USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 819 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 95 LYS NZ :NH3+ 173:sc= 0.163 (180deg=0.0658) USER MOD Set 1.2: A 96 TYR OH : rot 160:sc= 0.885 USER MOD Set 2.1: A 23 TYR OH : rot 84:sc= 0.619 USER MOD Set 2.2: A 65 SER OG : rot 146:sc= 0.751 USER MOD Single : A 3 GLN : amide:sc= -0.362 X(o=-0.36,f=-0.097) USER MOD Single : A 7 GLN : amide:sc= -0.299 X(o=-0.3,f=-0.14) USER MOD Single : A 13 HIS : no HD1:sc= -2.55 K(o=-2.5,f=-2!) USER MOD Single : A 14 GLN : amide:sc= -0.55 X(o=-0.55,f=-0.6) USER MOD Single : A 17 LYS NZ :NH3+ -167:sc=-0.00544 (180deg=-0.155) USER MOD Single : A 19 LYS NZ :NH3+ -167:sc= -0.0192 (180deg=-0.188) USER MOD Single : A 21 SER OG : rot 80:sc= -0.128 USER MOD Single : A 22 THR OG1 : rot -100:sc= -0.67 USER MOD Single : A 28 LYS NZ :NH3+ -167:sc= -0.0319 (180deg=-0.233) USER MOD Single : A 29 MET CE :methyl 156:sc= 0 (180deg=-0.74) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -1.05 K(o=-1,f=-0.052) USER MOD Single : A 41 LYS NZ :NH3+ -131:sc= -1.15 (180deg=-3.67!) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 50 SER OG : rot -160:sc= 0.138 USER MOD Single : A 51 LYS NZ :NH3+ -169:sc= -0.0204 (180deg=-0.146) USER MOD Single : A 59 ASN : amide:sc= -0.948 K(o=-0.95,f=-9.5!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.0188 X(o=-0.019,f=-0.27) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -169:sc=-0.00436 (180deg=-0.124) USER MOD Single : A 74 GLN : amide:sc= -2.62 K(o=-2.6,f=-3.3!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -163:sc= 0.901 (180deg=0.371) USER MOD Single : A 97 LYS NZ :NH3+ -111:sc= 0.225 (180deg=-0.227) USER MOD Single : A 99 GLN : amide:sc= -0.0566 X(o=-0.057,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 20 N ASP A 2 -15.714 -4.064 10.968 1.00 62.31 N ATOM 21 CA ASP A 2 -16.223 -4.768 9.780 1.00 70.33 C ATOM 22 C ASP A 2 -15.273 -5.896 9.322 1.00 33.22 C ATOM 23 O ASP A 2 -14.062 -5.695 9.212 1.00 1.33 O ATOM 24 CB ASP A 2 -16.430 -3.757 8.645 1.00 21.53 C ATOM 25 CG ASP A 2 -17.233 -4.323 7.489 1.00 72.32 C ATOM 26 OD1 ASP A 2 -16.674 -5.093 6.685 1.00 11.14 O ATOM 27 OD2 ASP A 2 -18.431 -3.996 7.371 1.00 13.21 O ATOM 0 HA ASP A 2 -17.172 -5.235 10.043 1.00 70.33 H new ATOM 0 HB2 ASP A 2 -16.939 -2.877 9.038 1.00 21.53 H new ATOM 0 HB3 ASP A 2 -15.458 -3.426 8.278 1.00 21.53 H new ATOM 32 N GLN A 3 -15.841 -7.074 9.038 1.00 63.51 N ATOM 33 CA GLN A 3 -15.057 -8.247 8.610 1.00 2.24 C ATOM 34 C GLN A 3 -14.211 -7.968 7.356 1.00 42.32 C ATOM 35 O GLN A 3 -13.063 -8.406 7.271 1.00 20.34 O ATOM 36 CB GLN A 3 -15.984 -9.451 8.364 1.00 0.21 C ATOM 37 CG GLN A 3 -16.517 -10.095 9.641 1.00 51.13 C ATOM 38 CD GLN A 3 -15.424 -10.768 10.461 1.00 43.25 C ATOM 39 OE1 GLN A 3 -15.122 -11.941 10.268 1.00 43.34 O ATOM 40 NE2 GLN A 3 -14.821 -10.035 11.379 1.00 21.40 N ATOM 0 H GLN A 3 -16.845 -7.244 9.096 1.00 63.51 H new ATOM 0 HA GLN A 3 -14.366 -8.478 9.421 1.00 2.24 H new ATOM 0 HB2 GLN A 3 -16.827 -9.129 7.753 1.00 0.21 H new ATOM 0 HB3 GLN A 3 -15.442 -10.202 7.789 1.00 0.21 H new ATOM 0 HG2 GLN A 3 -17.006 -9.334 10.250 1.00 51.13 H new ATOM 0 HG3 GLN A 3 -17.277 -10.832 9.381 1.00 51.13 H new ATOM 0 HE21 GLN A 3 -15.095 -9.062 11.516 1.00 21.40 H new ATOM 0 HE22 GLN A 3 -14.081 -10.442 11.952 1.00 21.40 H new ATOM 49 N PHE A 4 -14.772 -7.233 6.393 1.00 21.54 N ATOM 50 CA PHE A 4 -14.037 -6.870 5.174 1.00 52.05 C ATOM 51 C PHE A 4 -12.762 -6.097 5.527 1.00 4.24 C ATOM 52 O PHE A 4 -11.672 -6.404 5.036 1.00 30.13 O ATOM 53 CB PHE A 4 -14.929 -6.036 4.239 1.00 72.20 C ATOM 54 CG PHE A 4 -14.189 -5.386 3.091 1.00 71.54 C ATOM 55 CD1 PHE A 4 -13.753 -6.139 2.010 1.00 43.14 C ATOM 56 CD2 PHE A 4 -13.927 -4.022 3.101 1.00 42.41 C ATOM 57 CE1 PHE A 4 -13.071 -5.544 0.963 1.00 1.22 C ATOM 58 CE2 PHE A 4 -13.248 -3.424 2.056 1.00 71.30 C ATOM 59 CZ PHE A 4 -12.820 -4.185 0.986 1.00 72.13 C ATOM 0 H PHE A 4 -15.727 -6.878 6.431 1.00 21.54 H new ATOM 0 HA PHE A 4 -13.753 -7.786 4.656 1.00 52.05 H new ATOM 0 HB2 PHE A 4 -15.712 -6.678 3.835 1.00 72.20 H new ATOM 0 HB3 PHE A 4 -15.423 -5.260 4.824 1.00 72.20 H new ATOM 0 HD1 PHE A 4 -13.948 -7.201 1.985 1.00 43.14 H new ATOM 0 HD2 PHE A 4 -14.258 -3.421 3.935 1.00 42.41 H new ATOM 0 HE1 PHE A 4 -12.735 -6.141 0.128 1.00 1.22 H new ATOM 0 HE2 PHE A 4 -13.052 -2.362 2.076 1.00 71.30 H new ATOM 0 HZ PHE A 4 -12.290 -3.719 0.168 1.00 72.13 H new ATOM 69 N LEU A 5 -12.912 -5.103 6.398 1.00 1.12 N ATOM 70 CA LEU A 5 -11.779 -4.308 6.874 1.00 40.32 C ATOM 71 C LEU A 5 -10.760 -5.194 7.605 1.00 43.00 C ATOM 72 O LEU A 5 -9.561 -5.119 7.346 1.00 50.02 O ATOM 73 CB LEU A 5 -12.271 -3.193 7.804 1.00 22.41 C ATOM 74 CG LEU A 5 -13.288 -2.220 7.183 1.00 24.22 C ATOM 75 CD1 LEU A 5 -13.732 -1.180 8.207 1.00 34.34 C ATOM 76 CD2 LEU A 5 -12.704 -1.547 5.944 1.00 23.32 C ATOM 0 H LEU A 5 -13.811 -4.826 6.792 1.00 1.12 H new ATOM 0 HA LEU A 5 -11.287 -3.860 6.010 1.00 40.32 H new ATOM 0 HB2 LEU A 5 -12.721 -3.650 8.685 1.00 22.41 H new ATOM 0 HB3 LEU A 5 -11.409 -2.621 8.147 1.00 22.41 H new ATOM 0 HG LEU A 5 -14.165 -2.791 6.877 1.00 24.22 H new ATOM 0 HD11 LEU A 5 -14.451 -0.501 7.748 1.00 34.34 H new ATOM 0 HD12 LEU A 5 -14.197 -1.681 9.056 1.00 34.34 H new ATOM 0 HD13 LEU A 5 -12.866 -0.614 8.549 1.00 34.34 H new ATOM 0 HD21 LEU A 5 -13.440 -0.863 5.521 1.00 23.32 H new ATOM 0 HD22 LEU A 5 -11.808 -0.991 6.220 1.00 23.32 H new ATOM 0 HD23 LEU A 5 -12.446 -2.306 5.205 1.00 23.32 H new ATOM 88 N VAL A 6 -11.257 -6.041 8.506 1.00 51.44 N ATOM 89 CA VAL A 6 -10.404 -6.970 9.256 1.00 14.14 C ATOM 90 C VAL A 6 -9.539 -7.826 8.320 1.00 42.34 C ATOM 91 O VAL A 6 -8.327 -7.923 8.497 1.00 21.11 O ATOM 92 CB VAL A 6 -11.244 -7.919 10.152 1.00 12.44 C ATOM 93 CG1 VAL A 6 -10.349 -8.932 10.868 1.00 74.24 C ATOM 94 CG2 VAL A 6 -12.071 -7.127 11.160 1.00 70.44 C ATOM 0 H VAL A 6 -12.249 -6.105 8.737 1.00 51.44 H new ATOM 0 HA VAL A 6 -9.760 -6.353 9.882 1.00 14.14 H new ATOM 0 HB VAL A 6 -11.929 -8.468 9.506 1.00 12.44 H new ATOM 0 HG11 VAL A 6 -10.963 -9.585 11.489 1.00 74.24 H new ATOM 0 HG12 VAL A 6 -9.814 -9.530 10.130 1.00 74.24 H new ATOM 0 HG13 VAL A 6 -9.631 -8.404 11.496 1.00 74.24 H new ATOM 0 HG21 VAL A 6 -12.651 -7.815 11.776 1.00 70.44 H new ATOM 0 HG22 VAL A 6 -11.407 -6.542 11.796 1.00 70.44 H new ATOM 0 HG23 VAL A 6 -12.748 -6.457 10.629 1.00 70.44 H new ATOM 104 N GLN A 7 -10.169 -8.439 7.320 1.00 33.24 N ATOM 105 CA GLN A 7 -9.471 -9.353 6.409 1.00 42.14 C ATOM 106 C GLN A 7 -8.398 -8.638 5.571 1.00 73.02 C ATOM 107 O GLN A 7 -7.253 -9.093 5.506 1.00 52.34 O ATOM 108 CB GLN A 7 -10.480 -10.063 5.493 1.00 53.53 C ATOM 109 CG GLN A 7 -11.481 -10.943 6.242 1.00 22.22 C ATOM 110 CD GLN A 7 -10.809 -12.027 7.071 1.00 20.10 C ATOM 111 OE1 GLN A 7 -10.573 -13.136 6.597 1.00 50.33 O ATOM 112 NE2 GLN A 7 -10.497 -11.721 8.318 1.00 11.44 N ATOM 0 H GLN A 7 -11.162 -8.321 7.117 1.00 33.24 H new ATOM 0 HA GLN A 7 -8.957 -10.092 7.024 1.00 42.14 H new ATOM 0 HB2 GLN A 7 -11.027 -9.314 4.920 1.00 53.53 H new ATOM 0 HB3 GLN A 7 -9.936 -10.678 4.776 1.00 53.53 H new ATOM 0 HG2 GLN A 7 -12.090 -10.318 6.895 1.00 22.22 H new ATOM 0 HG3 GLN A 7 -12.157 -11.408 5.524 1.00 22.22 H new ATOM 0 HE21 GLN A 7 -10.706 -10.792 8.683 1.00 11.44 H new ATOM 0 HE22 GLN A 7 -10.047 -12.414 8.916 1.00 11.44 H new ATOM 121 N ILE A 8 -8.761 -7.524 4.929 1.00 32.01 N ATOM 122 CA ILE A 8 -7.804 -6.786 4.092 1.00 20.23 C ATOM 123 C ILE A 8 -6.653 -6.202 4.930 1.00 25.31 C ATOM 124 O ILE A 8 -5.485 -6.310 4.554 1.00 1.42 O ATOM 125 CB ILE A 8 -8.489 -5.656 3.272 1.00 12.40 C ATOM 126 CG1 ILE A 8 -9.147 -4.614 4.195 1.00 45.20 C ATOM 127 CG2 ILE A 8 -9.517 -6.250 2.306 1.00 63.21 C ATOM 128 CD1 ILE A 8 -9.764 -3.443 3.458 1.00 62.35 C ATOM 0 H ILE A 8 -9.695 -7.116 4.969 1.00 32.01 H new ATOM 0 HA ILE A 8 -7.392 -7.510 3.389 1.00 20.23 H new ATOM 0 HB ILE A 8 -7.720 -5.145 2.693 1.00 12.40 H new ATOM 0 HG12 ILE A 8 -9.919 -5.105 4.788 1.00 45.20 H new ATOM 0 HG13 ILE A 8 -8.399 -4.238 4.893 1.00 45.20 H new ATOM 0 HG21 ILE A 8 -9.989 -5.448 1.738 1.00 63.21 H new ATOM 0 HG22 ILE A 8 -9.018 -6.935 1.620 1.00 63.21 H new ATOM 0 HG23 ILE A 8 -10.277 -6.791 2.870 1.00 63.21 H new ATOM 0 HD11 ILE A 8 -10.207 -2.753 4.177 1.00 62.35 H new ATOM 0 HD12 ILE A 8 -8.993 -2.926 2.886 1.00 62.35 H new ATOM 0 HD13 ILE A 8 -10.536 -3.806 2.780 1.00 62.35 H new ATOM 140 N PHE A 9 -6.981 -5.611 6.078 1.00 54.43 N ATOM 141 CA PHE A 9 -5.965 -5.047 6.974 1.00 31.12 C ATOM 142 C PHE A 9 -5.057 -6.148 7.545 1.00 45.25 C ATOM 143 O PHE A 9 -3.837 -5.987 7.615 1.00 4.14 O ATOM 144 CB PHE A 9 -6.631 -4.267 8.120 1.00 74.04 C ATOM 145 CG PHE A 9 -7.397 -3.034 7.684 1.00 1.44 C ATOM 146 CD1 PHE A 9 -7.185 -2.457 6.437 1.00 24.21 C ATOM 147 CD2 PHE A 9 -8.324 -2.445 8.534 1.00 62.32 C ATOM 148 CE1 PHE A 9 -7.879 -1.325 6.051 1.00 42.20 C ATOM 149 CE2 PHE A 9 -9.022 -1.314 8.150 1.00 63.40 C ATOM 150 CZ PHE A 9 -8.798 -0.754 6.908 1.00 24.24 C ATOM 0 H PHE A 9 -7.939 -5.509 6.412 1.00 54.43 H new ATOM 0 HA PHE A 9 -5.349 -4.363 6.391 1.00 31.12 H new ATOM 0 HB2 PHE A 9 -7.313 -4.934 8.648 1.00 74.04 H new ATOM 0 HB3 PHE A 9 -5.862 -3.968 8.833 1.00 74.04 H new ATOM 0 HD1 PHE A 9 -6.468 -2.899 5.761 1.00 24.21 H new ATOM 0 HD2 PHE A 9 -8.502 -2.876 9.508 1.00 62.32 H new ATOM 0 HE1 PHE A 9 -7.702 -0.888 5.079 1.00 42.20 H new ATOM 0 HE2 PHE A 9 -9.742 -0.869 8.821 1.00 63.40 H new ATOM 0 HZ PHE A 9 -9.341 0.130 6.607 1.00 24.24 H new ATOM 160 N ALA A 10 -5.660 -7.269 7.941 1.00 12.45 N ATOM 161 CA ALA A 10 -4.913 -8.415 8.472 1.00 12.14 C ATOM 162 C ALA A 10 -3.822 -8.880 7.499 1.00 14.42 C ATOM 163 O ALA A 10 -2.713 -9.217 7.918 1.00 5.54 O ATOM 164 CB ALA A 10 -5.857 -9.568 8.793 1.00 63.34 C ATOM 0 H ALA A 10 -6.669 -7.410 7.905 1.00 12.45 H new ATOM 0 HA ALA A 10 -4.425 -8.089 9.391 1.00 12.14 H new ATOM 0 HB1 ALA A 10 -5.285 -10.408 9.185 1.00 63.34 H new ATOM 0 HB2 ALA A 10 -6.585 -9.246 9.537 1.00 63.34 H new ATOM 0 HB3 ALA A 10 -6.377 -9.876 7.886 1.00 63.34 H new ATOM 170 N VAL A 11 -4.139 -8.884 6.203 1.00 43.30 N ATOM 171 CA VAL A 11 -3.170 -9.272 5.169 1.00 0.14 C ATOM 172 C VAL A 11 -2.030 -8.249 5.061 1.00 12.41 C ATOM 173 O VAL A 11 -0.859 -8.616 4.929 1.00 63.42 O ATOM 174 CB VAL A 11 -3.851 -9.427 3.783 1.00 65.41 C ATOM 175 CG1 VAL A 11 -2.827 -9.775 2.702 1.00 64.32 C ATOM 176 CG2 VAL A 11 -4.953 -10.483 3.838 1.00 33.13 C ATOM 0 H VAL A 11 -5.057 -8.624 5.842 1.00 43.30 H new ATOM 0 HA VAL A 11 -2.757 -10.235 5.470 1.00 0.14 H new ATOM 0 HB VAL A 11 -4.303 -8.470 3.523 1.00 65.41 H new ATOM 0 HG11 VAL A 11 -3.332 -9.878 1.742 1.00 64.32 H new ATOM 0 HG12 VAL A 11 -2.082 -8.982 2.637 1.00 64.32 H new ATOM 0 HG13 VAL A 11 -2.335 -10.714 2.955 1.00 64.32 H new ATOM 0 HG21 VAL A 11 -5.417 -10.576 2.856 1.00 33.13 H new ATOM 0 HG22 VAL A 11 -4.524 -11.442 4.129 1.00 33.13 H new ATOM 0 HG23 VAL A 11 -5.705 -10.186 4.569 1.00 33.13 H new ATOM 186 N ILE A 12 -2.378 -6.965 5.128 1.00 73.42 N ATOM 187 CA ILE A 12 -1.394 -5.880 5.034 1.00 55.24 C ATOM 188 C ILE A 12 -0.327 -5.975 6.146 1.00 5.32 C ATOM 189 O ILE A 12 0.833 -5.616 5.939 1.00 25.11 O ATOM 190 CB ILE A 12 -2.094 -4.498 5.097 1.00 71.13 C ATOM 191 CG1 ILE A 12 -3.122 -4.371 3.959 1.00 53.25 C ATOM 192 CG2 ILE A 12 -1.075 -3.357 5.039 1.00 13.01 C ATOM 193 CD1 ILE A 12 -3.989 -3.134 4.051 1.00 21.32 C ATOM 0 H ILE A 12 -3.339 -6.646 5.248 1.00 73.42 H new