USER MOD reduce.3.24.130724 H: found=0, std=0, add=843, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 837 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 103 HIS : no HD1:sc= -0.0142 K(o=0.014,f=-3.3!) USER MOD Set 1.2: B 105 GLN : amide:sc= 0.0282 K(o=0.014,f=-0.74) USER MOD Set 2.1: A 73 HIS : no HE2:sc= -3.65 K(o=-3.8,f=-7.7!) USER MOD Set 2.2: B 107 THR OG1 : rot 180:sc= -0.173 USER MOD Set 3.1: A 61 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 62 HIS : no HD1:sc= -1.85 X(o=-1.9,f=-2.3!) USER MOD Set 4.1: A 42 HIS : no HD1:sc= -0.0299 X(o=-4.1,f=-4.3) USER MOD Set 4.2: A 56 GLN : amide:sc= -4.05! C(o=-4.1!,f=-8.1!) USER MOD Set 5.1: A 20 THR OG1 : rot 70:sc= 0.208 USER MOD Set 5.2: B 108 LYS NZ :NH3+ 166:sc= 1.26 (180deg=0) USER MOD Set 6.1: A 17 TYR OH : rot -116:sc= 0.497 USER MOD Set 6.2: A 83 SER OG : rot -68:sc= 0.419 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0.00621 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS :FLIP no HD1:sc= -0.0916 F(o=-0.95,f=-0.092) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.03) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -160:sc= -0.0335 (180deg=-0.434) USER MOD Single : A 31 SER OG : rot 51:sc= -1.24! USER MOD Single : A 34 TYR OH : rot 180:sc= 0.597 USER MOD Single : A 35 THR OG1 : rot 74:sc= 0.375 USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.74 X(o=-0.74,f=-0.93) USER MOD Single : A 39 MET CE :methyl 153:sc= 0 (180deg=-0.149) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -3.08! C(o=-3.1!,f=-6.7!) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0528 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.681 K(o=-0.68,f=-1.8!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot -150:sc= -1.05 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0325 USER MOD Single : A 92 THR OG1 : rot 91:sc= -1.15 USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 102 GLN : amide:sc= 1.2 K(o=1.2,f=-3.4!) USER MOD Single : B 104 THR OG1 : rot -115:sc= 1.63 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.161 19.180 -3.614 1.00 1.49 N ATOM 2 CA GLY A 1 3.681 19.209 -3.667 1.00 1.50 C ATOM 3 C GLY A 1 3.072 18.106 -2.831 1.00 1.34 C ATOM 4 O GLY A 1 3.545 16.970 -2.863 1.00 1.45 O ATOM 0 H1 GLY A 1 5.544 19.950 -4.198 1.00 1.49 H new ATOM 0 H2 GLY A 1 5.476 19.302 -2.630 1.00 1.49 H new ATOM 0 H3 GLY A 1 5.504 18.267 -3.976 1.00 1.49 H new ATOM 0 HA2 GLY A 1 3.323 20.175 -3.312 1.00 1.50 H new ATOM 0 HA3 GLY A 1 3.351 19.107 -4.701 1.00 1.50 H new ATOM 10 N GLY A 2 2.036 18.437 -2.077 1.00 1.30 N ATOM 11 CA GLY A 2 1.383 17.452 -1.240 1.00 1.18 C ATOM 12 C GLY A 2 0.168 16.865 -1.919 1.00 1.19 C ATOM 13 O GLY A 2 0.241 15.784 -2.508 1.00 1.20 O ATOM 0 H GLY A 2 1.634 19.373 -2.029 1.00 1.30 H new ATOM 0 HA2 GLY A 2 2.086 16.655 -0.998 1.00 1.18 H new ATOM 0 HA3 GLY A 2 1.087 17.913 -0.298 1.00 1.18 H new ATOM 17 N SER A 3 -0.945 17.580 -1.849 1.00 1.25 N ATOM 18 CA SER A 3 -2.178 17.135 -2.470 1.00 1.29 C ATOM 19 C SER A 3 -2.083 17.282 -3.986 1.00 1.36 C ATOM 20 O SER A 3 -1.989 18.393 -4.509 1.00 1.54 O ATOM 21 CB SER A 3 -3.348 17.946 -1.920 1.00 1.41 C ATOM 22 OG SER A 3 -3.169 18.196 -0.534 1.00 1.39 O ATOM 0 H SER A 3 -1.017 18.475 -1.365 1.00 1.25 H new ATOM 0 HA SER A 3 -2.342 16.082 -2.239 1.00 1.29 H new ATOM 0 HB2 SER A 3 -3.429 18.890 -2.459 1.00 1.41 H new ATOM 0 HB3 SER A 3 -4.281 17.406 -2.081 1.00 1.41 H new ATOM 0 HG SER A 3 -3.926 18.718 -0.195 1.00 1.39 H new ATOM 28 N MET A 4 -2.089 16.157 -4.684 1.00 1.28 N ATOM 29 CA MET A 4 -1.989 16.156 -6.139 1.00 1.37 C ATOM 30 C MET A 4 -2.601 14.886 -6.718 1.00 1.38 C ATOM 31 O MET A 4 -3.336 14.930 -7.704 1.00 1.57 O ATOM 32 CB MET A 4 -0.519 16.269 -6.562 1.00 1.36 C ATOM 33 CG MET A 4 -0.285 16.063 -8.052 1.00 1.51 C ATOM 34 SD MET A 4 -0.983 17.387 -9.060 1.00 1.75 S ATOM 35 CE MET A 4 -0.672 16.755 -10.708 1.00 1.95 C ATOM 0 H MET A 4 -2.162 15.229 -4.267 1.00 1.28 H new ATOM 0 HA MET A 4 -2.540 17.013 -6.525 1.00 1.37 H new ATOM 0 HB2 MET A 4 -0.145 17.253 -6.279 1.00 1.36 H new ATOM 0 HB3 MET A 4 0.065 15.534 -6.008 1.00 1.36 H new ATOM 0 HG2 MET A 4 0.786 15.995 -8.241 1.00 1.51 H new ATOM 0 HG3 MET A 4 -0.723 15.112 -8.356 1.00 1.51 H new ATOM 0 HE1 MET A 4 -1.048 17.464 -11.446 1.00 1.95 H new ATOM 0 HE2 MET A 4 0.400 16.618 -10.849 1.00 1.95 H new ATOM 0 HE3 MET A 4 -1.179 15.798 -10.832 1.00 1.95 H new ATOM 45 N ARG A 5 -2.298 13.758 -6.095 1.00 1.21 N ATOM 46 CA ARG A 5 -2.805 12.473 -6.548 1.00 1.23 C ATOM 47 C ARG A 5 -4.117 12.133 -5.852 1.00 1.21 C ATOM 48 O ARG A 5 -4.166 12.050 -4.624 1.00 1.14 O ATOM 49 CB ARG A 5 -1.779 11.371 -6.285 1.00 1.15 C ATOM 50 CG ARG A 5 -0.670 11.298 -7.324 1.00 1.23 C ATOM 51 CD ARG A 5 0.390 12.364 -7.096 1.00 1.22 C ATOM 52 NE ARG A 5 1.335 12.425 -8.208 1.00 1.29 N ATOM 53 CZ ARG A 5 2.557 12.949 -8.134 1.00 1.34 C ATOM 54 NH1 ARG A 5 2.985 13.506 -7.009 1.00 1.32 N ATOM 55 NH2 ARG A 5 3.345 12.929 -9.196 1.00 1.48 N ATOM 0 H ARG A 5 -1.700 13.707 -5.270 1.00 1.21 H new ATOM 0 HA ARG A 5 -2.986 12.542 -7.621 1.00 1.23 H new ATOM 0 HB2 ARG A 5 -1.333 11.530 -5.303 1.00 1.15 H new ATOM 0 HB3 ARG A 5 -2.293 10.411 -6.249 1.00 1.15 H new ATOM 0 HG2 ARG A 5 -0.206 10.312 -7.292 1.00 1.23 H new ATOM 0 HG3 ARG A 5 -1.097 11.417 -8.320 1.00 1.23 H new ATOM 0 HD2 ARG A 5 -0.090 13.335 -6.971 1.00 1.22 H new ATOM 0 HD3 ARG A 5 0.927 12.153 -6.172 1.00 1.22 H new ATOM 0 HE ARG A 5 1.038 12.039 -9.104 1.00 1.29 H new ATOM 0 HH11 ARG A 5 2.377 13.536 -6.191 1.00 1.32 H new ATOM 0 HH12 ARG A 5 3.923 13.905 -6.962 1.00 1.32 H new ATOM 0 HH21 ARG A 5 3.016 12.513 -10.067 1.00 1.48 H new ATOM 0 HH22 ARG A 5 4.282 13.329 -9.144 1.00 1.48 H new ATOM 69 N PRO A 6 -5.202 11.949 -6.622 1.00 1.28 N ATOM 70 CA PRO A 6 -6.514 11.607 -6.066 1.00 1.28 C ATOM 71 C PRO A 6 -6.513 10.204 -5.460 1.00 1.20 C ATOM 72 O PRO A 6 -6.167 9.229 -6.132 1.00 1.19 O ATOM 73 CB PRO A 6 -7.444 11.683 -7.279 1.00 1.41 C ATOM 74 CG PRO A 6 -6.569 11.437 -8.440 1.00 1.43 C ATOM 75 CD PRO A 6 -5.244 12.051 -8.093 1.00 1.37 C ATOM 0 HA PRO A 6 -6.815 12.271 -5.255 1.00 1.28 H new ATOM 0 HB2 PRO A 6 -8.237 10.938 -7.217 1.00 1.41 H new ATOM 0 HB3 PRO A 6 -7.927 12.658 -7.347 1.00 1.41 H new ATOM 0 HG2 PRO A 6 -6.466 10.369 -8.633 1.00 1.43 H new ATOM 0 HG3 PRO A 6 -6.983 11.885 -9.343 1.00 1.43 H new ATOM 0 HD2 PRO A 6 -4.417 11.514 -8.558 1.00 1.37 H new ATOM 0 HD3 PRO A 6 -5.180 13.087 -8.427 1.00 1.37 H new ATOM 83 N PRO A 7 -6.886 10.080 -4.176 1.00 1.16 N ATOM 84 CA PRO A 7 -6.910 8.789 -3.489 1.00 1.08 C ATOM 85 C PRO A 7 -7.873 7.785 -4.114 1.00 1.12 C ATOM 86 O PRO A 7 -8.850 8.150 -4.776 1.00 1.23 O ATOM 87 CB PRO A 7 -7.367 9.128 -2.069 1.00 1.05 C ATOM 88 CG PRO A 7 -7.147 10.591 -1.917 1.00 1.12 C ATOM 89 CD PRO A 7 -7.303 11.181 -3.290 1.00 1.20 C ATOM 0 HA PRO A 7 -5.932 8.311 -3.541 1.00 1.08 H new ATOM 0 HB2 PRO A 7 -8.416 8.872 -1.923 1.00 1.05 H new ATOM 0 HB3 PRO A 7 -6.796 8.567 -1.329 1.00 1.05 H new ATOM 0 HG2 PRO A 7 -7.868 11.023 -1.223 1.00 1.12 H new ATOM 0 HG3 PRO A 7 -6.155 10.796 -1.515 1.00 1.12 H new ATOM 0 HD2 PRO A 7 -8.331 11.486 -3.483 1.00 1.20 H new ATOM 0 HD3 PRO A 7 -6.678 12.064 -3.423 1.00 1.20 H new ATOM 97 N ILE A 8 -7.567 6.520 -3.901 1.00 1.04 N ATOM 98 CA ILE A 8 -8.366 5.419 -4.389 1.00 1.07 C ATOM 99 C ILE A 8 -9.346 4.997 -3.300 1.00 1.05 C ATOM 100 O ILE A 8 -9.006 4.191 -2.435 1.00 0.97 O ATOM 101 CB ILE A 8 -7.474 4.218 -4.759 1.00 1.04 C ATOM 102 CG1 ILE A 8 -6.377 4.643 -5.741 1.00 1.08 C ATOM 103 CG2 ILE A 8 -8.307 3.087 -5.336 1.00 1.09 C ATOM 104 CD1 ILE A 8 -6.857 4.824 -7.165 1.00 1.19 C ATOM 0 H ILE A 8 -6.743 6.227 -3.376 1.00 1.04 H new ATOM 0 HA ILE A 8 -8.903 5.742 -5.281 1.00 1.07 H new ATOM 0 HB ILE A 8 -6.995 3.855 -3.850 1.00 1.04 H new ATOM 0 HG12 ILE A 8 -5.938 5.579 -5.395 1.00 1.08 H new ATOM 0 HG13 ILE A 8 -5.584 3.895 -5.729 1.00 1.08 H new ATOM 0 HG21 ILE A 8 -7.657 2.250 -5.590 1.00 1.09 H new ATOM 0 HG22 ILE A 8 -9.043 2.765 -4.599 1.00 1.09 H new ATOM 0 HG23 ILE A 8 -8.820 3.434 -6.233 1.00 1.09 H new ATOM 0 HD11 ILE A 8 -6.020 5.125 -7.796 1.00 1.19 H new ATOM 0 HD12 ILE A 8 -7.269 3.884 -7.532 1.00 1.19 H new ATOM 0 HD13 ILE A 8 -7.628 5.594 -7.194 1.00 1.19 H new ATOM 116 N ILE A 9 -10.531 5.592 -3.304 1.00 1.12 N ATOM 117 CA ILE A 9 -11.547 5.276 -2.311 1.00 1.12 C ATOM 118 C ILE A 9 -12.101 3.872 -2.543 1.00 1.13 C ATOM 119 O ILE A 9 -12.973 3.663 -3.388 1.00 1.21 O ATOM 120 CB ILE A 9 -12.705 6.304 -2.337 1.00 1.23 C ATOM 121 CG1 ILE A 9 -12.298 7.668 -1.773 1.00 1.23 C ATOM 122 CG2 ILE A 9 -13.893 5.790 -1.541 1.00 1.26 C ATOM 123 CD1 ILE A 9 -10.937 8.188 -2.188 1.00 1.20 C ATOM 0 H ILE A 9 -10.812 6.297 -3.985 1.00 1.12 H new ATOM 0 HA ILE A 9 -11.072 5.320 -1.331 1.00 1.12 H new ATOM 0 HB ILE A 9 -12.972 6.432 -3.386 1.00 1.23 H new ATOM 0 HG12 ILE A 9 -13.049 8.399 -2.072 1.00 1.23 H new ATOM 0 HG13 ILE A 9 -12.325 7.610 -0.685 1.00 1.23 H new ATOM 0 HG21 ILE A 9 -14.697 6.526 -1.571 1.00 1.26 H new ATOM 0 HG22 ILE A 9 -14.243 4.853 -1.974 1.00 1.26 H new ATOM 0 HG23 ILE A 9 -13.593 5.622 -0.507 1.00 1.26 H new ATOM 0 HD11 ILE A 9 -10.762 9.160 -1.726 1.00 1.20 H new ATOM 0 HD12 ILE A 9 -10.166 7.489 -1.864 1.00 1.20 H new ATOM 0 HD13 ILE A 9 -10.902 8.290 -3.273 1.00 1.20 H new ATOM 135 N ILE A 10 -11.562 2.916 -1.811 1.00 1.03 N ATOM 136 CA ILE A 10 -11.978 1.533 -1.915 1.00 1.03 C ATOM 137 C ILE A 10 -13.060 1.211 -0.907 1.00 1.04 C ATOM 138 O ILE A 10 -12.904 1.457 0.286 1.00 0.99 O ATOM 139 CB ILE A 10 -10.791 0.588 -1.683 1.00 0.93 C ATOM 140 CG1 ILE A 10 -9.649 0.959 -2.616 1.00 0.93 C ATOM 141 CG2 ILE A 10 -11.206 -0.857 -1.905 1.00 