USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=22 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 19 LYS NZ :NH3+ -158:sc= 0.602 (180deg=-0.0586) USER MOD Set 1.2: A 99 GLN : amide:sc= 0.832 K(o=1.4,f=-10!) USER MOD Set 2.1: A 61 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Set 2.2: A 63 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000422) USER MOD Set 3.1: A 23 TYR OH : rot 30:sc= 1.05 USER MOD Set 3.2: A 65 SER OG : rot -151:sc= 1 USER MOD Single : A 3 GLN : amide:sc= -0.901 K(o=-0.9,f=-0.059) USER MOD Single : A 7 GLN : amide:sc= -0.504 X(o=-0.5,f=-0.24) USER MOD Single : A 13 HIS : no HD1:sc= -0.245 X(o=-0.25,f=-0.59) USER MOD Single : A 14 GLN : amide:sc= -0.766 X(o=-0.77,f=-0.6) USER MOD Single : A 17 LYS NZ :NH3+ -119:sc= 1.03 (180deg=-0.238) USER MOD Single : A 21 SER OG : rot 90:sc= -0.566 USER MOD Single : A 22 THR OG1 : rot -70:sc= -0.984 USER MOD Single : A 28 LYS NZ :NH3+ -103:sc= -1.16 (180deg=-3.52!) USER MOD Single : A 29 MET CE :methyl -165:sc= -2.09 (180deg=-3.47!) 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 HE2:sc= -1.97! K(o=-2!,f=-0.16) USER MOD Single : A 41 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0289) USER MOD Single : A 45 ASN : amide:sc= -2.87! K(o=-2.9!,f=-0.17) USER MOD Single : A 50 SER OG : rot 180:sc= -0.019 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -1.24! C(o=-1.2!,f=-10!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 139:sc= -1.38 (180deg=-3.76!) USER MOD Single : A 74 GLN : amide:sc= -1.42 K(o=-1.4,f=-2.9!) USER MOD Single : A 75 LYS NZ :NH3+ 177:sc= 1.22 (180deg=1.1) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 77 LYS NZ :NH3+ 179:sc= 1.23 (180deg=1.21) USER MOD Single : A 86 SER OG : rot 180:sc= -0.0543 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -169:sc= -0.0178 (180deg=-0.201) USER MOD Single : A 96 TYR OH : rot 165:sc= 0.0863 USER MOD Single : A 97 LYS NZ :NH3+ 140:sc= -0.853! (180deg=-1.13) USER MOD ----------------------------------------------------------------- ATOM 20 N ASP A 2 -16.018 -4.894 10.579 1.00 71.40 N ATOM 21 CA ASP A 2 -16.270 -5.653 9.351 1.00 5.52 C ATOM 22 C ASP A 2 -15.179 -6.701 9.067 1.00 42.14 C ATOM 23 O ASP A 2 -13.983 -6.396 9.102 1.00 13.15 O ATOM 24 CB ASP A 2 -16.383 -4.692 8.164 1.00 51.51 C ATOM 25 CG ASP A 2 -17.631 -3.831 8.237 1.00 4.02 C ATOM 26 OD1 ASP A 2 -17.651 -2.860 9.026 1.00 41.14 O ATOM 27 OD2 ASP A 2 -18.601 -4.129 7.511 1.00 24.21 O ATOM 0 HA ASP A 2 -17.207 -6.192 9.492 1.00 5.52 H new ATOM 0 HB2 ASP A 2 -15.503 -4.050 8.134 1.00 51.51 H new ATOM 0 HB3 ASP A 2 -16.392 -5.264 7.236 1.00 51.51 H new ATOM 32 N GLN A 3 -15.606 -7.931 8.765 1.00 74.55 N ATOM 33 CA GLN A 3 -14.683 -9.010 8.384 1.00 30.44 C ATOM 34 C GLN A 3 -13.838 -8.606 7.169 1.00 32.35 C ATOM 35 O GLN A 3 -12.699 -9.048 7.016 1.00 11.54 O ATOM 36 CB GLN A 3 -15.465 -10.299 8.076 1.00 62.01 C ATOM 37 CG GLN A 3 -16.173 -10.893 9.293 1.00 12.44 C ATOM 38 CD GLN A 3 -15.212 -11.424 10.349 1.00 13.20 C ATOM 39 OE1 GLN A 3 -15.492 -11.367 11.543 1.00 32.42 O ATOM 40 NE2 GLN A 3 -14.090 -11.973 9.926 1.00 51.01 N ATOM 0 H GLN A 3 -16.588 -8.207 8.777 1.00 74.55 H new ATOM 0 HA GLN A 3 -14.013 -9.193 9.224 1.00 30.44 H new ATOM 0 HB2 GLN A 3 -16.204 -10.089 7.303 1.00 62.01 H new ATOM 0 HB3 GLN A 3 -14.779 -11.041 7.668 1.00 62.01 H new ATOM 0 HG2 GLN A 3 -16.810 -10.131 9.742 1.00 12.44 H new ATOM 0 HG3 GLN A 3 -16.826 -11.702 8.966 1.00 12.44 H new ATOM 0 HE21 GLN A 3 -13.883 -12.007 8.928 1.00 51.01 H new ATOM 0 HE22 GLN A 3 -13.429 -12.364 10.597 1.00 51.01 H new ATOM 49 N PHE A 4 -14.409 -7.765 6.308 1.00 50.21 N ATOM 50 CA PHE A 4 -13.677 -7.208 5.167 1.00 43.34 C ATOM 51 C PHE A 4 -12.428 -6.452 5.640 1.00 13.34 C ATOM 52 O PHE A 4 -11.316 -6.715 5.183 1.00 21.35 O ATOM 53 CB PHE A 4 -14.591 -6.279 4.353 1.00 42.23 C ATOM 54 CG PHE A 4 -13.879 -5.544 3.240 1.00 32.43 C ATOM 55 CD1 PHE A 4 -13.385 -6.229 2.138 1.00 12.21 C ATOM 56 CD2 PHE A 4 -13.703 -4.168 3.299 1.00 51.12 C ATOM 57 CE1 PHE A 4 -12.733 -5.557 1.122 1.00 22.45 C ATOM 58 CE2 PHE A 4 -13.051 -3.493 2.285 1.00 22.12 C ATOM 59 CZ PHE A 4 -12.566 -4.189 1.196 1.00 5.52 C ATOM 0 H PHE A 4 -15.378 -7.453 6.377 1.00 50.21 H new ATOM 0 HA PHE A 4 -13.355 -8.031 4.528 1.00 43.34 H new ATOM 0 HB2 PHE A 4 -15.403 -6.867 3.926 1.00 42.23 H new ATOM 0 HB3 PHE A 4 -15.044 -5.550 5.025 1.00 42.23 H new ATOM 0 HD1 PHE A 4 -13.512 -7.300 2.074 1.00 12.21 H new ATOM 0 HD2 PHE A 4 -14.081 -3.618 4.148 1.00 51.12 H new ATOM 0 HE1 PHE A 4 -12.354 -6.102 0.270 1.00 22.45 H new ATOM 0 HE2 PHE A 4 -12.921 -2.422 2.344 1.00 22.12 H new ATOM 0 HZ PHE A 4 -12.056 -3.663 0.402 1.00 5.52 H new ATOM 69 N LEU A 5 -12.626 -5.529 6.575 1.00 13.13 N ATOM 70 CA LEU A 5 -11.531 -4.728 7.122 1.00 34.22 C ATOM 71 C LEU A 5 -10.511 -5.604 7.868 1.00 61.13 C ATOM 72 O LEU A 5 -9.307 -5.498 7.643 1.00 11.44 O ATOM 73 CB LEU A 5 -12.095 -3.653 8.060 1.00 71.22 C ATOM 74 CG LEU A 5 -13.101 -2.683 7.413 1.00 53.04 C ATOM 75 CD1 LEU A 5 -13.682 -1.728 8.453 1.00 34.23 C ATOM 76 CD2 LEU A 5 -12.445 -1.905 6.272 1.00 4.22 C ATOM 0 H LEU A 5 -13.540 -5.314 6.974 1.00 13.13 H new ATOM 0 HA LEU A 5 -11.011 -4.250 6.292 1.00 34.22 H new ATOM 0 HB2 LEU A 5 -12.580 -4.146 8.902 1.00 71.22 H new ATOM 0 HB3 LEU A 5 -11.265 -3.074 8.465 1.00 71.22 H new ATOM 0 HG LEU A 5 -13.920 -3.272 6.999 1.00 53.04 H new ATOM 0 HD11 LEU A 5 -14.390 -1.053 7.972 1.00 34.23 H new ATOM 0 HD12 LEU A 5 -14.195 -2.300 9.226 1.00 34.23 H new ATOM 0 HD13 LEU A 5 -12.877 -1.148 8.904 1.00 34.23 H new ATOM 0 HD21 LEU A 5 -13.173 -1.226 5.829 1.00 4.22 H new ATOM 0 HD22 LEU A 5 -11.603 -1.332 6.660 1.00 4.22 H new ATOM 0 HD23 LEU A 5 -12.091 -2.602 5.513 1.00 4.22 H new ATOM 88 N VAL A 6 -11.005 -6.480 8.744 1.00 64.24 N ATOM 89 CA VAL A 6 -10.137 -7.375 9.524 1.00 23.15 C ATOM 90 C VAL A 6 -9.179 -8.168 8.620 1.00 34.41 C ATOM 91 O VAL A 6 -7.969 -8.203 8.855 1.00 64.04 O ATOM 92 CB VAL A 6 -10.974 -8.371 10.369 1.00 1.34 C ATOM 93 CG1 VAL A 6 -10.070 -9.308 11.171 1.00 54.32 C ATOM 94 CG2 VAL A 6 -11.931 -7.625 11.296 1.00 15.43 C ATOM 0 H VAL A 6 -12.001 -6.592 8.934 1.00 64.24 H new ATOM 0 HA VAL A 6 -9.551 -6.739 10.188 1.00 23.15 H new ATOM 0 HB VAL A 6 -11.564 -8.977 9.682 1.00 1.34 H new ATOM 0 HG11 VAL A 6 -10.684 -9.995 11.754 1.00 54.32 H new ATOM 0 HG12 VAL A 6 -9.438 -9.876 10.489 1.00 54.32 H new ATOM 0 HG13 VAL A 6 -9.443 -8.722 11.843 1.00 54.32 H new ATOM 0 HG21 VAL A 6 -12.507 -8.344 11.879 1.00 15.43 H new ATOM 0 HG22 VAL A 6 -11.361 -6.986 11.970 1.00 15.43 H new ATOM 0 HG23 VAL A 6 -12.609 -7.012 10.702 1.00 15.43 H new ATOM 104 N GLN A 7 -9.725 -8.788 7.574 1.00 74.15 N ATOM 105 CA GLN A 7 -8.926 -9.622 6.670 1.00 40.22 C ATOM 106 C GLN A 7 -7.910 -8.805 5.854 1.00 12.35 C ATOM 107 O GLN A 7 -6.718 -9.116 5.861 1.00 25.34 O ATOM 108 CB GLN A 7 -9.840 -10.428 5.736 1.00 14.34 C ATOM 109 CG GLN A 7 -10.672 -11.484 6.462 1.00 13.10 C ATOM 110 CD GLN A 7 -9.817 -12.508 7.194 1.00 74.52 C ATOM 111 OE1 GLN A 7 -9.447 -13.539 6.639 1.00 64.12 O ATOM 112 NE2 GLN A 7 -9.491 -12.232 8.442 1.00 43.12 N ATOM 0 H GLN A 7 -10.714 -8.730 7.330 1.00 74.15 H new ATOM 0 HA GLN A 7 -8.354 -10.308 7.294 1.00 40.22 H new ATOM 0 HB2 GLN A 7 -10.510 -9.743 5.216 1.00 14.34 H new ATOM 0 HB3 GLN A 7 -9.230 -10.916 4.976 1.00 14.34 H new ATOM 0 HG2 GLN A 7 -11.332 -10.992 7.176 1.00 13.10 H new ATOM 0 HG3 GLN A 7 -11.308 -11.997 5.741 1.00 13.10 H new ATOM 0 HE21 GLN A 7 -9.815 -11.367 8.874 1.00 43.12 H new ATOM 0 HE22 GLN A 7 -8.915 -12.884 8.975 1.00 43.12 H new ATOM 121 N ILE A 8 -8.369 -7.760 5.156 1.00 32.44 N ATOM 122 CA ILE A 8 -7.469 -6.949 4.320 1.00 22.23 C ATOM 123 C ILE A 8 -6.341 -6.316 5.156 1.00 0.51 C ATOM 124 O ILE A 8 -5.183 -6.306 4.738 1.00 45.42 O ATOM 125 CB ILE A 8 -8.222 -5.845 3.527 1.00 44.24 C ATOM 126 CG1 ILE A 8 -8.902 -4.842 4.475 1.00 2.03 C ATOM 127 CG2 ILE A 8 -9.247 -6.474 2.584 1.00 23.11 C ATOM 128 CD1 ILE A 8 -9.615 -3.709 3.767 1.00 25.45 C ATOM 0 H ILE A 8 -9.343 -7.457 5.151 1.00 32.44 H new ATOM 0 HA ILE A 8 -7.031 -7.636 3.596 1.00 22.23 H new ATOM 0 HB ILE A 8 -7.490 -5.297 2.933 1.00 44.24 H new ATOM 0 HG12 ILE A 8 -9.620 -5.376 5.098 1.00 2.03 H new ATOM 0 HG13 ILE A 8 -8.150 -4.423 5.143 1.00 2.03 H new ATOM 0 HG21 ILE A 8 -9.767 -5.689 2.035 1.00 23.11 H new ATOM 0 HG22 ILE A 8 -8.738 -7.132 1.880 1.00 23.11 H new ATOM 0 HG23 ILE A 8 -9.969 -7.050 3.163 1.00 23.11 H new ATOM 0 HD11 ILE A 8 -10.068 -3.047 4.505 1.00 25.45 H new ATOM 0 HD12 ILE A 8 -8.899 -3.148 3.166 1.00 25.45 H new ATOM 0 HD13 ILE A 8 -10.392 -4.116 3.120 1.00 25.45 H new ATOM 140 N PHE A 9 -6.677 -5.815 6.346 1.00 71.42 N ATOM 141 CA PHE A 9 -5.674 -5.245 7.255 1.00 11.42 C ATOM 142 C PHE A 9 -4.672 -6.319 7.705 1.00 32.03 C ATOM 143 O PHE A 9 -3.460 -6.085 7.733 1.00 54.40 O ATOM 144 CB PHE A 9 -6.346 -4.612 8.486 1.00 61.03 C ATOM 145 CG PHE A 9 -7.231 -3.420 8.189 1.00 70.55 C ATOM 146 CD1 PHE A 9 -7.296 -2.865 6.917 1.00 10.13 C ATOM 147 CD2 PHE A 9 -7.998 -2.849 9.198 1.00 40.33 C ATOM 148 CE1 PHE A 9 -8.104 -1.773 6.660 1.00 32.22 C ATOM 149 CE2 PHE A 9 -8.806 -1.757 8.945 1.00 74.33 C ATOM 150 CZ PHE A 9 -8.859 -1.219 7.674 1.00 34.14 C ATOM 0 H PHE A 9 -7.632 -5.791 6.704 1.00 71.42 H new ATOM 0 HA PHE A 9 -5.137 -4.468 6.710 1.00 11.42 H new ATOM 0 HB2 PHE A 9 -6.944 -5.374 8.987 1.00 61.03 H new ATOM 0 HB3 PHE A 9 -5.570 -4.304 9.187 1.00 61.03 H new ATOM 0 HD1 PHE A 9 -6.708 -3.292 6.118 1.00 10.13 H new ATOM 0 HD2 PHE A 9 -7.962 -3.265 10.194 1.00 40.33 H new ATOM 0 HE1 PHE A 9 -8.144 -1.353 5.666 1.00 32.22 H new ATOM 0 HE2 PHE A 9 -9.395 -1.325 9.740 1.00 74.33 H new ATOM 0 HZ PHE A 9 -9.490 -0.366 7.474 1.00 34.14 H new ATOM 160 N ALA A 10 -5.187 -7.500 8.052 1.00 71.10 N ATOM 161 CA ALA A 10 -4.343 -8.631 8.451 1.00 74.14 C ATOM 162 C ALA A 10 -3.324 -8.982 7.357 1.00 13.52 C ATOM 163 O ALA A 10 -2.149 -9.215 7.643 1.00 62.55 O ATOM 164 CB ALA A 10 -5.207 -9.845 8.782 1.00 42.40 C ATOM 0 H ALA A 10 -6.187 -7.700 8.065 1.00 71.10 H new ATOM 0 HA ALA A 10 -3.788 -8.338 9.342 1.00 74.14 H new ATOM 0 HB1 ALA A 10 -4.568 -10.677 9.077 1.00 42.40 H new ATOM 0 HB2 ALA A 10 -5.882 -9.598 9.601 1.00 42.40 H new ATOM 0 HB3 ALA A 10 -5.789 -10.127 7.905 1.00 42.40 H new ATOM 170 N VAL A 11 -3.773 -8.994 6.103 1.00 52.13 N ATOM 171 CA VAL A 11 -2.885 -9.279 4.970 1.00 70.33 C ATOM 172 C VAL A 11 -1.770 -8.224 4.873 1.00 14.41 C ATOM 173 O VAL A 11 -0.600 -8.552 4.671 1.00 64.24 O ATOM 174 CB VAL A 11 -3.672 -9.329 3.632 1.00 43.32 C ATOM 175 CG1 VAL A 11 -2.740 -9.609 2.454 1.00 20.43 C ATOM 176 CG2 VAL A 11 -4.780 -10.377 3.699 1.00 21.14 C ATOM 0 H VAL A 11 -4.742 -8.811 5.843 1.00 52.13 H new ATOM 0 HA VAL A 11 -2.438 -10.258 5.146 1.00 70.33 H new ATOM 0 HB VAL A 11 -4.128 -8.352 3.475 1.00 43.32 H new ATOM 0 HG11 VAL A 11 -3.319 -9.638 1.531 1.00 20.43 H new ATOM 0 HG12 VAL A 11 -1.991 -8.820 2.387 1.00 20.43 H new ATOM 0 HG13 VAL A 11 -2.245 -10.569 2.602 1.00 20.43 H new ATOM 0 HG21 VAL A 11 -5.320 -10.397 2.752 1.00 21.14 H new ATOM 0 HG22 VAL A 11 -4.343 -11.357 3.888 1.00 21.14 H new ATOM 0 HG23 VAL A 11 -5.470 -10.126 4.505 1.00 21.14 H new ATOM 186 N ILE A 12 -2.143 -6.959 5.048 1.00 62.34 N ATOM 187 CA ILE A 12 -1.181 -5.850 5.034 1.00 22.55 C ATOM 188 C ILE A 12 -0.157 -5.971 6.180 1.00 32.23 C ATOM 189 O ILE A 12 1.024 -5.663 6.007 1.00 64.23 O ATOM 190 CB ILE A 12 -1.916 -4.492 5.135 1.00 22.24 C