ATOM 0 HA ILE A 12 -0.892 -5.986 4.072 1.00 55.24 H new ATOM 0 HB ILE A 12 -2.617 -4.424 6.050 1.00 71.13 H new ATOM 0 HG12 ILE A 12 -2.594 -4.363 3.005 1.00 53.25 H new ATOM 0 HG13 ILE A 12 -3.763 -5.253 3.961 1.00 53.25 H new ATOM 0 HG21 ILE A 12 -1.596 -2.401 5.085 1.00 13.01 H new ATOM 0 HG22 ILE A 12 -0.390 -3.438 5.883 1.00 13.01 H new ATOM 0 HG23 ILE A 12 -0.512 -3.419 4.108 1.00 13.01 H new ATOM 0 HD11 ILE A 12 -4.687 -3.116 3.214 1.00 21.32 H new ATOM 0 HD12 ILE A 12 -4.546 -3.149 4.988 1.00 21.32 H new ATOM 0 HD13 ILE A 12 -3.359 -2.245 4.017 1.00 21.32 H new ATOM 205 N HIS A 13 -0.717 -6.478 7.321 1.00 72.25 N ATOM 206 CA HIS A 13 0.235 -6.675 8.430 1.00 0.22 C ATOM 207 C HIS A 13 1.362 -7.660 8.060 1.00 5.11 C ATOM 208 O HIS A 13 2.411 -7.685 8.705 1.00 75.22 O ATOM 209 CB HIS A 13 -0.488 -7.159 9.699 1.00 43.25 C ATOM 210 CG HIS A 13 -1.363 -6.119 10.345 1.00 11.13 C ATOM 211 ND1 HIS A 13 -0.823 -5.033 10.993 1.00 74.52 N ATOM 212 CD2 HIS A 13 -2.714 -6.052 10.430 1.00 54.43 C ATOM 213 CE1 HIS A 13 -1.847 -4.336 11.449 1.00 33.14 C ATOM 214 NE2 HIS A 13 -3.012 -4.913 11.137 1.00 0.44 N ATOM 0 H HIS A 13 -1.675 -6.756 7.533 1.00 72.25 H new ATOM 0 HA HIS A 13 0.690 -5.705 8.628 1.00 0.22 H new ATOM 0 HB2 HIS A 13 -1.099 -8.026 9.447 1.00 43.25 H new ATOM 0 HB3 HIS A 13 0.256 -7.492 10.423 1.00 43.25 H new ATOM 0 HD2 HIS A 13 -3.421 -6.759 10.020 1.00 54.43 H new ATOM 0 HE1 HIS A 13 -1.755 -3.415 12.005 1.00 33.14 H new ATOM 0 HE2 HIS A 13 -3.943 -4.573 11.378 1.00 0.44 H new ATOM 222 N GLN A 14 1.149 -8.466 7.018 1.00 54.34 N ATOM 223 CA GLN A 14 2.168 -9.422 6.554 1.00 54.42 C ATOM 224 C GLN A 14 3.205 -8.772 5.621 1.00 13.44 C ATOM 225 O GLN A 14 4.217 -9.392 5.288 1.00 44.33 O ATOM 226 CB GLN A 14 1.509 -10.619 5.848 1.00 73.31 C ATOM 227 CG GLN A 14 0.964 -11.688 6.793 1.00 24.25 C ATOM 228 CD GLN A 14 -0.160 -11.192 7.685 1.00 22.40 C ATOM 229 OE1 GLN A 14 0.071 -10.666 8.770 1.00 42.00 O ATOM 230 NE2 GLN A 14 -1.386 -11.384 7.249 1.00 41.42 N ATOM 0 H GLN A 14 0.284 -8.479 6.478 1.00 54.34 H new ATOM 0 HA GLN A 14 2.697 -9.769 7.442 1.00 54.42 H new ATOM 0 HB2 GLN A 14 0.693 -10.253 5.224 1.00 73.31 H new ATOM 0 HB3 GLN A 14 2.239 -11.079 5.181 1.00 73.31 H new ATOM 0 HG2 GLN A 14 0.605 -12.532 6.205 1.00 24.25 H new ATOM 0 HG3 GLN A 14 1.777 -12.058 7.418 1.00 24.25 H new ATOM 0 HE21 GLN A 14 -1.542 -11.824 6.342 1.00 41.42 H new ATOM 0 HE22 GLN A 14 -2.181 -11.093 7.818 1.00 41.42 H new ATOM 239 N ILE A 15 2.964 -7.530 5.204 1.00 5.23 N ATOM 240 CA ILE A 15 3.896 -6.823 4.316 1.00 13.34 C ATOM 241 C ILE A 15 5.152 -6.363 5.084 1.00 54.44 C ATOM 242 O ILE A 15 5.061 -5.552 6.009 1.00 1.20 O ATOM 243 CB ILE A 15 3.230 -5.593 3.646 1.00 41.33 C ATOM 244 CG1 ILE A 15 1.927 -6.002 2.941 1.00 14.33 C ATOM 245 CG2 ILE A 15 4.193 -4.938 2.654 1.00 13.52 C ATOM 246 CD1 ILE A 15 1.170 -4.839 2.327 1.00 22.12 C ATOM 0 H ILE A 15 2.137 -6.992 5.463 1.00 5.23 H new ATOM 0 HA ILE A 15 4.185 -7.530 3.539 1.00 13.34 H new ATOM 0 HB ILE A 15 2.987 -4.867 4.422 1.00 41.33 H new ATOM 0 HG12 ILE A 15 2.160 -6.725 2.159 1.00 14.33 H new ATOM 0 HG13 ILE A 15 1.280 -6.506 3.659 1.00 14.33 H new ATOM 0 HG21 ILE A 15 3.710 -4.077 2.193 1.00 13.52 H new ATOM 0 HG22 ILE A 15 5.091 -4.612 3.179 1.00 13.52 H new ATOM 0 HG23 ILE A 15 4.465 -5.658 1.882 1.00 13.52 H new ATOM 0 HD11 ILE A 15 0.263 -5.208 1.848 1.00 22.12 H new ATOM 0 HD12 ILE A 15 0.905 -4.125 3.107 1.00 22.12 H new ATOM 0 HD13 ILE A 15 1.798 -4.348 1.584 1.00 22.12 H new ATOM 258 N PRO A 16 6.341 -6.892 4.720 1.00 53.53 N ATOM 259 CA PRO A 16 7.614 -6.551 5.387 1.00 23.14 C ATOM 260 C PRO A 16 8.018 -5.076 5.221 1.00 21.23 C ATOM 261 O PRO A 16 7.599 -4.402 4.276 1.00 42.11 O ATOM 262 CB PRO A 16 8.641 -7.469 4.696 1.00 51.12 C ATOM 263 CG PRO A 16 7.834 -8.533 4.035 1.00 60.35 C ATOM 264 CD PRO A 16 6.541 -7.876 3.647 1.00 65.22 C ATOM 0 HA PRO A 16 7.542 -6.693 6.465 1.00 23.14 H new ATOM 0 HB2 PRO A 16 9.235 -6.917 3.968 1.00 51.12 H new ATOM 0 HB3 PRO A 16 9.337 -7.895 5.419 1.00 51.12 H new ATOM 0 HG2 PRO A 16 8.350 -8.930 3.161 1.00 60.35 H new ATOM 0 HG3 PRO A 16 7.661 -9.371 4.711 1.00 60.35 H new ATOM 0 HD2 PRO A 16 6.607 -7.400 2.669 1.00 65.22 H new ATOM 0 HD3 PRO A 16 5.722 -8.593 3.598 1.00 65.22 H new ATOM 272 N LYS A 17 8.857 -4.589 6.135 1.00 74.30 N ATOM 273 CA LYS A 17 9.306 -3.193 6.113 1.00 35.33 C ATOM 274 C LYS A 17 10.164 -2.896 4.870 1.00 42.12 C ATOM 275 O LYS A 17 11.214 -3.512 4.660 1.00 35.34 O ATOM 276 CB LYS A 17 10.084 -2.869 7.396 1.00 32.14 C ATOM 277 CG LYS A 17 10.668 -1.461 7.426 1.00 31.13 C ATOM 278 CD LYS A 17 11.251 -1.115 8.792 1.00 43.02 C ATOM 279 CE LYS A 17 11.963 0.235 8.777 1.00 2.22 C ATOM 280 NZ LYS A 17 13.195 0.203 7.939 1.00 50.31 N ATOM 0 H LYS A 17 9.241 -5.140 6.902 1.00 74.30 H new ATOM 0 HA LYS A 17 8.423 -2.555 6.063 1.00 35.33 H new ATOM 0 HB2 LYS A 17 9.422 -2.995 8.252 1.00 32.14 H new ATOM 0 HB3 LYS A 17 10.894 -3.590 7.510 1.00 32.14 H new ATOM 0 HG2 LYS A 17 11.446 -1.375 6.667 1.00 31.13 H new ATOM 0 HG3 LYS A 17 9.891 -0.740 7.170 1.00 31.13 H new ATOM 0 HD2 LYS A 17 10.453 -1.097 9.534 1.00 43.02 H new ATOM 0 HD3 LYS A 17 11.952 -1.893 9.096 1.00 43.02 H new ATOM 0 HE2 LYS A 17 11.285 0.999 8.397 1.00 2.22 H new ATOM 0 HE3 LYS A 17 12.224 0.519 9.796 1.00 2.22 H new ATOM 0 HZ1 LYS A 17 13.764 1.054 8.125 1.00 50.31 H new ATOM 0 HZ2 LYS A 17 13.752 -0.644 8.173 1.00 50.31 H new ATOM 0 HZ3 LYS A 17 12.930 0.177 6.934 1.00 50.31 H new ATOM 294 N GLY A 18 9.720 -1.942 4.056 1.00 34.31 N ATOM 295 CA GLY A 18 10.413 -1.637 2.805 1.00 53.40 C ATOM 296 C GLY A 18 9.914 -2.465 1.623 1.00 73.10 C ATOM 297 O GLY A 18 10.597 -2.577 0.604 1.00 25.22 O ATOM 0 H GLY A 18 8.893 -1.372 4.236 1.00 34.31 H new ATOM 0 HA2 GLY A 18 10.288 -0.578 2.577 1.00 53.40 H new ATOM 0 HA3 GLY A 18 11.481 -1.811 2.937 1.00 53.40 H new ATOM 301 N LYS A 19 8.734 -3.068 1.767 1.00 42.33 N ATOM 302 CA LYS A 19 8.099 -3.816 0.677 1.00 22.22 C ATOM 303 C LYS A 19 6.720 -3.236 0.335 1.00 21.03 C ATOM 304 O LYS A 19 6.033 -2.692 1.199 1.00 42.12 O ATOM 305 CB LYS A 19 7.973 -5.297 1.055 1.00 21.23 C ATOM 306 CG LYS A 19 9.316 -5.987 1.262 1.00 0.20 C ATOM 307 CD LYS A 19 10.154 -5.969 -0.012 1.00 0.54 C ATOM 308 CE LYS A 19 11.539 -6.563 0.208 1.00 35.23 C ATOM 309 NZ LYS A 19 12.352 -5.745 1.146 1.00 4.42 N ATOM 0 H LYS A 19 8.194 -3.054 2.632 1.00 42.33 H new ATOM 0 HA LYS A 19 8.730 -3.726 -0.207 1.00 22.22 H new ATOM 0 HB2 LYS A 19 7.385 -5.382 1.969 1.00 21.23 H new ATOM 0 HB3 LYS A 19 7.422 -5.818 0.272 1.00 21.23 H new ATOM 0 HG2 LYS A 19 9.861 -5.491 2.065 1.00 0.20 H new ATOM 0 HG3 LYS A 19 9.152 -7.018 1.577 1.00 0.20 H new ATOM 0 HD2 LYS A 19 9.639 -6.529 -0.793 1.00 0.54 H new ATOM 0 HD3 LYS A 19 10.252 -4.943 -0.367 1.00 0.54 H new ATOM 0 HE2 LYS A 19 11.441 -7.575 0.600 1.00 35.23 H new ATOM 0 HE3 LYS A 19 12.057 -6.640 -0.748 1.00 35.23 H new ATOM 0 HZ1 LYS A 19 13.345 -6.050 1.101 1.00 4.42 H new ATOM 0 HZ2 LYS A 19 12.285 -4.742 0.879 1.00 4.42 H new ATOM 0 HZ3 LYS A 19 11.995 -5.870 2.115 1.00 4.42 H new ATOM 323 N VAL A 20 6.321 -3.362 -0.930 1.00 71.12 N ATOM 324 CA VAL A 20 5.042 -2.825 -1.404 1.00 13.14 C ATOM 325 C VAL A 20 4.214 -3.890 -2.142 1.00 52.15 C ATOM 326 O VAL A 20 4.752 -4.767 -2.827 1.00 31.31 O ATOM 327 CB VAL A 20 5.248 -1.604 -2.344 1.00 61.02 C ATOM 328 CG1 VAL A 20 5.924 -0.453 -1.597 1.00 73.21 C ATOM 329 CG2 VAL A 20 6.058 -1.996 -3.583 1.00 63.21 C ATOM 0 H VAL A 20 6.868 -3.834 -1.650 1.00 71.12 H new ATOM 0 HA VAL A 20 4.497 -2.506 -0.515 1.00 13.14 H new ATOM 0 HB VAL A 20 4.267 -1.266 -2.676 1.00 61.02 H new ATOM 0 HG11 VAL A 20 6.058 0.391 -2.274 1.00 73.21 H new ATOM 0 HG12 VAL A 20 5.300 -0.148 -0.757 1.00 73.21 H new ATOM 0 HG13 VAL A 20 6.896 -0.780 -1.228 1.00 73.21 H new ATOM 0 HG21 VAL A 20 6.188 -1.124 -4.224 1.00 63.21 H new ATOM 0 HG22 VAL A 20 7.035 -2.369 -3.276 1.00 63.21 H new ATOM 0 HG23 VAL A 20 5.529 -2.774 -4.132 1.00 63.21 H new ATOM 339 N SER A 21 2.899 -3.810 -1.988 1.00 44.04 N ATOM 340 CA SER A 21 1.968 -4.694 -2.700 1.00 71.13 C ATOM 341 C SER A 21 0.877 -3.876 -3.398 1.00 72.25 C ATOM 342 O SER A 21 0.843 -2.652 -3.290 1.00 73.31 O ATOM 343 CB SER A 21 1.324 -5.696 -1.733 1.00 72.45 C ATOM 344 OG SER A 21 0.535 -5.035 -0.760 1.00 72.13 O ATOM 0 H SER A 21 2.444 -3.137 -1.371 1.00 44.04 H new ATOM 0 HA SER A 21 2.535 -5.244 -3.451 1.00 71.13 H new ATOM 0 HB2 SER A 21 0.705 -6.398 -2.292 1.00 72.45 H new ATOM 0 HB3 SER A 21 2.101 -6.280 -1.239 1.00 72.45 H new ATOM 0 HG SER A 21 -0.334 -4.801 -1.148 1.00 72.13 H new ATOM 350 N THR A 22 -0.010 -4.550 -4.119 1.00 21.21 N ATOM 351 CA THR A 22 -1.104 -3.870 -4.823 1.00 3.23 C ATOM 352 C THR A 22 -2.462 -4.205 -4.200 1.00 32.20 C ATOM 353 O THR A 22 -2.629 -5.257 -3.575 1.00 12.53 O ATOM 354 CB THR A 22 -1.136 -4.245 -6.326 1.00 62.01 C ATOM 355 OG1 THR A 22 -1.389 -5.648 -6.482 1.00 22.44 O ATOM 356 CG2 THR A 22 0.179 -3.890 -7.010 1.00 44.41 C ATOM 0 H THR A 22 0.001 -5.563 -4.235 1.00 21.21 H new ATOM 0 HA THR A 22 -0.916 -2.801 -4.726 1.00 3.23 H new ATOM 0 HB THR A 22 -1.938 -3.674 -6.794 1.00 62.01 H new ATOM 0 HG1 THR A 22 -0.545 -6.115 -6.657 1.00 22.44 H new ATOM 0 HG21 THR A 22 0.127 -4.165 -8.064 1.00 44.41 H new ATOM 0 HG22 THR A 22 0.357 -2.818 -6.923 1.00 44.41 H new ATOM 0 HG23 THR A 22 0.995 -4.433 -6.533 1.00 44.41 H new ATOM 364 N TYR A 23 -3.434 -3.306 -4.373 1.00 33.52 N ATOM 365 CA TYR A 23 -4.785 -3.509 -3.826 1.00 33.34 C ATOM 366 C TYR A 23 -5.383 -4.847 -4.288 1.00 22.34 C ATOM 367 O TYR A 23 -6.039 -5.546 -3.515 1.00 51.24 O ATOM 368 CB TYR A 23 -5.714 -2.365 -4.245 1.00 13.23 C ATOM 369 CG TYR A 23 -5.205 -0.989 -3.869 1.00 10.14 C ATOM 370 CD1 TYR A 23 -5.309 -0.516 -2.566 1.00 41.24 C ATOM 371 CD2 TYR A 23 -4.607 -0.171 -4.819 1.00 24.52 C ATOM 372 CE1 TYR A 23 -4.832 0.734 -2.223 1.00 3.34 C ATOM 373 CE2 TYR A 23 -4.127 1.075 -4.482 1.00 71.32 C ATOM 374 CZ TYR A 23 -4.240 1.524 -3.185 1.00 34.23 C ATOM 375 OH TYR A 23 -3.752 2.767 -2.850 1.00 12.45 O ATOM 0 H TYR A 23 -3.315 -2.432 -4.885 1.00 33.52 H new ATOM 0 HA TYR A 23 -4.696 -3.525 -2.740 1.00 33.34 H new ATOM 0 HB2 TYR A 23 -5.859 -2.405 -5.325 1.00 13.23 H new ATOM 0 HB3 TYR A 23 -6.691 -2.518 -3.786 1.00 13.23 H new ATOM 0 HD1 TYR A 23 -5.770 -1.135 -1.811 1.00 41.24 H new ATOM 0 HD2 TYR A 23 -4.517 -0.518 -5.838 1.00 24.52 H new ATOM 0 HE1 TYR A 23 -4.922 1.090 -1.207 1.00 3.34 H new ATOM 0 HE2 TYR A 23 -3.663 1.698 -5.232 1.00 71.32 H new ATOM 0 HH TYR A 23 -2.848 2.675 -2.482 1.00 12.45 H new ATOM 385 N GLY A 24 -5.152 -5.189 -5.557 1.00 23.44 N ATOM 386 CA GLY A 24 -5.622 -6.460 -6.096 1.00 42.43 C ATOM 387 C GLY A 24 -5.093 -7.668 -5.326 1.00 31.03 C ATOM 388 O GLY A 24 -5.851 -8.593 -5.015 1.00 72.10 O ATOM 0 H GLY A 24 -4.646 -4.606 -6.224 1.00 23.44 H new ATOM 0 HA2 GLY A 24 -6.712 -6.474 -6.079 1.00 42.43 H new ATOM 0 HA3 GLY A 24 -5.318 -6.540 -7.140 1.00 42.43 H new ATOM 392 N GLU A 25 -3.796 -7.654 -5.010 1.00 4.41 N ATOM 393 CA GLU A 25 -3.170 -8.735 -4.237 1.00 53.22 C ATOM 394 C GLU A 25 -3.772 -8.829 -2.825 1.00 70.33 C ATOM 395 O GLU A 25 -4.251 -9.887 -2.414 1.00 24.41 O ATOM 396 CB GLU A 25 -1.647 -8.520 -4.151 1.00 62.52 C ATOM 397 CG GLU A 25 -0.935 -8.597 -5.503 1.00 73.33 C ATOM 398 CD GLU A 25 0.545 -8.240 -5.422 1.00 3.31 C ATOM 399 OE1 GLU A 25 0.854 -7.065 -5.131 1.00 62.02 O ATOM 400 OE2 GLU A 25 1.401 -9.122 -5.660 1.00 11.33 O ATOM 0 H GLU A 25 -3.156 -6.906 -5.277 1.00 4.41 H new ATOM 0 HA GLU A 25 -3.367 -9.674 -4.754 1.00 53.22 H new ATOM 0 HB2 GLU A 25 -1.452 -7.546 -3.703 1.00 62.52 H new ATOM 0 HB3 GLU A 25 -1.221 -9.269 -3.483 1.00 62.52 H new ATOM 0 HG2 GLU A 25 -1.038 -9.605 -5.904 1.00 73.33 H new ATOM 0 HG3 GLU A 25 -1.427 -7.923 -6.205 1.00 73.33 H new ATOM 407 N ILE A 26 -3.766 -7.709 -2.098 1.00 72.50 N ATOM 408 CA ILE A 26 -4.313 -7.659 -0.734 1.00 40.44 C ATOM 409 C ILE A 26 -5.766 -8.165 -0.684 1.00 40.11 C ATOM 410 O ILE A 26 -6.098 -9.057 0.101 1.00 51.24 O ATOM 411 CB ILE A 26 -4.253 -6.219 -0.158 1.00 3.14 C ATOM 412 CG1 ILE A 26 -2.793 -5.738 -0.064 1.00 51.25 C ATOM 413 CG2 ILE A 26 -4.935 -6.145 1.211 1.00 23.35 C ATOM 414 CD1 ILE A 26 -1.919 -6.594 0.835 1.00 12.30 C ATOM 0 H ILE A 26 -3.388 -6.821 -2.429 1.00 72.50 H new ATOM 0 HA ILE A 26 -3.693 -8.316 -0.125 1.00 40.44 H new ATOM 0 HB ILE A 26 -4.793 -5.559 -0.837 1.00 3.14 H new ATOM 0 HG12 ILE A 26 -2.361 -5.721 -1.065 1.00 51.25 H new ATOM 0 HG13 ILE A 26 -2.782 -4.712 0.305 1.00 51.25 H new ATOM 0 HG21 ILE A 26 -4.878 -5.125 1.591 1.00 23.35 H new ATOM 0 HG22 ILE A 26 -5.980 -6.438 1.113 1.00 23.35 H new ATOM 0 HG23 ILE A 26 -4.433 -6.819 1.905 1.00 23.35 H new ATOM 0 HD11 ILE A 26 -0.906 -6.191 0.849 1.00 12.30 H new ATOM 0 HD12 ILE A 26 -2.325 -6.591 1.847 1.00 12.30 H new ATOM 0 HD13 ILE A 26 -1.898 -7.616 0.456 1.00 12.30 H new ATOM 426 N ALA A 27 -6.624 -7.592 -1.531 1.00 64.34 N ATOM 427 CA ALA A 27 -8.034 -7.992 -1.602 1.00 11.22 C ATOM 428 C ALA A 27 -8.184 -9.491 -1.901 1.00 10.24 C ATOM 429 O ALA A 27 -8.950 -10.193 -1.238 1.00 64.03 O ATOM 430 CB ALA A 27 -8.761 -7.161 -2.656 1.00 24.15 C ATOM 0 H ALA A 27 -6.368 -6.848 -2.179 1.00 64.34 H new ATOM 0 HA ALA A 27 -8.485 -7.807 -0.627 1.00 11.22 H new ATOM 0 HB1 ALA A 27 -9.807 -7.465 -2.701 1.00 24.15 H new ATOM 0 HB2 ALA A 27 -8.701 -6.105 -2.392 1.00 24.15 H new ATOM 0 HB3 ALA A 27 -8.295 -7.318 -3.629 1.00 24.15 H new ATOM 436 N LYS A 28 -7.435 -9.983 -2.889 1.00 25.53 N ATOM 437 CA LYS A 28 -7.489 -11.399 -3.277 1.00 42.32 C ATOM 438 C LYS A 28 -7.075 -12.321 -2.115 1.00 24.55 C ATOM 439 O LYS A 28 -7.706 -13.352 -1.872 1.00 20.15 O ATOM 440 CB LYS A 28 -6.587 -11.652 -4.493 1.00 22.24 C ATOM 441 CG LYS A 28 -6.654 -13.084 -5.016 1.00 3.11 C ATOM 442 CD LYS A 28 -5.673 -13.326 -6.160 1.00 50.42 C ATOM 443 CE LYS A 28 -5.749 -14.761 -6.676 1.00 13.44 C ATOM 444 NZ LYS A 28 -5.519 -15.758 -5.595 1.00 1.13 N ATOM 0 H LYS A 28 -6.782 -9.423 -3.438 1.00 25.53 H new ATOM 0 HA LYS A 28 -8.521 -11.631 -3.539 1.00 42.32 H new ATOM 0 HB2 LYS A 28 -6.870 -10.968 -5.293 1.00 22.24 H new ATOM 0 HB3 LYS A 28 -5.556 -11.420 -4.225 1.00 22.24 H new ATOM 0 HG2 LYS A 28 -6.439 -13.777 -4.202 1.00 3.11 H new ATOM 0 HG3 LYS A 28 -7.667 -13.298 -5.357 1.00 3.11 H new ATOM 0 HD2 LYS A 28 -5.887 -12.635 -6.975 1.00 50.42 H new ATOM 0 HD3 LYS A 28 -4.659 -13.115 -5.821 1.00 50.42 H new ATOM 0 HE2 LYS A 28 -6.727 -14.933 -7.125 1.00 13.44 H new ATOM 0 HE3 LYS A 28 -5.008 -14.903 -7.463 1.00 13.44 H new ATOM 0 HZ1 LYS A 28 -5.360 -16.696 -6.016 1.00 1.13 H new ATOM 0 HZ2 LYS A 28 -4.684 -15.482 -5.040 1.00 1.13 H new ATOM 0 HZ3 LYS A 28 -6.352 -15.794 -4.973 1.00 1.13 H new ATOM 458 N MET A 29 -6.014 -11.943 -1.402 1.00 33.32 N ATOM 459 CA MET A 29 -5.534 -12.716 -0.246 1.00 22.31 C ATOM 460 C MET A 29 -6.532 -12.650 0.921 1.00 24.04 C ATOM 461 O MET A 29 -6.640 -13.583 1.718 1.00 42.34 O ATOM 462 CB MET A 29 -4.166 -12.197 0.214 1.00 54.34 C ATOM 463 CG MET A 29 -3.085 -12.271 -0.854 1.00 34.41 C ATOM 464 SD MET A 29 -1.507 -11.613 -0.275 1.00 15.33 S ATOM 465 CE MET A 29 -0.533 -11.680 -1.777 1.00 15.02 C ATOM 0 H MET A 29 -5.467 -11.106 -1.601 1.00 33.32 H new ATOM 0 HA MET A 29 -5.438 -13.756 -0.559 1.00 22.31 H new ATOM 0 HB2 MET A 29 -4.272 -11.162 0.538 1.00 54.34 H new ATOM 0 HB3 MET A 29 -3.844 -12.772 1.083 1.00 54.34 H new ATOM 0 HG2 MET A 29 -2.953 -13.308 -1.163 1.00 34.41 H new ATOM 0 HG3 MET A 29 -3.408 -11.715 -1.734 1.00 34.41 H new ATOM 0 HE1 MET A 29 0.276 -10.952 -1.719 1.00 15.02 H new ATOM 0 HE2 MET A 29 -0.114 -12.679 -1.894 1.00 15.02 H new ATOM 0 HE3 MET A 29 -1.168 -11.450 -2.633 1.00 15.02 H new ATOM 475 N ALA A 30 -7.249 -11.534 1.018 1.00 12.13 N ATOM 476 CA ALA A 30 -8.264 -11.345 2.060 1.00 1.03 C ATOM 477 C ALA A 30 -9.542 -12.147 1.768 1.00 31.31 C ATOM 478 O ALA A 30 -10.344 -12.406 2.666 1.00 71.40 O ATOM 479 CB ALA A 30 -8.592 -9.865 2.202 1.00 70.24 C ATOM 0 H ALA A 30 -7.148 -10.740 0.385 1.00 12.13 H new ATOM 0 HA ALA A 30 -7.852 -11.718 2.997 1.00 1.03 H new ATOM 0 HB1 ALA A 30 -9.346 -9.732 2.977 1.00 70.24 H new ATOM 0 HB2 ALA A 30 -7.690 -9.317 2.475 1.00 70.24 H new ATOM 0 HB3 ALA A 30 -8.975 -9.485 1.255 1.00 70.24 H new ATOM 485 N GLY A 31 -9.724 -12.537 0.506 1.00 61.34 N ATOM 486 CA GLY A 31 -10.912 -13.289 0.112 1.00 24.31 C ATOM 487 C GLY A 31 -11.943 -12.435 -0.620 1.00 4.20 C ATOM 488 O GLY A 31 -13.097 -12.840 -0.784 1.00 1.13 O ATOM 0 H GLY A 31 -9.070 -12.346 -0.253 1.00 61.34 H new ATOM 0 HA2 GLY A 31 -10.614 -14.118 -0.530 1.00 24.31 H new ATOM 0 HA3 GLY A 31 -11.372 -13.722 1.000 1.00 24.31 H new ATOM 492 N TYR A 32 -11.526 -11.255 -1.076 1.00 45.43 N ATOM 493 CA TYR A 32 -12.417 -10.331 -1.793 1.00 24.22 C ATOM 494 C TYR A 32 -11.799 -9.873 -3.136 1.00 65.53 C ATOM 495 O TYR A 32 -11.516 -8.687 -3.324 1.00 70.03 O ATOM 496 CB TYR A 32 -12.715 -9.105 -0.912 1.00 15.31 C ATOM 497 CG TYR A 32 -13.312 -9.439 0.446 1.00 12.43 C ATOM 498 CD1 TYR A 32 -12.494 -9.728 1.536 1.00 21.31 C ATOM 499 CD2 TYR A 32 -14.688 -9.461 0.639 1.00 33.32 C ATOM 500 CE1 TYR A 32 -13.032 -10.028 2.773 1.00 21.34 C ATOM 501 CE2 TYR A 32 -15.233 -9.756 1.875 1.00 51.14 C ATOM 502 CZ TYR A 32 -14.401 -10.040 2.938 1.00 21.24 C ATOM 503 OH TYR A 32 -14.938 -10.335 4.171 1.00 31.22 O ATOM 0 H TYR A 32 -10.572 -10.911 -0.963 1.00 45.43 H new ATOM 0 HA TYR A 32 -13.344 -10.861 -2.013 1.00 24.22 H new ATOM 0 HB2 TYR A 32 -11.791 -8.547 -0.762 1.00 15.31 H new ATOM 0 HB3 TYR A 32 -13.401 -8.447 -1.445 1.00 15.31 H new ATOM 0 HD1 TYR A 32 -11.421 -9.717 1.412 1.00 21.31 H new ATOM 0 HD2 TYR A 32 -15.343 -9.244 -0.191 1.00 33.32 H new ATOM 0 HE1 TYR A 32 -12.383 -10.252 3.607 1.00 21.34 H new ATOM 0 HE2 TYR A 32 -16.305 -9.764 2.008 1.00 51.14 H new ATOM 0 HH TYR A 32 -15.916 -10.300 4.119 1.00 31.22 H new ATOM 513 N PRO A 33 -11.581 -10.804 -4.092 1.00 22.21 N ATOM 514 CA PRO A 33 -10.987 -10.471 -5.403 1.00 31.21 C ATOM 515 C PRO A 33 -11.849 -9.482 -6.208 1.00 15.33 C ATOM 516 O PRO A 33 -12.941 -9.822 -6.669 1.00 54.43 O ATOM 517 CB PRO A 33 -10.892 -11.833 -6.119 1.00 23.51 C ATOM 518 CG PRO A 33 -10.979 -12.845 -5.026 1.00 11.14 C ATOM 519 CD PRO A 33 -11.883 -12.242 -3.989 1.00 60.30 C ATOM 0 HA PRO A 33 -10.024 -9.972 -5.296 1.00 31.21 H new ATOM 0 HB2 PRO A 33 -11.700 -11.958 -6.839 1.00 23.51 H new ATOM 0 HB3 PRO A 33 -9.956 -11.926 -6.670 1.00 23.51 H new ATOM 0 HG2 PRO A 33 -11.381 -13.788 -5.396 1.00 11.14 H new ATOM 0 HG3 PRO A 33 -9.994 -13.059 -4.611 1.00 11.14 H new ATOM 0 HD2 PRO A 33 -12.933 -12.451 -4.196 1.00 60.30 H new ATOM 0 HD3 PRO A 33 -11.671 -12.630 -2.993 1.00 60.30 H new ATOM 527 N GLY A 34 -11.352 -8.257 -6.372 1.00 14.12 N ATOM 528 CA GLY A 34 -12.106 -7.221 -7.075 1.00 34.41 C ATOM 529 C GLY A 34 -12.315 -5.965 -6.235 1.00 50.24 C ATOM 530 O GLY A 34 -12.483 -4.870 -6.771 1.00 62.15 O ATOM 0 H GLY A 34 -10.438 -7.959 -6.031 1.00 14.12 H new ATOM 0 HA2 GLY A 34 -11.580 -6.955 -7.992 1.00 34.41 H new ATOM 0 HA3 GLY A 34 -13.076 -7.621 -7.369 1.00 34.41 H new ATOM 534 N TYR A 35 -12.280 -6.116 -4.913 1.00 13.52 N ATOM 535 CA TYR A 35 -12.475 -4.983 -3.992 1.00 40.53 C ATOM 536 C TYR A 35 -11.197 -4.136 -3.830 1.00 63.45 C ATOM 537 O TYR A 35 -10.989 -3.509 -2.794 1.00 74.31 O ATOM 538 CB TYR A 35 -12.944 -5.495 -2.622 1.00 32.43 C ATOM 539 CG TYR A 35 -14.403 -5.921 -2.593 1.00 60.33 C ATOM 540 CD1 TYR A 35 -14.798 -7.177 -3.041 1.00 34.05 C ATOM 541 CD2 TYR A 35 -15.386 -5.061 -2.111 1.00 23.12 C ATOM 542 CE1 TYR A 35 -16.126 -7.562 -3.012 1.00 1.15 C ATOM 543 CE2 TYR A 35 -16.714 -5.439 -2.080 1.00 74.21 C ATOM 544 CZ TYR A 35 -17.079 -6.690 -2.531 1.00 61.34 C ATOM 545 OH TYR A 35 -18.403 -7.065 -2.501 1.00 51.50 O ATOM 0 H TYR A 35 -12.119 -7.010 -4.449 1.00 13.52 H new ATOM 0 HA TYR A 35 -13.240 -4.338 -4.425 1.00 40.53 H new ATOM 0 HB2 TYR A 35 -12.322 -6.341 -2.328 1.00 32.43 H new ATOM 0 HB3 TYR A 35 -12.789 -4.712 -1.879 1.00 32.43 H new ATOM 0 HD1 TYR A 35 -14.055 -7.864 -3.418 1.00 34.05 H new ATOM 0 HD2 TYR A 35 -15.105 -4.081 -1.755 1.00 23.12 H new ATOM 0 HE1 TYR A 35 -16.415 -8.541 -3.365 1.00 1.15 H new ATOM 0 HE2 TYR A 35 -17.463 -4.758 -1.704 1.00 74.21 H new ATOM 0 HH TYR A 35 -18.942 -6.334 -2.132 1.00 51.50 H new ATOM 555 N ALA A 36 -10.379 -4.081 -4.879 1.00 50.12 N ATOM 556 CA ALA A 36 -9.104 -3.352 -4.846 1.00 21.11 C ATOM 557 C ALA A 36 -9.280 -1.876 -4.436 1.00 43.00 C ATOM 558 O ALA A 36 -8.786 -1.444 -3.390 1.00 65.22 O ATOM 559 CB ALA A 36 -8.425 -3.446 -6.209 1.00 74.11 C ATOM 0 H ALA A 36 -10.575 -4.535 -5.771 1.00 50.12 H new ATOM 0 HA ALA A 36 -8.477 -3.819 -4.087 1.00 21.11 H new ATOM 0 HB1 ALA A 36 -7.479 -2.905 -6.183 1.00 74.11 H new ATOM 0 HB2 ALA A 36 -8.238 -4.492 -6.451 1.00 74.11 H new ATOM 0 HB3 ALA A 36 -9.072 -3.008 -6.969 1.00 74.11 H new ATOM 565 N ARG A 37 -9.976 -1.104 -5.270 1.00 21.31 N ATOM 566 CA ARG A 37 -10.256 0.311 -4.979 1.00 14.31 C ATOM 567 C ARG A 37 -10.943 0.504 -3.612 1.00 1.51 C ATOM 568 O ARG A 37 -10.738 1.522 -2.947 1.00 24.23 O ATOM 569 CB ARG A 37 -11.117 0.920 -6.096 1.00 24.40 C ATOM 570 CG ARG A 37 -12.365 0.108 -6.425 1.00 74.42 C ATOM 571 CD ARG A 37 -13.164 0.735 -7.559 1.00 44.14 C ATOM 572 NE ARG A 37 -14.288 -0.101 -7.965 1.00 15.41 N ATOM 573 CZ ARG A 37 -15.299 0.323 -8.668 1.00 64.13 C ATOM 574 NH1 ARG A 37 -15.371 1.562 -9.038 1.00 21.02 N ATOM 575 NH2 ARG A 37 -16.238 -0.496 -9.007 1.00 22.02 N ATOM 0 H ARG A 37 -10.359 -1.431 -6.157 1.00 21.31 H new ATOM 0 HA ARG A 37 -9.297 0.828 -4.934 1.00 14.31 H new ATOM 0 HB2 ARG A 37 -11.417 1.926 -5.803 1.00 24.40 H new ATOM 0 HB3 ARG A 37 -10.511 1.018 -6.997 1.00 24.40 H new ATOM 0 HG2 ARG A 37 -12.077 -0.906 -6.701 1.00 74.42 H new ATOM 0 HG3 ARG A 37 -12.993 0.031 -5.537 1.00 74.42 H new ATOM 0 HD2 ARG A 37 -13.534 1.711 -7.245 1.00 44.14 H new ATOM 0 HD3 ARG A 37 -12.509 0.902 -8.414 1.00 44.14 H new ATOM 0 HE ARG A 37 -14.282 -1.080 -7.680 1.00 15.41 H new ATOM 0 HH11 ARG A 37 -14.632 2.215 -8.779 1.00 21.02 H new ATOM 0 HH12 ARG A 37 -16.167 1.884 -9.588 1.00 21.02 H new ATOM 0 HH21 ARG A 37 -16.188 -1.475 -8.724 1.00 22.02 H new ATOM 0 HH22 ARG A 37 -17.030 -0.164 -9.558 1.00 22.02 H new ATOM 589 N HIS A 38 -11.748 -0.474 -3.197 1.00 70.04 N ATOM 590 CA HIS A 38 -12.432 -0.415 -1.898 1.00 32.21 C ATOM 591 C HIS A 38 -11.425 -0.465 -0.740 1.00 70.20 C ATOM 592 O HIS A 38 -11.574 0.246 0.256 1.00 33.05 O ATOM 593 CB HIS A 38 -13.442 -1.558 -1.771 1.00 2.04 C ATOM 594 CG HIS A 38 -14.510 -1.531 -2.823 1.00 43.13 C ATOM 595 ND1 HIS A 38 -15.727 -0.947 -2.592 1.00 2.32 N ATOM 596 CD2 HIS A 38 -14.494 -2.036 -4.078 1.00 2.14 C ATOM 597 CE1 HIS A 38 -16.422 -1.107 -3.704 1.00 52.24 C ATOM 598 NE2 HIS A 38 -15.718 -1.765 -4.634 1.00 43.45 N ATOM 0 H HIS A 38 -11.944 -1.316 -3.738 1.00 70.04 H new ATOM 0 HA HIS A 38 -12.966 0.534 -1.844 1.00 32.21 H new ATOM 0 HB2 HIS A 38 -12.912 -2.509 -1.827 1.00 2.04 H new ATOM 0 HB3 HIS A 38 -13.910 -1.511 -0.788 1.00 2.04 H new ATOM 0 HD2 HIS A 38 -13.673 -2.554 -4.552 1.00 2.14 H new ATOM 0 HE1 HIS A 38 -17.432 -0.752 -3.845 1.00 52.24 H new ATOM 0 HE2 HIS A 38 -16.031 -2.015 -5.572 1.00 43.45 H new ATOM 606 N VAL A 39 -10.398 -1.306 -0.881 1.00 62.44 N ATOM 607 CA VAL A 39 -9.296 -1.350 0.088 1.00 25.42 C ATOM 608 C VAL A 39 -8.645 0.034 0.215 1.00 23.41 C ATOM 609 O VAL A 39 -8.390 0.518 1.318 1.00 34.12 O ATOM 610 CB VAL A 39 -8.217 -2.392 -0.317 1.00 12.43 C ATOM 611 CG1 VAL A 39 -7.069 -2.418 0.696 1.00 61.34 C ATOM 612 CG2 VAL A 39 -8.837 -3.781 -0.466 1.00 4.32 C ATOM 0 H VAL A 39 -10.305 -1.965 -1.654 1.00 62.44 H new ATOM 0 HA VAL A 39 -9.717 -1.649 1.048 1.00 25.42 H new ATOM 0 HB VAL A 39 -7.807 -2.094 -1.282 1.00 12.43 H new ATOM 0 HG11 VAL A 39 -6.328 -3.156 0.388 1.00 61.34 H new ATOM 0 HG12 VAL A 39 -6.603 -1.434 0.743 1.00 61.34 H new ATOM 0 HG13 VAL A 39 -7.457 -2.683 1.679 1.00 61.34 H new ATOM 0 HG21 VAL A 39 -8.065 -4.496 -0.750 1.00 4.32 H new ATOM 0 HG22 VAL A 39 -9.282 -4.085 0.482 1.00 4.32 H new ATOM 0 HG23 VAL A 39 -9.608 -3.755 -1.236 1.00 4.32 H new ATOM 622 N GLY A 40 -8.399 0.672 -0.929 1.00 31.53 N ATOM 623 CA GLY A 40 -7.871 2.035 -0.942 1.00 14.05 C ATOM 624 C GLY A 40 -8.767 3.022 -0.195 1.00 14.44 C ATOM 625 O GLY A 40 -8.282 3.866 0.562 1.00 30.24 O ATOM 0 H GLY A 40 -8.556 0.270 -1.853 1.00 31.53 H new ATOM 0 HA2 GLY A 40 -6.878 2.040 -0.492 1.00 14.05 H new ATOM 0 HA3 GLY A 40 -7.755 2.365 -1.974 1.00 14.05 H new ATOM 629 N LYS A 41 -10.080 2.911 -0.405 1.00 23.12 N ATOM 630 CA LYS A 41 -11.061 3.747 0.305 1.00 11.32 C ATOM 631 C LYS A 41 -11.007 3.499 1.822 1.00 64.30 C ATOM 632 O LYS A 41 -11.242 4.406 2.624 1.00 12.14 O ATOM 633 CB LYS A 41 -12.477 3.465 -0.224 1.00 10.31 C ATOM 634 CG LYS A 41 -12.674 3.851 -1.689 1.00 40.41 C ATOM 635 CD LYS A 41 -14.037 3.419 -2.240 1.00 60.12 C ATOM 636 CE LYS A 41 -15.211 4.147 -1.584 1.00 64.33 C ATOM 637 NZ LYS A 41 -15.507 3.650 -0.213 1.00 70.32 N ATOM 0 H LYS A 41 -10.494 2.250 -1.062 1.00 23.12 H new ATOM 0 HA LYS A 41 -10.810 4.792 0.122 1.00 11.32 H new ATOM 0 HB2 LYS A 41 -12.695 2.404 -0.105 1.00 10.31 H new ATOM 0 HB3 LYS A 41 -13.198 4.009 0.386 1.00 10.31 H new ATOM 0 HG2 LYS A 41 -12.572 4.931 -1.792 1.00 40.41 H new ATOM 0 HG3 LYS A 41 -11.885 3.397 -2.289 1.00 40.41 H new ATOM 0 HD2 LYS A 41 -14.061 3.600 -3.315 1.00 60.12 H new ATOM 0 HD3 LYS A 41 -14.157 2.345 -2.094 1.00 60.12 H new ATOM 0 HE2 LYS A 41 -14.991 5.214 -1.539 1.00 64.33 H new ATOM 0 HE3 LYS A 41 -16.098 4.031 -2.207 1.00 64.33 H new ATOM 0 HZ1 LYS A 41 -16.525 3.457 -0.126 1.00 70.32 H new ATOM 0 HZ2 LYS A 41 -14.973 2.775 -0.038 1.00 70.32 H new ATOM 0 HZ3 LYS A 41 -15.230 4.370 0.485 1.00 70.32 H new ATOM 651 N ALA A 42 -10.702 2.260 2.205 1.00 61.14 N ATOM 652 CA ALA A 42 -10.556 1.891 3.617 1.00 12.34 C ATOM 653 C ALA A 42 -9.268 2.474 4.220 1.00 12.25 C ATOM 654 O ALA A 42 -9.268 2.983 5.343 1.00 23.30 O ATOM 655 CB ALA A 42 -10.569 0.372 3.760 1.00 24.43 C ATOM 0 H ALA A 42 -10.550 1.489 1.555 1.00 61.14 H new ATOM 0 HA ALA A 42 -11.398 2.312 4.167 1.00 12.34 H new ATOM 0 HB1 ALA A 42 -10.460 0.105 4.811 1.00 24.43 H new ATOM 0 HB2 ALA A 42 -11.513 -0.021 3.381 1.00 24.43 H new ATOM 0 HB3 ALA A 42 -9.744 -0.054 3.190 1.00 24.43 H new ATOM 661 N LEU A 43 -8.169 2.399 3.466 1.00 51.12 N ATOM 662 CA LEU A 43 -6.876 2.938 3.914 1.00 43.23 C ATOM 663 C LEU A 43 -6.944 4.458 4.129 1.00 63.20 C ATOM 664 O LEU A 43 -6.289 5.001 5.020 1.00 44.30 O ATOM 665 CB LEU A 43 -5.776 2.593 2.898 1.00 43.41 C ATOM 666 CG LEU A 43 -5.554 1.088 2.665 1.00 74.44 C ATOM 667 CD1 LEU A 43 -4.468 0.851 1.618 1.00 25.24 C ATOM 668 CD2 LEU A 43 -5.211 0.381 3.976 1.00 14.13 C ATOM 0 H LEU A 43 -8.145 1.970 2.541 1.00 51.12 H new ATOM 0 HA LEU A 43 -6.635 2.476 4.872 1.00 43.23 H new ATOM 0 HB2 LEU A 43 -6.023 3.060 1.945 1.00 43.41 H new ATOM 0 HB3 LEU A 43 -4.839 3.035 3.236 1.00 43.41 H new ATOM 0 HG LEU A 43 -6.484 0.665 2.285 1.00 74.44 H new ATOM 0 HD11 LEU A 43 -4.331 -0.220 1.472 1.00 25.24 H new ATOM 0 HD12 LEU A 43 -4.765 1.310 0.675 1.00 25.24 H new ATOM 0 HD13 LEU A 43 -3.532 1.294 1.958 1.00 25.24 H new ATOM 0 HD21 LEU A 43 -5.058 -0.682 3.787 1.00 14.13 H new ATOM 0 HD22 LEU A 43 -4.300 0.810 4.393 1.00 14.13 H new ATOM 0 HD23 LEU A 43 -6.030 0.510 4.684 1.00 14.13 H new ATOM 680 N GLY A 44 -7.755 5.137 3.315 1.00 74.31 N ATOM 681 CA GLY A 44 -7.958 6.577 3.469 1.00 62.34 C ATOM 682 C GLY A 44 -8.617 6.962 4.800 1.00 53.10 C ATOM 683 O GLY A 44 -8.656 8.140 5.166 1.00 51.13 O ATOM 0 H GLY A 44 -8.278 4.715 2.548 1.00 74.31 H new ATOM 0 HA2 GLY A 44 -6.996 7.082 3.389 1.00 62.34 H new ATOM 0 HA3 GLY A 44 -8.577 6.939 2.648 1.00 62.34 H new ATOM 687 N ASN A 45 -9.147 5.972 5.519 1.00 12.14 N ATOM 688 CA ASN A 45 -9.762 6.199 6.832 1.00 34.22 C ATOM 689 C ASN A 45 -8.700 6.167 7.952 1.00 44.30 C ATOM 690 O ASN A 45 -8.939 6.628 9.071 1.00 22.21 O ATOM 691 CB ASN A 45 -10.841 5.135 7.089 1.00 3.31 C ATOM 692 CG ASN A 45 -11.649 5.407 8.346 1.00 1.23 C ATOM 693 OD1 ASN A 45 -11.289 4.978 9.439 1.00 52.40 O ATOM 694 ND2 ASN A 45 -12.751 6.116 8.203 1.00 24.34 N ATOM 0 H ASN A 45 -9.164 4.999 5.214 1.00 12.14 H new ATOM 0 HA ASN A 45 -10.223 7.187 6.834 1.00 34.22 H new ATOM 0 HB2 ASN A 45 -11.514 5.092 6.232 1.00 3.31 H new ATOM 0 HB3 ASN A 45 -10.368 4.157 7.172 1.00 3.31 H new ATOM 0 HD21 ASN A 45 -13.333 6.323 9.015 1.00 24.34 H new ATOM 0 HD22 ASN A 45 -13.022 6.458 7.281 1.00 24.34 H new ATOM 701 N LEU A 46 -7.519 5.635 7.635 1.00 61.12 N ATOM 702 CA LEU A 46 -6.434 5.480 8.615 1.00 22.51 C ATOM 703 C LEU A 46 -5.635 6.779 8.816 1.00 71.02 C ATOM 704 O LEU A 46 -5.492 7.589 7.894 1.00 74.13 O ATOM 705 CB LEU A 46 -5.487 4.356 8.166 1.00 25.54 C ATOM 706 CG LEU A 46 -6.106 2.950 8.152 1.00 30.22 C ATOM 707 CD1 LEU A 46 -5.167 1.957 7.479 1.00 14.10 C ATOM 708 CD2 LEU A 46 -6.438 2.497 9.573 1.00 45.32 C ATOM 0 H LEU A 46 -7.285 5.301 6.700 1.00 61.12 H new ATOM 0 HA LEU A 46 -6.893 5.228 9.571 1.00 22.51 H new ATOM 0 HB2 LEU A 46 -5.124 4.586 7.164 1.00 25.54 H new ATOM 0 HB3 LEU A 46 -4.619 4.348 8.826 1.00 25.54 H new ATOM 0 HG LEU A 46 -7.032 2.988 7.578 1.00 30.22 H new ATOM 0 HD11 LEU A 46 -5.623 0.967 7.479 1.00 14.10 H new ATOM 0 HD12 LEU A 46 -4.981 2.271 6.452 1.00 14.10 H new ATOM 0 HD13 LEU A 46 -4.224 1.922 8.024 1.00 14.10 H new ATOM 0 HD21 LEU A 46 -6.876 1.499 9.544 1.00 45.32 H new ATOM 0 HD22 LEU A 46 -5.527 2.476 10.171 1.00 45.32 H new ATOM 0 HD23 LEU A 46 -7.149 3.192 10.020 1.00 45.32 H new ATOM 720 N PRO A 47 -5.112 7.005 10.041 1.00 13.24 N ATOM 721 CA PRO A 47 -4.221 8.142 10.320 1.00 51.33 C ATOM 722 C PRO A 47 -2.796 7.906 9.788 1.00 55.05 C ATOM 723 O PRO A 47 -2.412 6.773 9.485 1.00 24.41 O ATOM 724 CB PRO A 47 -4.233 8.218 11.851 1.00 24.03 C ATOM 725 CG PRO A 47 -4.462 6.810 12.293 1.00 70.44 C ATOM 726 CD PRO A 47 -5.360 6.187 11.251 1.00 1.41 C ATOM 0 HA PRO A 47 -4.548 9.061 9.834 1.00 51.33 H new ATOM 0 HB2 PRO A 47 -3.291 8.607 12.237 1.00 24.03 H new ATOM 0 HB3 PRO A 47 -5.021 8.880 12.209 1.00 24.03 H new ATOM 0 HG2 PRO A 47 -3.520 6.267 12.371 1.00 70.44 H new ATOM 0 HG3 PRO A 47 -4.929 6.781 13.278 1.00 70.44 H new ATOM 0 HD2 PRO A 47 -5.112 5.139 11.084 1.00 1.41 H new ATOM 0 HD3 PRO A 47 -6.407 6.223 11.551 1.00 1.41 H new ATOM 734 N GLU A 48 -2.014 8.977 9.674 1.00 34.02 N ATOM 735 CA GLU A 48 -0.643 8.881 9.156 1.00 51.20 C ATOM 736 C GLU A 48 0.213 7.899 9.972 1.00 32.45 C ATOM 737 O GLU A 48 0.823 6.985 9.414 1.00 5.53 O ATOM 738 CB GLU A 48 0.019 10.263 9.132 1.00 30.43 C ATOM 739 CG GLU A 48 -0.674 11.257 8.204 1.00 21.43 C ATOM 740 CD GLU A 48 0.061 12.583 8.113 1.00 12.52 C ATOM 741 OE1 GLU A 48 1.021 12.677 7.321 1.00 1.20 O ATOM 742 OE2 GLU A 48 -0.316 13.531 8.834 1.00 3.04 O ATOM 0 H GLU A 48 -2.301 9.921 9.932 1.00 34.02 H new ATOM 0 HA GLU A 48 -0.708 8.496 8.138 1.00 51.20 H new ATOM 0 HB2 GLU A 48 0.029 10.669 10.143 1.00 30.43 H new ATOM 0 HB3 GLU A 48 1.058 10.153 8.822 1.00 30.43 H new ATOM 0 HG2 GLU A 48 -0.755 10.822 7.208 1.00 21.43 H new ATOM 0 HG3 GLU A 48 -1.689 11.433 8.559 1.00 21.43 H new ATOM 749 N GLY A 49 0.253 8.087 11.288 1.00 72.53 N ATOM 750 CA GLY A 49 1.034 7.204 12.152 1.00 73.34 C ATOM 751 C GLY A 49 0.218 6.051 12.733 1.00 52.25 C ATOM 752 O GLY A 49 0.175 5.862 13.950 1.00 40.43 O ATOM 0 H GLY A 49 -0.240 8.834 11.777 1.00 72.53 H new ATOM 0 HA2 GLY A 49 1.871 6.798 11.583 1.00 73.34 H new ATOM 0 HA3 GLY A 49 1.458 7.788 12.969 1.00 73.34 H new ATOM 756 N SER A 50 -0.432 5.281 11.863 1.00 73.41 N ATOM 757 CA SER A 50 -1.220 4.116 12.289 1.00 23.31 C ATOM 758 C SER A 50 -0.326 2.904 12.570 1.00 42.30 C ATOM 759 O SER A 50 0.786 2.805 12.050 1.00 24.24 O ATOM 760 CB SER A 50 -2.252 3.741 11.215 1.00 13.42 C ATOM 761 OG SER A 50 -2.979 2.573 11.578 1.00 24.25 O ATOM 0 H SER A 50 -0.431 5.440 10.855 1.00 73.41 H new ATOM 0 HA SER A 50 -1.732 4.393 13.210 1.00 23.31 H new ATOM 0 HB2 SER A 50 -2.944 4.571 11.068 1.00 13.42 H new ATOM 0 HB3 SER A 50 -1.746 3.575 10.264 1.00 13.42 H new ATOM 0 HG SER A 50 -3.384 2.178 10.778 1.00 24.25 H new ATOM 767 N LYS A 51 -0.819 1.982 13.396 1.00 2.42 N ATOM 768 CA LYS A 51 -0.111 0.723 13.652 1.00 34.44 C ATOM 769 C LYS A 51 -0.085 -0.143 12.381 1.00 63.34 C ATOM 770 O LYS A 51 0.811 -0.969 12.184 1.00 62.41 O ATOM 771 CB LYS A 51 -0.777 -0.043 14.805 1.00 34.01 C ATOM 772 CG LYS A 51 -0.048 -1.329 15.185 1.00 5.40 C ATOM 773 CD LYS A 51 -0.737 -2.066 16.330 1.00 15.12 C ATOM 774 CE LYS A 51 0.010 -3.342 16.710 1.00 60.24 C ATOM 775 NZ LYS A 51 0.059 -4.323 15.590 1.00 13.43 N ATOM 0 H LYS A 51 -1.701 2.080 13.898 1.00 2.42 H new ATOM 0 HA LYS A 51 0.915 0.955 13.937 1.00 34.44 H new ATOM 0 HB2 LYS A 51 -0.830 0.606 15.679 1.00 34.01 H new ATOM 0 HB3 LYS A 51 -1.802 -0.285 14.525 1.00 34.01 H new ATOM 0 HG2 LYS A 51 0.008 -1.984 14.315 1.00 5.40 H new ATOM 0 HG3 LYS A 51 0.977 -1.093 15.472 1.00 5.40 H new ATOM 0 HD2 LYS A 51 -0.802 -1.410 17.198 1.00 15.12 H new ATOM 0 HD3 LYS A 51 -1.758 -2.314 16.041 1.00 15.12 H new ATOM 0 HE2 LYS A 51 1.026 -3.089 17.013 1.00 60.24 H new ATOM 0 HE3 LYS A 51 -0.475 -3.801 17.571 1.00 60.24 H new ATOM 0 HZ1 LYS A 51 0.406 -5.237 15.944 1.00 13.43 H new ATOM 0 HZ2 LYS A 51 -0.895 -4.445 15.193 1.00 13.43 H new ATOM 0 HZ3 LYS A 51 0.700 -3.973 14.850 1.00 13.43 H new ATOM 789 N LEU A 52 -1.084 0.064 11.526 1.00 71.11 N ATOM 790 CA LEU A 52 -1.178 -0.625 10.239 1.00 41.00 C ATOM 791 C LEU A 52 -0.522 0.209 9.123 1.00 50.22 C ATOM 792 O LEU A 52 -0.967 1.323 8.832 1.00 74.13 O ATOM 793 CB LEU A 52 -2.651 -0.882 9.896 1.00 42.23 C ATOM 794 CG LEU A 52 -2.911 -1.500 8.511 1.00 22.44 C ATOM 795 CD1 LEU A 52 -2.351 -2.913 8.426 1.00 51.50 C ATOM 796 CD2 LEU A 52 -4.399 -1.489 8.194 1.00 30.23 C ATOM 0 H LEU A 52 -1.851 0.713 11.704 1.00 71.11 H new ATOM 0 HA LEU A 52 -0.650 -1.575 10.316 1.00 41.00 H new ATOM 0 HB2 LEU A 52 -3.073 -1.542 10.654 1.00 42.23 H new ATOM 0 HB3 LEU A 52 -3.191 0.063 9.960 1.00 42.23 H new ATOM 0 HG LEU A 52 -2.395 -0.893 7.767 1.00 22.44 H new ATOM 0 HD11 LEU A 52 -2.550 -3.324 7.436 1.00 51.50 H new ATOM 0 HD12 LEU A 52 -1.275 -2.889 8.600 1.00 51.50 H new ATOM 0 HD13 LEU A 52 -2.827 -3.539 9.181 1.00 51.50 H new ATOM 0 HD21 LEU A 52 -4.565 -1.930 7.211 1.00 30.23 H new ATOM 0 HD22 LEU A 