USER MOD reduce.3.24.130724 H: found=0, std=0, add=1438, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1440 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: B 10 ASN : amide:sc= -0.377 K(o=0.071,f=-2.7!) USER MOD Set 1.2: B 85 SER OG : rot 160:sc= 0.448 USER MOD Set 2.1: A 28 CYS SG : rot 153:sc= -0.756 USER MOD Set 2.2: B 28 CYS SG : rot 80:sc= 0.6 USER MOD Set 3.1: B 19 ASN : amide:sc= -0.0107 K(o=-0.011,f=-1.5!) USER MOD Set 3.2: B 52 SER OG : rot 180:sc= 0 USER MOD Set 4.1: B 16 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: B 53 HIS : no HE2:sc= 0.18 K(o=0.18,f=-0.85) USER MOD Set 5.1: A 16 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 53 HIS : no HE2:sc= 0.219 K(o=0.22,f=-1) USER MOD Set 6.1: A 19 ASN : amide:sc= -0.0263 K(o=-0.026,f=-1.8!) USER MOD Set 6.2: A 52 SER OG : rot 180:sc= 0 USER MOD Set 7.1: A 10 ASN : amide:sc= -0.758 K(o=-0.27,f=-2.6!) USER MOD Set 7.2: A 85 SER OG : rot 155:sc= 0.492 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 20 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-0.37) USER MOD Single : A 24 MET CE :methyl 177:sc= -1.17 (180deg=-1.18) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0313 USER MOD Single : A 26 HIS : no HD1:sc= -0.0194 K(o=-0.019,f=-1.9) USER MOD Single : A 37 ASN : amide:sc= -0.867! C(o=-0.87!,f=-5.2!) USER MOD Single : A 43 CYS SG : rot -106:sc= -0.842 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 49 SER OG : rot 85:sc= 0.359 USER MOD Single : A 51 LYS NZ :NH3+ 177:sc= -0.801 (180deg=-0.826) USER MOD Single : A 59 ASN : amide:sc= 1.01 K(o=1,f=-4.2!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 GLN : amide:sc= -0.261 X(o=-0.26,f=0) USER MOD Single : A 67 MET CE :methyl -116:sc= -0.147 (180deg=-2.64!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -3.62! K(o=-3.6!,f=-0.81) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.439 X(o=-0.44,f=0) USER MOD Single : A 83 ASN : amide:sc= -0.603 K(o=-0.6,f=-0.025) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 HIS : no HD1:sc= -1.64 K(o=-1.6,f=-0.5) USER MOD Single : B 24 MET CE :methyl -172:sc= -0.486 (180deg=-0.679) USER MOD Single : B 25 THR OG1 : rot 180:sc= -0.0276 USER MOD Single : B 26 HIS : no HD1:sc= -0.0136 K(o=-0.014,f=-2) USER MOD Single : B 37 ASN : amide:sc= -0.504! C(o=-0.5!,f=-5.6!) USER MOD Single : B 43 CYS SG : rot -100:sc= -0.834 USER MOD Single : B 47 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : B 49 SER OG : rot 81:sc= 0.18 USER MOD Single : B 51 LYS NZ :NH3+ 179:sc= -0.757 (180deg=-0.787) USER MOD Single : B 59 ASN : amide:sc= 0.969 K(o=0.97,f=-4.2!) USER MOD Single : B 62 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : B 66 GLN : amide:sc= -0.244 X(o=-0.24,f=0) USER MOD Single : B 67 MET CE :methyl -117:sc= -0.296 (180deg=-2.86!) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 70 GLN : amide:sc= -3.81! K(o=-3.8!,f=-0.89) USER MOD Single : B 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 81 GLN : amide:sc= -0.552 K(o=-0.55,f=0) USER MOD Single : B 83 ASN : amide:sc= -0.772 K(o=-0.77,f=-0.066) USER MOD Single : B 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 88 THR OG1 : rot 180:sc= 0 USER MOD Single : B 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 91 ASN : amide:sc= -0.407 X(o=-0.41,f=0) USER MOD Single : B 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N HIS A 8 14.721 -3.178 -12.722 1.00 40.43 N ATOM 98 CA HIS A 8 14.937 -1.802 -12.240 1.00 4.11 C ATOM 99 C HIS A 8 14.084 -0.826 -13.068 1.00 13.24 C ATOM 100 O HIS A 8 14.394 0.372 -13.160 1.00 63.43 O ATOM 101 CB HIS A 8 16.446 -1.428 -12.295 1.00 23.12 C ATOM 102 CG HIS A 8 17.058 -1.487 -13.674 1.00 71.14 C ATOM 103 ND1 HIS A 8 17.104 -0.402 -14.523 1.00 1.53 N ATOM 104 CD2 HIS A 8 17.637 -2.508 -14.351 1.00 50.44 C ATOM 105 CE1 HIS A 8 17.672 -0.755 -15.655 1.00 2.34 C ATOM 106 NE2 HIS A 8 18.007 -2.025 -15.578 1.00 54.33 N ATOM 0 HA HIS A 8 14.626 -1.734 -11.198 1.00 4.11 H new ATOM 0 HB2 HIS A 8 16.572 -0.420 -11.899 1.00 23.12 H new ATOM 0 HB3 HIS A 8 16.998 -2.100 -11.638 1.00 23.12 H new ATOM 0 HD2 HIS A 8 17.780 -3.516 -13.990 1.00 50.44 H new ATOM 0 HE1 HIS A 8 17.836 -0.110 -16.506 1.00 2.34 H new ATOM 0 HE2 HIS A 8 18.467 -2.562 -16.313 1.00 54.33 H new ATOM 115 N ASP A 9 12.991 -1.366 -13.648 1.00 14.15 N ATOM 116 CA ASP A 9 12.002 -0.584 -14.407 1.00 1.44 C ATOM 117 C ASP A 9 11.264 0.360 -13.448 1.00 21.51 C ATOM 118 O ASP A 9 11.059 1.541 -13.742 1.00 13.45 O ATOM 119 CB ASP A 9 11.006 -1.535 -15.124 1.00 65.02 C ATOM 120 CG ASP A 9 9.994 -0.787 -16.015 1.00 2.31 C ATOM 121 OD1 ASP A 9 8.921 -0.378 -15.519 1.00 51.21 O ATOM 122 OD2 ASP A 9 10.281 -0.587 -17.218 1.00 64.14 O ATOM 0 H ASP A 9 12.772 -2.361 -13.600 1.00 14.15 H new ATOM 0 HA ASP A 9 12.507 0.010 -15.169 1.00 1.44 H new ATOM 0 HB2 ASP A 9 11.565 -2.244 -15.735 1.00 65.02 H new ATOM 0 HB3 ASP A 9 10.465 -2.115 -14.377 1.00 65.02 H new ATOM 127 N ASN A 10 10.884 -0.187 -12.284 1.00 53.04 N ATOM 128 CA ASN A 10 10.305 0.596 -11.188 1.00 45.15 C ATOM 129 C ASN A 10 11.421 1.148 -10.282 1.00 21.54 C ATOM 130 O ASN A 10 12.592 0.762 -10.403 1.00 75.13 O ATOM 131 CB ASN A 10 9.257 -0.237 -10.380 1.00 21.24 C ATOM 132 CG ASN A 10 9.784 -1.520 -9.730 1.00 54.45 C ATOM 133 OD1 ASN A 10 10.954 -1.652 -9.415 1.00 45.52 O ATOM 134 ND2 ASN A 10 8.902 -2.469 -9.494 1.00 20.03 N ATOM 0 H ASN A 10 10.970 -1.182 -12.078 1.00 53.04 H new ATOM 0 HA ASN A 10 9.768 1.443 -11.615 1.00 45.15 H new ATOM 0 HB2 ASN A 10 8.840 0.399 -9.599 1.00 21.24 H new ATOM 0 HB3 ASN A 10 8.437 -0.501 -11.048 1.00 21.24 H new ATOM 0 HD21 ASN A 10 9.193 -3.334 -9.040 1.00 20.03 H new ATOM 0 HD22 ASN A 10 7.928 -2.339 -9.766 1.00 20.03 H new ATOM 141 N VAL A 11 11.038 2.053 -9.380 1.00 22.51 N ATOM 142 CA VAL A 11 11.935 2.682 -8.401 1.00 13.41 C ATOM 143 C VAL A 11 11.330 2.474 -7.011 1.00 62.02 C ATOM 144 O VAL A 11 10.099 2.470 -6.858 1.00 10.30 O ATOM 145 CB VAL A 11 12.186 4.221 -8.693 1.00 74.41 C ATOM 146 CG1 VAL A 11 13.013 4.411 -9.987 1.00 25.10 C ATOM 147 CG2 VAL A 11 10.858 5.019 -8.770 1.00 42.34 C ATOM 0 H VAL A 11 10.074 2.378 -9.306 1.00 22.51 H new ATOM 0 HA VAL A 11 12.916 2.212 -8.468 1.00 13.41 H new ATOM 0 HB VAL A 11 12.759 4.618 -7.855 1.00 74.41 H new ATOM 0 HG11 VAL A 11 13.171 5.475 -10.165 1.00 25.10 H new ATOM 0 HG12 VAL A 11 13.977 3.914 -9.879 1.00 25.10 H new ATOM 0 HG13 VAL A 11 12.474 3.979 -10.830 1.00 25.10 H new ATOM 0 HG21 VAL A 11 11.075 6.068 -8.971 1.00 42.34 H new ATOM 0 HG22 VAL A 11 10.238 4.617 -9.571 1.00 42.34 H new ATOM 0 HG23 VAL A 11 10.327 4.934 -7.822 1.00 42.34 H new ATOM 157 N ILE A 12 12.211 2.268 -6.024 1.00 0.43 N ATOM 158 CA ILE A 12 11.841 1.864 -4.657 1.00 40.02 C ATOM 159 C ILE A 12 11.792 3.113 -3.748 1.00 4.45 C ATOM 160 O ILE A 12 12.812 3.546 -3.208 1.00 35.24 O ATOM 161 CB ILE A 12 12.887 0.813 -4.114 1.00 41.02 C ATOM 162 CG1 ILE A 12 13.086 -0.363 -5.104 1.00 54.43 C ATOM 163 CG2 ILE A 12 12.495 0.266 -2.741 1.00 41.55 C ATOM 164 CD1 ILE A 12 11.896 -1.279 -5.291 1.00 43.23 C ATOM 0 H ILE A 12 13.217 2.378 -6.152 1.00 0.43 H new ATOM 0 HA ILE A 12 10.856 1.398 -4.661 1.00 40.02 H new ATOM 0 HB ILE A 12 13.830 1.351 -4.013 1.00 41.02 H new ATOM 0 HG12 ILE A 12 13.360 0.048 -6.076 1.00 54.43 H new ATOM 0 HG13 ILE A 12 13.930 -0.961 -4.762 1.00 54.43 H new ATOM 0 HG21 ILE A 12 13.244 -0.453 -2.408 1.00 41.55 H new ATOM 0 HG22 ILE A 12 12.437 1.086 -2.026 1.00 41.55 H new ATOM 0 HG23 ILE A 12 11.525 -0.226 -2.809 1.00 41.55 H new ATOM 0 HD11 ILE A 12 12.149 -2.064 -6.004 1.00 43.23 H new ATOM 0 HD12 ILE A 12 11.630 -1.730 -4.335 1.00 43.23 H new ATOM 0 HD13 ILE A 12 11.050 -0.704 -5.669 1.00 43.23 H new ATOM 176 N LEU A 13 10.606 3.719 -3.630 1.00 73.54 N ATOM 177 CA LEU A 13 10.431 4.988 -2.892 1.00 12.22 C ATOM 178 C LEU A 13 9.808 4.733 -1.519 1.00 32.41 C ATOM 179 O LEU A 13 8.605 4.496 -1.428 1.00 44.13 O ATOM 180 CB LEU A 13 9.538 5.952 -3.713 1.00 12.34 C ATOM 181 CG LEU A 13 9.994 6.210 -5.177 1.00 64.04 C ATOM 182 CD1 LEU A 13 9.003 7.128 -5.898 1.00 71.12 C ATOM 183 CD2 LEU A 13 11.432 6.778 -5.234 1.00 41.44 C ATOM 0 H LEU A 13 9.745 3.354 -4.036 1.00 73.54 H new ATOM 0 HA LEU A 13 11.410 5.444 -2.744 1.00 12.22 H new ATOM 0 HB2 LEU A 13 8.525 5.551 -3.733 1.00 12.34 H new ATOM 0 HB3 LEU A 13 9.492 6.908 -3.192 1.00 12.34 H new ATOM 0 HG LEU A 13 10.007 5.252 -5.696 1.00 64.04 H new ATOM 0 HD11 LEU A 13 9.340 7.296 -6.921 1.00 71.12 H new ATOM 0 HD12 LEU A 13 8.019 6.660 -5.913 1.00 71.12 H new ATOM 0 HD13 LEU A 13 8.944 8.082 -5.374 1.00 71.12 H new ATOM 0 HD21 LEU A 13 11.716 6.946 -6.273 1.00 41.44 H new ATOM 0 HD22 LEU A 13 11.472 7.722 -4.690 1.00 41.44 H new ATOM 0 HD23 LEU A 13 12.122 6.067 -4.779 1.00 41.44 H new ATOM 195 N GLU A 14 10.626 4.777 -0.451 1.00 14.25 N ATOM 196 CA GLU A 14 10.118 4.629 0.924 1.00 50.22 C ATOM 197 C GLU A 14 9.721 5.987 1.496 1.00 50.24 C ATOM 198 O GLU A 14 10.542 6.903 1.631 1.00 11.35 O ATOM 199 CB GLU A 14 11.125 3.925 1.866 1.00 54.40 C ATOM 200 CG GLU A 14 12.537 4.499 1.853 1.00 31.54 C ATOM 201 CD GLU A 14 13.507 3.720 2.743 1.00 43.43 C ATOM 202 OE1 GLU A 14 13.538 3.974 3.968 1.00 41.32 O ATOM 203 OE2 GLU A 14 14.245 2.852 2.219 1.00 60.31 O ATOM 0 H GLU A 14 11.635 4.913 -0.514 1.00 14.25 H new ATOM 0 HA GLU A 14 9.238 3.988 0.864 1.00 50.22 H new ATOM 0 HB2 GLU A 14 10.740 3.973 2.885 1.00 54.40 H new ATOM 0 HB3 GLU A 14 11.176 2.871 1.594 1.00 54.40 H new ATOM 0 HG2 GLU A 14 12.913 4.501 0.830 1.00 31.54 H new ATOM 0 HG3 GLU A 14 12.504 5.537 2.183 1.00 31.54 H new ATOM 210 N LEU A 15 8.434 6.117 1.775 1.00 0.12 N ATOM 211 CA LEU A 15 7.884 7.247 2.499 1.00 5.04 C ATOM 212 C LEU A 15 7.773 6.848 3.967 1.00 32.31 C ATOM 213 O LEU A 15 7.000 5.956 4.318 1.00 64.51 O ATOM 214 CB LEU A 15 6.506 7.664 1.906 1.00 11.05 C ATOM 215 CG LEU A 15 6.553 8.515 0.592 1.00 54.34 C ATOM 216 CD1 LEU A 15 7.230 9.873 0.835 1.00 4.14 C ATOM 217 CD2 LEU A 15 7.207 7.763 -0.593 1.00 73.13 C ATOM 0 H LEU A 15 7.733 5.429 1.500 1.00 0.12 H new ATOM 0 HA LEU A 15 8.535 8.116 2.406 1.00 5.04 H new ATOM 0 HB2 LEU A 15 5.929 6.760 1.710 1.00 11.05 H new ATOM 0 HB3 LEU A 15 5.964 8.230 2.663 1.00 11.05 H new ATOM 0 HG LEU A 15 5.517 8.696 0.304 1.00 54.34 H new ATOM 0 HD11 LEU A 15 7.248 10.442 -0.095 1.00 4.14 H new ATOM 0 HD12 LEU A 15 6.672 10.428 1.589 1.00 4.14 H new ATOM 0 HD13 LEU A 15 8.251 9.714 1.183 1.00 4.14 H new ATOM 0 HD21 LEU A 15 7.210 8.405 -1.474 1.00 73.13 H new ATOM 0 HD22 LEU A 15 8.232 7.497 -0.334 1.00 73.13 H new ATOM 0 HD23 LEU A 15 6.640 6.857 -0.806 1.00 73.13 H new ATOM 229 N THR A 16 8.574 7.497 4.810 1.00 42.22 N ATOM 230 CA THR A 16 8.518 7.335 6.256 1.00 50.12 C ATOM 231 C THR A 16 7.443 8.284 6.773 1.00 52.43 C ATOM 232 O THR A 16 7.624 9.495 6.740 1.00 61.12 O ATOM 233 CB THR A 16 9.885 7.672 6.927 1.00 70.44 C ATOM 234 OG1 THR A 16 10.904 6.775 6.444 1.00 41.04 O ATOM 235 CG2 THR A 16 9.796 7.603 8.468 1.00 44.23 C ATOM 0 H THR A 16 9.288 8.157 4.501 1.00 42.22 H new ATOM 0 HA THR A 16 8.289 6.298 6.500 1.00 50.12 H new ATOM 0 HB THR A 16 10.148 8.695 6.658 1.00 70.44 H new ATOM 0 HG1 THR A 16 11.760 6.993 6.868 1.00 41.04 H new ATOM 0 HG21 THR A 16 10.767 7.844 8.900 1.00 44.23 H new ATOM 0 HG22 THR A 16 9.054 8.319 8.822 1.00 44.23 H new ATOM 0 HG23 THR A 16 9.504 6.598 8.771 1.00 44.23 H new ATOM 243 N VAL A 17 6.304 7.724 7.181 1.00 34.12 N ATOM 244 CA VAL A 17 5.118 8.495 7.557 1.00 64.44 C ATOM 245 C VAL A 17 4.627 8.063 8.936 1.00 44.43 C ATOM 246 O VAL A 17 4.790 6.911 9.320 1.00 60.53 O ATOM 247 CB VAL A 17 3.958 8.309 6.502 1.00 41.50 C ATOM 248 CG1 VAL A 17 4.466 8.464 5.047 1.00 54.53 C ATOM 249 CG2 VAL A 17 3.196 6.965 6.687 1.00 12.22 C ATOM 0 H VAL A 17 6.177 6.715 7.261 1.00 34.12 H new ATOM 0 HA VAL A 17 5.397 9.548 7.581 1.00 64.44 H new ATOM 0 HB VAL A 17 3.246 9.112 6.691 1.00 41.50 H new ATOM 0 HG11 VAL A 17 3.635 8.328 4.355 1.00 54.53 H new ATOM 0 HG12 VAL A 17 4.890 9.459 4.914 1.00 54.53 H new ATOM 0 HG13 VAL A 17 5.231 7.714 4.847 1.00 54.53 H new ATOM 0 HG21 VAL A 17 2.409 6.887 5.937 1.00 12.22 H new ATOM 0 HG22 VAL A 17 3.891 6.134 6.572 1.00 12.22 H new ATOM 0 HG23 VAL A 17 2.753 6.932 7.682 1.00 12.22 H new ATOM 259 N ARG A 18 4.021 8.984 9.675 1.00 44.40 N ATOM 260 CA ARG A 18 3.269 8.651 10.898 1.00 55.41 C ATOM 261 C ARG A 18 1.773 8.652 10.553 1.00 4.53 C ATOM 262 O ARG A 18 1.351 9.404 9.662 1.00 10.33 O ATOM 263 CB ARG A 18 3.630 9.626 12.047 1.00 1.22 C ATOM 264 CG ARG A 18 3.476 11.127 11.737 1.00 71.20 C ATOM 265 CD ARG A 18 4.070 12.006 12.851 1.00 21.32 C ATOM 266 NE ARG A 18 3.498 11.700 14.180 1.00 3.25 N ATOM 267 CZ ARG A 18 4.074 12.000 15.361 1.00 32.24 C ATOM 268 NH1 ARG A 18 5.252 12.621 15.411 1.00 32.43 N ATOM 269 NH2 ARG A 18 3.463 11.673 16.491 1.00 51.44 N ATOM 0 H ARG A 18 4.031 9.979 9.453 1.00 44.40 H new ATOM 0 HA ARG A 18 3.537 7.659 11.261 1.00 55.41 H new ATOM 0 HB2 ARG A 18 3.005 9.388 12.908 1.00 1.22 H new ATOM 0 HB3 ARG A 18 4.663 9.441 12.342 1.00 1.22 H new ATOM 0 HG2 ARG A 18 3.970 11.355 10.792 1.00 71.20 H new ATOM 0 HG3 ARG A 18 2.420 11.365 11.611 1.00 71.20 H new ATOM 0 HD2 ARG A 18 5.150 11.865 12.883 1.00 21.32 H new ATOM 0 HD3 ARG A 18 3.892 13.055 12.615 1.00 21.32 H new ATOM 0 HE ARG A 18 2.596 11.224 14.205 1.00 3.25 H new ATOM 0 HH11 ARG A 18 5.731 12.876 14.547 1.00 32.43 H new ATOM 0 HH12 ARG A 18 5.675 12.841 16.313 1.00 32.43 H new ATOM 0 HH21 ARG A 18 2.561 11.197 16.464 1.00 51.44 H new ATOM 0 HH22 ARG A 18 3.894 11.898 17.388 1.00 51.44 H new ATOM 283 N ASN A 19 0.986 7.790 11.238 1.00 73.42 N ATOM 284 CA ASN A 19 -0.410 7.470 10.857 1.00 2.33 C ATOM 285 C ASN A 19 -1.376 8.645 11.125 1.00 75.23 C ATOM 286 O ASN A 19 -2.001 8.751 12.185 1.00 35.45 O ATOM 287 CB ASN A 19 -0.902 6.158 11.546 1.00 2.35 C ATOM 288 CG ASN A 19 -0.172 4.896 11.057 1.00 1.31 C ATOM 289 OD1 ASN A 19 1.008 4.938 10.698 1.00 24.31 O ATOM 290 ND2 ASN A 19 -0.872 3.765 11.031 1.00 12.23 N ATOM 0 H ASN A 19 1.302 7.296 12.072 1.00 73.42 H new ATOM 0 HA ASN A 19 -0.412 7.301 9.780 1.00 2.33 H new ATOM 0 HB2 ASN A 19 -0.768 6.251 12.624 1.00 2.35 H new ATOM 0 HB3 ASN A 19 -1.971 6.042 11.367 1.00 2.35 H new ATOM 0 HD21 ASN A 19 -0.435 2.902 10.708 1.00 12.23 H new ATOM 0 HD22 ASN A 19 -1.846 3.761 11.334 1.00 12.23 H new ATOM 297 N HIS A 20 -1.403 9.553 10.144 1.00 53.52 N ATOM 298 CA HIS A 20 -2.423 10.609 9.983 1.00 0.33 C ATOM 299 C HIS A 20 -3.675 10.014 9.286 1.00 20.52 C ATOM 300 O HIS A 20 -3.576 8.941 8.673 1.00 13.44 O ATOM 301 CB HIS A 20 -1.835 11.777 9.131 1.00 42.11 C ATOM 302 CG HIS A 20 -0.845 12.644 9.850 1.00 64.22 C ATOM 303 ND1 HIS A 20 -0.964 14.011 9.937 1.00 74.41 N ATOM 304 CD2 HIS A 20 0.315 12.336 10.462 1.00 41.21 C ATOM 305 CE1 HIS A 20 0.078 14.500 10.569 1.00 22.21 C ATOM 306 NE2 HIS A 20 0.870 13.504 10.899 1.00 22.44 N ATOM 0 H HIS A 20 -0.693 9.579 9.412 1.00 53.52 H new ATOM 0 HA HIS A 20 -2.710 10.995 10.961 1.00 0.33 H new ATOM 0 HB2 HIS A 20 -1.354 11.357 8.247 1.00 42.11 H new ATOM 0 HB3 HIS A 20 -2.657 12.402 8.781 1.00 42.11 H new ATOM 0 HD2 HIS A 20 0.730 11.346 10.584 1.00 41.21 H new ATOM 0 HE1 HIS A 20 0.255 15.544 10.782 1.00 22.21 H new ATOM 0 HE2 HIS A 20 1.755 13.590 11.400 1.00 22.44 H new ATOM 315 N PRO A 21 -4.878 10.682 9.384 1.00 44.35 N ATOM 316 CA PRO A 21 -6.103 10.229 8.671 1.00 20.31 C ATOM 317 C PRO A 21 -5.911 10.150 7.131 1.00 2.24 C ATOM 318 O PRO A 21 -5.952 11.165 6.436 1.00 54.13 O ATOM 319 CB PRO A 21 -7.171 11.290 9.064 1.00 43.23 C ATOM 320 CG PRO A 21 -6.665 11.889 10.347 1.00 11.12 C ATOM 321 CD PRO A 21 -5.155 11.883 10.229 1.00 32.32 C ATOM 0 HA PRO A 21 -6.385 9.214 8.952 1.00 20.31 H new ATOM 0 HB2 PRO A 21 -7.278 12.049 8.289 1.00 43.23 H new ATOM 0 HB3 PRO A 21 -8.151 10.833 9.201 1.00 43.23 H new ATOM 0 HG2 PRO A 21 -7.044 12.902 10.483 1.00 11.12 H new ATOM 0 HG3 PRO A 21 -6.994 11.307 11.208 1.00 11.12 H new ATOM 0 HD2 PRO A 21 -4.785 12.796 9.763 1.00 32.32 H new ATOM 0 HD3 PRO A 21 -4.676 11.807 11.205 1.00 32.32 H new ATOM 329 N GLY A 22 -5.672 8.926 6.641 1.00 42.31 N ATOM 330 CA GLY A 22 -5.555 8.628 5.213 1.00 11.13 C ATOM 331 C GLY A 22 -4.224 9.056 4.597 1.00 21.53 C ATOM 332 O GLY A 22 -4.211 9.776 3.594 1.00 62.12 O ATOM 0 H GLY A 22 -5.553 8.106 7.236 1.00 42.31 H new ATOM 0 HA2 GLY A 22 -5.685 7.556 5.064 1.00 11.13 H new ATOM 0 HA3 GLY A 22 -6.366 9.124 4.681 1.00 11.13 H new ATOM 336 N VAL A 23 -3.097 8.604 5.187 1.00 32.23 N ATOM 337 CA VAL A 23 -1.748 8.883 4.626 1.00 52.32 C ATOM 338 C VAL A 23 -1.524 8.071 3.348 1.00 30.34 C ATOM 339 O VAL A 23 -0.996 8.565 2.349 1.00 4.03 O ATOM 340 CB VAL A 23 -0.579 8.518 5.598 1.00 14.24 C ATOM 341 CG1 VAL A 23 0.758 9.016 5.023 1.00 34.32 C ATOM 342 CG2 VAL A 23 -0.807 9.077 7.001 1.00 33.41 C ATOM 0 H VAL A 23 -3.088 8.049 6.043 1.00 32.23 H new ATOM 0 HA VAL A 23 -1.733 9.957 4.441 1.00 52.32 H new ATOM 0 HB VAL A 23 -0.546 7.432 5.688 1.00 14.24 H new ATOM 0 HG11 VAL A 23 1.567 8.758 5.706 1.00 34.32 H new ATOM 0 HG12 VAL A 23 0.936 8.546 4.056 1.00 34.32 H new ATOM 0 HG13 VAL A 23 0.720 10.098 4.899 1.00 34.32 H new ATOM 0 HG21 VAL A 23 0.029 8.800 7.643 1.00 33.41 H new ATOM 0 HG22 VAL A 23 -0.882 10.163 6.952 1.00 33.41 H new ATOM 0 HG23 VAL A 23 -1.730 8.667 7.410 1.00 33.41 H new ATOM 352 N MET A 24 -1.897 6.794 3.438 1.00 5.00 N ATOM 353 CA MET A 24 -1.824 5.847 2.328 1.00 33.52 C ATOM 354 C MET A 24 -2.658 6.348 1.122 1.00 3.21 C ATOM 355 O MET A 24 -2.304 6.090 -0.023 1.00 1.15 O ATOM 356 CB MET A 24 -2.248 4.423 2.805 1.00 33.23 C ATOM 357 CG MET A 24 -3.603 4.341 3.548 1.00 72.35 C ATOM 358 SD MET A 24 -3.605 5.116 5.184 1.00 3.23 S ATOM 359 CE MET A 24 -2.382 4.139 6.061 1.00 35.33 C ATOM 0 H MET A 24 -2.263 6.384 4.297 1.00 5.00 H new ATOM 0 HA MET A 24 -0.792 5.776 1.983 1.00 33.52 H new ATOM 0 HB2 MET A 24 -2.291 3.766 1.936 1.00 33.23 H new ATOM 0 HB3 MET A 24 -1.470 4.033 3.462 1.00 33.23 H new ATOM 0 HG2 MET A 24 -4.370 4.814 2.934 1.00 72.35 H new ATOM 0 HG3 MET A 24 -3.882 3.293 3.655 1.00 72.35 H new ATOM 0 HE1 MET A 24 -2.245 4.543 7.064 1.00 35.33 H new ATOM 0 HE2 MET A 24 -2.722 3.106 6.129 1.00 35.33 H new ATOM 0 HE3 MET A 24 -1.434 4.174 5.523 1.00 35.33 H new ATOM 369 N THR A 25 -3.730 7.115 1.400 1.00 41.44 N ATOM 370 CA THR A 25 -4.552 7.760 0.360 1.00 50.24 C ATOM 371 C THR A 25 -3.743 8.857 -0.393 1.00 41.45 C ATOM 372 O THR A 25 -3.961 9.089 -1.589 1.00 23.15 O ATOM 373 CB THR A 25 -5.850 8.362 0.998 1.00 24.04 C ATOM 374 OG1 THR A 25 -6.404 7.416 1.935 1.00 43.54 O ATOM 375 CG2 THR A 25 -6.917 8.703 -0.059 1.00 71.22 C ATOM 0 H THR A 25 -4.049 7.304 2.350 1.00 41.44 H new ATOM 0 HA THR A 25 -4.841 7.004 -0.370 1.00 50.24 H new ATOM 0 HB THR A 25 -5.569 9.288 1.500 1.00 24.04 H new ATOM 0 HG1 THR A 25 -7.215 7.791 2.337 1.00 43.54 H new ATOM 0 HG21 THR A 25 -7.797 9.117 0.433 1.00 71.22 H new ATOM 0 HG22 THR A 25 -6.515 9.435 -0.759 1.00 71.22 H new ATOM 0 HG23 THR A 25 -7.195 7.799 -0.600 1.00 71.22 H new ATOM 383 N HIS A 26 -2.791 9.502 0.327 1.00 2.43 N ATOM 384 CA HIS A 26 -1.911 10.554 -0.236 1.00 14.41 C ATOM 385 C HIS A 26 -0.910 9.959 -1.237 1.00 51.34 C ATOM 386 O HIS A 26 -0.817 10.447 -2.365 1.00 34.13 O ATOM 387 CB HIS A 26 -1.136 11.324 0.873 1.00 71.52 C ATOM 388 CG HIS A 26 -1.992 12.056 1.866 1.00 13.45 C ATOM 389 ND1 HIS A 26 -1.471 12.695 2.957 1.00 53.52 N ATOM 390 CD2 HIS A 26 -3.328 12.243 1.934 1.00 0.51 C ATOM 391 CE1 HIS A 26 -2.441 13.239 3.656 1.00 42.10 C ATOM 392 NE2 HIS A 26 -3.578 12.983 3.051 1.00 54.14 N ATOM 0 H HIS A 26 -2.613 9.307 1.312 1.00 2.43 H new ATOM 0 HA HIS A 26 -2.562 11.260 -0.752 1.00 14.41 H new ATOM 0 HB2 HIS A 26 -0.508 10.615 1.413 1.00 71.52 H new ATOM 0 HB3 HIS A 26 -0.469 12.041 0.395 1.00 71.52 H new ATOM 0 HD2 HIS A 26 -4.062 11.874 1.233 1.00 0.51 H new ATOM 0 HE1 HIS A 26 -2.324 13.800 4.571 1.00 42.10 H new ATOM 0 HE2 HIS A 26 -4.499 13.288 3.366 1.00 54.14 H new ATOM 401 N VAL A 27 -0.174 8.895 -0.820 1.00 23.44 N ATOM 402 CA VAL A 27 0.852 8.253 -1.681 1.00 13.12 C ATOM 403 C VAL A 27 0.198 7.738 -2.989 1.00 2.14 C ATOM 404 O VAL A 27 0.705 7.972 -4.099 1.00 31.21 O ATOM 405 CB VAL A 27 1.649 7.093 -0.931 1.00 4.04 C ATOM 406 CG1 VAL A 27 2.238 7.594 0.412 1.00 75.30 C ATOM 407 CG2 VAL A 27 0.801 5.818 -0.698 1.00 33.11 C ATOM 0 H VAL A 27 -0.272 8.467 0.101 1.00 23.44 H new ATOM 0 HA VAL A 27 1.593 9.012 -1.931 1.00 13.12 H new ATOM 0 HB VAL A 27 2.464 6.815 -1.599 1.00 4.04 H new ATOM 0 HG11 VAL A 27 2.775 6.781 0.900 1.00 75.30 H new ATOM 0 HG12 VAL A 27 2.924 8.420 0.223 