0.94 C ATOM 142 CD1 ILE A 10 -8.316 0.373 -2.220 1.00 0.84 C ATOM 0 H ILE A 10 -10.823 3.078 -1.127 1.00 1.03 H new ATOM 0 HA ILE A 10 -12.370 1.389 -2.922 1.00 1.03 H new ATOM 0 HB ILE A 10 -10.456 0.691 -0.651 1.00 0.93 H new ATOM 0 HG12 ILE A 10 -9.895 0.626 -3.624 1.00 0.93 H new ATOM 0 HG13 ILE A 10 -9.561 2.045 -2.651 1.00 0.93 H new ATOM 0 HG21 ILE A 10 -10.351 -1.511 -1.736 1.00 0.94 H new ATOM 0 HG22 ILE A 10 -12.005 -1.117 -1.210 1.00 0.94 H new ATOM 0 HG23 ILE A 10 -11.560 -0.981 -2.928 1.00 0.94 H new ATOM 0 HD11 ILE A 10 -7.555 0.684 -2.935 1.00 0.84 H new ATOM 0 HD12 ILE A 10 -8.045 0.726 -1.225 1.00 0.84 H new ATOM 0 HD13 ILE A 10 -8.384 -0.715 -2.213 1.00 0.84 H new ATOM 154 N HIS A 11 -14.155 0.675 -1.398 1.00 1.13 N ATOM 155 CA HIS A 11 -15.262 0.299 -0.548 1.00 1.17 C ATOM 156 C HIS A 11 -15.011 -1.080 0.046 1.00 1.10 C ATOM 157 O HIS A 11 -14.374 -1.926 -0.577 1.00 1.08 O ATOM 158 CB HIS A 11 -16.558 0.297 -1.351 1.00 1.31 C ATOM 159 CG HIS A 11 -17.100 1.664 -1.623 1.00 1.40 C ATOM 160 ND1 HIS A 11 -16.604 2.863 -1.260 1.00 1.57 N flip ATOM 161 CD2 HIS A 11 -18.261 1.852 -2.329 1.00 1.41 C flip ATOM 162 CE1 HIS A 11 -17.462 3.816 -1.743 1.00 1.64 C flip ATOM 163 NE2 HIS A 11 -18.442 3.161 -2.377 1.00 1.54 N flip ATOM 0 H HIS A 11 -14.303 0.489 -2.390 1.00 1.13 H new ATOM 0 HA HIS A 11 -15.352 1.023 0.262 1.00 1.17 H new ATOM 0 HB2 HIS A 11 -16.386 -0.211 -2.300 1.00 1.31 H new ATOM 0 HB3 HIS A 11 -17.308 -0.281 -0.811 1.00 1.31 H new ATOM 0 HD2 HIS A 11 -18.895 1.090 -2.757 1.00 1.41 H new ATOM 0 HE1 HIS A 11 -17.366 4.886 -1.634 1.00 1.64 H new ATOM 0 HE2 HIS A 11 -19.230 3.615 -2.839 1.00 1.54 H new ATOM 171 N ARG A 12 -15.500 -1.295 1.251 1.00 1.10 N ATOM 172 CA ARG A 12 -15.335 -2.557 1.934 1.00 1.06 C ATOM 173 C ARG A 12 -16.184 -3.640 1.275 1.00 1.10 C ATOM 174 O ARG A 12 -17.291 -3.373 0.807 1.00 1.17 O ATOM 175 CB ARG A 12 -15.734 -2.373 3.396 1.00 1.08 C ATOM 176 CG ARG A 12 -17.194 -2.018 3.585 1.00 1.15 C ATOM 177 CD ARG A 12 -17.575 -2.116 5.042 1.00 1.20 C ATOM 178 NE ARG A 12 -19.007 -1.929 5.257 1.00 1.31 N ATOM 179 CZ ARG A 12 -19.547 -1.585 6.424 1.00 1.44 C ATOM 180 NH1 ARG A 12 -18.774 -1.368 7.483 1.00 1.51 N ATOM 181 NH2 ARG A 12 -20.860 -1.447 6.535 1.00 1.56 N ATOM 0 H ARG A 12 -16.022 -0.598 1.782 1.00 1.10 H new ATOM 0 HA ARG A 12 -14.294 -2.875 1.875 1.00 1.06 H new ATOM 0 HB2 ARG A 12 -15.518 -3.292 3.941 1.00 1.08 H new ATOM 0 HB3 ARG A 12 -15.118 -1.589 3.836 1.00 1.08 H new ATOM 0 HG2 ARG A 12 -17.379 -1.007 3.221 1.00 1.15 H new ATOM 0 HG3 ARG A 12 -17.817 -2.689 2.994 1.00 1.15 H new ATOM 0 HD2 ARG A 12 -17.277 -3.091 5.428 1.00 1.20 H new ATOM 0 HD3 ARG A 12 -17.024 -1.366 5.610 1.00 1.20 H new ATOM 0 HE ARG A 12 -19.632 -2.071 4.464 1.00 1.31 H new ATOM 0 HH11 ARG A 12 -17.762 -1.465 7.404 1.00 1.51 H new ATOM 0 HH12 ARG A 12 -19.193 -1.105 8.375 1.00 1.51 H new ATOM 0 HH21 ARG A 12 -21.460 -1.604 5.725 1.00 1.56 H new ATOM 0 HH22 ARG A 12 -21.271 -1.183 7.430 1.00 1.56 H new ATOM 195 N ALA A 13 -15.651 -4.852 1.213 1.00 1.11 N ATOM 196 CA ALA A 13 -16.376 -5.969 0.623 1.00 1.17 C ATOM 197 C ALA A 13 -17.010 -6.815 1.717 1.00 1.23 C ATOM 198 O ALA A 13 -17.801 -7.719 1.448 1.00 1.93 O ATOM 199 CB ALA A 13 -15.452 -6.813 -0.244 1.00 1.12 C ATOM 0 H ALA A 13 -14.722 -5.087 1.563 1.00 1.11 H new ATOM 0 HA ALA A 13 -17.167 -5.574 -0.015 1.00 1.17 H new ATOM 0 HB1 ALA A 13 -16.014 -7.642 -0.675 1.00 1.12 H new ATOM 0 HB2 ALA A 13 -15.042 -6.198 -1.045 1.00 1.12 H new ATOM 0 HB3 ALA A 13 -14.638 -7.205 0.366 1.00 1.12 H new ATOM 205 N GLY A 14 -16.653 -6.513 2.954 1.00 1.35 N ATOM 206 CA GLY A 14 -17.188 -7.240 4.084 1.00 1.44 C ATOM 207 C GLY A 14 -16.088 -7.723 4.998 1.00 1.47 C ATOM 208 O GLY A 14 -16.199 -7.639 6.221 1.00 1.64 O ATOM 0 H GLY A 14 -15.997 -5.771 3.197 1.00 1.35 H new ATOM 0 HA2 GLY A 14 -17.871 -6.599 4.641 1.00 1.44 H new ATOM 0 HA3 GLY A 14 -17.769 -8.092 3.729 1.00 1.44 H new ATOM 212 N LYS A 15 -15.018 -8.219 4.401 1.00 1.47 N ATOM 213 CA LYS A 15 -13.882 -8.713 5.161 1.00 1.64 C ATOM 214 C LYS A 15 -12.578 -8.173 4.595 1.00 1.33 C ATOM 215 O LYS A 15 -11.658 -7.850 5.345 1.00 1.36 O ATOM 216 CB LYS A 15 -13.862 -10.241 5.168 1.00 2.01 C ATOM 217 CG LYS A 15 -14.648 -10.853 6.311 1.00 2.59 C ATOM 218 CD LYS A 15 -13.972 -10.609 7.647 1.00 2.85 C ATOM 219 CE LYS A 15 -14.801 -11.144 8.803 1.00 3.53 C ATOM 220 NZ LYS A 15 -14.073 -11.038 10.094 1.00 4.00 N ATOM 0 H LYS A 15 -14.912 -8.291 3.389 1.00 1.47 H new ATOM 0 HA LYS A 15 -13.985 -8.362 6.188 1.00 1.64 H new ATOM 0 HB2 LYS A 15 -14.266 -10.606 4.224 1.00 2.01 H new ATOM 0 HB3 LYS A 15 -12.828 -10.582 5.225 1.00 2.01 H new ATOM 0 HG2 LYS A 15 -15.653 -10.432 6.329 1.00 2.59 H new ATOM 0 HG3 LYS A 15 -14.755 -11.925 6.147 1.00 2.59 H new ATOM 0 HD2 LYS A 15 -12.992 -11.086 7.651 1.00 2.85 H new ATOM 0 HD3 LYS A 15 -13.807 -9.540 7.782 1.00 2.85 H new ATOM 0 HE2 LYS A 15 -15.738 -10.590 8.866 1.00 3.53 H new ATOM 0 HE3 LYS A 15 -15.059 -12.186 8.615 1.00 3.53 H new ATOM 0 HZ1 LYS A 15 -14.669 -11.412 10.860 1.00 4.00 H new ATOM 0 HZ2 LYS A 15 -13.191 -11.587 10.041 1.00 4.00 H new ATOM 0 HZ3 LYS A 15 -13.849 -10.041 10.285 1.00 4.00 H new ATOM 234 N LYS A 16 -12.507 -8.072 3.274 1.00 1.18 N ATOM 235 CA LYS A 16 -11.312 -7.570 2.612 1.00 0.94 C ATOM 236 C LYS A 16 -11.677 -6.526 1.558 1.00 0.86 C ATOM 237 O LYS A 16 -12.848 -6.369 1.221 1.00 1.07 O ATOM 238 CB LYS A 16 -10.535 -8.727 1.982 1.00 1.08 C ATOM 239 CG LYS A 16 -10.072 -9.756 2.998 1.00 1.43 C ATOM 240 CD LYS A 16 -8.576 -9.975 2.911 1.00 1.71 C ATOM 241 CE LYS A 16 -8.240 -11.252 2.162 1.00 2.07 C ATOM 242 NZ LYS A 16 -8.774 -11.252 0.774 1.00 3.06 N ATOM 0 H LYS A 16 -13.263 -8.331 2.641 1.00 1.18 H new ATOM 0 HA LYS A 16 -10.677 -7.089 3.356 1.00 0.94 H new ATOM 0 HB2 LYS A 16 -11.164 -9.217 1.238 1.00 1.08 H new ATOM 0 HB3 LYS A 16 -9.668 -8.330 1.455 1.00 1.08 H new ATOM 0 HG2 LYS A 16 -10.336 -9.424 4.002 1.00 1.43 H new ATOM 0 HG3 LYS A 16 -10.591 -10.699 2.827 1.00 1.43 H new ATOM 0 HD2 LYS A 16 -8.112 -9.126 2.409 1.00 1.71 H new ATOM 0 HD3 LYS A 16 -8.155 -10.021 3.916 1.00 1.71 H new ATOM 0 HE2 LYS A 16 -7.158 -11.378 2.132 1.00 2.07 H new ATOM 0 HE3 LYS A 16 -8.646 -12.106 2.705 1.00 2.07 H new ATOM 0 HZ1 LYS A 16 -8.420 -12.088 0.266 1.00 3.06 H new ATOM 0 HZ2 LYS A 16 -9.813 -11.278 0.802 1.00 3.06 H new ATOM 0 HZ3 LYS A 16 -8.462 -10.390 0.282 1.00 3.06 H new ATOM 256 N TYR A 17 -10.679 -5.805 1.054 1.00 0.70 N ATOM 257 CA TYR A 17 -10.915 -4.775 0.042 1.00 0.74 C ATOM 258 C TYR A 17 -10.692 -5.326 -1.355 1.00 0.83 C ATOM 259 O TYR A 17 -10.998 -4.671 -2.353 1.00 0.92 O ATOM 260 CB TYR A 17 -10.014 -3.562 0.273 1.00 0.70 C ATOM 261 CG TYR A 17 -10.221 -2.915 1.619 1.00 0.66 C ATOM 262 CD1 TYR A 17 -11.216 -1.967 1.819 1.00 0.73 C ATOM 263 CD2 TYR A 17 -9.424 -3.265 2.691 1.00 0.60 C ATOM 264 CE1 TYR A 17 -11.406 -1.388 3.058 1.00 0.74 C ATOM 265 CE2 TYR A 17 -9.601 -2.698 3.929 1.00 0.61 C ATOM 266 CZ TYR A 17 -10.596 -1.758 4.112 1.00 0.69 C ATOM 267 OH TYR A 17 -10.782 -1.184 5.348 1.00 0.73 O ATOM 0 H TYR A 17 -9.702 -5.913 1.327 1.00 0.70 H new ATOM 0 HA TYR A 17 -11.954 -4.459 0.132 1.00 0.74 H new ATOM 0 HB2 TYR A 17 -8.972 -3.869 0.181 1.00 0.70 H new ATOM 0 HB3 TYR A 17 -10.200 -2.826 -0.509 1.00 0.70 H new ATOM 0 HD1 TYR A 17 -11.850 -1.679 0.994 1.00 0.73 H new ATOM 0 HD2 TYR A 17 -8.645 -4.000 2.553 1.00 0.60 H new ATOM 0 HE1 TYR A 17 -12.183 -0.651 3.201 1.00 0.74 H new ATOM 0 HE2 TYR A 17 -8.966 -2.985 4.754 1.00 0.61 H new ATOM 0 HH TYR A 17 -9.986 -0.666 5.591 1.00 0.73 H new ATOM 277 N GLY A 18 -10.130 -6.520 -1.428 1.00 0.83 N ATOM 278 CA GLY A 18 -9.915 -7.140 -2.714 1.00 0.95 C ATOM 279 C GLY A 18 -8.515 -6.972 -3.248 1.00 0.92 C ATOM 280 O GLY A 18 -8.250 -7.305 -4.398 1.00 1.03 O ATOM 0 H GLY A 18 -9.821 -7.068 -0.625 1.00 0.83 H new ATOM 0 HA2 GLY A 18 -10.138 -8.204 -2.635 1.00 0.95 H new ATOM 0 HA3 GLY A 18 -10.620 -6.719 -3.431 1.00 0.95 H new ATOM 284 N PHE A 19 -7.615 -6.440 -2.450 1.00 0.79 N ATOM 285 CA PHE A 19 -6.251 -6.279 -2.923 1.00 0.79 C ATOM 286 C PHE A 19 -5.232 -6.859 -1.968 1.00 0.72 C ATOM 287 O PHE A 19 -5.512 -7.155 -0.804 1.00 0.65 O ATOM 288 CB PHE A 19 -5.903 -4.822 -3.243 1.00 0.80 C ATOM 289 CG PHE A 19 -5.679 -3.923 -2.054 1.00 0.71 C ATOM 290 CD1 PHE A 19 -6.734 -3.264 -1.444 1.00 0.70 C ATOM 291 CD2 PHE A 19 -4.395 -3.715 -1.570 1.00 0.67 C ATOM 292 CE1 PHE A 19 -6.513 -2.413 -0.374 1.00 0.64 C ATOM 293 CE2 PHE A 19 -4.168 -2.874 -0.499 1.00 0.59 C ATOM 294 CZ PHE A 19 -5.229 -2.221 0.098 1.00 0.58 C ATOM 0 H PHE A 19 -7.791 -6.119 -1.498 1.00 0.79 H new ATOM 0 HA PHE A 19 -6.204 -6.846 -3.852 1.00 0.79 H new ATOM 0 HB2 PHE A 19 -5.003 -4.810 -3.858 1.00 0.80 H new ATOM 0 HB3 PHE A 19 -6.707 -4.401 -3.847 1.00 0.80 H new ATOM 0 HD1 PHE A 19 -7.740 -3.416 -1.807 1.00 0.70 H new ATOM 0 HD2 PHE A 19 -3.562 -4.218 -2.038 1.00 0.67 H new ATOM 0 HE1 PHE A 19 -7.343 -1.901 0.090 1.00 0.64 H new ATOM 0 HE2 PHE A 19 -3.164 -2.727 -0.129 1.00 0.59 H new ATOM 0 HZ PHE A 19 -5.055 -1.560 0.934 1.00 0.58 H new ATOM 304 N THR A 20 -4.046 -7.011 -2.498 1.00 0.76 N ATOM 305 CA THR A 20 -2.921 -7.553 -1.754 1.00 0.74 C ATOM 306 C THR A 20 -1.891 -6.479 -1.489 1.00 0.71 C ATOM 307 O THR A 20 -1.383 -5.854 -2.419 1.00 0.80 O ATOM 308 CB THR A 20 -2.240 -8.695 -2.523 1.00 0.87 C ATOM 309 OG1 THR A 20 -3.205 -9.698 -2.849 1.00 0.92 O ATOM 310 CG2 THR A 20 -1.091 -9.315 -1.722 1.00 0.89 C ATOM 0 H THR A 20 -3.825 -6.763 -3.462 1.00 0.76 H new ATOM 0 HA THR A 20 -3.316 -7.935 -0.813 1.00 0.74 H new ATOM 0 HB THR A 20 -1.817 -8.278 -3.437 1.00 0.87 H new ATOM 0 HG1 THR A 20 -3.819 -9.352 -3.530 1.00 0.92 H new ATOM 0 HG21 THR A 20 -0.636 -10.119 -2.301 1.00 0.89 H new ATOM 0 HG22 THR A 20 -0.342 -8.552 -1.510 1.00 0.89 H new ATOM 0 HG23 THR A 20 -1.476 -9.716 -0.785 1.00 0.89 H new ATOM 318 N LEU A 21 -1.585 -6.262 -0.232 1.00 0.61 N ATOM 319 CA LEU A 21 -0.598 -5.278 0.127 1.00 0.60 C ATOM 320 C LEU A 21 0.720 -5.991 0.352 1.00 0.67 C ATOM 321 O LEU A 21 0.810 -6.906 1.174 1.00 0.65 O ATOM 322 CB LEU A 21 -1.036 -4.508 1.370 1.00 0.47 C ATOM 323 CG LEU A 21 -0.122 -3.356 1.781 1.00 0.47 C ATOM 324 CD1 LEU A 21 0.057 -2.374 0.635 1.00 0.52 C ATOM 325 CD2 LEU A 21 -0.687 -2.654 3.000 1.00 0.39 C ATOM 0 H LEU A 21 -2.006 -6.754 0.556 1.00 0.61 H new ATOM 0 HA LEU A 21 -0.482 -4.548 -0.674 1.00 0.60 H new ATOM 0 HB2 LEU A 21 -2.037 -4.112 1.198 1.00 0.47 H new ATOM 0 HB3 LEU A 21 -1.109 -5.207 2.203 1.00 0.47 H new ATOM 0 HG LEU A 21 0.857 -3.763 2.032 1.00 0.47 H new ATOM 0 HD11 LEU A 21 0.712 -1.562 0.951 1.00 0.52 H new ATOM 0 HD12 LEU A 21 0.501 -2.887 -0.218 1.00 0.52 H new ATOM 0 HD13 LEU A 21 -0.913 -1.968 0.349 1.00 0.52 H new ATOM 0 HD21 LEU A 21 -0.028 -1.834 3.286 1.00 0.39 H new ATOM 0 HD22 LEU A 21 -1.676 -2.260 2.767 1.00 0.39 H new ATOM 0 HD23 LEU A 21 -0.763 -3.362 3.825 1.00 0.39 H new ATOM 337 N ARG A 22 1.724 -5.618 -0.413 1.00 0.79 N ATOM 338 CA ARG A 22 3.020 -6.244 -0.296 1.00 0.89 C ATOM 339 C ARG A 22 4.070 -5.247 0.165 1.00 0.90 C ATOM 340 O ARG A 22 4.373 -4.267 -0.519 1.00 0.94 O ATOM 341 CB ARG A 22 3.424 -6.888 -1.622 1.00 1.03 C ATOM 342 CG ARG A 22 2.749 -8.222 -1.882 1.00 1.03 C ATOM 343 CD ARG A 22 3.692 -9.173 -2.607 1.00 1.21 C ATOM 344 NE ARG A 22 5.033 -9.206 -2.007 1.00 1.31 N ATOM 345 CZ ARG A 22 6.168 -9.305 -2.708 1.00 1.47 C ATOM 346 NH1 ARG A 22 6.141 -9.371 -4.036 1.00 1.60 N ATOM 347 NH2 ARG A 22 7.335 -9.356 -2.076 1.00 1.66 N ATOM 0 H ARG A 22 1.666 -4.886 -1.121 1.00 0.79 H new ATOM 0 HA ARG A 22 2.952 -7.027 0.460 1.00 0.89 H new ATOM 0 HB2 ARG A 22 3.184 -6.204 -2.436 1.00 1.03 H new ATOM 0 HB3 ARG A 22 4.505 -7.029 -1.633 1.00 1.03 H new ATOM 0 HG2 ARG A 22 2.434 -8.665 -0.937 1.00 1.03 H new ATOM 0 HG3 ARG A 22 1.850 -8.069 -2.479 1.00 1.03 H new ATOM 0 HD2 ARG A 22 3.268 -10.177 -2.596 1.00 1.21 H new ATOM 0 HD3 ARG A 22 3.773 -8.872 -3.652 1.00 1.21 H new ATOM 0 HE ARG A 22 5.103 -9.150 -0.991 1.00 1.31 H new ATOM 0 HH11 ARG A 22 5.249 -9.346 -4.530 1.00 1.60 H new ATOM 0 HH12 ARG A 22 7.012 -9.446 -4.561 1.00 1.60 H new ATOM 0 HH21 ARG A 22 7.365 -9.320 -1.057 1.00 1.66 H new ATOM 0 HH22 ARG A 22 8.201 -9.432 -2.610 1.00 1.66 H new ATOM 361 N ALA A 23 4.604 -5.506 1.342 1.00 0.90 N ATOM 362 CA ALA A 23 5.628 -4.672 1.937 1.00 0.92 C ATOM 363 C ALA A 23 6.979 -5.001 1.323 1.00 1.06 C ATOM 364 O ALA A 23 7.697 -5.870 1.824 1.00 1.07 O ATOM 365 CB ALA A 23 5.655 -4.907 3.434 1.00 0.90 C ATOM 0 H ALA A 23 4.338 -6.306 1.916 1.00 0.90 H new ATOM 0 HA ALA A 23 5.407 -3.622 1.745 1.00 0.92 H new ATOM 0 HB1 ALA A 23 6.424 -4.281 3.887 1.00 0.90 H new ATOM 0 HB2 ALA A 23 4.684 -4.653 3.860 1.00 0.90 H new ATOM 0 HB3 ALA A 23 5.876 -5.955 3.634 1.00 0.90 H new ATOM 371 N ILE A 24 7.305 -4.318 0.234 1.00 1.19 N ATOM 372 CA ILE A 24 8.557 -4.553 -0.468 1.00 1.33 C ATOM 373 C ILE A 24 9.719 -3.842 0.215 1.00 1.38 C ATOM 374 O ILE A 24 9.617 -2.674 0.588 1.00 1.29 O ATOM 375 CB ILE A 24 8.486 -4.125 -1.952 1.00 1.38 C ATOM 376 CG1 ILE A 24 7.971 -2.687 -2.092 1.00 1.29 C ATOM 377 CG2 ILE A 24 7.603 -5.089 -2.736 1.00 1.42 C ATOM 378 CD1 ILE A 24 8.337 -2.043 -3.413 1.00 1.35 C ATOM 0 H ILE A 24 6.718 -3.595 -0.182 1.00 1.19 H new ATOM 0 HA ILE A 24 8.728 -5.629 -0.434 1.00 1.33 H new ATOM 0 HB ILE A 24 9.495 -4.158 -2.363 1.00 1.38 H new ATOM 0 HG12 ILE A 24 6.886 -2.685 -1.984 1.00 1.29 H new ATOM 0 HG13 ILE A 24 8.374 -2.084 -1.278 1.00 1.29 H new ATOM 0 HG21 ILE A 24 7.561 -4.777 -3.780 1.00 1.42 H new ATOM 0 HG22 ILE A 24 8.018 -6.095 -2.674 1.00 1.42 H new ATOM 0 HG23 ILE A 24 6.597 -5.085 -2.315 1.00 1.42 H new ATOM 0 HD11 ILE A 24 7.942 -1.028 -3.445 1.00 1.35 H new ATOM 0 HD12 ILE A 24 9.422 -2.013 -3.515 1.00 1.35 H new ATOM 0 HD13 ILE A 24 7.911 -2.624 -4.231 1.00 1.35 H new ATOM 390 N ARG A 25 10.818 -4.564 0.390 1.00 1.56 N ATOM 391 CA ARG A 25 12.002 -4.009 1.022 1.00 1.65 C ATOM 392 C ARG A 25 13.094 -3.785 -0.013 1.00 1.72 C ATOM 393 O ARG A 25 13.694 -4.732 -0.522 1.00 1.95 O ATOM 394 CB ARG A 25 12.504 -4.924 2.141 1.00 1.73 C ATOM 395 CG ARG A 25 11.758 -4.740 3.455 1.00 1.63 C ATOM 396 CD ARG A 25 12.348 -5.600 4.560 1.00 2.12 C ATOM 397 NE ARG A 25 12.040 -5.069 5.890 1.00 2.58 N ATOM 398 CZ ARG A 25 11.599 -5.803 6.910 1.00 3.34 C ATOM 399 NH1 ARG A 25 11.334 -7.093 6.747 1.00 3.82 N ATOM 400 NH2 ARG A 25 11.409 -5.238 8.097 1.00 4.04 N ATOM 0 H ARG A 25 10.912 -5.538 0.101 1.00 1.56 H new ATOM 0 HA ARG A 25 11.736 -3.049 1.465 1.00 1.65 H new ATOM 0 HB2 ARG A 25 12.410 -5.962 1.821 1.00 1.73 H new ATOM 0 HB3 ARG A 25 13.565 -4.736 2.305 1.00 1.73 H new ATOM 0 HG2 ARG A 25 11.795 -3.692 3.751 1.00 1.63 H new ATOM 0 HG3 ARG A 25 10.708 -4.996 3.316 1.00 1.63 H new ATOM 0 HD2 ARG A 25 11.960 -6.615 4.476 1.00 2.12 H new ATOM 0 HD3 ARG A 25 13.429 -5.660 4.435 1.00 2.12 H new ATOM 0 HE ARG A 25 12.172 -4.070 6.045 1.00 2.58 H new ATOM 0 HH11 ARG A 25 11.468 -7.530 5.835 1.00 3.82 H new ATOM 0 HH12 ARG A 25 10.997 -7.648 7.534 1.00 3.82 H new ATOM 0 HH21 ARG A 25 11.601 -4.244 8.225 1.00 4.04 H new ATOM 0 HH22 ARG A 25 11.071 -5.798 8.880 1.00 4.04 H new ATOM 414 N VAL A 26 13.343 -2.525 -0.313 1.00 1.56 N ATOM 415 CA VAL A 26 14.346 -2.152 -1.293 1.00 1.61 C ATOM 416 C VAL A 26 15.529 -1.520 -0.591 1.00 1.61 C ATOM 417 O VAL A 26 15.375 -0.519 0.098 1.00 1.63 O ATOM 418 CB VAL A 26 13.772 -1.151 -2.320 1.00 1.61 C ATOM 419 CG1 VAL A 26 14.836 -0.703 -3.310 1.00 1.72 C ATOM 420 CG2 VAL A 26 12.587 -1.756 -3.048 1.00 1.63 C ATOM 0 H VAL A 26 12.859 -1.734 0.113 1.00 1.56 H new ATOM 0 HA VAL A 26 14.659 -3.052 -1.821 1.00 1.61 H new ATOM 0 HB VAL A 26 13.433 -0.270 -1.774 1.00 1.61 H new ATOM 0 HG11 VAL A 26 14.400 0.001 -4.019 1.00 1.72 H new ATOM 0 HG12 VAL A 26 15.652 -0.219 -2.773 1.00 1.72 H new ATOM 0 HG13 VAL A 26 15.220 -1.569 -3.848 1.00 1.72 H new ATOM 0 HG21 VAL A 26 12.196 -1.036 -3.767 1.00 1.63 H new ATOM 0 HG22 VAL A 26 12.904 -2.658 -3.572 1.00 1.63 H new ATOM 0 HG23 VAL A 26 11.809 -2.009 -2.328 1.00 1.63 H new ATOM 430 N TYR A 27 16.701 -2.103 -0.741 1.00 1.71 N ATOM 431 CA TYR A 27 17.877 -1.557 -0.097 1.00 1.72 C ATOM 432 C TYR A 27 18.232 -0.208 -0.689 1.00 1.67 C ATOM 433 O TYR A 27 18.058 0.032 -1.885 1.00 1.72 O ATOM 434 CB TYR A 27 19.058 -2.504 -0.199 1.00 1.86 C ATOM 435 CG TYR A 27 19.158 -3.468 0.961 1.00 1.85 C ATOM 436 CD1 TYR A 27 18.411 -4.636 0.986 1.00 1.89 C ATOM 437 CD2 TYR A 27 19.995 -3.203 2.033 1.00 1.92 C ATOM 438 CE1 TYR A 27 18.496 -5.515 2.049 1.00 1.97 C ATOM 439 CE2 TYR A 27 20.085 -4.077 3.099 1.00 1.97 C ATOM 440 CZ TYR A 27 19.334 -5.231 3.103 1.00 1.98 C ATOM 441 OH TYR A 27 19.421 -6.102 4.167 1.00 2.10 O ATOM 0 H TYR A 27 16.864 -2.944 -1.295 1.00 1.71 H new ATOM 0 HA TYR A 27 17.643 -1.427 0.960 1.00 1.72 H new ATOM 0 HB2 TYR A 27 18.980 -3.071 -1.127 1.00 1.86 H new ATOM 0 HB3 TYR A 27 19.977 -1.921 -0.257 1.00 1.86 H new ATOM 0 HD1 TYR A 27 17.752 -4.863 0.161 1.00 1.89 H new ATOM 0 HD2 TYR A 27 20.586 -2.299 2.035 1.00 1.92 H new ATOM 0 HE1 TYR A 27 17.908 -6.421 2.053 1.00 1.97 H new ATOM 0 HE2 TYR A 27 20.742 -3.856 3.927 1.00 1.97 H new ATOM 0 HH TYR A 27 20.058 -5.753 4.825 1.00 2.10 H new ATOM 451 N MET A 28 18.722 0.666 0.168 1.00 1.61 N ATOM 452 CA MET A 28 19.106 2.009 -0.224 1.00 1.59 C ATOM 453 C MET A 28 20.318 1.986 -1.154 1.00 1.78 C ATOM 454 O MET A 28 20.601 2.962 -1.845 1.00 2.05 O ATOM 455 CB MET A 28 19.392 2.845 1.025 1.00 1.51 C ATOM 456 CG MET A 28 18.164 3.538 1.588 1.00 1.36 C ATOM 457 SD MET A 28 17.538 4.841 0.505 1.00 1.30 S ATOM 458 CE MET A 28 18.832 6.072 0.668 1.00 1.81 C ATOM 0 H MET A 28 18.866 0.465 1.158 1.00 1.61 H new ATOM 0 HA MET A 28 18.282 2.463 -0.774 1.00 1.59 H new ATOM 0 HB2 MET A 28 19.819 2.200 1.793 1.00 1.51 H new ATOM 0 HB3 MET A 28 20.144 3.596 0.785 1.00 1.51 H new ATOM 0 HG2 MET A 28 17.379 2.800 1.752 1.00 1.36 H new ATOM 0 HG3 MET A 28 18.408 3.966 2.560 1.00 1.36 H new ATOM 0 HE1 MET A 28 18.448 7.046 0.366 1.00 1.81 H new ATOM 0 HE2 MET A 28 19.162 6.118 1.706 1.00 1.81 H new ATOM 0 HE3 MET A 28 19.674 5.801 0.031 1.00 1.81 H new ATOM 468 N GLY A 29 21.034 0.865 -1.161 1.00 2.07 N ATOM 469 CA GLY A 29 22.191 0.720 -2.027 1.00 2.24 C ATOM 470 C GLY A 29 23.457 1.312 -1.442 1.00 2.33 C ATOM 471 O GLY A 29 24.473 0.624 -1.329 1.00 2.77 O ATOM 0 H GLY A 29 20.832 0.051 -0.580 1.00 2.07 H new ATOM 0 HA2 GLY A 29 22.354 -0.339 -2.230 1.00 2.24 H new ATOM 0 HA3 GLY A 29 21.982 1.200 -2.983 1.00 2.24 H new ATOM 475 N ASP A 30 23.395 2.578 -1.051 1.00 2.11 N ATOM 476 CA ASP A 30 24.551 3.274 -0.486 1.00 2.18 C ATOM 477 C ASP A 30 24.674 3.024 1.013 1.00 2.10 C ATOM 478 O ASP A 30 25.428 3.705 1.706 1.00 2.12 O ATOM 479 CB ASP A 30 24.439 4.780 -0.741 1.00 2.25 C ATOM 480 CG ASP A 30 23.339 5.427 0.079 1.00 2.35 C ATOM 481 OD1 ASP A 30 22.152 5.165 -0.199 1.00 2.62 O ATOM 482 OD2 ASP A 30 23.653 6.208 1.005 1.00 2.52 O ATOM 0 H ASP A 30 22.553 3.150 -1.114 1.00 2.11 H new ATOM 0 HA ASP A 30 25.442 2.883 -0.976 1.00 2.18 H new ATOM 0 HB2 ASP A 30 25.391 5.257 -0.507 1.00 2.25 H new ATOM 0 HB3 ASP A 30 24.248 4.953 -1.800 1.00 2.25 H new ATOM 487 N SER A 31 23.948 2.034 1.504 1.00 2.12 N ATOM 488 CA SER A 31 23.964 1.719 2.920 1.00 2.11 C ATOM 489 C SER A 31 23.404 0.323 3.171 1.00 2.07 C ATOM 490 O SER A 31 22.988 -0.366 