52 -4.936 -2.067 8.946 1.00 30.23 H new ATOM 0 HD23 LEU A 52 -4.764 -0.462 8.198 1.00 30.23 H new ATOM 808 N PRO A 53 0.542 -0.312 8.479 1.00 23.34 N ATOM 809 CA PRO A 53 1.214 0.411 7.390 1.00 61.14 C ATOM 810 C PRO A 53 0.368 0.456 6.103 1.00 35.10 C ATOM 811 O PRO A 53 0.380 -0.476 5.300 1.00 52.04 O ATOM 812 CB PRO A 53 2.505 -0.393 7.178 1.00 25.23 C ATOM 813 CG PRO A 53 2.178 -1.775 7.645 1.00 45.23 C ATOM 814 CD PRO A 53 1.170 -1.620 8.757 1.00 44.12 C ATOM 0 HA PRO A 53 1.390 1.458 7.637 1.00 61.14 H new ATOM 0 HB2 PRO A 53 2.804 -0.391 6.130 1.00 25.23 H new ATOM 0 HB3 PRO A 53 3.332 0.031 7.747 1.00 25.23 H new ATOM 0 HG2 PRO A 53 1.770 -2.374 6.831 1.00 45.23 H new ATOM 0 HG3 PRO A 53 3.072 -2.287 8.000 1.00 45.23 H new ATOM 0 HD2 PRO A 53 0.437 -2.426 8.748 1.00 44.12 H new ATOM 0 HD3 PRO A 53 1.648 -1.635 9.736 1.00 44.12 H new ATOM 822 N TRP A 54 -0.356 1.557 5.913 1.00 33.50 N ATOM 823 CA TRP A 54 -1.238 1.729 4.747 1.00 32.22 C ATOM 824 C TRP A 54 -0.461 2.159 3.490 1.00 43.34 C ATOM 825 O TRP A 54 -0.874 1.895 2.360 1.00 50.20 O ATOM 826 CB TRP A 54 -2.342 2.756 5.071 1.00 43.20 C ATOM 827 CG TRP A 54 -1.831 4.067 5.621 1.00 4.14 C ATOM 828 CD1 TRP A 54 -1.710 4.414 6.939 1.00 55.11 C ATOM 829 CD2 TRP A 54 -1.385 5.204 4.870 1.00 3.01 C ATOM 830 NE1 TRP A 54 -1.213 5.692 7.048 1.00 4.04 N ATOM 831 CE2 TRP A 54 -1.006 6.199 5.793 1.00 44.42 C ATOM 832 CE3 TRP A 54 -1.265 5.473 3.506 1.00 53.24 C ATOM 833 CZ2 TRP A 54 -0.518 7.444 5.390 1.00 65.53 C ATOM 834 CZ3 TRP A 54 -0.784 6.704 3.110 1.00 43.01 C ATOM 835 CH2 TRP A 54 -0.415 7.675 4.048 1.00 63.24 C ATOM 0 H TRP A 54 -0.353 2.351 6.553 1.00 33.50 H new ATOM 0 HA TRP A 54 -1.691 0.762 4.530 1.00 32.22 H new ATOM 0 HB2 TRP A 54 -2.914 2.954 4.165 1.00 43.20 H new ATOM 0 HB3 TRP A 54 -3.030 2.316 5.793 1.00 43.20 H new ATOM 0 HD1 TRP A 54 -1.967 3.777 7.772 1.00 55.11 H new ATOM 0 HE1 TRP A 54 -1.028 6.183 7.923 1.00 4.04 H new ATOM 0 HE3 TRP A 54 -1.544 4.730 2.773 1.00 53.24 H new ATOM 0 HZ2 TRP A 54 -0.233 8.195 6.112 1.00 65.53 H new ATOM 0 HZ3 TRP A 54 -0.690 6.922 2.056 1.00 43.01 H new ATOM 0 HH2 TRP A 54 -0.041 8.628 3.703 1.00 63.24 H new ATOM 846 N PHE A 55 0.682 2.796 3.704 1.00 44.01 N ATOM 847 CA PHE A 55 1.480 3.379 2.616 1.00 30.51 C ATOM 848 C PHE A 55 2.123 2.328 1.690 1.00 51.54 C ATOM 849 O PHE A 55 2.617 2.664 0.614 1.00 33.12 O ATOM 850 CB PHE A 55 2.566 4.279 3.216 1.00 5.53 C ATOM 851 CG PHE A 55 3.458 3.581 4.214 1.00 20.23 C ATOM 852 CD1 PHE A 55 3.098 3.501 5.552 1.00 24.50 C ATOM 853 CD2 PHE A 55 4.660 3.015 3.816 1.00 54.54 C ATOM 854 CE1 PHE A 55 3.916 2.873 6.468 1.00 4.40 C ATOM 855 CE2 PHE A 55 5.482 2.385 4.728 1.00 2.45 C ATOM 856 CZ PHE A 55 5.109 2.315 6.056 1.00 43.41 C ATOM 0 H PHE A 55 1.088 2.927 4.631 1.00 44.01 H new ATOM 0 HA PHE A 55 0.796 3.956 1.993 1.00 30.51 H new ATOM 0 HB2 PHE A 55 3.182 4.676 2.409 1.00 5.53 H new ATOM 0 HB3 PHE A 55 2.090 5.131 3.702 1.00 5.53 H new ATOM 0 HD1 PHE A 55 2.166 3.936 5.880 1.00 24.50 H new ATOM 0 HD2 PHE A 55 4.957 3.068 2.779 1.00 54.54 H new ATOM 0 HE1 PHE A 55 3.623 2.818 7.506 1.00 4.40 H new ATOM 0 HE2 PHE A 55 6.415 1.948 4.404 1.00 2.45 H new ATOM 0 HZ PHE A 55 5.751 1.824 6.772 1.00 43.41 H new ATOM 866 N ARG A 56 2.116 1.062 2.104 1.00 75.22 N ATOM 867 CA ARG A 56 2.783 -0.001 1.337 1.00 12.14 C ATOM 868 C ARG A 56 1.874 -0.609 0.256 1.00 51.24 C ATOM 869 O ARG A 56 2.285 -1.526 -0.452 1.00 60.21 O ATOM 870 CB ARG A 56 3.279 -1.108 2.281 1.00 42.33 C ATOM 871 CG ARG A 56 4.305 -0.630 3.304 1.00 2.33 C ATOM 872 CD ARG A 56 4.806 -1.770 4.188 1.00 61.12 C ATOM 873 NE ARG A 56 5.736 -1.299 5.213 1.00 4.40 N ATOM 874 CZ ARG A 56 5.900 -1.865 6.377 1.00 71.11 C ATOM 875 NH1 ARG A 56 5.282 -2.962 6.679 1.00 14.21 N ATOM 876 NH2 ARG A 56 6.707 -1.345 7.237 1.00 63.15 N ATOM 0 H ARG A 56 1.661 0.744 2.959 1.00 75.22 H new ATOM 0 HA ARG A 56 3.630 0.460 0.829 1.00 12.14 H new ATOM 0 HB2 ARG A 56 2.425 -1.533 2.808 1.00 42.33 H new ATOM 0 HB3 ARG A 56 3.718 -1.910 1.687 1.00 42.33 H new ATOM 0 HG2 ARG A 56 5.149 -0.176 2.785 1.00 2.33 H new ATOM 0 HG3 ARG A 56 3.860 0.145 3.929 1.00 2.33 H new ATOM 0 HD2 ARG A 56 3.957 -2.259 4.666 1.00 61.12 H new ATOM 0 HD3 ARG A 56 5.298 -2.520 3.569 1.00 61.12 H new ATOM 0 HE ARG A 56 6.295 -0.472 5.004 1.00 4.40 H new ATOM 0 HH11 ARG A 56 4.655 -3.397 6.002 1.00 14.21 H new ATOM 0 HH12 ARG A 56 5.422 -3.391 7.594 1.00 14.21 H new ATOM 0 HH21 ARG A 56 7.217 -0.492 7.007 1.00 63.15 H new ATOM 0 HH22 ARG A 56 6.836 -1.787 8.147 1.00 63.15 H new ATOM 890 N VAL A 57 0.649 -0.104 0.120 1.00 41.42 N ATOM 891 CA VAL A 57 -0.298 -0.645 -0.867 1.00 12.41 C ATOM 892 C VAL A 57 -0.535 0.343 -2.031 1.00 3.44 C ATOM 893 O VAL A 57 -1.180 1.381 -1.868 1.00 31.33 O ATOM 894 CB VAL A 57 -1.655 -1.008 -0.207 1.00 23.24 C ATOM 895 CG1 VAL A 57 -2.538 -1.787 -1.178 1.00 22.24 C ATOM 896 CG2 VAL A 57 -1.441 -1.800 1.085 1.00 34.04 C ATOM 0 H VAL A 57 0.286 0.672 0.673 1.00 41.42 H new ATOM 0 HA VAL A 57 0.152 -1.552 -1.269 1.00 12.41 H new ATOM 0 HB VAL A 57 -2.165 -0.079 0.047 1.00 23.24 H new ATOM 0 HG11 VAL A 57 -3.484 -2.031 -0.694 1.00 22.24 H new ATOM 0 HG12 VAL A 57 -2.729 -1.180 -2.063 1.00 22.24 H new ATOM 0 HG13 VAL A 57 -2.033 -2.707 -1.471 1.00 22.24 H new ATOM 0 HG21 VAL A 57 -2.407 -2.042 1.528 1.00 34.04 H new ATOM 0 HG22 VAL A 57 -0.903 -2.721 0.862 1.00 34.04 H new ATOM 0 HG23 VAL A 57 -0.860 -1.201 1.787 1.00 34.04 H new ATOM 906 N ILE A 58 -0.008 0.001 -3.207 1.00 72.35 N ATOM 907 CA ILE A 58 -0.107 0.851 -4.405 1.00 4.04 C ATOM 908 C ILE A 58 -0.973 0.200 -5.505 1.00 31.04 C ATOM 909 O ILE A 58 -1.630 -0.816 -5.274 1.00 62.41 O ATOM 910 CB ILE A 58 1.303 1.158 -4.972 1.00 73.10 C ATOM 911 CG1 ILE A 58 2.067 -0.149 -5.255 1.00 33.22 C ATOM 912 CG2 ILE A 58 2.084 2.051 -4.008 1.00 71.44 C ATOM 913 CD1 ILE A 58 3.481 0.061 -5.758 1.00 12.50 C ATOM 0 H ILE A 58 0.500 -0.870 -3.361 1.00 72.35 H new ATOM 0 HA ILE A 58 -0.589 1.779 -4.098 1.00 4.04 H new ATOM 0 HB ILE A 58 1.190 1.694 -5.914 1.00 73.10 H new ATOM 0 HG12 ILE A 58 2.102 -0.743 -4.342 1.00 33.22 H new ATOM 0 HG13 ILE A 58 1.512 -0.730 -5.992 1.00 33.22 H new ATOM 0 HG21 ILE A 58 3.071 2.257 -4.421 1.00 71.44 H new ATOM 0 HG22 ILE A 58 1.548 2.989 -3.866 1.00 71.44 H new ATOM 0 HG23 ILE A 58 2.191 1.545 -3.049 1.00 71.44 H new ATOM 0 HD11 ILE A 58 3.952 -0.906 -5.934 1.00 12.50 H new ATOM 0 HD12 ILE A 58 3.456 0.627 -6.689 1.00 12.50 H new ATOM 0 HD13 ILE A 58 4.054 0.614 -5.013 1.00 12.50 H new ATOM 925 N ASN A 59 -0.978 0.793 -6.705 1.00 42.33 N ATOM 926 CA ASN A 59 -1.815 0.295 -7.810 1.00 41.42 C ATOM 927 C ASN A 59 -1.074 -0.748 -8.671 1.00 63.03 C ATOM 928 O ASN A 59 0.114 -1.006 -8.473 1.00 64.51 O ATOM 929 CB ASN A 59 -2.310 1.465 -8.679 1.00 44.45 C ATOM 930 CG ASN A 59 -1.188 2.251 -9.340 1.00 73.33 C ATOM 931 OD1 ASN A 59 -0.138 1.714 -9.670 1.00 61.43 O ATOM 932 ND2 ASN A 59 -1.403 3.534 -9.552 1.00 54.42 N ATOM 0 H ASN A 59 -0.417 1.613 -6.938 1.00 42.33 H new ATOM 0 HA ASN A 59 -2.677 -0.205 -7.368 1.00 41.42 H new ATOM 0 HB2 ASN A 59 -2.974 1.077 -9.451 1.00 44.45 H new ATOM 0 HB3 ASN A 59 -2.901 2.141 -8.061 1.00 44.45 H new ATOM 0 HD21 ASN A 59 -0.686 4.104 -10.001 1.00 54.42 H new ATOM 0 HD22 ASN A 59 -2.287 3.957 -9.267 1.00 54.42 H new ATOM 939 N SER A 60 -1.783 -1.329 -9.642 1.00 52.50 N ATOM 940 CA SER A 60 -1.222 -2.392 -10.497 1.00 25.54 C ATOM 941 C SER A 60 -0.052 -1.892 -11.361 1.00 23.15 C ATOM 942 O SER A 60 0.786 -2.682 -11.802 1.00 62.32 O ATOM 943 CB SER A 60 -2.312 -2.977 -11.405 1.00 72.51 C ATOM 944 OG SER A 60 -2.844 -1.987 -12.272 1.00 74.14 O ATOM 0 H SER A 60 -2.749 -1.084 -9.860 1.00 52.50 H new ATOM 0 HA SER A 60 -0.839 -3.164 -9.830 1.00 25.54 H new ATOM 0 HB2 SER A 60 -1.898 -3.795 -11.994 1.00 72.51 H new ATOM 0 HB3 SER A 60 -3.111 -3.397 -10.794 1.00 72.51 H new ATOM 0 HG SER A 60 -3.535 -2.387 -12.840 1.00 74.14 H new ATOM 950 N GLN A 61 0.008 -0.584 -11.598 1.00 51.22 N ATOM 951 CA GLN A 61 1.068 0.006 -12.427 1.00 5.11 C ATOM 952 C GLN A 61 2.357 0.230 -11.620 1.00 1.24 C ATOM 953 O GLN A 61 3.421 0.491 -12.187 1.00 32.12 O ATOM 954 CB GLN A 61 0.589 1.336 -13.026 1.00 24.44 C ATOM 955 CG GLN A 61 -0.754 1.233 -13.744 1.00 55.33 C ATOM 956 CD GLN A 61 -0.753 0.231 -14.888 1.00 75.00 C ATOM 957 OE1 GLN A 61 0.255 0.028 -15.558 1.00 45.14 O ATOM 958 NE2 GLN A 61 -1.880 -0.417 -15.106 1.00 53.55 N ATOM 0 H GLN A 61 -0.662 0.091 -11.230 1.00 51.22 H new ATOM 0 HA GLN A 61 1.292 -0.696 -13.230 1.00 5.11 H new ATOM 0 HB2 GLN A 61 0.510 2.076 -12.230 1.00 24.44 H new ATOM 0 HB3 GLN A 61 1.340 1.701 -13.727 1.00 24.44 H new ATOM 0 HG2 GLN A 61 -1.522 0.950 -13.024 1.00 55.33 H new ATOM 0 HG3 GLN A 61 -1.027 2.215 -14.131 1.00 55.33 H new ATOM 0 HE21 GLN A 61 -2.699 -0.223 -14.530 1.00 53.55 H new ATOM 0 HE22 GLN A 61 -1.933 -1.112 -15.851 1.00 53.55 H new ATOM 967 N GLY A 62 2.252 0.122 -10.296 1.00 30.13 N ATOM 968 CA GLY A 62 3.399 0.358 -9.426 1.00 5.35 C ATOM 969 C GLY A 62 3.567 1.823 -9.057 1.00 54.35 C ATOM 970 O GLY A 62 4.681 2.294 -8.835 1.00 21.12 O ATOM 0 H GLY A 62 1.391 -0.125 -9.807 1.00 30.13 H new ATOM 0 HA2 GLY A 62 3.286 -0.231 -8.516 1.00 5.35 H new ATOM 0 HA3 GLY A 62 4.304 0.007 -9.922 1.00 5.35 H new ATOM 974 N LYS A 63 2.454 2.544 -8.986 1.00 75.24 N ATOM 975 CA LYS A 63 2.475 3.981 -8.700 1.00 43.34 C ATOM 976 C LYS A 63 1.582 4.339 -7.503 1.00 60.34 C ATOM 977 O LYS A 63 0.722 3.555 -7.092 1.00 32.24 O ATOM 978 CB LYS A 63 2.040 4.766 -9.948 1.00 34.41 C ATOM 979 CG LYS A 63 2.949 4.534 -11.155 1.00 71.21 C ATOM 980 CD LYS A 63 2.495 5.310 -12.388 1.00 63.31 C ATOM 981 CE LYS A 63 2.522 6.818 -12.158 1.00 60.25 C ATOM 982 NZ LYS A 63 2.227 7.575 -13.404 1.00 11.22 N ATOM 0 H LYS A 63 1.520 2.158 -9.123 1.00 75.24 H new ATOM 0 HA LYS A 63 3.496 4.256 -8.436 1.00 43.34 H new ATOM 0 HB2 LYS A 63 1.021 4.483 -10.210 1.00 34.41 H new ATOM 0 HB3 LYS A 63 2.025 5.830 -9.712 1.00 34.41 H new ATOM 0 HG2 LYS A 63 3.967 4.827 -10.900 1.00 71.21 H new ATOM 0 HG3 LYS A 63 2.973 3.470 -11.388 1.00 71.21 H new ATOM 0 HD2 LYS A 63 3.140 5.060 -13.231 1.00 63.31 H new ATOM 0 HD3 LYS A 63 1.485 5.003 -12.658 1.00 63.31 H new ATOM 0 HE2 LYS A 63 1.793 7.081 -11.392 1.00 60.25 H new ATOM 0 HE3 LYS A 63 3.502 7.110 -11.779 1.00 60.25 H new ATOM 0 HZ1 LYS A 63 2.255 8.595 -13.205 1.00 11.22 H new ATOM 0 HZ2 LYS A 63 2.938 7.344 -14.127 1.00 11.22 H new ATOM 0 HZ3 LYS A 63 1.282 7.316 -13.752 1.00 11.22 H new ATOM 996 N ILE A 64 1.793 5.533 -6.951 1.00 34.34 N ATOM 997 CA ILE A 64 1.051 5.992 -5.773 1.00 11.24 C ATOM 998 C ILE A 64 -0.383 6.424 -6.136 1.00 32.33 C ATOM 999 O ILE A 64 -0.595 7.198 -7.072 1.00 41.11 O ATOM 1000 CB ILE A 64 1.787 7.168 -5.077 1.00 40.01 C ATOM 1001 CG1 ILE A 64 3.217 6.748 -4.690 1.00 15.03 C ATOM 1002 CG2 ILE A 64 1.015 7.640 -3.846 1.00 31.43 C ATOM 1003 CD1 ILE A 64 4.001 7.826 -3.972 1.00 12.13 C ATOM 0 H ILE A 64 2.475 6.205 -7.302 1.00 34.34 H new ATOM 0 HA ILE A 64 0.993 5.148 -5.085 1.00 11.24 H new ATOM 0 HB ILE A 64 1.846 8.000 -5.779 1.00 40.01 H new ATOM 0 HG12 ILE A 64 3.166 5.865 -4.053 1.00 15.03 H new ATOM 0 HG13 ILE A 64 3.757 6.460 -5.592 1.00 15.03 H new ATOM 0 HG21 ILE A 64 1.550 8.465 -3.375 1.00 31.43 H new ATOM 0 HG22 ILE A 64 0.022 7.976 -4.146 1.00 31.43 H new ATOM 0 HG23 ILE A 64 0.921 6.817 -3.138 1.00 31.43 H new ATOM 0 HD11 ILE A 64 4.997 7.454 -3.733 1.00 12.13 H new ATOM 0 HD12 