ATOM 191 CG1 ILE A 12 -2.918 -4.350 3.980 1.00 3.43 C ATOM 192 CG2 ILE A 12 -0.920 -3.333 5.131 1.00 71.04 C ATOM 193 CD1 ILE A 12 -3.881 -3.193 4.141 1.00 50.20 C ATOM 0 H ILE A 12 -3.109 -6.671 5.202 1.00 62.34 H new ATOM 0 HA ILE A 12 -0.642 -5.901 4.088 1.00 22.55 H new ATOM 0 HB ILE A 12 -2.461 -4.461 6.078 1.00 22.24 H new ATOM 0 HG12 ILE A 12 -2.367 -4.224 3.048 1.00 3.43 H new ATOM 0 HG13 ILE A 12 -3.488 -5.275 3.891 1.00 3.43 H new ATOM 0 HG21 ILE A 12 -1.460 -2.389 5.203 1.00 71.04 H new ATOM 0 HG22 ILE A 12 -0.245 -3.430 5.981 1.00 71.04 H new ATOM 0 HG23 ILE A 12 -0.344 -3.352 4.206 1.00 71.04 H new ATOM 0 HD11 ILE A 12 -4.556 -3.160 3.286 1.00 50.20 H new ATOM 0 HD12 ILE A 12 -4.460 -3.326 5.055 1.00 50.20 H new ATOM 0 HD13 ILE A 12 -3.322 -2.259 4.198 1.00 50.20 H new ATOM 205 N HIS A 13 -0.608 -6.435 7.347 1.00 14.22 N ATOM 206 CA HIS A 13 0.295 -6.671 8.488 1.00 43.54 C ATOM 207 C HIS A 13 1.328 -7.776 8.194 1.00 12.11 C ATOM 208 O HIS A 13 2.269 -7.974 8.964 1.00 61.54 O ATOM 209 CB HIS A 13 -0.499 -7.029 9.756 1.00 10.22 C ATOM 210 CG HIS A 13 -1.109 -5.847 10.448 1.00 73.01 C ATOM 211 ND1 HIS A 13 -0.325 -4.836 10.944 1.00 20.34 N ATOM 212 CD2 HIS A 13 -2.409 -5.569 10.715 1.00 44.22 C ATOM 213 CE1 HIS A 13 -1.151 -3.974 11.502 1.00 74.53 C ATOM 214 NE2 HIS A 13 -2.424 -4.374 11.389 1.00 41.32 N ATOM 0 H HIS A 13 -1.587 -6.655 7.532 1.00 14.22 H new ATOM 0 HA HIS A 13 0.836 -5.739 8.654 1.00 43.54 H new ATOM 0 HB2 HIS A 13 -1.290 -7.730 9.491 1.00 10.22 H new ATOM 0 HB3 HIS A 13 0.162 -7.544 10.453 1.00 10.22 H new ATOM 0 HD2 HIS A 13 -3.265 -6.171 10.449 1.00 44.22 H new ATOM 0 HE1 HIS A 13 -0.841 -3.061 11.989 1.00 74.53 H new ATOM 0 HE2 HIS A 13 -3.248 -3.884 11.738 1.00 41.32 H new ATOM 222 N GLN A 14 1.147 -8.499 7.089 1.00 15.24 N ATOM 223 CA GLN A 14 2.093 -9.548 6.681 1.00 73.05 C ATOM 224 C GLN A 14 3.183 -8.997 5.741 1.00 42.35 C ATOM 225 O GLN A 14 4.168 -9.681 5.451 1.00 70.52 O ATOM 226 CB GLN A 14 1.338 -10.718 6.014 1.00 52.44 C ATOM 227 CG GLN A 14 1.256 -11.982 6.872 1.00 14.24 C ATOM 228 CD GLN A 14 0.632 -11.761 8.247 1.00 41.52 C ATOM 229 OE1 GLN A 14 0.987 -12.421 9.216 1.00 22.03 O ATOM 230 NE2 GLN A 14 -0.316 -10.854 8.345 1.00 4.44 N ATOM 0 H GLN A 14 0.355 -8.381 6.457 1.00 15.24 H new ATOM 0 HA GLN A 14 2.592 -9.915 7.578 1.00 73.05 H new ATOM 0 HB2 GLN A 14 0.327 -10.391 5.771 1.00 52.44 H new ATOM 0 HB3 GLN A 14 1.829 -10.963 5.072 1.00 52.44 H new ATOM 0 HG2 GLN A 14 0.675 -12.734 6.338 1.00 14.24 H new ATOM 0 HG3 GLN A 14 2.260 -12.387 7.001 1.00 14.24 H new ATOM 0 HE21 GLN A 14 -0.595 -10.317 7.524 1.00 4.44 H new ATOM 0 HE22 GLN A 14 -0.772 -10.688 9.242 1.00 4.44 H new ATOM 239 N ILE A 15 3.010 -7.759 5.277 1.00 54.30 N ATOM 240 CA ILE A 15 4.006 -7.109 4.412 1.00 34.14 C ATOM 241 C ILE A 15 5.213 -6.618 5.238 1.00 24.11 C ATOM 242 O ILE A 15 5.068 -5.739 6.090 1.00 54.21 O ATOM 243 CB ILE A 15 3.394 -5.907 3.641 1.00 21.35 C ATOM 244 CG1 ILE A 15 2.126 -6.341 2.887 1.00 75.42 C ATOM 245 CG2 ILE A 15 4.420 -5.317 2.671 1.00 11.40 C ATOM 246 CD1 ILE A 15 1.406 -5.198 2.200 1.00 51.12 C ATOM 0 H ILE A 15 2.193 -7.184 5.483 1.00 54.30 H new ATOM 0 HA ILE A 15 4.338 -7.856 3.691 1.00 34.14 H new ATOM 0 HB ILE A 15 3.119 -5.137 4.362 1.00 21.35 H new ATOM 0 HG12 ILE A 15 2.395 -7.090 2.142 1.00 75.42 H new ATOM 0 HG13 ILE A 15 1.443 -6.820 3.588 1.00 75.42 H new ATOM 0 HG21 ILE A 15 3.976 -4.476 2.139 1.00 11.40 H new ATOM 0 HG22 ILE A 15 5.292 -4.974 3.228 1.00 11.40 H new ATOM 0 HG23 ILE A 15 4.724 -6.080 1.955 1.00 11.40 H new ATOM 0 HD11 ILE A 15 0.522 -5.580 1.689 1.00 51.12 H new ATOM 0 HD12 ILE A 15 1.105 -4.459 2.942 1.00 51.12 H new ATOM 0 HD13 ILE A 15 2.072 -4.732 1.474 1.00 51.12 H new ATOM 258 N PRO A 16 6.417 -7.192 5.016 1.00 41.22 N ATOM 259 CA PRO A 16 7.630 -6.825 5.777 1.00 21.44 C ATOM 260 C PRO A 16 8.026 -5.346 5.625 1.00 54.11 C ATOM 261 O PRO A 16 7.779 -4.721 4.585 1.00 52.35 O ATOM 262 CB PRO A 16 8.720 -7.735 5.182 1.00 4.12 C ATOM 263 CG PRO A 16 7.976 -8.853 4.531 1.00 3.41 C ATOM 264 CD PRO A 16 6.699 -8.244 4.023 1.00 72.25 C ATOM 0 HA PRO A 16 7.475 -6.956 6.848 1.00 21.44 H new ATOM 0 HB2 PRO A 16 9.334 -7.196 4.460 1.00 4.12 H new ATOM 0 HB3 PRO A 16 9.391 -8.106 5.957 1.00 4.12 H new ATOM 0 HG2 PRO A 16 8.555 -9.287 3.716 1.00 3.41 H new ATOM 0 HG3 PRO A 16 7.773 -9.655 5.241 1.00 3.41 H new ATOM 0 HD2 PRO A 16 6.819 -7.832 3.021 1.00 72.25 H new ATOM 0 HD3 PRO A 16 5.894 -8.977 3.972 1.00 72.25 H new ATOM 272 N LYS A 17 8.654 -4.794 6.662 1.00 61.11 N ATOM 273 CA LYS A 17 9.087 -3.394 6.653 1.00 54.12 C ATOM 274 C LYS A 17 10.117 -3.136 5.540 1.00 31.24 C ATOM 275 O LYS A 17 11.312 -3.388 5.708 1.00 64.14 O ATOM 276 CB LYS A 17 9.667 -3.011 8.027 1.00 61.41 C ATOM 277 CG LYS A 17 10.041 -1.535 8.157 1.00 11.21 C ATOM 278 CD LYS A 17 10.486 -1.181 9.576 1.00 54.44 C ATOM 279 CE LYS A 17 10.736 0.317 9.740 1.00 3.32 C ATOM 280 NZ LYS A 17 11.888 0.794 8.928 1.00 53.53 N ATOM 0 H LYS A 17 8.876 -5.295 7.522 1.00 61.11 H new ATOM 0 HA LYS A 17 8.217 -2.770 6.450 1.00 54.12 H new ATOM 0 HB2 LYS A 17 8.939 -3.260 8.799 1.00 61.41 H new ATOM 0 HB3 LYS A 17 10.553 -3.617 8.217 1.00 61.41 H new ATOM 0 HG2 LYS A 17 10.843 -1.301 7.456 1.00 11.21 H new ATOM 0 HG3 LYS A 17 9.186 -0.918 7.881 1.00 11.21 H new ATOM 0 HD2 LYS A 17 9.723 -1.501 10.286 1.00 54.44 H new ATOM 0 HD3 LYS A 17 11.397 -1.729 9.818 1.00 54.44 H new ATOM 0 HE2 LYS A 17 9.840 0.866 9.451 1.00 3.32 H new ATOM 0 HE3 LYS A 17 10.920 0.539 10.791 1.00 3.32 H new ATOM 0 HZ1 LYS A 17 12.617 1.187 9.557 1.00 53.53 H new ATOM 0 HZ2 LYS A 17 12.287 -0.002 8.390 1.00 53.53 H new ATOM 0 HZ3 LYS A 17 11.566 1.531 8.269 1.00 53.53 H new ATOM 294 N GLY A 18 9.634 -2.663 4.393 1.00 31.21 N ATOM 295 CA GLY A 18 10.512 -2.394 3.257 1.00 11.25 C ATOM 296 C GLY A 18 9.911 -2.820 1.920 1.00 73.21 C ATOM 297 O GLY A 18 10.350 -2.366 0.865 1.00 32.02 O ATOM 0 H GLY A 18 8.648 -2.460 4.226 1.00 31.21 H new ATOM 0 HA2 GLY A 18 10.737 -1.328 3.224 1.00 11.25 H new ATOM 0 HA3 GLY A 18 11.458 -2.915 3.406 1.00 11.25 H new ATOM 301 N LYS A 19 8.902 -3.694 1.961 1.00 25.24 N ATOM 302 CA LYS A 19 8.237 -4.175 0.740 1.00 42.24 C ATOM 303 C LYS A 19 6.864 -3.505 0.538 1.00 23.22 C ATOM 304 O LYS A 19 6.291 -2.937 1.471 1.00 4.34 O ATOM 305 CB LYS A 19 8.080 -5.706 0.791 1.00 24.35 C ATOM 306 CG LYS A 19 9.409 -6.464 0.837 1.00 51.54 C ATOM 307 CD LYS A 19 10.264 -6.195 -0.403 1.00 71.20 C ATOM 308 CE LYS A 19 11.616 -6.906 -0.335 1.00 5.43 C ATOM 309 NZ LYS A 19 11.481 -8.389 -0.280 1.00 65.41 N ATOM 0 H LYS A 19 8.525 -4.085 2.825 1.00 25.24 H new ATOM 0 HA LYS A 19 8.865 -3.905 -0.109 1.00 42.24 H new ATOM 0 HB2 LYS A 19 7.491 -5.972 1.668 1.00 24.35 H new ATOM 0 HB3 LYS A 19 7.516 -6.033 -0.083 1.00 24.35 H new ATOM 0 HG2 LYS A 19 9.962 -6.172 1.730 1.00 51.54 H new ATOM 0 HG3 LYS A 19 9.214 -7.533 0.918 1.00 51.54 H new ATOM 0 HD2 LYS A 19 9.726 -6.524 -1.292 1.00 71.20 H new ATOM 0 HD3 LYS A 19 10.424 -5.122 -0.507 1.00 71.20 H new ATOM 0 HE2 LYS A 19 12.211 -6.631 -1.206 1.00 5.43 H new ATOM 0 HE3 LYS A 19 12.160 -6.561 0.545 1.00 5.43 H new ATOM 0 HZ1 LYS A 19 12.344 -8.801 0.130 1.00 65.41 H new ATOM 0 HZ2 LYS A 19 10.663 -8.641 0.310 1.00 65.41 H new ATOM 0 HZ3 LYS A 19 11.342 -8.761 -1.241 1.00 65.41 H new ATOM 323 N VAL A 20 6.345 -3.583 -0.691 1.00 51.32 N ATOM 324 CA VAL A 20 5.048 -2.988 -1.051 1.00 53.52 C ATOM 325 C VAL A 20 4.205 -3.947 -1.915 1.00 23.05 C ATOM 326 O VAL A 20 4.739 -4.827 -2.587 1.00 24.12 O ATOM 327 CB VAL A 20 5.223 -1.649 -1.825 1.00 31.41 C ATOM 328 CG1 VAL A 20 5.903 -0.596 -0.954 1.00 13.32 C ATOM 329 CG2 VAL A 20 5.998 -1.862 -3.126 1.00 74.33 C ATOM 0 H VAL A 20 6.809 -4.059 -1.465 1.00 51.32 H new ATOM 0 HA VAL A 20 4.531 -2.796 -0.111 1.00 53.52 H new ATOM 0 HB VAL A 20 4.229 -1.283 -2.082 1.00 31.41 H new ATOM 0 HG11 VAL A 20 6.012 0.329 -1.520 1.00 13.32 H new ATOM 0 HG12 VAL A 20 5.296 -0.410 -0.068 1.00 13.32 H new ATOM 0 HG13 VAL A 20 6.887 -0.954 -0.651 1.00 13.32 H new ATOM 0 HG21 VAL A 20 6.105 -0.910 -3.646 1.00 74.33 H new ATOM 0 HG22 VAL A 20 6.985 -2.265 -2.900 1.00 74.33 H new ATOM 0 HG23 VAL A 20 5.457 -2.563 -3.761 1.00 74.33 H new ATOM 339 N SER A 21 2.887 -3.765 -1.899 1.00 13.22 N ATOM 340 CA SER A 21 1.973 -4.594 -2.708 1.00 71.22 C ATOM 341 C SER A 21 0.874 -3.738 -3.354 1.00 14.14 C ATOM 342 O SER A 21 0.833 -2.520 -3.169 1.00 23.02 O ATOM 343 CB SER A 21 1.327 -5.687 -1.845 1.00 14.42 C ATOM 344 OG SER A 21 0.503 -5.125 -0.838 1.00 34.14 O ATOM 0 H SER A 21 2.420 -3.053 -1.337 1.00 13.22 H new ATOM 0 HA SER A 21 2.564 -5.060 -3.497 1.00 71.22 H new ATOM 0 HB2 SER A 21 0.734 -6.349 -2.476 1.00 14.42 H new ATOM 0 HB3 SER A 21 2.104 -6.297 -1.384 1.00 14.42 H new ATOM 0 HG SER A 21 -0.409 -5.021 -1.182 1.00 34.14 H new ATOM 350 N THR A 22 -0.010 -4.374 -4.122 1.00 20.21 N ATOM 351 CA THR A 22 -1.131 -3.667 -4.766 1.00 74.52 C ATOM 352 C THR A 22 -2.481 -4.063 -4.148 1.00 52.35 C ATOM 353 O THR A 22 -2.640 -5.169 -3.624 1.00 73.41 O ATOM 354 CB THR A 22 -1.180 -3.947 -6.286 1.00 61.34 C ATOM 355 OG1 THR A 22 -1.432 -5.339 -6.524 1.00 22.12 O ATOM 356 CG2 THR A 22 0.131 -3.544 -6.959 1.00 11.02 C ATOM 0 H THR A 22 0.023 -5.375 -4.317 1.00 20.21 H new ATOM 0 HA THR A 22 -0.958 -2.604 -4.600 1.00 74.52 H new ATOM 0 HB THR A 22 -1.988 -3.352 -6.712 1.00 61.34 H new ATOM 0 HG1 THR A 22 -0.643 -5.862 -6.270 1.00 22.12 H new ATOM 0 HG21 THR A 22 0.070 -3.751 -8.027 1.00 11.02 H new ATOM 0 HG22 THR A 22 0.307 -2.479 -6.805 1.00 11.02 H new ATOM 0 HG23 THR A 22 0.953 -4.114 -6.525 1.00 11.02 H new ATOM 364 N TYR A 23 -3.457 -3.152 -4.223 1.00 21.21 N ATOM 365 CA TYR A 23 -4.799 -3.383 -3.655 1.00 73.30 C ATOM 366 C TYR A 23 -5.429 -4.692 -4.162 1.00 14.32 C ATOM 367 O TYR A 23 -6.077 -5.417 -3.402 1.00 40.54 O ATOM 368 CB TYR A 23 -5.726 -2.203 -3.984 1.00 44.41 C ATOM 369 CG TYR A 23 -5.232 -0.872 -3.449 1.00 23.23 C ATOM 370 CD1 TYR A 23 -5.381 -0.544 -2.107 1.00 51.44 C ATOM 371 CD2 TYR A 23 -4.608 0.050 -4.284 1.00 4.14 C ATOM 372 CE1 TYR A 23 -4.922 0.661 -1.613 1.00 41.24 C ATOM 373 CE2 TYR A 23 -4.144 1.254 -3.793 1.00 23.31 C ATOM 374 CZ TYR A 23 -4.305 1.554 -2.459 1.00 61.01 C ATOM 375 OH TYR A 23 -3.840 2.751 -1.965 1.00 21.05 O ATOM 0 H TYR A 23 -3.347 -2.243 -4.672 1.00 21.21 H new ATOM 0 HA TYR A 23 -4.679 -3.469 -2.575 1.00 73.30 H new ATOM 0 HB2 TYR A 23 -5.838 -2.131 -5.066 1.00 44.41 H new ATOM 0 HB3 TYR A 23 -6.716 -2.405 -3.574 1.00 44.41 H new ATOM 0 HD1 TYR A 23 -5.864 -1.243 -1.440 1.00 51.44 H new ATOM 0 HD2 TYR A 23 -4.485 -0.180 -5.332 1.00 4.14 H new ATOM 0 HE1 TYR A 23 -5.047 0.902 -0.568 1.00 41.24 H new ATOM 0 HE2 TYR A 23 -3.657 1.957 -4.452 1.00 23.31 H new ATOM 0 HH TYR A 23 -3.581 2.639 -1.027 1.00 21.05 H new ATOM 385 N GLY A 24 -5.240 -4.983 -5.448 1.00 31.41 N ATOM 386 CA GLY A 24 -5.762 -6.216 -6.028 1.00 12.30 C ATOM 387 C GLY A 24 -5.243 -7.472 -5.332 1.00 41.23 C ATOM 388 O GLY A 24 -5.993 -8.425 -5.102 1.00 34.12 O ATOM 0 H GLY A 24 -4.733 -4.387 -6.102 1.00 31.41 H new ATOM 0 HA2 GLY A 24 -6.851 -6.203 -5.976 1.00 12.30 H new ATOM 0 HA3 GLY A 24 -5.494 -6.256 -7.084 1.00 12.30 H new ATOM 392 N GLU A 25 -3.958 -7.473 -4.984 1.00 4.11 N ATOM 393 CA GLU A 25 -3.337 -8.612 -4.303 1.00 63.43 C ATOM 394 C GLU A 25 -3.897 -8.790 -2.886 1.00 71.40 C ATOM 395 O GLU A 25 -4.331 -9.882 -2.513 1.00 33.31 O ATOM 396 CB GLU A 25 -1.814 -8.431 -4.253 1.00 54.04 C