2.237 1.00 2.11 O ATOM 491 CB SER A 31 23.151 2.773 3.677 1.00 2.11 C ATOM 492 OG SER A 31 23.166 2.549 5.075 1.00 2.61 O ATOM 0 H SER A 31 23.341 1.436 0.943 1.00 2.12 H new ATOM 0 HA SER A 31 24.993 1.730 3.279 1.00 2.11 H new ATOM 0 HB2 SER A 31 23.553 3.763 3.464 1.00 2.11 H new ATOM 0 HB3 SER A 31 22.122 2.763 3.319 1.00 2.11 H new ATOM 0 HG SER A 31 24.091 2.437 5.378 1.00 2.61 H new ATOM 498 N ASP A 32 23.390 -0.073 4.437 1.00 2.01 N ATOM 499 CA ASP A 32 22.886 -1.376 4.844 1.00 2.00 C ATOM 500 C ASP A 32 21.413 -1.249 5.160 1.00 1.83 C ATOM 501 O ASP A 32 20.687 -2.230 5.283 1.00 1.80 O ATOM 502 CB ASP A 32 23.641 -1.879 6.075 1.00 2.09 C ATOM 503 CG ASP A 32 23.282 -3.309 6.437 1.00 2.37 C ATOM 504 OD1 ASP A 32 23.594 -4.226 5.646 1.00 2.90 O ATOM 505 OD2 ASP A 32 22.695 -3.526 7.519 1.00 2.49 O ATOM 0 H ASP A 32 23.728 0.501 5.210 1.00 2.01 H new ATOM 0 HA ASP A 32 23.034 -2.092 4.036 1.00 2.00 H new ATOM 0 HB2 ASP A 32 24.713 -1.813 5.891 1.00 2.09 H new ATOM 0 HB3 ASP A 32 23.422 -1.228 6.922 1.00 2.09 H new ATOM 510 N VAL A 33 20.987 -0.007 5.299 1.00 1.75 N ATOM 511 CA VAL A 33 19.603 0.298 5.587 1.00 1.62 C ATOM 512 C VAL A 33 18.727 0.021 4.372 1.00 1.57 C ATOM 513 O VAL A 33 19.154 0.165 3.220 1.00 1.61 O ATOM 514 CB VAL A 33 19.429 1.763 6.040 1.00 1.54 C ATOM 515 CG1 VAL A 33 19.953 2.725 4.991 1.00 1.56 C ATOM 516 CG2 VAL A 33 17.982 2.076 6.350 1.00 1.44 C ATOM 0 H VAL A 33 21.589 0.812 5.216 1.00 1.75 H new ATOM 0 HA VAL A 33 19.290 -0.350 6.406 1.00 1.62 H new ATOM 0 HB VAL A 33 20.012 1.889 6.952 1.00 1.54 H new ATOM 0 HG11 VAL A 33 19.817 3.750 5.337 1.00 1.56 H new ATOM 0 HG12 VAL A 33 21.013 2.536 4.822 1.00 1.56 H new ATOM 0 HG13 VAL A 33 19.405 2.581 4.060 1.00 1.56 H new ATOM 0 HG21 VAL A 33 17.894 3.115 6.666 1.00 1.44 H new ATOM 0 HG22 VAL A 33 17.376 1.915 5.458 1.00 1.44 H new ATOM 0 HG23 VAL A 33 17.632 1.423 7.149 1.00 1.44 H new ATOM 526 N TYR A 34 17.508 -0.385 4.641 1.00 1.52 N ATOM 527 CA TYR A 34 16.560 -0.687 3.589 1.00 1.49 C ATOM 528 C TYR A 34 15.490 0.373 3.524 1.00 1.43 C ATOM 529 O TYR A 34 15.385 1.236 4.396 1.00 1.43 O ATOM 530 CB TYR A 34 15.911 -2.061 3.782 1.00 1.49 C ATOM 531 CG TYR A 34 15.042 -2.183 5.017 1.00 1.45 C ATOM 532 CD1 TYR A 34 13.685 -1.885 4.970 1.00 1.37 C ATOM 533 CD2 TYR A 34 15.572 -2.613 6.226 1.00 1.52 C ATOM 534 CE1 TYR A 34 12.887 -2.010 6.089 1.00 1.37 C ATOM 535 CE2 TYR A 34 14.775 -2.748 7.347 1.00 1.53 C ATOM 536 CZ TYR A 34 13.436 -2.443 7.271 1.00 1.45 C ATOM 537 OH TYR A 34 12.631 -2.596 8.375 1.00 1.50 O ATOM 0 H TYR A 34 17.146 -0.515 5.586 1.00 1.52 H new ATOM 0 HA TYR A 34 17.115 -0.704 2.651 1.00 1.49 H new ATOM 0 HB2 TYR A 34 15.306 -2.288 2.905 1.00 1.49 H new ATOM 0 HB3 TYR A 34 16.697 -2.815 3.831 1.00 1.49 H new ATOM 0 HD1 TYR A 34 13.247 -1.550 4.041 1.00 1.37 H new ATOM 0 HD2 TYR A 34 16.625 -2.846 6.292 1.00 1.52 H new ATOM 0 HE1 TYR A 34 11.836 -1.768 6.035 1.00 1.37 H new ATOM 0 HE2 TYR A 34 15.201 -3.091 8.278 1.00 1.53 H new ATOM 0 HH TYR A 34 13.169 -2.910 9.131 1.00 1.50 H new ATOM 547 N THR A 35 14.710 0.286 2.484 1.00 1.42 N ATOM 548 CA THR A 35 13.621 1.199 2.242 1.00 1.38 C ATOM 549 C THR A 35 12.359 0.391 1.981 1.00 1.30 C ATOM 550 O THR A 35 12.170 -0.146 0.889 1.00 1.33 O ATOM 551 CB THR A 35 13.933 2.108 1.040 1.00 1.47 C ATOM 552 OG1 THR A 35 15.350 2.148 0.826 1.00 1.65 O ATOM 553 CG2 THR A 35 13.413 3.516 1.275 1.00 1.43 C ATOM 0 H THR A 35 14.812 -0.432 1.767 1.00 1.42 H new ATOM 0 HA THR A 35 13.478 1.837 3.114 1.00 1.38 H new ATOM 0 HB THR A 35 13.437 1.700 0.159 1.00 1.47 H new ATOM 0 HG1 THR A 35 15.645 1.300 0.433 1.00 1.65 H new ATOM 0 HG21 THR A 35 13.646 4.139 0.411 1.00 1.43 H new ATOM 0 HG22 THR A 35 12.333 3.486 1.420 1.00 1.43 H new ATOM 0 HG23 THR A 35 13.886 3.935 2.163 1.00 1.43 H new ATOM 561 N VAL A 36 11.529 0.255 3.002 1.00 1.22 N ATOM 562 CA VAL A 36 10.303 -0.515 2.877 1.00 1.15 C ATOM 563 C VAL A 36 9.180 0.332 2.300 1.00 1.08 C ATOM 564 O VAL A 36 8.851 1.404 2.815 1.00 1.07 O ATOM 565 CB VAL A 36 9.870 -1.144 4.226 1.00 1.11 C ATOM 566 CG1 VAL A 36 9.735 -0.090 5.315 1.00 1.09 C ATOM 567 CG2 VAL A 36 8.572 -1.928 4.070 1.00 1.04 C ATOM 0 H VAL A 36 11.681 0.666 3.923 1.00 1.22 H new ATOM 0 HA VAL A 36 10.512 -1.331 2.186 1.00 1.15 H new ATOM 0 HB VAL A 36 10.654 -1.837 4.531 1.00 1.11 H new ATOM 0 HG11 VAL A 36 9.430 -0.566 6.247 1.00 1.09 H new ATOM 0 HG12 VAL A 36 10.693 0.409 5.459 1.00 1.09 H new ATOM 0 HG13 VAL A 36 8.985 0.644 5.020 1.00 1.09 H new ATOM 0 HG21 VAL A 36 8.290 -2.359 5.030 1.00 1.04 H new ATOM 0 HG22 VAL A 36 7.782 -1.260 3.726 1.00 1.04 H new ATOM 0 HG23 VAL A 36 8.714 -2.726 3.342 1.00 1.04 H new ATOM 577 N HIS A 37 8.625 -0.142 1.202 1.00 1.06 N ATOM 578 CA HIS A 37 7.534 0.537 0.541 1.00 1.01 C ATOM 579 C HIS A 37 6.284 -0.323 0.604 1.00 0.93 C ATOM 580 O HIS A 37 6.361 -1.554 0.570 1.00 0.97 O ATOM 581 CB HIS A 37 7.881 0.827 -0.918 1.00 1.10 C ATOM 582 CG HIS A 37 8.990 1.821 -1.107 1.00 1.18 C ATOM 583 ND1 HIS A 37 8.743 3.173 -1.180 1.00 1.25 N ATOM 584 CD2 HIS A 37 10.323 1.610 -1.241 1.00 1.26 C ATOM 585 CE1 HIS A 37 9.923 3.748 -1.355 1.00 1.33 C ATOM 586 NE2 HIS A 37 10.907 2.841 -1.399 1.00 1.34 N ATOM 0 H HIS A 37 8.918 -1.006 0.746 1.00 1.06 H new ATOM 0 HA HIS A 37 7.356 1.484 1.051 1.00 1.01 H new ATOM 0 HB2 HIS A 37 8.160 -0.107 -1.405 1.00 1.10 H new ATOM 0 HB3 HIS A 37 6.989 1.196 -1.424 1.00 1.10 H new ATOM 0 HD2 HIS A 37 10.828 0.655 -1.226 1.00 1.26 H new ATOM 0 HE1 HIS A 37 10.073 4.813 -1.450 1.00 1.33 H new ATOM 0 HE2 HIS A 37 11.901 3.030 -1.526 1.00 1.34 H new ATOM 594 N HIS A 38 5.144 0.323 0.691 1.00 0.82 N ATOM 595 CA HIS A 38 3.875 -0.379 0.757 1.00 0.74 C ATOM 596 C HIS A 38 3.213 -0.319 -0.606 1.00 0.78 C ATOM 597 O HIS A 38 2.565 0.669 -0.962 1.00 0.77 O ATOM 598 CB HIS A 38 2.978 0.227 1.843 1.00 0.62 C ATOM 599 CG HIS A 38 3.614 0.214 3.203 1.00 0.59 C ATOM 600 ND1 HIS A 38 3.719 -0.945 3.936 1.00 0.60 N ATOM 601 CD2 HIS A 38 4.189 1.227 3.897 1.00 0.59 C ATOM 602 CE1 HIS A 38 4.354 -0.613 5.047 1.00 0.61 C ATOM 603 NE2 HIS A 38 4.658 0.690 5.069 1.00 0.60 N ATOM 0 H HIS A 38 5.066 1.340 0.718 1.00 0.82 H new ATOM 0 HA HIS A 38 4.042 -1.422 1.025 1.00 0.74 H new ATOM 0 HB2 HIS A 38 2.732 1.254 1.573 1.00 0.62 H new ATOM 0 HB3 HIS A 38 2.039 -0.326 1.882 1.00 0.62 H new ATOM 0 HD2 HIS A 38 4.263 2.259 3.587 1.00 0.59 H new ATOM 0 HE1 HIS A 38 4.597 -1.307 5.838 1.00 0.61 H new ATOM 0 HE2 HIS A 38 5.145 1.188 5.814 1.00 0.60 H new ATOM 611 N MET A 39 3.410 -1.371 -1.379 1.00 0.84 N ATOM 612 CA MET A 39 2.871 -1.435 -2.721 1.00 0.91 C ATOM 613 C MET A 39 1.822 -2.524 -2.859 1.00 0.88 C ATOM 614 O MET A 39 1.980 -3.635 -2.350 1.00 0.87 O ATOM 615 CB MET A 39 4.005 -1.673 -3.729 1.00 1.05 C ATOM 616 CG MET A 39 3.527 -2.157 -5.093 1.00 1.11 C ATOM 617 SD MET A 39 3.935 -3.885 -5.402 1.00 1.16 S ATOM 618 CE MET A 39 5.520 -3.710 -6.212 1.00 1.33 C ATOM 0 H MET A 39 3.942 -2.195 -1.097 1.00 0.84 H new ATOM 0 HA MET A 39 2.387 -0.481 -2.928 1.00 0.91 H new ATOM 0 HB2 MET A 39 4.563 -0.746 -3.859 1.00 1.05 H new ATOM 0 HB3 MET A 39 4.697 -2.407 -3.316 1.00 1.05 H new ATOM 0 HG2 MET A 39 2.447 -2.025 -5.162 1.00 1.11 H new ATOM 0 HG3 MET A 39 3.974 -1.538 -5.871 1.00 1.11 H new ATOM 0 HE1 MET A 39 6.115 -4.608 -6.045 1.00 1.33 H new ATOM 0 HE2 MET A 39 5.368 -3.569 -7.282 1.00 1.33 H new ATOM 0 HE3 MET A 39 6.044 -2.846 -5.803 1.00 1.33 H new ATOM 628 N VAL A 40 0.732 -2.176 -3.523 1.00 0.87 N ATOM 629 CA VAL A 40 -0.327 -3.125 -3.793 1.00 0.87 C ATOM 630 C VAL A 40 0.168 -4.069 -4.885 1.00 1.00 C ATOM 631 O VAL A 40 0.541 -3.631 -5.970 1.00 1.10 O ATOM 632 CB VAL A 40 -1.632 -2.407 -4.213 1.00 0.87 C ATOM 633 CG1 VAL A 40 -1.321 -1.115 -4.949 1.00 0.94 C ATOM 634 CG2 VAL A 40 -2.517 -3.310 -5.060 1.00 0.93 C ATOM 0 H VAL A 40 0.560 -1.238 -3.885 1.00 0.87 H new ATOM 0 HA VAL A 40 -0.567 -3.689 -2.892 1.00 0.87 H new ATOM 0 HB VAL A 40 -2.183 -2.163 -3.305 1.00 0.87 H new ATOM 0 HG11 VAL A 40 -2.252 -0.626 -5.235 1.00 0.94 H new ATOM 0 HG12 VAL A 40 -0.749 -0.454 -4.298 1.00 0.94 H new ATOM 0 HG13 VAL A 40 -0.738 -1.337 -5.843 1.00 0.94 H new ATOM 0 HG21 VAL A 40 -3.425 -2.774 -5.337 1.00 0.93 H new ATOM 0 HG22 VAL A 40 -1.980 -3.604 -5.962 1.00 0.93 H new ATOM 0 HG23 VAL A 40 -2.781 -4.200 -4.489 1.00 0.93 H new ATOM 644 N TRP A 41 0.189 -5.350 -4.581 1.00 1.00 N ATOM 645 CA TRP A 41 0.706 -6.352 -5.504 1.00 1.13 C ATOM 646 C TRP A 41 -0.360 -6.922 -6.418 1.00 1.19 C ATOM 647 O TRP A 41 -0.079 -7.248 -7.568 1.00 1.30 O ATOM 648 CB TRP A 41 1.354 -7.474 -4.698 1.00 1.14 C ATOM 649 CG TRP A 41 1.905 -8.592 -5.526 1.00 1.32 C ATOM 650 CD1 TRP A 41 1.339 -9.816 -5.735 1.00 1.39 C ATOM 651 CD2 TRP A 41 3.138 -8.588 -6.243 1.00 1.46 C ATOM 652 NE1 TRP A 41 2.147 -10.572 -6.549 1.00 1.56 N ATOM 653 CE2 TRP A 41 3.258 -9.839 -6.875 1.00 1.61 C ATOM 654 CE3 TRP A 41 4.150 -7.642 -6.415 1.00 1.50 C ATOM 655 CZ2 TRP A 41 4.353 -10.168 -7.668 1.00 1.78 C ATOM 656 CZ3 TRP A 41 5.237 -7.970 -7.200 1.00 1.69 C ATOM 657 CH2 TRP A 41 5.330 -9.221 -7.818 1.00 1.82 C ATOM 0 H TRP A 41 -0.148 -5.729 -3.696 1.00 1.00 H new ATOM 0 HA TRP A 41 1.437 -5.863 -6.148 1.00 1.13 H new ATOM 0 HB2 TRP A 41 2.159 -7.054 -4.095 1.00 1.14 H new ATOM 0 HB3 TRP A 41 0.616 -7.880 -4.006 1.00 1.14 H new ATOM 0 HD1 TRP A 41 0.396 -10.142 -5.322 1.00 1.39 H new ATOM 0 HE1 TRP A 41 1.952 -11.524 -6.860 1.00 1.56 H new ATOM 0 HE3 TRP A 41 4.084 -6.673 -5.943 1.00 1.50 H new ATOM 0 HZ2 TRP A 41 4.429 -11.133 -8.147 1.00 1.78 H new ATOM 0 HZ3 TRP A 41 6.029 -7.249 -7.339 1.00 1.69 H new ATOM 0 HH2 TRP A 41 6.193 -9.445 -8.428 1.00 1.82 H new ATOM 668 N HIS A 