ILE A 64 4.086 8.703 -4.614 1.00 12.13 H new ATOM 0 HD13 ILE A 64 3.485 8.099 -3.051 1.00 12.13 H new ATOM 1015 N SER A 65 -1.362 5.916 -5.388 1.00 3.41 N ATOM 1016 CA SER A 65 -2.778 6.237 -5.629 1.00 24.41 C ATOM 1017 C SER A 65 -3.162 7.597 -5.033 1.00 32.51 C ATOM 1018 O SER A 65 -4.057 8.278 -5.540 1.00 32.42 O ATOM 1019 CB SER A 65 -3.678 5.153 -5.027 1.00 22.15 C ATOM 1020 OG SER A 65 -3.296 3.862 -5.465 1.00 73.22 O ATOM 0 H SER A 65 -1.205 5.279 -4.607 1.00 3.41 H new ATOM 0 HA SER A 65 -2.920 6.281 -6.709 1.00 24.41 H new ATOM 0 HB2 SER A 65 -3.628 5.199 -3.939 1.00 22.15 H new ATOM 0 HB3 SER A 65 -4.714 5.342 -5.307 1.00 22.15 H new ATOM 0 HG SER A 65 -3.449 3.214 -4.746 1.00 73.22 H new ATOM 1026 N LEU A 66 -2.501 7.978 -3.942 1.00 4.34 N ATOM 1027 CA LEU A 66 -2.782 9.253 -3.274 1.00 13.32 C ATOM 1028 C LEU A 66 -2.268 10.445 -4.094 1.00 62.12 C ATOM 1029 O LEU A 66 -1.295 10.332 -4.840 1.00 25.31 O ATOM 1030 CB LEU A 66 -2.166 9.267 -1.870 1.00 42.33 C ATOM 1031 CG LEU A 66 -2.751 8.234 -0.892 1.00 60.31 C ATOM 1032 CD1 LEU A 66 -2.116 8.377 0.486 1.00 12.32 C ATOM 1033 CD2 LEU A 66 -4.271 8.372 -0.799 1.00 34.51 C ATOM 0 H LEU A 66 -1.767 7.425 -3.500 1.00 4.34 H new ATOM 0 HA LEU A 66 -3.864 9.351 -3.188 1.00 13.32 H new ATOM 0 HB2 LEU A 66 -1.093 9.094 -1.959 1.00 42.33 H new ATOM 0 HB3 LEU A 66 -2.294 10.262 -1.443 1.00 42.33 H new ATOM 0 HG LEU A 66 -2.522 7.239 -1.275 1.00 60.31 H new ATOM 0 HD11 LEU A 66 -2.544 7.637 1.162 1.00 12.32 H new ATOM 0 HD12 LEU A 66 -1.040 8.219 0.409 1.00 12.32 H new ATOM 0 HD13 LEU A 66 -2.309 9.377 0.874 1.00 12.32 H new ATOM 0 HD21 LEU A 66 -4.662 7.631 -0.102 1.00 34.51 H new ATOM 0 HD22 LEU A 66 -4.525 9.372 -0.446 1.00 34.51 H new ATOM 0 HD23 LEU A 66 -4.712 8.212 -1.783 1.00 34.51 H new ATOM 1045 N LYS A 67 -2.921 11.593 -3.934 1.00 73.34 N ATOM 1046 CA LYS A 67 -2.626 12.778 -4.744 1.00 70.20 C ATOM 1047 C LYS A 67 -2.401 14.024 -3.875 1.00 11.13 C ATOM 1048 O LYS A 67 -2.919 14.120 -2.758 1.00 3.22 O ATOM 1049 CB LYS A 67 -3.775 13.016 -5.736 1.00 72.51 C ATOM 1050 CG LYS A 67 -5.159 13.033 -5.083 1.00 64.32 C ATOM 1051 CD LYS A 67 -6.283 13.123 -6.115 1.00 25.42 C ATOM 1052 CE LYS A 67 -6.280 14.454 -6.854 1.00 25.04 C ATOM 1053 NZ LYS A 67 -6.586 15.601 -5.953 1.00 62.15 N ATOM 0 H LYS A 67 -3.663 11.731 -3.247 1.00 73.34 H new ATOM 0 HA LYS A 67 -1.700 12.596 -5.290 1.00 70.20 H new ATOM 0 HB2 LYS A 67 -3.612 13.966 -6.246 1.00 72.51 H new ATOM 0 HB3 LYS A 67 -3.752 12.237 -6.498 1.00 72.51 H new ATOM 0 HG2 LYS A 67 -5.288 12.131 -4.485 1.00 64.32 H new ATOM 0 HG3 LYS A 67 -5.226 13.880 -4.400 1.00 64.32 H new ATOM 0 HD2 LYS A 67 -6.180 12.310 -6.834 1.00 25.42 H new ATOM 0 HD3 LYS A 67 -7.243 12.988 -5.617 1.00 25.42 H new ATOM 0 HE2 LYS A 67 -5.305 14.608 -7.317 1.00 25.04 H new ATOM 0 HE3 LYS A 67 -7.014 14.422 -7.660 1.00 25.04 H new ATOM 0 HZ1 LYS A 67 -6.757 16.454 -6.523 1.00 62.15 H new ATOM 0 HZ2 LYS A 67 -7.434 15.384 -5.391 1.00 62.15 H new ATOM 0 HZ3 LYS A 67 -5.781 15.766 -5.315 1.00 62.15 H new ATOM 1067 N GLY A 68 -1.622 14.973 -4.393 1.00 71.20 N ATOM 1068 CA GLY A 68 -1.348 16.210 -3.666 1.00 42.55 C ATOM 1069 C GLY A 68 -0.614 15.988 -2.346 1.00 33.54 C ATOM 1070 O GLY A 68 0.407 15.293 -2.304 1.00 5.41 O ATOM 0 H GLY A 68 -1.173 14.909 -5.307 1.00 71.20 H new ATOM 0 HA2 GLY A 68 -0.753 16.870 -4.298 1.00 42.55 H new ATOM 0 HA3 GLY A 68 -2.289 16.722 -3.468 1.00 42.55 H new ATOM 1074 N ARG A 69 -1.141 16.564 -1.264 1.00 31.53 N ATOM 1075 CA ARG A 69 -0.525 16.432 0.064 1.00 14.42 C ATOM 1076 C ARG A 69 -0.576 14.983 0.575 1.00 31.13 C ATOM 1077 O ARG A 69 0.290 14.552 1.339 1.00 41.12 O ATOM 1078 CB ARG A 69 -1.212 17.360 1.074 1.00 10.51 C ATOM 1079 CG ARG A 69 -1.011 18.845 0.790 1.00 74.01 C ATOM 1080 CD ARG A 69 -1.588 19.713 1.902 1.00 50.40 C ATOM 1081 NE ARG A 69 -1.341 21.138 1.680 1.00 22.43 N ATOM 1082 CZ ARG A 69 -1.543 22.063 2.580 1.00 53.13 C ATOM 1083 NH1 ARG A 69 -1.971 21.750 3.762 1.00 12.23 N ATOM 1084 NH2 ARG A 69 -1.308 23.305 2.304 1.00 24.24 N ATOM 0 H ARG A 69 -1.992 17.126 -1.278 1.00 31.53 H new ATOM 0 HA ARG A 69 0.521 16.720 -0.037 1.00 14.42 H new ATOM 0 HB2 ARG A 69 -2.280 17.144 1.082 1.00 10.51 H new ATOM 0 HB3 ARG A 69 -0.834 17.137 2.072 1.00 10.51 H new ATOM 0 HG2 ARG A 69 0.053 19.054 0.680 1.00 74.01 H new ATOM 0 HG3 ARG A 69 -1.486 19.102 -0.157 1.00 74.01 H new ATOM 0 HD2 ARG A 69 -2.662 19.540 1.975 1.00 50.40 H new ATOM 0 HD3 ARG A 69 -1.152 19.415 2.855 1.00 50.40 H new ATOM 0 HE ARG A 69 -0.990 21.427 0.767 1.00 22.43 H new ATOM 0 HH11 ARG A 69 -2.153 20.774 3.997 1.00 12.23 H new ATOM 0 HH12 ARG A 69 -2.126 22.479 4.458 1.00 12.23 H new ATOM 0 HH21 ARG A 69 -0.963 23.566 1.380 1.00 24.24 H new ATOM 0 HH22 ARG A 69 -1.467 24.023 3.010 1.00 24.24 H new ATOM 1098 N ASP A 70 -1.602 14.242 0.165 1.00 41.42 N ATOM 1099 CA ASP A 70 -1.728 12.832 0.541 1.00 74.21 C ATOM 1100 C ASP A 70 -0.647 11.976 -0.138 1.00 33.10 C ATOM 1101 O ASP A 70 -0.191 10.974 0.418 1.00 1.43 O ATOM 1102 CB ASP A 70 -3.128 12.326 0.199 1.00 33.45 C ATOM 1103 CG ASP A 70 -4.188 13.029 1.025 1.00 14.53 C ATOM 1104 OD1 ASP A 70 -4.694 14.082 0.587 1.00 51.14 O ATOM 1105 OD2 ASP A 70 -4.502 12.542 2.132 1.00 40.55 O ATOM 0 H ASP A 70 -2.357 14.590 -0.426 1.00 41.42 H new ATOM 0 HA ASP A 70 -1.580 12.745 1.617 1.00 74.21 H new ATOM 0 HB2 ASP A 70 -3.325 12.486 -0.861 1.00 33.45 H new ATOM 0 HB3 ASP A 70 -3.181 11.252 0.375 1.00 33.45 H new ATOM 1110 N LEU A 71 -0.229 12.385 -1.337 1.00 12.44 N ATOM 1111 CA LEU A 71 0.888 11.733 -2.029 1.00 0.21 C ATOM 1112 C LEU A 71 2.166 11.865 -1.181 1.00 2.52 C ATOM 1113 O LEU A 71 2.933 10.910 -1.035 1.00 24.31 O ATOM 1114 CB LEU A 71 1.073 12.362 -3.426 1.00 11.43 C ATOM 1115 CG LEU A 71 1.988 11.603 -4.417 1.00 35.53 C ATOM 1116 CD1 LEU A 71 1.767 12.104 -5.841 1.00 34.03 C ATOM 1117 CD2 LEU A 71 3.466 11.738 -4.044 1.00 44.35 C ATOM 0 H LEU A 71 -0.645 13.163 -1.849 1.00 12.44 H new ATOM 0 HA LEU A 71 0.675 10.672 -2.162 1.00 0.21 H new ATOM 0 HB2 LEU A 71 0.090 12.467 -3.884 1.00 11.43 H new ATOM 0 HB3 LEU A 71 1.473 13.367 -3.296 1.00 11.43 H new ATOM 0 HG LEU A 71 1.721 10.548 -4.360 1.00 35.53 H new ATOM 0 HD11 LEU A 71 2.419 11.559 -6.524 1.00 34.03 H new ATOM 0 HD12 LEU A 71 0.727 11.943 -6.126 1.00 34.03 H new ATOM 0 HD13 LEU A 71 1.997 13.168 -5.892 1.00 34.03 H new ATOM 0 HD21 LEU A 71 4.074 11.191 -4.764 1.00 44.35 H new ATOM 0 HD22 LEU A 71 3.749 12.790 -4.055 1.00 44.35 H new ATOM 0 HD23 LEU A 71 3.628 11.329 -3.047 1.00 44.35 H new ATOM 1129 N ASP A 72 2.368 13.055 -0.608 1.00 63.45 N ATOM 1130 CA ASP A 72 3.505 13.308 0.282 1.00 31.42 C ATOM 1131 C ASP A 72 3.482 12.362 1.496 1.00 10.30 C ATOM 1132 O ASP A 72 4.511 11.812 1.879 1.00 4.11 O ATOM 1133 CB ASP A 72 3.500 14.767 0.758 1.00 74.40 C ATOM 1134 CG ASP A 72 3.499 15.758 -0.393 1.00 22.55 C ATOM 1135 OD1 ASP A 72 4.282 15.569 -1.345 1.00 51.34 O ATOM 1136 OD2 ASP A 72 2.710 16.725 -0.355 1.00 0.23 O ATOM 0 H ASP A 72 1.757 13.860 -0.745 1.00 63.45 H new ATOM 0 HA ASP A 72 4.418 13.120 -0.283 1.00 31.42 H new ATOM 0 HB2 ASP A 72 2.622 14.939 1.381 1.00 74.40 H new ATOM 0 HB3 ASP A 72 4.375 14.944 1.384 1.00 74.40 H new ATOM 1141 N ARG A 73 2.295 12.177 2.085 1.00 42.12 N ATOM 1142 CA ARG A 73 2.108 11.244 3.211 1.00 33.35 C ATOM 1143 C ARG A 73 2.692 9.858 2.892 1.00 32.22 C ATOM 1144 O ARG A 73 3.546 9.338 3.618 1.00 62.22 O ATOM 1145 CB ARG A 73 0.613 11.093 3.544 1.00 60.14 C ATOM 1146 CG ARG A 73 -0.029 12.337 4.146 1.00 5.10 C ATOM 1147 CD ARG A 73 -1.549 12.208 4.236 1.00 72.04 C ATOM 1148 NE ARG A 73 -1.969 11.100 5.093 1.00 74.13 N ATOM 1149 CZ ARG A 73 -3.176 10.598 5.103 1.00 34.40 C ATOM 1150 NH1 ARG A 73 -4.083 11.031 4.287 1.00 10.11 N ATOM 1151 NH2 ARG A 73 -3.476 9.644 5.925 1.00 43.44 N ATOM 0 H ARG A 73 1.444 12.662 1.802 1.00 42.12 H new ATOM 0 HA ARG A 73 2.636 11.661 4.069 1.00 33.35 H new ATOM 0 HB2 ARG A 73 0.076 10.827 2.634 1.00 60.14 H new ATOM 0 HB3 ARG A 73 0.491 10.263 4.240 1.00 60.14 H new ATOM 0 HG2 ARG A 73 0.380 12.511 5.141 1.00 5.10 H new ATOM 0 HG3 ARG A 73 0.226 13.206 3.540 1.00 5.10 H new ATOM 0 HD2 ARG A 73 -1.967 13.138 4.620 1.00 72.04 H new ATOM 0 HD3 ARG A 73 -1.958 12.064 3.236 1.00 72.04 H new ATOM 0 HE ARG A 73 -1.277 10.693 5.722 1.00 74.13 H new ATOM 0 HH11 ARG A 73 -3.860 11.774 3.624 1.00 10.11 H new ATOM 0 HH12 ARG A 73 -5.020 10.629 4.307 1.00 10.11 H new ATOM 0 HH21 ARG A 73 -2.770 9.283 6.566 1.00 43.44 H new ATOM 0 HH22 ARG A 73 -4.418 9.254 5.931 1.00 43.44 H new ATOM 1165 N GLN A 74 2.231 9.269 1.795 1.00 30.41 N ATOM 1166 CA GLN A 74 2.670 7.928 1.406 1.00 74.13 C ATOM 1167 C GLN A 74 4.164 7.920 1.039 1.00 12.00 C ATOM 1168 O GLN A 74 4.907 7.026 1.443 1.00 52.24 O ATOM 1169 CB GLN A 74 1.822 7.408 0.234 1.00 43.24 C ATOM 1170 CG GLN A 74 1.945 5.901 0.019 1.00 53.11 C ATOM 1171 CD GLN A 74 1.031 5.367 -1.073 1.00 45.30 C ATOM 1172 OE1 GLN A 74 -0.020 5.928 -1.361 1.00 61.42 O ATOM 1173 NE2 GLN A 74 1.405 4.252 -1.665 1.00 41.01 N ATOM 0 H GLN A 74 1.556 9.694 1.159 1.00 30.41 H new ATOM 0 HA GLN A 74 2.531 7.264 2.259 1.00 74.13 H new ATOM 0 HB2 GLN A 74 0.776 7.658 0.413 1.00 43.24 H new ATOM 0 HB3 GLN A 74 2.122 7.923 -0.678 1.00 43.24 H new ATOM 0 HG2 GLN A 74 2.978 5.661 -0.233 1.00 53.11 H new ATOM 0 HG3 GLN A 74 1.718 5.389 0.954 1.00 53.11 H new ATOM 0 HE21 GLN A 74 2.285 3.807 -1.405 1.00 41.01 H new ATOM 0 HE22 GLN A 74 0.815 3.833 -2.384 1.00 41.01 H new ATOM 1182 N LYS A 75 4.598 8.940 0.297 1.00 35.24 N ATOM 1183 CA LYS A 75 5.994 9.036 -0.149 1.00 24.45 C ATOM 1184 C LYS A 75 6.974 9.126 1.031 1.00 73.14 C ATOM 1185 O LYS A 75 7.948 8.379 1.092 1.00 42.02 O ATOM 1186 CB LYS A 75 6.183 10.244 -1.078 1.00 43.34 C ATOM 1187 CG LYS A 75 7.597 10.352 -1.648 1.00 0.21 C ATOM 1188 CD LYS A 75 7.736 11.496 -2.651 1.00 73.44 C ATOM 1189 CE LYS A 75 9.109 11.495 -3.316 1.00 21.14 C ATOM 1190 NZ LYS A 75 9.251 12.597 -4.306 1.00 72.34 N ATOM 0 H LYS A 75 4.006 9.712 -0.009 1.00 35.24 H new ATOM 0 HA LYS A 75 6.217 8.120 -0.697 1.00 24.45 H new ATOM 0 HB2 LYS A 75 5.471 10.176 -1.901 1.00 43.34 H new ATOM 0 HB3 LYS A 75 5.949 11.156 -0.529 1.00 43.34 H new ATOM 0 HG2 LYS A 75 8.304 10.500 -0.832 1.00 0.21 H new ATOM 0 HG3 LYS A 75 7.863 9.413 -2.133 1.00 0.21 H new ATOM 0 HD2 LYS A 75 6.962 11.409 -3.413 1.00 73.44 H new ATOM 0 HD3 LYS A 75 7.578 12.447 -2.143 1.00 73.44 H new ATOM 0 HE2 LYS A 75 9.881 11.592 -2.553 1.00 21.14 H new ATOM 0 HE3 LYS A 75 9.270 10.538 -3.813 1.00 21.14 H new ATOM 0 HZ1 LYS A 75 10.198 12.559 -4.734 1.00 72.34 H new ATOM 0 HZ2 LYS A 75 8.531 12.491 -5.049 1.00 72.34 H new ATOM 0 HZ3 LYS A 75 9.123 13.512 -3.828 1.00 72.34 H new ATOM 1204 N GLN A 76 6.717 10.043 1.968 1.00 12.33 N ATOM 1205 CA GLN A 76 7.597 10.224 3.133 1.00 73.02 C ATOM 1206 C GLN A 76 7.721 8.924 3.947 1.00 3.42 C ATOM 1207 O GLN A 76 8.803 8.587 4.438 1.00 32.34 O ATOM 1208 CB GLN A 76 7.084 11.363 4.032 1.00 24.20 C ATOM 1209 CG GLN A 76 5.713 11.102 4.649 1.00 34.10 C ATOM 1210 CD GLN A 76 5.211 12.245 5.515 1.00 25.52 C ATOM 1211 OE1 GLN A 76 5.542 13.404 5.296 1.00 54.13 O ATOM 1212 NE2 GLN A 76 4.400 11.930 6.503 1.00 22.44 N ATOM 0 H GLN A 76 5.912 10.670 1.946 1.00 12.33 H new ATOM 0 HA GLN A 76 8.586 10.489 2.760 1.00 73.02 H new ATOM 0 HB2 GLN A 76 7.804 11.532 4.832 1.00 24.20 H new ATOM 0 HB3 GLN A 76 7.038 12.281 3.446 1.00 24.20 H new ATOM 0 HG2 GLN A 76 