ATOM 397 CG GLU A 25 -1.175 -8.351 -5.632 1.00 51.32 C ATOM 398 CD GLU A 25 0.334 -8.202 -5.586 1.00 12.23 C ATOM 399 OE1 GLU A 25 0.825 -7.060 -5.441 1.00 52.12 O ATOM 400 OE2 GLU A 25 1.038 -9.226 -5.722 1.00 40.31 O ATOM 0 H GLU A 25 -3.322 -6.695 -5.162 1.00 4.11 H new ATOM 0 HA GLU A 25 -3.572 -9.512 -4.871 1.00 63.43 H new ATOM 0 HB2 GLU A 25 -1.580 -7.522 -3.698 1.00 54.04 H new ATOM 0 HB3 GLU A 25 -1.373 -9.263 -3.703 1.00 54.04 H new ATOM 0 HG2 GLU A 25 -1.427 -9.250 -6.195 1.00 51.32 H new ATOM 0 HG3 GLU A 25 -1.600 -7.506 -6.174 1.00 51.32 H new ATOM 407 N ILE A 26 -3.887 -7.706 -2.110 1.00 41.41 N ATOM 408 CA ILE A 26 -4.416 -7.721 -0.740 1.00 64.33 C ATOM 409 C ILE A 26 -5.862 -8.248 -0.702 1.00 71.22 C ATOM 410 O ILE A 26 -6.179 -9.169 0.050 1.00 3.24 O ATOM 411 CB ILE A 26 -4.374 -6.302 -0.111 1.00 14.24 C ATOM 412 CG1 ILE A 26 -2.935 -5.748 -0.108 1.00 12.05 C ATOM 413 CG2 ILE A 26 -4.949 -6.318 1.307 1.00 14.41 C ATOM 414 CD1 ILE A 26 -1.956 -6.572 0.708 1.00 73.21 C ATOM 0 H ILE A 26 -3.518 -6.802 -2.405 1.00 41.41 H new ATOM 0 HA ILE A 26 -3.780 -8.391 -0.161 1.00 64.33 H new ATOM 0 HB ILE A 26 -4.992 -5.643 -0.721 1.00 14.24 H new ATOM 0 HG12 ILE A 26 -2.577 -5.691 -1.136 1.00 12.05 H new ATOM 0 HG13 ILE A 26 -2.950 -4.730 0.282 1.00 12.05 H new ATOM 0 HG21 ILE A 26 -4.909 -5.313 1.727 1.00 14.41 H new ATOM 0 HG22 ILE A 26 -5.984 -6.657 1.276 1.00 14.41 H new ATOM 0 HG23 ILE A 26 -4.364 -6.995 1.929 1.00 14.41 H new ATOM 0 HD11 ILE A 26 -0.967 -6.116 0.659 1.00 73.21 H new ATOM 0 HD12 ILE A 26 -2.288 -6.609 1.746 1.00 73.21 H new ATOM 0 HD13 ILE A 26 -1.909 -7.584 0.306 1.00 73.21 H new ATOM 426 N ALA A 27 -6.722 -7.669 -1.540 1.00 23.13 N ATOM 427 CA ALA A 27 -8.136 -8.060 -1.609 1.00 32.31 C ATOM 428 C ALA A 27 -8.305 -9.556 -1.942 1.00 15.13 C ATOM 429 O ALA A 27 -8.965 -10.297 -1.209 1.00 34.24 O ATOM 430 CB ALA A 27 -8.860 -7.197 -2.638 1.00 24.02 C ATOM 0 H ALA A 27 -6.465 -6.922 -2.186 1.00 23.13 H new ATOM 0 HA ALA A 27 -8.577 -7.899 -0.626 1.00 32.31 H new ATOM 0 HB1 ALA A 27 -9.909 -7.491 -2.686 1.00 24.02 H new ATOM 0 HB2 ALA A 27 -8.790 -6.149 -2.348 1.00 24.02 H new ATOM 0 HB3 ALA A 27 -8.400 -7.334 -3.616 1.00 24.02 H new ATOM 436 N LYS A 28 -7.690 -10.000 -3.040 1.00 34.22 N ATOM 437 CA LYS A 28 -7.814 -11.398 -3.484 1.00 70.14 C ATOM 438 C LYS A 28 -7.250 -12.387 -2.447 1.00 74.01 C ATOM 439 O LYS A 28 -7.849 -13.428 -2.182 1.00 23.45 O ATOM 440 CB LYS A 28 -7.124 -11.596 -4.844 1.00 13.55 C ATOM 441 CG LYS A 28 -7.791 -10.824 -5.982 1.00 0.42 C ATOM 442 CD LYS A 28 -7.180 -11.133 -7.353 1.00 14.01 C ATOM 443 CE LYS A 28 -5.730 -10.659 -7.490 1.00 15.40 C ATOM 444 NZ LYS A 28 -4.768 -11.539 -6.773 1.00 63.33 N ATOM 0 H LYS A 28 -7.103 -9.419 -3.638 1.00 34.22 H new ATOM 0 HA LYS A 28 -8.878 -11.609 -3.591 1.00 70.14 H new ATOM 0 HB2 LYS A 28 -6.083 -11.283 -4.764 1.00 13.55 H new ATOM 0 HB3 LYS A 28 -7.119 -12.658 -5.089 1.00 13.55 H new ATOM 0 HG2 LYS A 28 -8.854 -11.063 -6.002 1.00 0.42 H new ATOM 0 HG3 LYS A 28 -7.708 -9.755 -5.786 1.00 0.42 H new ATOM 0 HD2 LYS A 28 -7.222 -12.208 -7.528 1.00 14.01 H new ATOM 0 HD3 LYS A 28 -7.784 -10.660 -8.127 1.00 14.01 H new ATOM 0 HE2 LYS A 28 -5.463 -10.620 -8.546 1.00 15.40 H new ATOM 0 HE3 LYS A 28 -5.646 -9.644 -7.102 1.00 15.40 H new ATOM 0 HZ1 LYS A 28 -4.477 -11.084 -5.885 1.00 63.33 H new ATOM 0 HZ2 LYS A 28 -5.222 -12.451 -6.562 1.00 63.33 H new ATOM 0 HZ3 LYS A 28 -3.932 -11.699 -7.371 1.00 63.33 H new ATOM 458 N MET A 29 -6.108 -12.050 -1.848 1.00 3.40 N ATOM 459 CA MET A 29 -5.495 -12.908 -0.822 1.00 3.14 C ATOM 460 C MET A 29 -6.216 -12.792 0.532 1.00 11.23 C ATOM 461 O MET A 29 -5.950 -13.565 1.454 1.00 72.41 O ATOM 462 CB MET A 29 -4.004 -12.579 -0.667 1.00 42.24 C ATOM 463 CG MET A 29 -3.152 -13.077 -1.829 1.00 64.34 C ATOM 464 SD MET A 29 -1.393 -12.756 -1.597 1.00 61.35 S ATOM 465 CE MET A 29 -1.377 -10.966 -1.560 1.00 51.01 C ATOM 0 H MET A 29 -5.588 -11.196 -2.050 1.00 3.40 H new ATOM 0 HA MET A 29 -5.597 -13.940 -1.158 1.00 3.14 H new ATOM 0 HB2 MET A 29 -3.885 -11.499 -0.575 1.00 42.24 H new ATOM 0 HB3 MET A 29 -3.636 -13.020 0.259 1.00 42.24 H new ATOM 0 HG2 MET A 29 -3.307 -14.149 -1.954 1.00 64.34 H new ATOM 0 HG3 MET A 29 -3.485 -12.597 -2.749 1.00 64.34 H new ATOM 0 HE1 MET A 29 -0.356 -10.609 -1.690 1.00 51.01 H new ATOM 0 HE2 MET A 29 -2.002 -10.580 -2.365 1.00 51.01 H new ATOM 0 HE3 MET A 29 -1.764 -10.618 -0.602 1.00 51.01 H new ATOM 475 N ALA A 30 -7.112 -11.816 0.651 1.00 3.41 N ATOM 476 CA ALA A 30 -7.976 -11.695 1.832 1.00 51.05 C ATOM 477 C ALA A 30 -9.288 -12.470 1.634 1.00 24.23 C ATOM 478 O ALA A 30 -10.027 -12.727 2.589 1.00 21.11 O ATOM 479 CB ALA A 30 -8.268 -10.227 2.129 1.00 50.12 C ATOM 0 H ALA A 30 -7.262 -11.095 -0.054 1.00 3.41 H new ATOM 0 HA ALA A 30 -7.450 -12.127 2.683 1.00 51.05 H new ATOM 0 HB1 ALA A 30 -8.910 -10.154 3.007 1.00 50.12 H new ATOM 0 HB2 ALA A 30 -7.332 -9.701 2.319 1.00 50.12 H new ATOM 0 HB3 ALA A 30 -8.771 -9.776 1.274 1.00 50.12 H new ATOM 485 N GLY A 31 -9.561 -12.848 0.385 1.00 22.34 N ATOM 486 CA GLY A 31 -10.780 -13.582 0.059 1.00 23.51 C ATOM 487 C GLY A 31 -11.894 -12.689 -0.476 1.00 14.13 C ATOM 488 O GLY A 31 -13.064 -13.075 -0.482 1.00 5.43 O ATOM 0 H GLY A 31 -8.956 -12.658 -0.414 1.00 22.34 H new ATOM 0 HA2 GLY A 31 -10.549 -14.347 -0.682 1.00 23.51 H new ATOM 0 HA3 GLY A 31 -11.134 -14.099 0.951 1.00 23.51 H new ATOM 492 N TYR A 32 -11.533 -11.489 -0.930 1.00 75.35 N ATOM 493 CA TYR A 32 -12.508 -10.523 -1.454 1.00 34.13 C ATOM 494 C TYR A 32 -12.129 -10.055 -2.876 1.00 73.13 C ATOM 495 O TYR A 32 -11.383 -9.087 -3.047 1.00 23.45 O ATOM 496 CB TYR A 32 -12.616 -9.318 -0.507 1.00 31.23 C ATOM 497 CG TYR A 32 -13.055 -9.686 0.896 1.00 51.50 C ATOM 498 CD1 TYR A 32 -12.126 -10.072 1.858 1.00 50.43 C ATOM 499 CD2 TYR A 32 -14.397 -9.648 1.261 1.00 34.35 C ATOM 500 CE1 TYR A 32 -12.520 -10.410 3.136 1.00 3.14 C ATOM 501 CE2 TYR A 32 -14.797 -9.982 2.539 1.00 54.40 C ATOM 502 CZ TYR A 32 -13.855 -10.363 3.473 1.00 45.32 C ATOM 503 OH TYR A 32 -14.250 -10.698 4.750 1.00 3.21 O ATOM 0 H TYR A 32 -10.568 -11.158 -0.947 1.00 75.35 H new ATOM 0 HA TYR A 32 -13.477 -11.019 -1.514 1.00 34.13 H new ATOM 0 HB2 TYR A 32 -11.649 -8.818 -0.457 1.00 31.23 H new ATOM 0 HB3 TYR A 32 -13.324 -8.601 -0.924 1.00 31.23 H new ATOM 0 HD1 TYR A 32 -11.078 -10.107 1.599 1.00 50.43 H new ATOM 0 HD2 TYR A 32 -15.138 -9.352 0.533 1.00 34.35 H new ATOM 0 HE1 TYR A 32 -11.786 -10.710 3.869 1.00 3.14 H new ATOM 0 HE2 TYR A 32 -15.843 -9.945 2.807 1.00 54.40 H new ATOM 0 HH TYR A 32 -15.223 -10.612 4.825 1.00 3.21 H new ATOM 513 N PRO A 33 -12.633 -10.749 -3.919 1.00 10.03 N ATOM 514 CA PRO A 33 -12.332 -10.413 -5.326 1.00 64.04 C ATOM 515 C PRO A 33 -13.043 -9.135 -5.807 1.00 2.21 C ATOM 516 O PRO A 33 -14.219 -8.919 -5.520 1.00 51.13 O ATOM 517 CB PRO A 33 -12.850 -11.638 -6.089 1.00 21.15 C ATOM 518 CG PRO A 33 -13.957 -12.164 -5.241 1.00 25.30 C ATOM 519 CD PRO A 33 -13.539 -11.915 -3.815 1.00 21.12 C ATOM 0 HA PRO A 33 -11.272 -10.206 -5.476 1.00 64.04 H new ATOM 0 HB2 PRO A 33 -13.206 -11.366 -7.083 1.00 21.15 H new ATOM 0 HB3 PRO A 33 -12.065 -12.382 -6.224 1.00 21.15 H new ATOM 0 HG2 PRO A 33 -14.896 -11.658 -5.467 1.00 25.30 H new ATOM 0 HG3 PRO A 33 -14.116 -13.227 -5.421 1.00 25.30 H new ATOM 0 HD2 PRO A 33 -14.396 -11.701 -3.177 1.00 21.12 H new ATOM 0 HD3 PRO A 33 -13.032 -12.780 -3.388 1.00 21.12 H new ATOM 527 N GLY A 34 -12.321 -8.287 -6.540 1.00 43.31 N ATOM 528 CA GLY A 34 -12.904 -7.055 -7.069 1.00 31.44 C ATOM 529 C GLY A 34 -13.026 -5.932 -6.037 1.00 70.42 C ATOM 530 O GLY A 34 -13.386 -4.805 -6.379 1.00 5.32 O ATOM 0 H GLY A 34 -11.340 -8.429 -6.779 1.00 43.31 H new ATOM 0 HA2 GLY A 34 -12.294 -6.705 -7.902 1.00 31.44 H new ATOM 0 HA3 GLY A 34 -13.893 -7.276 -7.469 1.00 31.44 H new ATOM 534 N TYR A 35 -12.718 -6.231 -4.775 1.00 34.02 N ATOM 535 CA TYR A 35 -12.814 -5.244 -3.692 1.00 60.14 C ATOM 536 C TYR A 35 -11.559 -4.359 -3.584 1.00 23.43 C ATOM 537 O TYR A 35 -11.408 -3.609 -2.620 1.00 43.30 O ATOM 538 CB TYR A 35 -13.071 -5.949 -2.353 1.00 1.23 C ATOM 539 CG TYR A 35 -14.478 -6.505 -2.204 1.00 43.14 C ATOM 540 CD1 TYR A 35 -14.844 -7.709 -2.795 1.00 15.31 C ATOM 541 CD2 TYR A 35 -15.440 -5.825 -1.461 1.00 45.03 C ATOM 542 CE1 TYR A 35 -16.123 -8.215 -2.653 1.00 62.24 C ATOM 543 CE2 TYR A 35 -16.718 -6.324 -1.316 1.00 52.32 C ATOM 544 CZ TYR A 35 -17.054 -7.518 -1.913 1.00 3.05 C ATOM 545 OH TYR A 35 -18.329 -8.025 -1.766 1.00 45.05 O ATOM 0 H TYR A 35 -12.398 -7.152 -4.474 1.00 34.02 H new ATOM 0 HA TYR A 35 -13.652 -4.590 -3.933 1.00 60.14 H new ATOM 0 HB2 TYR A 35 -12.356 -6.764 -2.241 1.00 1.23 H new ATOM 0 HB3 TYR A 35 -12.882 -5.245 -1.542 1.00 1.23 H new ATOM 0 HD1 TYR A 35 -14.117 -8.258 -3.375 1.00 15.31 H new ATOM 0 HD2 TYR A 35 -15.180 -4.889 -0.989 1.00 45.03 H new ATOM 0 HE1 TYR A 35 -16.391 -9.151 -3.119 1.00 62.24 H new ATOM 0 HE2 TYR A 35 -17.451 -5.781 -0.737 1.00 52.32 H new ATOM 0 HH TYR A 35 -18.862 -7.414 -1.215 1.00 45.05 H new ATOM 555 N ALA A 36 -10.677 -4.424 -4.584 1.00 60.35 N ATOM 556 CA ALA A 36 -9.438 -3.629 -4.587 1.00 33.42 C ATOM 557 C ALA A 36 -9.717 -2.130 -4.371 1.00 71.00 C ATOM 558 O ALA A 36 -9.063 -1.474 -3.558 1.00 50.41 O ATOM 559 CB ALA A 36 -8.682 -3.847 -5.892 1.00 74.10 C ATOM 0 H ALA A 36 -10.794 -5.018 -5.405 1.00 60.35 H new ATOM 0 HA ALA A 36 -8.823 -3.968 -3.753 1.00 33.42 H new ATOM 0 HB1 ALA A 36 -7.767 -3.255 -5.886 1.00 74.10 H new ATOM 0 HB2 ALA A 36 -8.431 -4.903 -5.995 1.00 74.10 H new ATOM 0 HB3 ALA A 36 -9.307 -3.539 -6.730 1.00 74.10 H new ATOM 565 N ARG A 37 -10.691 -1.601 -5.110 1.00 53.52 N ATOM 566 CA ARG A 37 -11.142 -0.209 -4.943 1.00 63.41 C ATOM 567 C ARG A 37 -11.624 0.072 -3.507 1.00 21.22 C ATOM 568 O ARG A 37 -11.347 1.133 -2.945 1.00 41.12 O ATOM 569 CB ARG A 37 -12.267 0.101 -5.943 1.00 62.22 C ATOM 570 CG ARG A 37 -13.354 -0.972 -5.994 1.00 41.04 C ATOM 571 CD ARG A 37 -14.486 -0.605 -6.949 1.00 62.14 C ATOM 572 NE ARG A 37 -15.274 -1.778 -7.326 1.00 71.15 N ATOM 573 CZ ARG A 37 -16.562 -1.895 -7.173 1.00 2.34 C ATOM 574 NH1 ARG A 37 -17.260 -0.957 -6.620 1.00 32.10 N ATOM 575 NH2 ARG A 37 -17.153 -2.972 -7.572 1.00 3.44 N ATOM 0 H ARG A 37 -11.190 -2.115 -5.837 1.00 53.52 H new ATOM 0 HA ARG A 37 -10.288 0.440 -5.137 1.00 63.41 H new ATOM 0 HB2 ARG A 37 -12.723 1.056 -5.680 1.00 62.22 H new ATOM 0 HB3 ARG A 37 -11.836 0.217 -6.937 1.00 62.22 H new ATOM 0 HG2 ARG A 37 -12.912 -1.919 -6.305 1.00 41.04 H new ATOM 0 HG3 ARG A 37 -13.760 -1.123 -4.994 1.00 41.04 H new ATOM 0 HD2 ARG A 37 -15.135 0.134 -6.478 1.00 62.14 H new ATOM 0 HD3 ARG A 37 -14.072 -0.141 -7.844 1.00 62.14 H new ATOM 0 HE ARG A 37 -14.776 -2.566 -7.741 1.00 71.15 H new ATOM 0 HH11 ARG A 37 -16.803 -0.106 -6.294 1.00 32.10 H new ATOM 0 HH12 ARG A 37 -18.268 -1.069 -6.510 1.00 32.10 H new ATOM 0 HH21 ARG A 37 -16.611 -3.721 -8.003 1.00 3.44 H new ATOM 0 HH22 ARG A 37 -18.161 -3.073 -7.457 1.00 3.44 H new ATOM 589 N HIS A 38 -12.336 -0.887 -2.916 1.00 2.12 N ATOM 590 CA HIS A 38 -12.864 -0.738 -1.553 1.00 24.30 C ATOM 591 C HIS A 38 -11.729 -0.715 -0.517 1.00 73.40 C ATOM 592 O HIS A 38 -11.768 0.052 0.446 1.00 42.23 O ATOM 593 CB HIS A 38 -13.858 -1.864 -1.239 1.00 70.02 C ATOM 594 CG HIS A 38 -15.066 -1.867 -2.133 1.00 73.15 C ATOM 595 ND1 HIS A 38 -16.209 -1.182 -1.798 1.00 21.14 N ATOM 596 CD2 HIS A 38 -15.256 -2.479 -3.327 1.00 53.12 C ATOM 597 CE1 HIS A 38 -17.060 -1.390 -2.785 1.00 54.34 C ATOM 598 NE2 HIS A 38 -16.528 -2.171 -3.733 1.00 42.21 N ATOM 0 H HIS A 38 -12.563 -1.778 -3.358 1.00 2.12 H new ATOM 0 HA HIS A 38 -13.388 0.216 -1.496 1.00 24.30 H new ATOM 0 HB2 HIS A 38 -13.348 -2.823 -1.328 1.00 70.02 H new ATOM 0 HB3 HIS A 38 -14.183 -1.772 -0.203 1.00 70.02 H new ATOM 0 HD1 HIS A 38 -16.367 -0.626 -0.958 1.00 21.14 H new ATOM 0 HD2 HIS A 38 -14.542 -3.092 -3.857 1.00 53.12 H new ATOM 0 HE1 HIS A 38 -18.059 -0.982 -2.823 1.00 54.34 H new ATOM 606 N VAL A 39 -10.714 -1.555 -0.732 1.00 2.31 N ATOM 607 CA VAL A 39 -9.508 -1.547 0.107 1.00 21.32 C ATOM 608 C VAL A 39 -8.815 -0.175 0.046 1.00 52.54 C ATOM 609 O VAL A 39 -8.377 0.362 1.067 1.00 15.13 O ATOM 610 CB VAL A 39 -8.504 -2.650 -0.327 1.00 1.34 C ATOM 611 CG1 VAL A 39 -7.262 -2.646 0.566 1.00 64.30 C ATOM 612 CG2 VAL A 39 -9.173 -4.025 -0.319 1.00 31.11 C ATOM 0 H VAL A 39 -10.701 -2.250 -1.479 1.00 2.31 H new ATOM 0 HA VAL A 39 -9.825 -1.750 1.130 1.00 21.32 H new ATOM 0 HB VAL A 39 -8.185 -2.431 -1.346 1.00 1.34 H new ATOM 0 HG11 VAL A 39 -6.577 -3.428 0.239 1.00 64.30 H new ATOM 0 HG12 VAL A 39 -6.767 -1.677 0.496 1.00 64.30 H new ATOM 0 HG13 VAL A 39 -7.556 -2.830 1.599 1.00 64.30 H new ATOM 0 HG21 VAL A 39 -8.452 -4.782 -0.626 1.00 31.11 H new ATOM 0 HG22 VAL A 39 -9.530 -4.250 0.686 1.00 31.11 H new ATOM 0 HG23 VAL A 39 -10.015 -4.024 -1.011 1.00 31.11 H new ATOM 622 N GLY A 40 -8.733 0.388 -1.162 1.00 33.31 N ATOM 623 CA GLY A 40 -8.175 1.726 -1.339 1.00 43.10 C ATOM 624 C GLY A 40 -8.931 2.789 -0.548 1.00 54.51 C ATOM 625 O GLY A 40 -8.325 3.680 0.051 1.00 35.34 O ATOM 0 H GLY A 40 -9.044 -0.060 -2.024 1.00 33.31 H new ATOM 0 HA2 GLY A 40 -7.130 1.723 -1.029 1.00 43.10 H new ATOM 0 HA3 GLY A 40 -8.193 1.985 -2.398 1.00 43.10 H new ATOM 629 N LYS A 41 -10.259 2.691 -0.550 1.00 44.12 N ATOM 630 CA LYS A 41 -11.106 3.599 0.231 1.00 1.14 C ATOM 631 C LYS A 41 -10.813 3.472 1.736 1.00 4.22 C ATOM 632 O LYS A 41 -10.634 4.473 2.431 1.00 64.34 O ATOM 633 CB LYS A 41 -12.588 3.302 -0.041 1.00 33.52 C ATOM 634 CG LYS A 41 -13.012 3.537 -1.489 1.00 3.02 C ATOM 635 CD LYS A 41 -14.458 3.106 -1.738 1.00 52.32 C ATOM 636 CE LYS A 41 -15.436 3.810 -0.801 1.00 43.13 C ATOM 637 NZ LYS A 41 -15.412 5.289 -0.973 1.00 64.51 N ATOM 0 H LYS A 41 -10.775 1.992 -1.084 1.00 44.12 H new ATOM 0 HA LYS A 41 -10.881 4.620 -0.076 1.00 1.14 H new ATOM 0 HB2 LYS A 41 -12.795 2.265 0.224 1.00 33.52 H new ATOM 0 HB3 LYS A 41 -13.199 3.926 0.612 1.00 33.52 H new ATOM 0 HG2 LYS A 41 -12.901 4.594 -1.733 1.00 3.02 H new ATOM 0 HG3 LYS A 41 -12.349 2.985 -2.155 1.00 3.02 H new ATOM 0 HD2 LYS A 41 -14.727 3.322 -2.772 1.00 52.32 H new ATOM 0 HD3 LYS A 41 -14.542 2.027 -1.606 1.00 52.32 H new ATOM 0 HE2 LYS A 41 -16.445 3.440 -0.986 1.00 43.13 H new ATOM 0 HE3 LYS A 41 -15.190 3.562 0.232 1.00 43.13 H new ATOM 0 HZ1 LYS A 41 -16.149 5.720 -0.379 1.00 64.51 H new ATOM 0 HZ2 LYS A 41 -14.481 5.656 -0.690 1.00 64.51 H new ATOM 0 HZ3 LYS A 41 -15.589 5.525 -1.970 1.00 64.51 H new ATOM 651 N ALA A 42 -10.751 2.233 2.224 1.00 45.43 N ATOM 652 CA ALA A 42 -10.464 1.960 3.637 1.00 25.35 C ATOM 653 C ALA A 42 -9.119 2.568 4.073 1.00 33.31 C ATOM 654 O ALA A 42 -9.052 3.338 5.034 1.00 24.40 O ATOM 655 CB ALA A 42 -10.474 0.456 3.888 1.00 44.54 C ATOM 0 H ALA A 42 -10.896 1.396 1.659 1.00 45.43 H new ATOM 0 HA ALA A 42 -11.244 2.431 4.235 1.00 25.35 H new ATOM 0 HB1 ALA A 42 -10.260 0.261 4.939 1.00 44.54 H new ATOM 0 HB2 ALA A 42 -11.454 0.052 3.636 1.00 44.54 H new ATOM 0 HB3 ALA A 42 -9.715 -0.021 3.269 1.00 44.54 H new ATOM 661 N LEU A 43 -8.051 2.230 3.349 1.00 60.20 N ATOM 662 CA LEU A 43 -6.711 2.754 3.650 1.00 3.54 C ATOM 663 C LEU A 43 -6.649 4.279 3.466 1.00 72.00 C ATOM 664 O LEU A 43 -5.931 4.973 4.186 1.00 4.55 O ATOM 665 CB LEU A 43 -5.657 2.071 2.765 1.00 74.11 C ATOM 666 CG LEU A 43 -5.580 0.539 2.900 1.00 21.22 C ATOM 667 CD1 LEU A 43 -4.438 -0.022 2.058 1.00 43.22 C ATOM 668 CD2 LEU A 43 -5.427 0.131 4.363 1.00 4.14 C ATOM 0 H LEU A 43 -8.084 1.597 2.550 1.00 60.20 H new ATOM 0 HA LEU A 43 -6.496 2.532 4.695 1.00 3.54 H new ATOM 0 HB2 LEU A 43 -5.865 2.318 1.724 1.00 74.11 H new ATOM 0 HB3 LEU A 43 -4.679 2.490 3.003 1.00 74.11 H new ATOM 0 HG LEU A 43 -6.514 0.118 2.527 1.00 21.22 H new ATOM 0 HD11 LEU A 43 -4.403 -1.106 2.169 1.00 43.22 H new ATOM 0 HD12 LEU A 43 -4.600 0.231 1.010 1.00 43.22 H new ATOM 0 HD13 LEU A 43 -3.494 0.408 2.393 1.00 43.22 H new ATOM 0 HD21 LEU A 43 -5.375 -0.955 4.434 1.00 4.14 H new ATOM 0 HD22 LEU A 43 -4.513 0.566 4.768 1.00 4.14 H new ATOM 0 HD23 LEU A 43 -6.284 0.491 4.933 1.00 4.14 H new ATOM 680 N GLY A 44 -7.424 4.795 2.511 1.00 32.03 N ATOM 681 CA GLY A 44 -7.466 6.233 2.258 1.00 23.43 C ATOM 682 C GLY A 44 -8.085 7.036 3.403 1.00 73.43 C ATOM 683 O GLY A 44 -7.973 8.261 3.437 1.00 43.12 O ATOM 0 H GLY A 44 -8.028 4.241 1.904 1.00 32.03 H new ATOM 0 HA2 GLY A 44 -6.453 6.592 2.079 1.00 23.43 H new ATOM 0 HA3 GLY A 44 -8.035 6.417 1.347 1.00 23.43 H new ATOM 687 N ASN A 45 -8.757 6.352 4.331 1.00 32.34 N ATOM 688 CA ASN A 45 -9.342 7.010 5.509 1.00 51.42 C ATOM 689 C ASN A 45 -8.388 6.977 6.721 1.00 63.14 C ATOM 690 O ASN A 45 -8.685 7.557 7.768 1.00 3.40 O ATOM 691 CB ASN A 45 -10.680 6.350 5.889 1.00 33.14 C ATOM 692 CG ASN A 45 -11.808 6.639 4.905 1.00 53.43 C ATOM 693 OD1 ASN A 45 -12.968 6.743 5.296 1.00 20.13 O ATOM 694 ND2 ASN A 45 -11.495 6.751 3.630 1.00 0.33 N ATOM 0 H ASN A 45 -8.911 5.344 4.293 1.00 32.34 H new ATOM 0 HA ASN A 45 -9.513 8.052 5.240 1.00 51.42 H new ATOM 0 HB2 ASN A 45 -10.537 5.272 5.957 1.00 33.14 H new ATOM 0 HB3 ASN A 45 -10.977 6.695 6.879 1.00 33.14 H new ATOM 0 HD21 ASN A 45 -12.224 6.929 2.939 1.00 0.33 H new ATOM 0 HD22 ASN A 45 -10.523 6.660 3.334 1.00 0.33 H new ATOM 701 N LEU A 46 -7.242 6.309 6.576 1.00 53.22 N ATOM 702 CA LEU A 46 -6.294 6.139 7.687 1.00 23.25 C ATOM 703 C LEU A 46 -5.322 7.327 7.820 1.00 31.01 C ATOM 704 O LEU A 46 -4.877 7.897 6.820 1.00 44.34 O ATOM 705 CB LEU A 46 -5.494 4.840 7.501 1.00 41.43 C ATOM 706 CG LEU A 46 -6.320 3.547 7.506 1.00 14.42 C ATOM 707 CD1 LEU A 46 -5.420 2.336 7.287 1.00 71.40 C ATOM 708 CD2 LEU A 46 -7.100 3.409 8.812 1.00 1.21 C ATOM 0 H LEU A 46 -6.945 5.876 5.702 1.00 53.22 H new ATOM 0 HA LEU A 46 -6.882 6.091 8.604 1.00 23.25 H new ATOM 0 HB2 LEU A 46 -4.952 4.900 6.557 1.00 41.43 H new ATOM 0 HB3 LEU A 46 -4.748 4.777 8.294 1.00 41.43 H new ATOM 0 HG LEU A 46 -7.036 3.596 6.686 1.00 14.42 H new ATOM 0 HD11 LEU A 46 -6.023 1.428 7.294 1.00 71.40 H new ATOM 0 HD12 LEU A 46 -4.914 2.428 6.326 1.00 71.40 H new ATOM 0 HD13 LEU A 46 -4.679 2.285 8.084 1.00 71.40 H new ATOM 0 HD21 LEU A 46 -7.679 2.485 8.794 1.00 1.21 H new ATOM 0 HD22 LEU A 46 -6.404 3.385 9.651 1.00 1.21 H new ATOM 0 HD23 LEU A 46 -7.775 4.258 8.924 1.00 1.21 H new ATOM 720 N PRO A 47 -4.983 7.721 9.068 1.00 1.25 N ATOM 721 CA PRO A 47 -3.959 8.751 9.324 1.00 11.55 C ATOM 722 C PRO A 47 -2.553 8.296 8.892 1.00 33.31 C ATOM 723 O PRO A 47 -2.285 7.095 8.776 1.00 73.44 O ATOM 724 CB PRO A 47 -4.019 8.945 10.849 1.00 65.11 C ATOM 725 CG PRO A 47 -4.614 7.683 11.376 1.00 21.41 C ATOM 726 CD PRO A 47 -5.576 7.210 10.320 1.00 10.21 C ATOM 0 HA PRO A 47 -4.148 9.664 8.759 1.00 11.55 H new ATOM 0 HB2 PRO A 47 -3.026 9.117 11.264 1.00 65.11 H new ATOM 0 HB3 PRO A 47 -4.629 9.809 11.113 1.00 65.11 H new ATOM 0 HG2 PRO A 47 -3.843 6.936 11.565 1.00 21.41 H new ATOM 0 HG3 PRO A 47 -5.127 7.858 12.322 1.00 21.41 H new ATOM 0 HD2 PRO A 47 -5.661 6.123 10.311 1.00 10.21 H new ATOM 0 HD3 PRO A 47 -6.578 7.607 10.482 1.00 10.21 H new ATOM 734 N GLU A 48 -1.647 9.252 8.680 1.00 11.44 N ATOM 735 CA GLU A 48 -0.299 8.938 8.191 1.00 30.23 C ATOM 736 C GLU A 48 0.457 7.975 9.129 1.00 33.45 C ATOM 737 O GLU A 48 1.204 7.113 8.668 1.00 14.32 O ATOM 738 CB GLU A 48 0.509 10.230 7.932 1.00 25.30 C ATOM 739 CG GLU A 48 0.493 11.266 9.060 1.00 45.23 C ATOM 740 CD GLU A 48 1.284 10.849 10.289 1.00 2.51 C ATOM 741 OE1 GLU A 48 2.511 10.649 10.171 1.00 30.24 O ATOM 742 OE2 GLU A 48 0.675 10.698 11.370 1.00 63.10 O ATOM 0 H GLU A 48 -1.818 10.245 8.837 1.00 11.44 H new ATOM 0 HA GLU A 48 -0.415 8.416 7.241 1.00 30.23 H new ATOM 0 HB2 GLU A 48 1.545 9.954 7.733 1.00 25.30 H new ATOM 0 HB3 GLU A 48 0.125 10.701 7.027 1.00 25.30 H new ATOM 0 HG2 GLU A 48 0.895 12.206 8.683 1.00 45.23 H new ATOM 0 HG3 GLU A 48 -0.540 11.456 9.352 1.00 45.23 H new ATOM 749 N GLY A 49 0.245 8.116 10.436 1.00 24.43 N ATOM 750 CA GLY A 49 0.879 7.226 11.407 1.00 43.42 C ATOM 751 C GLY A 49 -0.123 6.347 12.150 1.00 44.35 C ATOM 752 O GLY A 49 -0.149 6.321 13.381 1.00 45.32 O ATOM 0 H GLY A 49 -0.356 8.832 10.845 1.00 24.43 H new ATOM 0 HA2 GLY A 49 1.601 6.591 10.893 1.00 43.42 H new ATOM 0 HA3 GLY A 49 1.437 7.823 12.129 1.00 43.42 H new ATOM 756 N SER A 50 -0.963 5.630 11.405 1.00 31.14 N ATOM 757 CA SER A 50 -1.945 4.713 12.001 1.00 70.35 C ATOM 758 C SER A 50 -1.269 3.450 12.558 1.00 64.11 C ATOM 759 O SER A 50 -0.046 3.302 12.487 1.00 41.03 O ATOM 760 CB SER A 50 -2.989 4.306 10.955 1.00 31.31 C ATOM 761 OG SER A 50 -2.407 3.512 9.937 1.00 61.00 O ATOM 0 H SER A 50 -0.986 5.664 10.386 1.00 31.14 H new ATOM 0 HA SER A 50 -2.429 5.239 12.824 1.00 70.35 H new ATOM 0 HB2 SER A 50 -3.795 3.752 11.437 1.00 31.31 H new ATOM 0 HB3 SER A 50 -3.435 5.198 10.515 1.00 31.31 H new ATOM 0 HG SER A 50 -3.093 3.264 9.283 1.00 61.00 H new ATOM 767 N LYS A 51 -2.063 2.530 13.111 1.00 24.20 N ATOM 768 CA LYS A 51 -1.527 1.257 13.613 1.00 50.13 C ATOM 769 C LYS A 51 -1.404 0.215 12.486 1.00 2.33 C ATOM 770 O LYS A 51 -1.039 -0.941 12.725 1.00 62.01 O ATOM 771 CB LYS A 51 -2.396 0.712 14.755 1.00 42.32 C ATOM 772 CG LYS A 51 -3.859 0.476 14.386 1.00 31.24 C ATOM 773 CD LYS A 51 -4.680 0.037 15.599 1.00 73.23 C ATOM 774 CE LYS A 51 -4.111 -1.224 16.242 1.00 2.41 C ATOM 775 NZ LYS A 51 -4.851 -1.615 17.470 1.00 11.20 N ATOM 0 H LYS A 51 -3.071 2.638 13.223 1.00 24.20 H new ATOM 0 HA LYS A 51 -0.527 1.452 14.000 1.00 50.13 H new ATOM 0 HB2 LYS A 51 -1.967 -0.228 15.103 1.00 42.32 H new ATOM 0 HB3 LYS A 51 -2.354 1.411 15.591 1.00 42.32 H new ATOM 0 HG2 LYS A 51 -4.282 1.390 13.971 1.00 31.24 H new ATOM 0 HG3 LYS A 51 -3.921 -0.286 13.609 1.00 31.24 H new ATOM 0 HD2 LYS A 51 -4.701 0.842 16.334 1.00 73.23 H new ATOM 0 HD3 LYS A 51 -5.711 -0.144 15.294 1.00 73.23 H new ATOM 0 HE2 LYS A 51 -4.146 -2.043 15.523 1.00 2.41 H new ATOM 0 HE3 LYS A 51 -3.062 -1.061 16.489 1.00 2.41 H new ATOM 0 HZ1 LYS A 51 -4.428 -2.476 17.871 1.00 11.20 H new ATOM 0 HZ2 LYS A 51 -4.797 -0.846 18.168 1.00 11.20 H new ATOM 0 HZ3 LYS A 51 -5.847 -1.797 17.232 1.00 11.20 H new ATOM 789 N LEU A 52 -1.699 0.639 11.261 1.00 54.32 N ATOM 790 CA LEU A 52 -1.594 -0.218 10.077 1.00 74.34 C ATOM 791 C LEU A 52 -0.736 0.463 8.999 1.00 0.21 C ATOM 792 O LEU A 52 -1.005 1.605 8.621 1.00 31.43 O ATOM 793 CB LEU A 52 -2.995 -0.498 9.510 1.00 3.20 C ATOM 794 CG LEU A 52 -3.032 -1.337 8.219 1.00 51.40 C ATOM 795 CD1 LEU A 52 -2.666 -2.792 8.495 1.00 24.31 C ATOM 796 CD2 LEU A 52 -4.398 -1.240 7.550 1.00 74.02 C ATOM 0 H LEU A 52 -2.018 1.586 11.057 1.00 54.32 H new ATOM 0 HA LEU A 52 -1.123 -1.157 10.368 1.00 74.34 H new ATOM 0 HB2 LEU A 52 -3.581 -1.011 10.273 1.00 3.20 H new ATOM 0 HB3 LEU A 52 -3.487 0.455 9.317 1.00 3.20 H new ATOM 0 HG LEU A 52 -2.287 -0.930 7.535 1.00 51.40 H new ATOM 0 HD11 LEU A 52 -2.701 -3.359 7.565 1.00 24.31 H new ATOM 0 HD12 LEU A 52 -1.660 -2.841 8.912 1.00 24.31 