42 -1.572 -7.057 -5.921 1.00 1.12 N ATOM 669 CA HIS A 42 -2.638 -7.606 -6.737 1.00 1.19 C ATOM 670 C HIS A 42 -3.967 -6.978 -6.385 1.00 1.12 C ATOM 671 O HIS A 42 -4.203 -6.595 -5.242 1.00 1.01 O ATOM 672 CB HIS A 42 -2.718 -9.132 -6.573 1.00 1.23 C ATOM 673 CG HIS A 42 -3.672 -9.794 -7.529 1.00 1.31 C ATOM 674 ND1 HIS A 42 -4.998 -9.987 -7.208 1.00 1.33 N ATOM 675 CD2 HIS A 42 -3.446 -10.274 -8.775 1.00 1.40 C ATOM 676 CE1 HIS A 42 -5.544 -10.573 -8.264 1.00 1.42 C ATOM 677 NE2 HIS A 42 -4.643 -10.764 -9.231 1.00 1.46 N ATOM 0 H HIS A 42 -1.842 -6.799 -4.972 1.00 1.12 H new ATOM 0 HA HIS A 42 -2.411 -7.376 -7.778 1.00 1.19 H new ATOM 0 HB2 HIS A 42 -1.724 -9.556 -6.714 1.00 1.23 H new ATOM 0 HB3 HIS A 42 -3.022 -9.363 -5.552 1.00 1.23 H new ATOM 0 HD2 HIS A 42 -2.506 -10.271 -9.306 1.00 1.40 H new ATOM 0 HE1 HIS A 42 -6.583 -10.859 -8.333 1.00 1.42 H new ATOM 0 HE2 HIS A 42 -4.813 -11.194 -10.140 1.00 1.46 H new ATOM 685 N VAL A 43 -4.811 -6.855 -7.393 1.00 1.20 N ATOM 686 CA VAL A 43 -6.137 -6.300 -7.240 1.00 1.18 C ATOM 687 C VAL A 43 -7.136 -7.246 -7.892 1.00 1.24 C ATOM 688 O VAL A 43 -7.101 -7.448 -9.109 1.00 1.37 O ATOM 689 CB VAL A 43 -6.250 -4.901 -7.885 1.00 1.21 C ATOM 690 CG1 VAL A 43 -7.658 -4.358 -7.739 1.00 1.20 C ATOM 691 CG2 VAL A 43 -5.247 -3.932 -7.275 1.00 1.14 C ATOM 0 H VAL A 43 -4.591 -7.141 -8.347 1.00 1.20 H new ATOM 0 HA VAL A 43 -6.347 -6.189 -6.176 1.00 1.18 H new ATOM 0 HB VAL A 43 -6.022 -5.004 -8.946 1.00 1.21 H new ATOM 0 HG11 VAL A 43 -7.717 -3.372 -8.200 1.00 1.20 H new ATOM 0 HG12 VAL A 43 -8.360 -5.031 -8.231 1.00 1.20 H new ATOM 0 HG13 VAL A 43 -7.910 -4.280 -6.681 1.00 1.20 H new ATOM 0 HG21 VAL A 43 -5.350 -2.956 -7.749 1.00 1.14 H new ATOM 0 HG22 VAL A 43 -5.436 -3.838 -6.206 1.00 1.14 H new ATOM 0 HG23 VAL A 43 -4.236 -4.307 -7.433 1.00 1.14 H new ATOM 701 N GLU A 44 -7.995 -7.847 -7.073 1.00 1.17 N ATOM 702 CA GLU A 44 -8.995 -8.782 -7.537 1.00 1.23 C ATOM 703 C GLU A 44 -9.818 -8.203 -8.686 1.00 1.34 C ATOM 704 O GLU A 44 -10.334 -7.084 -8.597 1.00 1.35 O ATOM 705 CB GLU A 44 -9.906 -9.140 -6.372 1.00 1.16 C ATOM 706 CG GLU A 44 -9.265 -10.045 -5.333 1.00 1.11 C ATOM 707 CD GLU A 44 -8.964 -11.432 -5.859 1.00 1.19 C ATOM 708 OE1 GLU A 44 -9.882 -12.078 -6.406 1.00 1.17 O ATOM 709 OE2 GLU A 44 -7.814 -11.893 -5.710 1.00 1.54 O ATOM 0 H GLU A 44 -8.010 -7.693 -6.065 1.00 1.17 H new ATOM 0 HA GLU A 44 -8.493 -9.673 -7.914 1.00 1.23 H new ATOM 0 HB2 GLU A 44 -10.232 -8.221 -5.885 1.00 1.16 H new ATOM 0 HB3 GLU A 44 -10.799 -9.629 -6.761 1.00 1.16 H new ATOM 0 HG2 GLU A 44 -8.340 -9.587 -4.982 1.00 1.11 H new ATOM 0 HG3 GLU A 44 -9.928 -10.125 -4.471 1.00 1.11 H new ATOM 716 N ASP A 45 -9.933 -8.975 -9.758 1.00 1.44 N ATOM 717 CA ASP A 45 -10.686 -8.561 -10.934 1.00 1.55 C ATOM 718 C ASP A 45 -12.155 -8.398 -10.581 1.00 1.55 C ATOM 719 O ASP A 45 -12.832 -9.363 -10.220 1.00 1.60 O ATOM 720 CB ASP A 45 -10.528 -9.578 -12.065 1.00 1.69 C ATOM 721 CG ASP A 45 -9.166 -9.512 -12.725 1.00 1.81 C ATOM 722 OD1 ASP A 45 -8.863 -8.490 -13.375 1.00 1.94 O ATOM 723 OD2 ASP A 45 -8.395 -10.484 -12.600 1.00 1.92 O ATOM 0 H ASP A 45 -9.510 -9.900 -9.837 1.00 1.44 H new ATOM 0 HA ASP A 45 -10.292 -7.604 -11.275 1.00 1.55 H new ATOM 0 HB2 ASP A 45 -10.688 -10.582 -11.671 1.00 1.69 H new ATOM 0 HB3 ASP A 45 -11.299 -9.404 -12.815 1.00 1.69 H new ATOM 728 N GLY A 46 -12.639 -7.172 -10.678 1.00 1.54 N ATOM 729 CA GLY A 46 -14.019 -6.889 -10.345 1.00 1.56 C ATOM 730 C GLY A 46 -14.186 -6.632 -8.863 1.00 1.46 C ATOM 731 O GLY A 46 -15.307 -6.553 -8.352 1.00 1.49 O ATOM 0 H GLY A 46 -12.098 -6.363 -10.983 1.00 1.54 H new ATOM 0 HA2 GLY A 46 -14.360 -6.020 -10.908 1.00 1.56 H new ATOM 0 HA3 GLY A 46 -14.647 -7.729 -10.644 1.00 1.56 H new ATOM 735 N GLY A 47 -13.062 -6.513 -8.168 1.00 1.37 N ATOM 736 CA GLY A 47 -13.082 -6.267 -6.744 1.00 1.28 C ATOM 737 C GLY A 47 -13.301 -4.804 -6.431 1.00 1.27 C ATOM 738 O GLY A 47 -13.226 -3.961 -7.325 1.00 1.33 O ATOM 0 H GLY A 47 -12.129 -6.584 -8.573 1.00 1.37 H new ATOM 0 HA2 GLY A 47 -13.872 -6.860 -6.284 1.00 1.28 H new ATOM 0 HA3 GLY A 47 -12.140 -6.596 -6.305 1.00 1.28 H new ATOM 742 N PRO A 48 -13.529 -4.467 -5.156 1.00 1.20 N ATOM 743 CA PRO A 48 -13.778 -3.092 -4.713 1.00 1.20 C ATOM 744 C PRO A 48 -12.645 -2.172 -5.088 1.00 1.16 C ATOM 745 O PRO A 48 -12.849 -1.099 -5.651 1.00 1.21 O ATOM 746 CB PRO A 48 -13.839 -3.241 -3.196 1.00 1.13 C ATOM 747 CG PRO A 48 -14.265 -4.626 -2.987 1.00 1.13 C ATOM 748 CD PRO A 48 -13.524 -5.395 -4.019 1.00 1.13 C ATOM 0 HA PRO A 48 -14.672 -2.661 -5.163 1.00 1.20 H new ATOM 0 HB2 PRO A 48 -12.869 -3.050 -2.738 1.00 1.13 H new ATOM 0 HB3 PRO A 48 -14.544 -2.537 -2.755 1.00 1.13 H new ATOM 0 HG2 PRO A 48 -14.021 -4.970 -1.982 1.00 1.13 H new ATOM 0 HG3 PRO A 48 -15.343 -4.734 -3.108 1.00 1.13 H new ATOM 0 HD2 PRO A 48 -12.512 -5.639 -3.697 1.00 1.13 H new ATOM 0 HD3 PRO A 48 -14.018 -6.336 -4.259 1.00 1.13 H new ATOM 756 N ALA A 49 -11.448 -2.612 -4.769 1.00 1.09 N ATOM 757 CA ALA A 49 -10.248 -1.838 -5.063 1.00 1.06 C ATOM 758 C ALA A 49 -10.094 -1.603 -6.556 1.00 1.16 C ATOM 759 O ALA A 49 -9.672 -0.528 -6.980 1.00 1.19 O ATOM 760 CB ALA A 49 -9.012 -2.519 -4.500 1.00 0.97 C ATOM 0 H ALA A 49 -11.273 -3.503 -4.305 1.00 1.09 H new ATOM 0 HA ALA A 49 -10.356 -0.867 -4.580 1.00 1.06 H new ATOM 0 HB1 ALA A 49 -8.130 -1.922 -4.732 1.00 0.97 H new ATOM 0 HB2 ALA A 49 -9.110 -2.615 -3.419 1.00 0.97 H new ATOM 0 HB3 ALA A 49 -8.908 -3.509 -4.944 1.00 0.97 H new ATOM 766 N SER A 50 -10.452 -2.600 -7.348 1.00 1.23 N ATOM 767 CA SER A 50 -10.367 -2.491 -8.793 1.00 1.34 C ATOM 768 C SER A 50 -11.352 -1.442 -9.275 1.00 1.40 C ATOM 769 O SER A 50 -11.078 -0.674 -10.197 1.00 1.46 O ATOM 770 CB SER A 50 -10.693 -3.834 -9.438 1.00 1.41 C ATOM 771 OG SER A 50 -9.956 -4.027 -10.631 1.00 1.45 O ATOM 0 H SER A 50 -10.805 -3.496 -7.012 1.00 1.23 H new ATOM 0 HA SER A 50 -9.354 -2.200 -9.073 1.00 1.34 H new ATOM 0 HB2 SER A 50 -10.471 -4.639 -8.737 1.00 1.41 H new ATOM 0 HB3 SER A 50 -11.760 -3.885 -9.655 1.00 1.41 H new ATOM 0 HG SER A 50 -10.185 -4.897 -11.020 1.00 1.45 H new ATOM 777 N GLU A 51 -12.493 -1.406 -8.611 1.00 1.39 N ATOM 778 CA GLU A 51 -13.547 -0.460 -8.943 1.00 1.46 C ATOM 779 C GLU A 51 -13.158 0.940 -8.508 1.00 1.45 C ATOM 780 O GLU A 51 -13.584 1.933 -9.096 1.00 1.55 O ATOM 781 CB GLU A 51 -14.854 -0.861 -8.266 1.00 1.47 C ATOM 782 CG GLU A 51 -15.344 -2.242 -8.656 1.00 1.50 C ATOM 783 CD GLU A 51 -16.811 -2.443 -8.354 1.00 1.58 C ATOM 784 OE1 GLU A 51 -17.138 -2.851 -7.221 1.00 1.55 O ATOM 785 OE2 GLU A 51 -17.645 -2.192 -9.249 1.00 1.84 O ATOM 0 H GLU A 51 -12.716 -2.026 -7.832 1.00 1.39 H new ATOM 0 HA GLU A 51 -13.687 -0.471 -10.024 1.00 1.46 H new ATOM 0 HB2 GLU A 51 -14.719 -0.825 -7.185 1.00 1.47 H new ATOM 0 HB3 GLU A 51 -15.622 -0.129 -8.516 1.00 1.47 H new ATOM 0 HG2 GLU A 51 -15.171 -2.398 -9.721 1.00 1.50 H new ATOM 0 HG3 GLU A 51 -14.761 -2.994 -8.125 1.00 1.50 H new ATOM 792 N ALA A 52 -12.351 1.003 -7.468 1.00 1.33 N ATOM 793 CA ALA A 52 -11.885 2.263 -6.931 1.00 1.31 C ATOM 794 C ALA A 52 -10.772 2.838 -7.792 1.00 1.34 C ATOM 795 O ALA A 52 -10.524 4.042 -7.780 1.00 1.36 O ATOM 796 CB ALA A 52 -11.421 2.066 -5.504 1.00 1.20 C ATOM 0 H ALA A 52 -12.001 0.183 -6.973 1.00 1.33 H new ATOM 0 HA ALA A 52 -12.708 2.978 -6.937 1.00 1.31 H new ATOM 0 HB1 ALA A 52 -11.070 3.016 -5.101 1.00 1.20 H new ATOM 0 HB2 ALA A 52 -12.250 1.699 -4.899 1.00 1.20 H new ATOM 0 HB3 ALA A 52 -10.608 1.341 -5.483 1.00 1.20 H new ATOM 802 N GLY A 53 -10.106 1.964 -8.537 1.00 1.35 N ATOM 803 CA GLY A 53 -9.040 2.396 -9.409 1.00 1.39 C ATOM 804 C GLY A 53 -7.659 2.001 -8.928 1.00 1.31 C ATOM 805 O GLY A 53 -6.659 2.451 -9.490 1.00 1.33 O ATOM 0 H GLY A 53 -10.289 0.961 -8.550 1.00 1.35 H new ATOM 0 HA2 GLY A 53 -9.203 1.976 -10.402 1.00 1.39 H new ATOM 0 HA3 GLY A 53 -9.083 3.480 -9.510 1.00 1.39 H new ATOM 809 N LEU A 54 -7.587 1.183 -7.888 1.00 1.22 N ATOM 810 CA LEU A 54 -6.304 0.746 -7.365 1.00 1.14 C ATOM 811 C LEU A 54 -5.601 -0.133 -8.383 1.00 1.21 C ATOM 812 O LEU A 54 -6.194 -1.050 -8.951 1.00 1.26 O ATOM 813 CB LEU A 54 -6.486 -0.019 -6.057 1.00 1.04 C ATOM 814 CG LEU A 54 -5.580 0.413 -4.896 1.00 0.94 C ATOM 815 CD1 LEU A 54 -5.421 -0.712 -3.889 1.00 0.85 C ATOM 816 CD2 LEU A 54 -4.223 0.859 -5.401 1.00 0.96 C ATOM 0 H LEU A 54 -8.398 0.811 -7.393 1.00 1.22 H new ATOM 0 HA LEU A 54 -5.694 1.628 -7.168 1.00 1.14 H new ATOM 0 HB2 LEU A 54 -7.524 0.084 -5.740 1.00 1.04 H new ATOM 0 HB3 LEU A 54 -6.315 -1.078 -6.251 1.00 1.04 H new ATOM 0 HG LEU A 54 -6.056 1.259 -4.400 1.00 0.94 H new ATOM 0 HD11 LEU A 54 -4.775 -0.383 -3.075 1.00 0.85 H new ATOM 0 HD12 LEU A 54 -6.398 -0.984 -3.490 1.00 0.85 H new ATOM 0 HD13 LEU A 54 -4.976 -1.578 -4.378 1.00 0.85 H new ATOM 0 HD21 LEU A 54 -3.602 1.160 -4.557 1.00 0.96 H new ATOM 0 HD22 LEU A 54 -3.743 0.036 -5.930 1.00 0.96 H new ATOM 0 HD23 LEU A 54 -4.347 1.703 -6.079 1.00 0.96 H new ATOM 828 N ARG A 55 -4.344 0.170 -8.613 1.00 1.21 N ATOM 829 CA ARG A 55 -3.537 -0.573 -9.561 1.00 1.28 C ATOM 830 C ARG A 55 -2.381 -1.240 -8.845 1.00 1.23 C ATOM 831 O ARG A 55 -1.825 -0.684 -7.900 1.00 1.18 O ATOM 832 CB ARG A 55 -3.021 0.365 -10.648 1.00 1.36 C ATOM 833 CG ARG A 55 -4.130 1.164 -11.308 1.00 1.41 C ATOM 834 CD ARG A 55 -4.812 0.362 -12.404 1.00 1.51 C ATOM 835 NE ARG A 55 -6.250 0.624 -12.463 1.00 1.57 N ATOM 836 CZ ARG A 55 -7.189 -0.321 -12.359 1.00 1.58 C ATOM 837 NH1 ARG A 55 -6.847 -1.593 -12.171 1.00 1.55 N ATOM 838 NH2 ARG A 55 -8.474 0.007 -12.441 1.00 1.68 N ATOM 0 H ARG A 55 -3.851 0.935 -8.152 1.00 1.21 H new ATOM 0 HA ARG A 55 -4.149 -1.345 -10.027 1.00 1.28 H new