4.993 10.918 3.851 1.00 34.10 H new ATOM 0 HG3 GLN A 76 5.761 10.194 5.251 1.00 34.10 H new ATOM 0 HE21 GLN A 76 4.142 10.956 6.660 1.00 22.44 H new ATOM 0 HE22 GLN A 76 4.029 12.660 7.111 1.00 22.44 H new ATOM 1221 N LYS A 77 6.611 8.196 4.082 1.00 72.12 N ATOM 1222 CA LYS A 77 6.618 6.902 4.773 1.00 53.24 C ATOM 1223 C LYS A 77 7.514 5.880 4.043 1.00 11.34 C ATOM 1224 O LYS A 77 8.287 5.154 4.673 1.00 24.14 O ATOM 1225 CB LYS A 77 5.191 6.353 4.882 1.00 14.31 C ATOM 1226 CG LYS A 77 4.251 7.183 5.755 1.00 75.03 C ATOM 1227 CD LYS A 77 4.644 7.133 7.231 1.00 14.45 C ATOM 1228 CE LYS A 77 3.641 7.879 8.107 1.00 1.25 C ATOM 1229 NZ LYS A 77 4.027 7.853 9.543 1.00 1.52 N ATOM 0 H LYS A 77 5.698 8.478 3.724 1.00 72.12 H new ATOM 0 HA LYS A 77 7.024 7.060 5.772 1.00 53.24 H new ATOM 0 HB2 LYS A 77 4.766 6.282 3.881 1.00 14.31 H new ATOM 0 HB3 LYS A 77 5.236 5.340 5.282 1.00 14.31 H new ATOM 0 HG2 LYS A 77 4.259 8.218 5.413 1.00 75.03 H new ATOM 0 HG3 LYS A 77 3.231 6.816 5.639 1.00 75.03 H new ATOM 0 HD2 LYS A 77 4.709 6.094 7.555 1.00 14.45 H new ATOM 0 HD3 LYS A 77 5.635 7.570 7.359 1.00 14.45 H new ATOM 0 HE2 LYS A 77 3.565 8.913 7.771 1.00 1.25 H new ATOM 0 HE3 LYS A 77 2.654 7.432 7.989 1.00 1.25 H new ATOM 0 HZ1 LYS A 77 3.319 8.371 10.102 1.00 1.52 H new ATOM 0 HZ2 LYS A 77 4.075 6.868 9.872 1.00 1.52 H new ATOM 0 HZ3 LYS A 77 4.957 8.303 9.661 1.00 1.52 H new ATOM 1243 N LEU A 78 7.401 5.838 2.713 1.00 60.12 N ATOM 1244 CA LEU A 78 8.203 4.926 1.878 1.00 74.52 C ATOM 1245 C LEU A 78 9.700 5.287 1.917 1.00 4.03 C ATOM 1246 O LEU A 78 10.557 4.422 2.127 1.00 65.22 O ATOM 1247 CB LEU A 78 7.692 4.967 0.431 1.00 32.24 C ATOM 1248 CG LEU A 78 6.238 4.501 0.237 1.00 73.23 C ATOM 1249 CD1 LEU A 78 5.749 4.828 -1.170 1.00 31.25 C ATOM 1250 CD2 LEU A 78 6.104 3.005 0.522 1.00 13.31 C ATOM 0 H LEU A 78 6.758 6.428 2.184 1.00 60.12 H new ATOM 0 HA LEU A 78 8.094 3.919 2.280 1.00 74.52 H new ATOM 0 HB2 LEU A 78 7.782 5.988 0.059 1.00 32.24 H new ATOM 0 HB3 LEU A 78 8.341 4.345 -0.185 1.00 32.24 H new ATOM 0 HG LEU A 78 5.612 5.039 0.949 1.00 73.23 H new ATOM 0 HD11 LEU A 78 4.719 4.490 -1.285 1.00 31.25 H new ATOM 0 HD12 LEU A 78 5.797 5.905 -1.331 1.00 31.25 H new ATOM 0 HD13 LEU A 78 6.380 4.323 -1.901 1.00 31.25 H new ATOM 0 HD21 LEU A 78 5.068 2.699 0.378 1.00 13.31 H new ATOM 0 HD22 LEU A 78 6.745 2.446 -0.159 1.00 13.31 H new ATOM 0 HD23 LEU A 78 6.403 2.802 1.550 1.00 13.31 H new ATOM 1262 N GLU A 79 10.005 6.569 1.715 1.00 0.25 N ATOM 1263 CA GLU A 79 11.384 7.077 1.796 1.00 22.53 C ATOM 1264 C GLU A 79 12.034 6.719 3.144 1.00 42.21 C ATOM 1265 O GLU A 79 13.246 6.519 3.233 1.00 31.22 O ATOM 1266 CB GLU A 79 11.397 8.604 1.610 1.00 54.15 C ATOM 1267 CG GLU A 79 11.015 9.079 0.208 1.00 32.03 C ATOM 1268 CD GLU A 79 12.084 8.780 -0.839 1.00 25.30 C ATOM 1269 OE1 GLU A 79 13.259 9.157 -0.619 1.00 4.32 O ATOM 1270 OE2 GLU A 79 11.759 8.191 -1.890 1.00 3.44 O ATOM 0 H GLU A 79 9.312 7.284 1.492 1.00 0.25 H new ATOM 0 HA GLU A 79 11.960 6.605 1.000 1.00 22.53 H new ATOM 0 HB2 GLU A 79 10.711 9.050 2.330 1.00 54.15 H new ATOM 0 HB3 GLU A 79 12.394 8.977 1.846 1.00 54.15 H new ATOM 0 HG2 GLU A 79 10.081 8.601 -0.089 1.00 32.03 H new ATOM 0 HG3 GLU A 79 10.830 10.153 0.233 1.00 32.03 H new ATOM 1277 N ALA A 80 11.216 6.646 4.191 1.00 63.41 N ATOM 1278 CA ALA A 80 11.696 6.307 5.534 1.00 63.24 C ATOM 1279 C ALA A 80 12.148 4.839 5.649 1.00 1.53 C ATOM 1280 O ALA A 80 12.994 4.505 6.481 1.00 3.22 O ATOM 1281 CB ALA A 80 10.614 6.603 6.562 1.00 61.43 C ATOM 0 H ALA A 80 10.212 6.818 4.137 1.00 63.41 H new ATOM 0 HA ALA A 80 12.571 6.926 5.729 1.00 63.24 H new ATOM 0 HB1 ALA A 80 10.978 6.348 7.557 1.00 61.43 H new ATOM 0 HB2 ALA A 80 10.360 7.663 6.528 1.00 61.43 H new ATOM 0 HB3 ALA A 80 9.727 6.010 6.338 1.00 61.43 H new ATOM 1287 N GLU A 81 11.585 3.961 4.817 1.00 23.04 N ATOM 1288 CA GLU A 81 11.892 2.524 4.897 1.00 74.14 C ATOM 1289 C GLU A 81 12.872 2.072 3.802 1.00 12.51 C ATOM 1290 O GLU A 81 13.117 0.875 3.634 1.00 53.33 O ATOM 1291 CB GLU A 81 10.600 1.700 4.830 1.00 42.11 C ATOM 1292 CG GLU A 81 9.538 2.159 5.826 1.00 13.42 C ATOM 1293 CD GLU A 81 8.508 1.088 6.147 1.00 61.53 C ATOM 1294 OE1 GLU A 81 8.081 0.356 5.230 1.00 73.14 O ATOM 1295 OE2 GLU A 81 8.118 0.975 7.330 1.00 32.21 O ATOM 0 H GLU A 81 10.920 4.212 4.085 1.00 23.04 H new ATOM 0 HA GLU A 81 12.381 2.352 5.856 1.00 74.14 H new ATOM 0 HB2 GLU A 81 10.192 1.759 3.821 1.00 42.11 H new ATOM 0 HB3 GLU A 81 10.835 0.652 5.018 1.00 42.11 H new ATOM 0 HG2 GLU A 81 10.027 2.471 6.749 1.00 13.42 H new ATOM 0 HG3 GLU A 81 9.028 3.034 5.424 1.00 13.42 H new ATOM 1302 N GLY A 82 13.442 3.027 3.074 1.00 11.20 N ATOM 1303 CA GLY A 82 14.439 2.702 2.057 1.00 60.40 C ATOM 1304 C GLY A 82 13.835 2.323 0.706 1.00 11.03 C ATOM 1305 O GLY A 82 14.291 1.382 0.057 1.00 61.32 O ATOM 0 H GLY A 82 13.235 4.021 3.166 1.00 11.20 H new ATOM 0 HA2 GLY A 82 15.100 3.558 1.922 1.00 60.40 H new ATOM 0 HA3 GLY A 82 15.055 1.877 2.415 1.00 60.40 H new ATOM 1309 N ILE A 83 12.808 3.056 0.283 1.00 24.31 N ATOM 1310 CA ILE A 83 12.179 2.836 -1.028 1.00 30.50 C ATOM 1311 C ILE A 83 12.332 4.072 -1.928 1.00 60.13 C ATOM 1312 O ILE A 83 12.014 5.187 -1.516 1.00 55.31 O ATOM 1313 CB ILE A 83 10.669 2.506 -0.872 1.00 61.23 C ATOM 1314 CG1 ILE A 83 10.485 1.232 -0.029 1.00 33.33 C ATOM 1315 CG2 ILE A 83 9.999 2.353 -2.239 1.00 71.21 C ATOM 1316 CD1 ILE A 83 9.037 0.851 0.207 1.00 43.34 C ATOM 0 H ILE A 83 12.389 3.811 0.827 1.00 24.31 H new ATOM 0 HA ILE A 83 12.686 1.990 -1.491 1.00 30.50 H new ATOM 0 HB ILE A 83 10.188 3.336 -0.355 1.00 61.23 H new ATOM 0 HG12 ILE A 83 10.991 0.404 -0.526 1.00 33.33 H new ATOM 0 HG13 ILE A 83 10.974 1.373 0.935 1.00 33.33 H new ATOM 0 HG21 ILE A 83 8.942 2.122 -2.103 1.00 71.21 H new ATOM 0 HG22 ILE A 83 10.098 3.283 -2.799 1.00 71.21 H new ATOM 0 HG23 ILE A 83 10.479 1.545 -2.791 1.00 71.21 H new ATOM 0 HD11 ILE A 83 8.993 -0.057 0.809 1.00 43.34 H new ATOM 0 HD12 ILE A 83 8.529 1.660 0.733 1.00 43.34 H new ATOM 0 HD13 ILE A 83 8.546 0.676 -0.750 1.00 43.34 H new ATOM 1328 N GLU A 84 12.827 3.876 -3.152 1.00 22.15 N ATOM 1329 CA GLU A 84 12.972 4.983 -4.108 1.00 70.22 C ATOM 1330 C GLU A 84 11.634 5.335 -4.763 1.00 20.52 C ATOM 1331 O GLU A 84 11.159 4.621 -5.649 1.00 11.14 O ATOM 1332 CB GLU A 84 13.995 4.649 -5.208 1.00 23.23 C ATOM 1333 CG GLU A 84 15.413 4.403 -4.708 1.00 31.23 C ATOM 1334 CD GLU A 84 15.570 3.074 -3.997 1.00 52.11 C ATOM 1335 OE1 GLU A 84 15.445 2.027 -4.662 1.00 71.04 O ATOM 1336 OE2 GLU A 84 15.823 3.066 -2.776 1.00 12.43 O ATOM 0 H GLU A 84 13.133 2.969 -3.505 1.00 22.15 H new ATOM 0 HA GLU A 84 13.329 5.841 -3.538 1.00 70.22 H new ATOM 0 HB2 GLU A 84 13.655 3.763 -5.744 1.00 23.23 H new ATOM 0 HB3 GLU A 84 14.015 5.468 -5.927 1.00 23.23 H new ATOM 0 HG2 GLU A 84 16.101 4.440 -5.552 1.00 31.23 H new ATOM 0 HG3 GLU A 84 15.697 5.207 -4.029 1.00 31.23 H new ATOM 1343 N VAL A 85 11.021 6.425 -4.321 1.00 41.34 N ATOM 1344 CA VAL A 85 9.789 6.913 -4.941 1.00 75.33 C ATOM 1345 C VAL A 85 10.098 7.910 -6.069 1.00 63.22 C ATOM 1346 O VAL A 85 10.482 9.053 -5.814 1.00 2.23 O ATOM 1347 CB VAL A 85 8.856 7.584 -3.905 1.00 54.51 C ATOM 1348 CG1 VAL A 85 7.543 8.014 -4.559 1.00 73.35 C ATOM 1349 CG2 VAL A 85 8.599 6.647 -2.726 1.00 53.42 C ATOM 0 H VAL A 85 11.353 6.989 -3.538 1.00 41.34 H new ATOM 0 HA VAL A 85 9.279 6.045 -5.358 1.00 75.33 H new ATOM 0 HB VAL A 85 9.351 8.478 -3.525 1.00 54.51 H new ATOM 0 HG11 VAL A 85 6.902 8.483 -3.813 1.00 73.35 H new ATOM 0 HG12 VAL A 85 7.751 8.725 -5.358 1.00 73.35 H new ATOM 0 HG13 VAL A 85 7.039 7.140 -4.972 1.00 73.35 H new ATOM 0 HG21 VAL A 85 7.941 7.137 -2.009 1.00 53.42 H new ATOM 0 HG22 VAL A 85 8.128 5.732 -3.085 1.00 53.42 H new ATOM 0 HG23 VAL A 85 9.545 6.403 -2.243 1.00 53.42 H new ATOM 1359 N SER A 86 9.948 7.462 -7.316 1.00 34.33 N ATOM 1360 CA SER A 86 10.160 8.328 -8.487 1.00 33.22 C ATOM 1361 C SER A 86 9.261 9.571 -8.422 1.00 41.10 C ATOM 1362 O SER A 86 8.114 9.481 -7.978 1.00 13.13 O ATOM 1363 CB SER A 86 9.887 7.551 -9.784 1.00 35.44 C ATOM 1364 OG SER A 86 10.742 6.421 -9.907 1.00 43.01 O ATOM 0 H SER A 86 9.681 6.505 -7.546 1.00 34.33 H new ATOM 0 HA SER A 86 11.200 8.654 -8.480 1.00 33.22 H new ATOM 0 HB2 SER A 86 8.847 7.225 -9.801 1.00 35.44 H new ATOM 0 HB3 SER A 86 10.029 8.210 -10.640 1.00 35.44 H new ATOM 0 HG SER A 86 10.541 5.948 -10.742 1.00 43.01 H new ATOM 1370 N GLU A 87 9.782 10.710 -8.898 1.00 13.23 N ATOM 1371 CA GLU A 87 9.125 12.029 -8.757 1.00 50.12 C ATOM 1372 C GLU A 87 7.605 12.003 -9.033 1.00 61.22 C ATOM 1373 O GLU A 87 6.821 12.593 -8.289 1.00 21.14 O ATOM 1374 CB GLU A 87 9.784 13.053 -9.696 1.00 31.20 C ATOM 1375 CG GLU A 87 9.616 12.728 -11.180 1.00 32.43 C ATOM 1376 CD GLU A 87 10.041 13.866 -12.094 1.00 61.01 C ATOM 1377 OE1 GLU A 87 9.424 14.951 -12.022 1.00 61.45 O ATOM 1378 OE2 GLU A 87 10.979 13.678 -12.896 1.00 12.55 O ATOM 0 H GLU A 87 10.673 10.749 -9.394 1.00 13.23 H new ATOM 0 HA GLU A 87 9.256 12.314 -7.713 1.00 50.12 H new ATOM 0 HB2 GLU A 87 9.360 14.038 -9.499 1.00 31.20 H new ATOM 0 HB3 GLU A 87 10.848 13.112 -9.465 1.00 31.20 H new ATOM 0 HG2 GLU A 87 10.201 11.840 -11.419 1.00 32.43 H new ATOM 0 HG3 GLU A 87 8.572 12.484 -11.376 1.00 32.43 H new ATOM 1385 N ILE A 88 7.194 11.313 -10.098 1.00 2.14 N ATOM 1386 CA ILE A 88 5.778 11.277 -10.509 1.00 65.42 C ATOM 1387 C ILE A 88 4.936 10.306 -9.654 1.00 73.30 C ATOM 1388 O ILE A 88 3.773 10.035 -9.960 1.00 50.25 O ATOM 1389 CB ILE A 88 5.637 10.935 -12.027 1.00 5.21 C ATOM 1390 CG1 ILE A 88 6.483 9.705 -12.424 1.00 25.40 C ATOM 1391 CG2 ILE A 88 6.033 12.141 -12.877 1.00 54.44 C ATOM 1392 CD1 ILE A 88 5.934 8.377 -11.948 1.00 4.22 C ATOM 0 H ILE A 88 7.817 10.770 -10.696 1.00 2.14 H new ATOM 0 HA ILE A 88 5.383 12.279 -10.340 1.00 65.42 H new ATOM 0 HB ILE A 88 4.592 10.688 -12.211 1.00 5.21 H new ATOM 0 HG12 ILE A 88 6.571 9.677 -13.510 1.00 25.40 H new ATOM 0 HG13 ILE A 88 7.490 9.830 -12.025 1.00 25.40 H new ATOM 0 HG21 ILE A 88 5.931 11.891 -13.933 1.00 54.44 H new ATOM 0 HG22 ILE A 88 5.383 12.983 -12.639 1.00 54.44 H new ATOM 0 HG23 ILE A 88 7.068 12.410 -12.666 1.00 54.44 H new ATOM 0 HD11 ILE A 88 6.594 7.573 -12.274 1.00 4.22 H new ATOM 0 HD12 ILE A 88 5.872 8.378 -10.860 1.00 4.22 H new ATOM 0 HD13 ILE A 88 4.940 8.223 -12.367 1.00 4.22 H new ATOM 1404 N GLY A 89 5.529 9.807 -8.573 1.00 4.12 N ATOM 1405 CA GLY A 89 4.845 8.868 -7.694 1.00 20.10 C ATOM 1406 C GLY A 89 4.909 7.427 -8.192 1.00 21.45 C ATOM 1407 O GLY A 89 3.877 6.783 -8.372 1.00 44.11 O ATOM 0 H GLY A 89 6.480 10.038 -8.286 1.00 4.12 H new ATOM 0 HA2 GLY A 89 5.287 8.922 -6.699 1.00 20.10 H new ATOM 0 HA3 GLY A 89 3.801 9.166 -7.595 1.00 20.10 H new ATOM 1411 N LYS A 90 6.119 6.917 -8.421 1.00 3.13 N ATOM 1412 CA LYS A 90 6.290 5.519 -8.861 1.00 44.11 C ATOM 1413 C LYS A 90 7.282 4.748 -7.977 1.00 55.44 C ATOM 1414 O LYS A 90 8.219 5.321 -7.422 1.00 24.24 O ATOM 1415 CB LYS A 90 6.762 5.448 -10.323 1.00 52.21 C ATOM 1416 CG LYS A 90 6.945 4.018 -10.831 1.00 65.31 C ATOM 1417 CD LYS A 90 7.612 3.956 -12.202 1.00 61.22 C ATOM 1418 CE LYS A 90 7.936 2.518 -12.594 1.00 40.51 C ATOM 1419 NZ LYS A 90 8.819 1.854 -11.595 1.00 34.24 N ATOM 0 H LYS A 90 6.990 7.437 -8.313 1.00 3.13 H new ATOM 0 HA LYS A 90 5.310 5.051 -8.771 1.00 44.11 H new ATOM 0 HB2 LYS A 90 6.038 5.961 -10.956 1.00 52.21 H new ATOM 0 HB3 LYS A 90 7.706 5.984 -10.419 