H new ATOM 0 HD13 LEU A 52 -3.375 -3.217 9.206 1.00 24.31 H new ATOM 0 HD21 LEU A 52 -4.401 -1.840 6.640 1.00 74.02 H new ATOM 0 HD22 LEU A 52 -5.164 -1.610 8.231 1.00 74.02 H new ATOM 0 HD23 LEU A 52 -4.607 -0.200 7.299 1.00 74.02 H new ATOM 808 N PRO A 53 0.319 -0.202 8.487 1.00 41.45 N ATOM 809 CA PRO A 53 1.117 0.373 7.400 1.00 21.41 C ATOM 810 C PRO A 53 0.339 0.407 6.074 1.00 5.55 C ATOM 811 O PRO A 53 0.331 -0.561 5.316 1.00 23.10 O ATOM 812 CB PRO A 53 2.325 -0.572 7.307 1.00 62.10 C ATOM 813 CG PRO A 53 1.831 -1.872 7.853 1.00 53.13 C ATOM 814 CD PRO A 53 0.825 -1.520 8.921 1.00 11.53 C ATOM 0 HA PRO A 53 1.395 1.410 7.591 1.00 21.41 H new ATOM 0 HB2 PRO A 53 2.666 -0.679 6.277 1.00 62.10 H new ATOM 0 HB3 PRO A 53 3.169 -0.195 7.885 1.00 62.10 H new ATOM 0 HG2 PRO A 53 1.373 -2.475 7.069 1.00 53.13 H new ATOM 0 HG3 PRO A 53 2.651 -2.458 8.268 1.00 53.13 H new ATOM 0 HD2 PRO A 53 0.026 -2.259 8.980 1.00 11.53 H new ATOM 0 HD3 PRO A 53 1.286 -1.469 9.907 1.00 11.53 H new ATOM 822 N TRP A 54 -0.300 1.542 5.796 1.00 71.30 N ATOM 823 CA TRP A 54 -1.091 1.710 4.569 1.00 53.12 C ATOM 824 C TRP A 54 -0.203 2.138 3.396 1.00 42.32 C ATOM 825 O TRP A 54 -0.468 1.809 2.240 1.00 60.13 O ATOM 826 CB TRP A 54 -2.207 2.745 4.800 1.00 53.03 C ATOM 827 CG TRP A 54 -1.703 4.086 5.265 1.00 40.40 C ATOM 828 CD1 TRP A 54 -1.516 4.487 6.557 1.00 23.21 C ATOM 829 CD2 TRP A 54 -1.326 5.198 4.443 1.00 1.21 C ATOM 830 NE1 TRP A 54 -1.035 5.772 6.587 1.00 73.53 N ATOM 831 CE2 TRP A 54 -0.914 6.232 5.302 1.00 60.21 C ATOM 832 CE3 TRP A 54 -1.295 5.416 3.064 1.00 43.31 C ATOM 833 CZ2 TRP A 54 -0.474 7.467 4.825 1.00 52.15 C ATOM 834 CZ3 TRP A 54 -0.861 6.639 2.593 1.00 43.23 C ATOM 835 CH2 TRP A 54 -0.457 7.652 3.470 1.00 65.13 C ATOM 0 H TRP A 54 -0.288 2.362 6.402 1.00 71.30 H new ATOM 0 HA TRP A 54 -1.542 0.750 4.317 1.00 53.12 H new ATOM 0 HB2 TRP A 54 -2.764 2.878 3.873 1.00 53.03 H new ATOM 0 HB3 TRP A 54 -2.906 2.353 5.539 1.00 53.03 H new ATOM 0 HD1 TRP A 54 -1.717 3.881 7.428 1.00 23.21 H new ATOM 0 HE1 TRP A 54 -0.805 6.299 7.429 1.00 73.53 H new ATOM 0 HE3 TRP A 54 -1.605 4.642 2.378 1.00 43.31 H new ATOM 0 HZ2 TRP A 54 -0.158 8.248 5.501 1.00 52.15 H new ATOM 0 HZ3 TRP A 54 -0.833 6.817 1.528 1.00 43.23 H new ATOM 0 HH2 TRP A 54 -0.125 8.598 3.069 1.00 65.13 H new ATOM 846 N PHE A 55 0.871 2.853 3.713 1.00 45.15 N ATOM 847 CA PHE A 55 1.794 3.378 2.701 1.00 71.23 C ATOM 848 C PHE A 55 2.472 2.269 1.870 1.00 24.24 C ATOM 849 O PHE A 55 3.048 2.544 0.818 1.00 30.44 O ATOM 850 CB PHE A 55 2.849 4.276 3.369 1.00 51.13 C ATOM 851 CG PHE A 55 3.561 3.637 4.539 1.00 62.53 C ATOM 852 CD1 PHE A 55 3.042 3.739 5.824 1.00 1.14 C ATOM 853 CD2 PHE A 55 4.753 2.950 4.357 1.00 31.40 C ATOM 854 CE1 PHE A 55 3.696 3.166 6.898 1.00 22.23 C ATOM 855 CE2 PHE A 55 5.409 2.379 5.428 1.00 33.25 C ATOM 856 CZ PHE A 55 4.881 2.486 6.700 1.00 41.33 C ATOM 0 H PHE A 55 1.129 3.087 4.672 1.00 45.15 H new ATOM 0 HA PHE A 55 1.201 3.967 2.001 1.00 71.23 H new ATOM 0 HB2 PHE A 55 3.589 4.564 2.622 1.00 51.13 H new ATOM 0 HB3 PHE A 55 2.366 5.192 3.709 1.00 51.13 H new ATOM 0 HD1 PHE A 55 2.117 4.272 5.985 1.00 1.14 H new ATOM 0 HD2 PHE A 55 5.172 2.861 3.366 1.00 31.40 H new ATOM 0 HE1 PHE A 55 3.281 3.250 7.891 1.00 22.23 H new ATOM 0 HE2 PHE A 55 6.336 1.848 5.272 1.00 33.25 H new ATOM 0 HZ PHE A 55 5.394 2.038 7.538 1.00 41.33 H new ATOM 866 N ARG A 56 2.387 1.018 2.331 1.00 21.10 N ATOM 867 CA ARG A 56 3.018 -0.107 1.625 1.00 4.43 C ATOM 868 C ARG A 56 2.116 -0.673 0.515 1.00 74.24 C ATOM 869 O ARG A 56 2.423 -1.715 -0.064 1.00 3.43 O ATOM 870 CB ARG A 56 3.373 -1.240 2.601 1.00 24.03 C ATOM 871 CG ARG A 56 4.219 -0.804 3.794 1.00 30.23 C ATOM 872 CD ARG A 56 4.785 -2.004 4.556 1.00 71.13 C ATOM 873 NE ARG A 56 5.305 -1.632 5.871 1.00 2.52 N ATOM 874 CZ ARG A 56 6.395 -0.942 6.078 1.00 11.22 C ATOM 875 NH1 ARG A 56 7.127 -0.530 5.087 1.00 21.34 N ATOM 876 NH2 ARG A 56 6.754 -0.666 7.285 1.00 72.02 N ATOM 0 H ARG A 56 1.892 0.757 3.184 1.00 21.10 H new ATOM 0 HA ARG A 56 3.927 0.287 1.169 1.00 4.43 H new ATOM 0 HB2 ARG A 56 2.450 -1.687 2.970 1.00 24.03 H new ATOM 0 HB3 ARG A 56 3.909 -2.018 2.056 1.00 24.03 H new ATOM 0 HG2 ARG A 56 5.038 -0.174 3.448 1.00 30.23 H new ATOM 0 HG3 ARG A 56 3.613 -0.198 4.468 1.00 30.23 H new ATOM 0 HD2 ARG A 56 4.005 -2.756 4.676 1.00 71.13 H new ATOM 0 HD3 ARG A 56 5.581 -2.461 3.969 1.00 71.13 H new ATOM 0 HE ARG A 56 4.776 -1.934 6.689 1.00 2.52 H new ATOM 0 HH11 ARG A 56 6.854 -0.744 4.128 1.00 21.34 H new ATOM 0 HH12 ARG A 56 7.975 0.008 5.268 1.00 21.34 H new ATOM 0 HH21 ARG A 56 6.188 -0.986 8.071 1.00 72.02 H new ATOM 0 HH22 ARG A 56 7.604 -0.128 7.454 1.00 72.02 H new ATOM 890 N VAL A 57 1.000 -0.005 0.226 1.00 53.11 N ATOM 891 CA VAL A 57 0.074 -0.471 -0.816 1.00 13.45 C ATOM 892 C VAL A 57 -0.191 0.625 -1.869 1.00 40.12 C ATOM 893 O VAL A 57 -0.570 1.747 -1.534 1.00 1.55 O ATOM 894 CB VAL A 57 -1.275 -0.938 -0.207 1.00 41.44 C ATOM 895 CG1 VAL A 57 -2.159 -1.576 -1.279 1.00 2.50 C ATOM 896 CG2 VAL A 57 -1.045 -1.909 0.954 1.00 22.43 C ATOM 0 H VAL A 57 0.713 0.855 0.693 1.00 53.11 H new ATOM 0 HA VAL A 57 0.554 -1.319 -1.305 1.00 13.45 H new ATOM 0 HB VAL A 57 -1.790 -0.061 0.185 1.00 41.44 H new ATOM 0 HG11 VAL A 57 -3.100 -1.897 -0.831 1.00 2.50 H new ATOM 0 HG12 VAL A 57 -2.360 -0.848 -2.065 1.00 2.50 H new ATOM 0 HG13 VAL A 57 -1.648 -2.439 -1.706 1.00 2.50 H new ATOM 0 HG21 VAL A 57 -2.006 -2.221 1.363 1.00 22.43 H new ATOM 0 HG22 VAL A 57 -0.502 -2.783 0.595 1.00 22.43 H new ATOM 0 HG23 VAL A 57 -0.463 -1.415 1.732 1.00 22.43 H new ATOM 906 N ILE A 58 0.009 0.285 -3.144 1.00 25.24 N ATOM 907 CA ILE A 58 -0.210 1.231 -4.253 1.00 64.04 C ATOM 908 C ILE A 58 -1.085 0.611 -5.360 1.00 33.54 C ATOM 909 O ILE A 58 -1.634 -0.481 -5.191 1.00 5.02 O ATOM 910 CB ILE A 58 1.133 1.707 -4.867 1.00 52.10 C ATOM 911 CG1 ILE A 58 1.954 0.512 -5.384 1.00 13.32 C ATOM 912 CG2 ILE A 58 1.936 2.517 -3.851 1.00 13.25 C ATOM 913 CD1 ILE A 58 3.251 0.908 -6.059 1.00 25.42 C ATOM 0 H ILE A 58 0.323 -0.639 -3.440 1.00 25.24 H new ATOM 0 HA ILE A 58 -0.731 2.091 -3.831 1.00 64.04 H new ATOM 0 HB ILE A 58 0.907 2.354 -5.715 1.00 52.10 H new ATOM 0 HG12 ILE A 58 2.178 -0.152 -4.549 1.00 13.32 H new ATOM 0 HG13 ILE A 58 1.347 -0.056 -6.089 1.00 13.32 H new ATOM 0 HG21 ILE A 58 2.874 2.840 -4.303 1.00 13.25 H new ATOM 0 HG22 ILE A 58 1.360 3.391 -3.545 1.00 13.25 H new ATOM 0 HG23 ILE A 58 2.148 1.899 -2.979 1.00 13.25 H new ATOM 0 HD11 ILE A 58 3.774 0.013 -6.396 1.00 25.42 H new ATOM 0 HD12 ILE A 58 3.035 1.547 -6.915 1.00 25.42 H new ATOM 0 HD13 ILE A 58 3.879 1.450 -5.351 1.00 25.42 H new ATOM 925 N ASN A 59 -1.219 1.314 -6.492 1.00 55.33 N ATOM 926 CA ASN A 59 -2.064 0.840 -7.600 1.00 41.32 C ATOM 927 C ASN A 59 -1.308 -0.135 -8.527 1.00 2.13 C ATOM 928 O ASN A 59 -0.108 -0.363 -8.371 1.00 21.23 O ATOM 929 CB ASN A 59 -2.616 2.032 -8.404 1.00 34.41 C ATOM 930 CG ASN A 59 -1.536 2.884 -9.050 1.00 21.11 C ATOM 931 OD1 ASN A 59 -0.468 2.401 -9.415 1.00 20.05 O ATOM 932 ND2 ASN A 59 -1.805 4.163 -9.207 1.00 34.42 N ATOM 0 H ASN A 59 -0.758 2.207 -6.666 1.00 55.33 H new ATOM 0 HA ASN A 59 -2.898 0.291 -7.163 1.00 41.32 H new ATOM 0 HB2 ASN A 59 -3.284 1.658 -9.180 1.00 34.41 H new ATOM 0 HB3 ASN A 59 -3.215 2.659 -7.743 1.00 34.41 H new ATOM 0 HD21 ASN A 59 -1.118 4.779 -9.641 1.00 34.42 H new ATOM 0 HD22 ASN A 59 -2.701 4.538 -8.894 1.00 34.42 H new ATOM 939 N SER A 60 -2.021 -0.692 -9.506 1.00 40.12 N ATOM 940 CA SER A 60 -1.440 -1.664 -10.447 1.00 35.54 C ATOM 941 C SER A 60 -0.485 -0.997 -11.449 1.00 60.42 C ATOM 942 O SER A 60 0.259 -1.676 -12.156 1.00 23.22 O ATOM 943 CB SER A 60 -2.554 -2.389 -11.211 1.00 62.03 C ATOM 944 OG SER A 60 -3.353 -1.469 -11.943 1.00 44.44 O ATOM 0 H SER A 60 -3.007 -0.489 -9.673 1.00 40.12 H new ATOM 0 HA SER A 60 -0.865 -2.379 -9.859 1.00 35.54 H new ATOM 0 HB2 SER A 60 -2.117 -3.119 -11.893 1.00 62.03 H new ATOM 0 HB3 SER A 60 -3.180 -2.942 -10.510 1.00 62.03 H new ATOM 0 HG SER A 60 -4.055 -1.955 -12.423 1.00 44.44 H new ATOM 950 N GLN A 61 -0.509 0.330 -11.507 1.00 11.44 N ATOM 951 CA GLN A 61 0.348 1.084 -12.430 1.00 72.12 C ATOM 952 C GLN A 61 1.775 1.230 -11.884 1.00 4.33 C ATOM 953 O GLN A 61 2.700 1.566 -12.626 1.00 73.23 O ATOM 954 CB GLN A 61 -0.243 2.478 -12.673 1.00 1.30 C ATOM 955 CG GLN A 61 -1.694 2.465 -13.135 1.00 22.42 C ATOM 956 CD GLN A 61 -2.257 3.861 -13.339 1.00 73.44 C ATOM 957 OE1 GLN A 61 -1.541 4.790 -13.695 1.00 52.14 O ATOM 958 NE2 GLN A 61 -3.541 4.024 -13.108 1.00 21.32 N ATOM 0 H GLN A 61 -1.113 0.912 -10.926 1.00 11.44 H new ATOM 0 HA GLN A 61 0.393 0.528 -13.366 1.00 72.12 H new ATOM 0 HB2 GLN A 61 -0.171 3.057 -11.752 1.00 1.30 H new ATOM 0 HB3 GLN A 61 0.361 2.992 -13.421 1.00 1.30 H new ATOM 0 HG2 GLN A 61 -1.769 1.908 -14.069 1.00 22.42 H new ATOM 0 HG3 GLN A 61 -2.301 1.937 -12.399 1.00 22.42 H new ATOM 0 HE21 GLN A 61 -4.111 3.231 -12.813 1.00 21.32 H new ATOM 0 HE22 GLN A 61 -3.967 4.943 -13.224 1.00 21.32 H new ATOM 967 N GLY A 62 1.945 0.984 -10.588 1.00 63.01 N ATOM 968 CA GLY A 62 3.234 1.208 -9.942 1.00 24.33 C ATOM 969 C GLY A 62 3.384 2.640 -9.436 1.00 71.12 C ATOM 970 O GLY A 62 4.496 3.133 -9.238 1.00 43.22 O ATOM 0 H GLY A 62 1.214 0.633 -9.970 1.00 63.01 H new ATOM 0 HA2 GLY A 62 3.345 0.516 -9.107 1.00 24.33 H new ATOM 0 HA3 GLY A 62 4.035 0.988 -10.647 1.00 24.33 H new ATOM 974 N LYS A 63 2.250 3.310 -9.237 1.00 75.23 N ATOM 975 CA LYS A 63 2.226 4.687 -8.736 1.00 5.45 C ATOM 976 C LYS A 63 1.485 4.784 -7.395 1.00 14.21 C ATOM 977 O LYS A 63 0.686 3.911 -7.043 1.00 44.32 O ATOM 978 CB LYS A 63 1.543 5.624 -9.747 1.00 0.30 C ATOM 979 CG LYS A 63 2.257 5.759 -11.091 1.00 22.24 C ATOM 980 CD LYS A 63 1.623 6.864 -11.935 1.00 5.11 C ATOM 981 CE LYS A 63 2.329 7.056 -13.273 1.00 64.13 C ATOM 982 NZ LYS A 63 2.124 5.905 -14.188 1.00 23.32 N ATOM 0 H LYS A 63 1.326 2.918 -9.417 1.00 75.23 H new ATOM 0 HA LYS A 63 3.263 4.991 -8.593 1.00 5.45 H new ATOM 0 HB2 LYS A 63 0.530 5.263 -9.926 1.00 0.30 H new ATOM 0 HB3 LYS A 63 1.455 6.614 -9.299 1.00 0.30 H new ATOM 0 HG2 LYS A 63 3.312 5.981 -10.927 1.00 22.24 H new ATOM 0 HG3 LYS A 63 2.210 4.812 -11.629 1.00 22.24 H new ATOM 0 HD2 LYS A 63 0.574 6.625 -12.112 1.00 5.11 H new ATOM 0 HD3 LYS A 63 1.646 7.801 -11.378 1.00 5.11 H new ATOM 0 HE2 LYS A 63 1.961 7.965 -13.748 1.00 64.13 H new ATOM 0 HE3 LYS A 63 3.396 7.195 -13.101 1.00 64.13 H new ATOM 0 HZ1 LYS A 63 2.608 6.088 -15.090 1.00 23.32 H new ATOM 0 HZ2 LYS A 63 2.514 5.043 -13.755 1.00 23.32 H new ATOM 0 HZ3 LYS A 63 1.107 5.776 -14.361 1.00 23.32 H new ATOM 996 N ILE A 64 1.750 5.855 -6.653 1.00 24.45 N ATOM 997 CA ILE A 64 1.025 6.142 -5.415 1.00 33.42 C ATOM 998 C ILE A 64 -0.443 6.484 -5.717 1.00 20.04 C ATOM 999 O ILE A 64 -0.730 7.318 -6.576 1.00 71.24 O ATOM 1000 CB ILE A 64 1.689 7.312 -4.638 1.00 35.22 C ATOM 1001 CG1 ILE A 64 3.111 6.918 -4.190 1.00 22.20 C ATOM 1002 CG2 ILE A 64 0.838 7.729 -3.437 1.00 64.40 C ATOM 1003 CD1 ILE A 64 3.829 7.989 -3.391 1.00 31.44 C ATOM 0 H ILE A 64 2.465 6.543 -6.888 1.00 24.45 H new ATOM 0 HA ILE A 64 1.062 5.248 -4.793 1.00 33.42 H new ATOM 0 HB ILE A 64 1.761 8.169 -5.308 1.00 35.22 H new ATOM 0 HG12 ILE A 64 3.052 6.010 -3.590 1.00 22.20 H new ATOM 0 HG13 ILE A 64 3.705 6.679 -5.072 1.00 22.20 H new ATOM 0 HG21 ILE A 64 1.327 8.550 -2.912 1.00 64.40 H new ATOM 0 HG22 ILE A 64 -0.144 8.053 -3.782 1.00 64.40 H new ATOM 0 HG23 ILE A 64 