1.00 75.30 H new ATOM 0 HG13 VAL A 27 1.430 7.934 1.059 1.00 75.30 H new ATOM 0 HG21 VAL A 27 1.404 5.069 -0.184 1.00 33.11 H new ATOM 0 HG22 VAL A 27 -0.068 6.065 -0.089 1.00 33.11 H new ATOM 0 HG23 VAL A 27 0.470 5.421 -1.658 1.00 33.11 H new ATOM 417 N CYS A 28 -0.994 7.135 -2.821 1.00 60.45 N ATOM 418 CA CYS A 28 -1.795 6.599 -3.915 1.00 23.23 C ATOM 419 C CYS A 28 -2.296 7.717 -4.843 1.00 13.24 C ATOM 420 O CYS A 28 -2.358 7.531 -6.061 1.00 72.00 O ATOM 421 CB CYS A 28 -2.961 5.802 -3.314 1.00 71.31 C ATOM 422 SG CYS A 28 -2.422 4.371 -2.342 1.00 50.00 S ATOM 0 H CYS A 28 -1.425 7.009 -1.905 1.00 60.45 H new ATOM 0 HA CYS A 28 -1.182 5.941 -4.530 1.00 23.23 H new ATOM 0 HB2 CYS A 28 -3.554 6.461 -2.680 1.00 71.31 H new ATOM 0 HB3 CYS A 28 -3.613 5.462 -4.119 1.00 71.31 H new ATOM 0 HG CYS A 28 -3.319 4.095 -1.443 1.00 50.00 H new ATOM 428 N GLY A 29 -2.629 8.878 -4.244 1.00 14.51 N ATOM 429 CA GLY A 29 -3.077 10.047 -4.993 1.00 53.13 C ATOM 430 C GLY A 29 -1.987 10.620 -5.892 1.00 33.03 C ATOM 431 O GLY A 29 -2.260 10.964 -7.044 1.00 32.40 O ATOM 0 H GLY A 29 -2.592 9.021 -3.235 1.00 14.51 H new ATOM 0 HA2 GLY A 29 -3.939 9.775 -5.602 1.00 53.13 H new ATOM 0 HA3 GLY A 29 -3.409 10.816 -4.295 1.00 53.13 H new ATOM 435 N LEU A 30 -0.741 10.676 -5.368 1.00 53.20 N ATOM 436 CA LEU A 30 0.418 11.265 -6.072 1.00 44.23 C ATOM 437 C LEU A 30 0.777 10.478 -7.342 1.00 0.01 C ATOM 438 O LEU A 30 0.996 11.073 -8.403 1.00 23.14 O ATOM 439 CB LEU A 30 1.661 11.379 -5.122 1.00 53.03 C ATOM 440 CG LEU A 30 1.845 12.757 -4.399 1.00 52.22 C ATOM 441 CD1 LEU A 30 2.001 13.910 -5.420 1.00 53.02 C ATOM 442 CD2 LEU A 30 0.702 13.049 -3.396 1.00 52.32 C ATOM 0 H LEU A 30 -0.512 10.313 -4.443 1.00 53.20 H new ATOM 0 HA LEU A 30 0.128 12.270 -6.378 1.00 44.23 H new ATOM 0 HB2 LEU A 30 1.587 10.600 -4.364 1.00 53.03 H new ATOM 0 HB3 LEU A 30 2.559 11.173 -5.704 1.00 53.03 H new ATOM 0 HG LEU A 30 2.767 12.691 -3.821 1.00 52.22 H new ATOM 0 HD11 LEU A 30 2.127 14.853 -4.888 1.00 53.02 H new ATOM 0 HD12 LEU A 30 2.875 13.727 -6.045 1.00 53.02 H new ATOM 0 HD13 LEU A 30 1.111 13.963 -6.047 1.00 53.02 H new ATOM 0 HD21 LEU A 30 0.873 14.014 -2.920 1.00 52.32 H new ATOM 0 HD22 LEU A 30 -0.250 13.070 -3.926 1.00 52.32 H new ATOM 0 HD23 LEU A 30 0.677 12.269 -2.635 1.00 52.32 H new ATOM 454 N PHE A 31 0.841 9.146 -7.222 1.00 22.15 N ATOM 455 CA PHE A 31 1.256 8.277 -8.346 1.00 32.53 C ATOM 456 C PHE A 31 0.109 8.040 -9.346 1.00 52.10 C ATOM 457 O PHE A 31 0.367 7.811 -10.535 1.00 11.31 O ATOM 458 CB PHE A 31 1.875 6.967 -7.817 1.00 53.42 C ATOM 459 CG PHE A 31 3.117 7.228 -6.953 1.00 71.51 C ATOM 460 CD1 PHE A 31 4.267 7.792 -7.513 1.00 73.10 C ATOM 461 CD2 PHE A 31 3.114 6.978 -5.582 1.00 12.13 C ATOM 462 CE1 PHE A 31 5.373 8.071 -6.731 1.00 70.34 C ATOM 463 CE2 PHE A 31 4.219 7.265 -4.803 1.00 61.14 C ATOM 464 CZ PHE A 31 5.343 7.817 -5.374 1.00 3.24 C ATOM 0 H PHE A 31 0.613 8.642 -6.365 1.00 22.15 H new ATOM 0 HA PHE A 31 2.032 8.795 -8.910 1.00 32.53 H new ATOM 0 HB2 PHE A 31 1.132 6.426 -7.231 1.00 53.42 H new ATOM 0 HB3 PHE A 31 2.145 6.328 -8.658 1.00 53.42 H new ATOM 0 HD1 PHE A 31 4.292 8.013 -8.570 1.00 73.10 H new ATOM 0 HD2 PHE A 31 2.234 6.553 -5.121 1.00 12.13 H new ATOM 0 HE1 PHE A 31 6.261 8.488 -7.182 1.00 70.34 H new ATOM 0 HE2 PHE A 31 4.200 7.056 -3.744 1.00 61.14 H new ATOM 0 HZ PHE A 31 6.201 8.051 -4.761 1.00 3.24 H new ATOM 474 N ALA A 32 -1.151 8.105 -8.868 1.00 52.35 N ATOM 475 CA ALA A 32 -2.339 8.029 -9.746 1.00 71.12 C ATOM 476 C ALA A 32 -2.416 9.268 -10.668 1.00 20.41 C ATOM 477 O ALA A 32 -2.587 9.134 -11.887 1.00 32.40 O ATOM 478 CB ALA A 32 -3.625 7.888 -8.916 1.00 12.24 C ATOM 0 H ALA A 32 -1.373 8.210 -7.878 1.00 52.35 H new ATOM 0 HA ALA A 32 -2.242 7.142 -10.372 1.00 71.12 H new ATOM 0 HB1 ALA A 32 -4.485 7.834 -9.584 1.00 12.24 H new ATOM 0 HB2 ALA A 32 -3.573 6.979 -8.317 1.00 12.24 H new ATOM 0 HB3 ALA A 32 -3.730 8.751 -8.258 1.00 12.24 H new ATOM 484 N ARG A 33 -2.237 10.470 -10.074 1.00 31.14 N ATOM 485 CA ARG A 33 -2.301 11.755 -10.817 1.00 61.32 C ATOM 486 C ARG A 33 -1.024 11.995 -11.655 1.00 32.51 C ATOM 487 O ARG A 33 -0.976 12.937 -12.448 1.00 23.42 O ATOM 488 CB ARG A 33 -2.528 12.947 -9.836 1.00 3.03 C ATOM 489 CG ARG A 33 -1.306 13.314 -8.953 1.00 2.44 C ATOM 490 CD ARG A 33 -1.627 14.369 -7.880 1.00 71.40 C ATOM 491 NE ARG A 33 -2.007 15.677 -8.458 1.00 25.24 N ATOM 492 CZ ARG A 33 -2.875 16.550 -7.907 1.00 34.34 C ATOM 493 NH1 ARG A 33 -3.478 16.279 -6.752 1.00 41.32 N ATOM 494 NH2 ARG A 33 -3.111 17.709 -8.508 1.00 5.12 N ATOM 0 H ARG A 33 -2.046 10.579 -9.078 1.00 31.14 H new ATOM 0 HA ARG A 33 -3.146 11.692 -11.502 1.00 61.32 H new ATOM 0 HB2 ARG A 33 -2.815 13.825 -10.415 1.00 3.03 H new ATOM 0 HB3 ARG A 33 -3.368 12.706 -9.185 1.00 3.03 H new ATOM 0 HG2 ARG A 33 -0.934 12.412 -8.467 1.00 2.44 H new ATOM 0 HG3 ARG A 33 -0.504 13.686 -9.591 1.00 2.44 H new ATOM 0 HD2 ARG A 33 -2.439 14.005 -7.251 1.00 71.40 H new ATOM 0 HD3 ARG A 33 -0.758 14.501 -7.235 1.00 71.40 H new ATOM 0 HE ARG A 33 -1.578 15.940 -9.345 1.00 25.24 H new ATOM 0 HH11 ARG A 33 -3.286 15.401 -6.270 1.00 41.32 H new ATOM 0 HH12 ARG A 33 -4.132 16.950 -6.348 1.00 41.32 H new ATOM 0 HH21 ARG A 33 -2.637 17.936 -9.382 1.00 5.12 H new ATOM 0 HH22 ARG A 33 -3.766 18.373 -8.096 1.00 5.12 H new ATOM 508 N ARG A 34 -0.005 11.136 -11.465 1.00 15.42 N ATOM 509 CA ARG A 34 1.296 11.247 -12.139 1.00 21.52 C ATOM 510 C ARG A 34 1.144 10.884 -13.629 1.00 24.11 C ATOM 511 O ARG A 34 1.385 11.727 -14.502 1.00 22.51 O ATOM 512 CB ARG A 34 2.324 10.335 -11.389 1.00 3.22 C ATOM 513 CG ARG A 34 3.789 10.338 -11.909 1.00 21.42 C ATOM 514 CD ARG A 34 4.039 9.340 -13.053 1.00 5.15 C ATOM 515 NE ARG A 34 3.830 7.933 -12.649 1.00 41.13 N ATOM 516 CZ ARG A 34 4.317 6.860 -13.301 1.00 43.12 C ATOM 517 NH1 ARG A 34 5.042 6.987 -14.411 1.00 61.13 N ATOM 518 NH2 ARG A 34 4.071 5.647 -12.847 1.00 12.41 N ATOM 0 H ARG A 34 -0.066 10.338 -10.832 1.00 15.42 H new ATOM 0 HA ARG A 34 1.671 12.270 -12.106 1.00 21.52 H new ATOM 0 HB2 ARG A 34 2.337 10.633 -10.340 1.00 3.22 H new ATOM 0 HB3 ARG A 34 1.955 9.310 -11.425 1.00 3.22 H new ATOM 0 HG2 ARG A 34 4.042 11.341 -12.252 1.00 21.42 H new ATOM 0 HG3 ARG A 34 4.460 10.105 -11.082 1.00 21.42 H new ATOM 0 HD2 ARG A 34 3.375 9.576 -13.885 1.00 5.15 H new ATOM 0 HD3 ARG A 34 5.060 9.460 -13.416 1.00 5.15 H new ATOM 0 HE ARG A 34 3.274 7.762 -11.811 1.00 41.13 H new ATOM 0 HH11 ARG A 34 5.241 7.914 -14.787 1.00 61.13 H new ATOM 0 HH12 ARG A 34 5.399 6.157 -14.885 1.00 61.13 H new ATOM 0 HH21 ARG A 34 3.512 5.522 -12.003 1.00 12.41 H new ATOM 0 HH22 ARG A 34 4.439 4.834 -13.340 1.00 12.41 H new ATOM 532 N ALA A 35 0.733 9.626 -13.888 1.00 2.05 N ATOM 533 CA ALA A 35 0.532 9.082 -15.248 1.00 24.12 C ATOM 534 C ALA A 35 0.073 7.625 -15.135 1.00 53.31 C ATOM 535 O ALA A 35 -1.042 7.269 -15.530 1.00 65.44 O ATOM 536 CB ALA A 35 1.824 9.171 -16.105 1.00 22.45 C ATOM 0 H ALA A 35 0.529 8.951 -13.151 1.00 2.05 H new ATOM 0 HA ALA A 35 -0.228 9.680 -15.750 1.00 24.12 H new ATOM 0 HB1 ALA A 35 1.632 8.761 -17.096 1.00 22.45 H new ATOM 0 HB2 ALA A 35 2.129 10.214 -16.197 1.00 22.45 H new ATOM 0 HB3 ALA A 35 2.619 8.601 -15.624 1.00 22.45 H new ATOM 542 N PHE A 36 0.952 6.805 -14.554 1.00 54.25 N ATOM 543 CA PHE A 36 0.748 5.357 -14.384 1.00 33.41 C ATOM 544 C PHE A 36 0.723 5.044 -12.883 1.00 21.31 C ATOM 545 O PHE A 36 1.408 5.713 -12.097 1.00 40.43 O ATOM 546 CB PHE A 36 1.892 4.594 -15.114 1.00 41.30 C ATOM 547 CG PHE A 36 1.822 3.061 -15.047 1.00 51.44 C ATOM 548 CD1 PHE A 36 0.948 2.348 -15.868 1.00 61.23 C ATOM 549 CD2 PHE A 36 2.635 2.337 -14.170 1.00 64.12 C ATOM 550 CE1 PHE A 36 0.886 0.965 -15.809 1.00 52.21 C ATOM 551 CE2 PHE A 36 2.573 0.956 -14.114 1.00 14.52 C ATOM 552 CZ PHE A 36 1.699 0.271 -14.934 1.00 40.55 C ATOM 0 H PHE A 36 1.843 7.131 -14.180 1.00 54.25 H new ATOM 0 HA PHE A 36 -0.199 5.037 -14.820 1.00 33.41 H new ATOM 0 HB2 PHE A 36 1.892 4.893 -16.162 1.00 41.30 H new ATOM 0 HB3 PHE A 36 2.844 4.914 -14.691 1.00 41.30 H new ATOM 0 HD1 PHE A 36 0.311 2.881 -16.559 1.00 61.23 H new ATOM 0 HD2 PHE A 36 3.323 2.864 -13.526 1.00 64.12 H new ATOM 0 HE1 PHE A 36 0.201 0.429 -16.448 1.00 52.21 H new ATOM 0 HE2 PHE A 36 3.208 0.414 -13.429 1.00 14.52 H new ATOM 0 HZ PHE A 36 1.651 -0.807 -14.891 1.00 40.55 H new ATOM 562 N ASN A 37 -0.055 4.025 -12.495 1.00 53.01 N ATOM 563 CA ASN A 37 -0.225 3.631 -11.080 1.00 34.12 C ATOM 564 C ASN A 37 1.037 2.958 -10.505 1.00 42.10 C ATOM 565 O ASN A 37 2.071 2.833 -11.173 1.00 53.54 O ATOM 566 CB ASN A 37 -1.452 2.690 -10.913 1.00 33.22 C ATOM 567 CG ASN A 37 -2.780 3.406 -11.140 1.00 0.34 C ATOM 568 OD1 ASN A 37 -3.277 4.085 -10.250 1.00 43.02 O ATOM 569 ND2 ASN A 37 -3.371 3.244 -12.311 1.00 64.31 N ATOM 0 H ASN A 37 -0.586 3.448 -13.148 1.00 53.01 H new ATOM 0 HA ASN A 37 -0.396 4.548 -10.516 1.00 34.12 H new ATOM 0 HB2 ASN A 37 -1.367 1.861 -11.615 1.00 33.22 H new ATOM 0 HB3 ASN A 37 -1.442 2.261 -9.911 1.00 33.22 H new ATOM 0 HD21 ASN A 37 -4.269 3.691 -12.495 1.00 64.31 H new ATOM 0 HD22 ASN A 37 -2.929 2.672 -13.030 1.00 64.31 H new ATOM 576 N VAL A 38 0.936 2.558 -9.234 1.00 25.33 N ATOM 577 CA VAL A 38 1.985 1.812 -8.542 1.00 60.12 C ATOM 578 C VAL A 38 1.878 0.315 -8.909 1.00 12.14 C ATOM 579 O VAL A 38 0.767 -0.230 -8.990 1.00 4.54 O ATOM 580 CB VAL A 38 1.877 1.984 -6.985 1.00 21.13 C ATOM 581 CG1 VAL A 38 3.058 1.296 -6.277 1.00 63.44 C ATOM 582 CG2 VAL A 38 1.782 3.473 -6.582 1.00 52.02 C ATOM 0 H VAL A 38 0.118 2.745 -8.655 1.00 25.33 H new ATOM 0 HA VAL A 38 2.951 2.206 -8.859 1.00 60.12 H new ATOM 0 HB VAL A 38 0.955 1.500 -6.663 1.00 21.13 H new ATOM 0 HG11 VAL A 38 2.963 1.428 -5.199 1.00 63.44 H new ATOM 0 HG12 VAL A 38 3.055 0.232 -6.514 1.00 63.44 H new ATOM 0 HG13 VAL A 38 3.994 1.740 -6.616 1.00 63.44 H new ATOM 0 HG21 VAL A 38 1.709 3.552 -5.497 1.00 52.02 H new ATOM 0 HG22 VAL A 38 2.672 4.000 -6.925 1.00 52.02 H new ATOM 0 HG23 VAL A 38 0.898 3.918 -7.039 1.00 52.02 H new ATOM 592 N GLU A 39 3.031 -0.322 -9.139 1.00 30.22 N ATOM 593 CA GLU A 39 3.122 -1.756 -9.453 1.00 1.03 C ATOM 594 C GLU A 39 3.048 -2.591 -8.149 1.00 33.25 C ATOM 595 O GLU A 39 2.232 -3.513 -8.031 1.00 71.02 O ATOM 596 CB GLU A 39 4.450 -2.034 -10.206 1.00 1.25 C ATOM 597 CG GLU A 39 4.611 -3.475 -10.730 1.00 43.51 C ATOM 598 CD GLU A 39 6.029 -3.763 -11.237 1.00 71.10 C ATOM 599 OE1 GLU A 39 6.316 -3.522 -12.433 1.00 44.22 O ATOM 600 OE2 GLU A 39 6.867 -4.200 -10.423 1.00 41.40 O ATOM 0 H GLU A 39 3.937 0.146 -9.113 1.00 30.22 H new ATOM 0 HA GLU A 39 2.286 -2.044 -10.091 1.00 1.03 H new ATOM 0 HB2 GLU A 39 4.523 -1.346 -11.049 1.00 1.25 H new ATOM 0 HB3 GLU A 39 5.282 -1.811 -9.539 1.00 1.25 H new ATOM 0 HG2 GLU A 39 4.364 -4.177 -9.933 1.00 43.51 H new ATOM 0 HG3 GLU A 39 3.899 -3.646 -11.537 1.00 43.51 H new ATOM 607 N GLY A 40 3.893 -2.224 -7.165 1.00 24.11 N ATOM 608 CA GLY A 40 3.987 -2.955 -5.888 1.00 2.24 C ATOM 609 C GLY A 40 4.124 -2.012 -4.709 1.00 35.23 C ATOM 610 O GLY A 40 4.683 -0.944 -4.848 1.00 33.43 O ATOM 0 H GLY A 40 4.521 -1.423 -7.232 1.00 24.11 H new ATOM 0 HA2 GLY A 40 3.099 -3.574 -5.757 1.00 2.24 H new ATOM 0 HA3 GLY A 40 4.844 -3.628 -5.917 1.00 2.24 H new ATOM 614 N ILE A 41 3.603 -2.402 -3.537 1.00 52.51 N ATOM 615 CA ILE A 41 3.619 -1.561 -2.311 1.00 62.12 C ATOM 616 C ILE A 41 4.077 -2.417 -1.123 1.00 21.41 C ATOM 617 O ILE A 41 3.767 -3.608 -1.070 1.00 10.14 O ATOM 618 CB ILE A 41 2.192 -0.943 -1.997 1.00 31.30 C ATOM 619 CG1 ILE A 41 1.647 -0.115 -3.207 1.00 23.20 C ATOM 620 CG2 ILE A 41 2.207 -0.079 -0.712 1.00 72.22 C ATOM 621 CD1 ILE A 41 0.253 0.466 -3.015 1.00 14.44 C ATOM 0 H ILE A 41 3.156 -3.309 -3.403 1.00 52.51 H new ATOM 0 HA ILE A 41 4.309 -0.733 -2.477 1.00 62.12 H new ATOM 0 HB ILE A 41 1.518 -1.782 -1.827 1.00 31.30 H new ATOM 0 HG12 ILE A 41 2.340 0.702 -3.410 1.00 23.20 H new ATOM 0 HG13 ILE A 41 1.639 -0.753 -4.090 1.00 23.20 H new ATOM 0 HG21 ILE A 41 1.210 0.325 -0.534 1.00 72.22 H new ATOM 0 HG22 ILE A 41 2.506 -0.694 0.137 1.00 72.22 H new ATOM 0 HG23 ILE A 41 2.915 0.741 -0.833 1.00 72.22 H new ATOM 0 HD11 ILE A 41 -0.036 1.022 -3.907 1.00 14.44 H new ATOM 0 HD12 ILE A 41 -0.458 -0.343 -2.846 1.00 14.44 H new ATOM 0 HD13 ILE A 41 0.253 1.135 -2.155 1.00 14.44 H new ATOM 633 N LEU A 42 4.808 -1.807 -0.175 1.00 74.11 N ATOM 634 CA LEU A 42 5.186 -2.466 1.082 1.00 43.43 C ATOM 635 C LEU A 42 5.235 -1.435 2.227 1.00 33.41 C ATOM 636 O LEU A 42 6.244 -0.769 2.429 1.00 62.33 O ATOM 637 CB LEU A 42 6.536 -3.233 0.928 1.00 54.22 C ATOM 638 CG LEU A 42 7.054 -3.993 2.201 1.00 60.31 C ATOM 639 CD1 LEU A 42 5.958 -4.879 2.822 1.00 35.35 C ATOM 640 CD2 LEU A 42 8.310 -4.822 1.871 1.00 1.21 C ATOM 0 H LEU A 42 5.150 -0.850 -0.259 1.00 74.11 H new ATOM 0 HA LEU A 42 4.428 -3.208 1.333 1.00 43.43 H new ATOM 0 HB2 LEU A 42 6.429 -3.955 0.119 1.00 54.22 H new ATOM 0 HB3 LEU A 42 7.301 -2.520 0.620 1.00 54.22 H new ATOM 0 HG LEU A 42 7.324 -3.242 2.943 1.00 60.31 H new ATOM 0 HD11 LEU A 42 6.356 -5.388 3.700 1.00 35.35 H new ATOM 0 HD12 LEU A 42 5.111 -4.259 3.115 1.00 35.35 H new ATOM 0 HD13 LEU A 42 5.631 -5.619 2.091 1.00 35.35 H new ATOM 0 HD21 LEU A 42 8.650 -5.339 2.768 1.00 1.21 H new ATOM 0 HD22 LEU A 42 8.071 -5.553 1.099 1.00 1.21 H new ATOM 0 HD23 LEU A 42 9.099 -4.161 1.512 1.00 1.21 H new ATOM 652 N CYS A 43 4.119 -1.308 2.962 1.00 51.15 N ATOM 653 CA CYS A 43 4.047 -0.470 4.168 1.00 30.35 C ATOM 654 C CYS A 43 4.502 -1.305 5.361 1.00 13.12 C ATOM 655 O CYS A 43 3.804 -2.226 5.796 1.00 32.13 O ATOM 656 CB CYS A 43 2.619 0.053 4.398 1.00 60.34 C ATOM 657 SG CYS A 43 2.407 1.041 5.900 1.00 35.32 S ATOM 0 H CYS A 43 3.244 -1.782 2.738 1.00 51.15 H new ATOM 0 HA CYS A 43 4.696 0.397 4.044 1.00 30.35 H new ATOM 0 HB2 CYS A 43 2.325 0.656 3.539 1.00 60.34 H new ATOM 0 HB3 CYS A 43 1.938 -0.797 4.440 1.00 60.34 H new ATOM 0 HG CYS A 43 1.775 0.341 6.794 1.00 35.32 H new ATOM 663 N LEU A 44 5.706 -1.006 5.837 1.00 23.00 N ATOM 664 CA LEU A 44 6.324 -1.693 6.967 1.00 10.12 C ATOM 665 C LEU A 44 6.087 -0.852 8.231 1.00 20.12 C ATOM 666 O LEU A 44 6.650 0.241 8.326 1.00 15.31 O ATOM 667 CB LEU A 44 7.840 -1.837 6.700 1.00 60.02 C ATOM 668 CG LEU A 44 8.586 -2.937 7.508 1.00 11.22 C ATOM 669 CD1 LEU A 44 8.231 -4.345 6.974 1.00 53.40 C ATOM 670 CD2 LEU A 44 10.107 -2.692 7.492 1.00 53.13 C ATOM 0 H LEU A 44 6.290 -0.268 5.443 1.00 23.00 H new ATOM 0 HA LEU A 44 5.892 -2.685 7.100 1.00 10.12 H new ATOM 0 HB2 LEU A 44 7.982 -2.039 5.638 1.00 60.02 H new ATOM 0 HB3 LEU A 44 8.316 -0.879 6.909 1.00 60.02 H new ATOM 0 HG LEU A 44 8.256 -2.885 8.546 1.00 11.22 H new ATOM 0 HD11 LEU A 44 8.764 -5.099 7.554 1.00 53.40 H new ATOM 0 HD12 LEU A 44 7.157 -4.509 7.066 1.00 53.40 H new ATOM 0 HD13 LEU A 44 8.521 -4.421 5.926 1.00 53.40 H new ATOM 0 HD21 LEU A 44 10.607 -3.474 8.063 1.00 53.13 H new ATOM 0 HD22 LEU A 44 10.467 -2.707 6.463 1.00 53.13 H new ATOM 0 HD23 LEU A 44 10.324 -1.721 7.938 1.00 53.13 H new ATOM 682 N PRO A 45 5.217 -1.296 9.185 1.00 61.11 N ATOM 683 CA PRO A 45 4.976 -0.546 10.439 1.00 23.53 C ATOM 684 C PRO A 45 6.131 -0.715 11.455 1.00 10.12 C ATOM 685 O PRO A 45 6.497 -1.837 11.833 1.00 32.51 O ATOM 686 CB PRO A 45 3.655 -1.156 10.955 1.00 43.53 C ATOM 687 CG PRO A 45 3.652 -2.574 10.442 1.00 33.22 C ATOM 688 CD PRO A 45 4.382 -2.537 9.109 1.00 12.30 C ATOM 0 HA PRO A 45 4.919 0.532 10.285 1.00 23.53 H new ATOM 0 HB2 PRO A 45 3.607 -1.130 12.044 1.00 43.53 H new ATOM 0 HB3 PRO A 45 2.793 -0.601 10.585 1.00 43.53 H new ATOM 0 HG2 PRO A 45 4.151 -3.244 11.142 1.00 33.22 H new ATOM 0 HG3 PRO A 45 2.634 -2.943 10.319 1.00 33.22 H new ATOM 0 HD2 PRO A 45 4.999 -3.425 8.967 1.00 12.30 H new ATOM 0 HD3 PRO A 45 3.684 -2.497 8.273 1.00 12.30 H new ATOM 696 N ILE A 46 6.711 0.419 11.870 1.00 32.51 N ATOM 697 CA ILE A 46 7.788 0.470 12.869 1.00 71.20 C ATOM 698 C ILE A 46 7.169 0.544 14.282 1.00 32.13 C ATOM 699 O ILE A 46 6.206 1.286 14.505 1.00 61.23 O ATOM 700 CB ILE A 46 8.751 1.697 12.613 1.00 70.43 C ATOM 701 CG1 ILE A 46 9.690 1.464 11.373 1.00 50.45 C ATOM 702 CG2 ILE A 46 9.578 2.053 13.864 1.00 31.42 C ATOM 703 CD1 ILE A 46 9.009 1.434 10.023 1.00 11.34 C ATOM 0 H ILE A 46 6.443 1.338 11.518 1.00 32.51 H new ATOM 0 HA ILE A 46 8.389 -0.435 12.785 1.00 71.20 H new ATOM 0 HB ILE A 46 8.108 2.547 12.386 1.00 70.43 H new ATOM 0 HG12 ILE A 46 10.444 2.251 11.360 1.00 50.45 H new ATOM 0 HG13 ILE A 46 10.217 0.520 11.513 1.00 50.45 H new ATOM 0 HG21 ILE A 46 10.226 2.901 13.643 1.00 31.42 H new ATOM 0 HG22 ILE A 46 8.906 2.313 14.682 1.00 31.42 H new ATOM 0 HG23 ILE A 46 10.188 1.197 14.153 1.00 31.42 H new ATOM 0 HD11 ILE A 46 9.753 1.267 9.244 1.00 11.34 H new ATOM 0 HD12 ILE A 46 8.276 0.628 10.003 1.00 11.34 H new ATOM 0 HD13 ILE A 46 8.507 2.385 9.848 1.00 11.34 H new ATOM 715 N GLN A 47 7.744 -0.220 15.228 1.00 32.04 N ATOM 716 CA GLN A 47 7.187 -0.377 16.582 1.00 5.02 C ATOM 717 C GLN A 47 7.721 0.679 17.576 1.00 53.43 C ATOM 718 O GLN A 47 6.978 1.096 18.470 1.00 11.10 O ATOM 719 CB GLN A 47 7.470 -1.810 17.105 1.00 3.12 C ATOM 720 CG GLN A 47 8.958 -2.136 17.355 1.00 15.31 C ATOM 721 CD GLN A 47 9.195 -3.548 17.892 1.00 31.00 C ATOM 722 OE1 GLN A 47 8.338 -4.127 18.561 1.00 22.00 O ATOM 723 NE2 GLN A 47 10.375 -4.091 17.644 1.00 25.10 N ATOM 0 H GLN A 47 8.606 -0.744 15.075 1.00 32.04 H new ATOM 0 HA GLN A 47 6.111 -0.218 16.510 1.00 5.02 H new ATOM 0 HB2 GLN A 47 6.921 -1.955 18.036 1.00 3.12 H new ATOM 0 HB3 GLN A 47 7.073 -2.527 16.386 1.00 3.12 H new ATOM 0 HG2 GLN A 47 9.509 -2.014 16.423 1.00 15.31 H new ATOM 0 HG3 GLN A 47 9.365 -1.414 18.063 1.00 15.31 H new ATOM 0 HE21 GLN A 47 11.062 -3.584 17.086 1.00 25.10 H new ATOM 0 HE22 GLN A 47 10.598 -5.016 18.011 1.00 25.10 H new ATOM 732 N ASP A 48 9.000 1.109 17.430 1.00 30.32 N ATOM 733 CA ASP A 48 9.666 1.953 18.458 1.00 34.01 C ATOM 734 C ASP A 48 9.046 3.361 18.546 1.00 74.13 C ATOM 735 O ASP A 48 9.007 3.961 19.623 1.00 51.24 O ATOM 736 CB ASP A 48 11.207 2.043 18.245 1.00 41.32 C ATOM 737 CG ASP A 48 11.652 2.794 16.968 1.00 60.44 C ATOM 738 OD1 ASP A 48 11.742 4.040 16.987 1.00 53.43 O ATOM 739 OD2 ASP A 48 11.919 2.144 15.945 1.00 72.43 O ATOM 0 H ASP A 48 9.585 0.890 16.623 1.00 30.32 H new ATOM 0 HA ASP A 48 9.494 1.453 19.411 1.00 34.01 H new ATOM 0 HB2 ASP A 48 11.649 2.537 19.110 1.00 41.32 H new ATOM 0 HB3 ASP A 48 11.613 1.032 18.213 1.00 41.32 H new ATOM 744 N SER A 49 8.573 3.872 17.404 1.00 22.43 N ATOM 745 CA SER A 49 7.954 5.207 17.304 1.00 71.44 C ATOM 746 C SER A 49 6.884 5.200 16.210 1.00 3.02 C ATOM 747 O SER A 49 6.831 4.260 15.400 1.00 75.14 O ATOM 748 CB SER A 49 9.029 6.283 16.996 1.00 44.41 C ATOM 749 OG SER A 49 10.033 6.321 17.996 1.00 4.51 O ATOM 0 H SER A 49 8.607 3.372 16.516 1.00 22.43 H new ATOM 0 HA SER A 49 7.488 5.451 18.258 1.00 71.44 H new ATOM 0 HB2 SER A 49 9.486 6.074 16.029 1.00 44.41 H new ATOM 0 HB3 SER A 49 8.554 7.261 16.920 1.00 44.41 H new ATOM 0 HG SER A 49 10.713 5.642 17.803 1.00 4.51 H new ATOM 755 N ASP A 50 6.048 6.257 16.194 1.00 60.03 N ATOM 756 CA ASP A 50 5.003 6.450 15.176 1.00 1.42 C ATOM 757 C ASP A 50 5.650 6.738 13.811 1.00 35.32 C ATOM 758 O ASP A 50 5.942 7.892 13.488 1.00 61.32 O ATOM 759 CB ASP A 50 4.042 7.612 15.574 1.00 64.13 C ATOM 760 CG ASP A 50 3.292 7.342 16.883 1.00 32.55 C ATOM 761 OD1 ASP A 50 3.905 7.448 17.959 1.00 70.13 O ATOM 762 OD2 ASP A 50 2.084 7.024 16.848 1.00 61.32 O ATOM 0 H ASP A 50 6.081 7.002 16.890 1.00 60.03 H new ATOM 0 HA ASP A 50 4.415 5.535 15.108 1.00 1.42 H new ATOM 0 HB2 ASP A 50 4.616 8.534 15.673 1.00 64.13 H new ATOM 0 HB3 ASP A 50 3.320 7.770 14.773 1.00 64.13 H new ATOM 767 N LYS A 51 5.945 5.666 13.060 1.00 11.10 N ATOM 768 CA LYS A 51 6.430 5.761 11.678 1.00 2.23 C ATOM 769 C LYS A 51 6.262 4.415 10.961 1.00 72.05 C ATOM 770 O LYS A 51 6.239 3.361 11.589 1.00 24.34 O ATOM 771 CB LYS A 51 7.903 6.275 11.589 1.00 24.11 C ATOM 772 CG LYS A 51 8.950 5.422 12.335 1.00 30.51 C ATOM 773 CD LYS A 51 10.387 5.979 12.179 1.00 44.31 C ATOM 774 CE LYS A 51 11.436 5.149 12.944 1.00 24.52 C ATOM 775 NZ LYS A 51 11.167 5.111 14.412 1.00 62.00 N ATOM 0 H LYS A 51 5.853 4.707 13.396 1.00 11.10 H new ATOM 0 HA LYS A 51 5.818 6.507 11.170 1.00 2.23 H new ATOM 0 HB2 LYS A 51 8.187 6.331 10.538 1.00 24.11 H new ATOM 0 HB3 LYS A 51 7.940 7.291 11.983 1.00 24.11 H new ATOM 0 HG2 LYS A 51 8.693 5.380 13.393 1.00 30.51 H new ATOM 0 HG3 LYS A 51 8.917 4.400 11.958 1.00 30.51 H new ATOM 0 HD2 LYS A 51 10.650 6.002 11.121 1.00 44.31 H new ATOM 0 HD3 LYS A 51 10.414 7.008 