01 C ATOM 576 CG HIS A 52 -16.054 2.210 0.932 1.00 53.50 C ATOM 577 ND1 HIS A 52 -16.101 3.345 1.719 1.00 14.54 N ATOM 578 CD2 HIS A 52 -17.158 1.496 1.256 1.00 73.33 C ATOM 579 CE1 HIS A 52 -17.201 3.286 2.470 1.00 31.33 C ATOM 580 NE2 HIS A 52 -17.882 2.181 2.228 1.00 51.44 N ATOM 0 H HIS A 52 -16.058 -0.059 -1.466 1.00 41.15 H new ATOM 0 HA HIS A 52 -15.758 2.869 -1.775 1.00 1.22 H new ATOM 0 HB2 HIS A 52 -14.527 0.914 0.210 1.00 32.01 H new ATOM 0 HB3 HIS A 52 -14.135 2.619 0.108 1.00 32.01 H new ATOM 0 HD2 HIS A 52 -17.434 0.544 0.827 1.00 73.33 H new ATOM 0 HE1 HIS A 52 -17.496 4.042 3.182 1.00 31.33 H new ATOM 0 HE2 HIS A 52 -18.757 1.890 2.663 1.00 51.44 H new ATOM 588 N ASP A 53 -14.317 0.860 -3.453 1.00 32.31 N ATOM 589 CA ASP A 53 -13.296 0.421 -4.382 1.00 2.01 C ATOM 590 C ASP A 53 -12.524 1.569 -5.037 1.00 21.33 C ATOM 591 O ASP A 53 -13.079 2.337 -5.845 1.00 60.51 O ATOM 592 CB ASP A 53 -13.945 -0.445 -5.442 1.00 63.24 C ATOM 593 CG ASP A 53 -12.993 -0.860 -6.510 1.00 34.12 C ATOM 594 OD1 ASP A 53 -13.193 -0.471 -7.680 1.00 71.04 O ATOM 595 OD2 ASP A 53 -12.054 -1.603 -6.215 1.00 22.45 O ATOM 0 H ASP A 53 -15.244 0.506 -3.690 1.00 32.31 H new ATOM 0 HA ASP A 53 -12.558 -0.144 -3.812 1.00 2.01 H new ATOM 0 HB2 ASP A 53 -14.366 -1.334 -4.971 1.00 63.24 H new ATOM 0 HB3 ASP A 53 -14.774 0.100 -5.893 1.00 63.24 H new ATOM 600 N PRO A 54 -11.250 1.722 -4.666 1.00 11.22 N ATOM 601 CA PRO A 54 -10.369 2.723 -5.210 1.00 42.22 C ATOM 602 C PRO A 54 -9.339 2.077 -6.163 1.00 40.31 C ATOM 603 O PRO A 54 -9.601 1.035 -6.763 1.00 42.30 O ATOM 604 CB PRO A 54 -9.687 3.181 -3.931 1.00 11.24 C ATOM 605 CG PRO A 54 -9.489 1.912 -3.144 1.00 63.11 C ATOM 606 CD PRO A 54 -10.549 0.942 -3.627 1.00 20.04 C ATOM 0 HA PRO A 54 -10.855 3.507 -5.791 1.00 42.22 H new ATOM 0 HB2 PRO A 54 -8.737 3.672 -4.140 1.00 11.24 H new ATOM 0 HB3 PRO A 54 -10.302 3.896 -3.385 1.00 11.24 H new ATOM 0 HG2 PRO A 54 -8.490 1.507 -3.304 1.00 63.11 H new ATOM 0 HG3 PRO A 54 -9.590 2.098 -2.075 1.00 63.11 H new ATOM 0 HD2 PRO A 54 -10.110 0.030 -4.032 1.00 20.04 H new ATOM 0 HD3 PRO A 54 -11.221 0.642 -2.823 1.00 20.04 H new ATOM 614 N GLU A 55 -8.178 2.681 -6.296 1.00 33.22 N ATOM 615 CA GLU A 55 -7.134 2.107 -7.098 1.00 42.41 C ATOM 616 C GLU A 55 -6.418 1.075 -6.281 1.00 54.40 C ATOM 617 O GLU A 55 -5.970 1.354 -5.166 1.00 1.32 O ATOM 618 CB GLU A 55 -6.190 3.182 -7.606 1.00 72.53 C ATOM 619 CG GLU A 55 -6.860 4.128 -8.572 1.00 71.42 C ATOM 620 CD GLU A 55 -5.957 5.200 -9.084 1.00 34.51 C ATOM 621 OE1 GLU A 55 -5.096 4.916 -9.939 1.00 21.15 O ATOM 622 OE2 GLU A 55 -6.116 6.370 -8.677 1.00 5.32 O ATOM 0 H GLU A 55 -7.939 3.570 -5.856 1.00 33.22 H new ATOM 0 HA GLU A 55 -7.561 1.627 -7.979 1.00 42.41 H new ATOM 0 HB2 GLU A 55 -5.799 3.748 -6.760 1.00 72.53 H new ATOM 0 HB3 GLU A 55 -5.338 2.711 -8.095 1.00 72.53 H new ATOM 0 HG2 GLU A 55 -7.247 3.557 -9.416 1.00 71.42 H new ATOM 0 HG3 GLU A 55 -7.716 4.590 -8.080 1.00 71.42 H new ATOM 629 N ILE A 56 -6.364 -0.115 -6.788 1.00 14.21 N ATOM 630 CA ILE A 56 -5.760 -1.199 -6.088 1.00 53.21 C ATOM 631 C ILE A 56 -4.470 -1.512 -6.783 1.00 42.22 C ATOM 632 O ILE A 56 -4.472 -1.973 -7.873 1.00 34.22 O ATOM 633 CB ILE A 56 -6.675 -2.439 -6.136 1.00 60.42 C ATOM 634 CG1 ILE A 56 -8.075 -2.075 -5.598 1.00 44.13 C ATOM 635 CG2 ILE A 56 -6.053 -3.546 -5.300 1.00 12.03 C ATOM 636 CD1 ILE A 56 -9.175 -3.042 -5.986 1.00 3.00 C ATOM 0 H ILE A 56 -6.740 -0.362 -7.704 1.00 14.21 H new ATOM 0 HA ILE A 56 -5.594 -0.932 -5.044 1.00 53.21 H new ATOM 0 HB ILE A 56 -6.781 -2.784 -7.165 1.00 60.42 H new ATOM 0 HG12 ILE A 56 -8.028 -2.018 -4.511 1.00 44.13 H new ATOM 0 HG13 ILE A 56 -8.340 -1.081 -5.958 1.00 44.13 H new ATOM 0 HG21 ILE A 56 -6.694 -4.427 -5.328 1.00 12.03 H new ATOM 0 HG22 ILE A 56 -5.072 -3.798 -5.702 1.00 12.03 H new ATOM 0 HG23 ILE A 56 -5.947 -3.208 -4.269 1.00 12.03 H new ATOM 0 HD11 ILE A 56 -10.122 -2.705 -5.563 1.00 3.00 H new ATOM 0 HD12 ILE A 56 -9.257 -3.083 -7.072 1.00 3.00 H new ATOM 0 HD13 ILE A 56 -8.939 -4.034 -5.602 1.00 3.00 H new ATOM 648 N TYR A 57 -3.394 -1.220 -6.190 1.00 43.34 N ATOM 649 CA TYR A 57 -2.140 -1.442 -6.832 1.00 32.55 C ATOM 650 C TYR A 57 -1.580 -2.748 -6.398 1.00 10.51 C ATOM 651 O TYR A 57 -1.692 -3.101 -5.251 1.00 14.31 O ATOM 652 CB TYR A 57 -1.174 -0.318 -6.503 1.00 2.25 C ATOM 653 CG TYR A 57 -1.640 1.033 -6.989 1.00 50.24 C ATOM 654 CD1 TYR A 57 -2.376 1.872 -6.164 1.00 71.55 C ATOM 655 CD2 TYR A 57 -1.354 1.467 -8.272 1.00 41.24 C ATOM 656 CE1 TYR A 57 -2.804 3.103 -6.602 1.00 63.12 C ATOM 657 CE2 TYR A 57 -1.788 2.705 -8.715 1.00 75.41 C ATOM 658 CZ TYR A 57 -2.509 3.513 -7.869 1.00 55.45 C ATOM 659 OH TYR A 57 -2.937 4.750 -8.288 1.00 11.42 O ATOM 0 H TYR A 57 -3.336 -0.822 -5.252 1.00 43.34 H new ATOM 0 HA TYR A 57 -2.291 -1.461 -7.911 1.00 32.55 H new ATOM 0 HB2 TYR A 57 -1.029 -0.278 -5.423 1.00 2.25 H new ATOM 0 HB3 TYR A 57 -0.204 -0.541 -6.947 1.00 2.25 H new ATOM 0 HD1 TYR A 57 -2.617 1.552 -5.161 1.00 71.55 H new ATOM 0 HD2 TYR A 57 -0.785 0.832 -8.936 1.00 41.24 H new ATOM 0 HE1 TYR A 57 -3.372 3.744 -5.944 1.00 63.12 H new ATOM 0 HE2 TYR A 57 -1.561 3.033 -9.719 1.00 75.41 H new ATOM 0 HH TYR A 57 -3.621 4.642 -8.982 1.00 11.42 H new ATOM 669 N VAL A 58 -1.021 -3.478 -7.303 1.00 2.41 N ATOM 670 CA VAL A 58 -0.364 -4.682 -6.942 1.00 44.31 C ATOM 671 C VAL A 58 0.958 -4.694 -7.641 1.00 62.35 C ATOM 672 O VAL A 58 1.022 -4.452 -8.845 1.00 42.42 O ATOM 673 CB VAL A 58 -1.198 -5.992 -7.222 1.00 71.03 C ATOM 674 CG1 VAL A 58 -1.180 -6.447 -8.668 1.00 12.13 C ATOM 675 CG2 VAL A 58 -0.782 -7.113 -6.295 1.00 62.12 C ATOM 0 H VAL A 58 -1.007 -3.259 -8.299 1.00 2.41 H new ATOM 0 HA VAL A 58 -0.234 -4.695 -5.860 1.00 44.31 H new ATOM 0 HB VAL A 58 -2.234 -5.724 -7.014 1.00 71.03 H new ATOM 0 HG11 VAL A 58 -1.777 -7.353 -8.772 1.00 12.13 H new ATOM 0 HG12 VAL A 58 -1.596 -5.663 -9.301 1.00 12.13 H new ATOM 0 HG13 VAL A 58 -0.154 -6.652 -8.972 1.00 12.13 H new ATOM 0 HG21 VAL A 58 -1.374 -8.003 -6.511 1.00 62.12 H new ATOM 0 HG22 VAL A 58 0.275 -7.335 -6.444 1.00 62.12 H new ATOM 0 HG23 VAL A 58 -0.947 -6.810 -5.261 1.00 62.12 H new ATOM 685 N ASN A 59 2.022 -4.807 -6.860 1.00 73.12 N ATOM 686 CA ASN A 59 3.408 -4.876 -7.375 1.00 55.45 C ATOM 687 C ASN A 59 3.780 -3.587 -8.115 1.00 50.32 C ATOM 688 O ASN A 59 4.716 -3.548 -8.910 1.00 14.12 O ATOM 689 CB ASN A 59 3.547 -6.083 -8.312 1.00 14.32 C ATOM 690 CG ASN A 59 3.236 -7.394 -7.621 1.00 74.24 C ATOM 691 OD1 ASN A 59 3.557 -7.593 -6.429 1.00 42.44 O ATOM 692 ND2 ASN A 59 2.529 -8.245 -8.304 1.00 65.40 N ATOM 0 H ASN A 59 1.962 -4.855 -5.843 1.00 73.12 H new ATOM 0 HA ASN A 59 4.090 -4.990 -6.532 1.00 55.45 H new ATOM 0 HB2 ASN A 59 2.877 -5.957 -9.163 1.00 14.32 H new ATOM 0 HB3 ASN A 59 4.562 -6.117 -8.707 1.00 14.32 H new ATOM 0 HD21 ASN A 59 2.215 -9.113 -7.869 1.00 65.40 H new ATOM 0 HD22 ASN A 59 2.288 -8.045 -9.275 1.00 65.40 H new ATOM 699 N GLY A 60 3.045 -2.523 -7.820 1.00 61.44 N ATOM 700 CA GLY A 60 3.277 -1.250 -8.460 1.00 21.43 C ATOM 701 C GLY A 60 2.433 -1.064 -9.716 1.00 64.02 C ATOM 702 O GLY A 60 2.621 -0.092 -10.463 1.00 14.52 O ATOM 0 H GLY A 60 2.284 -2.524 -7.140 1.00 61.44 H new ATOM 0 HA2 GLY A 60 3.056 -0.448 -7.756 1.00 21.43 H new ATOM 0 HA3 GLY A 60 4.332 -1.165 -8.720 1.00 21.43 H new ATOM 706 N LYS A 61 1.519 -1.986 -9.965 1.00 41.13 N ATOM 707 CA LYS A 61 0.661 -1.932 -11.127 1.00 43.22 C ATOM 708 C LYS A 61 -0.765 -1.717 -10.701 1.00 41.03 C ATOM 709 O LYS A 61 -1.238 -2.363 -9.770 1.00 1.55 O ATOM 710 CB LYS A 61 0.792 -3.210 -11.971 1.00 35.13 C ATOM 711 CG LYS A 61 2.201 -3.472 -12.509 1.00 13.14 C ATOM 712 CD LYS A 61 2.697 -2.325 -13.381 1.00 54.03 C ATOM 713 CE LYS A 61 1.881 -2.171 -14.656 1.00 24.41 C ATOM 714 NZ LYS A 61 2.259 -0.950 -15.390 1.00 24.41 N ATOM 0 H LYS A 61 1.354 -2.793 -9.364 1.00 41.13 H new ATOM 0 HA LYS A 61 0.973 -1.093 -11.749 1.00 43.22 H new ATOM 0 HB2 LYS A 61 0.483 -4.063 -11.367 1.00 35.13 H new ATOM 0 HB3 LYS A 61 0.101 -3.148 -12.812 1.00 35.13 H new ATOM 0 HG2 LYS A 61 2.887 -3.617 -11.675 1.00 13.14 H new ATOM 0 HG3 LYS A 61 2.203 -4.396 -13.088 1.00 13.14 H new ATOM 0 HD2 LYS A 61 2.656 -1.396 -12.812 1.00 54.03 H new ATOM 0 HD3 LYS A 61 3.742 -2.495 -13.640 1.00 54.03 H new ATOM 0 HE2 LYS A 61 2.031 -3.042 -15.294 1.00 24.41 H new ATOM 0 HE3 LYS A 61 0.820 -2.136 -14.409 1.00 24.41 H new ATOM 0 HZ1 LYS A 61 1.686 -0.873 -16.254 1.00 24.41 H new ATOM 0 HZ2 LYS A 61 2.093 -0.118 -14.789 1.00 24.41 H new ATOM 0 HZ3 LYS A 61 3.266 -0.996 -15.646 1.00 24.41 H new ATOM 728 N ILE A 62 -1.440 -0.831 -11.384 1.00 1.02 N ATOM 729 CA ILE A 62 -2.788 -0.443 -11.025 1.00 53.43 C ATOM 730 C ILE A 62 -3.795 -1.544 -11.455 1.00 63.24 C ATOM 731 O ILE A 62 -3.768 -2.045 -12.589 1.00 73.54 O ATOM 732 CB ILE A 62 -3.128 0.983 -11.635 1.00 5.23 C ATOM 733 CG1 ILE A 62 -4.266 1.721 -10.875 1.00 11.42 C ATOM 734 CG2 ILE A 62 -3.438 0.911 -13.123 1.00 50.22 C ATOM 735 CD1 ILE A 62 -5.641 1.124 -10.977 1.00 33.14 C ATOM 0 H ILE A 62 -1.074 -0.354 -12.208 1.00 1.02 H new ATOM 0 HA ILE A 62 -2.869 -0.349 -9.942 1.00 53.43 H new ATOM 0 HB ILE A 62 -2.222 1.574 -11.503 1.00 5.23 H new ATOM 0 HG12 ILE A 62 -3.994 1.772 -9.821 1.00 11.42 H new ATOM 0 HG13 ILE A 62 -4.312 2.746 -11.242 1.00 11.42 H new ATOM 0 HG21 ILE A 62 -3.665 1.910 -13.496 1.00 50.22 H new ATOM 0 HG22 ILE A 62 -2.575 0.512 -13.656 1.00 50.22 H new ATOM 0 HG23 ILE A 62 -4.297 0.260 -13.285 1.00 50.22 H new ATOM 0 HD11 ILE A 62 -6.344 1.730 -10.405 1.00 33.14 H new ATOM 0 HD12 ILE A 62 -5.950 1.099 -12.022 1.00 33.14 H new ATOM 0 HD13 ILE A 62 -5.628 0.110 -10.578 1.00 33.14 H new ATOM 747 N GLN A 63 -4.580 -1.977 -10.513 1.00 53.33 N ATOM 748 CA GLN A 63 -5.613 -2.962 -10.716 1.00 61.10 C ATOM 749 C GLN A 63 -6.944 -2.361 -10.284 1.00 62.32 C ATOM 750 O GLN A 63 -6.993 -1.513 -9.362 1.00 21.33 O ATOM 751 CB GLN A 63 -5.356 -4.192 -9.831 1.00 73.13 C ATOM 752 CG GLN A 63 -3.925 -4.674 -9.813 1.00 24.23 C ATOM 753 CD GLN A 63 -3.397 -5.095 -11.162 1.00 31.42 C ATOM 754 OE1 GLN A 63 -4.132 -5.583 -12.017 1.00 35.03 O ATOM 755 NE2 GLN A 63 -2.133 -4.880 -11.367 1.00 22.54 N ATOM 0 H GLN A 63 -4.521 -1.647 -9.550 1.00 53.33 H new ATOM 0 HA GLN A 63 -5.623 -3.253 -11.766 1.00 61.10 H new ATOM 0 HB2 GLN A 63 -5.658 -3.957 -8.810 1.00 73.13 H new ATOM 0 HB3 GLN A 63 -5.994 -5.007 -10.172 1.00 73.13 H new ATOM 0 HG2 GLN A 63 -3.291 -3.880 -9.419 1.00 24.23 H new ATOM 0 HG3 GLN A 63 -3.846 -5.516 -9.125 1.00 24.23 H new ATOM 0 HE21 GLN A 63 -1.559 -4.473 -10.629 1.00 22.54 H new ATOM 0 HE22 GLN A 63 -1.714 -5.118 -12.266 1.00 22.54 H new ATOM 764 N THR A 64 -7.996 -2.765 -10.930 1.00 11.33 N ATOM 765 CA THR A 64 -9.306 -2.336 -10.554 1.00 43.34 C ATOM 766 C THR A 64 -9.959 -3.466 -9.735 1.00 53.02 C ATOM 767 O THR A 64 -9.348 -4.551 -9.593 1.00 23.21 O ATOM 768 CB THR A 64 -10.163 -1.943 -11.811 1.00 31.04 C ATOM 769 OG1 THR A 64 -11.412 -1.338 -11.417 1.00 0.24 O ATOM 770 CG2 THR A 64 -10.439 -3.153 -12.705 1.00 32.42 C ATOM 0 H THR A 64 -7.969 -3.399 -11.729 1.00 11.33 H new ATOM 0 HA THR A 64 -9.246 -1.435 -9.943 1.00 43.34 H new ATOM 0 HB THR A 64 -9.580 -1.219 -12.380 1.00 31.04 H new ATOM 0 HG1 THR A 64 -11.927 -1.101 -12.216 1.00 0.24 H new ATOM 0 HG21 THR A 64 -11.034 -2.843 -13.564 1.00 32.42 H new ATOM 0 HG22 THR A 64 -9.494 -3.573 -13.051 1.00 32.42 H new ATOM 0 HG23 THR A 64 -10.986 -3.907 -12.138 1.00 32.42 H new ATOM 778 N THR A 65 -11.166 -3.228 -9.209 1.00 33.43 N ATOM 779 CA THR A 65 -11.891 -4.200 -8.392 1.00 70.04 C ATOM 780 C THR A 65 -12.006 -5.556 -9.075 1.00 4.33 C ATOM 781 O THR A 65 -11.929 -6.577 -8.416 1.00 72.14 O ATOM 782 CB THR A 65 -13.305 -3.677 -7.947 1.00 64.44 C ATOM 783 OG1 THR A 65 -13.984 -4.625 -7.103 1.00 30.33 O ATOM 784 CG2 THR A 65 -14.193 -3.291 -9.121 1.00 71.11 C ATOM 0 H THR A 65 -11.668 -2.350 -9.341 1.00 33.43 H new ATOM 0 HA THR A 65 -11.294 -4.333 -7.490 1.00 70.04 H new ATOM 0 HB THR A 65 -13.114 -2.771 -7.372 1.00 64.44 H new ATOM 0 HG1 THR A 65 -14.858 -4.266 -6.845 1.00 30.33 H new ATOM 0 HG21 THR A 65 -15.155 -2.938 -8.749 1.00 71.11 H new ATOM 0 HG22 THR A 65 -13.713 -2.499 -9.695 1.00 71.11 H new ATOM 0 HG23 THR A 65 -14.348 -4.160 -9.761 1.00 71.11 H new ATOM 792 N THR A 66 -12.126 -5.550 -10.397 1.00 52.25 N ATOM 793 CA THR A 66 -12.235 -6.765 -11.173 1.00 40.22 C ATOM 794 C THR A 66 -10.987 -7.647 -10.949 1.00 14.01 C ATOM 795 O THR A 66 -11.090 -8.811 -10.512 1.00 5.13 O ATOM 796 CB THR A 66 -12.343 -6.401 -12.661 1.00 0.32 C ATOM 797 OG1 THR A 66 -13.311 -5.346 -12.811 1.00 41.11 O ATOM 798 CG2 THR A 66 -12.775 -7.608 -13.483 1.00 71.42 C ATOM 0 H THR A 66 -12.150 -4.697 -10.956 1.00 52.25 H new ATOM 0 HA THR A 66 -13.121 -7.317 -10.860 1.00 40.22 H new ATOM 0 HB THR A 66 -11.367 -6.074 -13.019 1.00 0.32 H new ATOM 0 HG1 THR A 66 -13.387 -5.104 -13.758 1.00 41.11 H new ATOM 0 HG21 THR A 66 -12.845 -7.327 -14.534 1.00 71.42 H new ATOM 0 HG22 THR A 66 -12.042 -8.407 -13.369 1.00 71.42 H new ATOM 0 HG23 THR A 66 -13.748 -7.956 -13.135 1.00 71.42 H new ATOM 806 N ALA A 67 -9.828 -7.046 -11.177 1.00 34.12 N ATOM 807 CA ALA A 67 -8.550 -7.710 -11.055 1.00 51.15 C ATOM 808 C ALA A 67 -8.279 -8.111 -9.608 1.00 3.35 C ATOM 809 O ALA A 67 -7.909 -9.238 -9.346 1.00 13.01 O ATOM 810 CB ALA A 67 -7.454 -6.811 -11.583 1.00 1.11 C ATOM 0 H ALA A 67 -9.754 -6.068 -11.456 1.00 34.12 H new ATOM 0 HA ALA A 67 -8.571 -8.623 -11.650 1.00 51.15 H new ATOM 0 HB1 ALA A 67 -6.492 -7.316 -11.489 1.00 1.11 H new ATOM 0 HB2 ALA A 67 -7.644 -6.584 -12.632 1.00 1.11 H new ATOM 0 HB3 ALA A 67 -7.435 -5.885 -11.009 1.00 1.11 H new ATOM 816 N PHE A 68 -8.490 -7.182 -8.681 1.00 73.44 N ATOM 817 CA PHE A 68 -8.314 -7.441 -7.241 1.00 20.22 C ATOM 818 C PHE A 68 -9.126 -8.630 -6.799 1.00 3.35 C ATOM 819 O PHE A 68 -8.596 -9.561 -6.190 1.00 60.54 O ATOM 820 CB PHE A 68 -8.737 -6.215 -6.446 1.00 4.25 C ATOM 821 CG PHE A 68 -8.915 -6.415 -4.943 1.00 22.32 C ATOM 822 CD1 PHE A 68 -7.836 -6.399 -4.082 1.00 41.14 C ATOM 823 CD2 PHE A 68 -10.185 -6.605 -4.407 1.00 51.43 C ATOM 824 CE1 PHE A 68 -8.013 -6.574 -2.721 1.00 44.34 C ATOM 825 CE2 PHE A 68 -10.366 -6.781 -3.053 1.00 62.43 C ATOM 826 CZ PHE A 68 -9.279 -6.766 -2.209 1.00 21.01 C ATOM 0 H PHE A 68 -8.787 -6.230 -8.897 1.00 73.44 H new ATOM 0 HA PHE A 68 -7.261 -7.657 -7.060 1.00 20.22 H new ATOM 0 HB2 PHE A 68 -7.994 -5.433 -6.602 1.00 4.25 H new ATOM 0 HB3 PHE A 68 -9.678 -5.848 -6.857 1.00 4.25 H new ATOM 0 HD1 PHE A 68 -6.842 -6.248 -4.476 1.00 41.14 H new ATOM 0 HD2 PHE A 68 -11.043 -6.615 -5.063 1.00 51.43 H new ATOM 0 HE1 PHE A 68 -7.159 -6.560 -2.059 1.00 44.34 H new ATOM 0 HE2 PHE A 68 -11.359 -6.930 -2.655 1.00 62.43 H new ATOM 0 HZ PHE A 68 -9.417 -6.904 -1.147 1.00 21.01 H new ATOM 836 N LEU A 69 -10.411 -8.570 -7.089 1.00 71.51 N ATOM 837 CA LEU A 69 -11.344 -9.651 -6.758 1.00 63.32 C ATOM 838 C LEU A 69 -10.841 -10.988 -7.332 1.00 13.22 C ATOM 839 O LEU A 69 -10.879 -12.022 -6.641 1.00 31.34 O ATOM 840 CB LEU A 69 -12.778 -9.280 -7.236 1.00 33.14 C ATOM 841 CG LEU A 69 -13.989 -10.105 -6.726 1.00 11.12 C ATOM 842 CD1 LEU A 69 -14.053 -11.496 -7.331 1.00 12.21 C ATOM 843 CD2 LEU A 69 -13.976 -10.183 -5.210 1.00 55.35 C ATOM 0 H LEU A 69 -10.846 -7.776 -7.560 1.00 71.51 H new ATOM 0 HA LEU A 69 -11.394 -9.779 -5.677 1.00 63.32 H new ATOM 0 HB2 LEU A 69 -12.954 -8.239 -6.965 1.00 33.14 H new ATOM 0 HB3 LEU A 69 -12.783 -9.331 -8.325 1.00 33.14 H new ATOM 0 HG LEU A 69 -14.887 -9.581 -7.052 1.00 11.12 H new ATOM 0 HD11 LEU A 69 -14.921 -12.025 -6.936 1.00 12.21 H new ATOM 0 HD12 LEU A 69 -14.138 -11.418 -8.415 1.00 12.21 H new ATOM 0 HD13 LEU A 69 -13.147 -12.045 -7.077 1.00 12.21 H new ATOM 0 HD21 LEU A 69 -14.832 -10.765 -4.868 1.00 55.35 H new ATOM 0 HD22 LEU A 69 -13.055 -10.663 -4.878 1.00 55.35 H new ATOM 0 HD23 LEU A 69 -14.032 -9.177 -4.793 1.00 55.35 H new ATOM 855 N GLN A 70 -10.348 -10.957 -8.568 1.00 45.34 N ATOM 856 CA GLN A 70 -9.737 -12.109 -9.180 1.00 4.42 C ATOM 857 C GLN A 70 -8.560 -12.613 -8.350 1.00 21.20 C ATOM 858 O GLN A 70 -8.561 -13.755 -7.929 1.00 4.22 O ATOM 859 CB GLN A 70 -9.287 -11.793 -10.599 1.00 52.44 C ATOM 860 CG GLN A 70 -10.407 -11.708 -11.612 1.00 4.22 C ATOM 861 CD GLN A 70 -9.921 -11.292 -12.985 1.00 52.52 C ATOM 862 OE1 GLN A 70 -8.776 -11.563 -13.374 1.00 23.35 O ATOM 863 NE2 GLN A 70 -10.777 -10.646 -13.734 1.00 65.52 N ATOM 0 H GLN A 70 -10.366 -10.129 -9.163 1.00 45.34 H new ATOM 0 HA GLN A 70 -10.487 -12.899 -9.222 1.00 4.42 H new ATOM 0 HB2 GLN A 70 -8.748 -10.845 -10.592 1.00 52.44 H new ATOM 0 HB3 GLN A 70 -8.581 -12.559 -10.921 1.00 52.44 H new ATOM 0 HG2 GLN A 70 -10.901 -12.677 -11.684 1.00 4.22 H new ATOM 0 HG3 GLN A 70 -11.154 -10.994 -11.263 1.00 4.22 H new ATOM 0 HE21 GLN A 70 -11.711 -10.441 -13.380 1.00 65.52 H new ATOM 0 