ATOM 0 HB2 ARG A 55 -2.293 1.051 -10.215 1.00 1.36 H new ATOM 0 HB3 ARG A 55 -2.498 -0.217 -11.406 1.00 1.36 H new ATOM 0 HG2 ARG A 55 -4.865 1.458 -10.559 1.00 1.41 H new ATOM 0 HG3 ARG A 55 -3.719 2.082 -11.728 1.00 1.41 H new ATOM 0 HD2 ARG A 55 -4.360 0.605 -13.366 1.00 1.51 H new ATOM 0 HD3 ARG A 55 -4.644 -0.701 -12.233 1.00 1.51 H new ATOM 0 HE ARG A 55 -6.555 1.589 -12.592 1.00 1.57 H new ATOM 0 HH11 ARG A 55 -5.863 -1.852 -12.105 1.00 1.55 H new ATOM 0 HH12 ARG A 55 -7.569 -2.309 -12.092 1.00 1.55 H new ATOM 0 HH21 ARG A 55 -8.744 0.980 -12.583 1.00 1.68 H new ATOM 0 HH22 ARG A 55 -9.191 -0.715 -12.362 1.00 1.68 H new ATOM 852 N GLN A 56 -2.015 -2.430 -9.288 1.00 1.29 N ATOM 853 CA GLN A 56 -0.924 -3.150 -8.653 1.00 1.27 C ATOM 854 C GLN A 56 0.411 -2.656 -9.188 1.00 1.33 C ATOM 855 O GLN A 56 0.567 -2.432 -10.389 1.00 1.41 O ATOM 856 CB GLN A 56 -1.029 -4.672 -8.836 1.00 1.34 C ATOM 857 CG GLN A 56 -2.354 -5.166 -9.383 1.00 1.40 C ATOM 858 CD GLN A 56 -2.303 -6.582 -9.917 1.00 1.53 C ATOM 859 OE1 GLN A 56 -3.273 -7.329 -9.810 1.00 1.56 O ATOM 860 NE2 GLN A 56 -1.188 -6.953 -10.519 1.00 1.78 N ATOM 0 H GLN A 56 -2.450 -2.913 -10.074 1.00 1.29 H new ATOM 0 HA GLN A 56 -0.993 -2.950 -7.584 1.00 1.27 H new ATOM 0 HB2 GLN A 56 -0.233 -4.997 -9.506 1.00 1.34 H new ATOM 0 HB3 GLN A 56 -0.850 -5.151 -7.873 1.00 1.34 H new ATOM 0 HG2 GLN A 56 -3.105 -5.111 -8.595 1.00 1.40 H new ATOM 0 HG3 GLN A 56 -2.679 -4.498 -10.181 1.00 1.40 H new ATOM 0 HE21 GLN A 56 -0.405 -6.303 -10.587 1.00 1.78 H new ATOM 0 HE22 GLN A 56 -1.110 -7.889 -10.916 1.00 1.78 H new ATOM 869 N GLY A 57 1.362 -2.479 -8.289 1.00 1.30 N ATOM 870 CA GLY A 57 2.673 -2.012 -8.677 1.00 1.37 C ATOM 871 C GLY A 57 2.854 -0.526 -8.446 1.00 1.33 C ATOM 872 O GLY A 57 3.871 0.040 -8.836 1.00 1.39 O ATOM 0 H GLY A 57 1.248 -2.652 -7.290 1.00 1.30 H new ATOM 0 HA2 GLY A 57 3.430 -2.558 -8.115 1.00 1.37 H new ATOM 0 HA3 GLY A 57 2.837 -2.235 -9.731 1.00 1.37 H new ATOM 876 N ASP A 58 1.859 0.117 -7.840 1.00 1.24 N ATOM 877 CA ASP A 58 1.947 1.547 -7.541 1.00 1.21 C ATOM 878 C ASP A 58 2.656 1.745 -6.216 1.00 1.13 C ATOM 879 O ASP A 58 3.350 0.856 -5.729 1.00 1.13 O ATOM 880 CB ASP A 58 0.563 2.198 -7.432 1.00 1.16 C ATOM 881 CG ASP A 58 -0.190 2.264 -8.753 1.00 1.26 C ATOM 882 OD1 ASP A 58 0.218 1.590 -9.720 1.00 1.43 O ATOM 883 OD2 ASP A 58 -1.187 3.014 -8.832 1.00 1.29 O ATOM 0 H ASP A 58 0.987 -0.324 -7.547 1.00 1.24 H new ATOM 0 HA ASP A 58 2.494 2.013 -8.360 1.00 1.21 H new ATOM 0 HB2 ASP A 58 -0.035 1.640 -6.711 1.00 1.16 H new ATOM 0 HB3 ASP A 58 0.677 3.208 -7.038 1.00 1.16 H new ATOM 888 N LEU A 59 2.464 2.906 -5.623 1.00 1.06 N ATOM 889 CA LEU A 59 3.055 3.207 -4.355 1.00 0.99 C ATOM 890 C LEU A 59 2.040 3.887 -3.470 1.00 0.89 C ATOM 891 O LEU A 59 1.600 5.000 -3.758 1.00 0.90 O ATOM 892 CB LEU A 59 4.276 4.115 -4.502 1.00 1.05 C ATOM 893 CG LEU A 59 5.620 3.405 -4.565 1.00 1.13 C ATOM 894 CD1 LEU A 59 6.746 4.421 -4.673 1.00 1.19 C ATOM 895 CD2 LEU A 59 5.820 2.518 -3.349 1.00 1.06 C ATOM 0 H LEU A 59 1.895 3.658 -6.012 1.00 1.06 H new ATOM 0 HA LEU A 59 3.379 2.267 -3.909 1.00 0.99 H new ATOM 0 HB2 LEU A 59 4.157 4.710 -5.407 1.00 1.05 H new ATOM 0 HB3 LEU A 59 4.292 4.811 -3.663 1.00 1.05 H new ATOM 0 HG LEU A 59 5.633 2.772 -5.452 1.00 1.13 H new ATOM 0 HD11 LEU A 59 7.703 3.901 -4.717 1.00 1.19 H new ATOM 0 HD12 LEU A 59 6.614 5.016 -5.577 1.00 1.19 H new ATOM 0 HD13 LEU A 59 6.730 5.076 -3.802 1.00 1.19 H new ATOM 0 HD21 LEU A 59 6.788 2.021 -3.416 1.00 1.06 H new ATOM 0 HD22 LEU A 59 5.787 3.127 -2.445 1.00 1.06 H new ATOM 0 HD23 LEU A 59 5.029 1.769 -3.311 1.00 1.06 H new ATOM 907 N ILE A 60 1.631 3.209 -2.425 1.00 0.80 N ATOM 908 CA ILE A 60 0.690 3.789 -1.499 1.00 0.71 C ATOM 909 C ILE A 60 1.446 4.711 -0.550 1.00 0.68 C ATOM 910 O ILE A 60 2.196 4.253 0.309 1.00 0.66 O ATOM 911 CB ILE A 60 -0.073 2.714 -0.698 1.00 0.62 C ATOM 912 CG1 ILE A 60 -0.876 1.814 -1.645 1.00 0.67 C ATOM 913 CG2 ILE A 60 -0.988 3.372 0.325 1.00 0.54 C ATOM 914 CD1 ILE A 60 -1.255 0.479 -1.043 1.00 0.63 C ATOM 0 H ILE A 60 1.932 2.262 -2.196 1.00 0.80 H new ATOM 0 HA ILE A 60 -0.053 4.350 -2.067 1.00 0.71 H new ATOM 0 HB ILE A 60 0.648 2.093 -0.166 1.00 0.62 H new ATOM 0 HG12 ILE A 60 -1.784 2.337 -1.946 1.00 0.67 H new ATOM 0 HG13 ILE A 60 -0.293 1.642 -2.549 1.00 0.67 H new ATOM 0 HG21 ILE A 60 -1.521 2.603 0.884 1.00 0.54 H new ATOM 0 HG22 ILE A 60 -0.393 3.973 1.012 1.00 0.54 H new ATOM 0 HG23 ILE A 60 -1.706 4.012 -0.188 1.00 0.54 H new ATOM 0 HD11 ILE A 60 -1.821 -0.101 -1.772 1.00 0.63 H new ATOM 0 HD12 ILE A 60 -0.352 -0.066 -0.768 1.00 0.63 H new ATOM 0 HD13 ILE A 60 -1.866 0.641 -0.155 1.00 0.63 H new ATOM 926 N THR A 61 1.268 6.009 -0.729 1.00 0.70 N ATOM 927 CA THR A 61 1.967 6.984 0.090 1.00 0.70 C ATOM 928 C THR A 61 1.149 7.392 1.317 1.00 0.61 C ATOM 929 O THR A 61 1.715 7.715 2.364 1.00 0.58 O ATOM 930 CB THR A 61 2.359 8.226 -0.747 1.00 0.80 C ATOM 931 OG1 THR A 61 2.928 9.243 0.089 1.00 0.79 O ATOM 932 CG2 THR A 61 1.158 8.785 -1.502 1.00 0.86 C ATOM 0 H THR A 61 0.648 6.411 -1.432 1.00 0.70 H new ATOM 0 HA THR A 61 2.879 6.509 0.452 1.00 0.70 H new ATOM 0 HB THR A 61 3.106 7.909 -1.475 1.00 0.80 H new ATOM 0 HG1 THR A 61 3.170 10.019 -0.459 1.00 0.79 H new ATOM 0 HG21 THR A 61 1.465 9.656 -2.080 1.00 0.86 H new ATOM 0 HG22 THR A 61 0.765 8.023 -2.175 1.00 0.86 H new ATOM 0 HG23 THR A 61 0.385 9.076 -0.791 1.00 0.86 H new ATOM 940 N HIS A 62 -0.173 7.369 1.203 1.00 0.60 N ATOM 941 CA HIS A 62 -1.028 7.738 2.328 1.00 0.57 C ATOM 942 C HIS A 62 -2.261 6.855 2.383 1.00 0.55 C ATOM 943 O HIS A 62 -2.801 6.453 1.352 1.00 0.59 O ATOM 944 CB HIS A 62 -1.494 9.204 2.262 1.00 0.66 C ATOM 945 CG HIS A 62 -0.399 10.221 2.132 1.00 0.75 C ATOM 946 ND1 HIS A 62 -0.048 10.750 0.914 1.00 0.81 N ATOM 947 CD2 HIS A 62 0.367 10.786 3.094 1.00 0.86 C ATOM 948 CE1 HIS A 62 0.916 11.621 1.157 1.00 0.91 C ATOM 949 NE2 HIS A 62 1.201 11.672 2.463 1.00 0.95 N ATOM 0 H HIS A 62 -0.673 7.103 0.355 1.00 0.60 H new ATOM 0 HA HIS A 62 -0.419 7.603 3.222 1.00 0.57 H new ATOM 0 HB2 HIS A 62 -2.172 9.314 1.416 1.00 0.66 H new ATOM 0 HB3 HIS A 62 -2.068 9.426 3.161 1.00 0.66 H new ATOM 0 HD2 HIS A 62 0.329 10.579 4.153 1.00 0.86 H new ATOM 0 HE1 HIS A 62 1.409 12.214 0.401 1.00 0.91 H new ATOM 0 HE2 HIS A 62 1.907 12.260 2.906 1.00 0.95 H new ATOM 957 N VAL A 63 -2.696 6.557 3.592 1.00 0.51 N ATOM 958 CA VAL A 63 -3.888 5.760 3.807 1.00 0.50 C ATOM 959 C VAL A 63 -4.844 6.548 4.683 1.00 0.58 C ATOM 960 O VAL A 63 -4.519 6.857 5.825 1.00 0.59 O ATOM 961 CB VAL A 63 -3.573 4.410 4.478 1.00 0.42 C ATOM 962 CG1 VAL A 63 -4.856 3.703 4.887 1.00 0.44 C ATOM 963 CG2 VAL A 63 -2.751 3.527 3.553 1.00 0.38 C ATOM 0 H VAL A 63 -2.235 6.859 4.450 1.00 0.51 H new ATOM 0 HA VAL A 63 -4.333 5.544 2.836 1.00 0.50 H new ATOM 0 HB VAL A 63 -2.986 4.606 5.375 1.00 0.42 H new ATOM 0 HG11 VAL A 63 -4.612 2.751 5.359 1.00 0.44 H new ATOM 0 HG12 VAL A 63 -5.407 4.327 5.591 1.00 0.44 H new ATOM 0 HG13 VAL A 63 -5.470 3.523 4.004 1.00 0.44 H new ATOM 0 HG21 VAL A 63 -2.540 2.579 4.048 1.00 0.38 H new ATOM 0 HG22 VAL A 63 -3.310 3.342 2.636 1.00 0.38 H new ATOM 0 HG23 VAL A 63 -1.813 4.027 3.312 1.00 0.38 H new ATOM 973 N ASN A 64 -5.996 6.903 4.129 1.00 0.67 N ATOM 974 CA ASN A 64 -7.009 7.683 4.844 1.00 0.76 C ATOM 975 C ASN A 64 -6.471 9.076 5.148 1.00 0.81 C ATOM 976 O ASN A 64 -6.985 9.784 6.014 1.00 0.90 O ATOM 977 CB ASN A 64 -7.453 6.981 6.138 1.00 0.77 C ATOM 978 CG ASN A 64 -8.198 5.696 5.876 1.00 0.75 C ATOM 979 OD1 ASN A 64 -8.916 5.569 4.884 1.00 0.80 O ATOM 980 ND2 ASN A 64 -8.029 4.731 6.766 1.00 0.70 N ATOM 0 H ASN A 64 -6.258 6.661 3.173 1.00 0.67 H new ATOM 0 HA ASN A 64 -7.886 7.770 4.202 1.00 0.76 H new ATOM 0 HB2 ASN A 64 -6.577 6.770 6.751 1.00 0.77 H new ATOM 0 HB3 ASN A 64 -8.089 7.655 6.712 1.00 0.77 H new ATOM 0 HD21 ASN A 64 -8.504 3.836 6.645 1.00 0.70 H new ATOM 0 HD22 ASN A 64 -7.424 4.882 7.573 1.00 0.70 H new ATOM 987 N GLY A 65 -5.441 9.468 4.407 1.00 0.78 N ATOM 988 CA GLY A 65 -4.831 10.767 4.595 1.00 0.83 C ATOM 989 C GLY A 65 -3.695 10.732 5.596 1.00 0.81 C ATOM 990 O GLY A 65 -3.235 11.777 6.057 1.00 0.90 O ATOM 0 H GLY A 65 -5.016 8.902 3.673 1.00 0.78 H new ATOM 0 HA2 GLY A 65 -4.457 11.132 3.638 1.00 0.83 H new ATOM 0 HA3 GLY A 65 -5.588 11.475 4.933 1.00 0.83 H new ATOM 994 N GLU A 66 -3.234 9.531 5.920 1.00 0.71 N ATOM 995 CA GLU A 66 -2.154 9.357 6.881 1.00 0.71 C ATOM 996 C GLU A 66 -0.855 8.980 6.184 1.00 0.66 C ATOM 997 O GLU A 66 -0.848 8.089 5.335 1.00 0.58 O ATOM 998 CB GLU A 66 -2.494 8.246 7.867 1.00 0.70 C ATOM 999 CG GLU A 66 -3.854 8.376 8.516 1.00 0.77 C ATOM 1000 CD GLU A 66 -3.828 9.284 9.726 1.00 0.95 C ATOM 1001 OE1 GLU A 66 -3.233 8.905 10.756 1.00 1.30 O ATOM 1002 OE2 GLU A 66 -4.397 10.396 9.649 1.00 1.36 O ATOM 0 H GLU A 66 -3.593 8.660 5.529 1.00 0.71 H new ATOM 0 HA GLU A 66 -2.031 10.306 7.402 1.00 0.71 H new ATOM 0 HB2 GLU A 66 -2.444 7.289 7.348 1.00 0.70 H new ATOM 0 HB3 GLU A 66 -1.734 8.225 8.648 1.00 0.70 H new ATOM 0 HG2 GLU A 66 -4.566 8.765 7.788 1.00 0.77 H new ATOM 0 HG3 GLU A 66 -4.208 7.389 8.813 1.00 0.77 H new ATOM 1009 N PRO A 67 0.256 9.656 6.514 1.00 0.73 N ATOM 1010 CA PRO A 67 1.561 9.336 5.944 1.00 0.72 C ATOM 1011 C PRO A 67 2.043 7.989 6.463 1.00 0.64 C ATOM 1012 O PRO A 67 2.403 7.857 7.634 1.00 0.72 O ATOM 1013 CB PRO A 67 2.478 10.465 6.433 1.00 0.84 C ATOM 1014 CG PRO A 67 1.574 11.502 7.013 1.00 0.90 C ATOM 1015 CD PRO A 67 0.332 10.788 7.449 1.00 0.84 C ATOM 0 HA PRO A 67 1.540 9.264 4.857 1.00 0.72 H new ATOM 0 HB2 PRO A 67 3.184 10.100 7.179 1.00 0.84 H new ATOM 0 HB3 PRO A 67 3.066 10.874 5.612 1.00 