12.537 1.00 44.31 H new ATOM 0 HE2 LYS A 51 11.447 4.132 12.552 1.00 24.52 H new ATOM 0 HE3 LYS A 51 12.427 5.569 12.769 1.00 24.52 H new ATOM 0 HZ1 LYS A 51 11.868 4.500 14.878 1.00 62.00 H new ATOM 0 HZ2 LYS A 51 11.232 6.073 14.802 1.00 62.00 H new ATOM 0 HZ3 LYS A 51 10.213 4.733 14.580 1.00 62.00 H new ATOM 789 N SER A 52 6.107 4.492 9.638 1.00 53.23 N ATOM 790 CA SER A 52 5.960 3.347 8.744 1.00 13.53 C ATOM 791 C SER A 52 6.672 3.680 7.428 1.00 54.30 C ATOM 792 O SER A 52 6.495 4.781 6.911 1.00 4.33 O ATOM 793 CB SER A 52 4.460 3.067 8.488 1.00 15.45 C ATOM 794 OG SER A 52 3.762 2.837 9.700 1.00 63.22 O ATOM 0 H SER A 52 6.080 5.384 9.145 1.00 53.23 H new ATOM 0 HA SER A 52 6.399 2.455 9.191 1.00 13.53 H new ATOM 0 HB2 SER A 52 4.015 3.913 7.965 1.00 15.45 H new ATOM 0 HB3 SER A 52 4.356 2.199 7.837 1.00 15.45 H new ATOM 0 HG SER A 52 2.817 2.665 9.506 1.00 63.22 H new ATOM 800 N HIS A 53 7.502 2.761 6.910 1.00 4.35 N ATOM 801 CA HIS A 53 8.200 2.955 5.615 1.00 11.42 C ATOM 802 C HIS A 53 7.415 2.245 4.503 1.00 42.35 C ATOM 803 O HIS A 53 7.414 1.016 4.437 1.00 64.54 O ATOM 804 CB HIS A 53 9.657 2.409 5.670 1.00 62.14 C ATOM 805 CG HIS A 53 10.604 3.166 6.571 1.00 34.42 C ATOM 806 ND1 HIS A 53 11.946 3.315 6.289 1.00 30.22 N ATOM 807 CD2 HIS A 53 10.412 3.784 7.764 1.00 44.05 C ATOM 808 CE1 HIS A 53 12.527 3.985 7.259 1.00 23.53 C ATOM 809 NE2 HIS A 53 11.620 4.284 8.168 1.00 32.10 N ATOM 0 H HIS A 53 7.711 1.872 7.364 1.00 4.35 H new ATOM 0 HA HIS A 53 8.252 4.024 5.407 1.00 11.42 H new ATOM 0 HB2 HIS A 53 9.624 1.370 5.998 1.00 62.14 H new ATOM 0 HB3 HIS A 53 10.065 2.412 4.659 1.00 62.14 H new ATOM 0 HD1 HIS A 53 12.415 2.960 5.456 1.00 30.22 H new ATOM 0 HD2 HIS A 53 9.476 3.866 8.297 1.00 44.05 H new ATOM 0 HE1 HIS A 53 13.574 4.247 7.304 1.00 23.53 H new ATOM 818 N ILE A 54 6.725 3.027 3.656 1.00 43.31 N ATOM 819 CA ILE A 54 5.935 2.503 2.531 1.00 71.31 C ATOM 820 C ILE A 54 6.802 2.546 1.266 1.00 55.21 C ATOM 821 O ILE A 54 7.072 3.631 0.756 1.00 75.01 O ATOM 822 CB ILE A 54 4.587 3.307 2.267 1.00 24.00 C ATOM 823 CG1 ILE A 54 3.672 3.402 3.535 1.00 40.32 C ATOM 824 CG2 ILE A 54 3.791 2.650 1.110 1.00 44.35 C ATOM 825 CD1 ILE A 54 4.144 4.335 4.621 1.00 54.24 C ATOM 0 H ILE A 54 6.700 4.044 3.733 1.00 43.31 H new ATOM 0 HA ILE A 54 5.643 1.485 2.789 1.00 71.31 H new ATOM 0 HB ILE A 54 4.880 4.322 1.999 1.00 24.00 H new ATOM 0 HG12 ILE A 54 2.678 3.718 3.219 1.00 40.32 H new ATOM 0 HG13 ILE A 54 3.569 2.404 3.960 1.00 40.32 H new ATOM 0 HG21 ILE A 54 2.871 3.208 0.938 1.00 44.35 H new ATOM 0 HG22 ILE A 54 4.395 2.658 0.203 1.00 44.35 H new ATOM 0 HG23 ILE A 54 3.547 1.621 1.375 1.00 44.35 H new ATOM 0 HD11 ILE A 54 3.434 4.320 5.448 1.00 54.24 H new ATOM 0 HD12 ILE A 54 5.123 4.013 4.977 1.00 54.24 H new ATOM 0 HD13 ILE A 54 4.217 5.348 4.224 1.00 54.24 H new ATOM 837 N TRP A 55 7.240 1.377 0.772 1.00 31.11 N ATOM 838 CA TRP A 55 8.023 1.272 -0.468 1.00 74.31 C ATOM 839 C TRP A 55 7.070 1.172 -1.666 1.00 55.53 C ATOM 840 O TRP A 55 6.432 0.135 -1.880 1.00 43.31 O ATOM 841 CB TRP A 55 8.978 0.048 -0.419 1.00 33.33 C ATOM 842 CG TRP A 55 10.139 0.232 0.532 1.00 4.23 C ATOM 843 CD1 TRP A 55 11.292 0.899 0.274 1.00 71.40 C ATOM 844 CD2 TRP A 55 10.261 -0.250 1.871 1.00 44.23 C ATOM 845 NE1 TRP A 55 12.120 0.868 1.357 1.00 15.02 N ATOM 846 CE2 TRP A 55 11.511 0.176 2.356 1.00 21.22 C ATOM 847 CE3 TRP A 55 9.438 -0.988 2.705 1.00 35.12 C ATOM 848 CZ2 TRP A 55 11.959 -0.120 3.632 1.00 60.34 C ATOM 849 CZ3 TRP A 55 9.880 -1.285 3.969 1.00 32.21 C ATOM 850 CH2 TRP A 55 11.129 -0.848 4.430 1.00 61.04 C ATOM 0 H TRP A 55 7.061 0.479 1.221 1.00 31.11 H new ATOM 0 HA TRP A 55 8.639 2.165 -0.575 1.00 74.31 H new ATOM 0 HB2 TRP A 55 8.411 -0.835 -0.123 1.00 33.33 H new ATOM 0 HB3 TRP A 55 9.364 -0.143 -1.420 1.00 33.33 H new ATOM 0 HD1 TRP A 55 11.522 1.388 -0.661 1.00 71.40 H new ATOM 0 HE1 TRP A 55 13.045 1.294 1.409 1.00 15.02 H new ATOM 0 HE3 TRP A 55 8.468 -1.323 2.367 1.00 35.12 H new ATOM 0 HZ2 TRP A 55 12.926 0.212 3.980 1.00 60.34 H new ATOM 0 HZ3 TRP A 55 9.251 -1.869 4.624 1.00 32.21 H new ATOM 0 HH2 TRP A 55 11.439 -1.093 5.435 1.00 61.04 H new ATOM 861 N LEU A 56 6.938 2.285 -2.404 1.00 75.02 N ATOM 862 CA LEU A 56 6.173 2.342 -3.648 1.00 53.22 C ATOM 863 C LEU A 56 7.093 1.968 -4.813 1.00 24.14 C ATOM 864 O LEU A 56 8.030 2.701 -5.136 1.00 4.54 O ATOM 865 CB LEU A 56 5.558 3.753 -3.898 1.00 12.14 C ATOM 866 CG LEU A 56 4.469 4.257 -2.885 1.00 72.15 C ATOM 867 CD1 LEU A 56 3.370 3.202 -2.650 1.00 0.13 C ATOM 868 CD2 LEU A 56 5.088 4.757 -1.564 1.00 10.33 C ATOM 0 H LEU A 56 7.365 3.175 -2.147 1.00 75.02 H new ATOM 0 HA LEU A 56 5.345 1.637 -3.568 1.00 53.22 H new ATOM 0 HB2 LEU A 56 6.372 4.478 -3.906 1.00 12.14 H new ATOM 0 HB3 LEU A 56 5.118 3.757 -4.895 1.00 12.14 H new ATOM 0 HG LEU A 56 3.986 5.119 -3.346 1.00 72.15 H new ATOM 0 HD11 LEU A 56 2.637 3.591 -1.943 1.00 0.13 H new ATOM 0 HD12 LEU A 56 2.877 2.974 -3.595 1.00 0.13 H new ATOM 0 HD13 LEU A 56 3.818 2.294 -2.246 1.00 0.13 H new ATOM 0 HD21 LEU A 56 4.296 5.095 -0.896 1.00 10.33 H new ATOM 0 HD22 LEU A 56 5.640 3.945 -1.091 1.00 10.33 H new ATOM 0 HD23 LEU A 56 5.766 5.585 -1.770 1.00 10.33 H new ATOM 880 N LEU A 57 6.816 0.815 -5.408 1.00 34.13 N ATOM 881 CA LEU A 57 7.454 0.332 -6.632 1.00 32.31 C ATOM 882 C LEU A 57 6.680 0.912 -7.808 1.00 42.01 C ATOM 883 O LEU A 57 5.643 0.371 -8.199 1.00 51.21 O ATOM 884 CB LEU A 57 7.426 -1.226 -6.707 1.00 0.01 C ATOM 885 CG LEU A 57 8.457 -2.013 -5.847 1.00 1.31 C ATOM 886 CD1 LEU A 57 8.389 -1.649 -4.350 1.00 62.23 C ATOM 887 CD2 LEU A 57 8.292 -3.529 -6.071 1.00 61.44 C ATOM 0 H LEU A 57 6.119 0.167 -5.042 1.00 34.13 H new ATOM 0 HA LEU A 57 8.498 0.644 -6.650 1.00 32.31 H new ATOM 0 HB2 LEU A 57 6.428 -1.557 -6.420 1.00 0.01 H new ATOM 0 HB3 LEU A 57 7.570 -1.514 -7.748 1.00 0.01 H new ATOM 0 HG LEU A 57 9.452 -1.717 -6.181 1.00 1.31 H new ATOM 0 HD11 LEU A 57 9.131 -2.229 -3.800 1.00 62.23 H new ATOM 0 HD12 LEU A 57 8.594 -0.586 -4.224 1.00 62.23 H new ATOM 0 HD13 LEU A 57 7.394 -1.875 -3.966 1.00 62.23 H new ATOM 0 HD21 LEU A 57 9.019 -4.068 -5.464 1.00 61.44 H new ATOM 0 HD22 LEU A 57 7.285 -3.832 -5.785 1.00 61.44 H new ATOM 0 HD23 LEU A 57 8.455 -3.761 -7.123 1.00 61.44 H new ATOM 899 N VAL A 58 7.159 2.038 -8.329 1.00 53.33 N ATOM 900 CA VAL A 58 6.491 2.764 -9.426 1.00 61.13 C ATOM 901 C VAL A 58 7.519 3.061 -10.521 1.00 25.00 C ATOM 902 O VAL A 58 8.673 3.332 -10.208 1.00 3.33 O ATOM 903 CB VAL A 58 5.842 4.097 -8.884 1.00 73.51 C ATOM 904 CG1 VAL A 58 6.915 5.107 -8.409 1.00 13.43 C ATOM 905 CG2 VAL A 58 4.878 4.732 -9.917 1.00 31.01 C ATOM 0 H VAL A 58 8.021 2.480 -8.009 1.00 53.33 H new ATOM 0 HA VAL A 58 5.691 2.151 -9.843 1.00 61.13 H new ATOM 0 HB VAL A 58 5.245 3.827 -8.013 1.00 73.51 H new ATOM 0 HG11 VAL A 58 6.427 6.011 -8.044 1.00 13.43 H new ATOM 0 HG12 VAL A 58 7.503 4.662 -7.606 1.00 13.43 H new ATOM 0 HG13 VAL A 58 7.571 5.360 -9.242 1.00 13.43 H new ATOM 0 HG21 VAL A 58 4.453 5.647 -9.504 1.00 31.01 H new ATOM 0 HG22 VAL A 58 5.426 4.966 -10.830 1.00 31.01 H new ATOM 0 HG23 VAL A 58 4.076 4.030 -10.145 1.00 31.01 H new ATOM 915 N ASN A 59 7.134 2.986 -11.804 1.00 44.44 N ATOM 916 CA ASN A 59 8.099 3.202 -12.900 1.00 11.40 C ATOM 917 C ASN A 59 8.478 4.692 -13.017 1.00 23.54 C ATOM 918 O ASN A 59 7.611 5.572 -12.937 1.00 11.14 O ATOM 919 CB ASN A 59 7.619 2.591 -14.243 1.00 52.33 C ATOM 920 CG ASN A 59 6.262 3.068 -14.781 1.00 72.30 C ATOM 921 OD1 ASN A 59 5.814 4.184 -14.538 1.00 1.41 O ATOM 922 ND2 ASN A 59 5.601 2.211 -15.540 1.00 70.11 N ATOM 0 H ASN A 59 6.182 2.782 -12.108 1.00 44.44 H new ATOM 0 HA ASN A 59 9.010 2.660 -12.647 1.00 11.40 H new ATOM 0 HB2 ASN A 59 8.375 2.800 -15.000 1.00 52.33 H new ATOM 0 HB3 ASN A 59 7.575 1.508 -14.126 1.00 52.33 H new ATOM 0 HD21 ASN A 59 4.699 2.472 -15.937 1.00 70.11 H new ATOM 0 HD22 ASN A 59 5.993 1.289 -15.728 1.00 70.11 H new ATOM 929 N ASP A 60 9.799 4.944 -13.148 1.00 13.04 N ATOM 930 CA ASP A 60 10.385 6.298 -13.191 1.00 71.04 C ATOM 931 C ASP A 60 9.824 7.108 -14.373 1.00 51.04 C ATOM 932 O ASP A 60 9.631 6.578 -15.472 1.00 55.23 O ATOM 933 CB ASP A 60 11.935 6.210 -13.257 1.00 31.21 C ATOM 934 CG ASP A 60 12.628 7.562 -13.541 1.00 13.44 C ATOM 935 OD1 ASP A 60 12.627 8.442 -12.652 1.00 61.31 O ATOM 936 OD2 ASP A 60 13.165 7.750 -14.664 1.00 64.33 O ATOM 0 H ASP A 60 10.495 4.203 -13.228 1.00 13.04 H new ATOM 0 HA ASP A 60 10.109 6.822 -12.276 1.00 71.04 H new ATOM 0 HB2 ASP A 60 12.307 5.814 -12.312 1.00 31.21 H new ATOM 0 HB3 ASP A 60 12.216 5.499 -14.034 1.00 31.21 H new ATOM 941 N ASP A 61 9.576 8.391 -14.117 1.00 50.24 N ATOM 942 CA ASP A 61 8.850 9.288 -15.018 1.00 72.03 C ATOM 943 C ASP A 61 9.452 10.704 -14.908 1.00 65.23 C ATOM 944 O ASP A 61 10.163 11.000 -13.939 1.00 51.32 O ATOM 945 CB ASP A 61 7.363 9.252 -14.594 1.00 32.43 C ATOM 946 CG ASP A 61 6.400 9.979 -15.535 1.00 21.35 C ATOM 947 OD1 ASP A 61 5.942 9.369 -16.518 1.00 61.51 O ATOM 948 OD2 ASP A 61 6.057 11.137 -15.269 1.00 11.14 O ATOM 0 H ASP A 61 9.881 8.848 -13.257 1.00 50.24 H new ATOM 0 HA ASP A 61 8.932 8.982 -16.061 1.00 72.03 H new ATOM 0 HB2 ASP A 61 7.050 8.211 -14.513 1.00 32.43 H new ATOM 0 HB3 ASP A 61 7.274 9.690 -13.600 1.00 32.43 H new ATOM 953 N GLN A 62 9.153 11.576 -15.883 1.00 3.34 N ATOM 954 CA GLN A 62 9.604 12.988 -15.874 1.00 2.44 C ATOM 955 C GLN A 62 8.988 13.762 -14.689 1.00 30.22 C ATOM 956 O GLN A 62 9.655 14.571 -14.033 1.00 33.24 O ATOM 957 CB GLN A 62 9.227 13.667 -17.217 1.00 61.11 C ATOM 958 CG GLN A 62 9.971 13.090 -18.436 1.00 72.31 C ATOM 959 CD GLN A 62 9.471 13.640 -19.770 1.00 14.54 C ATOM 960 OE1 GLN A 62 9.825 14.752 -20.163 1.00 44.22 O ATOM 961 NE2 GLN A 62 8.722 12.843 -20.513 1.00 42.01 N ATOM 0 H GLN A 62 8.594 11.330 -16.700 1.00 3.34 H new ATOM 0 HA GLN A 62 10.687 13.003 -15.755 1.00 2.44 H new ATOM 0 HB2 GLN A 62 8.154 13.565 -17.376 1.00 61.11 H new ATOM 0 HB3 GLN A 62 9.438 14.734 -17.146 1.00 61.11 H new ATOM 0 HG2 GLN A 62 11.035 13.306 -18.338 1.00 72.31 H new ATOM 0 HG3 GLN A 62 9.865 12.005 -18.436 1.00 72.31 H new ATOM 0 HE21 GLN A 62 8.445 11.927 -20.159 1.00 42.01 H new ATOM 0 HE22 GLN A 62 8.421 13.144 -21.440 1.00 42.01 H new ATOM 970 N ARG A 63 7.706 13.483 -14.437 1.00 33.41 N ATOM 971 CA ARG A 63 6.915 14.111 -13.358 1.00 24.00 C ATOM 972 C ARG A 63 7.188 13.428 -12.007 1.00 1.15 C ATOM 973 O ARG A 63 6.982 14.047 -10.969 1.00 0.42 O ATOM 974 CB ARG A 63 5.386 14.090 -13.672 1.00 0.43 C ATOM 975 CG ARG A 63 4.893 15.111 -14.735 1.00 73.13 C ATOM 976 CD ARG A 63 5.458 14.878 -16.149 1.00 34.04 C ATOM 977 NE ARG A 63 5.211 13.501 -16.605 1.00 73.30 N ATOM 978 CZ ARG A 63 5.235 13.072 -17.870 1.00 72.05 C ATOM 979 NH1 ARG A 63 5.488 13.902 -18.874 1.00 24.10 N ATOM 980 NH2 ARG A 63 5.047 11.788 -18.118 1.00 62.53 N ATOM 0 H ARG A 63 7.174 12.804 -14.982 1.00 33.41 H new ATOM 0 HA ARG A 63 7.230 15.153 -13.295 1.00 24.00 H new ATOM 0 HB2 ARG A 63 5.118 13.088 -14.008 1.00 0.43 H new ATOM 0 HB3 ARG A 63 4.843 14.271 -12.745 1.00 0.43 H new ATOM 0 HG2 ARG A 63 3.805 15.073 -14.781 1.00 73.13 H new ATOM 0 HG3 ARG A 63 5.163 16.116 -14.410 1.00 73.13 H new ATOM 0 HD2 ARG A 63 5.001 15.581 -16.846 1.00 34.04 H new ATOM 0 HD3 ARG A 63 6.530 15.077 -16.152 1.00 34.04 H new ATOM 0 HE ARG A 63 5.001 12.808 -15.887 1.00 73.30 H new ATOM 0 HH11 ARG A 63 5.669 14.888 -18.687 1.00 24.10 H new ATOM 0 HH12 ARG A 63 5.502 13.554 -19.833 1.00 24.10 H new ATOM 0 HH21 ARG A 63 4.886 11.138 -17.348 1.00 62.53 H new ATOM 0 HH22 ARG A 63 5.063 11.447 -19.079 1.00 62.53 H new ATOM 994 N LEU A 64 7.611 12.138 -12.053 1.00 44.41 N ATOM 995 CA LEU A 64 7.813 11.265 -10.862 1.00 44.41 C ATOM 996 C LEU A 64 8.547 12.012 -9.725 1.00 41.22 C ATOM 997 O LEU A 64 8.049 12.069 -8.603 1.00 41.44 O ATOM 998 CB LEU A 64 8.618 9.976 -11.268 1.00 45.00 C ATOM 999 CG LEU A 64 8.264 8.626 -10.553 1.00 51.25 C ATOM 1000 CD1 LEU A 64 8.520 8.673 -9.046 1.00 34.44 C ATOM 1001 CD2 LEU A 64 6.812 8.198 -10.851 1.00 74.13 C ATOM 0 H LEU A 64 7.825 11.666 -12.931 1.00 44.41 H new ATOM 0 HA LEU A 64 6.830 10.977 -10.490 1.00 44.41 H new ATOM 0 HB2 LEU A 64 8.491 9.828 -12.340 1.00 45.00 H new ATOM 0 HB3 LEU A 64 9.676 10.176 -11.097 1.00 45.00 H new ATOM 0 HG LEU A 64 8.936 7.873 -10.965 1.00 51.25 H new ATOM 0 HD11 LEU A 64 8.258 7.713 -8.602 1.00 34.44 H new ATOM 0 HD12 LEU A 64 9.574 8.882 -8.862 1.00 34.44 H new ATOM 0 HD13 LEU A 64 7.911 9.458 -8.598 1.00 34.44 H new ATOM 0 HD21 LEU A 64 6.598 7.259 -10.341 1.00 74.13 H new ATOM 0 HD22 LEU A 64 6.126 8.968 -10.497 1.00 74.13 H new ATOM 0 HD23 LEU A 64 6.685 8.065 -11.925 1.00 74.13 H new ATOM 1013 N GLU A 65 9.706 12.616 -10.065 1.00 14.30 N ATOM 1014 CA GLU A 65 10.572 13.329 -9.101 1.00 52.52 C ATOM 1015 C GLU A 65 9.879 14.565 -8.504 1.00 23.50 C ATOM 1016 O GLU A 65 10.113 14.918 -7.343 1.00 75.24 O ATOM 1017 CB GLU A 65 11.905 13.733 -9.774 1.00 73.32 C ATOM 1018 CG GLU A 65 12.718 12.544 -10.310 1.00 43.04 C ATOM 1019 CD GLU A 65 14.099 12.961 -10.840 1.00 23.23 C ATOM 1020 OE1 GLU A 65 15.039 13.112 -10.022 1.00 54.32 O ATOM 1021 OE2 GLU A 65 14.252 13.158 -12.064 1.00 1.03 O ATOM 0 H GLU A 65 10.068 12.623 -11.018 1.00 14.30 H new ATOM 0 HA GLU A 65 10.777 12.643 -8.279 1.00 52.52 H new ATOM 0 HB2 GLU A 65 11.693 14.416 -10.597 1.00 73.32 H new ATOM 0 HB3 GLU A 65 12.513 14.281 -9.054 1.00 73.32 H new ATOM 0 HG2 GLU A 65 12.845 11.808 -9.516 1.00 43.04 H new ATOM 0 HG3 GLU A 65 12.159 12.057 -11.109 1.00 43.04 H new ATOM 1028 N GLN A 66 9.029 15.207 -9.313 1.00 61.14 N ATOM 1029 CA GLN A 66 8.248 16.384 -8.890 1.00 74.22 C ATOM 1030 C GLN A 66 7.138 15.964 -7.902 1.00 65.41 C ATOM 1031 O GLN A 66 6.819 16.702 -6.968 1.00 23.21 O ATOM 1032 CB GLN A 66 7.638 17.101 -10.125 1.00 65.13 C ATOM 1033 CG GLN A 66 8.667 17.481 -11.218 1.00 74.11 C ATOM 1034 CD GLN A 66 9.780 18.437 -10.752 1.00 14.53 C ATOM 1035 OE1 GLN A 66 10.911 18.367 -11.235 1.00 31.54 O ATOM 1036 NE2 GLN A 66 9.467 19.361 -9.847 1.00 32.14 N ATOM 0 H GLN A 66 8.860 14.929 -10.280 1.00 61.14 H new ATOM 0 HA GLN A 66 8.915 17.081 -8.383 1.00 74.22 H new ATOM 0 HB2 GLN A 66 6.879 16.455 -10.567 1.00 65.13 H new ATOM 0 HB3 GLN A 66 7.131 18.006 -9.791 1.00 65.13 H new ATOM 0 HG2 GLN A 66 9.127 16.568 -11.598 1.00 74.11 H new ATOM 0 HG3 GLN A 66 8.137 17.942 -12.052 1.00 74.11 H new ATOM 0 HE21 GLN A 66 8.523 19.399 -9.462 1.00 32.14 H new ATOM 0 HE22 GLN A 66 10.171 20.032 -9.539 1.00 32.14 H new ATOM 1045 N MET A 67 6.568 14.758 -8.128 1.00 61.42 N ATOM 1046 CA MET A 67 5.588 14.132 -7.217 1.00 70.30 C ATOM 1047 C MET A 67 6.264 13.713 -5.895 1.00 61.53 C ATOM 1048 O MET A 67 5.637 13.793 -4.837 1.00 71.01 O ATOM 1049 CB MET A 67 4.888 12.910 -7.897 1.00 3.25 C ATOM 1050 CG MET A 67 3.737 13.281 -8.853 1.00 31.13 C ATOM 1051 SD MET A 67 4.233 14.398 -10.181 1.00 20.33 S ATOM 1052 CE MET A 67 2.672 14.695 -11.015 1.00 63.25 C ATOM 0 H MET A 67 6.777 14.192 -8.950 1.00 61.42 H new ATOM 0 HA MET A 67 4.820 14.871 -6.988 1.00 70.30 H new ATOM 0 HB2 MET A 67 5.635 12.342 -8.452 1.00 3.25 H new ATOM 0 HB3 MET A 67 4.500 12.252 -7.120 1.00 3.25 H new ATOM 0 HG2 MET A 67 3.330 12.369 -9.290 1.00 31.13 H new ATOM 0 HG3 MET A 67 2.935 13.745 -8.280 1.00 31.13 H new ATOM 0 HE1 MET A 67 2.721 14.300 -12.030 1.00 63.25 H new ATOM 0 HE2 MET A 67 1.868 14.199 -10.471 1.00 63.25 H new ATOM 0 HE3 MET A 67 2.477 15.767 -11.052 1.00 63.25 H new ATOM 1062 N ILE A 68 7.545 13.278 -5.979 1.00 4.13 N ATOM 1063 CA ILE A 68 8.369 12.946 -4.793 1.00 13.33 C ATOM 1064 C ILE A 68 8.601 14.217 -3.945 1.00 3.41 C ATOM 1065 O ILE A 68 8.494 14.179 -2.720 1.00 30.31 O ATOM 1066 CB ILE A 68 9.758 12.306 -5.195 1.00 45.51 C ATOM 1067 CG1 ILE A 68 9.557 10.992 -6.011 1.00 1.22 C ATOM 1068 CG2 ILE A 68 10.659 12.043 -3.954 1.00 13.10 C ATOM 1069 CD1 ILE A 68 10.840 10.404 -6.584 1.00 25.32 C ATOM 0 H ILE A 68 8.033 13.148 -6.865 1.00 4.13 H new ATOM 0 HA ILE A 68 7.823 12.205 -4.209 1.00 13.33 H new ATOM 0 HB ILE A 68 10.270 13.032 -5.827 1.00 45.51 H new ATOM 0 HG12 ILE A 68 9.086 10.248 -5.368 1.00 1.22 H new ATOM 0 HG13 ILE A 68 8.865 11.189 -6.830 1.00 1.22 H new ATOM 0 HG21 ILE A 68 11.603 11.603 -4.276 1.00 13.10 H new ATOM 0 HG22 ILE A 68 10.854 12.984 -3.440 1.00 13.10 H new ATOM 0 HG23 ILE A 68 10.152 11.357 -3.275 1.00 13.10 H new ATOM 0 HD11 ILE A 68 10.608 9.493 -7.136 1.00 25.32 H new ATOM 0 HD12 ILE A 68 11.303 11.127 -7.255 1.00 25.32 H new ATOM 0 HD13 ILE A 68 11.528 10.171 -5.771 1.00 25.32 H new ATOM 1081 N SER A 69 8.896 15.337 -4.639 1.00 24.02 N ATOM 1082 CA SER A 69 9.132 16.655 -4.019 1.00 44.23 C ATOM 1083 C SER A 69 7.847 17.205 -3.371 1.00 23.22 C ATOM 1084 O SER A 69 7.895 17.818 -2.294 1.00 3.03 O ATOM 1085 CB SER A 69 9.665 17.646 -5.086 1.00 13.14 C ATOM 1086 OG SER A 69 10.002 18.898 -4.520 1.00 11.12 O ATOM 0 H SER A 69 8.977 15.350 -5.656 1.00 24.02 H new ATOM 0 HA SER A 69 9.877 16.537 -3.232 1.00 44.23 H new ATOM 0 HB2 SER A 69 10.542 17.219 -5.572 1.00 13.14 H new ATOM 0 HB3 SER A 69 8.910 17.788 -5.859 1.00 13.14 H new ATOM 0 HG SER A 69 10.335 19.495 -5.222 1.00 11.12 H new ATOM 1092 N GLN A 70 6.705 16.959 -4.043 1.00 12.13 N ATOM 1093 CA GLN A 70 5.379 17.410 -3.596 1.00 1.31 C ATOM 1094 C GLN A 70 5.016 16.693 -2.285 1.00 54.13 C ATOM 1095 O GLN A 70 4.655 17.333 -1.299 1.00 64.51 O ATOM 1096 CB GLN A 70 4.317 17.123 -4.713 1.00 52.24 C ATOM 1097 CG GLN A 70 2.965 17.894 -4.608 1.00 1.35 C ATOM 1098 CD GLN A 70 2.026 17.495 -3.448 1.00 31.03 C ATOM 1099 OE1 GLN A 70 1.286 18.327 -2.924 1.00 4.01 O ATOM 1100 NE2 GLN A 70 2.025 16.229 -3.052 1.00 14.53 N ATOM 0 H GLN A 70 6.681 16.437 -4.919 1.00 12.13 H new ATOM 0 HA GLN A 70 5.392 18.484 -3.412 1.00 1.31 H new ATOM 0 HB2 GLN A 70 4.767 17.355 -5.678 1.00 52.24 H new ATOM 0 HB3 GLN A 70 4.101 16.055 -4.711 1.00 52.24 H new ATOM 0 HG2 GLN A 70 3.186 18.957 -4.516 1.00 1.35 H new ATOM 0 HG3 GLN A 70 2.424 17.761 -5.545 1.00 1.35 H new ATOM 0 HE21 GLN A 70 2.646 15.554 -3.499 1.00 14.53 H new ATOM 0 HE22 GLN A 70 1.403 15.930 -2.301 1.00 14.53 H new ATOM 1109 N ILE A 71 5.133 15.354 -2.296 1.00 44.54 N ATOM 1110 CA ILE A 71 4.719 14.507 -1.166 1.00 3.31 C ATOM 1111 C ILE A 71 5.704 14.634 0.020 1.00 32.24 C ATOM 1112 O ILE A 71 5.311 14.476 1.175 1.00 24.15 O ATOM 1113 CB ILE A 71 4.545 13.007 -1.600 1.00 61.32 C ATOM 1114 CG1 ILE A 71 3.781 12.205 -0.505 1.00 2.31 C ATOM 1115 CG2 ILE A 71 5.898 12.339 -1.955 1.00 20.25 C ATOM 1116 CD1 ILE A 71 3.687 10.724 -0.760 1.00 75.30 C ATOM 0 H ILE A 71 5.515 14.831 -3.084 1.00 44.54 H new ATOM 0 HA ILE A 71 3.745 14.865 -0.831 1.00 3.31 H new ATOM 0 HB ILE A 71 3.946 12.996 -2.511 1.00 61.32 H new ATOM 0 HG12 ILE A 71 4.275 12.364 0.454 1.00 2.31 H new ATOM 0 HG13 ILE A 71 2.773 12.609 -0.415 1.00 2.31 H new ATOM 0 HG21 ILE A 71 5.726 11.303 -2.249 1.00 20.25 H new ATOM 0 HG22 ILE A 71 6.364 12.878 -2.780 1.00 20.25 H new ATOM 0 HG23 ILE A 71 6.556 12.365 -1.086 1.00 20.25 H new ATOM 0 HD11 ILE A 71 3.139 10.249 0.054 1.00 75.30 H new ATOM 0 HD12 ILE A 71 3.164 10.549 -1.700 1.00 75.30 H new ATOM 0 HD13 ILE A 71 4.690 10.300 -0.818 1.00 75.30 H new ATOM 1128 N ASP A 72 6.976 14.931 -0.297 1.00 33.33 N ATOM 1129 CA ASP A 72 8.047 15.149 0.696 1.00 40.20 C ATOM 1130 C ASP A 72 7.643 16.228 1.719 1.00 61.43 C ATOM 1131 O ASP A 72 7.807 16.047 2.932 1.00 21.45 O ATOM 1132 CB ASP A 72 9.362 15.555 -0.038 1.00 55.42 C ATOM 1133 CG ASP A 72 10.409 16.246 0.861 1.00 3.03 C ATOM 1134 OD1 ASP A 72 11.077 15.566 1.652 1.00 0.33 O ATOM 1135 OD2 ASP A 72 10.549 17.486 0.787 1.00 35.32 O ATOM 0 H ASP A 72 7.295 15.028 -1.261 1.00 33.33 H new ATOM 0 HA ASP A 72 8.212 14.221 1.243 1.00 40.20 H new ATOM 0 HB2 ASP A 72 9.809 14.663 -0.475 1.00 55.42 H new ATOM 0 HB3 ASP A 72 9.112 16.223 -0.862 1.00 55.42 H new ATOM 1140 N LYS A 73 7.083 17.336 1.211 1.00 12.40 N ATOM 1141 CA LYS A 73 6.730 18.509 2.036 1.00 43.14 C ATOM 1142 C LYS A 73 5.310 18.397 2.656 1.00 32.44 C ATOM 1143 O LYS A 73 4.730 19.403 3.075 1.00 22.32 O ATOM 1144 CB LYS A 73 6.910 19.802 1.197 1.00 24.45 C ATOM 1145 CG LYS A 73 6.069 19.864 -0.093 1.00 24.23 C ATOM 1146 CD LYS A 73 6.391 21.099 -0.965 1.00 52.14 C ATOM 1147 CE LYS A 73 7.862 21.127 -1.424 1.00 53.44 C ATOM 1148 NZ LYS A 73 8.147 22.271 -2.331 1.00 70.24 N ATOM 0 H LYS A 73 6.861 17.448 0.222 1.00 12.40 H new ATOM 0 HA LYS A 73 7.410 18.549 2.887 1.00 43.14 H new ATOM 0 HB2 LYS A 73 6.656 20.660 1.820 1.00 24.45 H new ATOM 0 HB3 LYS A 73 7.963 19.901 0.932 1.00 24.45 H new ATOM 0 HG2 LYS A 73 6.241 18.959 -0.676 1.00 24.23 H new ATOM 0 HG3 LYS A 73 5.011 19.877 0.170 1.00 24.23 H new ATOM 0 HD2 LYS A 73 5.740 21.103 -1.839 1.00 52.14 H new ATOM 0 HD3 LYS A 73 6.172 22.006 -0.401 1.00 52.14 H new ATOM 0 HE2 LYS A 73 8.512 21.187 -0.551 1.00 53.44 H new ATOM 0 HE3 LYS A 73 8.099 20.193 -1.934 1.00 53.44 H new ATOM 0 HZ1 LYS A 73 9.148 22.249 -2.614 1.00 70.24 H new ATOM 0 HZ2 LYS A 73 7.546 22.201 -3.177 1.00 70.24 H new ATOM 0 HZ3 LYS A 73 7.946 23.164 -1.837 1.00 70.24 H new ATOM 1162 N LEU A 74 4.770 17.160 2.736 1.00 33.25 N ATOM 1163 CA LEU A 74 3.509 16.856 3.458 1.00 11.33 C ATOM 1164 C LEU A 74 3.796 16.622 4.958 1.00 1.51 C ATOM 1165 O LEU A 74 4.898 16.215 5.330 1.00 30.24 O ATOM 1166 CB LEU A 74 2.777 15.620 2.819 1.00 65.33 C ATOM 1167 CG LEU A 74 1.656 15.943 1.772 1.00 43.04 C ATOM 1168 CD1 LEU A 74 0.458 16.653 2.442 1.00 21.10 C ATOM 1169 CD2 LEU A 74 2.196 16.772 0.588 1.00 11.42 C ATOM 0 H LEU A 74 5.196 16.341 2.302 1.00 33.25 H new ATOM 0 HA LEU A 74 2.842 17.714 3.367 1.00 11.33 H new ATOM 0 HB2 LEU A 74 3.525 14.991 2.336 1.00 65.33 H new ATOM 0 HB3 LEU A 74 2.335 15.031 3.623 1.00 65.33 H new ATOM 0 HG LEU A 74 1.307 14.992 1.370 1.00 43.04 H new ATOM 0 HD11 LEU A 74 -0.305 16.865 1.693 1.00 21.10 H new ATOM 0 HD12 LEU A 74 0.038 16.008 3.214 1.00 21.10 H new ATOM 0 HD13 LEU A 74 0.794 17.587 2.892 1.00 21.10 H new ATOM 0 HD21 LEU A 74 1.387 16.974 -0.114 1.00 11.42 H new ATOM 0 HD22 LEU A 74 2.599 17.715 0.958 1.00 11.42 H new ATOM 0 HD23 LEU A 74 2.984 16.214 0.083 1.00 11.42 H new ATOM 1181 N GLU A 75 2.779 16.888 5.797 1.00 3.22 N ATOM 1182 CA GLU A 75 2.882 16.814 7.275 1.00 65.03 C ATOM 1183 C GLU A 75 2.930 15.356 7.765 1.00 44.34 C ATOM 1184 O GLU A 75 3.606 15.038 8.750 1.00 35.33 O ATOM 1185 CB GLU A 75 1.677 17.558 7.906 1.00 10.13 C ATOM 1186 CG GLU A 75 1.603 19.057 7.535 1.00 52.11 C ATOM 1187 CD GLU A 75 0.360 19.757 8.110 1.00 1.53 C ATOM 1188 OE1 GLU A 75 0.404 20.211 9.272 1.00 12.34 O ATOM 1189 OE2 GLU A 75 -0.673 19.834 7.409 1.00 60.02 O ATOM 0 H GLU A 75 1.853 17.163 5.471 1.00 3.22 H new ATOM 0 HA GLU A 75 3.812 17.291 7.584 1.00 65.03 H new ATOM 0 HB2 GLU A 75 0.755 17.070 7.590 1.00 10.13 H new ATOM 0 HB3 GLU A 75 1.732 17.464 8.991 1.00 10.13 H new ATOM 0 HG2 GLU A 75 2.498 19.561 7.900 1.00 52.11 H new ATOM 0 HG3 GLU A 75 1.600 19.157 6.450 1.00 52.11 H new ATOM 1196 N ASP A 76 2.186 14.497 7.068 1.00 11.22 N ATOM 1197 CA ASP A 76 2.131 13.047 7.323 1.00 62.22 C ATOM 1198 C ASP A 76 3.488 12.379 7.048 1.00 41.02 C ATOM 1199 O ASP A 76 3.975 11.584 7.869 1.00 3.34 O ATOM 1200 CB ASP A 76 1.002 12.405 6.477 1.00 22.24 C ATOM 1201 CG ASP A 76 1.007 12.859 5.005 1.00 13.35 C ATOM 1202 OD1 ASP A 76 0.513 13.974 4.732 1.00 44.30 O ATOM 1203 OD2 ASP A 76 1.489 12.125 4.124 1.00 72.32 O ATOM 0 H ASP A 76 1.591 14.790 6.293 1.00 11.22 H new ATOM 0 HA ASP A 76 1.906 12.888 8.378 1.00 62.22 H new ATOM 0 HB2 ASP A 76 1.102 11.320 6.515 1.00 22.24 H new ATOM 0 HB3 ASP A 76 0.039 12.653 6.923 1.00 22.24 H new ATOM 1208 N VAL A 77 4.083 12.719 5.894 1.00 65.00 N ATOM 1209 CA VAL A 77 5.425 12.283 5.513 1.00 74.52 C ATOM 1210 C VAL A 77 6.468 12.934 6.436 1.00 11.34 C ATOM 1211 O VAL A 77 6.737 14.138 6.349 1.00 24.50 O ATOM 1212 CB VAL A 77 5.727 12.621 4.005 1.00 64.42 C ATOM 1213 CG1 VAL A 77 7.210 12.366 3.628 1.00 5.34 C ATOM 1214 CG2 VAL A 77 4.787 11.820 3.074 1.00 53.11 C ATOM 0 H VAL A 77 3.636 13.312 5.195 1.00 65.00 H new ATOM 0 HA VAL A 77 5.480 11.200 5.625 1.00 74.52 H new ATOM 0 HB VAL A 77 5.541 13.687 3.871 1.00 64.42 H new ATOM 0 HG11 VAL A 77 7.366 12.614 2.578 1.00 5.34 H new ATOM 0 HG12 VAL A 77 7.855 12.988 4.248 1.00 5.34 H new ATOM 0 HG13 VAL A 77 7.452 11.316 3.792 1.00 5.34 H new ATOM 0 HG21 VAL A 77 5.008 12.065 2.035 1.00 53.11 H new ATOM 0 HG22 VAL A 77 4.938 10.753 3.235 1.00 53.11 H new ATOM 0 HG23 VAL A 77 3.751 12.077 3.294 1.00 53.11 H new ATOM 1224 N VAL A 78 7.005 12.121 7.349 1.00 41.30 N ATOM 1225 CA VAL A 78 8.094 12.517 8.251 1.00 23.55 C ATOM 1226 C VAL A 78 9.390 12.691 7.435 1.00 11.14 C ATOM 1227 O VAL A 78 10.105 13.688 7.587 1.00 55.31 O ATOM 1228 CB VAL A 78 8.313 11.443 9.387 1.00 5.13 C ATOM 1229 CG1 VAL A 78 9.348 11.922 10.435 1.00 61.30 C ATOM 1230 CG2 VAL A 78 6.968 11.065 10.057 1.00 61.03 C ATOM 0 H VAL A 78 6.694 11.159 7.486 1.00 41.30 H new ATOM 0 HA VAL A 78 7.826 13.460 8.728 1.00 23.55 H new ATOM 0 HB VAL A 78 8.720 10.547 8.919 1.00 5.13 H new ATOM 0 HG11 VAL A 78 9.472 11.156 11.201 1.00 61.30 H new ATOM 0 HG12 VAL A 78 10.305 12.103 9.945 1.00 61.30 H new ATOM 0 HG13 VAL A 78 8.997 12.844 10.898 1.00 61.30 H new ATOM 0 HG21 VAL A 78 7.145 10.324 10.836 1.00 61.03 H new ATOM 0 HG22 VAL A 78 6.519 11.955 10.498 1.00 61.03 H new ATOM 0 HG23 VAL A 78 6.293 10.650 9.309 1.00 61.03 H new ATOM 1240 N LYS A 79 9.660 11.704 6.552 1.00 33.41 N ATOM 1241 CA LYS A 79 10.851 11.660 5.676 1.00 34.31 C ATOM 1242 C LYS A 79 10.507 10.929 4.368 1.00 60.14 C ATOM 1243 O LYS A 79 9.626 10.068 4.347 1.00 20.12 O ATOM 1244 CB LYS A 79 12.050 10.927 6.360 1.00 2.03 C ATOM 1245 CG LYS A 79 12.638 11.640 7.598 1.00 22.22 C ATOM 1246 CD LYS A 79 13.838 10.887 8.211 1.00 33.41 C ATOM 1247 CE LYS A 79 14.413 11.598 9.449 1.00 44.25 C ATOM 1248 NZ LYS A 79 15.627 10.911 9.957 1.00 11.13 N ATOM 0 H LYS A 79 9.044 10.901 6.426 1.00 33.41 H new ATOM 0 HA LYS A 79 11.146 12.690 5.474 1.00 34.31 H new ATOM 0 HB2 LYS A 79 11.724 9.930 6.656 1.00 2.03 H new ATOM 0 HB3 LYS A 79 12.844 10.798 5.624 1.00 2.03 H new ATOM 0 HG2 LYS A 79 12.951 12.645 7.317 1.00 22.22 H new ATOM 0 HG3 LYS A 79 11.859 11.748 8.353 1.00 22.22 H new ATOM 0 HD2 LYS A 79 13.527 9.879 8.487 1.00 33.41 H new ATOM 0 HD3 LYS A 79 14.621 10.785 7.459 1.00 33.41 H new ATOM 0 HE2 LYS A 79 14.657 12.630 9.197 1.00 44.25 H new ATOM 0 HE3 LYS A 79 13.658 11.632 10.234 1.00 44.25 H new ATOM 0 HZ1 LYS A 79 15.988 11.416 10.791 1.00 11.13 H new ATOM 0 HZ2 LYS A 79 15.388 9.934 10.221 1.00 11.13 H new ATOM 0 HZ3 LYS A 79 16.356 10.901 9.216 1.00 11.13 H new ATOM 1262 N VAL A 80 11.201 11.288 3.282 1.00 42.53 N ATOM 1263 CA VAL A 80 11.167 10.538 2.007 1.00 71.44 C ATOM 1264 C VAL A 80 12.573 9.962 1.741 1.00 51.01 C ATOM 1265 O VAL A 80 13.572 10.553 2.173 1.00 62.51 O ATOM 1266 CB VAL A 80 10.722 11.448 0.790 1.00 23.42 C ATOM 1267 CG1 VAL A 80 11.740 12.576 0.504 1.00 31.44 C ATOM 1268 CG2 VAL A 80 10.460 10.603 -0.483 1.00 1.32 C ATOM 0 H VAL A 80 11.806 12.109 3.256 1.00 42.53 H new ATOM 0 HA VAL A 80 10.430 9.740 2.096 1.00 71.44 H new ATOM 0 HB VAL A 80 9.784 11.923 1.079 1.00 23.42 H new ATOM 0 HG11 VAL A 80 11.393 13.174 -0.339 1.00 31.44 H new ATOM 0 HG12 VAL A 80 11.836 13.211 1.385 1.00 31.44 H new ATOM 0 HG13 VAL A 80 12.709 12.139 0.264 1.00 31.44 H new ATOM 0 HG21 VAL A 80 10.156 11.259 -1.299 1.00 1.32 H new ATOM 0 HG22 VAL A 80 11.371 10.074 -0.762 1.00 1.32 H new ATOM 0 HG23 VAL A 80 9.668 9.881 -0.284 1.00 1.32 H new ATOM 1278 N GLN A 81 12.661 8.818 1.047 1.00 54.23 N ATOM 1279 CA GLN A 81 13.963 8.261 0.617 1.00 41.03 C ATOM 1280 C GLN A 81 13.800 7.464 -0.683 1.00 71.53 C ATOM 1281 O GLN A 81 12.959 6.563 -0.778 1.00 51.43 O ATOM 1282 CB GLN A 81 14.616 7.411 1.744 1.00 42.05 C ATOM 1283 CG GLN A 81 15.966 6.755 1.366 1.00 3.31 C ATOM 1284 CD GLN A 81 16.703 6.146 2.562 1.00 1.24 C ATOM 1285 OE1 GLN A 81 17.486 6.820 3.224 1.00 21.21 O ATOM 1286 NE2 GLN A 81 16.476 4.877 2.842 1.00 11.10 N ATOM 0 H GLN A 81 11.854 8.259 0.770 1.00 54.23 H new ATOM 0 HA GLN A 81 14.643 9.089 0.416 1.00 41.03 H new ATOM 0 HB2 GLN A 81 14.769 8.047 2.616 1.00 42.05 H new ATOM 0 HB3 GLN A 81 13.918 6.628 2.039 1.00 42.05 H new ATOM 0 HG2 GLN A 81 15.788 5.977 0.624 1.00 3.31 H new ATOM 0 HG3 GLN A 81 16.606 7.502 0.897 1.00 3.31 H new ATOM 0 HE21 GLN A 81 15.820 4.339 2.276 1.00 11.10 H new ATOM 0 HE22 GLN A 81 16.956 4.434 3.625 1.00 11.10 H new ATOM 1295 N ARG A 82 14.611 7.829 -1.687 1.00 11.42 N ATOM 1296 CA ARG A 82 14.604 7.202 -3.014 1.00 14.12 C ATOM 1297 C ARG A 82 15.672 6.097 -3.050 1.00 62.31 C ATOM 1298 O ARG A 82 16.800 6.304 -2.584 1.00 71.50 O ATOM 1299 CB ARG A 82 14.894 8.264 -4.109 1.00 64.11 C ATOM 1300 CG ARG A 82 14.023 9.536 -4.024 1.00 54.24 C ATOM 1301 CD ARG A 82 14.366 10.566 -5.119 1.00 63.05 C ATOM 1302 NE ARG A 82 15.805 10.905 -5.143 1.00 40.13 N ATOM 1303 CZ ARG A 82 16.343 11.979 -5.737 1.00 1.43 C ATOM 1304 NH1 ARG A 82 15.584 12.873 -6.367 1.00 32.54 N ATOM 1305 NH2 ARG A 82 17.657 12.144 -5.705 1.00 0.23 N ATOM 0 H ARG A 82 15.298 8.577 -1.598 1.00 11.42 H new ATOM 0 HA ARG A 82 13.623 6.768 -3.208 1.00 14.12 H new ATOM 0 HB2 ARG A 82 15.943 8.554 -4.045 1.00 64.11 H new ATOM 0 HB3 ARG A 82 14.749 7.806 -5.087 1.00 64.11 H new ATOM 0 HG2 ARG A 82 12.972 9.258 -4.108 1.00 54.24 H new ATOM 0 HG3 ARG A 82 14.153 9.996 -3.044 1.00 54.24 H new ATOM 0 HD2 ARG A 82 14.073 10.170 -6.091 1.00 63.05 H new ATOM 0 HD3 ARG A 82 13.784 11.473 -4.956 1.00 63.05 H new ATOM 0 HE ARG A 82 16.443 10.267 -4.667 1.00 40.13 H new ATOM 0 HH11 ARG A 82 14.572 12.747 -6.404 1.00 32.54 H new ATOM 0 HH12 ARG A 82 16.014 13.684 -6.813 1.00 32.54 H new ATOM 0 HH21 ARG A 82 18.246 11.458 -5.232 1.00 0.23 H new ATOM 0 HH22 ARG A 82 18.080 12.957 -6.153 1.00 0.23 H new ATOM 1319 N ASN A 83 15.306 4.930 -3.595 1.00 40.34 N ATOM 1320 CA ASN A 83 16.198 3.749 -3.704 1.00 72.22 C ATOM 1321 C ASN A 83 16.076 3.154 -5.120 1.00 54.21 C ATOM 1322 O ASN A 83 15.030 3.306 -5.772 1.00 24.12 O ATOM 1323 CB ASN A 83 15.838 2.655 -2.648 1.00 63.23 C ATOM 1324 CG ASN A 83 15.826 3.154 -1.198 1.00 64.40 C ATOM 1325 OD1 ASN A 83 16.838 3.128 -0.505 1.00 55.42 O ATOM 1326 ND2 ASN A 83 14.677 3.619 -0.733 1.00 30.52 N ATOM 0 H ASN A 83 14.375 4.769 -3.979 1.00 40.34 H new ATOM 0 HA ASN A 83 17.220 4.075 -3.513 1.00 72.22 H new ATOM 0 HB2 ASN A 83 14.856 2.246 -2.887 1.00 63.23 H new ATOM 0 HB3 ASN A 83 16.553 1.837 -2.732 1.00 63.23 H new ATOM 0 HD21 ASN A 83 14.618 3.968 0.224 1.00 30.52 H new ATOM 0 HD22 ASN A 83 13.851 3.629 -1.332 1.00 30.52 H new ATOM 1333 N GLN A 84 17.141 2.481 -5.588 1.00 52.52 N ATOM 1334 CA GLN A 84 17.120 1.749 -6.870 1.00 11.41 C ATOM 1335 C GLN A 84 16.550 0.341 -6.627 1.00 43.11 C ATOM 1336 O GLN A 84 16.698 -0.208 -5.528 1.00 21.41 O ATOM 1337 CB GLN A 84 18.550 1.661 -7.470 1.00 44.02 C ATOM 1338 CG GLN A 84 18.640 0.923 -8.822 1.00 54.35 C ATOM 1339 CD GLN A 84 20.066 0.805 -9.346 1.00 74.13 C ATOM 1340 OE1 GLN A 84 20.547 1.678 -10.072 1.00 0.34 O ATOM 1341 NE2 GLN A 84 20.759 -0.262 -8.972 1.00 43.22 N ATOM 0 H GLN A 84 18.033 2.428 -5.096 1.00 52.52 H new ATOM 0 HA GLN A 84 16.490 2.280 -7.584 1.00 11.41 H new ATOM 0 HB2 GLN A 84 18.938 2.672 -7.597 1.00 44.02 H new ATOM 0 HB3 GLN A 84 19.199 1.158 -6.753 1.00 44.02 H new ATOM 0 HG2 GLN A 84 18.216 -0.075 -8.713 1.00 54.35 H new ATOM 0 HG3 GLN A 84 18.032 1.449 -9.557 1.00 54.35 H new ATOM 0 HE21 GLN A 84 20.329 -0.964 -8.370 1.00 43.22 H new ATOM 0 HE22 GLN A 84 21.722 -0.380 -9.286 1.00 43.22 H new ATOM 1350 N SER A 85 15.863 -0.220 -7.635 1.00 52.23 N ATOM 1351 CA SER A 85 15.218 -1.530 -7.515 1.00 63.43 C ATOM 1352 C SER A 85 16.222 -2.664 -7.721 1.00 31.23 C ATOM 1353 O SER A 85 16.944 -2.705 -8.725 1.00 73.01 O ATOM 1354 CB SER A 85 14.038 -1.643 -8.488 1.00 40.22 C ATOM 1355 OG SER A 85 13.358 -2.879 -8.339 1.00 74.41 O ATOM 0 H SER A 85 15.742 0.220 -8.547 1.00 52.23 H new ATOM 0 HA SER A 85 14.828 -1.624 -6.502 1.00 63.43 H new ATOM 0 HB2 SER A 85 13.343 -0.821 -8.316 1.00 40.22 H new ATOM 0 HB3 SER A 85 14.399 -1.546 -9.512 1.00 40.22 H new ATOM 0 HG SER A 85 12.432 -2.782 -8.644 1.00 74.41 H new ATOM 1361 N ASP A 86 16.252 -3.563 -6.727 1.00 20.51 N ATOM 1362 CA ASP A 86 17.090 -4.764 -6.693 1.00 4.52 C ATOM 1363 C ASP A 86 16.249 -5.907 -6.086 1.00 55.40 C ATOM 1364 O ASP A 86 15.455 -5.650 -5.165 1.00 74.53 O ATOM 1365 CB ASP A 86 18.389 -4.521 -5.853 1.00 42.13 C ATOM 1366 CG ASP A 86 19.464 -3.717 -6.616 1.00 34.54 C ATOM 1367 OD1 ASP A 86 19.417 -2.464 -6.620 1.00 71.51 O ATOM 1368 OD2 ASP A 86 20.356 -4.341 -7.234 1.00 12.43 O ATOM 0 H ASP A 86 15.670 -3.467 -5.895 1.00 20.51 H new ATOM 0 HA ASP A 86 17.410 -5.025 -7.702 1.00 4.52 H new ATOM 0 HB2 ASP A 86 18.128 -3.990 -4.938 1.00 42.13 H new ATOM 0 HB3 ASP A 86 18.807 -5.483 -5.555 1.00 42.13 H new ATOM 1373 N PRO A 87 16.406 -7.187 -6.577 1.00 55.11 N ATOM 1374 CA PRO A 87 15.590 -8.347 -6.101 1.00 31.22 C ATOM 1375 C PRO A 87 15.760 -8.612 -4.590 1.00 3.44 C ATOM 1376 O PRO A 87 14.815 -9.032 -3.908 1.00 31.24 O ATOM 1377 CB PRO A 87 16.124 -9.536 -6.958 1.00 73.44 C ATOM 1378 CG PRO A 87 17.487 -9.096 -7.423 1.00 75.35 C ATOM 1379 CD PRO A 87 17.374 -7.603 -7.636 1.00 4.52 C ATOM 0 HA PRO A 87 14.520 -8.177 -6.220 1.00 31.22 H new ATOM 0 HB2 PRO A 87 16.184 -10.452 -6.370 1.00 73.44 H new ATOM 0 HB3 PRO A 87 15.466 -9.742 -7.802 1.00 73.44 H new ATOM 0 HG2 PRO A 87 18.250 -9.331 -6.681 1.00 75.35 H new ATOM 0 HG3 PRO A 87 17.771 -9.604 -8.344 1.00 75.35 H new ATOM 0 HD2 PRO A 87 18.337 -7.105 -7.522 1.00 4.52 H new ATOM 0 HD3 PRO A 87 17.008 -7.364 -8.634 1.00 4.52 H new ATOM 1387 N THR A 88 16.964 -8.323 -4.083 1.00 73.32 N ATOM 1388 CA THR A 88 17.320 -8.551 -2.683 1.00 44.50 C ATOM 1389 C THR A 88 16.716 -7.482 -1.758 1.00 32.21 C ATOM 1390 O THR A 88 16.380 -7.792 -0.617 1.00 22.43 O ATOM 1391 CB THR A 88 18.859 -8.565 -2.502 1.00 42.12 C ATOM 1392 OG1 THR A 88 19.412 -7.335 -3.004 1.00 72.31 O ATOM 1393 CG2 THR A 88 19.516 -9.758 -3.228 1.00 60.32 C ATOM 0 H THR A 88 17.721 -7.922 -4.637 1.00 73.32 H new ATOM 0 HA THR A 88 16.909 -9.522 -2.408 1.00 44.50 H new ATOM 0 HB THR A 88 19.067 -8.668 -1.437 1.00 42.12 H new ATOM 0 HG1 THR A 88 20.385 -7.343 -2.888 1.00 72.31 H new ATOM 0 HG21 THR A 88 20.595 -9.728 -3.074 1.00 60.32 H new ATOM 0 HG22 THR A 88 19.118 -10.691 -2.828 1.00 60.32 H new ATOM 0 HG23 THR A 88 19.300 -9.699 -4.295 1.00 60.32 H new ATOM 1401 N MET A 89 16.594 -6.230 -2.274 1.00 41.54 N ATOM 1402 CA MET A 89 16.062 -5.075 -1.515 1.00 32.41 C ATOM 1403 C MET A 89 14.698 -5.410 -0.883 1.00 41.42 C ATOM 1404 O MET A 89 14.515 -5.251 0.332 1.00 61.22 O ATOM 1405 CB MET A 89 15.945 -3.829 -2.445 1.00 32.11 C ATOM 1406 CG MET A 89 15.279 -2.587 -1.807 1.00 33.45 C ATOM 1407 SD MET A 89 16.117 -2.023 -0.307 1.00 33.11 S ATOM 1408 CE MET A 89 15.115 -0.608 0.171 1.00 2.34 C ATOM 0 H MET A 89 16.863 -5.997 -3.230 1.00 41.54 H new ATOM 0 HA MET A 89 16.757 -4.846 -0.707 1.00 32.41 H new ATOM 0 HB2 MET A 89 16.944 -3.552 -2.781 1.00 32.11 H new ATOM 0 HB3 MET A 89 15.377 -4.110 -3.332 1.00 32.11 H new ATOM 0 HG2 MET A 89 15.265 -1.776 -2.535 1.00 33.45 H new ATOM 0 HG3 MET A 89 14.241 -2.820 -1.570 1.00 33.45 H new ATOM 0 HE1 MET A 89 15.521 -0.166 1.081 1.00 2.34 H new ATOM 0 HE2 MET A 89 15.126 0.133 -0.629 1.00 2.34 H new ATOM 0 HE3 MET A 89 14.090 -0.932 0.351 1.00 2.34 H new ATOM 1418 N PHE A 90 13.788 -5.945 -1.725 1.00 44.32 N ATOM 1419 CA PHE A 90 12.424 -6.306 -1.315 1.00 65.42 C ATOM 1420 C PHE A 90 12.435 -7.404 -0.230 1.00 51.42 C ATOM 1421 O PHE A 90 11.723 -7.297 0.775 1.00 31.14 O ATOM 1422 CB PHE A 90 11.584 -6.758 -2.546 1.00 24.00 C ATOM 1423 CG PHE A 90 10.146 -7.164 -2.194 1.00 65.42 C ATOM 1424 CD1 PHE A 90 9.144 -6.199 -2.056 1.00 31.31 C ATOM 1425 CD2 PHE A 90 9.804 -8.505 -1.978 1.00 45.33 C ATOM 1426 CE1 PHE A 90 7.854 -6.563 -1.712 1.00 30.14 C ATOM 1427 CE2 PHE A 90 8.516 -8.862 -1.635 1.00 44.30 C ATOM 1428 CZ PHE A 90 7.543 -7.894 -1.504 1.00 62.32 C ATOM 0 H PHE A 90 13.984 -6.137 -2.708 1.00 44.32 H new ATOM 0 HA PHE A 90 11.959 -5.419 -0.885 1.00 65.42 H new ATOM 0 HB2 PHE A 90 11.556 -5.947 -3.273 1.00 24.00 H new ATOM 0 HB3 PHE A 90 12.083 -7.600 -3.026 1.00 24.00 H new ATOM 0 HD1 PHE A 90 9.379 -5.158 -2.220 1.00 31.31 H new ATOM 0 HD2 PHE A 90 10.559 -9.270 -2.081 1.00 45.33 H new ATOM 0 HE1 PHE A 90 7.090 -5.807 -1.606 1.00 30.14 H new ATOM 0 HE2 PHE A 90 8.270 -9.900 -1.469 1.00 44.30 H new ATOM 0 HZ PHE A 90 6.535 -8.176 -1.238 1.00 62.32 H new ATOM 1438 N ASN A 91 13.259 -8.451 -0.434 1.00 1.34 N ATOM 1439 CA ASN A 91 13.240 -9.638 0.439 1.00 21.05 C ATOM 1440 C ASN A 91 13.896 -9.328 1.798 1.00 24.11 C ATOM 1441 O ASN A 91 13.470 -9.854 2.824 1.00 65.33 O ATOM 1442 CB ASN A 91 13.927 -10.839 -0.254 1.00 61.23 C ATOM 1443 CG ASN A 91 13.845 -12.128 0.582 1.00 31.22 C ATOM 1444 OD1 ASN A 91 14.742 -12.435 1.368 1.00 35.51 O ATOM 1445 ND2 ASN A 91 12.757 -12.870 0.442 1.00 14.53 N ATOM 0 H ASN A 91 13.941 -8.498 -1.191 1.00 1.34 H new ATOM 0 HA ASN A 91 12.201 -9.910 0.625 1.00 21.05 H new ATOM 0 HB2 ASN A 91 13.461 -11.009 -1.225 1.00 61.23 H new ATOM 0 HB3 ASN A 91 14.973 -10.597 -0.441 1.00 61.23 H new ATOM 0 HD21 ASN A 91 12.646 -13.721 0.993 1.00 14.53 H new ATOM 0 HD22 ASN A 91 12.030 -12.591 -0.217 1.00 14.53 H new ATOM 1452 N LYS A 92 14.901 -8.433 1.778 1.00 22.45 N ATOM 1453 CA LYS A 92 15.676 -8.039 2.965 1.00 25.34 C ATOM 1454 C LYS A 92 14.784 -7.276 3.965 1.00 25.44 C ATOM 1455 O LYS A 92 14.720 -7.627 5.142 1.00 62.14 O ATOM 1456 CB LYS A 92 16.916 -7.195 2.519 1.00 52.41 C ATOM 1457 CG LYS A 92 17.888 -6.743 3.651 1.00 54.21 C ATOM 1458 CD LYS A 92 17.549 -5.345 4.237 1.00 23.32 C ATOM 1459 CE LYS A 92 18.524 -4.911 5.341 1.00 74.23 C ATOM 1460 NZ LYS A 92 18.228 -3.544 5.841 1.00 62.33 N ATOM 0 H LYS A 92 15.200 -7.959 0.926 1.00 22.45 H new ATOM 0 HA LYS A 92 16.039 -8.929 3.480 1.00 25.34 H new ATOM 0 HB2 LYS A 92 17.483 -7.778 1.794 1.00 52.41 H new ATOM 0 HB3 LYS A 92 16.556 -6.306 2.002 1.00 52.41 H new ATOM 0 HG2 LYS A 92 17.866 -7.480 4.454 1.00 54.21 H new ATOM 0 HG3 LYS A 92 18.906 -6.728 3.261 1.00 54.21 H new ATOM 0 HD2 LYS A 92 17.563 -4.607 3.435 1.00 23.32 H new ATOM 0 HD3 LYS A 92 16.536 -5.360 4.639 1.00 23.32 H new ATOM 0 HE2 LYS A 92 18.472 -5.618 6.169 1.00 74.23 H new ATOM 0 HE3 LYS A 92 19.544 -4.943 4.957 1.00 74.23 H new ATOM 0 HZ1 LYS A 92 18.910 -3.291 6.585 1.00 62.33 H new ATOM 0 HZ2 LYS A 92 18.302 -2.864 5.058 1.00 62.33 H new ATOM 0 HZ3 LYS A 92 17.264 -3.518 6.231 1.00 62.33 H new ATOM 1474 N ILE A 93 14.080 -6.247 3.477 1.00 71.23 N ATOM 1475 CA ILE A 93 13.193 -5.414 4.318 1.00 21.01 C ATOM 1476 C ILE A 93 11.962 -6.217 4.796 1.00 71.42 C ATOM 1477 O ILE A 93 11.427 -5.955 5.880 1.00 42.04 O ATOM 1478 CB ILE A 93 12.764 -4.116 3.541 1.00 24.43 C ATOM 1479 CG1 ILE A 93 11.964 -4.493 2.252 1.00 41.04 C ATOM 1480 CG2 ILE A 93 14.006 -3.249 3.214 1.00 41.51 C ATOM 1481 CD1 ILE A 93 11.842 -3.408 1.194 1.00 71.22 C ATOM 0 H ILE A 93 14.104 -5.965 2.497 1.00 71.23 H new ATOM 0 HA ILE A 93 13.747 -5.111 5.206 1.00 21.01 H new ATOM 0 HB ILE A 93 12.105 -3.522 4.175 1.00 24.43 H new ATOM 0 HG12 ILE A 93 12.438 -5.363 1.797 1.00 41.04 H new ATOM 0 HG13 ILE A 93 10.960 -4.796 2.549 1.00 41.04 H new ATOM 0 HG21 ILE A 93 13.694 -2.354 2.676 1.00 41.51 H new ATOM 0 HG22 ILE A 93 14.503 -2.961 4.140 1.00 41.51 H new ATOM 0 HG23 ILE A 93 14.697 -3.822 2.595 1.00 41.51 H new ATOM 0 HD11 ILE A 93 11.267 -3.787 0.349 1.00 71.22 H new ATOM 0 HD12 ILE A 93 11.335 -2.541 1.618 1.00 71.22 H new ATOM 0 HD13 ILE A 93 12.836 -3.117 0.855 1.00 71.22 H new ATOM 1493 N ALA A 94 11.542 -7.204 3.976 1.00 52.22 N ATOM 1494 CA ALA A 94 10.417 -8.094 4.293 1.00 3.43 C ATOM 1495 C ALA A 94 10.783 -9.117 5.390 1.00 63.11 C ATOM 1496 O ALA A 94 9.960 -9.406 6.271 1.00 35.20 O ATOM 1497 CB ALA A 94 9.947 -8.808 3.017 1.00 24.14 C ATOM 0 H ALA A 94 11.978 -7.402 3.075 1.00 52.22 H new ATOM 0 HA ALA A 94 9.603 -7.485 4.686 1.00 3.43 H new ATOM 0 HB1 ALA A 94 9.112 -9.467 3.255 1.00 24.14 H new ATOM 0 HB2 ALA A 94 9.627 -8.068 2.283 1.00 24.14 H new ATOM 0 HB3 ALA A 94 10.768 -9.396 2.606 1.00 24.14 H new ATOM 1503 N VAL A 95 12.017 -9.667 5.337 1.00 11.24 N ATOM 1504 CA VAL A 95 12.462 -10.696 6.298 1.00 12.33 C ATOM 1505 C VAL A 95 12.878 -10.052 7.640 1.00 52.13 C ATOM 1506 O VAL A 95 12.711 -10.661 8.701 1.00 22.21 O ATOM 1507 CB VAL A 95 13.624 -11.608 5.725 1.00 15.41 C ATOM 1508 CG1 VAL A 95 14.944 -10.828 5.534 1.00 40.12 C ATOM 1509 CG2 VAL A 95 13.843 -12.859 6.608 1.00 2.35 C ATOM 0 H VAL A 95 12.719 -9.415 4.641 1.00 11.24 H new ATOM 0 HA VAL A 95 11.608 -11.351 6.473 1.00 12.33 H new ATOM 0 HB VAL A 95 13.304 -11.940 4.737 1.00 15.41 H new ATOM 0 HG11 VAL A 95 15.708 -11.497 5.139 1.00 40.12 H new ATOM 0 HG12 VAL A 95 14.784 -10.008 4.834 1.00 40.12 H new ATOM 0 HG13 VAL A 95 15.272 -10.428 6.493 1.00 40.12 H new ATOM 0 HG21 VAL A 95 14.647 -13.464 6.188 1.00 2.35 H new ATOM 0 HG22 VAL A 95 14.112 -12.549 7.618 1.00 2.35 H new ATOM 0 HG23 VAL A 95 12.925 -13.446 6.641 1.00 2.35 H new