HE22 GLN A 70 -10.510 -10.348 -14.672 1.00 65.52 H new ATOM 872 N PHE A 71 -7.609 -11.732 -8.036 1.00 14.42 N ATOM 873 CA PHE A 71 -6.391 -12.132 -7.312 1.00 32.13 C ATOM 874 C PHE A 71 -6.738 -12.658 -5.918 1.00 44.01 C ATOM 875 O PHE A 71 -6.074 -13.551 -5.377 1.00 14.32 O ATOM 876 CB PHE A 71 -5.395 -10.972 -7.191 1.00 10.22 C ATOM 877 CG PHE A 71 -4.890 -10.395 -8.490 1.00 54.10 C ATOM 878 CD1 PHE A 71 -4.923 -9.029 -8.703 1.00 14.21 C ATOM 879 CD2 PHE A 71 -4.385 -11.210 -9.491 1.00 75.04 C ATOM 880 CE1 PHE A 71 -4.466 -8.484 -9.885 1.00 32.31 C ATOM 881 CE2 PHE A 71 -3.926 -10.671 -10.676 1.00 52.44 C ATOM 882 CZ PHE A 71 -3.967 -9.305 -10.873 1.00 73.53 C ATOM 0 H PHE A 71 -7.654 -10.740 -8.268 1.00 14.42 H new ATOM 0 HA PHE A 71 -5.921 -12.927 -7.891 1.00 32.13 H new ATOM 0 HB2 PHE A 71 -5.867 -10.172 -6.620 1.00 10.22 H new ATOM 0 HB3 PHE A 71 -4.538 -11.314 -6.611 1.00 10.22 H new ATOM 0 HD1 PHE A 71 -5.312 -8.380 -7.933 1.00 14.21 H new ATOM 0 HD2 PHE A 71 -4.350 -12.279 -9.342 1.00 75.04 H new ATOM 0 HE1 PHE A 71 -4.499 -7.415 -10.036 1.00 32.31 H new ATOM 0 HE2 PHE A 71 -3.535 -11.317 -11.448 1.00 52.44 H new ATOM 0 HZ PHE A 71 -3.609 -8.881 -11.799 1.00 73.53 H new ATOM 892 N PHE A 72 -7.778 -12.101 -5.356 1.00 73.32 N ATOM 893 CA PHE A 72 -8.312 -12.511 -4.089 1.00 41.42 C ATOM 894 C PHE A 72 -8.785 -13.966 -4.156 1.00 23.21 C ATOM 895 O PHE A 72 -8.292 -14.816 -3.397 1.00 43.22 O ATOM 896 CB PHE A 72 -9.433 -11.535 -3.671 1.00 53.51 C ATOM 897 CG PHE A 72 -10.419 -12.074 -2.684 1.00 41.14 C ATOM 898 CD1 PHE A 72 -10.148 -12.119 -1.327 1.00 63.21 C ATOM 899 CD2 PHE A 72 -11.636 -12.545 -3.140 1.00 12.12 C ATOM 900 CE1 PHE A 72 -11.078 -12.626 -0.460 1.00 53.14 C ATOM 901 CE2 PHE A 72 -12.564 -13.050 -2.277 1.00 42.52 C ATOM 902 CZ PHE A 72 -12.288 -13.095 -0.936 1.00 4.11 C ATOM 0 H PHE A 72 -8.290 -11.328 -5.781 1.00 73.32 H new ATOM 0 HA PHE A 72 -7.538 -12.473 -3.323 1.00 41.42 H new ATOM 0 HB2 PHE A 72 -8.974 -10.641 -3.249 1.00 53.51 H new ATOM 0 HB3 PHE A 72 -9.973 -11.224 -4.565 1.00 53.51 H new ATOM 0 HD1 PHE A 72 -9.203 -11.754 -0.953 1.00 63.21 H new ATOM 0 HD2 PHE A 72 -11.856 -12.513 -4.197 1.00 12.12 H new ATOM 0 HE1 PHE A 72 -10.866 -12.660 0.598 1.00 53.14 H new ATOM 0 HE2 PHE A 72 -13.511 -13.412 -2.649 1.00 42.52 H new ATOM 0 HZ PHE A 72 -13.018 -13.498 -0.249 1.00 4.11 H new ATOM 912 N ARG A 73 -9.668 -14.272 -5.108 1.00 54.41 N ATOM 913 CA ARG A 73 -10.200 -15.628 -5.242 1.00 12.50 C ATOM 914 C ARG A 73 -9.140 -16.592 -5.756 1.00 73.34 C ATOM 915 O ARG A 73 -9.236 -17.796 -5.553 1.00 62.02 O ATOM 916 CB ARG A 73 -11.474 -15.686 -6.101 1.00 72.20 C ATOM 917 CG ARG A 73 -11.340 -15.052 -7.467 1.00 72.12 C ATOM 918 CD ARG A 73 -12.550 -15.300 -8.339 1.00 4.02 C ATOM 919 NE ARG A 73 -13.821 -14.877 -7.723 1.00 22.53 N ATOM 920 CZ ARG A 73 -15.033 -15.081 -8.273 1.00 41.12 C ATOM 921 NH1 ARG A 73 -15.136 -15.638 -9.476 1.00 43.43 N ATOM 922 NH2 ARG A 73 -16.129 -14.701 -7.621 1.00 14.53 N ATOM 0 H ARG A 73 -10.027 -13.606 -5.792 1.00 54.41 H new ATOM 0 HA ARG A 73 -10.488 -15.947 -4.240 1.00 12.50 H new ATOM 0 HB2 ARG A 73 -11.765 -16.729 -6.226 1.00 72.20 H new ATOM 0 HB3 ARG A 73 -12.282 -15.191 -5.563 1.00 72.20 H new ATOM 0 HG2 ARG A 73 -11.192 -13.978 -7.353 1.00 72.12 H new ATOM 0 HG3 ARG A 73 -10.452 -15.446 -7.962 1.00 72.12 H new ATOM 0 HD2 ARG A 73 -12.421 -14.772 -9.284 1.00 4.02 H new ATOM 0 HD3 ARG A 73 -12.606 -16.363 -8.574 1.00 4.02 H new ATOM 0 HE ARG A 73 -13.780 -14.399 -6.823 1.00 22.53 H new ATOM 0 HH11 ARG A 73 -14.295 -15.912 -9.985 1.00 43.43 H new ATOM 0 HH12 ARG A 73 -16.056 -15.791 -9.890 1.00 43.43 H new ATOM 0 HH21 ARG A 73 -16.050 -14.256 -6.707 1.00 14.53 H new ATOM 0 HH22 ARG A 73 -17.048 -14.855 -8.036 1.00 14.53 H new ATOM 936 N GLN A 74 -8.132 -16.051 -6.417 1.00 53.40 N ATOM 937 CA GLN A 74 -7.007 -16.839 -6.865 1.00 5.54 C ATOM 938 C GLN A 74 -6.139 -17.264 -5.685 1.00 35.43 C ATOM 939 O GLN A 74 -5.380 -18.226 -5.781 1.00 53.35 O ATOM 940 CB GLN A 74 -6.164 -16.084 -7.900 1.00 43.04 C ATOM 941 CG GLN A 74 -6.855 -15.880 -9.242 1.00 51.11 C ATOM 942 CD GLN A 74 -6.030 -15.047 -10.206 1.00 25.44 C ATOM 943 OE1 GLN A 74 -6.147 -13.827 -10.264 1.00 11.11 O ATOM 944 NE2 GLN A 74 -5.191 -15.688 -10.954 1.00 12.21 N ATOM 0 H GLN A 74 -8.074 -15.061 -6.655 1.00 53.40 H new ATOM 0 HA GLN A 74 -7.407 -17.732 -7.346 1.00 5.54 H new ATOM 0 HB2 GLN A 74 -5.895 -15.110 -7.491 1.00 43.04 H new ATOM 0 HB3 GLN A 74 -5.235 -16.630 -8.062 1.00 43.04 H new ATOM 0 HG2 GLN A 74 -7.060 -16.852 -9.692 1.00 51.11 H new ATOM 0 HG3 GLN A 74 -7.817 -15.394 -9.080 1.00 51.11 H new ATOM 0 HE21 GLN A 74 -5.116 -16.703 -10.883 1.00 12.21 H new ATOM 0 HE22 GLN A 74 -4.604 -15.178 -11.615 1.00 12.21 H new ATOM 953 N GLY A 75 -6.259 -16.563 -4.564 1.00 60.25 N ATOM 954 CA GLY A 75 -5.500 -16.914 -3.423 1.00 13.34 C ATOM 955 C GLY A 75 -4.244 -16.110 -3.277 1.00 1.43 C ATOM 956 O GLY A 75 -3.296 -16.558 -2.649 1.00 23.51 O ATOM 0 H GLY A 75 -6.875 -15.759 -4.444 1.00 60.25 H new ATOM 0 HA2 GLY A 75 -6.114 -16.781 -2.532 1.00 13.34 H new ATOM 0 HA3 GLY A 75 -5.242 -17.972 -3.478 1.00 13.34 H new ATOM 960 N LEU A 76 -4.217 -14.928 -3.833 1.00 65.51 N ATOM 961 CA LEU A 76 -3.040 -14.100 -3.698 1.00 60.40 C ATOM 962 C LEU A 76 -3.125 -13.252 -2.442 1.00 35.10 C ATOM 963 O LEU A 76 -2.212 -13.226 -1.640 1.00 24.11 O ATOM 964 CB LEU A 76 -2.811 -13.231 -4.941 1.00 71.31 C ATOM 965 CG LEU A 76 -2.668 -13.994 -6.271 1.00 60.20 C ATOM 966 CD1 LEU A 76 -2.276 -13.057 -7.391 1.00 74.33 C ATOM 967 CD2 LEU A 76 -1.661 -15.130 -6.155 1.00 33.51 C ATOM 0 H LEU A 76 -4.979 -14.519 -4.374 1.00 65.51 H new ATOM 0 HA LEU A 76 -2.178 -14.761 -3.607 1.00 60.40 H new ATOM 0 HB2 LEU A 76 -3.643 -12.532 -5.032 1.00 71.31 H new ATOM 0 HB3 LEU A 76 -1.911 -12.637 -4.786 1.00 71.31 H new ATOM 0 HG LEU A 76 -3.640 -14.427 -6.505 1.00 60.20 H new ATOM 0 HD11 LEU A 76 -2.181 -13.620 -8.320 1.00 74.33 H new ATOM 0 HD12 LEU A 76 -3.041 -12.290 -7.508 1.00 74.33 H new ATOM 0 HD13 LEU A 76 -1.322 -12.585 -7.154 1.00 74.33 H new ATOM 0 HD21 LEU A 76 -1.585 -15.648 -7.111 1.00 33.51 H new ATOM 0 HD22 LEU A 76 -0.686 -14.726 -5.882 1.00 33.51 H new ATOM 0 HD23 LEU A 76 -1.990 -15.831 -5.388 1.00 33.51 H new ATOM 979 N PHE A 77 -4.263 -12.621 -2.224 1.00 62.42 N ATOM 980 CA PHE A 77 -4.414 -11.736 -1.069 1.00 32.43 C ATOM 981 C PHE A 77 -4.926 -12.476 0.163 1.00 44.22 C ATOM 982 O PHE A 77 -5.241 -11.865 1.159 1.00 21.15 O ATOM 983 CB PHE A 77 -5.339 -10.560 -1.393 1.00 64.55 C ATOM 984 CG PHE A 77 -4.920 -9.777 -2.604 1.00 2.43 C ATOM 985 CD1 PHE A 77 -3.613 -9.338 -2.755 1.00 33.33 C ATOM 986 CD2 PHE A 77 -5.834 -9.481 -3.585 1.00 5.42 C ATOM 987 CE1 PHE A 77 -3.238 -8.623 -3.870 1.00 4.34 C ATOM 988 CE2 PHE A 77 -5.466 -8.766 -4.695 1.00 22.03 C ATOM 989 CZ PHE A 77 -4.168 -8.335 -4.844 1.00 13.33 C ATOM 0 H PHE A 77 -5.089 -12.698 -2.817 1.00 62.42 H new ATOM 0 HA PHE A 77 -3.420 -11.353 -0.839 1.00 32.43 H new ATOM 0 HB2 PHE A 77 -6.350 -10.937 -1.547 1.00 64.55 H new ATOM 0 HB3 PHE A 77 -5.376 -9.891 -0.533 1.00 64.55 H new ATOM 0 HD1 PHE A 77 -2.883 -9.559 -1.991 1.00 33.33 H new ATOM 0 HD2 PHE A 77 -6.856 -9.816 -3.481 1.00 5.42 H new ATOM 0 HE1 PHE A 77 -2.217 -8.289 -3.981 1.00 4.34 H new ATOM 0 HE2 PHE A 77 -6.198 -8.540 -5.456 1.00 22.03 H new ATOM 0 HZ PHE A 77 -3.880 -7.774 -5.720 1.00 13.33 H new ATOM 999 N LYS A 78 -4.948 -13.795 0.103 1.00 71.03 N ATOM 1000 CA LYS A 78 -5.449 -14.609 1.219 1.00 43.33 C ATOM 1001 C LYS A 78 -4.517 -14.628 2.437 1.00 11.35 C ATOM 1002 O LYS A 78 -4.867 -15.161 3.491 1.00 71.21 O ATOM 1003 CB LYS A 78 -5.893 -16.017 0.813 1.00 2.43 C ATOM 1004 CG LYS A 78 -4.858 -16.853 0.099 1.00 10.21 C ATOM 1005 CD LYS A 78 -5.319 -18.295 0.011 1.00 22.24 C ATOM 1006 CE LYS A 78 -4.320 -19.172 -0.720 1.00 33.42 C ATOM 1007 NZ LYS A 78 -4.793 -20.564 -0.809 1.00 51.34 N ATOM 0 H LYS A 78 -4.627 -14.334 -0.701 1.00 71.03 H new ATOM 0 HA LYS A 78 -6.354 -14.090 1.536 1.00 43.33 H new ATOM 0 HB2 LYS A 78 -6.208 -16.551 1.710 1.00 2.43 H new ATOM 0 HB3 LYS A 78 -6.769 -15.930 0.170 1.00 2.43 H new ATOM 0 HG2 LYS A 78 -4.687 -16.457 -0.902 1.00 10.21 H new ATOM 0 HG3 LYS A 78 -3.907 -16.799 0.630 1.00 10.21 H new ATOM 0 HD2 LYS A 78 -5.476 -18.686 1.016 1.00 22.24 H new ATOM 0 HD3 LYS A 78 -6.280 -18.337 -0.502 1.00 22.24 H new ATOM 0 HE2 LYS A 78 -4.152 -18.778 -1.722 