0.84 H new ATOM 0 HG2 PRO A 67 2.049 12.003 7.856 1.00 0.90 H new ATOM 0 HG3 PRO A 67 1.341 12.270 6.275 1.00 0.90 H new ATOM 0 HD2 PRO A 67 0.401 10.453 8.484 1.00 0.84 H new ATOM 0 HD3 PRO A 67 -0.547 11.429 7.380 1.00 0.84 H new ATOM 1023 N VAL A 68 2.032 6.990 5.599 1.00 0.53 N ATOM 1024 CA VAL A 68 2.440 5.650 5.994 1.00 0.48 C ATOM 1025 C VAL A 68 3.945 5.458 5.893 1.00 0.56 C ATOM 1026 O VAL A 68 4.476 4.433 6.328 1.00 0.60 O ATOM 1027 CB VAL A 68 1.738 4.569 5.160 1.00 0.42 C ATOM 1028 CG1 VAL A 68 0.229 4.702 5.283 1.00 0.40 C ATOM 1029 CG2 VAL A 68 2.170 4.630 3.699 1.00 0.52 C ATOM 0 H VAL A 68 1.747 7.078 4.624 1.00 0.53 H new ATOM 0 HA VAL A 68 2.142 5.543 7.037 1.00 0.48 H new ATOM 0 HB VAL A 68 2.033 3.595 5.551 1.00 0.42 H new ATOM 0 HG11 VAL A 68 -0.254 3.929 4.686 1.00 0.40 H new ATOM 0 HG12 VAL A 68 -0.062 4.589 6.327 1.00 0.40 H new ATOM 0 HG13 VAL A 68 -0.080 5.684 4.924 1.00 0.40 H new ATOM 0 HG21 VAL A 68 1.656 3.852 3.135 1.00 0.52 H new ATOM 0 HG22 VAL A 68 1.917 5.606 3.285 1.00 0.52 H new ATOM 0 HG23 VAL A 68 3.247 4.475 3.631 1.00 0.52 H new ATOM 1039 N HIS A 69 4.624 6.442 5.320 1.00 0.62 N ATOM 1040 CA HIS A 69 6.069 6.374 5.170 1.00 0.73 C ATOM 1041 C HIS A 69 6.735 6.271 6.538 1.00 0.77 C ATOM 1042 O HIS A 69 6.665 7.195 7.350 1.00 0.84 O ATOM 1043 CB HIS A 69 6.591 7.596 4.405 1.00 0.82 C ATOM 1044 CG HIS A 69 8.086 7.636 4.286 1.00 0.94 C ATOM 1045 ND1 HIS A 69 8.782 6.668 3.601 1.00 1.39 N ATOM 1046 CD2 HIS A 69 8.964 8.527 4.804 1.00 1.09 C ATOM 1047 CE1 HIS A 69 10.057 6.990 3.721 1.00 1.37 C ATOM 1048 NE2 HIS A 69 10.218 8.109 4.442 1.00 1.17 N ATOM 0 H HIS A 69 4.199 7.293 4.953 1.00 0.62 H new ATOM 0 HA HIS A 69 6.318 5.482 4.594 1.00 0.73 H new ATOM 0 HB2 HIS A 69 6.155 7.602 3.406 1.00 0.82 H new ATOM 0 HB3 HIS A 69 6.250 8.501 4.907 1.00 0.82 H new ATOM 0 HD2 HIS A 69 8.722 9.401 5.391 1.00 1.09 H new ATOM 0 HE1 HIS A 69 10.869 6.422 3.292 1.00 1.37 H new ATOM 0 HE2 HIS A 69 11.102 8.561 4.676 1.00 1.17 H new ATOM 1056 N GLY A 70 7.355 5.130 6.796 1.00 0.80 N ATOM 1057 CA GLY A 70 8.020 4.919 8.062 1.00 0.89 C ATOM 1058 C GLY A 70 7.377 3.819 8.877 1.00 0.86 C ATOM 1059 O GLY A 70 8.016 3.243 9.758 1.00 0.98 O ATOM 0 H GLY A 70 7.409 4.344 6.148 1.00 0.80 H new ATOM 0 HA2 GLY A 70 9.066 4.670 7.882 1.00 0.89 H new ATOM 0 HA3 GLY A 70 8.007 5.846 8.635 1.00 0.89 H new ATOM 1063 N LEU A 71 6.111 3.521 8.599 1.00 0.74 N ATOM 1064 CA LEU A 71 5.405 2.483 9.327 1.00 0.72 C ATOM 1065 C LEU A 71 5.836 1.089 8.922 1.00 0.73 C ATOM 1066 O LEU A 71 6.656 0.891 8.025 1.00 0.82 O ATOM 1067 CB LEU A 71 3.918 2.567 9.058 1.00 0.67 C ATOM 1068 CG LEU A 71 3.203 3.775 9.611 1.00 0.57 C ATOM 1069 CD1 LEU A 71 1.754 3.710 9.218 1.00 0.47 C ATOM 1070 CD2 LEU A 71 3.365 3.877 11.119 1.00 0.83 C ATOM 0 H LEU A 71 5.559 3.984 7.877 1.00 0.74 H new ATOM 0 HA LEU A 71 5.640 2.649 10.378 1.00 0.72 H new ATOM 0 HB2 LEU A 71 3.764 2.543 7.979 1.00 0.67 H new ATOM 0 HB3 LEU A 71 3.446 1.674 9.467 1.00 0.67 H new ATOM 0 HG LEU A 71 3.648 4.676 9.189 1.00 0.57 H new ATOM 0 HD11 LEU A 71 1.230 4.580 9.614 1.00 0.47 H new ATOM 0 HD12 LEU A 71 1.672 3.701 8.131 1.00 0.47 H new ATOM 0 HD13 LEU A 71 1.307 2.802 9.623 1.00 0.47 H new ATOM 0 HD21 LEU A 71 2.837 4.759 11.483 1.00 0.83 H new ATOM 0 HD22 LEU A 71 2.951 2.986 11.591 1.00 0.83 H new ATOM 0 HD23 LEU A 71 4.423 3.960 11.366 1.00 0.83 H new ATOM 1082 N VAL A 72 5.236 0.129 9.599 1.00 0.68 N ATOM 1083 CA VAL A 72 5.455 -1.270 9.325 1.00 0.68 C ATOM 1084 C VAL A 72 4.312 -1.754 8.448 1.00 0.59 C ATOM 1085 O VAL A 72 3.347 -1.013 8.230 1.00 0.52 O ATOM 1086 CB VAL A 72 5.494 -2.103 10.619 1.00 0.72 C ATOM 1087 CG1 VAL A 72 6.683 -1.709 11.482 1.00 0.82 C ATOM 1088 CG2 VAL A 72 4.192 -1.942 11.389 1.00 0.69 C ATOM 0 H VAL A 72 4.579 0.304 10.359 1.00 0.68 H new ATOM 0 HA VAL A 72 6.418 -1.391 8.828 1.00 0.68 H new ATOM 0 HB VAL A 72 5.609 -3.153 10.349 1.00 0.72 H new ATOM 0 HG11 VAL A 72 6.689 -2.311 12.390 1.00 0.82 H new ATOM 0 HG12 VAL A 72 7.606 -1.878 10.928 1.00 0.82 H new ATOM 0 HG13 VAL A 72 6.607 -0.654 11.747 1.00 0.82 H new ATOM 0 HG21 VAL A 72 4.233 -2.536 12.302 1.00 0.69 H new ATOM 0 HG22 VAL A 72 4.048 -0.892 11.646 1.00 0.69 H new ATOM 0 HG23 VAL A 72 3.360 -2.282 10.772 1.00 0.69 H new ATOM 1098 N HIS A 73 4.400 -2.976 7.965 1.00 0.60 N ATOM 1099 CA HIS A 73 3.359 -3.528 7.112 1.00 0.53 C ATOM 1100 C HIS A 73 2.008 -3.538 7.824 1.00 0.44 C ATOM 1101 O HIS A 73 0.996 -3.150 7.254 1.00 0.36 O ATOM 1102 CB HIS A 73 3.731 -4.945 6.678 1.00 0.60 C ATOM 1103 CG HIS A 73 2.754 -5.556 5.724 1.00 0.58 C ATOM 1104 ND1 HIS A 73 2.424 -5.003 4.508 1.00 0.58 N ATOM 1105 CD2 HIS A 73 2.037 -6.704 5.821 1.00 0.58 C ATOM 1106 CE1 HIS A 73 1.538 -5.810 3.918 1.00 0.58 C ATOM 1107 NE2 HIS A 73 1.271 -6.857 4.671 1.00 0.58 N ATOM 0 H HIS A 73 5.180 -3.608 8.146 1.00 0.60 H new ATOM 0 HA HIS A 73 3.274 -2.892 6.231 1.00 0.53 H new ATOM 0 HB2 HIS A 73 4.717 -4.926 6.213 1.00 0.60 H new ATOM 0 HB3 HIS A 73 3.807 -5.578 7.562 1.00 0.60 H new ATOM 0 HD1 HIS A 73 2.791 -4.132 4.125 1.00 0.58 H new ATOM 0 HD2 HIS A 73 2.058 -7.388 6.656 1.00 0.58 H new ATOM 0 HE1 HIS A 73 1.098 -5.628 2.949 1.00 0.58 H new ATOM 1115 N THR A 74 2.005 -3.949 9.076 1.00 0.48 N ATOM 1116 CA THR A 74 0.773 -4.030 9.840 1.00 0.44 C ATOM 1117 C THR A 74 0.193 -2.662 10.190 1.00 0.41 C ATOM 1118 O THR A 74 -1.024 -2.513 10.212 1.00 0.39 O ATOM 1119 CB THR A 74 0.981 -4.838 11.120 1.00 0.52 C ATOM 1120 OG1 THR A 74 2.269 -4.541 11.677 1.00 0.57 O ATOM 1121 CG2 THR A 74 0.881 -6.325 10.833 1.00 0.57 C ATOM 0 H THR A 74 2.841 -4.232 9.587 1.00 0.48 H new ATOM 0 HA THR A 74 0.053 -4.534 9.196 1.00 0.44 H new ATOM 0 HB THR A 74 0.203 -4.566 11.833 1.00 0.52 H new ATOM 0 HG1 THR A 74 2.398 -5.060 12.498 1.00 0.57 H new ATOM 0 HG21 THR A 74 1.032 -6.885 11.756 1.00 0.57 H new ATOM 0 HG22 THR A 74 -0.105 -6.552 10.428 1.00 0.57 H new ATOM 0 HG23 THR A 74 1.645 -6.608 10.108 1.00 0.57 H new ATOM 1129 N GLU A 75 1.041 -1.664 10.454 1.00 0.45 N ATOM 1130 CA GLU A 75 0.547 -0.340 10.799 1.00 0.46 C ATOM 1131 C GLU A 75 -0.343 0.198 9.698 1.00 0.37 C ATOM 1132 O GLU A 75 -1.413 0.745 9.956 1.00 0.38 O ATOM 1133 CB GLU A 75 1.682 0.642 11.062 1.00 0.53 C ATOM 1134 CG GLU A 75 2.298 0.474 12.434 1.00 0.66 C ATOM 1135 CD GLU A 75 1.433 1.059 13.526 1.00 0.74 C ATOM 1136 OE1 GLU A 75 1.558 2.270 13.799 1.00 0.80 O ATOM 1137 OE2 GLU A 75 0.627 0.314 14.120 1.00 0.88 O ATOM 0 H GLU A 75 2.057 -1.751 10.435 1.00 0.45 H new ATOM 0 HA GLU A 75 -0.030 -0.444 11.718 1.00 0.46 H new ATOM 0 HB2 GLU A 75 2.454 0.509 10.304 1.00 0.53 H new ATOM 0 HB3 GLU A 75 1.306 1.660 10.960 1.00 0.53 H new ATOM 0 HG2 GLU A 75 2.460 -0.586 12.630 1.00 0.66 H new ATOM 0 HG3 GLU A 75 3.276 0.954 12.452 1.00 0.66 H new ATOM 1144 N VAL A 76 0.101 0.018 8.467 1.00 0.32 N ATOM 1145 CA VAL A 76 -0.659 0.479 7.321 1.00 0.25 C ATOM 1146 C VAL A 76 -1.859 -0.438 7.087 1.00 0.20 C ATOM 1147 O VAL A 76 -2.938 0.031 6.735 1.00 0.21 O ATOM 1148 CB VAL A 76 0.219 0.596 6.052 1.00 0.26 C ATOM 1149 CG1 VAL A 76 1.464 1.404 6.365 1.00 0.37 C ATOM 1150 CG2 VAL A 76 0.604 -0.763 5.501 1.00 0.28 C ATOM 0 H VAL A 76 0.981 -0.443 8.236 1.00 0.32 H new ATOM 0 HA VAL A 76 -1.024 1.483 7.539 1.00 0.25 H new ATOM 0 HB VAL A 76 -0.367 1.104 5.286 1.00 0.26 H new ATOM 0 HG11 VAL A 76 2.080 1.485 5.469 1.00 0.37 H new ATOM 0 HG12 VAL A 76 1.176 2.401 6.698 1.00 0.37 H new ATOM 0 HG13 VAL A 76 2.031 0.908 7.152 1.00 0.37 H new ATOM 0 HG21 VAL A 76 1.220 -0.634 4.611 1.00 0.28 H new ATOM 0 HG22 VAL A 76 1.166 -1.315 6.254 1.00 0.28 H new ATOM 0 HG23 VAL A 76 -0.297 -1.319 5.241 1.00 0.28 H new ATOM 1160 N VAL A 77 -1.671 -1.740 7.318 1.00 0.21 N ATOM 1161 CA VAL A 77 -2.744 -2.721 7.169 1.00 0.20 C ATOM 1162 C VAL A 77 -3.915 -2.337 8.061 1.00 0.26 C ATOM 1163 O VAL A 77 -5.062 -2.274 7.612 1.00 0.29 O ATOM 1164 CB VAL A 77 -2.246 -4.147 7.519 1.00 0.25 C ATOM 1165 CG1 VAL A 77 -3.393 -5.068 7.896 1.00 0.28 C ATOM 1166 CG2 VAL A 77 -1.468 -4.738 6.352 1.00 0.28 C ATOM 0 H VAL A 77 -0.779 -2.139 7.611 1.00 0.21 H new ATOM 0 HA VAL A 77 -3.069 -2.725 6.129 1.00 0.20 H new ATOM 0 HB VAL A 77 -1.589 -4.060 8.384 1.00 0.25 H new ATOM 0 HG11 VAL A 77 -3.002 -6.057 8.134 1.00 0.28 H new ATOM 0 HG12 VAL A 77 -3.913 -4.665 8.765 1.00 0.28 H new ATOM 0 HG13 VAL A 77 -4.088 -5.144 7.060 1.00 0.28 H new ATOM 0 HG21 VAL A 77 -1.125 -5.739 6.613 1.00 0.28 H new ATOM 0 HG22 VAL A 77 -2.113 -4.793 5.475 1.00 0.28 H new ATOM 0 HG23 VAL A 77 -0.608 -4.106 6.131 1.00 0.28 H new ATOM 1176 N GLU A 78 -3.609 -2.067 9.322 1.00 0.33 N ATOM 1177 CA GLU A 78 -4.617 -1.656 10.281 1.00 0.43 C ATOM 1178 C GLU A 78 -5.235 -0.363 9.838 1.00 0.45 C ATOM 1179 O GLU A 78 -6.448 -0.220 9.807 1.00 0.51 O ATOM 1180 CB GLU A 78 -4.003 -1.471 11.640 1.00 0.52 C ATOM 1181 CG GLU A 78 -3.318 -2.706 12.133 1.00 0.58 C ATOM 1182 CD GLU A 78 -2.878 -2.608 13.578 1.00 0.79 C ATOM 1183 OE1 GLU A 78 -2.732 -1.476 14.082 1.00 1.12 O ATOM 1184 OE2 GLU A 78 -2.670 -3.662 14.216 1.00 1.32 O ATOM 0 H GLU A 78 -2.665 -2.126 9.703 1.00 0.33 H new ATOM 0 HA GLU A 78 -5.381 -2.431 10.338 1.00 0.43 H new ATOM 0 HB2 GLU A 78 -3.285 -0.652 11.602 1.00 0.52 H new ATOM 0 HB3 GLU A 78 -4.779 -1.182 12.349 1.00 0.52 H new ATOM 0 HG2 GLU A 78 -3.991 -3.556 12.022 1.00 0.58 H new ATOM 0 HG3 GLU A 78 -2.448 -2.905 11.508 1.00 0.58 H new ATOM 1191 N LEU A 79 -4.364 0.578 9.531 1.00 0.42 N ATOM 1192 CA LEU A 79 -4.769 1.896 9.041 1.00 0.47 C ATOM 1193 C LEU A 79 -5.875 1.752 8.001 1.00 0.48 C ATOM 1194 O LEU A 79 -6.952 2.331 8.147 1.00 0.58 O ATOM 1195 CB LEU A 79 -3.576 2.625 8.431 1.00 0.42 C ATOM 1196 CG