ATOM 1519 N PHE A 96 13.422 -8.815 7.587 1.00 3.21 N ATOM 1520 CA PHE A 96 13.798 -8.064 8.801 1.00 33.34 C ATOM 1521 C PHE A 96 12.541 -7.587 9.540 1.00 21.21 C ATOM 1522 O PHE A 96 12.418 -7.808 10.752 1.00 23.32 O ATOM 1523 CB PHE A 96 14.711 -6.844 8.455 1.00 72.41 C ATOM 1524 CG PHE A 96 16.206 -7.167 8.307 1.00 65.22 C ATOM 1525 CD1 PHE A 96 16.655 -8.152 7.425 1.00 1.01 C ATOM 1526 CD2 PHE A 96 17.164 -6.466 9.041 1.00 71.02 C ATOM 1527 CE1 PHE A 96 18.004 -8.429 7.291 1.00 52.40 C ATOM 1528 CE2 PHE A 96 18.512 -6.746 8.908 1.00 11.33 C ATOM 1529 CZ PHE A 96 18.932 -7.726 8.031 1.00 3.14 C ATOM 0 H PHE A 96 13.609 -8.318 6.716 1.00 3.21 H new ATOM 0 HA PHE A 96 14.362 -8.735 9.448 1.00 33.34 H new ATOM 0 HB2 PHE A 96 14.358 -6.399 7.525 1.00 72.41 H new ATOM 0 HB3 PHE A 96 14.594 -6.090 9.234 1.00 72.41 H new ATOM 0 HD1 PHE A 96 15.938 -8.707 6.838 1.00 1.01 H new ATOM 0 HD2 PHE A 96 16.847 -5.692 9.724 1.00 71.02 H new ATOM 0 HE1 PHE A 96 18.331 -9.197 6.606 1.00 52.40 H new ATOM 0 HE2 PHE A 96 19.237 -6.197 9.491 1.00 11.33 H new ATOM 0 HZ PHE A 96 19.985 -7.942 7.924 1.00 3.14 H new ATOM 1692 N ASP B 9 -3.396 -8.414 16.216 1.00 24.51 N ATOM 1693 CA ASP B 9 -4.519 -7.474 16.466 1.00 4.22 C ATOM 1694 C ASP B 9 -5.106 -6.982 15.130 1.00 31.33 C ATOM 1695 O ASP B 9 -6.265 -6.559 15.063 1.00 11.11 O ATOM 1696 CB ASP B 9 -4.033 -6.287 17.332 1.00 4.03 C ATOM 1697 CG ASP B 9 -5.168 -5.331 17.761 1.00 13.43 C ATOM 1698 OD1 ASP B 9 -5.898 -5.649 18.727 1.00 23.15 O ATOM 1699 OD2 ASP B 9 -5.337 -4.261 17.144 1.00 51.32 O ATOM 0 HA ASP B 9 -5.307 -7.993 17.011 1.00 4.22 H new ATOM 0 HB2 ASP B 9 -3.540 -6.676 18.223 1.00 4.03 H new ATOM 0 HB3 ASP B 9 -3.285 -5.723 16.774 1.00 4.03 H new ATOM 1704 N ASN B 10 -4.291 -7.056 14.068 1.00 2.24 N ATOM 1705 CA ASN B 10 -4.723 -6.735 12.701 1.00 42.35 C ATOM 1706 C ASN B 10 -5.248 -7.998 11.989 1.00 22.54 C ATOM 1707 O ASN B 10 -5.115 -9.116 12.502 1.00 63.51 O ATOM 1708 CB ASN B 10 -3.569 -6.050 11.902 1.00 54.44 C ATOM 1709 CG ASN B 10 -2.272 -6.862 11.787 1.00 12.04 C ATOM 1710 OD1 ASN B 10 -2.272 -8.083 11.818 1.00 23.05 O ATOM 1711 ND2 ASN B 10 -1.155 -6.181 11.634 1.00 63.31 N ATOM 0 H ASN B 10 -3.314 -7.340 14.133 1.00 2.24 H new ATOM 0 HA ASN B 10 -5.546 -6.023 12.752 1.00 42.35 H new ATOM 0 HB2 ASN B 10 -3.928 -5.828 10.897 1.00 54.44 H new ATOM 0 HB3 ASN B 10 -3.339 -5.096 12.376 1.00 54.44 H new ATOM 0 HD21 ASN B 10 -0.267 -6.673 11.539 1.00 63.31 H new ATOM 0 HD22 ASN B 10 -1.178 -5.162 11.611 1.00 63.31 H new ATOM 1718 N VAL B 11 -5.850 -7.794 10.813 1.00 34.40 N ATOM 1719 CA VAL B 11 -6.391 -8.865 9.954 1.00 42.22 C ATOM 1720 C VAL B 11 -5.787 -8.703 8.558 1.00 45.43 C ATOM 1721 O VAL B 11 -5.555 -7.579 8.107 1.00 4.51 O ATOM 1722 CB VAL B 11 -7.976 -8.862 9.889 1.00 53.43 C ATOM 1723 CG1 VAL B 11 -8.591 -9.277 11.247 1.00 52.52 C ATOM 1724 CG2 VAL B 11 -8.538 -7.490 9.433 1.00 51.25 C ATOM 0 H VAL B 11 -5.980 -6.862 10.419 1.00 34.40 H new ATOM 0 HA VAL B 11 -6.116 -9.828 10.383 1.00 42.22 H new ATOM 0 HB VAL B 11 -8.263 -9.599 9.139 1.00 53.43 H new ATOM 0 HG11 VAL B 11 -9.678 -9.266 11.173 1.00 52.52 H new ATOM 0 HG12 VAL B 11 -8.255 -10.281 11.507 1.00 52.52 H new ATOM 0 HG13 VAL B 11 -8.273 -8.577 12.020 1.00 52.52 H new ATOM 0 HG21 VAL B 11 -9.627 -7.535 9.403 1.00 51.25 H new ATOM 0 HG22 VAL B 11 -8.226 -6.717 10.135 1.00 51.25 H new ATOM 0 HG23 VAL B 11 -8.157 -7.253 8.440 1.00 51.25 H new ATOM 1734 N ILE B 12 -5.518 -9.837 7.902 1.00 51.21 N ATOM 1735 CA ILE B 12 -4.771 -9.894 6.632 1.00 4.32 C ATOM 1736 C ILE B 12 -5.765 -9.965 5.452 1.00 31.51 C ATOM 1737 O ILE B 12 -6.231 -11.044 5.076 1.00 34.40 O ATOM 1738 CB ILE B 12 -3.813 -11.148 6.637 1.00 12.32 C ATOM 1739 CG1 ILE B 12 -2.928 -11.183 7.905 1.00 52.04 C ATOM 1740 CG2 ILE B 12 -2.927 -11.205 5.390 1.00 22.24 C ATOM 1741 CD1 ILE B 12 -1.899 -10.083 8.027 1.00 54.44 C ATOM 0 H ILE B 12 -5.814 -10.753 8.238 1.00 51.21 H new ATOM 0 HA ILE B 12 -4.163 -8.996 6.520 1.00 4.32 H new ATOM 0 HB ILE B 12 -4.462 -12.024 6.635 1.00 12.32 H new ATOM 0 HG12 ILE B 12 -3.578 -11.143 8.779 1.00 52.04 H new ATOM 0 HG13 ILE B 12 -2.411 -12.142 7.936 1.00 52.04 H new ATOM 0 HG21 ILE B 12 -2.286 -12.085 5.439 1.00 22.24 H new ATOM 0 HG22 ILE B 12 -3.554 -11.262 4.500 1.00 22.24 H new ATOM 0 HG23 ILE B 12 -2.309 -10.308 5.341 1.00 22.24 H new ATOM 0 HD11 ILE B 12 -1.339 -10.210 8.953 1.00 54.44 H new ATOM 0 HD12 ILE B 12 -1.215 -10.129 7.180 1.00 54.44 H new ATOM 0 HD13 ILE B 12 -2.400 -9.115 8.036 1.00 54.44 H new ATOM 1753 N LEU B 13 -6.125 -8.801 4.900 1.00 1.13 N ATOM 1754 CA LEU B 13 -7.152 -8.706 3.840 1.00 71.42 C ATOM 1755 C LEU B 13 -6.498 -8.518 2.470 1.00 32.05 C ATOM 1756 O LEU B 13 -6.048 -7.417 2.153 1.00 2.10 O ATOM 1757 CB LEU B 13 -8.110 -7.526 4.140 1.00 4.52 C ATOM 1758 CG LEU B 13 -8.758 -7.532 5.554 1.00 32.24 C ATOM 1759 CD1 LEU B 13 -9.633 -6.290 5.751 1.00 34.22 C ATOM 1760 CD2 LEU B 13 -9.557 -8.832 5.812 1.00 24.31 C ATOM 0 H LEU B 13 -5.721 -7.903 5.167 1.00 1.13 H new ATOM 0 HA LEU B 13 -7.722 -9.635 3.823 1.00 71.42 H new ATOM 0 HB2 LEU B 13 -7.560 -6.593 4.016 1.00 4.52 H new ATOM 0 HB3 LEU B 13 -8.906 -7.528 3.395 1.00 4.52 H new ATOM 0 HG LEU B 13 -7.954 -7.501 6.289 1.00 32.24 H new ATOM 0 HD11 LEU B 13 -10.078 -6.312 6.746 1.00 34.22 H new ATOM 0 HD12 LEU B 13 -9.021 -5.394 5.647 1.00 34.22 H new ATOM 0 HD13 LEU B 13 -10.423 -6.279 5.001 1.00 34.22 H new ATOM 0 HD21 LEU B 13 -9.994 -8.798 6.810 1.00 24.31 H new ATOM 0 HD22 LEU B 13 -10.351 -8.924 5.071 1.00 24.31 H new ATOM 0 HD23 LEU B 13 -8.889 -9.690 5.737 1.00 24.31 H new ATOM 1772 N GLU B 14 -6.441 -9.591 1.659 1.00 74.54 N ATOM 1773 CA GLU B 14 -5.908 -9.502 0.288 1.00 21.20 C ATOM 1774 C GLU B 14 -7.023 -9.139 -0.690 1.00 22.35 C ATOM 1775 O GLU B 14 -8.015 -9.863 -0.848 1.00 14.22 O ATOM 1776 CB GLU B 14 -5.192 -10.797 -0.167 1.00 64.14 C ATOM 1777 CG GLU B 14 -5.986 -12.086 0.039 1.00 52.14 C ATOM 1778 CD GLU B 14 -5.220 -13.340 -0.384 1.00 24.35 C ATOM 1779 OE1 GLU B 14 -5.255 -13.685 -1.585 1.00 60.23 O ATOM 1780 OE2 GLU B 14 -4.595 -13.999 0.486 1.00 13.11 O ATOM 0 H GLU B 14 -6.755 -10.523 1.928 1.00 74.54 H new ATOM 0 HA GLU B 14 -5.155 -8.714 0.293 1.00 21.20 H new ATOM 0 HB2 GLU B 14 -4.947 -10.705 -1.225 1.00 64.14 H new ATOM 0 HB3 GLU B 14 -4.248 -10.880 0.372 1.00 64.14 H new ATOM 0 HG2 GLU B 14 -6.259 -12.173 1.091 1.00 52.14 H new ATOM 0 HG3 GLU B 14 -6.915 -12.027 -0.528 1.00 52.14 H new ATOM 1787 N LEU B 15 -6.869 -7.975 -1.301 1.00 61.03 N ATOM 1788 CA LEU B 15 -7.703 -7.533 -2.402 1.00 13.10 C ATOM 1789 C LEU B 15 -6.974 -7.871 -3.699 1.00 65.24 C ATOM 1790 O LEU B 15 -5.910 -7.320 -3.983 1.00 40.43 O ATOM 1791 CB LEU B 15 -8.007 -6.010 -2.289 1.00 44.34 C ATOM 1792 CG LEU B 15 -9.124 -5.605 -1.268 1.00 64.23 C ATOM 1793 CD1 LEU B 15 -10.486 -6.183 -1.679 1.00 31.14 C ATOM 1794 CD2 LEU B 15 -8.770 -5.981 0.192 1.00 31.41 C ATOM 0 H LEU B 15 -6.149 -7.302 -1.040 1.00 61.03 H new ATOM 0 HA LEU B 15 -8.667 -8.041 -2.381 1.00 13.10 H new ATOM 0 HB2 LEU B 15 -7.087 -5.496 -2.013 1.00 44.34 H new ATOM 0 HB3 LEU B 15 -8.293 -5.643 -3.275 1.00 44.34 H new ATOM 0 HG LEU B 15 -9.192 -4.517 -1.297 1.00 64.23 H new ATOM 0 HD11 LEU B 15 -11.242 -5.886 -0.952 1.00 31.14 H new ATOM 0 HD12 LEU B 15 -10.760 -5.804 -2.663 1.00 31.14 H new ATOM 0 HD13 LEU B 15 -10.424 -7.271 -1.714 1.00 31.14 H new ATOM 0 HD21 LEU B 15 -9.581 -5.676 0.853 1.00 31.41 H new ATOM 0 HD22 LEU B 15 -8.628 -7.059 0.266 1.00 31.41 H new ATOM 0 HD23 LEU B 15 -7.852 -5.473 0.486 1.00 31.41 H new ATOM 1806 N THR B 16 -7.544 -8.804 -4.459 1.00 3.23 N ATOM 1807 CA THR B 16 -7.057 -9.168 -5.782 1.00 15.52 C ATOM 1808 C THR B 16 -7.676 -8.190 -6.773 1.00 71.24 C ATOM 1809 O THR B 16 -8.874 -8.234 -7.010 1.00 45.24 O ATOM 1810 CB THR B 16 -7.456 -10.626 -6.157 1.00 30.12 C ATOM 1811 OG1 THR B 16 -6.865 -11.548 -5.221 1.00 30.13 O ATOM 1812 CG2 THR B 16 -7.035 -10.978 -7.602 1.00 52.41 C ATOM 0 H THR B 16 -8.366 -9.333 -4.167 1.00 3.23 H new ATOM 0 HA THR B 16 -5.968 -9.120 -5.801 1.00 15.52 H new ATOM 0 HB THR B 16 -8.542 -10.705 -6.106 1.00 30.12 H new ATOM 0 HG1 THR B 16 -7.119 -12.464 -5.459 1.00 30.13 H new ATOM 0 HG21 THR B 16 -7.330 -12.003 -7.827 1.00 52.41 H new ATOM 0 HG22 THR B 16 -7.524 -10.298 -8.299 1.00 52.41 H new ATOM 0 HG23 THR B 16 -5.954 -10.882 -7.700 1.00 52.41 H new ATOM 1820 N VAL B 17 -6.858 -7.270 -7.287 1.00 71.40 N ATOM 1821 CA VAL B 17 -7.319 -6.162 -8.125 1.00 42.41 C ATOM 1822 C VAL B 17 -6.518 -6.119 -9.423 1.00 2.44 C ATOM 1823 O VAL B 17 -5.354 -6.500 -9.449 1.00 24.12 O ATOM 1824 CB VAL B 17 -7.180 -4.781 -7.373 1.00 5.43 C ATOM 1825 CG1 VAL B 17 -7.733 -4.849 -5.929 1.00 75.33 C ATOM 1826 CG2 VAL B 17 -5.721 -4.242 -7.385 1.00 52.25 C ATOM 0 H VAL B 17 -5.850 -7.273 -7.132 1.00 71.40 H new ATOM 0 HA VAL B 17 -8.373 -6.328 -8.350 1.00 42.41 H new ATOM 0 HB VAL B 17 -7.791 -4.071 -7.930 1.00 5.43 H new ATOM 0 HG11 VAL B 17 -7.617 -3.877 -5.449 1.00 75.33 H new ATOM 0 HG12 VAL B 17 -8.789 -5.117 -5.956 1.00 75.33 H new ATOM 0 HG13 VAL B 17 -7.183 -5.601 -5.364 1.00 75.33 H new ATOM 0 HG21 VAL B 17 -5.680 -3.290 -6.855 1.00 52.25 H new ATOM 0 HG22 VAL B 17 -5.064 -4.960 -6.894 1.00 52.25 H new ATOM 0 HG23 VAL B 17 -5.395 -4.098 -8.415 1.00 52.25 H new ATOM 1836 N ARG B 18 -7.138 -5.648 -10.498 1.00 34.12 N ATOM 1837 CA ARG B 18 -6.424 -5.304 -11.739 1.00 64.12 C ATOM 1838 C ARG B 18 -6.251 -3.778 -11.776 1.00 12.43 C ATOM 1839 O ARG B 18 -7.100 -3.053 -11.239 1.00 54.12 O ATOM 1840 CB ARG B 18 -7.172 -5.866 -12.976 1.00 0.33 C ATOM 1841 CG ARG B 18 -8.658 -5.477 -13.098 1.00 3.53 C ATOM 1842 CD ARG B 18 -9.366 -6.249 -14.226 1.00 60.00 C ATOM 1843 NE ARG B 18 -8.686 -6.097 -15.529 1.00 11.55 N ATOM 1844 CZ ARG B 18 -8.797 -6.945 -16.566 1.00 74.20 C ATOM 1845 NH1 ARG B 18 -9.569 -8.030 -16.488 1.00 53.24 N ATOM 1846 NH2 ARG B 18 -8.130 -6.705 -17.687 1.00 40.12 N ATOM 0 H ARG B 18 -8.145 -5.491 -10.543 1.00 34.12 H new ATOM 0 HA ARG B 18 -5.436 -5.763 -11.763 1.00 64.12 H new ATOM 0 HB2 ARG B 18 -6.653 -5.530 -13.874 1.00 0.33 H new ATOM 0 HB3 ARG B 18 -7.102 -6.954 -12.956 1.00 0.33 H new ATOM 0 HG2 ARG B 18 -9.163 -5.673 -12.152 1.00 3.53 H new ATOM 0 HG3 ARG B 18 -8.738 -4.406 -13.286 1.00 3.53 H new ATOM 0 HD2 ARG B 18 -9.412 -7.306 -13.965 1.00 60.00 H new ATOM 0 HD3 ARG B 18 -10.394 -5.897 -14.313 1.00 60.00 H new ATOM 0 HE ARG B 18 -8.084 -5.283 -15.651 1.00 11.55 H new ATOM 0 HH11 ARG B 18 -10.087 -8.227 -15.632 1.00 53.24 H new ATOM 0 HH12 ARG B 18 -9.641 -8.663 -17.285 1.00 53.24 H new ATOM 0 HH21 ARG B 18 -7.535 -5.879 -17.760 1.00 40.12 H new ATOM 0 HH22 ARG B 18 -8.212 -7.346 -18.476 1.00 40.12 H new ATOM 1860 N ASN B 19 -5.135 -3.307 -12.377 1.00 53.24 N ATOM 1861 CA ASN B 19 -4.681 -1.898 -12.290 1.00 31.12 C ATOM 1862 C ASN B 19 -5.596 -0.937 -13.087 1.00 64.15 C ATOM 1863 O ASN B 19 -5.363 -0.631 -14.264 1.00 15.24 O ATOM 1864 CB ASN B 19 -3.187 -1.759 -12.725 1.00 20.24 C ATOM 1865 CG ASN B 19 -2.193 -2.431 -11.755 1.00 10.23 C ATOM 1866 OD1 ASN B 19 -2.495 -3.456 -11.139 1.00 44.52 O ATOM 1867 ND2 ASN B 19 -1.004 -1.852 -11.607 1.00 14.23 N ATOM 0 H ASN B 19 -4.520 -3.896 -12.939 1.00 53.24 H new ATOM 0 HA ASN B 19 -4.754 -1.603 -11.243 1.00 31.12 H new ATOM 0 HB2 ASN B 19 -3.064 -2.195 -13.716 1.00 20.24 H new ATOM 0 HB3 ASN B 19 -2.939 -0.701 -12.809 1.00 20.24 H new ATOM 0 HD21 ASN B 19 -0.316 -2.256 -10.971 1.00 14.23 H new ATOM 0 HD22 ASN B 19 -0.781 -1.005 -12.129 1.00 14.23 H new ATOM 1874 N HIS B 20 -6.685 -0.548 -12.412 1.00 32.02 N ATOM 1875 CA HIS B 20 -7.560 0.581 -12.782 1.00 23.22 C ATOM 1876 C HIS B 20 -6.922 1.909 -12.289 1.00 43.15 C ATOM 1877 O HIS B 20 -6.021 1.871 -11.434 1.00 32.52 O ATOM 1878 CB HIS B 20 -8.970 0.382 -12.139 1.00 42.12 C ATOM 1879 CG HIS B 20 -9.819 -0.678 -12.788 1.00 71.43 C ATOM 1880 ND1 HIS B 20 -11.095 -0.445 -13.250 1.00 53.30 N ATOM 1881 CD2 HIS B 20 -9.593 -1.993 -12.985 1.00 55.22 C ATOM 1882 CE1 HIS B 20 -11.605 -1.566 -13.706 1.00 34.02 C ATOM 1883 NE2 HIS B 20 -10.717 -2.524 -13.552 1.00 51.45 N ATOM 0 H HIS B 20 -6.995 -1.024 -11.565 1.00 32.02 H new ATOM 0 HA HIS B 20 -7.672 0.623 -13.865 1.00 23.22 H new ATOM 0 HB2 HIS B 20 -8.841 0.129 -11.087 1.00 42.12 H new ATOM 0 HB3 HIS B 20 -9.507 1.330 -12.176 1.00 42.12 H new ATOM 0 HD2 HIS B 20 -8.688 -2.529 -12.739 1.00 55.22 H new ATOM 0 HE1 HIS B 20 -12.589 -1.682 -14.136 1.00 34.02 H new ATOM 0 HE2 HIS B 20 -10.846 -3.502 -13.813 1.00 51.45 H new ATOM 1892 N PRO B 21 -7.349 3.101 -12.834 1.00 64.11 N ATOM 1893 CA PRO B 21 -6.862 4.419 -12.346 1.00 62.23 C ATOM 1894 C PRO B 21 -7.141 4.642 -10.832 1.00 53.10 C ATOM 1895 O PRO B 21 -8.268 4.948 -10.433 1.00 72.30 O ATOM 1896 CB PRO B 21 -7.632 5.444 -13.230 1.00 21.31 C ATOM 1897 CG PRO B 21 -8.011 4.676 -14.466 1.00 43.24 C ATOM 1898 CD PRO B 21 -8.282 3.262 -13.992 1.00 51.41 C ATOM 0 HA PRO B 21 -5.779 4.510 -12.430 1.00 62.23 H new ATOM 0 HB2 PRO B 21 -8.514 5.826 -12.716 1.00 21.31 H new ATOM 0 HB3 PRO B 21 -7.008 6.304 -13.474 1.00 21.31 H new ATOM 0 HG2 PRO B 21 -8.892 5.107 -14.942 1.00 43.24 H new ATOM 0 HG3 PRO B 21 -7.208 4.697 -15.203 1.00 43.24 H new ATOM 0 HD2 PRO B 21 -9.322 3.131 -13.692 1.00 51.41 H new ATOM 0 HD3 PRO B 21 -8.081 2.530 -14.775 1.00 51.41 H new ATOM 1906 N GLY B 22 -6.097 4.437 -10.011 1.00 12.24 N ATOM 1907 CA GLY B 22 -6.147 4.687 -8.568 1.00 40.42 C ATOM 1908 C GLY B 22 -6.925 3.635 -7.781 1.00 22.32 C ATOM 1909 O GLY B 22 -7.842 3.976 -7.028 1.00 43.23 O ATOM 0 H GLY B 22 -5.193 4.092 -10.335 1.00 12.24 H new ATOM 0 HA2 GLY B 22 -5.129 4.734 -8.183 1.00 40.42 H new ATOM 0 HA3 GLY B 22 -6.599 5.663 -8.394 1.00 40.42 H new ATOM 1913 N VAL B 23 -6.560 2.348 -7.944 1.00 72.15 N ATOM 1914 CA VAL B 23 -7.186 1.249 -7.163 1.00 35.44 C ATOM 1915 C VAL B 23 -6.730 1.309 -5.702 1.00 62.20 C ATOM 1916 O VAL B 23 -7.518 1.139 -4.769 1.00 71.03 O ATOM 1917 CB VAL B 23 -6.820 -0.174 -7.691 1.00 63.41 C ATOM 1918 CG1 VAL B 23 -7.650 -1.239 -6.954 1.00 40.14 C ATOM 1919 CG2 VAL B 23 -7.008 -0.287 -9.204 1.00 1.34 C ATOM 0 H VAL B 23 -5.843 2.040 -8.601 1.00 72.15 H new ATOM 0 HA VAL B 23 -8.261 1.399 -7.265 1.00 35.44 H new ATOM 0 HB VAL B 23 -5.763 -0.345 -7.488 1.00 63.41 H new ATOM 0 HG11 VAL B 23 -7.388 -2.228 -7.329 1.00 40.14 H new ATOM 0 HG12 VAL B 23 -7.440 -1.189 -5.886 1.00 40.14 H new ATOM 0 HG13 VAL B 23 -8.711 -1.056 -7.125 1.00 40.14 H new ATOM 0 HG21 VAL B 23 -6.742 -1.293 -9.530 1.00 1.34 H new ATOM 0 HG22 VAL B 23 -8.049 -0.087 -9.457 1.00 1.34 H new ATOM 0 HG23 VAL B 23 -6.367 0.438 -9.705 1.00 1.34 H new ATOM 1929 N MET B 24 -5.421 1.506 -5.545 1.00 52.51 N ATOM 1930 CA MET B 24 -4.770 1.654 -4.243 1.00 34.53 C ATOM 1931 C MET B 24 -5.382 2.835 -3.451 1.00 3.33 C ATOM 1932 O MET B 24 -5.447 2.789 -2.230 1.00 73.44 O ATOM 1933 CB MET B 24 -3.225 1.785 -4.422 1.00 44.23 C ATOM 1934 CG MET B 24 -2.757 2.873 -5.420 1.00 51.22 C ATOM 1935 SD MET B 24 -3.141 2.504 -7.153 1.00 32.03 S ATOM 1936 CE MET B 24 -2.206 0.997 -7.431 1.00 13.32 C ATOM 0 H MET B 24 -4.773 1.568 -6.330 1.00 52.51 H new ATOM 0 HA MET B 24 -4.950 0.757 -3.650 1.00 34.53 H new ATOM 0 HB2 MET B 24 -2.781 1.995 -3.449 1.00 44.23 H new ATOM 0 HB3 MET B 24 -2.832 0.823 -4.751 1.00 44.23 H new ATOM 0 HG2 MET B 24 -3.221 3.822 -5.150 1.00 51.22 H new ATOM 0 HG3 MET B 24 -1.680 3.005 -5.318 1.00 51.22 H new ATOM 0 HE1 MET B 24 -2.237 0.740 -8.490 1.00 13.32 H new ATOM 0 HE2 MET B 24 -1.171 1.149 -7.125 1.00 13.32 H new ATOM 0 HE3 MET B 24 -2.641 0.186 -6.848 1.00 13.32 H new ATOM 1946 N THR B 25 -5.880 3.858 -4.170 1.00 34.51 N ATOM 1947 CA THR B 25 -6.592 4.997 -3.565 1.00 34.44 C ATOM 1948 C THR B 25 -7.947 4.546 -2.944 1.00 64.04 C ATOM 1949 O THR B 25 -8.395 5.107 -1.937 1.00 4.43 O ATOM 1950 CB THR B 25 -6.817 6.119 -4.635 1.00 54.34 C ATOM 1951 OG1 THR B 25 -5.611 6.283 -5.411 1.00 21.31 O ATOM 1952 CG2 THR B 25 -7.188 7.470 -3.997 1.00 40.21 C ATOM 0 H THR B 25 -5.800 3.917 -5.185 1.00 34.51 H new ATOM 0 HA THR B 25 -5.977 5.399 -2.760 1.00 34.44 H new ATOM 0 HB THR B 25 -7.650 5.809 -5.266 1.00 54.34 H new ATOM 0 HG1 THR B 25 -5.747 6.983 -6.083 1.00 21.31 H new ATOM 0 HG21 THR B 25 -7.333 8.214 -4.780 1.00 40.21 H new ATOM 0 HG22 THR B 25 -8.109 7.361 -3.424 1.00 40.21 H new ATOM 0 HG23 THR B 25 -6.385 7.792 -3.335 1.00 40.21 H new ATOM 1960 N HIS B 26 -8.568 3.502 -3.550 1.00 55.01 N ATOM 1961 CA HIS B 26 -9.852 2.929 -3.082 1.00 32.45 C ATOM 1962 C HIS B 26 -9.666 2.180 -1.755 1.00 65.22 C ATOM 1963 O HIS B 26 -10.399 2.446 -0.800 1.00 4.23 O ATOM 1964 CB HIS B 26 -10.481 1.967 -4.135 1.00 12.31 C ATOM 1965 CG HIS B 26 -10.815 2.592 -5.461 1.00 3.22 C ATOM 1966 ND1 HIS B 26 -11.278 1.860 -6.525 1.00 20.34 N ATOM 1967 CD2 HIS B 26 -10.754 3.872 -5.895 1.00 42.14 C ATOM 1968 CE1 HIS B 26 -11.483 2.655 -7.554 1.00 61.34 C ATOM 1969 NE2 HIS B 26 -11.176 3.880 -7.196 1.00 41.44 N ATOM 0 H HIS B 26 -8.192 3.036 -4.375 1.00 55.01 H new ATOM 0 HA HIS B 26 -10.533 3.767 -2.934 1.00 32.45 H new ATOM 0 HB2 HIS B 26 -9.791 1.141 -4.305 1.00 12.31 H new ATOM 0 HB3 HIS B 26 -11.391 1.540 -3.714 1.00 12.31 H new ATOM 0 HD2 HIS B 26 -10.432 4.728 -5.321 1.00 42.14 H new ATOM 0 HE1 HIS B 26 -11.842 2.351 -8.526 1.00 61.34 H new ATOM 0 HE2 HIS B 26 -11.242 4.705 -7.792 1.00 41.44 H new ATOM 1978 N VAL B 27 -8.673 1.252 -1.699 1.00 33.50 N ATOM 1979 CA VAL B 27 -8.413 0.441 -0.484 1.00 14.14 C ATOM 1980 C VAL B 27 -8.088 1.365 0.709 1.00 63.02 C ATOM 1981 O VAL B 27 -8.599 1.179 1.813 1.00 22.42 O ATOM 1982 CB VAL B 27 -7.268 -0.646 -0.693 1.00 63.13 C ATOM 1983 CG1 VAL B 27 -7.553 -1.528 -1.933 1.00 25.05 C ATOM 1984 CG2 VAL B 27 -5.850 -0.030 -0.783 1.00 64.23 C ATOM 0 H VAL B 27 -8.045 1.050 -2.477 1.00 33.50 H new ATOM 0 HA VAL B 27 -9.324 -0.118 -0.270 1.00 14.14 H new ATOM 0 HB VAL B 27 -7.283 -1.272 0.199 1.00 63.13 H new ATOM 0 HG11 VAL B 27 -6.754 -2.260 -2.050 1.00 25.05 H new ATOM 0 HG12 VAL B 27 -8.503 -2.045 -1.801 1.00 25.05 H new ATOM 0 HG13 VAL B 27 -7.602 -0.900 -2.823 1.00 25.05 H new ATOM 0 HG21 VAL B 27 -5.117 -0.824 -0.925 1.00 64.23 H new ATOM 0 HG22 VAL B 27 -5.806 0.660 -1.626 1.00 64.23 H new ATOM 0 HG23 VAL B 27 -5.628 0.508 0.139 1.00 64.23 H new ATOM 1994 N CYS B 28 -7.297 2.413 0.421 1.00 41.13 N ATOM 1995 CA CYS B 28 -6.890 3.420 1.393 1.00 52.40 C ATOM 1996 C CYS B 28 -8.086 4.262 1.865 1.00 63.24 C ATOM 1997 O CYS B 28 -8.166 4.624 3.041 1.00 24.14 O ATOM 1998 CB CYS B 28 -5.802 4.291 0.751 1.00 32.33 C ATOM 1999 SG CYS B 28 -4.301 3.364 0.343 1.00 33.23 S ATOM 0 H CYS B 28 -6.921 2.579 -0.512 1.00 41.13 H new ATOM 0 HA CYS B 28 -6.491 2.934 2.284 1.00 52.40 H new ATOM 0 HB2 CYS B 28 -6.198 4.747 -0.156 1.00 32.33 H new ATOM 0 HB3 CYS B 28 -5.547 5.104 1.431 1.00 32.33 H new ATOM 0 HG CYS B 28 -4.477 2.722 -0.774 1.00 33.23 H new ATOM 2005 N GLY B 29 -9.013 4.543 0.927 1.00 50.01 N ATOM 2006 CA GLY B 29 -10.225 5.297 1.223 1.00 22.32 C ATOM 2007 C GLY B 29 -11.152 4.564 2.189 1.00 74.22 C ATOM 2008 O GLY B 29 -11.684 5.178 3.116 1.00 62.52 O ATOM 0 H GLY B 29 -8.934 4.251 -0.047 1.00 50.01 H new ATOM 0 HA2 GLY B 29 -9.953 6.263 1.649 1.00 22.32 H new ATOM 0 HA3 GLY B 29 -10.759 5.498 0.294 1.00 22.32 H new ATOM 2012 N LEU B 30 -11.301 3.236 1.987 1.00 73.31 N ATOM 2013 CA LEU B 30 -12.218 2.385 2.775 1.00 53.54 C ATOM 2014 C LEU B 30 -11.812 2.314 4.258 1.00 14.15 C ATOM 2015 O LEU B 30 -12.658 2.452 5.145 1.00 25.02 O ATOM 2016 CB LEU B 30 -12.320 0.946 2.156 1.00 31.23 C ATOM 2017 CG LEU B 30 -13.512 0.709 1.167 1.00 51.25 C ATOM 2018 CD1 LEU B 30 -14.873 0.957 1.863 1.00 42.13 C ATOM 2019 CD2 LEU B 30 -13.381 1.555 -0.123 1.00 53.10 C ATOM 0 H LEU B 30 -10.787 2.723 1.271 1.00 73.31 H new ATOM 0 HA LEU B 30 -13.203 2.851 2.731 1.00 53.54 H new ATOM 0 HB2 LEU B 30 -11.389 0.731 1.631 1.00 31.23 H new ATOM 0 HB3 LEU B 30 -12.400 0.226 2.970 1.00 31.23 H new ATOM 0 HG LEU B 30 -13.471 -0.338 0.865 1.00 51.25 H new ATOM 0 HD11 LEU B 30 -15.682 0.785 1.153 1.00 42.13 H new ATOM 0 HD12 LEU B 30 -14.980 0.275 2.707 1.00 42.13 H new ATOM 0 HD13 LEU B 30 -14.917 1.986 2.220 1.00 42.13 H new ATOM 0 HD21 LEU B 30 -14.230 1.356 -0.776 1.00 53.10 H new ATOM 0 HD22 LEU B 30 -13.363 2.614 0.136 1.00 53.10 H new ATOM 0 HD23 LEU B 30 -12.457 1.292 -0.638 1.00 53.10 H new ATOM 2031 N PHE B 31 -10.519 2.093 4.511 1.00 31.43 N ATOM 2032 CA PHE B 31 -9.999 1.912 5.882 1.00 54.43 C ATOM 2033 C PHE B 31 -9.798 3.263 6.598 1.00 35.31 C ATOM 2034 O PHE B 31 -9.882 3.325 7.830 1.00 52.32 O ATOM 2035 CB PHE B 31 -8.724 1.037 5.868 1.00 65.41 C ATOM 2036 CG PHE B 