0.724 6.882 -2.760 1.00 64.40 H new ATOM 0 HD11 ILE A 64 4.821 7.633 -3.115 1.00 31.44 H new ATOM 0 HD12 ILE A 64 3.922 8.892 -3.994 1.00 31.44 H new ATOM 0 HD13 ILE A 64 3.260 8.213 -2.489 1.00 31.44 H new ATOM 1015 N SER A 65 -1.361 5.832 -5.011 1.00 11.33 N ATOM 1016 CA SER A 65 -2.802 6.031 -5.229 1.00 63.14 C ATOM 1017 C SER A 65 -3.234 7.459 -4.876 1.00 53.42 C ATOM 1018 O SER A 65 -3.844 8.158 -5.691 1.00 0.20 O ATOM 1019 CB SER A 65 -3.601 5.037 -4.380 1.00 41.34 C ATOM 1020 OG SER A 65 -3.311 5.206 -3.003 1.00 23.53 O ATOM 0 H SER A 65 -1.138 5.158 -4.279 1.00 11.33 H new ATOM 0 HA SER A 65 -3.002 5.864 -6.287 1.00 63.14 H new ATOM 0 HB2 SER A 65 -4.668 5.180 -4.552 1.00 41.34 H new ATOM 0 HB3 SER A 65 -3.363 4.018 -4.684 1.00 41.34 H new ATOM 0 HG SER A 65 -3.427 4.352 -2.537 1.00 23.53 H new ATOM 1026 N LEU A 66 -2.912 7.882 -3.659 1.00 64.10 N ATOM 1027 CA LEU A 66 -3.285 9.210 -3.159 1.00 31.04 C ATOM 1028 C LEU A 66 -2.626 10.341 -3.972 1.00 14.21 C ATOM 1029 O LEU A 66 -1.534 10.181 -4.522 1.00 73.44 O ATOM 1030 CB LEU A 66 -2.917 9.332 -1.674 1.00 31.11 C ATOM 1031 CG LEU A 66 -3.582 8.294 -0.750 1.00 34.34 C ATOM 1032 CD1 LEU A 66 -3.137 8.493 0.696 1.00 2.41 C ATOM 1033 CD2 LEU A 66 -5.106 8.369 -0.859 1.00 73.14 C ATOM 0 H LEU A 66 -2.387 7.320 -2.989 1.00 64.10 H new ATOM 0 HA LEU A 66 -4.363 9.317 -3.275 1.00 31.04 H new ATOM 0 HB2 LEU A 66 -1.835 9.244 -1.575 1.00 31.11 H new ATOM 0 HB3 LEU A 66 -3.188 10.330 -1.329 1.00 31.11 H new ATOM 0 HG LEU A 66 -3.265 7.302 -1.072 1.00 34.34 H new ATOM 0 HD11 LEU A 66 -3.619 7.749 1.331 1.00 2.41 H new ATOM 0 HD12 LEU A 66 -2.055 8.380 0.762 1.00 2.41 H new ATOM 0 HD13 LEU A 66 -3.419 9.492 1.029 1.00 2.41 H new ATOM 0 HD21 LEU A 66 -5.555 7.627 -0.198 1.00 73.14 H new ATOM 0 HD22 LEU A 66 -5.443 9.364 -0.569 1.00 73.14 H new ATOM 0 HD23 LEU A 66 -5.408 8.169 -1.887 1.00 73.14 H new ATOM 1045 N LYS A 67 -3.301 11.485 -4.036 1.00 64.01 N ATOM 1046 CA LYS A 67 -2.842 12.624 -4.843 1.00 43.25 C ATOM 1047 C LYS A 67 -2.666 13.888 -3.985 1.00 72.43 C ATOM 1048 O LYS A 67 -3.255 14.008 -2.907 1.00 32.40 O ATOM 1049 CB LYS A 67 -3.843 12.881 -5.982 1.00 12.35 C ATOM 1050 CG LYS A 67 -5.279 13.089 -5.502 1.00 62.12 C ATOM 1051 CD LYS A 67 -6.290 13.138 -6.652 1.00 50.30 C ATOM 1052 CE LYS A 67 -6.228 14.444 -7.444 1.00 4.41 C ATOM 1053 NZ LYS A 67 -4.970 14.584 -8.223 1.00 33.20 N ATOM 0 H LYS A 67 -4.174 11.654 -3.537 1.00 64.01 H new ATOM 0 HA LYS A 67 -1.867 12.378 -5.264 1.00 43.25 H new ATOM 0 HB2 LYS A 67 -3.525 13.761 -6.542 1.00 12.35 H new ATOM 0 HB3 LYS A 67 -3.819 12.038 -6.673 1.00 12.35 H new ATOM 0 HG2 LYS A 67 -5.550 12.282 -4.821 1.00 62.12 H new ATOM 0 HG3 LYS A 67 -5.336 14.018 -4.935 1.00 62.12 H new ATOM 0 HD2 LYS A 67 -6.107 12.301 -7.326 1.00 50.30 H new ATOM 0 HD3 LYS A 67 -7.295 13.010 -6.251 1.00 50.30 H new ATOM 0 HE2 LYS A 67 -7.079 14.492 -8.124 1.00 4.41 H new ATOM 0 HE3 LYS A 67 -6.321 15.285 -6.757 1.00 4.41 H new ATOM 0 HZ1 LYS A 67 -5.184 14.982 -9.160 1.00 33.20 H new ATOM 0 HZ2 LYS A 67 -4.318 15.218 -7.718 1.00 33.20 H new ATOM 0 HZ3 LYS A 67 -4.526 13.650 -8.337 1.00 33.20 H new ATOM 1067 N GLY A 68 -1.842 14.821 -4.459 1.00 72.33 N ATOM 1068 CA GLY A 68 -1.610 16.069 -3.733 1.00 64.21 C ATOM 1069 C GLY A 68 -0.709 15.898 -2.510 1.00 51.31 C ATOM 1070 O GLY A 68 0.374 15.318 -2.609 1.00 23.30 O ATOM 0 H GLY A 68 -1.327 14.738 -5.336 1.00 72.33 H new ATOM 0 HA2 GLY A 68 -1.160 16.796 -4.409 1.00 64.21 H new ATOM 0 HA3 GLY A 68 -2.568 16.480 -3.415 1.00 64.21 H new ATOM 1074 N ARG A 69 -1.161 16.402 -1.356 1.00 41.21 N ATOM 1075 CA ARG A 69 -0.399 16.302 -0.094 1.00 32.30 C ATOM 1076 C ARG A 69 -0.043 14.839 0.205 1.00 32.44 C ATOM 1077 O ARG A 69 1.101 14.481 0.478 1.00 45.00 O ATOM 1078 CB ARG A 69 -1.242 16.793 1.095 1.00 2.33 C ATOM 1079 CG ARG A 69 -2.129 18.001 0.822 1.00 42.31 C ATOM 1080 CD ARG A 69 -3.248 18.073 1.861 1.00 50.42 C ATOM 1081 NE ARG A 69 -3.830 16.742 2.100 1.00 74.43 N ATOM 1082 CZ ARG A 69 -4.405 16.369 3.213 1.00 73.30 C ATOM 1083 NH1 ARG A 69 -4.605 17.211 4.175 1.00 61.41 N ATOM 1084 NH2 ARG A 69 -4.778 15.138 3.359 1.00 42.41 N ATOM 0 H ARG A 69 -2.054 16.886 -1.264 1.00 41.21 H new ATOM 0 HA ARG A 69 0.496 16.911 -0.216 1.00 32.30 H new ATOM 0 HB2 ARG A 69 -1.873 15.971 1.433 1.00 2.33 H new ATOM 0 HB3 ARG A 69 -0.569 17.038 1.917 1.00 2.33 H new ATOM 0 HG2 ARG A 69 -1.534 18.914 0.852 1.00 42.31 H new ATOM 0 HG3 ARG A 69 -2.555 17.931 -0.179 1.00 42.31 H new ATOM 0 HD2 ARG A 69 -2.857 18.476 2.795 1.00 50.42 H new ATOM 0 HD3 ARG A 69 -4.024 18.757 1.519 1.00 50.42 H new ATOM 0 HE ARG A 69 -3.781 16.061 1.342 1.00 74.43 H new ATOM 0 HH11 ARG A 69 -4.313 18.183 4.071 1.00 61.41 H new ATOM 0 HH12 ARG A 69 -5.055 16.903 5.037 1.00 61.41 H new ATOM 0 HH21 ARG A 69 -4.623 14.466 2.608 1.00 42.41 H new ATOM 0 HH22 ARG A 69 -5.227 14.841 4.225 1.00 42.41 H new ATOM 1098 N ASP A 70 -1.074 14.010 0.154 1.00 43.04 N ATOM 1099 CA ASP A 70 -0.998 12.617 0.574 1.00 75.13 C ATOM 1100 C ASP A 70 -0.021 11.797 -0.293 1.00 63.33 C ATOM 1101 O ASP A 70 0.442 10.731 0.120 1.00 63.44 O ATOM 1102 CB ASP A 70 -2.407 12.027 0.544 1.00 62.31 C ATOM 1103 CG ASP A 70 -3.395 12.884 1.329 1.00 3.33 C ATOM 1104 OD1 ASP A 70 -3.796 13.960 0.821 1.00 13.31 O ATOM 1105 OD2 ASP A 70 -3.768 12.504 2.450 1.00 41.34 O ATOM 0 H ASP A 70 -1.996 14.287 -0.183 1.00 43.04 H new ATOM 0 HA ASP A 70 -0.601 12.572 1.588 1.00 75.13 H new ATOM 0 HB2 ASP A 70 -2.743 11.939 -0.489 1.00 62.31 H new ATOM 0 HB3 ASP A 70 -2.389 11.020 0.960 1.00 62.31 H new ATOM 1110 N LEU A 71 0.309 12.311 -1.480 1.00 74.23 N ATOM 1111 CA LEU A 71 1.305 11.671 -2.347 1.00 54.51 C ATOM 1112 C LEU A 71 2.691 11.716 -1.682 1.00 41.50 C ATOM 1113 O LEU A 71 3.327 10.677 -1.478 1.00 63.12 O ATOM 1114 CB LEU A 71 1.328 12.356 -3.732 1.00 75.22 C ATOM 1115 CG LEU A 71 2.160 11.656 -4.834 1.00 63.42 C ATOM 1116 CD1 LEU A 71 1.710 12.116 -6.218 1.00 33.25 C ATOM 1117 CD2 LEU A 71 3.661 11.923 -4.660 1.00 35.25 C ATOM 0 H LEU A 71 -0.096 13.165 -1.863 1.00 74.23 H new ATOM 0 HA LEU A 71 1.032 10.626 -2.493 1.00 54.51 H new ATOM 0 HB2 LEU A 71 0.301 12.446 -4.085 1.00 75.22 H new ATOM 0 HB3 LEU A 71 1.712 13.368 -3.606 1.00 75.22 H new ATOM 0 HG LEU A 71 1.991 10.583 -4.740 1.00 63.42 H new ATOM 0 HD11 LEU A 71 2.306 11.614 -6.980 1.00 33.25 H new ATOM 0 HD12 LEU A 71 0.658 11.869 -6.359 1.00 33.25 H new ATOM 0 HD13 LEU A 71 1.845 13.194 -6.305 1.00 33.25 H new ATOM 0 HD21 LEU A 71 4.215 11.417 -5.451 1.00 35.25 H new ATOM 0 HD22 LEU A 71 3.849 12.995 -4.715 1.00 35.25 H new ATOM 0 HD23 LEU A 71 3.987 11.547 -3.690 1.00 35.25 H new ATOM 1129 N ASP A 72 3.156 12.919 -1.331 1.00 11.33 N ATOM 1130 CA ASP A 72 4.449 13.071 -0.654 1.00 65.34 C ATOM 1131 C ASP A 72 4.384 12.534 0.787 1.00 15.43 C ATOM 1132 O ASP A 72 5.399 12.123 1.348 1.00 2.31 O ATOM 1133 CB ASP A 72 4.921 14.534 -0.679 1.00 30.04 C ATOM 1134 CG ASP A 72 3.931 15.494 -0.045 1.00 33.33 C ATOM 1135 OD1 ASP A 72 3.901 15.581 1.198 1.00 14.24 O ATOM 1136 OD2 ASP A 72 3.190 16.176 -0.786 1.00 23.54 O ATOM 0 H ASP A 72 2.662 13.795 -1.502 1.00 11.33 H new ATOM 0 HA ASP A 72 5.182 12.477 -1.200 1.00 65.34 H new ATOM 0 HB2 ASP A 72 5.875 14.610 -0.158 1.00 30.04 H new ATOM 0 HB3 ASP A 72 5.097 14.834 -1.712 1.00 30.04 H new ATOM 1141 N ARG A 73 3.184 12.541 1.377 1.00 74.40 N ATOM 1142 CA ARG A 73 2.947 11.885 2.673 1.00 63.25 C ATOM 1143 C ARG A 73 3.319 10.392 2.605 1.00 40.11 C ATOM 1144 O ARG A 73 4.130 9.898 3.394 1.00 35.13 O ATOM 1145 CB ARG A 73 1.471 12.042 3.094 1.00 51.33 C ATOM 1146 CG ARG A 73 1.064 11.188 4.296 1.00 72.25 C ATOM 1147 CD ARG A 73 -0.429 11.316 4.621 1.00 63.52 C ATOM 1148 NE ARG A 73 -0.757 12.594 5.249 1.00 20.24 N ATOM 1149 CZ ARG A 73 -1.880 12.842 5.876 1.00 20.24 C ATOM 1150 NH1 ARG A 73 -2.817 11.950 5.937 1.00 60.44 N ATOM 1151 NH2 ARG A 73 -2.059 13.986 6.447 1.00 60.12 N ATOM 0 H ARG A 73 2.360 12.993 0.980 1.00 74.40 H new ATOM 0 HA ARG A 73 3.580 12.367 3.418 1.00 63.25 H new ATOM 0 HB2 ARG A 73 1.282 13.090 3.327 1.00 51.33 H new ATOM 0 HB3 ARG A 73 0.835 11.784 2.248 1.00 51.33 H new ATOM 0 HG2 ARG A 73 1.301 10.144 4.094 1.00 72.25 H new ATOM 0 HG3 ARG A 73 1.650 11.486 5.166 1.00 72.25 H new ATOM 0 HD2 ARG A 73 -1.008 11.206 3.704 1.00 63.52 H new ATOM 0 HD3 ARG A 73 -0.724 10.503 5.284 1.00 63.52 H new ATOM 0 HE ARG A 73 -0.066 13.342 5.196 1.00 20.24 H new ATOM 0 HH11 ARG A 73 -2.685 11.041 5.493 1.00 60.44 H new ATOM 0 HH12 ARG A 73 -3.687 12.157 6.429 1.00 60.44 H new ATOM 0 HH21 ARG A 73 -1.327 14.695 6.409 1.00 60.12 H new ATOM 0 HH22 ARG A 73 -2.933 14.181 6.936 1.00 60.12 H new ATOM 1165 N GLN A 74 2.725 9.678 1.648 1.00 51.03 N ATOM 1166 CA GLN A 74 3.015 8.255 1.465 1.00 21.15 C ATOM 1167 C GLN A 74 4.479 8.046 1.049 1.00 21.34 C ATOM 1168 O GLN A 74 5.145 7.128 1.531 1.00 23.42 O ATOM 1169 CB GLN A 74 2.070 7.641 0.420 1.00 73.30 C ATOM 1170 CG GLN A 74 2.147 6.117 0.358 1.00 3.13 C ATOM 1171 CD GLN A 74 1.116 5.494 -0.569 1.00 44.24 C ATOM 1172 OE1 GLN A 74 0.048 6.049 -0.798 1.00 31.24 O ATOM 1173 NE2 GLN A 74 1.416 4.318 -1.082 1.00 15.54 N ATOM 0 H GLN A 74 2.044 10.059 0.991 1.00 51.03 H new ATOM 0 HA GLN A 74 2.853 7.751 2.418 1.00 21.15 H new ATOM 0 HB2 GLN A 74 1.046 7.937 0.648 1.00 73.30 H new ATOM 0 HB3 GLN A 74 2.310 8.050 -0.561 1.00 73.30 H new ATOM 0 HG2 GLN A 74 3.144 5.825 0.028 1.00 3.13 H new ATOM 0 HG3 GLN A 74 2.012 5.713 1.362 1.00 3.13 H new ATOM 0 HE21 GLN A 74 2.314 3.884 -0.871 1.00 15.54 H new ATOM 0 HE22 GLN A 74 0.750 3.842 -1.690 1.00 15.54 H new ATOM 1182 N LYS A 75 4.978 8.916 0.167 1.00 41.21 N ATOM 1183 CA LYS A 75 6.375 8.854 -0.276 1.00 1.50 C ATOM 1184 C LYS A 75 7.356 8.944 0.904 1.00 71.23 C ATOM 1185 O LYS A 75 8.180 8.055 1.087 1.00 4.10 O ATOM 1186 CB LYS A 75 6.689 9.969 -1.283 1.00 63.52 C ATOM 1187 CG LYS A 75 8.172 10.048 -1.646 1.00 13.34 C ATOM 1188 CD LYS A 75 8.482 11.206 -2.588 1.00 53.43 C ATOM 1189 CE LYS A 75 9.988 11.413 -2.743 1.00 70.23 C ATOM 1190 NZ LYS A 75 10.665 10.235 -3.343 1.00 20.40 N ATOM 0 H LYS A 75 4.437 9.671 -0.254 1.00 41.21 H new ATOM 0 HA LYS A 75 6.503 7.886 -0.760 1.00 1.50 H new ATOM 0 HB2 LYS A 75 6.107 9.806 -2.190 1.00 63.52 H new ATOM 0 HB3 LYS A 75 6.371 10.925 -0.868 1.00 63.52 H new ATOM 0 HG2 LYS A 75 8.760 10.158 -0.735 1.00 13.34 H new ATOM 0 HG3 LYS A 75 8.479 9.112 -2.113 1.00 13.34 H new ATOM 0 HD2 LYS A 75 8.038 11.011 -3.564 1.00 53.43 H new ATOM 0 HD3 LYS A 75 8.025 12.119 -2.206 1.00 53.43 H new ATOM 0 HE2 LYS A 75 10.169 12.289 -3.366 1.00 70.23 H new ATOM 0 HE3 LYS A 75 10.425 11.621 -1.767 1.00 70.23 H new ATOM 0 HZ1 LYS A 75 11.675 10.444 -3.474 1.00 20.40 H new ATOM 0 HZ2 LYS A 75 10.560 9.415 -2.711 1.00 20.40 H new ATOM 0 HZ3 LYS A 75 10.234 10.019 -4.265 1.00 20.40 H new ATOM 1204 N GLN A 76 7.266 10.016 1.699 1.00 14.34 N ATOM 1205 CA GLN A 76 8.200 10.222 2.817 1.00 11.22 C ATOM 1206 C GLN A 76 8.190 9.029 3.787 1.00 33.32 C ATOM 1207 O GLN A 76 9.224 8.681 4.362 1.00 60.31 O ATOM 1208 CB GLN A 76 7.890 11.527 3.570 1.00 34.53 C ATOM 1209 CG GLN A 76 6.557 11.529 4.312 1.00 1.11 C ATOM 1210 CD GLN A 76 6.278 12.843 5.028 1.00 11.12 C ATOM 1211 OE1 GLN A 76 6.693 13.911 4.587 1.00 72.11 O ATOM 1212 NE2 GLN A 76 5.588 12.774 6.146 1.00 61.33 N ATOM 0 H GLN A 76 6.564 10.749 1.593 1.00 14.34 H new ATOM 0 HA GLN A 76 9.199 10.302 2.390 1.00 11.22 H new ATOM 0 HB2 GLN A 76 8.690 11.717 4.286 1.00 34.53 H