1.00 33.42 H new ATOM 0 HE3 LYS A 78 -3.361 -19.144 -0.202 1.00 33.42 H new ATOM 0 HZ1 LYS A 78 -4.088 -21.138 -1.314 1.00 51.34 H new ATOM 0 HZ2 LYS A 78 -4.929 -20.946 0.149 1.00 51.34 H new ATOM 0 HZ3 LYS A 78 -5.696 -20.592 -1.325 1.00 51.34 H new ATOM 1021 N LYS A 79 -3.310 -14.138 2.271 1.00 53.33 N ATOM 1022 CA LYS A 79 -2.368 -14.061 3.382 1.00 3.33 C ATOM 1023 C LYS A 79 -2.622 -12.819 4.229 1.00 52.21 C ATOM 1024 O LYS A 79 -2.030 -12.678 5.308 1.00 42.11 O ATOM 1025 CB LYS A 79 -0.932 -14.004 2.915 1.00 62.32 C ATOM 1026 CG LYS A 79 -0.445 -15.128 2.037 1.00 51.44 C ATOM 1027 CD LYS A 79 1.026 -14.901 1.759 1.00 71.34 C ATOM 1028 CE LYS A 79 1.586 -15.840 0.727 1.00 42.13 C ATOM 1029 NZ LYS A 79 3.003 -15.522 0.462 1.00 24.25 N ATOM 0 H LYS A 79 -2.951 -13.786 1.384 1.00 53.33 H new ATOM 0 HA LYS A 79 -2.524 -14.968 3.966 1.00 3.33 H new ATOM 0 HB2 LYS A 79 -0.790 -13.068 2.374 1.00 62.32 H new ATOM 0 HB3 LYS A 79 -0.292 -13.963 3.796 1.00 62.32 H new ATOM 0 HG2 LYS A 79 -0.596 -16.089 2.529 1.00 51.44 H new ATOM 0 HG3 LYS A 79 -1.009 -15.155 1.105 1.00 51.44 H new ATOM 0 HD2 LYS A 79 1.171 -13.874 1.423 1.00 71.34 H new ATOM 0 HD3 LYS A 79 1.586 -15.015 2.687 1.00 71.34 H new ATOM 0 HE2 LYS A 79 1.496 -16.869 1.074 1.00 42.13 H new ATOM 0 HE3 LYS A 79 1.010 -15.763 -0.195 1.00 42.13 H new ATOM 0 HZ1 LYS A 79 3.378 -16.178 -0.253 1.00 24.25 H new ATOM 0 HZ2 LYS A 79 3.080 -14.546 0.111 1.00 24.25 H new ATOM 0 HZ3 LYS A 79 3.551 -15.618 1.341 1.00 24.25 H new ATOM 1043 N LEU A 80 -3.479 -11.917 3.732 1.00 42.11 N ATOM 1044 CA LEU A 80 -3.737 -10.623 4.377 1.00 23.51 C ATOM 1045 C LEU A 80 -4.271 -10.826 5.797 1.00 4.32 C ATOM 1046 O LEU A 80 -3.991 -10.024 6.686 1.00 14.54 O ATOM 1047 CB LEU A 80 -4.716 -9.784 3.486 1.00 71.22 C ATOM 1048 CG LEU A 80 -4.996 -8.284 3.835 1.00 4.04 C ATOM 1049 CD1 LEU A 80 -5.868 -8.107 5.073 1.00 71.01 C ATOM 1050 CD2 LEU A 80 -3.692 -7.508 3.983 1.00 11.41 C ATOM 0 H LEU A 80 -4.011 -12.063 2.874 1.00 42.11 H new ATOM 0 HA LEU A 80 -2.806 -10.065 4.470 1.00 23.51 H new ATOM 0 HB2 LEU A 80 -4.333 -9.814 2.466 1.00 71.22 H new ATOM 0 HB3 LEU A 80 -5.676 -10.301 3.482 1.00 71.22 H new ATOM 0 HG LEU A 80 -5.561 -7.877 2.996 1.00 4.04 H new ATOM 0 HD11 LEU A 80 -6.024 -7.044 5.259 1.00 71.01 H new ATOM 0 HD12 LEU A 80 -6.831 -8.592 4.912 1.00 71.01 H new ATOM 0 HD13 LEU A 80 -5.374 -8.558 5.934 1.00 71.01 H new ATOM 0 HD21 LEU A 80 -3.913 -6.468 4.225 1.00 11.41 H new ATOM 0 HD22 LEU A 80 -3.095 -7.948 4.782 1.00 11.41 H new ATOM 0 HD23 LEU A 80 -3.134 -7.552 3.047 1.00 11.41 H new ATOM 1062 N LYS A 81 -4.966 -11.932 6.013 1.00 53.15 N ATOM 1063 CA LYS A 81 -5.496 -12.256 7.328 1.00 1.12 C ATOM 1064 C LYS A 81 -4.373 -12.357 8.379 1.00 52.04 C ATOM 1065 O LYS A 81 -4.512 -11.857 9.497 1.00 0.20 O ATOM 1066 CB LYS A 81 -6.386 -13.536 7.259 1.00 44.21 C ATOM 1067 CG LYS A 81 -6.881 -14.097 8.602 1.00 51.32 C ATOM 1068 CD LYS A 81 -5.814 -14.950 9.270 1.00 3.44 C ATOM 1069 CE LYS A 81 -6.175 -15.330 10.678 1.00 3.34 C ATOM 1070 NZ LYS A 81 -5.136 -16.193 11.281 1.00 71.34 N ATOM 0 H LYS A 81 -5.177 -12.622 5.292 1.00 53.15 H new ATOM 0 HA LYS A 81 -6.140 -11.440 7.656 1.00 1.12 H new ATOM 0 HB2 LYS A 81 -7.255 -13.315 6.640 1.00 44.21 H new ATOM 0 HB3 LYS A 81 -5.822 -14.317 6.749 1.00 44.21 H new ATOM 0 HG2 LYS A 81 -7.159 -13.275 9.262 1.00 51.32 H new ATOM 0 HG3 LYS A 81 -7.779 -14.694 8.441 1.00 51.32 H new ATOM 0 HD2 LYS A 81 -5.657 -15.855 8.683 1.00 3.44 H new ATOM 0 HD3 LYS A 81 -4.870 -14.406 9.275 1.00 3.44 H new ATOM 0 HE2 LYS A 81 -6.299 -14.430 11.280 1.00 3.34 H new ATOM 0 HE3 LYS A 81 -7.132 -15.851 10.683 1.00 3.34 H new ATOM 0 HZ1 LYS A 81 -5.442 -16.496 12.228 1.00 71.34 H new ATOM 0 HZ2 LYS A 81 -4.988 -17.030 10.681 1.00 71.34 H new ATOM 0 HZ3 LYS A 81 -4.245 -15.661 11.359 1.00 71.34 H new ATOM 1084 N ASP A 82 -3.266 -12.971 8.012 1.00 35.14 N ATOM 1085 CA ASP A 82 -2.148 -13.138 8.942 1.00 5.51 C ATOM 1086 C ASP A 82 -1.083 -12.099 8.729 1.00 52.32 C ATOM 1087 O ASP A 82 0.030 -12.216 9.255 1.00 44.33 O ATOM 1088 CB ASP A 82 -1.535 -14.551 8.906 1.00 31.32 C ATOM 1089 CG ASP A 82 -2.335 -15.576 9.681 1.00 43.55 C ATOM 1090 OD1 ASP A 82 -2.720 -16.625 9.116 1.00 14.20 O ATOM 1091 OD2 ASP A 82 -2.617 -15.352 10.879 1.00 30.40 O ATOM 0 H ASP A 82 -3.109 -13.363 7.084 1.00 35.14 H new ATOM 0 HA ASP A 82 -2.574 -12.999 9.936 1.00 5.51 H new ATOM 0 HB2 ASP A 82 -1.451 -14.876 7.869 1.00 31.32 H new ATOM 0 HB3 ASP A 82 -0.523 -14.510 9.310 1.00 31.32 H new ATOM 1096 N ALA A 83 -1.407 -11.079 7.975 1.00 32.54 N ATOM 1097 CA ALA A 83 -0.497 -9.989 7.777 1.00 2.10 C ATOM 1098 C ALA A 83 -0.595 -9.075 8.970 1.00 21.31 C ATOM 1099 O ALA A 83 -1.696 -8.710 9.402 1.00 63.34 O ATOM 1100 CB ALA A 83 -0.792 -9.248 6.487 1.00 31.21 C ATOM 0 H ALA A 83 -2.298 -10.984 7.488 1.00 32.54 H new ATOM 0 HA ALA A 83 0.520 -10.370 7.686 1.00 2.10 H new ATOM 0 HB1 ALA A 83 -0.084 -8.428 6.368 1.00 31.21 H new ATOM 0 HB2 ALA A 83 -0.699 -9.933 5.644 1.00 31.21 H new ATOM 0 HB3 ALA A 83 -1.806 -8.850 6.520 1.00 31.21 H new ATOM 1106 N GLU A 84 0.526 -8.712 9.511 1.00 72.42 N ATOM 1107 CA GLU A 84 0.537 -7.947 10.719 1.00 21.02 C ATOM 1108 C GLU A 84 0.863 -6.513 10.424 1.00 24.14 C ATOM 1109 O GLU A 84 1.822 -6.220 9.685 1.00 55.21 O ATOM 1110 CB GLU A 84 1.501 -8.557 11.730 1.00 24.01 C ATOM 1111 CG GLU A 84 1.137 -9.990 12.095 1.00 62.33 C ATOM 1112 CD GLU A 84 2.014 -10.571 13.165 1.00 22.43 C ATOM 1113 OE1 GLU A 84 3.042 -11.193 12.845 1.00 32.40 O ATOM 1114 OE2 GLU A 84 1.677 -10.441 14.353 1.00 32.52 O ATOM 0 H GLU A 84 1.448 -8.934 9.134 1.00 72.42 H new ATOM 0 HA GLU A 84 -0.457 -7.972 11.166 1.00 21.02 H new ATOM 0 HB2 GLU A 84 2.511 -8.535 11.322 1.00 24.01 H new ATOM 0 HB3 GLU A 84 1.509 -7.947 12.633 1.00 24.01 H new ATOM 0 HG2 GLU A 84 0.100 -10.020 12.429 1.00 62.33 H new ATOM 0 HG3 GLU A 84 1.203 -10.613 11.203 1.00 62.33 H new ATOM 1121 N PHE A 85 0.057 -5.620 10.960 1.00 62.13 N ATOM 1122 CA PHE A 85 0.222 -4.212 10.714 1.00 63.31 C ATOM 1123 C PHE A 85 1.451 -3.659 11.393 1.00 50.35 C ATOM 1124 O PHE A 85 1.622 -3.768 12.611 1.00 31.02 O ATOM 1125 CB PHE A 85 -1.059 -3.389 11.036 1.00 0.23 C ATOM 1126 CG PHE A 85 -1.568 -3.471 12.455 1.00 23.22 C ATOM 1127 CD1 PHE A 85 -1.179 -2.534 13.404 1.00 53.33 C ATOM 1128 CD2 PHE A 85 -2.451 -4.472 12.831 1.00 63.41 C ATOM 1129 CE1 PHE A 85 -1.657 -2.597 14.697 1.00 61.24 C ATOM 1130 CE2 PHE A 85 -2.930 -4.541 14.122 1.00 54.12 C ATOM 1131 CZ PHE A 85 -2.534 -3.602 15.057 1.00 21.43 C ATOM 0 H PHE A 85 -0.724 -5.852 11.573 1.00 62.13 H new ATOM 0 HA PHE A 85 0.382 -4.104 9.641 1.00 63.31 H new ATOM 0 HB2 PHE A 85 -0.861 -2.343 10.804 1.00 0.23 H new ATOM 0 HB3 PHE A 85 -1.854 -3.719 10.368 1.00 0.23 H new ATOM 0 HD1 PHE A 85 -0.494 -1.747 13.126 1.00 53.33 H new ATOM 0 HD2 PHE A 85 -2.767 -5.206 12.104 1.00 63.41 H new ATOM 0 HE1 PHE A 85 -1.346 -1.863 15.426 1.00 61.24 H new ATOM 0 HE2 PHE A 85 -3.614 -5.328 14.403 1.00 54.12 H new ATOM 0 HZ PHE A 85 -2.910 -3.654 16.068 1.00 21.43 H new ATOM 1300 N GLU A 97 -6.554 14.965 6.168 1.00 22.40 N ATOM 1301 CA GLU A 97 -6.767 13.742 6.912 1.00 2.22 C ATOM 1302 C GLU A 97 -6.531 12.561 5.979 1.00 60.02 C ATOM 1303 O GLU A 97 -7.255 12.393 4.975 1.00 64.13 O ATOM 1304 CB GLU A 97 -8.209 13.673 7.426 1.00 31.05 C ATOM 1305 CG GLU A 97 -8.684 14.882 8.222 1.00 0.34 C ATOM 1306 CD GLU A 97 -7.920 15.126 9.503 1.00 32.54 C ATOM 1307 OE1 GLU A 97 -7.998 14.290 10.415 1.00 53.04 O ATOM 1308 OE2 GLU A 97 -7.317 16.214 9.651 1.00 23.41 O ATOM 0 HA GLU A 97 -6.082 13.715 7.760 1.00 2.22 H new ATOM 0 HB2 GLU A 97 -8.874 13.539 6.573 1.00 31.05 H new ATOM 0 HB3 GLU A 97 -8.310 12.786 8.052 1.00 31.05 H new ATOM 0 HG2 GLU A 97 -8.607 15.769 7.593 1.00 0.34 H new ATOM 0 HG3 GLU A 97 -9.739 14.752 8.462 1.00 0.34 H new ATOM 1315 N GLY A 98 -5.570 11.754 6.307 1.00 4.41 N ATOM 1316 CA GLY A 98 -5.258 10.618 5.503 1.00 33.10 C ATOM 1317 C GLY A 98 -4.725 9.512 6.348 1.00 54.12 C ATOM 1318 O GLY A 98 -3.976 9.757 7.276 1.00 13.31 O ATOM 0 H GLY A 98 -4.984 11.865 7.135 1.00 4.41 H new ATOM 0 HA2 GLY A 98 -6.151 10.283 4.975 1.00 33.10 H new ATOM 0 HA3 GLY A 98 -4.523 10.892 4.746 1.00 33.10 H new ATOM 1322 N TYR A 99 -5.093 8.306 6.053 1.00 75.31 N ATOM 1323 CA TYR A 99 -4.671 7.189 6.863 1.00 1.20 C ATOM 1324 C TYR A 99 -3.906 6.217 6.009 1.00 2.01 C ATOM 1325 O TYR A 99 -4.290 5.955 4.860 1.00 4.14 O ATOM 1326 CB TYR A 99 -5.880 6.495 7.513 1.00 21.32 C ATOM 1327 CG TYR A 99 -6.862 7.470 8.126 1.00 55.13 C ATOM 1328 CD1 TYR A 99 -6.510 8.276 9.203 1.00 0.32 C ATOM 1329 CD2 TYR A 99 -8.126 7.608 7.590 1.00 35.35 C ATOM 1330 CE1 TYR A 99 -7.399 9.199 9.716 1.00 23.42 C ATOM 1331 CE2 TYR A 99 -9.024 8.505 8.094 1.00 11.04 C ATOM 1332 CZ TYR A 99 -8.657 9.313 9.166 1.00 12.13 C ATOM 1333 OH TYR A 99 -9.530 10.270 9.662 1.00 1.21 O ATOM 0 H TYR A 99 -5.685 8.061 5.259 1.00 75.31 H new ATOM 0 HA TYR A 99 -4.027 7.555 7.662 1.00 1.20 H new ATOM 0 HB2 TYR A 99 -6.394 5.894 6.763 1.00 21.32 H new ATOM 0 HB3 TYR A 99 -5.528 5.810 8.284 1.00 21.32 H new ATOM 0 HD1 TYR A 99 -5.529 8.179 9.644 1.00 0.32 H new ATOM 0 HD2 TYR A 99 -8.412 6.991 6.751 1.00 35.35 H new ATOM 0 HE1 TYR A 99 -7.110 9.829 10.544 1.00 23.42 H new ATOM 0 HE2 TYR A 99 -10.011 8.587 7.664 1.00 11.04 H new ATOM 0 HH TYR A 99 -9.776 10.891 8.945 1.00 1.21 H new ATOM 1343 N LYS A 100 -2.820 5.733 6.539 1.00 4.31 N ATOM 1344 CA LYS A 100 -1.988 4.762 5.882 1.00 42.14 C ATOM 1345 C LYS A 100 -1.819 3.574 6.777 1.00 74.45 C ATOM 1346 O LYS A 100 -1.145 3.648 7.796 1.00 51.24 O ATOM 1347 CB LYS A 100 -0.591 5.305 5.506 1.00 61.42 C ATOM 1348 CG LYS A 100 -0.509 6.173 4.252 1.00 24.32 C ATOM 1349 CD LYS A 100 -1.124 7.547 4.406 1.00 40.44 C ATOM 1350 CE LYS A 100 -0.949 8.352 3.136 1.00 24.33 C ATOM 1351 NZ LYS A 100 -1.403 9.738 3.292 1.00 15.45 N ATOM 0 H LYS A 100 -2.479 6.007 7.460 1.00 4.31 H new ATOM 0 HA LYS A 100 -2.490 4.495 4.952 1.00 42.14 H new ATOM 0 HB2 LYS A 100 -0.214 5.886 6.348 1.00 61.42 H new ATOM 0 HB3 LYS A 100 0.081 4.456 5.377 1.00 61.42 H new ATOM 0 HG2 LYS A 100 0.538 6.286 3.970 1.00 24.32 H new ATOM 0 HG3 LYS A 100 -1.006 5.655 3.432 1.00 24.32 H new ATOM 0 HD2 LYS A 100 -2.184 7.453 4.641 1.00 40.44 H new ATOM 0 HD3 LYS A 100 -0.658 8.069 5.242 1.00 40.44 H new ATOM 0 HE2 LYS A 100 0.102 8.346 2.846 1.00 24.33 H new ATOM 0 HE3 LYS A 100 -1.506 7.878 2.328 1.00 24.33 H new ATOM 0 HZ1 LYS A 100 -1.264 10.251 2.398 1.00 15.45 H new ATOM 0 HZ2 LYS A 100 -2.412 9.747 3.543 1.00 15.45 H new ATOM 0 HZ3 LYS A 100 -0.855 10.200 4.045 1.00 15.45 H new ATOM 1365 N LEU A 101 -2.449 2.508 6.428 1.00 23.44 N ATOM 1366 CA LEU A 101 -2.335 1.296 7.183 1.00 1.10 C ATOM 1367 C LEU A 101 -1.478 0.341 6.391 1.00 1.30 C ATOM 1368 O LEU A 101 -1.835 -0.019 5.268 1.00 0.24 O ATOM 1369 CB LEU A 101 -3.718 0.650 7.470 1.00 73.40 C ATOM 1370 CG LEU A 101 -4.750 1.448 8.313 1.00 21.10 C ATOM 1371 CD1 LEU A 101 -4.150 1.950 9.617 1.00 11.50 C ATOM 1372 CD2 LEU A 101 -5.405 2.581 7.519 1.00 63.13 C ATOM 0 H LEU A 101 -3.059 2.445 5.613 1.00 23.44 H new ATOM 0 HA LEU A 101 -1.887 1.523 8.151 1.00 1.10 H new ATOM 0 HB2 LEU A 101 -4.181 0.420 6.511 1.00 73.40 H new ATOM 0 HB3 LEU A 101 -3.542 -0.300 7.975 1.00 73.40 H new ATOM 0 HG LEU A 101 -5.545 0.747 8.570 1.00 21.10 H new ATOM 0 HD11 LEU A 101 -4.905 2.503 10.176 1.00 11.50 H new ATOM 0 HD12 LEU A 101 -3.808 1.102 10.210 1.00 11.50 H new ATOM 0 HD13 LEU A 101 -3.306 2.606 9.401 1.00 11.50 H new ATOM 0 HD21 LEU A 101 -6.117 3.106 8.155 1.00 63.13 H new ATOM 0 HD22 LEU A 101 -4.639 3.278 7.180 1.00 63.13 H new ATOM 0 HD23 LEU A 101 -5.926 2.167 6.656 1.00 63.13 H new ATOM 1384 N VAL A 102 -0.344 -0.033 6.924 1.00 21.32 N ATOM 1385 CA VAL A 102 0.527 -0.929 6.214 1.00 64.03 C ATOM 1386 C VAL A 102 0.788 -2.219 6.981 1.00 14.42 C ATOM 1387 O VAL A 102 1.195 -2.217 8.149 1.00 55.45 O ATOM 1388 CB VAL A 102 1.856 -0.258 5.725 1.00 63.31 C ATOM 1389 CG1 VAL A 102 2.683 0.304 6.880 1.00 61.53 C ATOM 1390 CG2 VAL A 102 2.682 -1.224 4.871 1.00 40.14 C ATOM 0 H VAL A 102 -0.005 0.266 7.838 1.00 21.32 H new ATOM 0 HA VAL A 102 -0.018 -1.199 5.310 1.00 64.03 H new ATOM 0 HB VAL A 102 1.571 0.588 5.100 1.00 63.31 H new ATOM 0 HG11 VAL A 102 3.593 0.758 6.489 1.00 61.53 H new ATOM 0 HG12 VAL A 102 2.101 1.057 7.411 1.00 61.53 H new ATOM 0 HG13 VAL A 102 2.945 -0.502 7.566 1.00 61.53 H new ATOM 0 HG21 VAL A 102 3.598 -0.730 4.546 1.00 40.14 H new ATOM 0 HG22 VAL A 102 2.934 -2.106 5.460 1.00 40.14 H new ATOM 0 HG23 VAL A 102 2.103 -1.524 3.998 1.00 40.14 H new ATOM 1400 N TRP A 103 0.513 -3.299 6.327 1.00 53.03 N ATOM 1401 CA TRP A 103 0.717 -4.611 6.857 1.00 33.11 C ATOM 1402 C TRP A 103 1.894 -5.219 6.215 1.00 64.01 C ATOM 1403 O TRP A 103 2.188 -4.952 5.047 1.00 74.44 O ATOM 1404 CB TRP A 103 -0.481 -5.526 6.596 1.00 64.54 C ATOM 1405 CG TRP A 103 -1.738 -5.091 7.236 1.00 15.44 C ATOM 1406 CD1 TRP A 103 -2.234 -5.514 8.428 1.00 41.54 C ATOM 1407 CD2 TRP A 103 -2.671 -4.157 6.717 1.00 12.45 C ATOM 1408 NE1 TRP A 103 -3.410 -4.878 8.694 1.00 43.20 N ATOM 1409 CE2 TRP A 103 -3.703 -4.043 7.653 1.00 24.31 C ATOM 1410 CE3 TRP A 103 -2.729 -3.398 5.547 1.00 24.14 C ATOM 1411 CZ2 TRP A 103 -4.772 -3.205 7.460 1.00 45.00 C ATOM 1412 CZ3 TRP A 103 -3.790 -2.568 5.359 1.00 35.10 C ATOM 1413 CH2 TRP A 103 -4.796 -2.475 6.303 1.00 75.12 C ATOM 0 H TRP A 103 0.129 -3.295 5.382 1.00 53.03 H new ATOM 0 HA TRP A 103 0.856 -4.508 7.933 1.00 33.11 H new ATOM 0 HB2 TRP A 103 -0.641 -5.595 5.520 1.00 64.54 H new ATOM 0 HB3 TRP A 103 -0.238 -6.529 6.947 1.00 64.54 H new ATOM 0 HD1 TRP A 103 -1.766 -6.246 9.070 1.00 41.54 H new ATOM 0 HE1 TRP A 103 -3.978 -5.005 9.532 1.00 43.20 H new ATOM 0 HE3 TRP A 103 -1.947 -3.468 4.806 1.00 24.14 H new ATOM 0 HZ2 TRP A 103 -5.562 -3.125 8.192 1.00 45.00 H new ATOM 0 HZ3 TRP A 103 -3.848 -1.973 4.459 1.00 35.10 H new ATOM 0 HH2 TRP A 103 -5.625 -1.807 6.122 1.00 75.12 H new ATOM 1424 N LYS A 104 2.572 -6.011 6.954 1.00 20.22 N ATOM 1425 CA LYS A 104 3.621 -6.784 6.435 1.00 53.31 C ATOM 1426 C LYS A 104 3.260 -8.197 6.722 1.00 51.32 C ATOM 1427 O LYS A 104 2.957 -8.546 7.874 1.00 33.41 O ATOM 1428 CB LYS A 104 4.994 -6.405 7.023 1.00 3.12 C ATOM 1429 CG LYS A 104 5.418 -4.976 6.707 1.00 63.12 C ATOM 1430 CD LYS A 104 6.850 -4.696 7.129 1.00 0.24 C ATOM 1431 CE LYS A 104 7.267 -3.288 6.723 1.00 34.31 C ATOM 1432 NZ LYS A 104 8.695 -3.011 7.008 1.00 74.32 N ATOM 0 H LYS A 104 2.408 -6.139 7.952 1.00 20.22 H new ATOM 0 HA LYS A 104 3.734 -6.610 5.365 1.00 53.31 H new ATOM 0 HB2 LYS A 104 4.966 -6.536 8.105 1.00 3.12 H new ATOM 0 HB3 LYS A 104 5.747 -7.092 6.638 1.00 3.12 H new ATOM 0 HG2 LYS A 104 5.315 -4.796 5.637 1.00 63.12 H new ATOM 0 HG3 LYS A 104 4.749 -4.280 7.213 1.00 63.12 H new ATOM 0 HD2 LYS A 104 6.945 -4.811 8.209 1.00 0.24 H new ATOM 0 HD3 LYS A 104 7.518 -5.425 6.670 1.00 0.24 H new ATOM 0 HE2 LYS A 104 7.080 -3.151 5.658 1.00 34.31 H new ATOM 0 HE3 LYS A 104 6.648 -2.563 7.252 1.00 34.31 H new ATOM 0 HZ1 LYS A 104 8.926 -2.041 6.713 1.00 74.32 H new ATOM 0 HZ2 LYS A 104 8.872 -3.114 8.028 1.00 74.32 H new ATOM 0 HZ3 LYS A 104 9.290 -3.683 6.484 1.00 74.32 H new ATOM 1446 N SER A 105 3.207 -8.985 5.699 1.00 14.05 N ATOM 1447 CA SER A 105 2.831 -10.360 5.825 1.00 50.03 C ATOM 1448 C SER A 105 3.947 -11.148 6.502 1.00 11.31 C ATOM 1449 O SER A 105 4.998 -10.569 6.851 1.00 22.44 O ATOM 1450 CB SER A 105 2.488 -10.915 4.450 1.00 21.03 C ATOM 1451 OG SER A 105 1.453 -10.132 3.853 1.00 21.25 O ATOM 0 H SER A 105 3.424 -8.694 4.746 1.00 14.05 H new ATOM 0 HA SER A 105 1.946 -10.451 6.455 1.00 50.03 H new ATOM 0 HB2 SER A 105 3.373 -10.908 3.814 1.00 21.03 H new ATOM 0 HB3 SER A 105 2.166 -11.953 4.537 1.00 21.03 H new ATOM 0 HG SER A 105 1.106 -10.597 3.063 1.00 21.25 H new ATOM 1640 N TRP A 117 8.869 -10.421 2.646 1.00 54.31 N ATOM 1641 CA TRP A 117 7.529 -10.431 3.157 1.00 52.31 C ATOM 1642 C TRP A 117 6.665 -9.731 2.140 1.00 41.23 C ATOM 1643 O TRP A 117 7.176 -9.221 1.155 1.00 22.13 O ATOM 1644 CB TRP A 117 7.475 -9.706 4.527 1.00 64.25 C ATOM 1645 CG TRP A 117 8.142 -8.358 4.514 1.00 13.33 C ATOM 1646 CD1 TRP A 117 7.638 -7.205 4.018 1.00 30.12 C ATOM 1647 CD2 TRP A 117 9.440 -8.036 5.026 1.00 73.42 C ATOM 1648 NE1 TRP A 117 8.546 -6.192 4.155 1.00 61.43 N ATOM 1649 CE2 TRP A 117 9.657 -6.672 4.776 1.00 60.34 C ATOM 1650 CE3 TRP A 117 10.441 -8.770 5.663 1.00 54.34 C ATOM 1651 CZ2 TRP A 117 10.832 -6.028 5.137 1.00 40.51 C ATOM 1652 CZ3 TRP A 117 11.603 -8.126 6.026 1.00 22.43 C ATOM 1653 CH2 TRP A 117 11.787 -6.771 5.761 1.00 71.44 C ATOM 0 HA TRP A 117 7.175 -11.449 3.317 1.00 52.31 H new ATOM 0 HB2 TRP A 117 6.434 -9.585 4.825 1.00 64.25 H new ATOM 0 HB3 TRP A 117 7.952 -10.332 5.281 1.00 64.25 H new ATOM 0 HD1 TRP A 117 6.658 -7.100 