31 -8.992 -0.360 5.289 1.00 41.23 C ATOM 2037 CD1 PHE B 31 -9.846 -1.252 5.946 1.00 2.11 C ATOM 2038 CD2 PHE B 31 -8.438 -0.765 4.075 1.00 31.43 C ATOM 2039 CE1 PHE B 31 -10.127 -2.495 5.407 1.00 12.11 C ATOM 2040 CE2 PHE B 31 -8.728 -2.005 3.535 1.00 50.24 C ATOM 2041 CZ PHE B 31 -9.568 -2.870 4.201 1.00 3.34 C ATOM 0 H PHE B 31 -9.805 2.034 3.785 1.00 31.43 H new ATOM 0 HA PHE B 31 -10.746 1.376 6.468 1.00 54.43 H new ATOM 0 HB2 PHE B 31 -7.951 1.531 5.279 1.00 65.41 H new ATOM 0 HB3 PHE B 31 -8.339 0.941 6.883 1.00 65.41 H new ATOM 0 HD1 PHE B 31 -10.292 -0.967 6.887 1.00 2.11 H new ATOM 0 HD2 PHE B 31 -7.771 -0.099 3.547 1.00 31.43 H new ATOM 0 HE1 PHE B 31 -10.785 -3.173 5.930 1.00 12.11 H new ATOM 0 HE2 PHE B 31 -8.295 -2.296 2.589 1.00 50.24 H new ATOM 0 HZ PHE B 31 -9.789 -3.840 3.781 1.00 3.34 H new ATOM 2051 N ALA B 32 -9.548 4.339 5.823 1.00 4.32 N ATOM 2052 CA ALA B 32 -9.468 5.714 6.368 1.00 72.04 C ATOM 2053 C ALA B 32 -10.847 6.185 6.886 1.00 53.12 C ATOM 2054 O ALA B 32 -10.951 6.723 7.999 1.00 13.44 O ATOM 2055 CB ALA B 32 -8.933 6.688 5.306 1.00 53.10 C ATOM 0 H ALA B 32 -9.398 4.284 4.816 1.00 4.32 H new ATOM 0 HA ALA B 32 -8.774 5.702 7.209 1.00 72.04 H new ATOM 0 HB1 ALA B 32 -8.882 7.692 5.726 1.00 53.10 H new ATOM 0 HB2 ALA B 32 -7.937 6.374 4.993 1.00 53.10 H new ATOM 0 HB3 ALA B 32 -9.600 6.689 4.444 1.00 53.10 H new ATOM 2061 N ARG B 33 -11.906 5.947 6.075 1.00 74.41 N ATOM 2062 CA ARG B 33 -13.298 6.343 6.418 1.00 14.43 C ATOM 2063 C ARG B 33 -13.931 5.375 7.448 1.00 20.11 C ATOM 2064 O ARG B 33 -15.029 5.633 7.953 1.00 53.14 O ATOM 2065 CB ARG B 33 -14.180 6.411 5.134 1.00 45.25 C ATOM 2066 CG ARG B 33 -14.536 5.037 4.511 1.00 21.51 C ATOM 2067 CD ARG B 33 -15.264 5.155 3.165 1.00 40.10 C ATOM 2068 NE ARG B 33 -16.581 5.820 3.285 1.00 34.34 N ATOM 2069 CZ ARG B 33 -17.159 6.575 2.328 1.00 11.32 C ATOM 2070 NH1 ARG B 33 -16.552 6.781 1.159 1.00 15.22 N ATOM 2071 NH2 ARG B 33 -18.358 7.100 2.539 1.00 34.13 N ATOM 0 H ARG B 33 -11.824 5.480 5.172 1.00 74.41 H new ATOM 0 HA ARG B 33 -13.253 7.333 6.872 1.00 14.43 H new ATOM 0 HB2 ARG B 33 -15.105 6.935 5.374 1.00 45.25 H new ATOM 0 HB3 ARG B 33 -13.660 7.009 4.385 1.00 45.25 H new ATOM 0 HG2 ARG B 33 -13.622 4.460 4.373 1.00 21.51 H new ATOM 0 HG3 ARG B 33 -15.162 4.480 5.208 1.00 21.51 H new ATOM 0 HD2 ARG B 33 -14.641 5.715 2.467 1.00 40.10 H new ATOM 0 HD3 ARG B 33 -15.401 4.160 2.742 1.00 40.10 H new ATOM 0 HE ARG B 33 -17.091 5.698 4.160 1.00 34.34 H new ATOM 0 HH11 ARG B 33 -15.638 6.365 0.979 1.00 15.22 H new ATOM 0 HH12 ARG B 33 -17.001 7.354 0.445 1.00 15.22 H new ATOM 0 HH21 ARG B 33 -18.840 6.932 3.422 1.00 34.13 H new ATOM 0 HH22 ARG B 33 -18.799 7.671 1.818 1.00 34.13 H new ATOM 2085 N ARG B 34 -13.228 4.267 7.740 1.00 22.24 N ATOM 2086 CA ARG B 34 -13.697 3.222 8.658 1.00 13.30 C ATOM 2087 C ARG B 34 -13.661 3.746 10.102 1.00 34.44 C ATOM 2088 O ARG B 34 -14.712 3.852 10.751 1.00 25.25 O ATOM 2089 CB ARG B 34 -12.820 1.944 8.449 1.00 54.23 C ATOM 2090 CG ARG B 34 -13.184 0.690 9.289 1.00 14.04 C ATOM 2091 CD ARG B 34 -12.517 0.663 10.677 1.00 3.24 C ATOM 2092 NE ARG B 34 -11.045 0.607 10.610 1.00 53.43 N ATOM 2093 CZ ARG B 34 -10.238 0.209 11.614 1.00 4.55 C ATOM 2094 NH1 ARG B 34 -10.725 -0.167 12.791 1.00 24.20 N ATOM 2095 NH2 ARG B 34 -8.932 0.194 11.437 1.00 11.03 N ATOM 0 H ARG B 34 -12.310 4.073 7.340 1.00 22.24 H new ATOM 0 HA ARG B 34 -14.732 2.952 8.451 1.00 13.30 H new ATOM 0 HB2 ARG B 34 -12.867 1.670 7.395 1.00 54.23 H new ATOM 0 HB3 ARG B 34 -11.784 2.206 8.664 1.00 54.23 H new ATOM 0 HG2 ARG B 34 -14.266 0.648 9.414 1.00 14.04 H new ATOM 0 HG3 ARG B 34 -12.892 -0.204 8.737 1.00 14.04 H new ATOM 0 HD2 ARG B 34 -12.816 1.551 11.235 1.00 3.24 H new ATOM 0 HD3 ARG B 34 -12.883 -0.201 11.233 1.00 3.24 H new ATOM 0 HE ARG B 34 -10.603 0.892 9.736 1.00 53.43 H new ATOM 0 HH11 ARG B 34 -11.732 -0.159 12.952 1.00 24.20 H new ATOM 0 HH12 ARG B 34 -10.092 -0.464 13.534 1.00 24.20 H new ATOM 0 HH21 ARG B 34 -8.535 0.483 10.543 1.00 11.03 H new ATOM 0 HH22 ARG B 34 -8.318 -0.106 12.194 1.00 11.03 H new ATOM 2109 N ALA B 35 -12.440 4.079 10.572 1.00 30.13 N ATOM 2110 CA ALA B 35 -12.185 4.589 11.937 1.00 14.24 C ATOM 2111 C ALA B 35 -10.680 4.844 12.095 1.00 24.45 C ATOM 2112 O ALA B 35 -10.234 5.982 12.274 1.00 1.42 O ATOM 2113 CB ALA B 35 -12.676 3.598 13.024 1.00 44.24 C ATOM 0 H ALA B 35 -11.594 4.001 10.008 1.00 30.13 H new ATOM 0 HA ALA B 35 -12.742 5.516 12.072 1.00 14.24 H new ATOM 0 HB1 ALA B 35 -12.470 4.010 14.012 1.00 44.24 H new ATOM 0 HB2 ALA B 35 -13.749 3.439 12.914 1.00 44.24 H new ATOM 0 HB3 ALA B 35 -12.155 2.647 12.912 1.00 44.24 H new ATOM 2119 N PHE B 36 -9.912 3.756 11.985 1.00 30.00 N ATOM 2120 CA PHE B 36 -8.451 3.755 12.150 1.00 71.15 C ATOM 2121 C PHE B 36 -7.813 3.325 10.821 1.00 43.03 C ATOM 2122 O PHE B 36 -8.398 2.523 10.080 1.00 72.03 O ATOM 2123 CB PHE B 36 -8.060 2.794 13.314 1.00 64.02 C ATOM 2124 CG PHE B 36 -6.558 2.698 13.616 1.00 61.43 C ATOM 2125 CD1 PHE B 36 -5.902 3.700 14.334 1.00 33.10 C ATOM 2126 CD2 PHE B 36 -5.802 1.600 13.186 1.00 14.12 C ATOM 2127 CE1 PHE B 36 -4.547 3.609 14.608 1.00 11.12 C ATOM 2128 CE2 PHE B 36 -4.449 1.511 13.460 1.00 13.20 C ATOM 2129 CZ PHE B 36 -3.822 2.514 14.171 1.00 20.35 C ATOM 0 H PHE B 36 -10.293 2.833 11.775 1.00 30.00 H new ATOM 0 HA PHE B 36 -8.087 4.750 12.407 1.00 71.15 H new ATOM 0 HB2 PHE B 36 -8.575 3.119 14.218 1.00 64.02 H new ATOM 0 HB3 PHE B 36 -8.430 1.796 13.078 1.00 64.02 H new ATOM 0 HD1 PHE B 36 -6.459 4.558 14.681 1.00 33.10 H new ATOM 0 HD2 PHE B 36 -6.284 0.809 12.631 1.00 14.12 H new ATOM 0 HE1 PHE B 36 -4.056 4.394 15.164 1.00 11.12 H new ATOM 0 HE2 PHE B 36 -3.884 0.657 13.118 1.00 13.20 H new ATOM 0 HZ PHE B 36 -2.766 2.444 14.386 1.00 20.35 H new ATOM 2139 N ASN B 37 -6.614 3.851 10.536 1.00 14.55 N ATOM 2140 CA ASN B 37 -5.888 3.582 9.276 1.00 71.33 C ATOM 2141 C ASN B 37 -5.333 2.148 9.210 1.00 54.21 C ATOM 2142 O ASN B 37 -5.531 1.329 10.116 1.00 75.23 O ATOM 2143 CB ASN B 37 -4.732 4.603 9.088 1.00 1.03 C ATOM 2144 CG ASN B 37 -5.238 6.007 8.800 1.00 70.53 C ATOM 2145 OD1 ASN B 37 -5.574 6.314 7.666 1.00 54.13 O ATOM 2146 ND2 ASN B 37 -5.290 6.864 9.808 1.00 11.13 N ATOM 0 H ASN B 37 -6.115 4.476 11.169 1.00 14.55 H new ATOM 0 HA ASN B 37 -6.610 3.691 8.467 1.00 71.33 H new ATOM 0 HB2 ASN B 37 -4.116 4.619 9.987 1.00 1.03 H new ATOM 0 HB3 ASN B 37 -4.092 4.276 8.269 1.00 1.03 H new ATOM 0 HD21 ASN B 37 -5.619 7.817 9.651 1.00 11.13 H new ATOM 0 HD22 ASN B 37 -5.001 6.572 10.741 1.00 11.13 H new ATOM 2153 N VAL B 38 -4.653 1.857 8.094 1.00 1.10 N ATOM 2154 CA VAL B 38 -3.955 0.590 7.888 1.00 42.41 C ATOM 2155 C VAL B 38 -2.580 0.650 8.584 1.00 44.25 C ATOM 2156 O VAL B 38 -1.890 1.678 8.523 1.00 74.43 O ATOM 2157 CB VAL B 38 -3.759 0.283 6.359 1.00 23.04 C ATOM 2158 CG1 VAL B 38 -3.148 -1.115 6.154 1.00 51.00 C ATOM 2159 CG2 VAL B 38 -5.081 0.428 5.573 1.00 65.12 C ATOM 0 H VAL B 38 -4.574 2.500 7.306 1.00 1.10 H new ATOM 0 HA VAL B 38 -4.560 -0.209 8.316 1.00 42.41 H new ATOM 0 HB VAL B 38 -3.062 1.022 5.964 1.00 23.04 H new ATOM 0 HG11 VAL B 38 -3.022 -1.304 5.088 1.00 51.00 H new ATOM 0 HG12 VAL B 38 -2.178 -1.164 6.648 1.00 51.00 H new ATOM 0 HG13 VAL B 38 -3.811 -1.868 6.580 1.00 51.00 H new ATOM 0 HG21 VAL B 38 -4.904 0.208 4.520 1.00 65.12 H new ATOM 0 HG22 VAL B 38 -5.819 -0.269 5.971 1.00 65.12 H new ATOM 0 HG23 VAL B 38 -5.454 1.447 5.673 1.00 65.12 H new ATOM 2169 N GLU B 39 -2.208 -0.449 9.245 1.00 14.15 N ATOM 2170 CA GLU B 39 -0.918 -0.596 9.931 1.00 33.42 C ATOM 2171 C GLU B 39 0.186 -0.968 8.907 1.00 23.23 C ATOM 2172 O GLU B 39 1.231 -0.309 8.830 1.00 75.25 O ATOM 2173 CB GLU B 39 -1.049 -1.686 11.029 1.00 53.41 C ATOM 2174 CG GLU B 39 0.187 -1.845 11.934 1.00 42.20 C ATOM 2175 CD GLU B 39 0.107 -3.071 12.860 1.00 51.13 C ATOM 2176 OE1 GLU B 39 -0.510 -2.972 13.950 1.00 31.42 O ATOM 2177 OE2 GLU B 39 0.642 -4.141 12.482 1.00 42.10 O ATOM 0 H GLU B 39 -2.802 -1.275 9.321 1.00 14.15 H new ATOM 0 HA GLU B 39 -0.637 0.346 10.401 1.00 33.42 H new ATOM 0 HB2 GLU B 39 -1.911 -1.451 11.653 1.00 53.41 H new ATOM 0 HB3 GLU B 39 -1.255 -2.642 10.549 1.00 53.41 H new ATOM 0 HG2 GLU B 39 1.078 -1.926 11.311 1.00 42.20 H new ATOM 0 HG3 GLU B 39 0.303 -0.947 12.540 1.00 42.20 H new ATOM 2184 N GLY B 40 -0.084 -2.011 8.101 1.00 5.15 N ATOM 2185 CA GLY B 40 0.881 -2.530 7.116 1.00 53.02 C ATOM 2186 C GLY B 40 0.207 -2.891 5.804 1.00 42.52 C ATOM 2187 O GLY B 40 -0.945 -3.268 5.799 1.00 71.32 O ATOM 0 H GLY B 40 -0.971 -2.514 8.114 1.00 5.15 H new ATOM 0 HA2 GLY B 40 1.653 -1.782 6.935 1.00 53.02 H new ATOM 0 HA3 GLY B 40 1.379 -3.410 7.523 1.00 53.02 H new ATOM 2191 N ILE B 41 0.928 -2.768 4.682 1.00 34.34 N ATOM 2192 CA ILE B 41 0.390 -3.034 3.323 1.00 4.55 C ATOM 2193 C ILE B 41 1.404 -3.885 2.547 1.00 72.34 C ATOM 2194 O ILE B 41 2.611 -3.727 2.738 1.00 71.35 O ATOM 2195 CB ILE B 41 0.108 -1.692 2.523 1.00 51.31 C ATOM 2196 CG1 ILE B 41 -0.866 -0.753 3.306 1.00 53.01 C ATOM 2197 CG2 ILE B 41 -0.435 -1.974 1.102 1.00 2.05 C ATOM 2198 CD1 ILE B 41 -1.142 0.589 2.641 1.00 63.33 C ATOM 0 H ILE B 41 1.907 -2.480 4.681 1.00 34.34 H new ATOM 0 HA ILE B 41 -0.558 -3.561 3.429 1.00 4.55 H new ATOM 0 HB ILE B 41 1.064 -1.179 2.419 1.00 51.31 H new ATOM 0 HG12 ILE B 41 -1.813 -1.273 3.446 1.00 53.01 H new ATOM 0 HG13 ILE B 41 -0.452 -0.571 4.298 1.00 53.01 H new ATOM 0 HG21 ILE B 41 -0.615 -1.030 0.587 1.00 2.05 H new ATOM 0 HG22 ILE B 41 0.295 -2.559 0.543 1.00 2.05 H new ATOM 0 HG23 ILE B 41 -1.368 -2.532 1.173 1.00 2.05 H new ATOM 0 HD11 ILE B 41 -1.828 1.168 3.260 1.00 63.33 H new ATOM 0 HD12 ILE B 41 -0.207 1.137 2.526 1.00 63.33 H new ATOM 0 HD13 ILE B 41 -1.589 0.424 1.661 1.00 63.33 H new ATOM 2210 N LEU B 42 0.912 -4.781 1.676 1.00 64.13 N ATOM 2211 CA LEU B 42 1.765 -5.552 0.766 1.00 61.40 C ATOM 2212 C LEU B 42 1.024 -5.810 -0.561 1.00 44.24 C ATOM 2213 O LEU B 42 0.257 -6.758 -0.678 1.00 14.15 O ATOM 2214 CB LEU B 42 2.241 -6.878 1.435 1.00 74.11 C ATOM 2215 CG LEU B 42 3.170 -7.802 0.570 1.00 1.32 C ATOM 2216 CD1 LEU B 42 4.341 -7.016 -0.049 1.00 31.05 C ATOM 2217 CD2 LEU B 42 3.684 -8.995 1.398 1.00 44.30 C ATOM 0 H LEU B 42 -0.083 -4.988 1.585 1.00 64.13 H new ATOM 0 HA LEU B 42 2.660 -4.971 0.543 1.00 61.40 H new ATOM 0 HB2 LEU B 42 2.770 -6.626 2.354 1.00 74.11 H new ATOM 0 HB3 LEU B 42 1.360 -7.452 1.721 1.00 74.11 H new ATOM 0 HG LEU B 42 2.569 -8.190 -0.252 1.00 1.32 H new ATOM 0 HD11 LEU B 42 4.960 -7.691 -0.640 1.00 31.05 H new ATOM 0 HD12 LEU B 42 3.950 -6.226 -0.691 1.00 31.05 H new ATOM 0 HD13 LEU B 42 4.942 -6.574 0.745 1.00 31.05 H new ATOM 0 HD21 LEU B 42 4.325 -9.620 0.776 1.00 44.30 H new ATOM 0 HD22 LEU B 42 4.253 -8.627 2.252 1.00 44.30 H new ATOM 0 HD23 LEU B 42 2.838 -9.583 1.753 1.00 44.30 H new ATOM 2229 N CYS B 43 1.258 -4.935 -1.553 1.00 41.43 N ATOM 2230 CA CYS B 43 0.735 -5.107 -2.916 1.00 64.01 C ATOM 2231 C CYS B 43 1.723 -5.961 -3.711 1.00 61.22 C ATOM 2232 O CYS B 43 2.816 -5.502 -4.060 1.00 74.41 O ATOM 2233 CB CYS B 43 0.532 -3.743 -3.603 1.00 0.25 C ATOM 2234 SG CYS B 43 -0.046 -3.839 -5.317 1.00 63.32 S ATOM 0 H CYS B 43 1.815 -4.089 -1.431 1.00 41.43 H new ATOM 0 HA CYS B 43 -0.235 -5.602 -2.873 1.00 64.01 H new ATOM 0 HB2 CYS B 43 -0.186 -3.163 -3.024 1.00 0.25 H new ATOM 0 HB3 CYS B 43 1.475 -3.197 -3.582 1.00 0.25 H new ATOM 0 HG CYS B 43 0.959 -3.670 -6.124 1.00 63.32 H new ATOM 2240 N LEU B 44 1.341 -7.221 -3.934 1.00 11.40 N ATOM 2241 CA LEU B 44 2.145 -8.199 -4.668 1.00 11.43 C ATOM 2242 C LEU B 44 1.651 -8.230 -6.124 1.00 71.41 C ATOM 2243 O LEU B 44 0.535 -8.699 -6.358 1.00 12.33 O ATOM 2244 CB LEU B 44 1.973 -9.601 -4.018 1.00 61.14 C ATOM 2245 CG LEU B 44 3.094 -10.648 -4.316 1.00 54.34 C ATOM 2246 CD1 LEU B 44 4.376 -10.305 -3.530 1.00 71.42 C ATOM 2247 CD2 LEU B 44 2.618 -12.088 -4.013 1.00 64.11 C ATOM 0 H LEU B 44 0.451 -7.595 -3.604 1.00 11.40 H new ATOM 0 HA LEU B 44 3.200 -7.926 -4.639 1.00 11.43 H new ATOM 0 HB2 LEU B 44 1.906 -9.471 -2.938 1.00 61.14 H new ATOM 0 HB3 LEU B 44 1.021 -10.016 -4.349 1.00 61.14 H new ATOM 0 HG LEU B 44 3.324 -10.602 -5.380 1.00 54.34 H new ATOM 0 HD11 LEU B 44 5.146 -11.044 -3.749 1.00 71.42 H new ATOM 0 HD12 LEU B 44 4.729 -9.316 -3.823 1.00 71.42 H new ATOM 0 HD13 LEU B 44 4.160 -10.312 -2.462 1.00 71.42 H new ATOM 0 HD21 LEU B 44 3.422 -12.791 -4.231 1.00 64.11 H new ATOM 0 HD22 LEU B 44 2.343 -12.167 -2.961 1.00 64.11 H new ATOM 0 HD23 LEU B 44 1.753 -12.323 -4.633 1.00 64.11 H new ATOM 2259 N PRO B 45 2.426 -7.689 -7.115 1.00 43.35 N ATOM 2260 CA PRO B 45 2.015 -7.721 -8.540 1.00 63.15 C ATOM 2261 C PRO B 45 2.207 -9.123 -9.177 1.00 22.45 C ATOM 2262 O PRO B 45 3.315 -9.672 -9.195 1.00 63.20 O ATOM 2263 CB PRO B 45 2.931 -6.653 -9.187 1.00 63.32 C ATOM 2264 CG PRO B 45 4.181 -6.649 -8.343 1.00 62.14 C ATOM 2265 CD PRO B 45 3.733 -6.982 -6.928 1.00 10.42 C ATOM 0 HA PRO B 45 0.954 -7.515 -8.682 1.00 63.15 H new ATOM 0 HB2 PRO B 45 3.156 -6.902 -10.224 1.00 63.32 H new ATOM 0 HB3 PRO B 45 2.454 -5.673 -9.190 1.00 63.32 H new ATOM 0 HG2 PRO B 45 4.900 -7.383 -8.707 1.00 62.14 H new ATOM 0 HG3 PRO B 45 4.672 -5.677 -8.378 1.00 62.14 H new ATOM 0 HD2 PRO B 45 4.459 -7.615 -6.419 1.00 10.42 H new ATOM 0 HD3 PRO B 45 3.616 -6.082 -6.325 1.00 10.42 H new ATOM 2273 N ILE B 46 1.107 -9.701 -9.677 1.00 24.54 N ATOM 2274 CA ILE B 46 1.113 -11.005 -10.367 1.00 12.20 C ATOM 2275 C ILE B 46 1.459 -10.789 -11.857 1.00 41.30 C ATOM 2276 O ILE B 46 0.959 -9.847 -12.486 1.00 13.42 O ATOM 2277 CB ILE B 46 -0.276 -11.751 -10.214 1.00 54.34 C ATOM 2278 CG1 ILE B 46 -0.476 -12.333 -8.767 1.00 35.31 C ATOM 2279 CG2 ILE B 46 -0.462 -12.856 -11.276 1.00 2.12 C ATOM 2280 CD1 ILE B 46 -0.641 -11.307 -7.666 1.00 51.52 C ATOM 0 H ILE B 46 0.181 -9.278 -9.616 1.00 24.54 H new ATOM 0 HA ILE B 46 1.869 -11.641 -9.906 1.00 12.20 H new ATOM 0 HB ILE B 46 -1.046 -10.998 -10.380 1.00 54.34 H new ATOM 0 HG12 ILE B 46 -1.355 -12.978 -8.773 1.00 35.31 H new ATOM 0 HG13 ILE B 46 0.380 -12.963 -8.527 1.00 35.31 H new ATOM 0 HG21 ILE B 46 -1.428 -13.340 -11.132 1.00 2.12 H new ATOM 0 HG22 ILE B 46 -0.422 -12.414 -12.272 1.00 2.12 H new ATOM 0 HG23 ILE B 46 0.333 -13.595 -11.175 1.00 2.12 H new ATOM 0 HD11 ILE B 46 -0.772 -11.816 -6.711 1.00 51.52 H new ATOM 0 HD12 ILE B 46 0.246 -10.675 -7.622 1.00 51.52 H new ATOM 0 HD13 ILE B 46 -1.516 -10.690 -7.871 1.00 51.52 H new ATOM 2292 N GLN B 47 2.308 -11.675 -12.410 1.00 40.41 N ATOM 2293 CA GLN B 47 2.850 -11.527 -13.772 1.00 23.10 C ATOM 2294 C GLN B 47 1.961 -12.195 -14.847 1.00 30.21 C ATOM 2295 O GLN B 47 1.856 -11.669 -15.961 1.00 13.13 O ATOM 2296 CB GLN B 47 4.294 -12.095 -13.840 1.00 50.03 C ATOM 2297 CG GLN B 47 4.403 -13.627 -13.659 1.00 31.13 C ATOM 2298 CD GLN B 47 5.826 -14.161 -13.773 1.00 24.34 C ATOM 2299 OE1 GLN B 47 6.679 -13.579 -14.445 1.00 15.34 O ATOM 2300 NE2 GLN B 47 6.086 -15.297 -13.153 1.00 21.33 N ATOM 0 H GLN B 47 2.636 -12.511 -11.926 1.00 40.41 H new ATOM 0 HA GLN B 47 2.865 -10.460 -13.993 1.00 23.10 H new ATOM 0 HB2 GLN B 47 4.729 -11.826 -14.803 1.00 50.03 H new ATOM 0 HB3 GLN B 47 4.896 -11.610 -13.072 1.00 50.03 H new ATOM 0 HG2 GLN B 47 4.001 -13.898 -12.683 1.00 31.13 H new ATOM 0 HG3 GLN B 47 3.780 -14.117 -14.407 1.00 31.13 H new ATOM 0 HE21 GLN B 47 5.359 -15.756 -12.604 1.00 21.33 H new ATOM 0 HE22 GLN B 47 7.013 -15.716 -13.223 1.00 21.33 H new ATOM 2309 N ASP B 48 1.329 -13.351 -14.519 1.00 45.44 N ATOM 2310 CA ASP B 48 0.642 -14.189 -15.537 1.00 21.22 C ATOM 2311 C ASP B 48 -0.599 -13.486 -16.123 1.00 12.42 C ATOM 2312 O ASP B 48 -0.922 -13.670 -17.299 1.00 34.51 O ATOM 2313 CB ASP B 48 0.277 -15.602 -14.988 1.00 34.22 C ATOM 2314 CG ASP B 48 -0.743 -15.616 -13.829 1.00 62.01 C ATOM 2315 OD1 ASP B 48 -1.968 -15.555 -14.085 1.00 13.31 O ATOM 2316 OD2 ASP B 48 -0.324 -15.697 -12.660 1.00 13.02 O ATOM 0 H ASP B 48 1.281 -13.721 -13.570 1.00 45.44 H new ATOM 0 HA ASP B 48 1.355 -14.329 -16.349 1.00 21.22 H new ATOM 0 HB2 ASP B 48 -0.121 -16.201 -15.808 1.00 34.22 H new ATOM 0 HB3 ASP B 48 1.191 -16.090 -14.651 1.00 34.22 H new ATOM 2321 N SER B 49 -1.271 -12.675 -15.294 1.00 54.32 N ATOM 2322 CA SER B 49 -2.474 -11.917 -15.693 1.00 32.40 C ATOM 2323 C SER B 49 -2.524 -10.582 -14.937 1.00 60.51 C ATOM 2324 O SER B 49 -1.790 -10.394 -13.952 1.00 2.45 O ATOM 2325 CB SER B 49 -3.760 -12.738 -15.407 1.00 51.24 C ATOM 2326 OG SER B 49 -3.755 -13.982 -16.092 1.00 40.23 O ATOM 0 H SER B 49 -0.998 -12.523 -14.323 1.00 54.32 H new ATOM 0 HA SER B 49 -2.421 -11.722 -16.764 1.00 32.40 H new ATOM 0 HB2 SER B 49 -3.848 -12.914 -14.335 1.00 51.24 H new ATOM 0 HB3 SER B 49 -4.634 -12.161 -15.708 1.00 51.24 H new ATOM 0 HG SER B 49 -3.218 -14.630 -15.590 1.00 40.23 H new ATOM 2332 N ASP B 50 -3.405 -9.672 -15.404 1.00 0.34 N ATOM 2333 CA ASP B 50 -3.651 -8.370 -14.756 1.00 42.42 C ATOM 2334 C ASP B 50 -4.342 -8.587 -13.399 1.00 14.34 C ATOM 2335 O ASP B 50 -5.575 -8.684 -13.333 1.00 24.21 O ATOM 2336 CB ASP B 50 -4.520 -7.443 -15.664 1.00 24.43 C ATOM 2337 CG ASP B 50 -3.846 -7.100 -16.998 1.00 30.40 C ATOM 2338 OD1 ASP B 50 -3.783 -7.974 -17.884 1.00 62.21 O ATOM 2339 OD2 ASP B 50 -3.362 -5.958 -17.173 1.00 1.53 O ATOM 0 H ASP B 50 -3.966 -9.822 -16.243 1.00 0.34 H new ATOM 0 HA ASP B 50 -2.691 -7.878 -14.598 1.00 42.42 H new ATOM 0 HB2 ASP B 50 -5.475 -7.930 -15.861 1.00 24.43 H new ATOM 0 HB3 ASP B 50 -4.738 -6.520 -15.127 1.00 24.43 H new ATOM 2344 N LYS B 51 -3.527 -8.759 -12.343 1.00 4.22 N ATOM 2345 CA LYS B 51 -4.003 -8.826 -10.956 1.00 64.00 C ATOM 2346 C LYS B 51 -2.837 -8.610 -9.979 1.00 61.44 C ATOM 2347 O LYS B 51 -1.681 -8.875 -10.303 1.00 75.50 O ATOM 2348 CB LYS B 51 -4.763 -10.155 -10.648 1.00 5.35 C ATOM 2349 CG LYS B 51 -3.953 -11.446 -10.877 1.00 3.51 C ATOM 2350 CD LYS B 51 -4.767 -12.715 -10.539 1.00 14.12 C ATOM 2351 CE LYS B 51 -3.991 -14.012 -10.802 1.00 2.22 C ATOM 2352 NZ LYS B 51 -3.596 -14.169 -12.228 1.00 33.13 N ATOM 0 H LYS B 51 -2.515 -8.856 -12.432 1.00 4.22 H new ATOM 0 HA LYS B 51 -4.725 -8.021 -10.821 1.00 64.00 H new ATOM 0 HB2 LYS B 51 -5.094 -10.133 -9.610 1.00 5.35 H new ATOM 0 HB3 LYS B 51 -5.659 -10.193 -11.267 1.00 5.35 H new ATOM 0 HG2 LYS B 51 -3.630 -11.490 -11.917 1.00 3.51 H new ATOM 0 HG3 LYS B 51 -3.052 -11.421 -10.264 1.00 3.51 H new ATOM 0 HD2 LYS B 51 -5.063 -12.681 -9.491 1.00 14.12 H new ATOM 0 HD3 LYS B 51 -5.683 -12.720 -11.129 1.00 14.12 H new ATOM 0 HE2 LYS B 51 -3.097 -14.028 -10.178 1.00 2.22 H new ATOM 0 HE3 LYS B 51 -4.603 -14.863 -10.504 1.00 2.22 H new ATOM 0 HZ1 LYS B 51 -3.061 -15.053 -12.345 1.00 33.13 H new ATOM 0 HZ2 LYS B 51 -4.448 -14.199 -12.823 1.00 33.13 H new ATOM 0 HZ3 LYS B 51 -3.002 -13.365 -12.514 1.00 33.13 H new ATOM 2366 N SER B 52 -3.174 -8.086 -8.799 1.00 62.32 N ATOM 2367 CA SER B 52 -2.244 -7.817 -7.704 1.00 33.32 C ATOM 2368 C SER B 52 -2.977 -8.097 -6.386 1.00 74.13 C ATOM 2369 O SER B 52 -4.119 -7.668 -6.229 1.00 51.42 O ATOM 2370 CB SER B 52 -1.775 -6.342 -7.759 1.00 21.30 C ATOM 2371 OG SER B 52 -1.164 -6.036 -9.002 1.00 2.32 O ATOM 0 H SER B 52 -4.135 -7.829 -8.573 1.00 62.32 H new ATOM 0 HA SER B 52 -1.363 -8.453 -7.785 1.00 33.32 H new ATOM 0 HB2 SER B 52 -2.628 -5.682 -7.599 1.00 21.30 H new ATOM 0 HB3 SER B 52 -1.070 -6.153 -6.950 1.00 21.30 H new ATOM 0 HG SER B 52 -0.881 -5.098 -9.005 1.00 2.32 H new ATOM 2377 N HIS B 53 -2.348 -8.843 -5.462 1.00 2.13 N ATOM 2378 CA HIS B 53 -2.937 -9.130 -4.131 1.00 0.12 C ATOM 2379 C HIS B 53 -2.370 -8.145 -3.101 1.00 75.25 C ATOM 2380 O HIS B 53 -1.203 -8.252 -2.722 1.00 10.03 O ATOM 2381 CB HIS B 53 -2.644 -10.591 -3.686 1.00 33.31 C ATOM 2382 CG HIS B 53 -3.330 -11.665 -4.493 1.00 42.43 C ATOM 2383 ND1 HIS B 53 -3.781 -12.844 -3.941 1.00 22.23 N ATOM 2384 CD2 HIS B 53 -3.624 -11.746 -5.815 1.00 40.31 C ATOM 2385 CE1 HIS B 53 -4.314 -13.592 -4.882 1.00 34.41 C ATOM 2386 NE2 HIS B 53 -4.231 -12.950 -6.025 1.00 15.54 N ATOM 0 H HIS B 53 -1.429 -9.262 -5.607 1.00 2.13 H new ATOM 0 HA HIS B 53 -4.018 -9.012 -4.199 1.00 0.12 H new ATOM 0 HB2 HIS B 53 -1.568 -10.758 -3.732 1.00 33.31 H new ATOM 0 HB3 HIS B 53 -2.939 -10.701 -2.642 1.00 33.31 H new ATOM 0 HD1 HIS B 53 -3.712 -13.097 -2.955 1.00 22.23 H new ATOM 0 HD2 HIS B 53 -3.416 -10.996 -6.563 1.00 40.31 H new ATOM 0 HE1 HIS B 53 -4.748 -14.571 -4.739 1.00 34.41 H new ATOM 2395 N ILE B 54 -3.193 -7.173 -2.677 1.00 25.23 N ATOM 2396 CA ILE B 54 -2.807 -6.160 -1.683 1.00 52.05 C ATOM 2397 C ILE B 54 -3.275 -6.634 -0.301 1.00 31.32 C ATOM 2398 O ILE B 54 -4.476 -6.644 -0.042 1.00 24.52 O ATOM 2399 CB ILE B 54 -3.414 -4.718 -1.972 1.00 22.41 C ATOM 2400 CG1 ILE B 54 -3.069 -4.186 -3.406 1.00 52.31 C ATOM 2401 CG2 ILE B 54 -2.910 -3.703 -0.915 1.00 23.01 C ATOM 2402 CD1 ILE B 54 -3.805 -4.841 -4.547 1.00 24.11 C ATOM 0 H ILE B 54 -4.149 -7.068 -3.016 1.00 25.23 H new ATOM 0 HA ILE B 54 -1.723 -6.056 -1.733 1.00 52.05 H new ATOM 0 HB ILE B 54 -4.498 -4.821 -1.913 1.00 22.41 H new ATOM 0 HG12 ILE B 54 -3.274 -3.116 -3.434 1.00 52.31 H new ATOM 0 HG13 ILE B 54 -1.999 -4.310 -3.571 1.00 52.31 H new ATOM 0 HG21 ILE B 54 -3.332 -2.720 -1.124 1.00 23.01 H new ATOM 0 HG22 ILE B 54 -3.220 -4.028 0.078 1.00 23.01 H new ATOM 0 HG23 ILE B 54 -1.822 -3.646 -0.955 1.00 23.01 H new ATOM 0 HD11 ILE B 54 -3.487 -4.394 -5.489 1.00 24.11 H new ATOM 0 HD12 ILE B 54 -3.583 -5.908 -4.558 1.00 24.11 H new ATOM 0 HD13 ILE B 54 -4.878 -4.695 -4.420 1.00 24.11 H new ATOM 2414 N TRP B 55 -2.334 -7.035 0.570 1.00 22.53 N ATOM 2415 CA TRP B 55 -2.642 -7.451 1.947 1.00 22.32 C ATOM 2416 C TRP B 55 -2.655 -6.221 2.864 1.00 63.15 C ATOM 2417 O TRP B 55 -1.599 -5.660 3.179 1.00 14.42 O ATOM 2418 CB TRP B 55 -1.617 -8.502 2.450 1.00 31.01 C ATOM 2419 CG TRP B 55 -1.775 -9.852 1.793 1.00 42.43 C ATOM 2420 CD1 TRP B 55 -2.669 -10.815 2.135 1.00 33.22 C ATOM 2421 CD2 TRP B 55 -1.035 -10.383 0.697 1.00 73.11 C ATOM 2422 NE1 TRP B 55 -2.533 -11.907 1.330 1.00 62.14 N ATOM 2423 CE2 TRP B 55 -1.539 -11.669 0.435 1.00 2.23 C ATOM 2424 CE3 TRP B 55 0.006 -9.900 -0.082 1.00 73.24 C ATOM 2425 CZ2 TRP B 55 -1.045 -12.471 -0.573 1.00 44.42 C ATOM 2426 CZ3 TRP B 55 0.500 -10.696 -1.083 1.00 3.53 C ATOM 2427 CH2 TRP B 55 -0.022 -11.970 -1.324 1.00 43.42 C ATOM 0 H TRP B 55 -1.341 -7.080 0.340 1.00 22.53 H new ATOM 0 HA TRP B 55 -3.627 -7.917 1.963 1.00 22.32 H new ATOM 0 HB2 TRP B 55 -0.608 -8.132 2.267 1.00 31.01 H new ATOM 0 HB3 TRP B 55 -1.724 -8.616 3.529 1.00 31.01 H new ATOM 0 HD1 TRP B 55 -3.389 -10.728 2.935 1.00 33.22 H new ATOM 0 HE1 TRP B 55 -3.086 -12.762 1.390 1.00 62.14 H new ATOM 0 HE3 TRP B 55 0.419 -8.918 0.096 1.00 73.24 H new ATOM 0 HZ2 TRP B 55 -1.451 -13.454 -0.760 1.00 44.42 H new ATOM 0 HZ3 TRP B 55 1.309 -10.331 -1.698 1.00 3.53 H new ATOM 0 HH2 TRP B 55 0.393 -12.570 -2.121 1.00 43.42 H new ATOM 2438 N LEU B 56 -3.865 -5.777 3.233 1.00 74.45 N ATOM 2439 CA LEU B 56 -4.068 -4.696 4.194 1.00 20.00 C ATOM 2440 C LEU B 56 -4.124 -5.291 5.605 1.00 70.21 C ATOM 2441 O LEU B 56 -5.054 -6.022 5.944 1.00 1.41 O ATOM 2442 CB LEU B 56 -5.377 -3.897 3.914 1.00 74.11 C ATOM 2443 CG LEU B 56 -5.456 -3.086 2.571 1.00 4.11 C ATOM 2444 CD1 LEU B 56 -4.207 -2.209 2.356 1.00 3.05 C ATOM 2445 CD2 LEU B 56 -5.745 -3.993 1.358 1.00 64.35 C ATOM 0 H LEU B 56 -4.734 -6.165 2.867 1.00 74.45 H new ATOM 0 HA LEU B 56 -3.235 -4.000 4.100 1.00 20.00 H new ATOM 0 HB2 LEU B 56 -6.211 -4.599 3.933 1.00 74.11 H new ATOM 0 HB3 LEU B 56 -5.529 -3.200 4.738 1.00 74.11 H new ATOM 0 HG LEU B 56 -6.306 -2.410 2.661 1.00 4.11 H new ATOM 0 HD11 LEU B 56 -4.302 -1.665 1.416 1.00 3.05 H new ATOM 0 HD12 LEU B 56 -4.115 -1.500 3.178 1.00 3.05 H new ATOM 0 HD13 LEU B 56 -3.320 -2.841 2.321 1.00 3.05 H new ATOM 0 HD21 LEU B 56 -5.790 -3.387 0.453 1.00 64.35 H new ATOM 0 HD22 LEU B 56 -4.951 -4.733 1.260 1.00 64.35 H new ATOM 0 HD23 LEU B 56 -6.698 -4.501 1.503 1.00 64.35 H new ATOM 2457 N LEU B 57 -3.101 -4.980 6.392 1.00 15.31 N ATOM 2458 CA LEU B 57 -3.014 -5.301 7.817 1.00 30.21 C ATOM 2459 C LEU B 57 -3.703 -4.176 8.582 1.00 70.02 C ATOM 2460 O LEU B 57 -3.095 -3.140 8.849 1.00 33.13 O ATOM 2461 CB LEU B 57 -1.528 -5.410 8.279 1.00 21.22 C ATOM 2462 CG LEU B 57 -0.751 -6.713 7.925 1.00 54.54 C ATOM 2463 CD1 LEU B 57 -0.756 -7.025 6.414 1.00 14.10 C ATOM 2464 CD2 LEU B 57 0.684 -6.648 8.485 1.00 74.11 C ATOM 0 H LEU B 57 -2.281 -4.481 6.047 1.00 15.31 H new ATOM 0 HA LEU B 57 -3.492 -6.262 8.008 1.00 30.21 H new ATOM 0 HB2 LEU B 57 -0.982 -4.568 7.853 1.00 21.22 H new ATOM 0 HB3 LEU B 57 -1.504 -5.290 9.362 1.00 21.22 H new ATOM 0 HG LEU B 57 -1.276 -7.541 8.401 1.00 54.54 H new ATOM 0 HD11 LEU B 57 -0.199 -7.944 6.230 1.00 14.10 H new ATOM 0 HD12 LEU B 57 -1.783 -7.149 6.071 1.00 14.10 H new ATOM 0 HD13 LEU B 57 -0.289 -6.203 5.871 1.00 14.10 H new ATOM 0 HD21 LEU B 57 1.216 -7.565 8.230 1.00 74.11 H new ATOM 0 HD22 LEU B 57 1.205 -5.794 8.052 1.00 74.11 H new ATOM 0 HD23 LEU B 57 0.647 -6.539 9.569 1.00 74.11 H new ATOM 2476 N VAL B 58 -4.981 -4.366 8.883 1.00 22.55 N ATOM 2477 CA VAL B 58 -5.809 -3.355 9.563 1.00 52.12 C ATOM 2478 C VAL B 58 -6.502 -4.010 10.758 1.00 53.21 C ATOM 2479 O VAL B 58 -6.874 -5.175 10.680 1.00 50.21 O ATOM 2480 CB VAL B 58 -6.865 -2.751 8.558 1.00 31.43 C ATOM 2481 CG1 VAL B 58 -7.908 -3.808 8.116 1.00 73.53 C ATOM 2482 CG2 VAL B 58 -7.542 -1.481 9.125 1.00 71.45 C ATOM 0 H VAL B 58 -5.483 -5.227 8.665 1.00 22.55 H new ATOM 0 HA VAL B 58 -5.182 -2.537 9.917 1.00 52.12 H new ATOM 0 HB VAL B 58 -6.317 -2.448 7.666 1.00 31.43 H new ATOM 0 HG11 VAL B 58 -8.617 -3.353 7.425 1.00 73.53 H new ATOM 0 HG12 VAL B 58 -7.400 -4.636 7.622 1.00 73.53 H new ATOM 0 HG13 VAL B 58 -8.442 -4.180 8.990 1.00 73.53 H new ATOM 0 HG21 VAL B 58 -8.261 -1.098 8.401 1.00 71.45 H new ATOM 0 HG22 VAL B 58 -8.057 -1.727 10.053 1.00 71.45 H new ATOM 0 HG23 VAL B 58 -6.785 -0.722 9.321 1.00 71.45 H new ATOM 2492 N ASN B 59 -6.650 -3.295 11.881 1.00 52.12 N ATOM 2493 CA ASN B 59 -7.254 -3.894 13.087 1.00 34.32 C ATOM 2494 C ASN B 59 -8.777 -4.066 12.919 1.00 22.43 C ATOM 2495 O ASN B 59 -9.462 -3.173 12.403 1.00 45.43 O ATOM 2496 CB ASN B 59 -6.866 -3.126 14.376 1.00 41.33 C ATOM 2497 CG ASN B 59 -7.232 -1.636 14.427 1.00 33.21 C ATOM 2498 OD1 ASN B 59 -8.181 -1.165 13.808 1.00 24.22 O ATOM 2499 ND2 ASN B 59 -6.475 -0.880 15.201 1.00 60.23 N ATOM 0 H ASN B 59 -6.367 -2.320 11.984 1.00 52.12 H new ATOM 0 HA ASN B 59 -6.838 -4.895 13.207 1.00 34.32 H new ATOM 0 HB2 ASN B 59 -7.340 -3.622 15.223 1.00 41.33 H new ATOM 0 HB3 ASN B 59 -5.789 -3.217 14.515 1.00 41.33 H new ATOM 0 HD21 ASN B 59 -6.674 0.116 15.293 1.00 60.23 H new ATOM 0 HD22 ASN B 59 -5.691 -1.292 15.707 1.00 60.23 H new ATOM 2506 N ASP B 60 -9.268 -5.258 13.313 1.00 4.42 N ATOM 2507 CA ASP B 60 -10.672 -5.673 13.144 1.00 74.12 C ATOM 2508 C ASP B 60 -11.631 -4.739 13.911 1.00 22.43 C ATOM 2509 O ASP B 60 -11.350 -4.317 15.042 1.00 23.31 O ATOM 2510 CB ASP B 60 -10.839 -7.150 13.589 1.00 41.33 C ATOM 2511 CG ASP B 60 -12.306 -7.620 13.662 1.00 44.25 C ATOM 2512 OD1 ASP B 60 -12.945 -7.776 12.601 1.00 44.13 O ATOM 2513 OD2 ASP B 60 -12.827 -7.817 14.784 1.00 34.00 O ATOM 0 H ASP B 60 -8.691 -5.968 13.764 1.00 4.42 H new ATOM 0 HA ASP B 60 -10.934 -5.597 12.089 1.00 74.12 H new ATOM 0 HB2 ASP B 60 -10.297 -7.792 12.895 1.00 41.33 H new ATOM 0 HB3 ASP B 60 -10.378 -7.278 14.568 1.00 41.33 H new ATOM 2518 N ASP B 61 -12.757 -4.430 13.262 1.00 43.51 N ATOM 2519 CA ASP B 61 -13.700 -3.395 13.687 1.00 72.33 C ATOM 2520 C ASP B 61 -15.134 -3.846 13.346 1.00 51.33 C ATOM 2521 O ASP B 61 -15.312 -4.727 12.497 1.00 62.51 O ATOM 2522 CB ASP B 61 -13.315 -2.101 12.934 1.00 34.24 C ATOM 2523 CG ASP B 61 -14.071 -0.845 13.374 1.00 1.43 C ATOM 2524 OD1 ASP B 61 -13.622 -0.169 14.317 1.00 45.02 O ATOM 2525 OD2 ASP B 61 -15.076 -0.498 12.744 1.00 1.41 O ATOM 0 H ASP B 61 -13.044 -4.905 12.406 1.00 43.51 H new ATOM 0 HA ASP B 61 -13.660 -3.220 14.762 1.00 72.33 H new ATOM 0 HB2 ASP B 61 -12.247 -1.928 13.064 1.00 34.24 H new ATOM 0 HB3 ASP B 61 -13.486 -2.255 11.868 1.00 34.24 H new ATOM 2530 N GLN B 62 -16.148 -3.228 13.975 1.00 62.32 N ATOM 2531 CA GLN B 62 -17.575 -3.539 13.701 1.00 11.30 C ATOM 2532 C GLN B 62 -17.931 -3.207 12.238 1.00 65.00 C ATOM 2533 O GLN B 62 -18.617 -3.972 11.553 1.00 60.42 O ATOM 2534 CB GLN B 62 -18.490 -2.746 14.666 1.00 32.54 C ATOM 2535 CG GLN B 62 -18.203 -3.008 16.154 1.00 64.22 C ATOM 2536 CD GLN B 62 -19.006 -2.112 17.099 1.00 13.20 C ATOM 2537 OE1 GLN B 62 -20.194 -1.865 16.888 1.00 32.04 O ATOM 2538 NE2 GLN B 62 -18.340 -1.540 18.091 1.00 32.31 N ATOM 0 H GLN B 62 -16.012 -2.505 14.682 1.00 62.32 H new ATOM 0 HA GLN B 62 -17.733 -4.605 13.862 1.00 11.30 H new ATOM 0 HB2 GLN B 62 -18.375 -1.681 14.466 1.00 32.54 H new ATOM 0 HB3 GLN B 62 -19.529 -3.000 14.456 1.00 32.54 H new ATOM 0 HG2 GLN B 62 -18.424 -4.051 16.380 1.00 64.22 H new ATOM 0 HG3 GLN B 62 -17.140 -2.860 16.342 1.00 64.22 H new ATOM 0 HE21 GLN B 62 -17.356 -1.765 18.241 1.00 32.31 H new ATOM 0 HE22 GLN B 62 -18.811 -0.875 18.705 1.00 32.31 H new ATOM 2547 N ARG B 63 -17.421 -2.055 11.775 1.00 22.03 N ATOM 2548 CA ARG B 63 -17.656 -1.529 10.413 1.00 62.45 C ATOM 2549 C ARG B 63 -16.738 -2.223 9.390 1.00 72.25 C ATOM 2550 O ARG B 63 -17.069 -2.246 8.210 1.00 31.35 O ATOM 2551 CB ARG B 63 -17.461 0.023 10.341 1.00 1.51 C ATOM 2552 CG ARG B 63 -18.601 0.885 10.953 1.00 72.41 C ATOM 2553 CD ARG B 63 -18.775 0.709 12.475 1.00 42.30 C ATOM 2554 NE ARG B 63 -17.500 0.912 13.192 1.00 62.03 N ATOM 2555 CZ ARG B 63 -17.363 1.194 14.488 1.00 73.30 C ATOM 2556 NH1 ARG B 63 -18.417 1.340 15.272 1.00 14.43 N ATOM 2557 NH2 ARG B 63 -16.153 1.276 15.011 1.00 62.23 N ATOM 0 H ARG B 63 -16.825 -1.451 12.341 1.00 22.03 H new ATOM 0 HA ARG B 63 -18.695 -1.747 10.164 1.00 62.45 H new ATOM 0 HB2 ARG B 63 -16.530 0.276 10.848 1.00 1.51 H new ATOM 0 HB3 ARG B 63 -17.341 0.306 9.295 1.00 1.51 H new ATOM 0 HG2 ARG B 63 -18.402 1.935 10.740 1.00 72.41 H new ATOM 0 HG3 ARG B 63 -19.539 0.631 10.459 1.00 72.41 H new ATOM 0 HD2 ARG B 63 -19.517 1.418 12.842 1.00 42.30 H new ATOM 0 HD3 ARG B 63 -19.157 -0.290 12.686 1.00 42.30 H new ATOM 0 HE ARG B 63 -16.644 0.829 12.644 1.00 62.03 H new ATOM 0 HH11 ARG B 63 -19.356 1.237 14.888 1.00 14.43 H new ATOM 0 HH12 ARG B 63 -18.291 1.556 16.261 1.00 14.43 H new ATOM 0 HH21 ARG B 63 -15.332 1.124 14.424 1.00 62.23 H new ATOM 0 HH22 ARG B 63 -16.039 1.491 16.001 1.00 62.23 H new ATOM 2571 N LEU B 64 -15.577 -2.741 9.864 1.00 31.25 N ATOM 2572 CA LEU B 64 -14.511 -3.360 9.022 1.00 42.54 C ATOM 2573 C LEU B 64 -15.105 -4.307 7.950 1.00 11.23 C ATOM 2574 O LEU B 64 -14.829 -4.146 6.766 1.00 71.13 O ATOM 2575 CB LEU B 64 -13.497 -4.141 9.935 1.00 54.55 C ATOM 2576 CG LEU B 64 -11.978 -4.139 9.538 1.00 34.15 C ATOM 2577 CD1 LEU B 64 -11.727 -4.804 8.186 1.00 33.21 C ATOM 2578 CD2 LEU B 64 -11.385 -2.715 9.573 1.00 74.22 C ATOM 0 H LEU B 64 -15.347 -2.742 10.858 1.00 31.25 H new ATOM 0 HA LEU B 64 -13.988 -2.559 8.499 1.00 42.54 H new ATOM 0 HB2 LEU B 64 -13.577 -3.734 10.943 1.00 54.55 H new ATOM 0 HB3 LEU B 64 -13.826 -5.179 9.983 1.00 54.55 H new ATOM 0 HG LEU B 64 -11.462 -4.738 10.289 1.00 34.15 H new ATOM 0 HD11 LEU B 64 -10.661 -4.776 7.959 1.00 33.21 H new ATOM 0 HD12 LEU B 64 -12.063 -5.840 8.222 1.00 33.21 H new ATOM 0 HD13 LEU B 64 -12.277 -4.271 7.411 1.00 33.21 H new ATOM 0 HD21 LEU B 64 -10.332 -2.752 9.293 1.00 74.22 H new ATOM 0 HD22 LEU B 64 -11.925 -2.079 8.872 1.00 74.22 H new ATOM 0 HD23 LEU B 64 -11.478 -2.307 10.579 1.00 74.22 H new ATOM 2590 N GLU B 65 -15.961 -5.250 8.397 1.00 4.22 N ATOM 2591 CA GLU B 65 -16.579 -6.273 7.527 1.00 31.44 C ATOM 2592 C GLU B 65 -17.533 -5.655 6.485 1.00 53.10 C ATOM 2593 O GLU B 65 -17.666 -6.171 5.371 1.00 74.11 O ATOM 2594 CB GLU B 65 -17.318 -7.320 8.392 1.00 53.11 C ATOM 2595 CG GLU B 65 -16.403 -8.039 9.404 1.00 54.45 C ATOM 2596 CD GLU B 65 -17.117 -9.176 10.153 1.00 15.30 C ATOM 2597 OE1 GLU B 65 -17.220 -10.292 9.592 1.00 33.02 O ATOM 2598 OE2 GLU B 65 -17.594 -8.958 11.291 1.00 1.14 O ATOM 0 H GLU B 65 -16.244 -5.323 9.374 1.00 4.22 H new ATOM 0 HA GLU B 65 -15.780 -6.763 6.971 1.00 31.44 H new ATOM 0 HB2 GLU B 65 -18.127 -6.828 8.932 1.00 53.11 H new ATOM 0 HB3 GLU B 65 -17.776 -8.062 7.738 1.00 53.11 H new ATOM 0 HG2 GLU B 65 -15.537 -8.444 8.880 1.00 54.45 H new ATOM 0 HG3 GLU B 65 -16.028 -7.314 10.126 1.00 54.45 H new ATOM 2605 N GLN B 66 -18.174 -4.542 6.865 1.00 63.51 N ATOM 2606 CA GLN B 66 -19.084 -3.792 5.979 1.00 3.24 C ATOM 2607 C GLN B 66 -18.276 -3.044 4.892 1.00 73.41 C ATOM 2608 O GLN B 66 -18.735 -2.904 3.754 1.00 34.11 O ATOM 2609 CB GLN B 66 -19.947 -2.797 6.808 1.00 63.23 C ATOM 2610 CG GLN B 66 -20.710 -3.443 7.990 1.00 21.33 C ATOM 2611 CD GLN B 66 -21.693 -4.565 7.596 1.00 53.34 C ATOM 2612 OE1 GLN B 66 -21.896 -5.514 8.353 1.00 65.21 O ATOM 2613 NE2 GLN B 66 -22.338 -4.452 6.440 1.00 71.20 N ATOM 0 H GLN B 66 -18.079 -4.133 7.795 1.00 63.51 H new ATOM 0 HA GLN B 66 -19.754 -4.496 5.485 1.00 3.24 H new ATOM 0 HB2 GLN B 66 -19.300 -2.010 7.196 1.00 63.23 H new ATOM 0 HB3 GLN B 66 -20.667 -2.319 6.144 1.00 63.23 H new ATOM 0 HG2 GLN B 66 -19.983 -3.848 8.694 1.00 21.33 H new ATOM 0 HG3 GLN B 66 -21.263 -2.664 8.515 1.00 21.33 H new ATOM 0 HE21 GLN B 66 -22.153 -3.657 5.829 1.00 71.20 H new ATOM 0 HE22 GLN B 66 -23.018 -5.161 6.164 1.00 71.20 H new ATOM 2622 N MET B 67 -17.064 -2.577 5.270 1.00 21.11 N ATOM 2623 CA MET B 67 -16.094 -1.963 4.340 1.00 4.23 C ATOM 2624 C MET B 67 -15.517 -3.020 3.380 1.00 12.03 C ATOM 2625 O MET B 67 -15.255 -2.711 2.215 1.00 23.05 O ATOM 2626 CB MET B 67 -14.950 -1.233 5.116 1.00 23.32 C ATOM 2627 CG MET B 67 -15.324 0.165 5.637 1.00 11.41 C ATOM 2628 SD MET B 67 -16.779 0.169 6.702 1.00 33.33 S ATOM 2629 CE MET B 67 -16.952 1.914 7.060 1.00 71.23 C ATOM 0 H MET B 67 -16.732 -2.617 6.234 1.00 21.11 H new ATOM 0 HA MET B 67 -16.623 -1.216 3.749 1.00 4.23 H new ATOM 0 HB2 MET B 67 -14.648 -1.853 5.960 1.00 23.32 H new ATOM 0 HB3 MET B 67 -14.084 -1.143 4.461 1.00 23.32 H new ATOM 0 HG2 MET B 67 -14.479 0.577 6.188 1.00 11.41 H new ATOM 0 HG3 MET B 67 -15.503 0.825 4.788 1.00 11.41 H new ATOM 0 HE1 MET B 67 -16.825 2.080 8.130 1.00 71.23 H new ATOM 0 HE2 MET B 67 -16.194 2.475 6.513 1.00 71.23 H new ATOM 0 HE3 MET B 67 -17.943 2.251 6.756 1.00 71.23 H new ATOM 2639 N ILE B 68 -15.334 -4.264 3.883 1.00 32.12 N ATOM 2640 CA ILE B 68 -14.888 -5.415 3.066 1.00 1.01 C ATOM 2641 C ILE B 68 -15.957 -5.745 2.001 1.00 54.22 C ATOM 2642 O ILE B 68 -15.630 -5.990 0.840 1.00 42.50 O ATOM 2643 CB ILE B 68 -14.594 -6.695 3.950 1.00 72.45 C ATOM 2644 CG1 ILE B 68 -13.473 -6.405 4.995 1.00 2.44 C ATOM 2645 CG2 ILE B 68 -14.216 -7.925 3.080 1.00 52.42 C ATOM 2646 CD1 ILE B 68 -13.240 -7.527 6.001 1.00 1.00 C ATOM 0 H ILE B 68 -15.491 -4.496 4.864 1.00 32.12 H new ATOM 0 HA ILE B 68 -13.954 -5.132 2.580 1.00 1.01 H new ATOM 0 HB ILE B 68 -15.515 -6.935 4.482 1.00 72.45 H new ATOM 0 HG12 ILE B 68 -12.541 -6.211 4.464 1.00 2.44 H new ATOM 0 HG13 ILE B 68 -13.727 -5.494 5.538 1.00 2.44 H new ATOM 0 HG21 ILE B 68 -14.022 -8.782 3.726 1.00 52.42 H new ATOM 0 HG22 ILE B 68 -15.038 -8.159 2.404 1.00 52.42 H new ATOM 0 HG23 ILE B 68 -13.322 -7.699 2.499 1.00 52.42 H new ATOM 0 HD11 ILE B 68 -12.444 -7.240 6.688 1.00 1.00 H new ATOM 0 HD12 ILE B 68 -14.157 -7.709 6.562 1.00 1.00 H new ATOM 0 HD13 ILE B 68 -12.952 -8.436 5.472 1.00 1.00 H new ATOM 2658 N SER B 69 -17.235 -5.721 2.431 1.00 0.23 N ATOM 2659 CA SER B 69 -18.400 -5.972 1.564 1.00 73.13 C ATOM 2660 C SER B 69 -18.557 -4.861 0.507 1.00 72.13 C ATOM 2661 O SER B 69 -18.902 -5.135 -0.653 1.00 24.02 O ATOM 2662 CB SER B 69 -19.680 -6.070 2.430 1.00 54.53 C ATOM 2663 OG SER B 69 -20.819 -6.371 1.648 1.00 34.01 O ATOM 0 H SER B 69 -17.488 -5.525 3.400 1.00 0.23 H new ATOM 0 HA SER B 69 -18.243 -6.914 1.038 1.00 73.13 H new ATOM 0 HB2 SER B 69 -19.547 -6.840 3.190 1.00 54.53 H new ATOM 0 HB3 SER B 69 -19.837 -5.128 2.955 1.00 54.53 H new ATOM 0 HG SER B 69 -21.608 -6.427 2.227 1.00 34.01 H new ATOM 2669 N GLN B 70 -18.276 -3.612 0.928 1.00 63.13 N ATOM 2670 CA GLN B 70 -18.391 -2.420 0.077 1.00 0.02 C ATOM 2671 C GLN B 70 -17.357 -2.503 -1.056 1.00 72.33 C ATOM 2672 O GLN B 70 -17.698 -2.353 -2.228 1.00 11.53 O ATOM 2673 CB GLN B 70 -18.181 -1.133 0.944 1.00 62.11 C ATOM 2674 CG GLN B 70 -18.682 0.207 0.334 1.00 24.33 C ATOM 2675 CD GLN B 70 -17.889 0.762 -0.868 1.00 55.45 C ATOM 2676 OE1 GLN B 70 -18.450 1.424 -1.740 1.00 22.13 O ATOM 2677 NE2 GLN B 70 -16.586 0.525 -0.921 1.00 52.41 N ATOM 0 H GLN B 70 -17.961 -3.405 1.876 1.00 63.13 H new ATOM 0 HA GLN B 70 -19.385 -2.371 -0.367 1.00 0.02 H new ATOM 0 HB2 GLN B 70 -18.683 -1.281 1.900 1.00 62.11 H new ATOM 0 HB3 GLN B 70 -17.116 -1.034 1.155 1.00 62.11 H new ATOM 0 HG2 GLN B 70 -19.719 0.073 0.025 1.00 24.33 H new ATOM 0 HG3 GLN B 70 -18.679 0.961 1.121 1.00 24.33 H new ATOM 0 HE21 GLN B 70 -16.138 -0.026 -0.189 1.00 52.41 H new ATOM 0 HE22 GLN B 70 -16.032 0.894 -1.694 1.00 52.41 H new ATOM 2686 N ILE B 71 -16.094 -2.757 -0.677 1.00 52.22 N ATOM 2687 CA ILE B 71 -14.964 -2.759 -1.617 1.00 73.01 C ATOM 2688 C ILE B 71 -14.986 -4.018 -2.518 1.00 13.50 C ATOM 2689 O ILE B 71 -14.511 -3.976 -3.652 1.00 74.10 O ATOM 2690 CB ILE B 71 -13.589 -2.621 -0.865 1.00 40.44 C ATOM 2691 CG1 ILE B 71 -12.446 -2.274 -1.867 1.00 31.24 C ATOM 2692 CG2 ILE B 71 -13.249 -3.881 -0.031 1.00 33.33 C ATOM 2693 CD1 ILE B 71 -11.062 -2.266 -1.267 1.00 52.41 C ATOM 0 H ILE B 71 -15.829 -2.966 0.286 1.00 52.22 H new ATOM 0 HA ILE B 71 -15.074 -1.887 -2.262 1.00 73.01 H new ATOM 0 HB ILE B 71 -13.685 -1.797 -0.158 1.00 40.44 H new ATOM 0 HG12 ILE B 71 -12.468 -2.993 -2.685 1.00 31.24 H new ATOM 0 HG13 ILE B 71 -12.645 -1.293 -2.299 1.00 31.24 H new ATOM 0 HG21 ILE B 71 -12.291 -3.738 0.470 1.00 33.33 H new ATOM 0 HG22 ILE B 71 -14.027 -4.045 0.714 1.00 33.33 H new ATOM 0 HG23 ILE B 71 -13.189 -4.748 -0.689 1.00 33.33 H new ATOM 0 HD11 ILE B 71 -10.333 -2.015 -2.037 1.00 52.41 H new ATOM 0 HD12 ILE B 71 -11.016 -1.525 -0.468 1.00 52.41 H new ATOM 0 HD13 ILE B 71 -10.836 -3.252 -0.861 1.00 52.41 H new ATOM 2705 N ASP B 72 -15.554 -5.123 -1.990 1.00 24.14 N ATOM 2706 CA ASP B 72 -15.712 -6.400 -2.721 1.00 15.53 C ATOM 2707 C ASP B 72 -16.456 -6.188 -4.048 1.00 61.41 C ATOM 2708 O ASP B 72 -16.047 -6.704 -5.093 1.00 5.41 O ATOM 2709 CB ASP B 72 -16.479 -7.430 -1.833 1.00 53.11 C ATOM 2710 CG ASP B 72 -17.080 -8.627 -2.611 1.00 52.33 C ATOM 2711 OD1 ASP B 72 -16.331 -9.546 -2.992 1.00 73.34 O ATOM 2712 OD2 ASP B 72 -18.309 -8.636 -2.863 1.00 44.03 O ATOM 0 H ASP B 72 -15.919 -5.155 -1.038 1.00 24.14 H new ATOM 0 HA ASP B 72 -14.720 -6.790 -2.948 1.00 15.53 H new ATOM 0 HB2 ASP B 72 -15.799 -7.812 -1.072 1.00 53.11 H new ATOM 0 HB3 ASP B 72 -17.283 -6.912 -1.310 1.00 53.11 H new ATOM 2717 N LYS B 73 -17.537 -5.399 -3.988 1.00 75.15 N ATOM 2718 CA LYS B 73 -18.424 -5.164 -5.142 1.00 24.34 C ATOM 2719 C LYS B 73 -17.951 -3.968 -6.007 1.00 74.11 C ATOM 2720 O LYS B 73 -18.752 -3.367 -6.718 1.00 32.34 O ATOM 2721 CB LYS B 73 -19.883 -4.986 -4.647 1.00 71.21 C ATOM 2722 CG LYS B 73 -20.100 -3.823 -3.664 1.00 60.52 C ATOM 2723 CD LYS B 73 -21.540 -3.761 -3.106 1.00 22.03 C ATOM 2724 CE LYS B 73 -21.928 -5.043 -2.346 1.00 24.01 C ATOM 2725 NZ LYS B 73 -23.270 -4.934 -1.721 1.00 40.15 N ATOM 0 H LYS B 73 -17.823 -4.906 -3.142 1.00 75.15 H new ATOM 0 HA LYS B 73 -18.383 -6.036 -5.794 1.00 24.34 H new ATOM 0 HB2 LYS B 73 -20.528 -4.835 -5.512 1.00 71.21 H new ATOM 0 HB3 LYS B 73 -20.203 -5.911 -4.168 1.00 71.21 H new ATOM 0 HG2 LYS B 73 -19.399 -3.921 -2.835 1.00 60.52 H new ATOM 0 HG3 LYS B 73 -19.871 -2.883 -4.166 1.00 60.52 H new ATOM 0 HD2 LYS B 73 -21.632 -2.904 -2.439 1.00 22.03 H new ATOM 0 HD3 LYS B 73 -22.239 -3.602 -3.927 1.00 22.03 H new ATOM 0 HE2 LYS B 73 -21.915 -5.889 -3.033 1.00 24.01 H new ATOM 0 HE3 LYS B 73 -21.185 -5.247 -1.575 1.00 24.01 H new ATOM 0 HZ1 LYS B 73 -23.492 -5.818 -1.220 1.00 40.15 H new ATOM 0 HZ2 LYS B 73 -23.276 -4.142 -1.046 1.00 40.15 H new ATOM 0 HZ3 LYS B 73 -23.984 -4.765 -2.458 1.00 40.15 H new ATOM 2739 N LEU B 74 -16.640 -3.642 -5.944 1.00 73.11 N ATOM 2740 CA LEU B 74 -15.985 -2.660 -6.847 1.00 23.34 C ATOM 2741 C LEU B 74 -15.474 -3.370 -8.126 1.00 51.44 C ATOM 2742 O LEU B 74 -15.189 -4.570 -8.108 1.00 65.53 O ATOM 2743 CB LEU B 74 -14.823 -1.901 -6.111 1.00 34.31 C ATOM 2744 CG LEU B 74 -15.178 -0.501 -5.501 1.00 33.41 C ATOM 2745 CD1 LEU B 74 -15.514 0.520 -6.612 1.00 70.40 C ATOM 2746 CD2 LEU B 74 -16.325 -0.594 -4.473 1.00 51.31 C ATOM 0 H LEU B 74 -16.001 -4.053 -5.263 1.00 73.11 H new ATOM 0 HA LEU B 74 -16.723 -1.914 -7.141 1.00 23.34 H new ATOM 0 HB2 LEU B 74 -14.453 -2.539 -5.308 1.00 34.31 H new ATOM 0 HB3 LEU B 74 -14.002 -1.768 -6.816 1.00 34.31 H new ATOM 0 HG LEU B 74 -14.294 -0.149 -4.969 1.00 33.41 H new ATOM 0 HD11 LEU B 74 -15.756 1.482 -6.161 1.00 70.40 H new ATOM 0 HD12 LEU B 74 -14.654 0.635 -7.272 1.00 70.40 H new ATOM 0 HD13 LEU B 74 -16.368 0.164 -7.187 1.00 70.40 H new ATOM 0 HD21 LEU B 74 -16.539 0.398 -4.075 1.00 51.31 H new ATOM 0 HD22 LEU B 74 -17.217 -0.990 -4.958 1.00 51.31 H new ATOM 0 HD23 LEU B 74 -16.031 -1.256 -3.658 