new ATOM 0 HB3 GLN A 76 7.896 12.352 2.858 1.00 34.53 H new ATOM 0 HG2 GLN A 76 5.753 11.329 3.604 1.00 1.11 H new ATOM 0 HG3 GLN A 76 6.551 10.717 5.039 1.00 1.11 H new ATOM 0 HE21 GLN A 76 5.257 11.871 6.486 1.00 61.33 H new ATOM 0 HE22 GLN A 76 5.384 13.623 6.673 1.00 61.33 H new ATOM 1221 N LYS A 77 7.023 8.403 3.966 1.00 12.35 N ATOM 1222 CA LYS A 77 6.931 7.157 4.739 1.00 73.44 C ATOM 1223 C LYS A 77 7.817 6.057 4.121 1.00 32.03 C ATOM 1224 O LYS A 77 8.584 5.392 4.816 1.00 31.24 O ATOM 1225 CB LYS A 77 5.475 6.670 4.799 1.00 71.35 C ATOM 1226 CG LYS A 77 4.531 7.592 5.567 1.00 40.25 C ATOM 1227 CD LYS A 77 4.876 7.663 7.053 1.00 34.11 C ATOM 1228 CE LYS A 77 3.888 8.536 7.821 1.00 4.03 C ATOM 1229 NZ LYS A 77 4.229 8.636 9.268 1.00 61.11 N ATOM 0 H LYS A 77 6.134 8.734 3.590 1.00 12.35 H new ATOM 0 HA LYS A 77 7.284 7.364 5.749 1.00 73.44 H new ATOM 0 HB2 LYS A 77 5.102 6.554 3.782 1.00 71.35 H new ATOM 0 HB3 LYS A 77 5.454 5.683 5.261 1.00 71.35 H new ATOM 0 HG2 LYS A 77 4.574 8.593 5.138 1.00 40.25 H new ATOM 0 HG3 LYS A 77 3.506 7.239 5.450 1.00 40.25 H new ATOM 0 HD2 LYS A 77 4.877 6.658 7.475 1.00 34.11 H new ATOM 0 HD3 LYS A 77 5.884 8.061 7.174 1.00 34.11 H new ATOM 0 HE2 LYS A 77 3.872 9.534 7.384 1.00 4.03 H new ATOM 0 HE3 LYS A 77 2.884 8.125 7.714 1.00 4.03 H new ATOM 0 HZ1 LYS A 77 3.540 9.252 9.745 1.00 61.11 H new ATOM 0 HZ2 LYS A 77 4.202 7.689 9.697 1.00 61.11 H new ATOM 0 HZ3 LYS A 77 5.183 9.037 9.373 1.00 61.11 H new ATOM 1243 N LEU A 78 7.709 5.894 2.804 1.00 33.40 N ATOM 1244 CA LEU A 78 8.460 4.870 2.066 1.00 24.45 C ATOM 1245 C LEU A 78 9.971 5.178 2.027 1.00 63.32 C ATOM 1246 O LEU A 78 10.804 4.282 2.196 1.00 73.03 O ATOM 1247 CB LEU A 78 7.899 4.760 0.643 1.00 42.20 C ATOM 1248 CG LEU A 78 6.411 4.379 0.564 1.00 31.35 C ATOM 1249 CD1 LEU A 78 5.876 4.570 -0.850 1.00 73.35 C ATOM 1250 CD2 LEU A 78 6.203 2.941 1.034 1.00 3.41 C ATOM 0 H LEU A 78 7.101 6.464 2.216 1.00 33.40 H new ATOM 0 HA LEU A 78 8.342 3.919 2.585 1.00 24.45 H new ATOM 0 HB2 LEU A 78 8.043 5.714 0.136 1.00 42.20 H new ATOM 0 HB3 LEU A 78 8.479 4.018 0.095 1.00 42.20 H new ATOM 0 HG LEU A 78 5.852 5.041 1.226 1.00 31.35 H new ATOM 0 HD11 LEU A 78 4.822 4.294 -0.881 1.00 73.35 H new ATOM 0 HD12 LEU A 78 5.986 5.614 -1.143 1.00 73.35 H new ATOM 0 HD13 LEU A 78 6.436 3.939 -1.539 1.00 73.35 H new ATOM 0 HD21 LEU A 78 5.145 2.687 0.972 1.00 3.41 H new ATOM 0 HD22 LEU A 78 6.776 2.264 0.400 1.00 3.41 H new ATOM 0 HD23 LEU A 78 6.539 2.843 2.066 1.00 3.41 H new ATOM 1262 N GLU A 79 10.316 6.447 1.806 1.00 10.35 N ATOM 1263 CA GLU A 79 11.716 6.900 1.820 1.00 32.11 C ATOM 1264 C GLU A 79 12.399 6.526 3.145 1.00 43.14 C ATOM 1265 O GLU A 79 13.566 6.115 3.172 1.00 25.52 O ATOM 1266 CB GLU A 79 11.782 8.423 1.620 1.00 70.14 C ATOM 1267 CG GLU A 79 11.184 8.914 0.303 1.00 61.35 C ATOM 1268 CD GLU A 79 12.016 8.547 -0.920 1.00 23.44 C ATOM 1269 OE1 GLU A 79 13.249 8.758 -0.895 1.00 70.32 O ATOM 1270 OE2 GLU A 79 11.436 8.095 -1.928 1.00 63.04 O ATOM 0 H GLU A 79 9.642 7.188 1.613 1.00 10.35 H new ATOM 0 HA GLU A 79 12.240 6.404 1.004 1.00 32.11 H new ATOM 0 HB2 GLU A 79 11.260 8.908 2.445 1.00 70.14 H new ATOM 0 HB3 GLU A 79 12.824 8.739 1.672 1.00 70.14 H new ATOM 0 HG2 GLU A 79 10.184 8.496 0.190 1.00 61.35 H new ATOM 0 HG3 GLU A 79 11.074 9.998 0.345 1.00 61.35 H new ATOM 1277 N ALA A 80 11.654 6.666 4.241 1.00 33.21 N ATOM 1278 CA ALA A 80 12.145 6.307 5.575 1.00 72.15 C ATOM 1279 C ALA A 80 12.394 4.794 5.705 1.00 62.32 C ATOM 1280 O ALA A 80 13.179 4.356 6.550 1.00 22.45 O ATOM 1281 CB ALA A 80 11.151 6.771 6.635 1.00 60.41 C ATOM 0 H ALA A 80 10.701 7.028 4.232 1.00 33.21 H new ATOM 0 HA ALA A 80 13.100 6.810 5.726 1.00 72.15 H new ATOM 0 HB1 ALA A 80 11.521 6.501 7.624 1.00 60.41 H new ATOM 0 HB2 ALA A 80 11.033 7.853 6.574 1.00 60.41 H new ATOM 0 HB3 ALA A 80 10.187 6.291 6.465 1.00 60.41 H new ATOM 1287 N GLU A 81 11.728 4.005 4.862 1.00 21.21 N ATOM 1288 CA GLU A 81 11.857 2.539 4.886 1.00 44.13 C ATOM 1289 C GLU A 81 12.914 2.038 3.889 1.00 51.42 C ATOM 1290 O GLU A 81 13.168 0.836 3.790 1.00 73.44 O ATOM 1291 CB GLU A 81 10.501 1.889 4.567 1.00 43.31 C ATOM 1292 CG GLU A 81 9.343 2.436 5.394 1.00 73.50 C ATOM 1293 CD GLU A 81 9.434 2.075 6.868 1.00 14.44 C ATOM 1294 OE1 GLU A 81 10.280 2.650 7.584 1.00 32.20 O ATOM 1295 OE2 GLU A 81 8.655 1.213 7.318 1.00 63.33 O ATOM 0 H GLU A 81 11.089 4.355 4.148 1.00 21.21 H new ATOM 0 HA GLU A 81 12.181 2.255 5.887 1.00 44.13 H new ATOM 0 HB2 GLU A 81 10.280 2.034 3.510 1.00 43.31 H new ATOM 0 HB3 GLU A 81 10.577 0.814 4.732 1.00 43.31 H new ATOM 0 HG2 GLU A 81 9.315 3.521 5.294 1.00 73.50 H new ATOM 0 HG3 GLU A 81 8.405 2.054 4.991 1.00 73.50 H new ATOM 1302 N GLY A 82 13.525 2.958 3.147 1.00 31.10 N ATOM 1303 CA GLY A 82 14.524 2.575 2.150 1.00 0.41 C ATOM 1304 C GLY A 82 13.924 2.260 0.781 1.00 44.41 C ATOM 1305 O GLY A 82 14.547 1.583 -0.041 1.00 74.10 O ATOM 0 H GLY A 82 13.350 3.961 3.214 1.00 31.10 H new ATOM 0 HA2 GLY A 82 15.249 3.382 2.044 1.00 0.41 H new ATOM 0 HA3 GLY A 82 15.069 1.702 2.509 1.00 0.41 H new ATOM 1309 N ILE A 83 12.710 2.744 0.540 1.00 52.11 N ATOM 1310 CA ILE A 83 12.021 2.529 -0.737 1.00 70.41 C ATOM 1311 C ILE A 83 12.150 3.767 -1.640 1.00 3.22 C ATOM 1312 O ILE A 83 11.580 4.817 -1.350 1.00 15.51 O ATOM 1313 CB ILE A 83 10.521 2.205 -0.499 1.00 23.01 C ATOM 1314 CG1 ILE A 83 10.386 0.991 0.440 1.00 51.23 C ATOM 1315 CG2 ILE A 83 9.800 1.955 -1.825 1.00 1.01 C ATOM 1316 CD1 ILE A 83 8.959 0.663 0.834 1.00 62.42 C ATOM 0 H ILE A 83 12.176 3.292 1.215 1.00 52.11 H new ATOM 0 HA ILE A 83 12.491 1.681 -1.235 1.00 70.41 H new ATOM 0 HB ILE A 83 10.050 3.065 -0.024 1.00 23.01 H new ATOM 0 HG12 ILE A 83 10.826 0.120 -0.046 1.00 51.23 H new ATOM 0 HG13 ILE A 83 10.966 1.179 1.344 1.00 51.23 H new ATOM 0 HG21 ILE A 83 8.751 1.730 -1.632 1.00 1.01 H new ATOM 0 HG22 ILE A 83 9.871 2.844 -2.451 1.00 1.01 H new ATOM 0 HG23 ILE A 83 10.263 1.112 -2.338 1.00 1.01 H new ATOM 0 HD11 ILE A 83 8.954 -0.204 1.495 1.00 62.42 H new ATOM 0 HD12 ILE A 83 8.519 1.516 1.351 1.00 62.42 H new ATOM 0 HD13 ILE A 83 8.377 0.441 -0.060 1.00 62.42 H new ATOM 1328 N GLU A 84 12.913 3.638 -2.728 1.00 70.32 N ATOM 1329 CA GLU A 84 13.154 4.763 -3.641 1.00 42.22 C ATOM 1330 C GLU A 84 11.910 5.088 -4.490 1.00 0.43 C ATOM 1331 O GLU A 84 11.598 4.385 -5.453 1.00 41.23 O ATOM 1332 CB GLU A 84 14.346 4.451 -4.564 1.00 64.32 C ATOM 1333 CG GLU A 84 15.629 4.076 -3.823 1.00 55.33 C ATOM 1334 CD GLU A 84 16.791 3.807 -4.767 1.00 4.10 C ATOM 1335 OE1 GLU A 84 16.860 2.697 -5.338 1.00 75.14 O ATOM 1336 OE2 GLU A 84 17.638 4.710 -4.952 1.00 33.33 O ATOM 0 H GLU A 84 13.374 2.770 -3.000 1.00 70.32 H new ATOM 0 HA GLU A 84 13.382 5.637 -3.031 1.00 42.22 H new ATOM 0 HB2 GLU A 84 14.072 3.633 -5.230 1.00 64.32 H new ATOM 0 HB3 GLU A 84 14.543 5.320 -5.192 1.00 64.32 H new ATOM 0 HG2 GLU A 84 15.899 4.882 -3.140 1.00 55.33 H new ATOM 0 HG3 GLU A 84 15.447 3.190 -3.214 1.00 55.33 H new ATOM 1343 N VAL A 85 11.199 6.151 -4.118 1.00 13.50 N ATOM 1344 CA VAL A 85 10.008 6.589 -4.853 1.00 71.03 C ATOM 1345 C VAL A 85 10.337 7.744 -5.814 1.00 32.21 C ATOM 1346 O VAL A 85 10.887 8.766 -5.403 1.00 42.33 O ATOM 1347 CB VAL A 85 8.892 7.053 -3.883 1.00 74.25 C ATOM 1348 CG1 VAL A 85 7.592 7.330 -4.635 1.00 45.42 C ATOM 1349 CG2 VAL A 85 8.679 6.031 -2.767 1.00 53.40 C ATOM 0 H VAL A 85 11.426 6.729 -3.309 1.00 13.50 H new ATOM 0 HA VAL A 85 9.659 5.731 -5.427 1.00 71.03 H new ATOM 0 HB VAL A 85 9.213 7.987 -3.422 1.00 74.25 H new ATOM 0 HG11 VAL A 85 6.826 7.654 -3.930 1.00 45.42 H new ATOM 0 HG12 VAL A 85 7.759 8.113 -5.375 1.00 45.42 H new ATOM 0 HG13 VAL A 85 7.262 6.421 -5.138 1.00 45.42 H new ATOM 0 HG21 VAL A 85 7.891 6.380 -2.100 1.00 53.40 H new ATOM 0 HG22 VAL A 85 8.390 5.074 -3.201 1.00 53.40 H new ATOM 0 HG23 VAL A 85 9.604 5.909 -2.203 1.00 53.40 H new ATOM 1359 N SER A 86 9.988 7.586 -7.089 1.00 34.15 N ATOM 1360 CA SER A 86 10.251 8.620 -8.104 1.00 65.14 C ATOM 1361 C SER A 86 9.324 9.835 -7.941 1.00 40.24 C ATOM 1362 O SER A 86 8.237 9.722 -7.367 1.00 63.23 O ATOM 1363 CB SER A 86 10.096 8.042 -9.515 1.00 11.13 C ATOM 1364 OG SER A 86 10.370 9.018 -10.508 1.00 22.03 O ATOM 0 H SER A 86 9.522 6.754 -7.450 1.00 34.15 H new ATOM 0 HA SER A 86 11.278 8.956 -7.958 1.00 65.14 H new ATOM 0 HB2 SER A 86 10.771 7.195 -9.639 1.00 11.13 H new ATOM 0 HB3 SER A 86 9.082 7.663 -9.645 1.00 11.13 H new ATOM 0 HG SER A 86 10.264 8.619 -11.397 1.00 22.03 H new ATOM 1370 N GLU A 87 9.755 10.972 -8.503 1.00 62.53 N ATOM 1371 CA GLU A 87 9.109 12.293 -8.321 1.00 22.20 C ATOM 1372 C GLU A 87 7.564 12.260 -8.298 1.00 22.14 C ATOM 1373 O GLU A 87 6.944 12.725 -7.339 1.00 42.20 O ATOM 1374 CB GLU A 87 9.593 13.254 -9.422 1.00 14.11 C ATOM 1375 CG GLU A 87 9.376 12.726 -10.838 1.00 4.43 C ATOM 1376 CD GLU A 87 9.898 13.663 -11.914 1.00 52.24 C ATOM 1377 OE1 GLU A 87 11.085 13.549 -12.288 1.00 53.21 O ATOM 1378 OE2 GLU A 87 9.121 14.507 -12.401 1.00 43.11 O ATOM 0 H GLU A 87 10.575 11.008 -9.108 1.00 62.53 H new ATOM 0 HA GLU A 87 9.409 12.640 -7.332 1.00 22.20 H new ATOM 0 HB2 GLU A 87 9.073 14.206 -9.315 1.00 14.11 H new ATOM 0 HB3 GLU A 87 10.655 13.453 -9.277 1.00 14.11 H new ATOM 0 HG2 GLU A 87 9.869 11.759 -10.937 1.00 4.43 H new ATOM 0 HG3 GLU A 87 8.311 12.559 -10.997 1.00 4.43 H new ATOM 1385 N ILE A 88 6.942 11.714 -9.340 1.00 23.00 N ATOM 1386 CA ILE A 88 5.473 11.725 -9.462 1.00 5.31 C ATOM 1387 C ILE A 88 4.806 10.590 -8.664 1.00 32.22 C ATOM 1388 O ILE A 88 3.634 10.269 -8.872 1.00 10.05 O ATOM 1389 CB ILE A 88 5.034 11.677 -10.958 1.00 31.20 C ATOM 1390 CG1 ILE A 88 5.737 10.539 -11.737 1.00 4.43 C ATOM 1391 CG2 ILE A 88 5.301 13.024 -11.632 1.00 41.45 C ATOM 1392 CD1 ILE A 88 5.207 9.148 -11.448 1.00 53.42 C ATOM 0 H ILE A 88 7.424 11.258 -10.114 1.00 23.00 H new ATOM 0 HA ILE A 88 5.131 12.665 -9.028 1.00 5.31 H new ATOM 0 HB ILE A 88 3.964 11.470 -10.976 1.00 31.20 H new ATOM 0 HG12 ILE A 88 5.640 10.735 -12.805 1.00 4.43 H new ATOM 0 HG13 ILE A 88 6.802 10.562 -11.504 1.00 4.43 H new ATOM 0 HG21 ILE A 88 4.990 12.977 -12.676 1.00 41.45 H new ATOM 0 HG22 ILE A 88 4.738 13.805 -11.121 1.00 41.45 H new ATOM 0 HG23 ILE A 88 6.366 13.252 -11.581 1.00 41.45 H new ATOM 0 HD11 ILE A 88 5.760 8.418 -12.039 1.00 53.42 H new ATOM 0 HD12 ILE A 88 5.330 8.925 -10.388 1.00 53.42 H new ATOM 0 HD13 ILE A 88 4.150 9.100 -11.709 1.00 53.42 H new ATOM 1404 N GLY A 89 5.554 10.005 -7.733 1.00 44.13 N ATOM 1405 CA GLY A 89 5.040 8.907 -6.929 1.00 43.14 C ATOM 1406 C GLY A 89 5.087 7.566 -7.649 1.00 54.41 C ATOM 1407 O GLY A 89 4.082 6.866 -7.731 1.00 62.10 O ATOM 0 H GLY A 89 6.514 10.274 -7.519 1.00 44.13 H new ATOM 0 HA2 GLY A 89 5.618 8.838 -6.007 1.00 43.14 H new ATOM 0 HA3 GLY A 89 4.010 9.124 -6.644 1.00 43.14 H new ATOM 1411 N LYS A 90 6.256 7.199 -8.172 1.00 34.01 N ATOM 1412 CA LYS A 90 6.408 5.921 -8.895 1.00 64.33 C ATOM 1413 C LYS A 90 7.384 4.971 -8.180 1.00 63.13 C ATOM 1414 O LYS A 90 8.532 5.327 -7.916 1.00 25.11 O ATOM 1415 CB LYS A 90 6.881 6.179 -10.332 1.00 1.23 C ATOM 1416 CG LYS A 90 7.112 4.912 -11.152 1.00 72.23 C ATOM 1417 CD LYS A 90 7.654 5.235 -12.543 1.00 74.33 C ATOM 1418 CE LYS A 90 7.976 3.976 -13.340 1.00 12.32 C ATOM 1419 NZ LYS A 90 8.555 4.305 -14.667 1.00 42.33 N ATOM 0 H LYS A 90 7.108 7.757 -8.114 1.00 34.01 H new ATOM 0 HA LYS A 90 5.432 5.437 -8.916 1.00 64.33 H new ATOM 0 HB2 LYS A 90 6.141 6.798 -10.840 1.00 