3.577 1.00 30.12 H new ATOM 0 HE1 TRP A 117 8.412 -5.231 3.842 1.00 61.43 H new ATOM 0 HE3 TRP A 117 10.307 -9.822 5.867 1.00 54.34 H new ATOM 0 HZ2 TRP A 117 10.983 -4.979 4.931 1.00 40.51 H new ATOM 0 HZ3 TRP A 117 12.384 -8.681 6.524 1.00 22.43 H new ATOM 0 HH2 TRP A 117 12.711 -6.298 6.058 1.00 71.44 H new ATOM 1664 N ASP A 118 5.398 -9.724 2.330 1.00 51.14 N ATOM 1665 CA ASP A 118 4.537 -9.023 1.407 1.00 51.05 C ATOM 1666 C ASP A 118 4.057 -7.804 2.122 1.00 25.11 C ATOM 1667 O ASP A 118 3.789 -7.866 3.323 1.00 10.13 O ATOM 1668 CB ASP A 118 3.330 -9.865 1.006 1.00 2.42 C ATOM 1669 CG ASP A 118 3.668 -11.311 0.672 1.00 5.24 C ATOM 1670 OD1 ASP A 118 4.321 -11.569 -0.358 1.00 14.22 O ATOM 1671 OD2 ASP A 118 3.280 -12.214 1.446 1.00 61.42 O ATOM 0 H ASP A 118 4.922 -10.187 3.104 1.00 51.14 H new ATOM 0 HA ASP A 118 5.087 -8.788 0.496 1.00 51.05 H new ATOM 0 HB2 ASP A 118 2.604 -9.851 1.819 1.00 2.42 H new ATOM 0 HB3 ASP A 118 2.850 -9.406 0.142 1.00 2.42 H new ATOM 1676 N GLU A 119 3.956 -6.712 1.446 1.00 11.15 N ATOM 1677 CA GLU A 119 3.503 -5.492 2.104 1.00 34.24 C ATOM 1678 C GLU A 119 2.184 -5.048 1.538 1.00 15.22 C ATOM 1679 O GLU A 119 1.905 -5.234 0.350 1.00 24.10 O ATOM 1680 CB GLU A 119 4.536 -4.356 2.026 1.00 74.31 C ATOM 1681 CG GLU A 119 5.864 -4.708 2.651 1.00 41.35 C ATOM 1682 CD GLU A 119 6.895 -3.594 2.618 1.00 12.12 C ATOM 1683 OE1 GLU A 119 7.898 -3.680 3.364 1.00 53.54 O ATOM 1684 OE2 GLU A 119 6.754 -2.616 1.864 1.00 52.45 O ATOM 0 H GLU A 119 4.172 -6.618 0.454 1.00 11.15 H new ATOM 0 HA GLU A 119 3.377 -5.730 3.160 1.00 34.24 H new ATOM 0 HB2 GLU A 119 4.694 -4.090 0.981 1.00 74.31 H new ATOM 0 HB3 GLU A 119 4.132 -3.473 2.522 1.00 74.31 H new ATOM 0 HG2 GLU A 119 5.696 -4.999 3.688 1.00 41.35 H new ATOM 0 HG3 GLU A 119 6.273 -5.578 2.138 1.00 41.35 H new ATOM 1691 N ALA A 120 1.367 -4.510 2.384 1.00 51.24 N ATOM 1692 CA ALA A 120 0.078 -4.029 1.997 1.00 72.54 C ATOM 1693 C ALA A 120 -0.138 -2.667 2.593 1.00 14.02 C ATOM 1694 O ALA A 120 -0.160 -2.522 3.795 1.00 61.41 O ATOM 1695 CB ALA A 120 -0.994 -4.992 2.466 1.00 73.12 C ATOM 0 H ALA A 120 1.577 -4.390 3.375 1.00 51.24 H new ATOM 0 HA ALA A 120 0.022 -3.956 0.911 1.00 72.54 H new ATOM 0 HB1 ALA A 120 -1.974 -4.619 2.168 1.00 73.12 H new ATOM 0 HB2 ALA A 120 -0.826 -5.971 2.016 1.00 73.12 H new ATOM 0 HB3 ALA A 120 -0.954 -5.080 3.552 1.00 73.12 H new ATOM 1701 N GLU A 121 -0.287 -1.695 1.758 1.00 3.34 N ATOM 1702 CA GLU A 121 -0.461 -0.329 2.171 1.00 14.31 C ATOM 1703 C GLU A 121 -1.846 0.156 1.741 1.00 24.11 C ATOM 1704 O GLU A 121 -2.106 0.303 0.569 1.00 54.43 O ATOM 1705 CB GLU A 121 0.598 0.564 1.494 1.00 12.01 C ATOM 1706 CG GLU A 121 2.054 0.185 1.752 1.00 12.34 C ATOM 1707 CD GLU A 121 3.020 1.151 1.099 1.00 2.13 C ATOM 1708 OE1 GLU A 121 3.796 0.749 0.189 1.00 52.45 O ATOM 1709 OE2 GLU A 121 2.991 2.352 1.461 1.00 62.25 O ATOM 0 H GLU A 121 -0.292 -1.823 0.746 1.00 3.34 H new ATOM 0 HA GLU A 121 -0.356 -0.271 3.254 1.00 14.31 H new ATOM 0 HB2 GLU A 121 0.424 0.548 0.418 1.00 12.01 H new ATOM 0 HB3 GLU A 121 0.446 1.591 1.827 1.00 12.01 H new ATOM 0 HG2 GLU A 121 2.237 0.161 2.826 1.00 12.34 H new ATOM 0 HG3 GLU A 121 2.238 -0.821 1.375 1.00 12.34 H new ATOM 1716 N ALA A 122 -2.718 0.366 2.669 1.00 34.44 N ATOM 1717 CA ALA A 122 -4.018 0.909 2.382 1.00 43.22 C ATOM 1718 C ALA A 122 -4.027 2.399 2.707 1.00 42.13 C ATOM 1719 O ALA A 122 -3.676 2.801 3.822 1.00 61.23 O ATOM 1720 CB ALA A 122 -5.084 0.175 3.176 1.00 51.43 C ATOM 0 H ALA A 122 -2.555 0.167 3.656 1.00 34.44 H new ATOM 0 HA ALA A 122 -4.240 0.778 1.323 1.00 43.22 H new ATOM 0 HB1 ALA A 122 -6.063 0.597 2.948 1.00 51.43 H new ATOM 0 HB2 ALA A 122 -5.074 -0.882 2.909 1.00 51.43 H new ATOM 0 HB3 ALA A 122 -4.882 0.282 4.242 1.00 51.43 H new ATOM 1726 N TYR A 123 -4.406 3.203 1.735 1.00 54.24 N ATOM 1727 CA TYR A 123 -4.426 4.649 1.863 1.00 74.42 C ATOM 1728 C TYR A 123 -5.877 5.122 1.857 1.00 62.52 C ATOM 1729 O TYR A 123 -6.614 4.868 0.889 1.00 45.11 O ATOM 1730 CB TYR A 123 -3.707 5.303 0.662 1.00 20.34 C ATOM 1731 CG TYR A 123 -2.328 4.752 0.351 1.00 51.03 C ATOM 1732 CD1 TYR A 123 -2.170 3.667 -0.503 1.00 22.30 C ATOM 1733 CD2 TYR A 123 -1.193 5.319 0.895 1.00 71.12 C ATOM 1734 CE1 TYR A 123 -0.926 3.170 -0.795 1.00 44.54 C ATOM 1735 CE2 TYR A 123 0.059 4.825 0.608 1.00 21.34 C ATOM 1736 CZ TYR A 123 0.186 3.752 -0.237 1.00 44.21 C ATOM 1737 OH TYR A 123 1.430 3.252 -0.526 1.00 52.22 O ATOM 0 H TYR A 123 -4.713 2.868 0.822 1.00 54.24 H new ATOM 0 HA TYR A 123 -3.924 4.929 2.789 1.00 74.42 H new ATOM 0 HB2 TYR A 123 -4.334 5.187 -0.222 1.00 20.34 H new ATOM 0 HB3 TYR A 123 -3.618 6.373 0.852 1.00 20.34 H new ATOM 0 HD1 TYR A 123 -3.042 3.207 -0.944 1.00 22.30 H new ATOM 0 HD2 TYR A 123 -1.289 6.166 1.558 1.00 71.12 H new ATOM 0 HE1 TYR A 123 -0.821 2.326 -1.460 1.00 44.54 H new ATOM 0 HE2 TYR A 123 0.936 5.279 1.045 1.00 21.34 H new ATOM 0 HH TYR A 123 1.984 3.267 0.282 1.00 52.22 H new ATOM 1747 N ILE A 124 -6.286 5.788 2.909 1.00 50.44 N ATOM 1748 CA ILE A 124 -7.646 6.317 3.022 1.00 31.42 C ATOM 1749 C ILE A 124 -7.565 7.833 3.189 1.00 2.44 C ATOM 1750 O ILE A 124 -6.547 8.337 3.669 1.00 44.10 O ATOM 1751 CB ILE A 124 -8.382 5.737 4.269 1.00 22.32 C ATOM 1752 CG1 ILE A 124 -8.366 4.218 4.289 1.00 42.03 C ATOM 1753 CG2 ILE A 124 -9.820 6.230 4.356 1.00 72.41 C ATOM 1754 CD1 ILE A 124 -9.190 3.649 5.430 1.00 70.23 C ATOM 0 H ILE A 124 -5.695 5.985 3.717 1.00 50.44 H new ATOM 0 HA ILE A 124 -8.197 6.037 2.124 1.00 31.42 H new ATOM 0 HB ILE A 124 -7.832 6.099 5.137 1.00 22.32 H new ATOM 0 HG12 ILE A 124 -8.751 3.840 3.342 1.00 42.03 H new ATOM 0 HG13 ILE A 124 -7.337 3.869 4.377 1.00 42.03 H new ATOM 0 HG21 ILE A 124 -10.298 5.804 5.238 1.00 72.41 H new ATOM 0 HG22 ILE A 124 -9.828 7.318 4.429 1.00 72.41 H new ATOM 0 HG23 ILE A 124 -10.365 5.922 3.463 1.00 72.41 H new ATOM 0 HD11 ILE A 124 -9.147 2.560 5.402 1.00 70.23 H new ATOM 0 HD12 ILE A 124 -8.790 4.003 6.380 1.00 70.23 H new ATOM 0 HD13 ILE A 124 -10.225 3.974 5.329 1.00 70.23 H new ATOM 1766 N TRP A 125 -8.593 8.555 2.783 1.00 20.14 N ATOM 1767 CA TRP A 125 -8.647 9.974 3.012 1.00 73.43 C ATOM 1768 C TRP A 125 -10.084 10.355 3.367 1.00 21.30 C ATOM 1769 O TRP A 125 -11.048 9.625 3.026 1.00 21.11 O ATOM 1770 CB TRP A 125 -8.095 10.794 1.811 1.00 63.20 C ATOM 1771 CG TRP A 125 -9.108 11.296 0.816 1.00 54.43 C ATOM 1772 CD1 TRP A 125 -9.503 12.591 0.660 1.00 41.04 C ATOM 1773 CD2 TRP A 125 -9.854 10.539 -0.139 1.00 13.22 C ATOM 1774 NE1 TRP A 125 -10.434 12.685 -0.330 1.00 74.14 N ATOM 1775 CE2 TRP A 125 -10.671 11.443 -0.840 1.00 10.52 C ATOM 1776 CE3 TRP A 125 -9.911 9.196 -0.470 1.00 65.34 C ATOM 1777 CZ2 TRP A 125 -11.530 11.038 -1.853 1.00 13.41 C ATOM 1778 CZ3 TRP A 125 -10.762 8.795 -1.471 1.00 41.24 C ATOM 1779 CH2 TRP A 125 -11.563 9.711 -2.154 1.00 61.23 C ATOM 0 H TRP A 125 -9.401 8.174 2.292 1.00 20.14 H new ATOM 0 HA TRP A 125 -7.993 10.225 3.847 1.00 73.43 H new ATOM 0 HB2 TRP A 125 -7.551 11.652 2.206 1.00 63.20 H new ATOM 0 HB3 TRP A 125 -7.372 10.175 1.279 1.00 63.20 H new ATOM 0 HD1 TRP A 125 -9.131 13.424 1.239 1.00 41.04 H new ATOM 0 HE1 TRP A 125 -10.882 13.547 -0.640 1.00 74.14 H new ATOM 0 HE3 TRP A 125 -9.297 8.476 0.050 1.00 65.34 H new ATOM 0 HZ2 TRP A 125 -12.148 11.749 -2.382 1.00 13.41 H new ATOM 0 HZ3 TRP A 125 -10.812 7.749 -1.735 1.00 41.24 H new ATOM 0 HH2 TRP A 125 -12.221 9.361 -2.936 1.00 61.23 H new ATOM 1790 N ARG A 126 -10.242 11.398 4.118 1.00 1.33 N ATOM 1791 CA ARG A 126 -11.555 11.851 4.465 1.00 10.22 C ATOM 1792 C ARG A 126 -12.108 12.657 3.311 1.00 13.14 C ATOM 1793 O ARG A 126 -11.568 13.708 2.975 1.00 31.34 O ATOM 1794 CB ARG A 126 -11.509 12.682 5.737 1.00 45.01 C ATOM 1795 CG ARG A 126 -12.863 13.187 6.209 1.00 5.31 C ATOM 1796 CD ARG A 126 -12.719 13.925 7.520 1.00 71.42 C ATOM 1797 NE ARG A 126 -12.161 13.051 8.569 1.00 0.52 N ATOM 1798 CZ ARG A 126 -11.778 13.455 9.788 1.00 74.10 C ATOM 1799 NH1 ARG A 126 -12.052 14.699 10.200 1.00 72.33 N ATOM 1800 NH2 ARG A 126 -11.156 12.595 10.601 1.00 12.31 N ATOM 0 H ARG A 126 -9.479 11.954 4.504 1.00 1.33 H new ATOM 0 HA ARG A 126 -12.206 10.997 4.654 1.00 10.22 H new ATOM 0 HB2 ARG A 126 -11.062 12.084 6.531 1.00 45.01 H new ATOM 0 HB3 ARG A 126 -10.853 13.537 5.574 1.00 45.01 H new ATOM 0 HG2 ARG A 126 -13.295 13.848 5.457 1.00 5.31 H new ATOM 0 HG3 ARG A 126 -13.550 12.349 6.329 1.00 5.31 H new