1.00 51.31 H new ATOM 2758 N GLU B 75 -15.375 -2.599 -9.224 1.00 13.51 N ATOM 2759 CA GLU B 75 -14.980 -3.105 -10.566 1.00 71.25 C ATOM 2760 C GLU B 75 -13.478 -3.421 -10.640 1.00 33.14 C ATOM 2761 O GLU B 75 -13.056 -4.342 -11.349 1.00 22.44 O ATOM 2762 CB GLU B 75 -15.359 -2.055 -11.646 1.00 12.01 C ATOM 2763 CG GLU B 75 -16.869 -1.756 -11.717 1.00 71.25 C ATOM 2764 CD GLU B 75 -17.238 -0.687 -12.751 1.00 61.03 C ATOM 2765 OE1 GLU B 75 -17.242 -0.995 -13.960 1.00 30.14 O ATOM 2766 OE2 GLU B 75 -17.512 0.467 -12.365 1.00 65.32 O ATOM 0 H GLU B 75 -15.567 -1.597 -9.212 1.00 13.51 H new ATOM 0 HA GLU B 75 -15.517 -4.036 -10.748 1.00 71.25 H new ATOM 0 HB2 GLU B 75 -14.823 -1.128 -11.442 1.00 12.01 H new ATOM 0 HB3 GLU B 75 -15.022 -2.411 -12.620 1.00 12.01 H new ATOM 0 HG2 GLU B 75 -17.402 -2.677 -11.954 1.00 71.25 H new ATOM 0 HG3 GLU B 75 -17.213 -1.432 -10.735 1.00 71.25 H new ATOM 2773 N ASP B 76 -12.694 -2.616 -9.923 1.00 31.22 N ATOM 2774 CA ASP B 76 -11.233 -2.770 -9.803 1.00 1.32 C ATOM 2775 C ASP B 76 -10.872 -4.054 -9.046 1.00 52.15 C ATOM 2776 O ASP B 76 -9.999 -4.820 -9.488 1.00 24.33 O ATOM 2777 CB ASP B 76 -10.623 -1.521 -9.118 1.00 74.53 C ATOM 2778 CG ASP B 76 -11.386 -1.077 -7.856 1.00 63.51 C ATOM 2779 OD1 ASP B 76 -12.441 -0.421 -8.007 1.00 42.13 O ATOM 2780 OD2 ASP B 76 -10.955 -1.369 -6.727 1.00 3.15 O ATOM 0 H ASP B 76 -13.058 -1.821 -9.397 1.00 31.22 H new ATOM 0 HA ASP B 76 -10.809 -2.856 -10.803 1.00 1.32 H new ATOM 0 HB2 ASP B 76 -9.588 -1.732 -8.851 1.00 74.53 H new ATOM 0 HB3 ASP B 76 -10.606 -0.697 -9.831 1.00 74.53 H new ATOM 2785 N VAL B 77 -11.555 -4.271 -7.912 1.00 32.32 N ATOM 2786 CA VAL B 77 -11.446 -5.495 -7.126 1.00 54.13 C ATOM 2787 C VAL B 77 -12.038 -6.662 -7.929 1.00 71.21 C ATOM 2788 O VAL B 77 -13.238 -6.708 -8.182 1.00 22.35 O ATOM 2789 CB VAL B 77 -12.167 -5.343 -5.732 1.00 73.44 C ATOM 2790 CG1 VAL B 77 -12.256 -6.686 -4.961 1.00 34.52 C ATOM 2791 CG2 VAL B 77 -11.453 -4.274 -4.873 1.00 42.31 C ATOM 0 H VAL B 77 -12.204 -3.590 -7.516 1.00 32.32 H new ATOM 0 HA VAL B 77 -10.394 -5.696 -6.922 1.00 54.13 H new ATOM 0 HB VAL B 77 -13.189 -5.022 -5.932 1.00 73.44 H new ATOM 0 HG11 VAL B 77 -12.761 -6.526 -4.008 1.00 34.52 H new ATOM 0 HG12 VAL B 77 -12.818 -7.409 -5.553 1.00 34.52 H new ATOM 0 HG13 VAL B 77 -11.252 -7.069 -4.779 1.00 34.52 H new ATOM 0 HG21 VAL B 77 -11.961 -4.179 -3.913 1.00 42.31 H new ATOM 0 HG22 VAL B 77 -10.418 -4.572 -4.707 1.00 42.31 H new ATOM 0 HG23 VAL B 77 -11.476 -3.316 -5.392 1.00 42.31 H new ATOM 2801 N VAL B 78 -11.155 -7.541 -8.397 1.00 15.43 N ATOM 2802 CA VAL B 78 -11.530 -8.785 -9.075 1.00 43.30 C ATOM 2803 C VAL B 78 -12.101 -9.770 -8.038 1.00 74.35 C ATOM 2804 O VAL B 78 -13.158 -10.369 -8.248 1.00 14.23 O ATOM 2805 CB VAL B 78 -10.293 -9.426 -9.815 1.00 70.25 C ATOM 2806 CG1 VAL B 78 -10.708 -10.651 -10.668 1.00 51.12 C ATOM 2807 CG2 VAL B 78 -9.553 -8.365 -10.672 1.00 33.33 C ATOM 0 H VAL B 78 -10.147 -7.410 -8.316 1.00 15.43 H new ATOM 0 HA VAL B 78 -12.286 -8.562 -9.828 1.00 43.30 H new ATOM 0 HB VAL B 78 -9.602 -9.786 -9.053 1.00 70.25 H new ATOM 0 HG11 VAL B 78 -9.829 -11.065 -11.162 1.00 51.12 H new ATOM 0 HG12 VAL B 78 -11.153 -11.409 -10.024 1.00 51.12 H new ATOM 0 HG13 VAL B 78 -11.435 -10.342 -11.419 1.00 51.12 H new ATOM 0 HG21 VAL B 78 -8.704 -8.830 -11.173 1.00 33.33 H new ATOM 0 HG22 VAL B 78 -10.236 -7.959 -11.418 1.00 33.33 H new ATOM 0 HG23 VAL B 78 -9.198 -7.560 -10.028 1.00 33.33 H new ATOM 2817 N LYS B 79 -11.382 -9.901 -6.905 1.00 32.30 N ATOM 2818 CA LYS B 79 -11.735 -10.799 -5.786 1.00 31.53 C ATOM 2819 C LYS B 79 -11.268 -10.181 -4.459 1.00 42.04 C ATOM 2820 O LYS B 79 -10.302 -9.415 -4.434 1.00 35.52 O ATOM 2821 CB LYS B 79 -11.077 -12.209 -5.941 1.00 10.31 C ATOM 2822 CG LYS B 79 -11.582 -13.048 -7.135 1.00 34.12 C ATOM 2823 CD LYS B 79 -10.917 -14.444 -7.212 1.00 52.11 C ATOM 2824 CE LYS B 79 -11.410 -15.274 -8.408 1.00 40.44 C ATOM 2825 NZ LYS B 79 -10.813 -16.635 -8.424 1.00 61.35 N ATOM 0 H LYS B 79 -10.524 -9.376 -6.739 1.00 32.30 H new ATOM 0 HA LYS B 79 -12.818 -10.921 -5.794 1.00 31.53 H new ATOM 0 HB2 LYS B 79 -9.999 -12.079 -6.040 1.00 10.31 H new ATOM 0 HB3 LYS B 79 -11.247 -12.773 -5.024 1.00 10.31 H new ATOM 0 HG2 LYS B 79 -12.662 -13.169 -7.057 1.00 34.12 H new ATOM 0 HG3 LYS B 79 -11.388 -12.507 -8.061 1.00 34.12 H new ATOM 0 HD2 LYS B 79 -9.836 -14.323 -7.281 1.00 52.11 H new ATOM 0 HD3 LYS B 79 -11.119 -14.989 -6.290 1.00 52.11 H new ATOM 0 HE2 LYS B 79 -12.496 -15.355 -8.370 1.00 40.44 H new ATOM 0 HE3 LYS B 79 -11.161 -14.758 -9.335 1.00 40.44 H new ATOM 0 HZ1 LYS B 79 -11.171 -17.162 -9.246 1.00 61.35 H new ATOM 0 HZ2 LYS B 79 -9.778 -16.559 -8.486 1.00 61.35 H new ATOM 0 HZ3 LYS B 79 -11.072 -17.138 -7.551 1.00 61.35 H new ATOM 2839 N VAL B 80 -11.969 -10.509 -3.369 1.00 12.21 N ATOM 2840 CA VAL B 80 -11.524 -10.204 -1.990 1.00 32.42 C ATOM 2841 C VAL B 80 -11.267 -11.536 -1.258 1.00 63.32 C ATOM 2842 O VAL B 80 -11.904 -12.549 -1.580 1.00 21.42 O ATOM 2843 CB VAL B 80 -12.594 -9.352 -1.192 1.00 10.20 C ATOM 2844 CG1 VAL B 80 -13.906 -10.139 -0.961 1.00 73.12 C ATOM 2845 CG2 VAL B 80 -12.020 -8.833 0.152 1.00 63.54 C ATOM 0 H VAL B 80 -12.865 -10.995 -3.410 1.00 12.21 H new ATOM 0 HA VAL B 80 -10.614 -9.606 -2.043 1.00 32.42 H new ATOM 0 HB VAL B 80 -12.834 -8.489 -1.813 1.00 10.20 H new ATOM 0 HG11 VAL B 80 -14.611 -9.517 -0.410 1.00 73.12 H new ATOM 0 HG12 VAL B 80 -14.339 -10.414 -1.923 1.00 73.12 H new ATOM 0 HG13 VAL B 80 -13.693 -11.041 -0.387 1.00 73.12 H new ATOM 0 HG21 VAL B 80 -12.781 -8.253 0.673 1.00 63.54 H new ATOM 0 HG22 VAL B 80 -11.722 -9.679 0.771 1.00 63.54 H new ATOM 0 HG23 VAL B 80 -11.153 -8.202 -0.042 1.00 63.54 H new ATOM 2855 N GLN B 81 -10.336 -11.546 -0.294 1.00 35.03 N ATOM 2856 CA GLN B 81 -10.115 -12.731 0.565 1.00 65.10 C ATOM 2857 C GLN B 81 -9.599 -12.300 1.947 1.00 13.31 C ATOM 2858 O GLN B 81 -8.605 -11.576 2.058 1.00 73.55 O ATOM 2859 CB GLN B 81 -9.163 -13.756 -0.120 1.00 32.44 C ATOM 2860 CG GLN B 81 -8.841 -15.018 0.719 1.00 10.20 C ATOM 2861 CD GLN B 81 -8.115 -16.112 -0.078 1.00 64.03 C ATOM 2862 OE1 GLN B 81 -8.749 -16.977 -0.684 1.00 34.25 O ATOM 2863 NE2 GLN B 81 -6.789 -16.091 -0.089 1.00 24.20 N ATOM 0 H GLN B 81 -9.725 -10.756 -0.086 1.00 35.03 H new ATOM 0 HA GLN B 81 -11.069 -13.237 0.710 1.00 65.10 H new ATOM 0 HB2 GLN B 81 -9.611 -14.070 -1.063 1.00 32.44 H new ATOM 0 HB3 GLN B 81 -8.227 -13.253 -0.364 1.00 32.44 H new ATOM 0 HG2 GLN B 81 -8.225 -14.731 1.572 1.00 10.20 H new ATOM 0 HG3 GLN B 81 -9.769 -15.426 1.119 1.00 10.20 H new ATOM 0 HE21 GLN B 81 -6.286 -15.364 0.421 1.00 24.20 H new ATOM 0 HE22 GLN B 81 -6.272 -16.801 -0.607 1.00 24.20 H new ATOM 2872 N ARG B 82 -10.306 -12.749 2.995 1.00 31.12 N ATOM 2873 CA ARG B 82 -9.992 -12.436 4.393 1.00 15.04 C ATOM 2874 C ARG B 82 -9.115 -13.558 4.970 1.00 15.52 C ATOM 2875 O ARG B 82 -9.406 -14.743 4.760 1.00 33.10 O ATOM 2876 CB ARG B 82 -11.304 -12.306 5.217 1.00 3.40 C ATOM 2877 CG ARG B 82 -12.362 -11.365 4.594 1.00 24.24 C ATOM 2878 CD ARG B 82 -13.653 -11.288 5.432 1.00 54.31 C ATOM 2879 NE ARG B 82 -14.230 -12.624 5.700 1.00 1.53 N ATOM 2880 CZ ARG B 82 -15.491 -12.869 6.095 1.00 2.50 C ATOM 2881 NH1 ARG B 82 -16.369 -11.876 6.270 1.00 40.22 N ATOM 2882 NH2 ARG B 82 -15.857 -14.114 6.362 1.00 51.23 N ATOM 0 H ARG B 82 -11.124 -13.349 2.891 1.00 31.12 H new ATOM 0 HA ARG B 82 -9.455 -11.489 4.446 1.00 15.04 H new ATOM 0 HB2 ARG B 82 -11.743 -13.297 5.337 1.00 3.40 H new ATOM 0 HB3 ARG B 82 -11.057 -11.944 6.215 1.00 3.40 H new ATOM 0 HG2 ARG B 82 -11.939 -10.366 4.492 1.00 24.24 H new ATOM 0 HG3 ARG B 82 -12.605 -11.712 3.590 1.00 24.24 H new ATOM 0 HD2 ARG B 82 -13.440 -10.790 6.378 1.00 54.31 H new ATOM 0 HD3 ARG B 82 -14.387 -10.676 4.908 1.00 54.31 H new ATOM 0 HE ARG B 82 -13.617 -13.429 5.574 1.00 1.53 H new ATOM 0 HH11 ARG B 82 -16.087 -10.910 6.103 1.00 40.22 H new ATOM 0 HH12 ARG B 82 -17.321 -12.084 6.570 1.00 40.22 H new ATOM 0 HH21 ARG B 82 -15.184 -14.875 6.267 1.00 51.23 H new ATOM 0 HH22 ARG B 82 -16.811 -14.312 6.663 1.00 51.23 H new ATOM 2896 N ASN B 83 -8.045 -13.178 5.681 1.00 44.33 N ATOM 2897 CA ASN B 83 -7.084 -14.123 6.303 1.00 23.41 C ATOM 2898 C ASN B 83 -6.804 -13.674 7.749 1.00 21.31 C ATOM 2899 O ASN B 83 -6.904 -12.478 8.063 1.00 30.23 O ATOM 2900 CB ASN B 83 -5.743 -14.180 5.507 1.00 74.13 C ATOM 2901 CG ASN B 83 -5.907 -14.519 4.021 1.00 45.33 C ATOM 2902 OD1 ASN B 83 -5.899 -15.682 3.634 1.00 32.21 O ATOM 2903 ND2 ASN B 83 -6.069 -13.501 3.182 1.00 34.34 N ATOM 0 H ASN B 83 -7.813 -12.199 5.847 1.00 44.33 H new ATOM 0 HA ASN B 83 -7.524 -15.120 6.292 1.00 23.41 H new ATOM 0 HB2 ASN B 83 -5.240 -13.217 5.595 1.00 74.13 H new ATOM 0 HB3 ASN B 83 -5.092 -14.923 5.968 1.00 74.13 H new ATOM 0 HD21 ASN B 83 -6.191 -13.677 2.185 1.00 34.34 H new ATOM 0 HD22 ASN B 83 -6.071 -12.544 3.535 1.00 34.34 H new ATOM 2910 N GLN B 84 -6.455 -14.633 8.621 1.00 50.43 N ATOM 2911 CA GLN B 84 -6.031 -14.343 10.001 1.00 12.13 C ATOM 2912 C GLN B 84 -4.524 -14.042 9.992 1.00 4.32 C ATOM 2913 O GLN B 84 -3.779 -14.606 9.175 1.00 73.21 O ATOM 2914 CB GLN B 84 -6.331 -15.548 10.934 1.00 74.45 C ATOM 2915 CG GLN B 84 -5.926 -15.326 12.410 1.00 44.43 C ATOM 2916 CD GLN B 84 -6.156 -16.546 13.294 1.00 12.14 C ATOM 2917 OE1 GLN B 84 -7.229 -16.712 13.877 1.00 22.11 O ATOM 2918 NE2 GLN B 84 -5.157 -17.410 13.395 1.00 2.13 N ATOM 0 H GLN B 84 -6.458 -15.627 8.391 1.00 50.43 H new ATOM 0 HA GLN B 84 -6.584 -13.483 10.380 1.00 12.13 H new ATOM 0 HB2 GLN B 84 -7.398 -15.769 10.891 1.00 74.45 H new ATOM 0 HB3 GLN B 84 -5.808 -16.426 10.554 1.00 74.45 H new ATOM 0 HG2 GLN B 84 -4.872 -15.051 12.452 1.00 44.43 H new ATOM 0 HG3 GLN B 84 -6.492 -14.485 12.811 1.00 44.43 H new ATOM 0 HE21 GLN B 84 -4.283 -17.239 12.898 1.00 2.13 H new ATOM 0 HE22 GLN B 84 -5.262 -18.246 13.970 1.00 2.13 H new ATOM 2927 N SER B 85 -4.092 -13.134 10.875 1.00 22.23 N ATOM 2928 CA SER B 85 -2.705 -12.691 10.935 1.00 54.43 C ATOM 2929 C SER B 85 -1.840 -13.701 11.686 1.00 72.23 C ATOM 2930 O SER B 85 -2.175 -14.148 12.792 1.00 14.21 O ATOM 2931 CB SER B 85 -2.612 -11.287 11.549 1.00 1.51 C ATOM 2932 OG SER B 85 -1.273 -10.829 11.619 1.00 64.22 O ATOM 0 H SER B 85 -4.698 -12.690 11.565 1.00 22.23 H new ATOM 0 HA SER B 85 -2.317 -12.630 9.918 1.00 54.43 H new ATOM 0 HB2 SER B 85 -3.203 -10.591 10.954 1.00 1.51 H new ATOM 0 HB3 SER B 85 -3.045 -11.299 12.549 1.00 1.51 H new ATOM 0 HG SER B 85 -1.265 -9.852 11.697 1.00 64.22 H new ATOM 2938 N ASP B 86 -0.739 -14.061 11.028 1.00 3.04 N ATOM 2939 CA ASP B 86 0.278 -14.992 11.516 1.00 23.54 C ATOM 2940 C ASP B 86 1.645 -14.479 11.036 1.00 4.30 C ATOM 2941 O ASP B 86 1.735 -13.952 9.913 1.00 50.53 O ATOM 2942 CB ASP B 86 0.014 -16.443 10.999 1.00 60.40 C ATOM 2943 CG ASP B 86 -1.100 -17.157 11.787 1.00 63.24 C ATOM 2944 OD1 ASP B 86 -0.792 -17.743 12.849 1.00 43.30 O ATOM 2945 OD2 ASP B 86 -2.284 -17.114 11.373 1.00 33.52 O ATOM 0 H ASP B 86 -0.522 -13.696 10.100 1.00 3.04 H new ATOM 0 HA ASP B 86 0.250 -15.039 12.605 1.00 23.54 H new ATOM 0 HB2 ASP B 86 -0.259 -16.405 9.944 1.00 60.40 H new ATOM 0 HB3 ASP B 86 0.934 -17.023 11.070 1.00 60.40 H new ATOM 2950 N PRO B 87 2.735 -14.626 11.861 1.00 72.12 N ATOM 2951 CA PRO B 87 4.089 -14.098 11.518 1.00 23.33 C ATOM 2952 C PRO B 87 4.651 -14.710 10.217 1.00 3.10 C ATOM 2953 O PRO B 87 5.374 -14.045 9.460 1.00 21.11 O ATOM 2954 CB PRO B 87 4.946 -14.490 12.756 1.00 12.23 C ATOM 2955 CG PRO B 87 4.198 -15.621 13.403 1.00 73.32 C ATOM 2956 CD PRO B 87 2.738 -15.304 13.191 1.00 34.32 C ATOM 0 HA PRO B 87 4.080 -13.026 11.323 1.00 23.33 H new ATOM 0 HB2 PRO B 87 5.949 -14.798 12.460 1.00 12.23 H new ATOM 0 HB3 PRO B 87 5.059 -13.649 13.440 1.00 12.23 H new ATOM 0 HG2 PRO B 87 4.463 -16.577 12.951 1.00 73.32 H new ATOM 0 HG3 PRO B 87 4.435 -15.693 14.464 1.00 73.32 H new ATOM 0 HD2 PRO B 87 2.125 -16.205 13.187 1.00 34.32 H new ATOM 0 HD3 PRO B 87 2.347 -14.656 13.976 1.00 34.32 H new ATOM 2964 N THR B 88 4.282 -15.971 9.964 1.00 34.52 N ATOM 2965 CA THR B 88 4.743 -16.730 8.803 1.00 62.41 C ATOM 2966 C THR B 88 4.023 -16.297 7.518 1.00 25.32 C ATOM 2967 O THR B 88 4.627 -16.328 6.447 1.00 54.31 O ATOM 2968 CB THR B 88 4.532 -18.254 9.020 1.00 3.52 C ATOM 2969 OG1 THR B 88 3.145 -18.505 9.319 1.00 62.10 O ATOM 2970 CG2 THR B 88 5.418 -18.804 10.160 1.00 30.22 C ATOM 0 H THR B 88 3.649 -16.496 10.567 1.00 34.52 H new ATOM 0 HA THR B 88 5.807 -16.522 8.691 1.00 62.41 H new ATOM 0 HB THR B 88 4.820 -18.767 8.103 1.00 3.52 H new ATOM 0 HG1 THR B 88 3.008 -19.466 9.455 1.00 62.10 H new ATOM 0 HG21 THR B 88 5.238 -19.873 10.277 1.00 30.22 H new ATOM 0 HG22 THR B 88 6.468 -18.637 9.918 1.00 30.22 H new ATOM 0 HG23 THR B 88 5.174 -18.291 11.090 1.00 30.22 H new ATOM 2978 N MET B 89 2.729 -15.904 7.651 1.00 73.15 N ATOM 2979 CA MET B 89 1.876 -15.486 6.518 1.00 10.51 C ATOM 2980 C MET B 89 2.560 -14.383 5.689 1.00 74.34 C ATOM 2981 O MET B 89 2.687 -14.512 4.466 1.00 75.22 O ATOM 2982 CB MET B 89 0.493 -14.998 7.044 1.00 24.32 C ATOM 2983 CG MET B 89 -0.458 -14.416 5.974 1.00 23.12 C ATOM 2984 SD MET B 89 -0.836 -15.584 4.647 1.00 25.21 S ATOM 2985 CE MET B 89 -1.889 -14.596 3.577 1.00 73.22 C ATOM 0 H MET B 89 2.251 -15.870 8.552 1.00 73.15 H new ATOM 0 HA MET B 89 1.722 -16.346 5.866 1.00 10.51 H new ATOM 0 HB2 MET B 89 -0.006 -15.835 7.532 1.00 24.32 H new ATOM 0 HB3 MET B 89 0.662 -14.238 7.807 1.00 24.32 H new ATOM 0 HG2 MET B 89 -1.387 -14.107 6.453 1.00 23.12 H new ATOM 0 HG3 MET B 89 -0.007 -13.521 5.544 1.00 23.12 H new ATOM 0 HE1 MET B 89 -2.196 -15.192 2.718 1.00 73.22 H new ATOM 0 HE2 MET B 89 -2.772 -14.276 4.130 1.00 73.22 H new ATOM 0 HE3 MET B 89 -1.339 -13.720 3.233 1.00 73.22 H new ATOM 2995 N PHE B 90 3.053 -13.345 6.397 1.00 22.21 N ATOM 2996 CA PHE B 90 3.715 -12.186 5.780 1.00 21.43 C ATOM 2997 C PHE B 90 5.012 -12.597 5.050 1.00 61.00 C ATOM 2998 O PHE B 90 5.259 -12.150 3.926 1.00 11.24 O ATOM 2999 CB PHE B 90 4.012 -11.092 6.847 1.00 64.23 C ATOM 3000 CG PHE B 90 4.720 -9.850 6.287 1.00 44.23 C ATOM 3001 CD1 PHE B 90 3.996 -8.846 5.636 1.00 23.14 C ATOM 3002 CD2 PHE B 90 6.111 -9.698 6.390 1.00 31.33 C ATOM 3003 CE1 PHE B 90 4.637 -7.735 5.117 1.00 43.50 C ATOM 3004 CE2 PHE B 90 6.744 -8.588 5.870 1.00 2.32 C ATOM 3005 CZ PHE B 90 6.010 -7.611 5.231 1.00 2.20 C ATOM 0 H PHE B 90 3.001 -13.291 7.414 1.00 22.21 H new ATOM 0 HA PHE B 90 3.033 -11.773 5.037 1.00 21.43 H new ATOM 0 HB2 PHE B 90 3.074 -10.785 7.309 1.00 64.23 H new ATOM 0 HB3 PHE B 90 4.629 -11.525 7.635 1.00 64.23 H new ATOM 0 HD1 PHE B 90 2.925 -8.939 5.537 1.00 23.14 H new ATOM 0 HD2 PHE B 90 6.695 -10.461 6.884 1.00 31.33 H new ATOM 0 HE1 PHE B 90 4.065 -6.964 4.622 1.00 43.50 H new ATOM 0 HE2 PHE B 90 7.815 -8.484 5.963 1.00 2.32 H new ATOM 0 HZ PHE B 90 6.509 -6.746 4.818 1.00 2.20 H new ATOM 3015 N ASN B 91 5.828 -13.457 5.691 1.00 42.53 N ATOM 3016 CA ASN B 91 7.167 -13.797 5.173 1.00 12.40 C ATOM 3017 C ASN B 91 7.063 -14.768 3.983 1.00 73.01 C ATOM 3018 O ASN B 91 7.868 -14.697 3.056 1.00 65.32 O ATOM 3019 CB ASN B 91 8.055 -14.381 6.296 1.00 51.04 C ATOM 3020 CG ASN B 91 9.497 -14.666 5.839 1.00 5.13 C ATOM 3021 OD1 ASN B 91 9.826 -15.773 5.411 1.00 52.02 O ATOM 3022 ND2 ASN B 91 10.358 -13.662 5.900 1.00 13.15 N ATOM 0 H ASN B 91 5.585 -13.926 6.563 1.00 42.53 H new ATOM 0 HA ASN B 91 7.638 -12.882 4.815 1.00 12.40 H new ATOM 0 HB2 ASN B 91 8.077 -13.684 7.133 1.00 51.04 H new ATOM 0 HB3 ASN B 91 7.607 -15.305 6.662 1.00 51.04 H new ATOM 0 HD21 ASN B 91 11.320 -13.795 5.588 1.00 13.15 H new ATOM 0 HD22 ASN B 91 10.059 -12.755 6.259 1.00 13.15 H new ATOM 3029 N LYS B 92 6.037 -15.638 4.017 1.00 42.31 N ATOM 3030 CA LYS B 92 5.800 -16.667 2.992 1.00 74.10 C ATOM 3031 C LYS B 92 5.441 -16.013 1.641 1.00 2.45 C ATOM 3032 O LYS B 92 6.053 -16.312 0.620 1.00 42.54 O ATOM 3033 CB LYS B 92 4.685 -17.644 3.490 1.00 4.31 C ATOM 3034 CG LYS B 92 4.344 -18.840 2.551 1.00 64.44 C ATOM 3035 CD LYS B 92 3.212 -18.525 1.534 1.00 43.32 C ATOM 3036 CE LYS B 92 2.879 -19.713 0.627 1.00 12.45 C ATOM 3037 NZ LYS B 92 1.739 -19.423 -0.273 1.00 0.12 N ATOM 0 H LYS B 92 5.343 -15.645 4.765 1.00 42.31 H new ATOM 0 HA LYS B 92 6.710 -17.245 2.830 1.00 74.10 H new ATOM 0 HB2 LYS B 92 4.988 -18.044 4.457 1.00 4.31 H new ATOM 0 HB3 LYS B 92 3.774 -17.068 3.655 1.00 4.31 H new ATOM 0 HG2 LYS B 92 5.242 -19.131 2.005 1.00 64.44 H new ATOM 0 HG3 LYS B 92 4.049 -19.696 3.158 1.00 64.44 H new ATOM 0 HD2 LYS B 92 2.315 -18.226 2.077 1.00 43.32 H new ATOM 0 HD3 LYS B 92 3.509 -17.676 0.918 1.00 43.32 H new ATOM 0 HE2 LYS B 92 3.755 -19.971 0.031 1.00 12.45 H new ATOM 0 HE3 LYS B 92 2.644 -20.583 1.241 1.00 12.45 H new ATOM 0 HZ1 LYS B 92 1.547 -20.253 -0.869 1.00 0.12 H new ATOM 0 HZ2 LYS B 92 0.896 -19.202 0.295 1.00 0.12 H new ATOM 0 HZ3 LYS B 92 1.972 -18.609 -0.877 1.00 0.12 H new ATOM 3051 N ILE B 93 4.459 -15.105 1.655 1.00 44.44 N ATOM 3052 CA ILE B 93 3.990 -14.407 0.438 1.00 75.43 C ATOM 3053 C ILE B 93 5.075 -13.445 -0.104 1.00 60.41 C ATOM 3054 O ILE B 93 5.149 -13.203 -1.314 1.00 71.32 O ATOM 3055 CB ILE B 93 2.642 -13.648 0.729 1.00 43.41 C ATOM 3056 CG1 ILE B 93 2.854 -12.565 1.837 1.00 12.00 C ATOM 3057 CG2 ILE B 93 1.530 -14.655 1.118 1.00 71.10 C ATOM 3058 CD1 ILE B 93 1.599 -12.042 2.520 1.00 3.40 C ATOM 0 H ILE B 93 3.964 -14.829 2.503 1.00 44.44 H new ATOM 0 HA ILE B 93 3.800 -15.151 -0.336 1.00 75.43 H new ATOM 0 HB ILE B 93 2.321 -13.134 -0.177 1.00 43.41 H new ATOM 0 HG12 ILE B 93 3.510 -12.982 2.601 1.00 12.00 H new ATOM 0 HG13 ILE B 93 3.379 -11.719 1.392 1.00 12.00 H new ATOM 0 HG21 ILE B 93 0.604 -14.116 1.316 1.00 71.10 H new ATOM 0 HG22 ILE B 93 1.373 -15.357 0.300 1.00 71.10 H new ATOM 0 HG23 ILE B 93 1.830 -15.201 2.012 1.00 71.10 H new ATOM 0 HD11 ILE B 93 1.875 -11.298 3.267 1.00 3.40 H new ATOM 0 HD12 ILE B 93 0.944 -11.586 1.778 1.00 3.40 H new ATOM 0 HD13 ILE B 93 1.078 -12.867 3.005 1.00 3.40 H new ATOM 3070 N ALA B 94 5.917 -12.925 0.813 1.00 31.35 N ATOM 3071 CA ALA B 94 7.027 -12.024 0.479 1.00 43.51 C ATOM 3072 C ALA B 94 8.206 -12.779 -0.175 1.00 42.24 C ATOM 3073 O ALA B 94 8.836 -12.259 -1.104 1.00 5.01 O ATOM 3074 CB ALA B 94 7.491 -11.283 1.742 1.00 45.22 C ATOM 0 H ALA B 94 5.841 -13.123 1.811 1.00 31.35 H new ATOM 0 HA ALA B 94 6.666 -11.301 -0.252 1.00 43.51 H new ATOM 0 HB1 ALA B 94 8.315 -10.615 1.490 1.00 45.22 H new ATOM 0 HB2 ALA B 94 6.663 -10.701 2.147 1.00 45.22 H new ATOM 0 HB3 ALA B 94 7.825 -12.006 2.486 1.00 45.22 H new ATOM 3080 N VAL B 95 8.508 -14.004 0.315 1.00 23.01 N ATOM 3081 CA VAL B 95 9.646 -14.803 -0.195 1.00 35.15 C ATOM 3082 C VAL B 95 9.267 -15.516 -1.507 1.00 45.22 C ATOM 3083 O VAL B 95 10.129 -15.733 -2.365 1.00 3.41 O ATOM 3084 CB VAL B 95 10.191 -15.843 0.866 1.00 43.42 C ATOM 3085 CG1 VAL B 95 9.174 -16.968 1.156 1.00 1.10 C ATOM 3086 CG2 VAL B 95 11.557 -16.431 0.432 1.00 32.12 C ATOM 0 H VAL B 95 7.981 -14.459 1.060 1.00 23.01 H new ATOM 0 HA VAL B 95 10.456 -14.101 -0.392 1.00 35.15 H new ATOM 0 HB VAL B 95 10.339 -15.293 1.796 1.00 43.42 H new ATOM 0 HG11 VAL B 95 9.593 -17.657 1.890 1.00 1.10 H new ATOM 0 HG12 VAL B 95 8.254 -16.535 1.549 1.00 1.10 H new ATOM 0 HG13 VAL B 95 8.956 -17.508 0.235 1.00 1.10 H new ATOM 0 HG21 VAL B 95 11.902 -17.141 1.183 1.00 32.12 H new ATOM 0 HG22 VAL B 95 11.446 -16.940 -0.525 1.00 32.12 H new ATOM 0 HG23 VAL B 95 12.285 -15.626 0.333 1.00 32.12 H new ATOM 3096 N PHE B 96 7.973 -15.889 -1.654 1.00 1.52 N ATOM 3097 CA PHE B 96 7.468 -16.483 -2.902 1.00 3.22 C ATOM 3098 C PHE B 96 7.459 -15.408 -3.993 1.00 1.05 C ATOM 3099 O PHE B 96 8.076 -15.605 -5.047 1.00 12.22 O ATOM 3100 CB PHE B 96 6.048 -17.109 -2.706 1.00 23.52 C ATOM 3101 CG PHE B 96 6.046 -18.533 -2.118 1.00 45.30 C ATOM 3102 CD1 PHE B 96 6.704 -18.825 -0.922 1.00 12.52 C ATOM 3103 CD2 PHE B 96 5.380 -19.577 -2.766 1.00 61.23 C ATOM 3104 CE1 PHE B 96 6.697 -20.103 -0.395 1.00 42.54 C ATOM 3105 CE2 PHE B 96 5.376 -20.856 -2.237 1.00 3.53 C ATOM 3106 CZ PHE B 96 6.038 -21.119 -1.053 1.00 63.31 C ATOM 0 H PHE B 96 7.268 -15.787 -0.924 1.00 1.52 H new ATOM 0 HA PHE B 96 8.127 -17.297 -3.203 1.00 3.22 H new ATOM 0 HB2 PHE B 96 5.467 -16.460 -2.051 1.00 23.52 H new ATOM 0 HB3 PHE B 96 5.538 -17.128 -3.669 1.00 23.52 H new ATOM 0 HD1 PHE B 96 7.228 -18.039 -0.399 1.00 12.52 H new ATOM 0 HD2 PHE B 96 4.861 -19.383 -3.693 1.00 61.23 H new ATOM 0 HE1 PHE B 96 7.209 -20.306 0.534 1.00 42.54 H new ATOM 0 HE2 PHE B 96 4.854 -21.650 -2.751 1.00 3.53 H new ATOM 0 HZ PHE B 96 6.039 -22.119 -0.644 1.00 63.31 H new