1.23 H new ATOM 0 HB3 LYS A 90 7.808 6.752 -10.300 1.00 1.23 H new ATOM 0 HG2 LYS A 90 7.814 4.262 -10.629 1.00 72.23 H new ATOM 0 HG3 LYS A 90 6.176 4.362 -11.244 1.00 72.23 H new ATOM 0 HD2 LYS A 90 6.921 5.831 -13.088 1.00 74.33 H new ATOM 0 HD3 LYS A 90 8.553 5.844 -12.449 1.00 74.33 H new ATOM 0 HE2 LYS A 90 8.677 3.358 -12.779 1.00 12.32 H new ATOM 0 HE3 LYS A 90 7.069 3.387 -13.474 1.00 12.32 H new ATOM 0 HZ1 LYS A 90 8.762 3.426 -15.183 1.00 42.33 H new ATOM 0 HZ2 LYS A 90 7.875 4.874 -15.211 1.00 42.33 H new ATOM 0 HZ3 LYS A 90 9.434 4.846 -14.538 1.00 42.33 H new ATOM 1433 N ILE A 91 6.920 3.755 -7.893 1.00 73.13 N ATOM 1434 CA ILE A 91 7.721 2.751 -7.181 1.00 34.14 C ATOM 1435 C ILE A 91 8.042 1.548 -8.084 1.00 21.23 C ATOM 1436 O ILE A 91 7.185 1.071 -8.831 1.00 1.22 O ATOM 1437 CB ILE A 91 6.971 2.241 -5.923 1.00 74.03 C ATOM 1438 CG1 ILE A 91 6.544 3.421 -5.034 1.00 70.50 C ATOM 1439 CG2 ILE A 91 7.840 1.255 -5.135 1.00 5.22 C ATOM 1440 CD1 ILE A 91 5.688 3.015 -3.853 1.00 13.22 C ATOM 0 H ILE A 91 5.984 3.436 -8.144 1.00 73.13 H new ATOM 0 HA ILE A 91 8.651 3.236 -6.885 1.00 34.14 H new ATOM 0 HB ILE A 91 6.074 1.715 -6.249 1.00 74.03 H new ATOM 0 HG12 ILE A 91 7.436 3.929 -4.667 1.00 70.50 H new ATOM 0 HG13 ILE A 91 5.993 4.140 -5.640 1.00 70.50 H new ATOM 0 HG21 ILE A 91 7.294 0.910 -4.257 1.00 5.22 H new ATOM 0 HG22 ILE A 91 8.087 0.402 -5.767 1.00 5.22 H new ATOM 0 HG23 ILE A 91 8.758 1.751 -4.820 1.00 5.22 H new ATOM 0 HD11 ILE A 91 5.426 3.900 -3.272 1.00 13.22 H new ATOM 0 HD12 ILE A 91 4.778 2.533 -4.212 1.00 13.22 H new ATOM 0 HD13 ILE A 91 6.243 2.319 -3.224 1.00 13.22 H new ATOM 1452 N ALA A 92 9.277 1.053 -8.010 1.00 53.32 N ATOM 1453 CA ALA A 92 9.674 -0.132 -8.773 1.00 34.34 C ATOM 1454 C ALA A 92 9.145 -1.418 -8.113 1.00 53.03 C ATOM 1455 O ALA A 92 9.797 -2.000 -7.241 1.00 42.23 O ATOM 1456 CB ALA A 92 11.194 -0.186 -8.911 1.00 30.13 C ATOM 0 H ALA A 92 10.018 1.451 -7.433 1.00 53.32 H new ATOM 0 HA ALA A 92 9.234 -0.061 -9.768 1.00 34.34 H new ATOM 0 HB1 ALA A 92 11.476 -1.072 -9.480 1.00 30.13 H new ATOM 0 HB2 ALA A 92 11.544 0.706 -9.430 1.00 30.13 H new ATOM 0 HB3 ALA A 92 11.648 -0.231 -7.921 1.00 30.13 H new ATOM 1462 N LEU A 93 7.964 -1.861 -8.542 1.00 63.45 N ATOM 1463 CA LEU A 93 7.331 -3.060 -7.980 1.00 55.23 C ATOM 1464 C LEU A 93 8.245 -4.286 -8.084 1.00 22.43 C ATOM 1465 O LEU A 93 8.468 -4.984 -7.102 1.00 62.54 O ATOM 1466 CB LEU A 93 5.990 -3.344 -8.680 1.00 14.03 C ATOM 1467 CG LEU A 93 4.859 -2.350 -8.365 1.00 65.20 C ATOM 1468 CD1 LEU A 93 3.618 -2.653 -9.204 1.00 53.35 C ATOM 1469 CD2 LEU A 93 4.521 -2.380 -6.874 1.00 44.32 C ATOM 0 H LEU A 93 7.423 -1.408 -9.279 1.00 63.45 H new ATOM 0 HA LEU A 93 7.149 -2.865 -6.923 1.00 55.23 H new ATOM 0 HB2 LEU A 93 6.156 -3.350 -9.757 1.00 14.03 H new ATOM 0 HB3 LEU A 93 5.659 -4.345 -8.402 1.00 14.03 H new ATOM 0 HG LEU A 93 5.204 -1.348 -8.622 1.00 65.20 H new ATOM 0 HD11 LEU A 93 2.832 -1.937 -8.963 1.00 53.35 H new ATOM 0 HD12 LEU A 93 3.867 -2.577 -10.262 1.00 53.35 H new ATOM 0 HD13 LEU A 93 3.268 -3.662 -8.985 1.00 53.35 H new ATOM 0 HD21 LEU A 93 3.719 -1.671 -6.668 1.00 44.32 H new ATOM 0 HD22 LEU A 93 4.199 -3.383 -6.594 1.00 44.32 H new ATOM 0 HD23 LEU A 93 5.404 -2.107 -6.295 1.00 44.32 H new ATOM 1481 N ARG A 94 8.799 -4.517 -9.270 1.00 43.35 N ATOM 1482 CA ARG A 94 9.637 -5.701 -9.523 1.00 44.13 C ATOM 1483 C ARG A 94 10.780 -5.856 -8.500 1.00 65.54 C ATOM 1484 O ARG A 94 11.296 -6.957 -8.301 1.00 61.13 O ATOM 1485 CB ARG A 94 10.205 -5.656 -10.947 1.00 34.43 C ATOM 1486 CG ARG A 94 9.131 -5.686 -12.028 1.00 22.40 C ATOM 1487 CD ARG A 94 9.730 -5.729 -13.429 1.00 43.30 C ATOM 1488 NE ARG A 94 8.698 -5.735 -14.466 1.00 73.12 N ATOM 1489 CZ ARG A 94 8.863 -6.237 -15.662 1.00 10.11 C ATOM 1490 NH1 ARG A 94 9.965 -6.839 -15.977 1.00 32.55 N ATOM 1491 NH2 ARG A 94 7.913 -6.155 -16.533 1.00 13.42 N ATOM 0 H ARG A 94 8.687 -3.903 -10.077 1.00 43.35 H new ATOM 0 HA ARG A 94 8.992 -6.573 -9.412 1.00 44.13 H new ATOM 0 HB2 ARG A 94 10.802 -4.752 -11.064 1.00 34.43 H new ATOM 0 HB3 ARG A 94 10.877 -6.502 -11.089 1.00 34.43 H new ATOM 0 HG2 ARG A 94 8.492 -6.557 -11.880 1.00 22.40 H new ATOM 0 HG3 ARG A 94 8.496 -4.805 -11.932 1.00 22.40 H new ATOM 0 HD2 ARG A 94 10.382 -4.867 -13.571 1.00 43.30 H new ATOM 0 HD3 ARG A 94 10.351 -6.619 -13.531 1.00 43.30 H new ATOM 0 HE ARG A 94 7.793 -5.322 -14.242 1.00 73.12 H new ATOM 0 HH11 ARG A 94 10.714 -6.925 -15.290 1.00 32.55 H new ATOM 0 HH12 ARG A 94 10.085 -7.227 -16.913 1.00 32.55 H new ATOM 0 HH21 ARG A 94 7.034 -5.699 -16.288 1.00 13.42 H new ATOM 0 HH22 ARG A 94 8.041 -6.546 -17.466 1.00 13.42 H new ATOM 1505 N LYS A 95 11.166 -4.763 -7.841 1.00 5.12 N ATOM 1506 CA LYS A 95 12.226 -4.816 -6.826 1.00 25.54 C ATOM 1507 C LYS A 95 11.658 -4.785 -5.392 1.00 64.14 C ATOM 1508 O LYS A 95 12.147 -5.489 -4.508 1.00 22.11 O ATOM 1509 CB LYS A 95 13.214 -3.653 -7.009 1.00 25.00 C ATOM 1510 CG LYS A 95 14.456 -3.788 -6.131 1.00 33.32 C ATOM 1511 CD LYS A 95 15.325 -2.535 -6.152 1.00 4.04 C ATOM 1512 CE LYS A 95 16.618 -2.743 -5.368 1.00 61.24 C ATOM 1513 NZ LYS A 95 16.364 -3.208 -3.975 1.00 40.24 N ATOM 0 H LYS A 95 10.766 -3.836 -7.988 1.00 5.12 H new ATOM 0 HA LYS A 95 12.747 -5.763 -6.965 1.00 25.54 H new ATOM 0 HB2 LYS A 95 13.518 -3.601 -8.055 1.00 25.00 H new ATOM 0 HB3 LYS A 95 12.711 -2.715 -6.777 1.00 25.00 H new ATOM 0 HG2 LYS A 95 14.151 -3.998 -5.106 1.00 33.32 H new ATOM 0 HG3 LYS A 95 15.045 -4.641 -6.469 1.00 33.32 H new ATOM 0 HD2 LYS A 95 15.561 -2.271 -7.183 1.00 4.04 H new ATOM 0 HD3 LYS A 95 14.770 -1.698 -5.727 1.00 4.04 H new ATOM 0 HE2 LYS A 95 17.241 -3.473 -5.885 1.00 61.24 H new ATOM 0 HE3 LYS A 95 17.178 -1.809 -5.341 1.00 61.24 H new ATOM 0 HZ1 LYS A 95 17.246 -3.158 -3.426 1.00 40.24 H new ATOM 0 HZ2 LYS A 95 15.645 -2.601 -3.532 1.00 40.24 H new ATOM 0 HZ3 LYS A 95 16.024 -4.191 -3.994 1.00 40.24 H new ATOM 1527 N TYR A 96 10.612 -3.985 -5.166 1.00 44.44 N ATOM 1528 CA TYR A 96 10.102 -3.749 -3.805 1.00 34.24 C ATOM 1529 C TYR A 96 8.840 -4.570 -3.515 1.00 0.23 C ATOM 1530 O TYR A 96 8.244 -4.438 -2.450 1.00 42.40 O ATOM 1531 CB TYR A 96 9.785 -2.260 -3.604 1.00 70.04 C ATOM 1532 CG TYR A 96 10.971 -1.337 -3.811 1.00 12.42 C ATOM 1533 CD1 TYR A 96 11.965 -1.220 -2.845 1.00 30.01 C ATOM 1534 CD2 TYR A 96 11.093 -0.577 -4.969 1.00 72.12 C ATOM 1535 CE1 TYR A 96 13.042 -0.374 -3.030 1.00 2.21 C ATOM 1536 CE2 TYR A 96 12.165 0.267 -5.160 1.00 45.32 C ATOM 1537 CZ TYR A 96 13.136 0.366 -4.189 1.00 3.22 C ATOM 1538 OH TYR A 96 14.204 1.210 -4.381 1.00 3.41 O ATOM 0 H TYR A 96 10.103 -3.492 -5.899 1.00 44.44 H new ATOM 0 HA TYR A 96 10.884 -4.063 -3.113 1.00 34.24 H new ATOM 0 HB2 TYR A 96 8.991 -1.973 -4.294 1.00 70.04 H new ATOM 0 HB3 TYR A 96 9.399 -2.116 -2.595 1.00 70.04 H new ATOM 0 HD1 TYR A 96 11.894 -1.799 -1.936 1.00 30.01 H new ATOM 0 HD2 TYR A 96 10.333 -0.650 -5.733 1.00 72.12 H new ATOM 0 HE1 TYR A 96 13.806 -0.293 -2.271 1.00 2.21 H new ATOM 0 HE2 TYR A 96 12.243 0.848 -6.067 1.00 45.32 H new ATOM 0 HH TYR A 96 14.250 1.469 -5.325 1.00 3.41 H new ATOM 1548 N LYS A 97 8.437 -5.410 -4.458 1.00 51.53 N ATOM 1549 CA LYS A 97 7.192 -6.166 -4.339 1.00 1.45 C ATOM 1550 C LYS A 97 7.186 -7.070 -3.094 1.00 71.42 C ATOM 1551 O LYS A 97 8.208 -7.655 -2.728 1.00 71.42 O ATOM 1552 CB LYS A 97 6.978 -7.005 -5.601 1.00 51.33 C ATOM 1553 CG LYS A 97 5.558 -7.520 -5.770 1.00 45.34 C ATOM 1554 CD LYS A 97 5.393 -8.259 -7.092 1.00 70.13 C ATOM 1555 CE LYS A 97 4.013 -8.892 -7.227 1.00 53.33 C ATOM 1556 NZ LYS A 97 2.918 -7.886 -7.139 1.00 43.11 N ATOM 0 H LYS A 97 8.955 -5.588 -5.319 1.00 51.53 H new ATOM 0 HA LYS A 97 6.375 -5.453 -4.227 1.00 1.45 H new ATOM 0 HB2 LYS A 97 7.242 -6.405 -6.472 1.00 51.33 H new ATOM 0 HB3 LYS A 97 7.661 -7.854 -5.580 1.00 51.33 H new ATOM 0 HG2 LYS A 97 5.310 -8.187 -4.944 1.00 45.34 H new ATOM 0 HG3 LYS A 97 4.858 -6.685 -5.727 1.00 45.34 H new ATOM 0 HD2 LYS A 97 5.555 -7.566 -7.917 1.00 70.13 H new ATOM 0 HD3 LYS A 97 6.156 -9.033 -7.172 1.00 70.13 H new ATOM 0 HE2 LYS A 97 3.947 -9.415 -8.181 1.00 53.33 H new ATOM 0 HE3 LYS A 97 3.880 -9.639 -6.445 1.00 53.33 H new ATOM 0 HZ1 LYS A 97 2.179 -8.116 -7.833 1.00 43.11 H new ATOM 0 HZ2 LYS A 97 2.511 -7.899 -6.182 1.00 43.11 H new ATOM 0 HZ3 LYS A 97 3.299 -6.940 -7.340 1.00 43.11 H new ATOM 1570 N TRP A 98 6.030 -7.163 -2.445 1.00 23.42 N ATOM 1571 CA TRP A 98 5.869 -8.011 -1.263 1.00 61.11 C ATOM 1572 C TRP A 98 6.143 -9.487 -1.590 1.00 12.41 C ATOM 1573 O TRP A 98 5.464 -10.095 -2.420 1.00 25.41 O ATOM 1574 CB TRP A 98 4.459 -7.837 -0.683 1.00 44.01 C ATOM 1575 CG TRP A 98 4.136 -8.773 0.449 1.00 72.33 C ATOM 1576 CD1 TRP A 98 5.008 -9.325 1.345 1.00 3.14 C ATOM 1577 CD2 TRP A 98 2.839 -9.250 0.807 1.00 43.32 C ATOM 1578 NE1 TRP A 98 4.331 -10.130 2.226 1.00 23.14 N ATOM 1579 CE2 TRP A 98 2.996 -10.097 1.918 1.00 53.41 C ATOM 1580 CE3 TRP A 98 1.558 -9.046 0.292 1.00 35.21 C ATOM 1581 CZ2 TRP A 98 1.923 -10.740 2.522 1.00 13.31 C ATOM 1582 CZ3 TRP A 98 0.491 -9.681 0.896 1.00 60.21 C ATOM 1583 CH2 TRP A 98 0.681 -10.522 2.001 1.00 41.34 C ATOM 0 H TRP A 98 5.185 -6.660 -2.717 1.00 23.42 H new ATOM 0 HA TRP A 98 6.601 -7.700 -0.517 1.00 61.11 H new ATOM 0 HB2 TRP A 98 4.347 -6.811 -0.334 1.00 44.01 H new ATOM 0 HB3 TRP A 98 3.730 -7.984 -1.480 1.00 44.01 H new ATOM 0 HD1 TRP A 98 6.074 -9.153 1.358 1.00 3.14 H new ATOM 0 HE1 TRP A 98 4.752 -10.665 2.985 1.00 23.14 H new ATOM 0 HE3 TRP A 98 1.404 -8.404 -0.563 1.00 35.21 H new ATOM 0 HZ2 TRP A 98 2.067 -11.389 3.373 1.00 13.31 H new ATOM 0 HZ3 TRP A 98 -0.506 -9.527 0.511 1.00 60.21 H new ATOM 0 HH2 TRP A 98 -0.173 -11.007 2.449 1.00 41.34 H new ATOM 1594 N GLN A 99 7.142 -10.052 -0.919 1.00 70.25 N ATOM 1595 CA GLN A 99 7.550 -11.440 -1.141 1.00 12.22 C ATOM 1596 C GLN A 99 7.384 -12.283 0.139 1.00 4.13 C ATOM 1597 O GLN A 99 8.285 -12.346 0.974 1.00 24.31 O ATOM 1598 CB GLN A 99 9.008 -11.460 -1.614 1.00 13.03 C ATOM 1599 CG GLN A 99 9.239 -10.724 -2.933 1.00 53.21 C ATOM 1600 CD GLN A 99 10.698 -10.379 -3.159 1.00 11.33 C ATOM 1601 OE1 GLN A 99 11.443 -10.136 -2.216 1.00 74.52 O ATOM 1602 NE2 GLN A 99 11.117 -10.342 -4.406 1.00 43.50 N ATOM 0 H GLN A 99 7.690 -9.566 -0.209 1.00 70.25 H new ATOM 0 HA GLN A 99 6.909 -11.881 -1.905 1.00 12.22 H new ATOM 0 HB2 GLN A 99 9.636 -11.012 -0.844 1.00 13.03 H new ATOM 0 HB3 GLN A 99 9.330 -12.495 -1.725 1.00 13.03 H new ATOM 0 HG2 GLN A 99 8.884 -11.342 -3.757 1.00 53.21 H new ATOM 0 HG3 GLN A 99 8.647 -9.809 -2.943 1.00 53.21 H new ATOM 0 HE21 GLN A 99 10.471 -10.550 -5.167 1.00 43.50 H new ATOM 0 HE22 GLN A 99 12.088 -10.106 -4.611 1.00 43.50 H new ATOM 1611 N PRO A 100 6.207 -12.917 0.329 1.00 35.02 N ATOM 1612 CA PRO A 100 5.940 -13.769 1.501 1.00 21.22 C ATOM 1613 C PRO A 100 6.498 -15.197 1.357 1.00 61.31 C ATOM 1614 O PRO A 100 6.484 -15.980 2.309 1.00 34.31 O ATOM 1615 CB PRO A 100 4.408 -13.786 1.548 1.00 13.21 C ATOM 1616 CG PRO A 100 3.996 -13.697 0.115 1.00 5.52 C ATOM 1617 CD PRO A 100 5.033 -12.835 -0.569 1.00 53.24 C ATOM 0 HA PRO A 100 6.419 -13.390 2.404 1.00 21.22 H new ATOM 0 HB2 PRO A 100 4.034 -14.698 2.014 1.00 13.21 H new ATOM 0 HB3 PRO A 100 4.018 -12.949 2.127 1.00 13.21 H new ATOM 0 HG2 PRO A 100 3.951 -14.687 -0.339 1.00 5.52 H new ATOM 0 HG3 PRO A 100 3.002 -13.258 0.022 1.00 5.52 H new ATOM 0 HD2 PRO A 100 5.266 -13.206 -1.567 1.00 53.24 H new ATOM 0 HD3 PRO A 100 4.687 -11.808 -0.683 1.00 53.24 H new