ATOM 0 HD2 ARG A 126 -12.071 14.791 7.383 1.00 71.42 H new ATOM 0 HD3 ARG A 126 -13.692 14.301 7.837 1.00 71.42 H new ATOM 0 HE ARG A 126 -12.058 12.060 8.349 1.00 0.52 H new ATOM 0 HH11 ARG A 126 -12.553 15.341 9.586 1.00 72.33 H new ATOM 0 HH12 ARG A 126 -11.760 15.005 11.128 1.00 72.33 H new ATOM 0 HH21 ARG A 126 -10.976 11.640 10.292 1.00 12.31 H new ATOM 0 HH22 ARG A 126 -10.861 12.894 11.530 1.00 12.31 H new ATOM 1814 N ARG A 127 -13.160 12.165 2.703 1.00 4.42 N ATOM 1815 CA ARG A 127 -13.738 12.829 1.573 1.00 3.11 C ATOM 1816 C ARG A 127 -14.570 13.969 2.143 1.00 74.52 C ATOM 1817 O ARG A 127 -15.230 13.782 3.181 1.00 11.53 O ATOM 1818 CB ARG A 127 -14.594 11.822 0.782 1.00 31.43 C ATOM 1819 CG ARG A 127 -14.906 12.219 -0.642 1.00 0.43 C ATOM 1820 CD ARG A 127 -15.711 11.148 -1.359 1.00 1.25 C ATOM 1821 NE ARG A 127 -15.700 11.341 -2.816 1.00 24.14 N ATOM 1822 CZ ARG A 127 -16.725 11.132 -3.651 1.00 12.41 C ATOM 1823 NH1 ARG A 127 -17.943 10.916 -3.185 1.00 51.55 N ATOM 1824 NH2 ARG A 127 -16.528 11.181 -4.960 1.00 60.05 N ATOM 0 H ARG A 127 -13.631 11.303 2.978 1.00 4.42 H new ATOM 0 HA ARG A 127 -12.993 13.222 0.881 1.00 3.11 H new ATOM 0 HB2 ARG A 127 -14.078 10.862 0.769 1.00 31.43 H new ATOM 0 HB3 ARG A 127 -15.533 11.672 1.314 1.00 31.43 H new ATOM 0 HG2 ARG A 127 -15.463 13.156 -0.645 1.00 0.43 H new ATOM 0 HG3 ARG A 127 -13.976 12.399 -1.182 1.00 0.43 H new ATOM 0 HD2 ARG A 127 -15.304 10.166 -1.119 1.00 1.25 H new ATOM 0 HD3 ARG A 127 -16.739 11.163 -0.998 1.00 1.25 H new ATOM 0 HE ARG A 127 -14.827 11.666 -3.231 1.00 24.14 H new ATOM 0 HH11 ARG A 127 -18.110 10.907 -2.179 1.00 51.55 H new ATOM 0 HH12 ARG A 127 -18.716 10.758 -3.832 1.00 51.55 H new ATOM 0 HH21 ARG A 127 -15.597 11.377 -5.329 1.00 60.05 H new ATOM 0 HH22 ARG A 127 -17.307 11.022 -5.599 1.00 60.05 H new ATOM 1838 N LYS A 128 -14.561 15.129 1.493 1.00 72.11 N ATOM 1839 CA LYS A 128 -15.169 16.344 2.065 1.00 14.43 C ATOM 1840 C LYS A 128 -16.691 16.201 2.227 1.00 51.42 C ATOM 1841 O LYS A 128 -17.332 16.955 2.967 1.00 32.21 O ATOM 1842 CB LYS A 128 -14.812 17.590 1.237 1.00 73.11 C ATOM 1843 CG LYS A 128 -15.186 18.888 1.933 1.00 44.41 C ATOM 1844 CD LYS A 128 -14.883 20.111 1.105 1.00 13.44 C ATOM 1845 CE LYS A 128 -15.223 21.366 1.888 1.00 24.42 C ATOM 1846 NZ LYS A 128 -15.012 22.599 1.105 1.00 53.02 N ATOM 0 H LYS A 128 -14.143 15.262 0.572 1.00 72.11 H new ATOM 0 HA LYS A 128 -14.749 16.474 3.062 1.00 14.43 H new ATOM 0 HB2 LYS A 128 -13.742 17.589 1.031 1.00 73.11 H new ATOM 0 HB3 LYS A 128 -15.322 17.539 0.275 1.00 73.11 H new ATOM 0 HG2 LYS A 128 -16.249 18.872 2.171 1.00 44.41 H new ATOM 0 HG3 LYS A 128 -14.648 18.954 2.879 1.00 44.41 H new ATOM 0 HD2 LYS A 128 -13.829 20.120 0.827 1.00 13.44 H new ATOM 0 HD3 LYS A 128 -15.456 20.084 0.178 1.00 13.44 H new ATOM 0 HE2 LYS A 128 -16.263 21.318 2.210 1.00 24.42 H new ATOM 0 HE3 LYS A 128 -14.612 21.404 2.790 1.00 24.42 H new ATOM 0 HZ1 LYS A 128 -15.259 23.426 1.686 1.00 53.02 H new ATOM 0 HZ2 LYS A 128 -14.014 22.662 0.819 1.00 53.02 H new ATOM 0 HZ3 LYS A 128 -15.614 22.579 0.257 1.00 53.02 H new ATOM 1860 N ASP A 129 -17.232 15.194 1.575 1.00 72.33 N ATOM 1861 CA ASP A 129 -18.650 14.836 1.629 1.00 21.21 C ATOM 1862 C ASP A 129 -19.057 14.386 3.034 1.00 13.54 C ATOM 1863 O ASP A 129 -20.247 14.321 3.362 1.00 31.41 O ATOM 1864 CB ASP A 129 -18.928 13.688 0.645 1.00 23.13 C ATOM 1865 CG ASP A 129 -18.711 14.063 -0.802 1.00 43.25 C ATOM 1866 OD1 ASP A 129 -17.568 14.405 -1.175 1.00 54.32 O ATOM 1867 OD2 ASP A 129 -19.669 13.989 -1.603 1.00 22.33 O ATOM 0 H ASP A 129 -16.688 14.577 0.972 1.00 72.33 H new ATOM 0 HA ASP A 129 -19.229 15.720 1.361 1.00 21.21 H new ATOM 0 HB2 ASP A 129 -18.284 12.845 0.893 1.00 23.13 H new ATOM 0 HB3 ASP A 129 -19.957 13.352 0.774 1.00 23.13 H new ATOM 1872 N GLY A 130 -18.074 14.064 3.857 1.00 23.42 N ATOM 1873 CA GLY A 130 -18.344 13.648 5.216 1.00 24.22 C ATOM 1874 C GLY A 130 -18.157 12.170 5.394 1.00 63.40 C ATOM 1875 O GLY A 130 -18.194 11.645 6.506 1.00 62.34 O ATOM 0 H GLY A 130 -17.086 14.083 3.606 1.00 23.42 H new ATOM 0 HA2 GLY A 130 -17.683 14.183 5.898 1.00 24.22 H new ATOM 0 HA3 GLY A 130 -19.365 13.920 5.483 1.00 24.22 H new ATOM 1879 N SER A 131 -17.972 11.507 4.303 1.00 35.12 N ATOM 1880 CA SER A 131 -17.785 10.108 4.285 1.00 14.41 C ATOM 1881 C SER A 131 -16.321 9.875 4.038 1.00 34.13 C ATOM 1882 O SER A 131 -15.745 10.495 3.158 1.00 63.42 O ATOM 1883 CB SER A 131 -18.653 9.504 3.165 1.00 71.14 C ATOM 1884 OG SER A 131 -18.596 8.088 3.129 1.00 35.21 O ATOM 0 H SER A 131 -17.947 11.940 3.380 1.00 35.12 H new ATOM 0 HA SER A 131 -18.081 9.635 5.221 1.00 14.41 H new ATOM 0 HB2 SER A 131 -19.687 9.818 3.304 1.00 71.14 H new ATOM 0 HB3 SER A 131 -18.326 9.901 2.204 1.00 71.14 H new ATOM 0 HG SER A 131 -19.165 7.756 2.403 1.00 35.21 H new ATOM 1890 N CYS A 132 -15.702 9.070 4.818 1.00 62.42 N ATOM 1891 CA CYS A 132 -14.330 8.775 4.598 1.00 4.43 C ATOM 1892 C CYS A 132 -14.261 7.672 3.560 1.00 73.33 C ATOM 1893 O CYS A 132 -15.025 6.693 3.630 1.00 1.14 O ATOM 1894 CB CYS A 132 -13.674 8.364 5.892 1.00 34.03 C ATOM 1895 SG CYS A 132 -11.874 8.367 5.842 1.00 44.41 S ATOM 0 H CYS A 132 -16.123 8.600 5.619 1.00 62.42 H new ATOM 0 HA CYS A 132 -13.793 9.651 4.235 1.00 4.43 H new ATOM 0 HB2 CYS A 132 -14.005 9.036 6.684 1.00 34.03 H new ATOM 0 HB3 CYS A 132 -14.017 7.364 6.159 1.00 34.03 H new ATOM 0 HG CYS A 132 -11.474 8.687 4.647 1.00 44.41 H new ATOM 1901 N TRP A 133 -13.391 7.817 2.600 1.00 54.22 N ATOM 1902 CA TRP A 133 -13.360 6.889 1.517 1.00 53.25 C ATOM 1903 C TRP A 133 -11.924 6.468 1.265 1.00 62.44 C ATOM 1904 O TRP A 133 -10.992 7.191 1.623 1.00 61.35 O ATOM 1905 CB TRP A 133 -13.984 7.544 0.280 1.00 43.25 C ATOM 1906 CG TRP A 133 -14.696 6.581 -0.615 1.00 15.43 C ATOM 1907 CD1 TRP A 133 -15.853 5.930 -0.327 1.00 72.13 C ATOM 1908 CD2 TRP A 133 -14.334 6.185 -1.941 1.00 33.52 C ATOM 1909 NE1 TRP A 133 -16.221 5.134 -1.368 1.00 51.44 N ATOM 1910 CE2 TRP A 133 -15.310 5.276 -2.378 1.00 32.52 C ATOM 1911 CE3 TRP A 133 -13.283 6.501 -2.797 1.00 12.43 C ATOM 1912 CZ2 TRP A 133 -15.264 4.682 -3.630 1.00 73.22 C ATOM 1913 CZ3 TRP A 133 -13.239 5.909 -4.039 1.00 61.45 C ATOM 1914 CH2 TRP A 133 -14.223 5.012 -4.442 1.00 63.40 C ATOM 0 H TRP A 133 -12.700 8.566 2.550 1.00 54.22 H new ATOM 0 HA TRP A 133 -13.937 5.996 1.756 1.00 53.25 H new ATOM 0 HB2 TRP A 133 -14.685 8.314 0.602 1.00 43.25 H new ATOM 0 HB3 TRP A 133 -13.201 8.045 -0.289 1.00 43.25 H new ATOM 0 HD1 TRP A 133 -16.403 6.030 0.597 1.00 72.13 H new ATOM 0 HE1 TRP A 133 -17.043 4.530 -1.391 1.00 51.44 H new ATOM 0 HE3 TRP A 133 -12.516 7.198 -2.492 1.00 12.43 H new ATOM 0 HZ2 TRP A 133 -16.025 3.985 -3.948 1.00 73.22 H new ATOM 0 HZ3 TRP A 133 -12.427 6.145 -4.711 1.00 61.45 H new ATOM 0 HH2 TRP A 133 -14.159 4.566 -5.424 1.00 63.40 H new ATOM 1925 N LEU A 134 -11.741 5.307 0.708 1.00 12.25 N ATOM 1926 CA LEU A 134 -10.415 4.803 0.445 1.00 62.31 C ATOM 1927 C LEU A 134 -9.807 5.510 -0.745 1.00 15.14 C ATOM 1928 O LEU A 134 -10.416 5.603 -1.794 1.00 40.32 O ATOM 1929 CB LEU A 134 -10.391 3.274 0.235 1.00 74.11 C ATOM 1930 CG LEU A 134 -10.578 2.366 1.478 1.00 42.30 C ATOM 1931 CD1 LEU A 134 -11.958 2.499 2.106 1.00 2.51 C ATOM 1932 CD2 LEU A 134 -10.295 0.924 1.111 1.00 43.21 C ATOM 0 H LEU A 134 -12.496 4.683 0.423 1.00 12.25 H new ATOM 0 HA LEU A 134 -9.815 5.011 1.331 1.00 62.31 H new ATOM 0 HB2 LEU A 134 -11.172 3.023 -0.482 1.00 74.11 H new ATOM 0 HB3 LEU A 134 -9.438 3.015 -0.227 1.00 74.11 H new ATOM 0 HG LEU A 134 -9.863 2.699 2.231 1.00 42.30 H new ATOM 0 HD11 LEU A 134 -12.029 1.840 2.971 1.00 2.51 H new ATOM 0 HD12 LEU A 134 -12.116 3.530 2.422 1.00 2.51 H new ATOM 0 HD13 LEU A 134 -12.718 2.222 1.376 1.00 2.51 H new ATOM 0 HD21 LEU A 134 -10.428 0.292 1.989 1.00 43.21 H new ATOM 0 HD22 LEU A 134 -10.983 0.606 0.327 1.00 43.21 H new ATOM 0 HD23 LEU A 134 -9.270 0.834 0.752 1.00 43.21 H new ATOM 1944 N HIS A 135 -8.611 6.008 -0.558 1.00 4.21 N ATOM 1945 CA HIS A 135 -7.885 6.717 -1.584 1.00 73.21 C ATOM 1946 C HIS A 135 -7.424 5.713 -2.609 1.00 10.51 C ATOM 1947 O HIS A 135 -7.763 5.810 -3.793 1.00 32.03 O ATOM 1948 CB HIS A 135 -6.685 7.481 -0.943 1.00 63.12 C ATOM 1949 CG HIS A 135 -5.738 8.174 -1.900 1.00 4.42 C ATOM 1950 ND1 HIS A 135 -5.782 9.517 -2.207 1.00 33.41 N ATOM 1951 CD2 HIS A 135 -4.668 7.677 -2.574 1.00 63.55 C ATOM 1952 CE1 