1.00 52.21 H new ATOM 0 HG2 LYS A 90 7.546 3.457 -10.115 1.00 65.31 H new ATOM 0 HG3 LYS A 90 5.972 3.529 -10.883 1.00 65.31 H new ATOM 0 HD2 LYS A 90 6.955 4.400 -12.949 1.00 61.22 H new ATOM 0 HD3 LYS A 90 8.527 4.548 -12.191 1.00 61.22 H new ATOM 0 HE2 LYS A 90 7.010 1.952 -12.693 1.00 40.51 H new ATOM 0 HE3 LYS A 90 8.421 2.509 -13.570 1.00 40.51 H new ATOM 0 HZ1 LYS A 90 9.246 1.006 -12.019 1.00 34.24 H new ATOM 0 HZ2 LYS A 90 9.570 2.512 -11.304 1.00 34.24 H new ATOM 0 HZ3 LYS A 90 8.258 1.580 -10.763 1.00 34.24 H new ATOM 1433 N ILE A 91 7.061 3.439 -7.867 1.00 63.31 N ATOM 1434 CA ILE A 91 7.949 2.539 -7.124 1.00 32.12 C ATOM 1435 C ILE A 91 8.431 1.391 -8.037 1.00 2.01 C ATOM 1436 O ILE A 91 7.794 1.081 -9.048 1.00 10.11 O ATOM 1437 CB ILE A 91 7.215 1.951 -5.888 1.00 14.03 C ATOM 1438 CG1 ILE A 91 6.592 3.088 -5.053 1.00 53.10 C ATOM 1439 CG2 ILE A 91 8.168 1.106 -5.036 1.00 2.32 C ATOM 1440 CD1 ILE A 91 5.730 2.613 -3.905 1.00 50.14 C ATOM 0 H ILE A 91 6.261 2.969 -8.290 1.00 63.31 H new ATOM 0 HA ILE A 91 8.812 3.112 -6.784 1.00 32.12 H new ATOM 0 HB ILE A 91 6.416 1.298 -6.237 1.00 14.03 H new ATOM 0 HG12 ILE A 91 7.392 3.713 -4.657 1.00 53.10 H new ATOM 0 HG13 ILE A 91 5.990 3.717 -5.709 1.00 53.10 H new ATOM 0 HG21 ILE A 91 7.630 0.706 -4.177 1.00 2.32 H new ATOM 0 HG22 ILE A 91 8.559 0.283 -5.635 1.00 2.32 H new ATOM 0 HG23 ILE A 91 8.994 1.727 -4.690 1.00 2.32 H new ATOM 0 HD11 ILE A 91 5.331 3.474 -3.369 1.00 50.14 H new ATOM 0 HD12 ILE A 91 4.907 2.013 -4.292 1.00 50.14 H new ATOM 0 HD13 ILE A 91 6.331 2.009 -3.225 1.00 50.14 H new ATOM 1452 N ALA A 92 9.565 0.781 -7.702 1.00 74.24 N ATOM 1453 CA ALA A 92 10.096 -0.346 -8.478 1.00 34.31 C ATOM 1454 C ALA A 92 9.481 -1.689 -8.032 1.00 44.10 C ATOM 1455 O ALA A 92 9.868 -2.257 -7.005 1.00 34.04 O ATOM 1456 CB ALA A 92 11.615 -0.381 -8.360 1.00 65.40 C ATOM 0 H ALA A 92 10.137 1.045 -6.900 1.00 74.24 H new ATOM 0 HA ALA A 92 9.820 -0.200 -9.522 1.00 34.31 H new ATOM 0 HB1 ALA A 92 12.006 -1.219 -8.937 1.00 65.40 H new ATOM 0 HB2 ALA A 92 12.031 0.550 -8.745 1.00 65.40 H new ATOM 0 HB3 ALA A 92 11.896 -0.499 -7.313 1.00 65.40 H new ATOM 1462 N LEU A 93 8.528 -2.201 -8.821 1.00 41.30 N ATOM 1463 CA LEU A 93 7.812 -3.446 -8.480 1.00 61.15 C ATOM 1464 C LEU A 93 8.687 -4.704 -8.609 1.00 20.41 C ATOM 1465 O LEU A 93 8.265 -5.791 -8.236 1.00 63.54 O ATOM 1466 CB LEU A 93 6.549 -3.603 -9.342 1.00 61.01 C ATOM 1467 CG LEU A 93 5.388 -2.661 -8.987 1.00 31.24 C ATOM 1468 CD1 LEU A 93 4.176 -2.944 -9.869 1.00 2.12 C ATOM 1469 CD2 LEU A 93 5.016 -2.793 -7.511 1.00 13.23 C ATOM 0 H LEU A 93 8.232 -1.776 -9.700 1.00 41.30 H new ATOM 0 HA LEU A 93 7.533 -3.354 -7.430 1.00 61.15 H new ATOM 0 HB2 LEU A 93 6.819 -3.442 -10.386 1.00 61.01 H new ATOM 0 HB3 LEU A 93 6.198 -4.632 -9.259 1.00 61.01 H new ATOM 0 HG LEU A 93 5.715 -1.637 -9.168 1.00 31.24 H new ATOM 0 HD11 LEU A 93 3.365 -2.266 -9.602 1.00 2.12 H new ATOM 0 HD12 LEU A 93 4.444 -2.794 -10.915 1.00 2.12 H new ATOM 0 HD13 LEU A 93 3.851 -3.974 -9.722 1.00 2.12 H new ATOM 0 HD21 LEU A 93 4.192 -2.117 -7.282 1.00 13.23 H new ATOM 0 HD22 LEU A 93 4.713 -3.819 -7.303 1.00 13.23 H new ATOM 0 HD23 LEU A 93 5.878 -2.537 -6.894 1.00 13.23 H new ATOM 1481 N ARG A 94 9.885 -4.571 -9.155 1.00 34.54 N ATOM 1482 CA ARG A 94 10.830 -5.696 -9.197 1.00 62.03 C ATOM 1483 C ARG A 94 11.845 -5.610 -8.037 1.00 13.15 C ATOM 1484 O ARG A 94 12.587 -6.554 -7.764 1.00 41.04 O ATOM 1485 CB ARG A 94 11.568 -5.706 -10.546 1.00 14.13 C ATOM 1486 CG ARG A 94 12.546 -6.868 -10.718 1.00 72.23 C ATOM 1487 CD ARG A 94 13.438 -6.685 -11.945 1.00 54.50 C ATOM 1488 NE ARG A 94 14.194 -5.432 -11.882 1.00 34.42 N ATOM 1489 CZ ARG A 94 15.495 -5.339 -11.931 1.00 11.11 C ATOM 1490 NH1 ARG A 94 16.230 -6.392 -12.087 1.00 13.20 N ATOM 1491 NH2 ARG A 94 16.061 -4.181 -11.830 1.00 44.31 N ATOM 0 H ARG A 94 10.232 -3.708 -9.574 1.00 34.54 H new ATOM 0 HA ARG A 94 10.267 -6.623 -9.086 1.00 62.03 H new ATOM 0 HB2 ARG A 94 10.832 -5.743 -11.349 1.00 14.13 H new ATOM 0 HB3 ARG A 94 12.113 -4.768 -10.656 1.00 14.13 H new ATOM 0 HG2 ARG A 94 13.168 -6.954 -9.827 1.00 72.23 H new ATOM 0 HG3 ARG A 94 11.989 -7.801 -10.810 1.00 72.23 H new ATOM 0 HD2 ARG A 94 14.130 -7.524 -12.021 1.00 54.50 H new ATOM 0 HD3 ARG A 94 12.825 -6.695 -12.846 1.00 54.50 H new ATOM 0 HE ARG A 94 13.663 -4.566 -11.793 1.00 34.42 H new ATOM 0 HH11 ARG A 94 15.794 -7.310 -12.174 1.00 13.20 H new ATOM 0 HH12 ARG A 94 17.246 -6.304 -12.124 1.00 13.20 H new ATOM 0 HH21 ARG A 94 15.491 -3.343 -11.712 1.00 44.31 H new ATOM 0 HH22 ARG A 94 17.077 -4.105 -11.868 1.00 44.31 H new ATOM 1505 N LYS A 95 11.862 -4.469 -7.353 1.00 52.51 N ATOM 1506 CA LYS A 95 12.884 -4.179 -6.336 1.00 23.01 C ATOM 1507 C LYS A 95 12.334 -4.269 -4.898 1.00 34.22 C ATOM 1508 O LYS A 95 13.043 -4.690 -3.979 1.00 22.11 O ATOM 1509 CB LYS A 95 13.461 -2.780 -6.596 1.00 54.23 C ATOM 1510 CG LYS A 95 14.599 -2.367 -5.664 1.00 30.20 C ATOM 1511 CD LYS A 95 15.803 -3.295 -5.775 1.00 61.44 C ATOM 1512 CE LYS A 95 17.036 -2.701 -5.104 1.00 70.03 C ATOM 1513 NZ LYS A 95 16.778 -2.300 -3.694 1.00 34.22 N ATOM 0 H LYS A 95 11.178 -3.723 -7.481 1.00 52.51 H new ATOM 0 HA LYS A 95 13.664 -4.936 -6.419 1.00 23.01 H new ATOM 0 HB2 LYS A 95 13.820 -2.737 -7.624 1.00 54.23 H new ATOM 0 HB3 LYS A 95 12.657 -2.050 -6.508 1.00 54.23 H new ATOM 0 HG2 LYS A 95 14.906 -1.348 -5.898 1.00 30.20 H new ATOM 0 HG3 LYS A 95 14.240 -2.363 -4.635 1.00 30.20 H new ATOM 0 HD2 LYS A 95 15.566 -4.255 -5.316 1.00 61.44 H new ATOM 0 HD3 LYS A 95 16.018 -3.488 -6.826 1.00 61.44 H new ATOM 0 HE2 LYS A 95 17.846 -3.430 -5.129 1.00 70.03 H new ATOM 0 HE3 LYS A 95 17.371 -1.832 -5.670 1.00 70.03 H new ATOM 0 HZ1 LYS A 95 17.672 -2.013 -3.246 1.00 34.22 H new ATOM 0 HZ2 LYS A 95 16.110 -1.503 -3.676 1.00 34.22 H new ATOM 0 HZ3 LYS A 95 16.372 -3.103 -3.173 1.00 34.22 H new ATOM 1527 N TYR A 96 11.077 -3.869 -4.698 1.00 52.21 N ATOM 1528 CA TYR A 96 10.487 -3.829 -3.348 1.00 55.45 C ATOM 1529 C TYR A 96 9.159 -4.582 -3.277 1.00 13.14 C ATOM 1530 O TYR A 96 8.407 -4.434 -2.322 1.00 73.10 O ATOM 1531 CB TYR A 96 10.303 -2.374 -2.895 1.00 51.13 C ATOM 1532 CG TYR A 96 11.620 -1.638 -2.783 1.00 31.11 C ATOM 1533 CD1 TYR A 96 12.539 -1.980 -1.798 1.00 4.01 C ATOM 1534 CD2 TYR A 96 11.958 -0.630 -3.676 1.00 22.31 C ATOM 1535 CE1 TYR A 96 13.756 -1.345 -1.709 1.00 74.15 C ATOM 1536 CE2 TYR A 96 13.174 0.017 -3.588 1.00 2.40 C ATOM 1537 CZ TYR A 96 14.071 -0.348 -2.602 1.00 54.44 C ATOM 1538 OH TYR A 96 15.297 0.269 -2.520 1.00 62.10 O ATOM 0 H TYR A 96 10.448 -3.569 -5.443 1.00 52.21 H new ATOM 0 HA TYR A 96 11.179 -4.332 -2.673 1.00 55.45 H new ATOM 0 HB2 TYR A 96 9.658 -1.854 -3.603 1.00 51.13 H new ATOM 0 HB3 TYR A 96 9.796 -2.357 -1.930 1.00 51.13 H new ATOM 0 HD1 TYR A 96 12.293 -2.758 -1.090 1.00 4.01 H new ATOM 0 HD2 TYR A 96 11.260 -0.348 -4.450 1.00 22.31 H new ATOM 0 HE1 TYR A 96 14.461 -1.628 -0.941 1.00 74.15 H new ATOM 0 HE2 TYR A 96 13.423 0.803 -4.285 1.00 2.40 H new ATOM 0 HH TYR A 96 15.503 0.703 -3.374 1.00 62.10 H new ATOM 1548 N LYS A 97 8.881 -5.395 -4.284 1.00 23.50 N ATOM 1549 CA LYS A 97 7.640 -6.163 -4.331 1.00 41.31 C ATOM 1550 C LYS A 97 7.512 -7.112 -3.128 1.00 3.23 C ATOM 1551 O LYS A 97 8.472 -7.793 -2.757 1.00 32.41 O ATOM 1552 CB LYS A 97 7.594 -6.965 -5.628 1.00 32.45 C ATOM 1553 CG LYS A 97 6.279 -7.685 -5.859 1.00 23.51 C ATOM 1554 CD LYS A 97 6.268 -8.435 -7.183 1.00 63.54 C ATOM 1555 CE LYS A 97 4.958 -9.201 -7.376 1.00 15.41 C ATOM 1556 NZ LYS A 97 3.772 -8.298 -7.356 1.00 41.15 N ATOM 0 H LYS A 97 9.498 -5.542 -5.083 1.00 23.50 H new ATOM 0 HA LYS A 97 6.805 -5.464 -4.291 1.00 41.31 H new ATOM 0 HB2 LYS A 97 7.781 -6.293 -6.466 1.00 32.45 H new ATOM 0 HB3 LYS A 97 8.401 -7.697 -5.620 1.00 32.45 H new ATOM 0 HG2 LYS A 97 6.101 -8.386 -5.043 1.00 23.51 H new ATOM 0 HG3 LYS A 97 5.462 -6.963 -5.844 1.00 23.51 H new ATOM 0 HD2 LYS A 97 6.404 -7.731 -8.004 1.00 63.54 H new ATOM 0 HD3 LYS A 97 7.107 -9.130 -7.217 1.00 63.54 H new ATOM 0 HE2 LYS A 97 4.989 -9.737 -8.324 1.00 15.41 H new ATOM 0 HE3 LYS A 97 4.857 -9.949 -6.590 1.00 15.41 H new ATOM 0 HZ1 LYS A 97 3.216 -8.474 -6.495 1.00 41.15 H new ATOM 0 HZ2 LYS A 97 4.089 -7.308 -7.366 1.00 41.15 H new ATOM 0 HZ3 LYS A 97 3.182 -8.481 -8.193 1.00 41.15 H new ATOM 1570 N TRP A 98 6.329 -7.152 -2.517 1.00 53.31 N ATOM 1571 CA TRP A 98 6.076 -8.073 -1.411 1.00 22.12 C ATOM 1572 C TRP A 98 6.127 -9.533 -1.888 1.00 62.25 C ATOM 1573 O TRP A 98 5.156 -10.056 -2.436 1.00 41.32 O ATOM 1574 CB TRP A 98 4.717 -7.785 -0.748 1.00 11.15 C ATOM 1575 CG TRP A 98 4.363 -8.766 0.343 1.00 32.33 C ATOM 1576 CD1 TRP A 98 5.233 -9.461 1.137 1.00 2.15 C ATOM 1577 CD2 TRP A 98 3.048 -9.162 0.760 1.00 41.41 C ATOM 1578 NE1 TRP A 98 4.544 -10.256 2.016 1.00 43.45 N ATOM 1579 CE2 TRP A 98 3.204 -10.091 1.805 1.00 2.13 C ATOM 1580 CE3 TRP A 98 1.755 -8.820 0.353 1.00 65.15 C ATOM 1581 CZ2 TRP A 98 2.120 -10.680 2.449 1.00 61.50 C ATOM 1582 CZ3 TRP A 98 0.679 -9.408 0.993 1.00 41.30 C ATOM 1583 CH2 TRP A 98 0.869 -10.329 2.031 1.00 23.41 C ATOM 0 H TRP A 98 5.536 -6.562 -2.767 1.00 53.31 H new ATOM 0 HA TRP A 98 6.862 -7.919 -0.672 1.00 22.12 H new ATOM 0 HB2 TRP A 98 4.731 -6.778 -0.331 1.00 11.15 H new ATOM 0 HB3 TRP A 98 3.938 -7.804 -1.510 1.00 11.15 H new ATOM 0 HD1 TRP A 98 6.309 -9.393 1.080 1.00 2.15 H new ATOM 0 HE1 TRP A 98 4.963 -10.871 2.714 1.00 43.45 H new ATOM 0 HE3 TRP A 98 1.599 -8.110 -0.446 1.00 65.15 H new ATOM 0 HZ2 TRP A 98 2.263 -11.389 3.251 1.00 61.50 H new ATOM 0 HZ3 TRP A 98 -0.325 -9.153 0.687 1.00 41.30 H new ATOM 0 HH2 TRP A 98 0.008 -10.771 2.511 1.00 23.41 H new ATOM 1594 N GLN A 99 7.280 -10.168 -1.701 1.00 13.14 N ATOM 1595 CA GLN A 99 7.438 -11.596 -1.978 1.00 1.23 C ATOM 1596 C GLN A 99 7.322 -12.421 -0.686 1.00 52.42 C ATOM 1597 O GLN A 99 8.276 -12.506 0.090 1.00 11.11 O ATOM 1598 CB GLN A 99 8.793 -11.865 -2.652 1.00 50.11 C ATOM 1599 CG GLN A 99 8.892 -11.356 -4.089 1.00 22.03 C ATOM 1600 CD GLN A 99 7.965 -12.101 -5.038 1.00 44.35 C ATOM 1601 OE1 GLN A 99 6.830 -11.701 -5.267 1.00 51.33 O ATOM 1602 NE2 GLN A 99 8.442 -13.196 -5.598 1.00 24.11 N ATOM 0 H GLN A 99 8.126 -9.714 -1.356 1.00 13.14 H new ATOM 0 HA GLN A 99 6.639 -11.899 -2.655 1.00 1.23 H new ATOM 0 HB2 GLN A 99 9.580 -11.399 -2.059 1.00 50.11 H new ATOM 0 HB3 GLN A 99 8.982 -12.938 -2.645 1.00 50.11 H new ATOM 0 HG2 GLN A 99 8.651 -10.293 -4.112 1.00 22.03 H new ATOM 0 HG3 GLN A 99 9.920 -11.458 -4.437 1.00 22.03 H new ATOM 0 HE21 GLN A 99 9.391 -13.504 -5.388 1.00 24.11 H new ATOM 0 HE22 GLN A 99 7.862 -13.734 -6.241 1.00 24.11 H new ATOM 1611 N PRO A 100 6.145 -13.028 -0.424 1.00 60.25 N ATOM 1612 CA PRO A 100 5.944 -13.908 0.746 1.00 75.11 C ATOM 1613 C PRO A 100 6.756 -15.218 0.661 1.00 4.31 C ATOM 1614 O PRO A 100 6.740 -16.029 1.591 1.00 12.45 O ATOM 1615 CB PRO A 100 4.432 -14.194 0.716 1.00 43.41 C ATOM 1616 CG PRO A 100 4.036 -13.996 -0.708 1.00 4.11 C ATOM 1617 CD PRO A 100 4.912 -12.887 -1.223 1.00 40.12 C ATOM 0 HA PRO A 100 6.285 -13.440 1.669 1.00 75.11 H new ATOM 0 HB2 PRO A 100 4.214 -15.209 1.050 1.00 43.41 H new ATOM 0 HB3 PRO A 100 3.888 -13.518 1.376 1.00 43.41 H new ATOM 0 HG2 PRO A 100 4.180 -14.909 -1.285 1.00 4.11 H new ATOM 0 HG3 PRO A 100 2.982 -13.732 -0.788 1.00 4.11 H new ATOM 0 HD2 PRO A 100 5.110 -12.993 -2.290 1.00 40.12 H new ATOM 0 HD3 PRO A 100 4.450 -11.910 -1.080 1.00 40.12 H new