HIS A 135 -4.768 9.786 -3.036 1.00 44.32 C ATOM 1953 NE2 HIS A 135 -4.056 8.696 -3.289 1.00 1.34 N ATOM 0 H HIS A 135 -8.105 5.932 0.325 1.00 4.21 H new ATOM 0 HA HIS A 135 -8.519 7.457 -2.073 1.00 73.21 H new ATOM 0 HB2 HIS A 135 -7.083 8.228 -0.256 1.00 63.12 H new ATOM 0 HB3 HIS A 135 -6.110 6.774 -0.346 1.00 63.12 H new ATOM 0 HD2 HIS A 135 -4.344 6.647 -2.556 1.00 63.55 H new ATOM 0 HE1 HIS A 135 -4.557 10.763 -3.446 1.00 44.32 H new ATOM 0 HE2 HIS A 135 -3.231 8.622 -3.885 1.00 1.34 H new ATOM 1961 N SER A 136 -6.693 4.726 -2.137 1.00 1.54 N ATOM 1962 CA SER A 136 -6.139 3.653 -2.947 1.00 52.11 C ATOM 1963 C SER A 136 -5.540 2.660 -1.999 1.00 5.15 C ATOM 1964 O SER A 136 -5.263 3.005 -0.868 1.00 32.52 O ATOM 1965 CB SER A 136 -5.015 4.154 -3.900 1.00 64.23 C ATOM 1966 OG SER A 136 -5.465 5.155 -4.807 1.00 32.42 O ATOM 0 H SER A 136 -6.458 4.642 -1.148 1.00 1.54 H new ATOM 0 HA SER A 136 -6.931 3.229 -3.564 1.00 52.11 H new ATOM 0 HB2 SER A 136 -4.192 4.552 -3.306 1.00 64.23 H new ATOM 0 HB3 SER A 136 -4.621 3.309 -4.465 1.00 64.23 H new ATOM 0 HG SER A 136 -6.442 5.222 -4.762 1.00 32.42 H new ATOM 1972 N VAL A 137 -5.381 1.447 -2.407 1.00 23.11 N ATOM 1973 CA VAL A 137 -4.669 0.510 -1.591 1.00 54.34 C ATOM 1974 C VAL A 137 -3.661 -0.185 -2.471 1.00 4.33 C ATOM 1975 O VAL A 137 -3.874 -0.330 -3.669 1.00 32.13 O ATOM 1976 CB VAL A 137 -5.556 -0.509 -0.793 1.00 3.44 C ATOM 1977 CG1 VAL A 137 -6.728 0.153 -0.082 1.00 44.41 C ATOM 1978 CG2 VAL A 137 -6.004 -1.676 -1.612 1.00 33.15 C ATOM 0 H VAL A 137 -5.729 1.078 -3.292 1.00 23.11 H new ATOM 0 HA VAL A 137 -4.182 1.073 -0.795 1.00 54.34 H new ATOM 0 HB VAL A 137 -4.896 -0.906 -0.022 1.00 3.44 H new ATOM 0 HG11 VAL A 137 -7.304 -0.603 0.452 1.00 44.41 H new ATOM 0 HG12 VAL A 137 -6.353 0.892 0.627 1.00 44.41 H new ATOM 0 HG13 VAL A 137 -7.367 0.645 -0.815 1.00 44.41 H new ATOM 0 HG21 VAL A 137 -6.613 -2.339 -0.998 1.00 33.15 H new ATOM 0 HG22 VAL A 137 -6.594 -1.322 -2.458 1.00 33.15 H new ATOM 0 HG23 VAL A 137 -5.133 -2.219 -1.979 1.00 33.15 H new ATOM 1988 N LYS A 138 -2.592 -0.563 -1.908 1.00 25.53 N ATOM 1989 CA LYS A 138 -1.483 -1.085 -2.622 1.00 43.04 C ATOM 1990 C LYS A 138 -1.003 -2.369 -1.974 1.00 2.11 C ATOM 1991 O LYS A 138 -0.837 -2.437 -0.768 1.00 73.13 O ATOM 1992 CB LYS A 138 -0.406 -0.027 -2.545 1.00 61.43 C ATOM 1993 CG LYS A 138 0.919 -0.358 -3.158 1.00 32.12 C ATOM 1994 CD LYS A 138 1.908 0.687 -2.697 1.00 71.12 C ATOM 1995 CE LYS A 138 3.318 0.410 -3.130 1.00 74.41 C ATOM 1996 NZ LYS A 138 4.251 1.314 -2.436 1.00 5.44 N ATOM 0 H LYS A 138 -2.447 -0.521 -0.899 1.00 25.53 H new ATOM 0 HA LYS A 138 -1.743 -1.318 -3.655 1.00 43.04 H new ATOM 0 HB2 LYS A 138 -0.784 0.876 -3.024 1.00 61.43 H new ATOM 0 HB3 LYS A 138 -0.242 0.214 -1.495 1.00 61.43 H new ATOM 0 HG2 LYS A 138 1.244 -1.353 -2.854 1.00 32.12 H new ATOM 0 HG3 LYS A 138 0.847 -0.364 -4.246 1.00 32.12 H new ATOM 0 HD2 LYS A 138 1.603 1.660 -3.082 1.00 71.12 H new ATOM 0 HD3 LYS A 138 1.876 0.751 -1.609 1.00 71.12 H new ATOM 0 HE2 LYS A 138 3.576 -0.627 -2.913 1.00 74.41 H new ATOM 0 HE3 LYS A 138 3.407 0.542 -4.208 1.00 74.41 H new ATOM 0 HZ1 LYS A 138 5.229 1.005 -2.611 1.00 5.44 H new ATOM 0 HZ2 LYS A 138 4.125 2.283 -2.792 1.00 5.44 H new ATOM 0 HZ3 LYS A 138 4.059 1.293 -1.414 1.00 5.44 H new ATOM 2010 N PHE A 139 -0.804 -3.362 -2.764 1.00 73.52 N ATOM 2011 CA PHE A 139 -0.307 -4.627 -2.321 1.00 43.23 C ATOM 2012 C PHE A 139 0.959 -4.927 -3.072 1.00 71.20 C ATOM 2013 O PHE A 139 0.999 -4.825 -4.291 1.00 31.12 O ATOM 2014 CB PHE A 139 -1.333 -5.733 -2.580 1.00 74.10 C ATOM 2015 CG PHE A 139 -2.623 -5.528 -1.862 1.00 14.21 C ATOM 2016 CD1 PHE A 139 -3.780 -5.228 -2.552 1.00 5.10 C ATOM 2017 CD2 PHE A 139 -2.670 -5.613 -0.494 1.00 33.23 C ATOM 2018 CE1 PHE A 139 -4.962 -5.023 -1.878 1.00 41.55 C ATOM 2019 CE2 PHE A 139 -3.840 -5.410 0.189 1.00 43.22 C ATOM 2020 CZ PHE A 139 -4.993 -5.113 -0.501 1.00 42.13 C ATOM 0 H PHE A 139 -0.986 -3.322 -3.767 1.00 73.52 H new ATOM 0 HA PHE A 139 -0.115 -4.586 -1.249 1.00 43.23 H new ATOM 0 HB2 PHE A 139 -1.528 -5.793 -3.651 1.00 74.10 H new ATOM 0 HB3 PHE A 139 -0.907 -6.690 -2.279 1.00 74.10 H new ATOM 0 HD1 PHE A 139 -3.758 -5.154 -3.629 1.00 5.10 H new ATOM 0 HD2 PHE A 139 -1.769 -5.844 0.054 1.00 33.23 H new ATOM 0 HE1 PHE A 139 -5.864 -4.792 -2.425 1.00 41.55 H new ATOM 0 HE2 PHE A 139 -3.857 -5.483 1.266 1.00 43.22 H new ATOM 0 HZ PHE A 139 -5.918 -4.951 0.032 1.00 42.13 H new ATOM 2030 N ILE A 140 1.986 -5.260 -2.378 1.00 42.33 N ATOM 2031 CA ILE A 140 3.245 -5.576 -3.000 1.00 52.11 C ATOM 2032 C ILE A 140 3.771 -6.867 -2.424 1.00 62.12 C ATOM 2033 O ILE A 140 4.308 -6.920 -1.319 1.00 34.11 O ATOM 2034 CB ILE A 140 4.277 -4.399 -2.923 1.00 45.23 C ATOM 2035 CG1 ILE A 140 4.342 -3.815 -1.505 1.00 61.20 C ATOM 2036 CG2 ILE A 140 3.946 -3.316 -3.953 1.00 62.42 C ATOM 2037 CD1 ILE A 140 5.235 -2.601 -1.356 1.00 63.23 C ATOM 0 H ILE A 140 1.990 -5.325 -1.360 1.00 42.33 H new ATOM 0 HA ILE A 140 3.081 -5.718 -4.068 1.00 52.11 H new ATOM 0 HB ILE A 140 5.263 -4.798 -3.162 1.00 45.23 H new ATOM 0 HG12 ILE A 140 3.333 -3.547 -1.192 1.00 61.20 H new ATOM 0 HG13 ILE A 140 4.691 -4.591 -0.824 1.00 61.20 H new ATOM 0 HG21 ILE A 140 4.676 -2.510 -3.881 1.00 62.42 H new ATOM 0 HG22 ILE A 140 3.977 -3.745 -4.955 1.00 62.42 H new ATOM 0 HG23 ILE A 140 2.949 -2.921 -3.758 1.00 62.42 H new ATOM 0 HD11 ILE A 140 5.216 -2.261 -0.321 1.00 63.23 H new ATOM 0 HD12 ILE A 140 6.256 -2.864 -1.633 1.00 63.23 H new ATOM 0 HD13 ILE A 140 4.876 -1.803 -2.007 1.00 63.23 H new ATOM 2049 N MET A 141 3.550 -7.920 -3.159 1.00 23.31 N ATOM 2050 CA MET A 141 3.856 -9.248 -2.698 1.00 1.33 C ATOM 2051 C MET A 141 5.293 -9.591 -2.972 1.00 72.23 C ATOM 2052 O MET A 141 5.797 -9.364 -4.078 1.00 45.24 O ATOM 2053 CB MET A 141 2.907 -10.269 -3.334 1.00 5.33 C ATOM 2054 CG MET A 141 1.436 -10.036 -2.986 1.00 13.14 C ATOM 2055 SD MET A 141 0.297 -11.152 -3.841 1.00 73.42 S ATOM 2056 CE MET A 141 0.630 -10.749 -5.557 1.00 12.33 C ATOM 0 H MET A 141 3.152 -7.883 -4.097 1.00 23.31 H new ATOM 0 HA MET A 141 3.710 -9.281 -1.618 1.00 1.33 H new ATOM 0 HB2 MET A 141 3.025 -10.237 -4.417 1.00 5.33 H new ATOM 0 HB3 MET A 141 3.194 -11.270 -3.011 1.00 5.33 H new ATOM 0 HG2 MET A 141 1.304 -10.152 -1.910 1.00 13.14 H new ATOM 0 HG3 MET A 141 1.173 -9.007 -3.230 1.00 13.14 H new ATOM 0 HE1 MET A 141 -0.304 -10.750 -6.119 1.00 12.33 H new ATOM 0 HE2 MET A 141 1.088 -9.762 -5.617 1.00 12.33 H new ATOM 0 HE3 MET A 141 1.309 -11.490 -5.980 1.00 12.33 H new ATOM 2066 N SER A 142 5.927 -10.137 -1.966 1.00 0.14 N ATOM 2067 CA SER A 142 7.325 -10.538 -1.954 1.00 74.44 C ATOM 2068 C SER A 142 8.290 -9.367 -2.147 1.00 13.41 C ATOM 2069 O SER A 142 8.870 -9.157 -3.220 1.00 2.31 O ATOM 2070 CB SER A 142 7.640 -11.778 -2.855 1.00 42.01 C ATOM 2071 OG SER A 142 7.212 -11.601 -4.203 1.00 13.40 O ATOM 0 H SER A 142 5.461 -10.328 -1.079 1.00 0.14 H new ATOM 0 HA SER A 142 7.509 -10.893 -0.940 1.00 74.44 H new ATOM 0 HB2 SER A 142 8.713 -11.969 -2.841 1.00 42.01 H new ATOM 0 HB3 SER A 142 7.154 -12.659 -2.436 1.00 42.01 H new ATOM 0 HG SER A 142 7.018 -10.654 -4.363 1.00 13.40 H new ATOM 2077 N LYS A 143 8.398 -8.586 -1.118 1.00 2.03 N ATOM 2078 CA LYS A 143 9.282 -7.472 -1.069 1.00 73.11 C ATOM 2079 C LYS A 143 10.332 -7.755 -0.035 1.00 1.23 C ATOM 2080 O LYS A 143 10.025 -8.207 1.076 1.00 21.11 O ATOM 2081 CB LYS A 143 8.504 -6.193 -0.789 1.00 3.10 C ATOM 2082 CG LYS A 143 9.344 -4.942 -0.601 1.00 5.12 C ATOM 2083 CD LYS A 143 8.470 -3.719 -0.750 1.00 13.13 C ATOM 2084 CE LYS A 143 9.178 -2.440 -0.360 1.00 33.12 C ATOM 2085 NZ LYS A 143 9.373 -2.358 1.097 1.00 3.53 N ATOM 0 H LYS A 143 7.855 -8.713 -0.264 1.00 2.03 H new ATOM 0 HA LYS A 143 9.777 -7.321 -2.028 1.00 73.11 H new ATOM 0 HB2 LYS A 143 7.811 -6.023 -1.613 1.00 3.10 H new ATOM 0 HB3 LYS A 143 7.903 -6.344 0.108 1.00 3.10 H new ATOM 0 HG2 LYS A 143 9.811 -4.950 0.384 1.00 5.12 H new ATOM 0 HG3 LYS A 143 10.149 -4.918 -1.336 1.00 5.12 H new ATOM 0 HD2 LYS A 143 8.134 -3.642 -1.784 1.00 13.13 H new ATOM 0 HD3 LYS A 143 7.579 -3.838 -0.134 1.00 13.13 H new ATOM 0 HE2 LYS A 143 10.144 -2.390 -0.862 1.00 33.12 H new ATOM 0 HE3 LYS A 143 8.597 -1.582 -0.700 1.00 33.12 H new ATOM 0 HZ1 LYS A 143 10.095 -1.640 1.311 1.00 3.53 H new ATOM 0 HZ2 LYS A 143 8.476 -2.094 1.553 1.00 3.53 H new ATOM 0 HZ3 LYS A 143 9.686 -3.282 1.458 1.00 3.53 H new