LEU A 79 -3.361 4.051 8.927 1.00 0.50 C ATOM 1197 CD1 LEU A 79 -2.761 4.046 10.321 1.00 0.57 C ATOM 1198 CD2 LEU A 79 -2.473 4.807 7.960 1.00 0.46 C ATOM 0 H LEU A 79 -3.354 0.458 9.612 1.00 0.42 H new ATOM 0 HA LEU A 79 -5.145 2.478 9.882 1.00 0.47 H new ATOM 0 HB2 LEU A 79 -2.675 2.047 8.635 1.00 0.42 H new ATOM 0 HB3 LEU A 79 -3.701 2.649 7.348 1.00 0.42 H new ATOM 0 HG LEU A 79 -4.326 4.555 8.979 1.00 0.50 H new ATOM 0 HD11 LEU A 79 -2.615 5.072 10.658 1.00 0.57 H new ATOM 0 HD12 LEU A 79 -3.436 3.532 11.006 1.00 0.57 H new ATOM 0 HD13 LEU A 79 -1.801 3.530 10.302 1.00 0.57 H new ATOM 0 HD21 LEU A 79 -2.325 5.824 8.322 1.00 0.46 H new ATOM 0 HD22 LEU A 79 -1.509 4.305 7.883 1.00 0.46 H new ATOM 0 HD23 LEU A 79 -2.946 4.836 6.978 1.00 0.46 H new ATOM 1210 N ILE A 80 -5.594 0.980 6.949 1.00 0.40 N ATOM 1211 CA ILE A 80 -6.560 0.706 5.909 1.00 0.45 C ATOM 1212 C ILE A 80 -7.849 0.156 6.503 1.00 0.52 C ATOM 1213 O ILE A 80 -8.930 0.666 6.240 1.00 0.63 O ATOM 1214 CB ILE A 80 -5.976 -0.321 4.941 1.00 0.37 C ATOM 1215 CG1 ILE A 80 -4.722 0.250 4.302 1.00 0.33 C ATOM 1216 CG2 ILE A 80 -6.999 -0.724 3.901 1.00 0.46 C ATOM 1217 CD1 ILE A 80 -3.737 -0.808 3.899 1.00 0.27 C ATOM 0 H ILE A 80 -4.689 0.533 6.804 1.00 0.40 H new ATOM 0 HA ILE A 80 -6.784 1.635 5.385 1.00 0.45 H new ATOM 0 HB ILE A 80 -5.707 -1.224 5.489 1.00 0.37 H new ATOM 0 HG12 ILE A 80 -5.001 0.833 3.424 1.00 0.33 H new ATOM 0 HG13 ILE A 80 -4.244 0.936 5.001 1.00 0.33 H new ATOM 0 HG21 ILE A 80 -6.560 -1.456 3.223 1.00 0.46 H new ATOM 0 HG22 ILE A 80 -7.867 -1.161 4.395 1.00 0.46 H new ATOM 0 HG23 ILE A 80 -7.308 0.155 3.335 1.00 0.46 H new ATOM 0 HD11 ILE A 80 -2.863 -0.338 3.449 1.00 0.27 H new ATOM 0 HD12 ILE A 80 -3.432 -1.375 4.778 1.00 0.27 H new ATOM 0 HD13 ILE A 80 -4.200 -1.480 3.177 1.00 0.27 H new ATOM 1229 N LEU A 81 -7.715 -0.903 7.285 1.00 0.48 N ATOM 1230 CA LEU A 81 -8.856 -1.540 7.948 1.00 0.56 C ATOM 1231 C LEU A 81 -9.683 -0.539 8.771 1.00 0.68 C ATOM 1232 O LEU A 81 -10.912 -0.550 8.714 1.00 0.78 O ATOM 1233 CB LEU A 81 -8.354 -2.666 8.856 1.00 0.52 C ATOM 1234 CG LEU A 81 -7.898 -3.932 8.130 1.00 0.51 C ATOM 1235 CD1 LEU A 81 -7.098 -4.823 9.065 1.00 0.48 C ATOM 1236 CD2 LEU A 81 -9.092 -4.691 7.569 1.00 0.68 C ATOM 0 H LEU A 81 -6.819 -1.349 7.482 1.00 0.48 H new ATOM 0 HA LEU A 81 -9.508 -1.942 7.173 1.00 0.56 H new ATOM 0 HB2 LEU A 81 -7.523 -2.288 9.451 1.00 0.52 H new ATOM 0 HB3 LEU A 81 -9.149 -2.932 9.552 1.00 0.52 H new ATOM 0 HG LEU A 81 -7.258 -3.636 7.299 1.00 0.51 H new ATOM 0 HD11 LEU A 81 -6.782 -5.719 8.531 1.00 0.48 H new ATOM 0 HD12 LEU A 81 -6.220 -4.283 9.420 1.00 0.48 H new ATOM 0 HD13 LEU A 81 -7.717 -5.107 9.916 1.00 0.48 H new ATOM 0 HD21 LEU A 81 -8.745 -5.588 7.057 1.00 0.68 H new ATOM 0 HD22 LEU A 81 -9.759 -4.974 8.384 1.00 0.68 H new ATOM 0 HD23 LEU A 81 -9.629 -4.056 6.865 1.00 0.68 H new ATOM 1248 N LYS A 82 -9.004 0.328 9.519 1.00 0.68 N ATOM 1249 CA LYS A 82 -9.659 1.315 10.377 1.00 0.80 C ATOM 1250 C LYS A 82 -10.456 2.381 9.615 1.00 0.87 C ATOM 1251 O LYS A 82 -11.117 3.220 10.231 1.00 1.00 O ATOM 1252 CB LYS A 82 -8.620 1.978 11.264 1.00 0.77 C ATOM 1253 CG LYS A 82 -7.922 0.971 12.141 1.00 0.75 C ATOM 1254 CD LYS A 82 -7.084 1.632 13.224 1.00 0.77 C ATOM 1255 CE LYS A 82 -5.693 1.985 12.721 1.00 0.78 C ATOM 1256 NZ LYS A 82 -4.907 2.736 13.733 1.00 0.88 N ATOM 0 H LYS A 82 -7.985 0.367 9.548 1.00 0.68 H new ATOM 0 HA LYS A 82 -10.390 0.769 10.973 1.00 0.80 H new ATOM 0 HB2 LYS A 82 -7.886 2.494 10.644 1.00 0.77 H new ATOM 0 HB3 LYS A 82 -9.099 2.734 11.886 1.00 0.77 H new ATOM 0 HG2 LYS A 82 -8.664 0.320 12.605 1.00 0.75 H new ATOM 0 HG3 LYS A 82 -7.283 0.338 11.526 1.00 0.75 H new ATOM 0 HD2 LYS A 82 -7.585 2.535 13.572 1.00 0.77 H new ATOM 0 HD3 LYS A 82 -7.002 0.963 14.080 1.00 0.77 H new ATOM 0 HE2 LYS A 82 -5.162 1.071 12.455 1.00 0.78 H new ATOM 0 HE3 LYS A 82 -5.777 2.581 11.812 1.00 0.78 H new ATOM 0 HZ1 LYS A 82 -3.966 2.956 13.348 1.00 0.88 H new ATOM 0 HZ2 LYS A 82 -5.400 3.621 13.969 1.00 0.88 H new ATOM 0 HZ3 LYS A 82 -4.804 2.158 14.591 1.00 0.88 H new ATOM 1270 N SER A 83 -10.370 2.373 8.291 1.00 0.82 N ATOM 1271 CA SER A 83 -11.094 3.335 7.466 1.00 0.90 C ATOM 1272 C SER A 83 -12.594 3.351 7.788 1.00 1.02 C ATOM 1273 O SER A 83 -13.141 4.371 8.220 1.00 1.08 O ATOM 1274 CB SER A 83 -10.885 3.002 5.994 1.00 0.85 C ATOM 1275 OG SER A 83 -11.268 1.666 5.713 1.00 0.78 O ATOM 0 H SER A 83 -9.804 1.709 7.763 1.00 0.82 H new ATOM 0 HA SER A 83 -10.700 4.327 7.685 1.00 0.90 H new ATOM 0 HB2 SER A 83 -11.466 3.687 5.377 1.00 0.85 H new ATOM 0 HB3 SER A 83 -9.837 3.146 5.731 1.00 0.85 H new ATOM 0 HG SER A 83 -10.647 1.048 6.153 1.00 0.78 H new ATOM 1281 N GLY A 84 -13.252 2.220 7.574 1.00 1.06 N ATOM 1282 CA GLY A 84 -14.672 2.117 7.838 1.00 1.18 C ATOM 1283 C GLY A 84 -15.505 2.349 6.592 1.00 1.22 C ATOM 1284 O GLY A 84 -15.681 3.491 6.164 1.00 1.29 O ATOM 0 H GLY A 84 -12.823 1.366 7.219 1.00 1.06 H new ATOM 0 HA2 GLY A 84 -14.894 1.129 8.243 1.00 1.18 H new ATOM 0 HA3 GLY A 84 -14.952 2.844 8.600 1.00 1.18 H new ATOM 1288 N ASN A 85 -15.996 1.253 6.010 1.00 1.19 N ATOM 1289 CA ASN A 85 -16.833 1.275 4.798 1.00 1.25 C ATOM 1290 C ASN A 85 -16.012 1.558 3.543 1.00 1.19 C ATOM 1291 O ASN A 85 -16.211 0.920 2.514 1.00 1.19 O ATOM 1292 CB ASN A 85 -17.998 2.272 4.930 1.00 1.40 C ATOM 1293 CG ASN A 85 -18.521 2.758 3.587 1.00 1.45 C ATOM 1294 OD1 ASN A 85 -18.243 3.879 3.164 1.00 1.48 O ATOM 1295 ND2 ASN A 85 -19.280 1.920 2.903 1.00 1.50 N ATOM 0 H ASN A 85 -15.825 0.313 6.367 1.00 1.19 H new ATOM 0 HA ASN A 85 -17.259 0.277 4.693 1.00 1.25 H new ATOM 0 HB2 ASN A 85 -18.812 1.800 5.481 1.00 1.40 H new ATOM 0 HB3 ASN A 85 -17.670 3.129 5.518 1.00 1.40 H new ATOM 0 HD21 ASN A 85 -19.654 2.196 1.995 1.00 1.50 H new ATOM 0 HD22 ASN A 85 -19.491 0.997 3.283 1.00 1.50 H new ATOM 1302 N LYS A 86 -15.107 2.514 3.621 1.00 1.14 N ATOM 1303 CA LYS A 86 -14.254 2.849 2.508 1.00 1.10 C ATOM 1304 C LYS A 86 -12.960 3.405 3.015 1.00 1.02 C ATOM 1305 O LYS A 86 -12.891 3.952 4.114 1.00 1.04 O ATOM 1306 CB LYS A 86 -14.893 3.858 1.590 1.00 1.19 C ATOM 1307 CG LYS A 86 -15.217 5.154 2.277 1.00 1.28 C ATOM 1308 CD LYS A 86 -16.323 5.892 1.567 1.00 1.38 C ATOM 1309 CE LYS A 86 -16.451 7.315 2.070 1.00 1.44 C ATOM 1310 NZ LYS A 86 -17.576 8.031 1.422 1.00 1.58 N ATOM 0 H LYS A 86 -14.946 3.076 4.457 1.00 1.14 H new ATOM 0 HA LYS A 86 -14.083 1.934 1.941 1.00 1.10 H new ATOM 0 HB2 LYS A 86 -14.223 4.054 0.753 1.00 1.19 H new ATOM 0 HB3 LYS A 86 -15.808 3.435 1.174 1.00 1.19 H new ATOM 0 HG2 LYS A 86 -15.512 4.957 3.308 1.00 1.28 H new ATOM 0 HG3 LYS A 86 -14.326 5.780 2.315 1.00 1.28 H new ATOM 0 HD2 LYS A 86 -16.127 5.900 0.495 1.00 1.38 H new ATOM 0 HD3 LYS A 86 -17.266 5.366 1.715 1.00 1.38 H new ATOM 0 HE2 LYS A 86 -16.600 7.306 3.150 1.00 1.44 H new ATOM 0 HE3 LYS A 86 -15.522 7.852 1.881 1.00 1.44 H new ATOM 0 HZ1 LYS A 86 -17.630 9.001 1.793 1.00 1.58 H new ATOM 0 HZ2 LYS A 86 -17.422 8.062 0.394 1.00 1.58 H new ATOM 0 HZ3 LYS A 86 -18.467 7.533 1.624 1.00 1.58 H new ATOM 1324 N VAL A 87 -11.963 3.297 2.193 1.00 0.95 N ATOM 1325 CA VAL A 87 -10.643 3.764 2.545 1.00 0.87 C ATOM 1326 C VAL A 87 -10.028 4.558 1.409 1.00 0.88 C ATOM 1327 O VAL A 87 -10.071 4.145 0.250 1.00 0.91 O ATOM 1328 CB VAL A 87 -9.741 2.571 2.923 1.00 0.76 C ATOM 1329 CG1 VAL A 87 -9.768 1.513 1.834 1.00 0.75 C ATOM 1330 CG2 VAL A 87 -8.315 3.019 3.212 1.00 0.68 C ATOM 0 H VAL A 87 -12.032 2.886 1.262 1.00 0.95 H new ATOM 0 HA VAL A 87 -10.731 4.425 3.407 1.00 0.87 H new ATOM 0 HB VAL A 87 -10.137 2.131 3.838 1.00 0.76 H new ATOM 0 HG11 VAL A 87 -9.126 0.680 2.120 1.00 0.75 H new ATOM 0 HG12 VAL A 87 -10.789 1.155 1.700 1.00 0.75 H new ATOM 0 HG13 VAL A 87 -9.409 1.944 0.899 1.00 0.75 H new ATOM 0 HG21 VAL A 87 -7.708 2.153 3.475 1.00 0.68 H new ATOM 0 HG22 VAL A 87 -7.898 3.499 2.327 1.00 0.68 H new ATOM 0 HG23 VAL A 87 -8.317 3.726 4.042 1.00 0.68 H new ATOM 1340 N ALA A 88 -9.483 5.715 1.740 1.00 0.87 N ATOM 1341 CA ALA A 88 -8.851 6.559 0.744 1.00 0.89 C ATOM 1342 C ALA A 88 -7.377 6.237 0.666 1.00 0.80 C ATOM 1343 O ALA A 88 -6.597 6.589 1.550 1.00 0.76 O ATOM 1344 CB ALA A 88 -9.058 8.028 1.045 1.00 0.96 C ATOM 0 H ALA A 88 -9.466 6.090 2.688 1.00 0.87 H new ATOM 0 HA ALA A 88 -9.317 6.356 -0.220 1.00 0.89 H new ATOM 0 HB1 ALA A 88 -8.570 8.629 0.277 1.00 0.96 H new ATOM 0 HB2 ALA A 88 -10.125 8.250 1.056 1.00 0.96 H new ATOM 0 HB3 ALA A 88 -8.628 8.264 2.018 1.00 0.96 H new ATOM 1350 N ILE A 89 -7.006 5.564 -0.389 1.00 0.79 N ATOM 1351 CA ILE A 89 -5.628 5.162 -0.588 1.00 0.72 C ATOM 1352 C ILE A 89 -4.939 6.077 -1.590 1.00 0.78 C ATOM 1353 O ILE A 89 -5.232 6.038 -2.782 1.00 0.86 O ATOM 1354 CB ILE A 89 -5.544 3.704 -1.071 1.00 0.70 C ATOM 1355 CG1 ILE A 89 -6.366 2.792 -0.148 1.00 0.66 C ATOM 1356 CG2 ILE A 89 -4.104 3.258 -1.136 1.00 0.67 C ATOM 1357 CD1 ILE A 89 -5.726 1.454 0.173 1.00 0.60 C ATOM 0 H ILE A 89 -7.641 5.277 -1.134 1.00 0.79 H new ATOM 0 HA ILE A 89 -5.118 5.242 0.372 1.00 0.72 H new ATOM 0 HB ILE A 89 -5.964 3.637 -2.075 1.00 0.70 H new ATOM 0 HG12 ILE A 89 -6.553 3.321 0.786 1.00 0.66 H new ATOM 0 HG13 ILE A 89 -7.336 2.611 -0.612 1.00 0.66 H new ATOM 0 HG21 ILE A 89 -4.058 2.224 -1.479 1.00 0.67 H new ATOM 0 HG22 ILE A 89 -3.557 3.895 -1.830 1.00 0.67 H new ATOM 0 HG23 ILE A 89 -3.655 3.331 -0.145 1.00 0.67 H new ATOM 0 HD11 ILE A 89 -6.383 0.885 0.830 1.00 0.60 H new ATOM 0 HD12 ILE A 89 -5.564 0.897 -0.750 1.00 0.60 H new ATOM 0 HD13 ILE A 89 -4.770 1.618 0.670 1.00 0.60 H new ATOM 1369 N SER A 90 -4.036 6.905 -1.101 1.00 0.75 N ATOM 1370 CA SER A 90 -3.312 7.831 -1.952 1.00 0.81 C ATOM 1371 C SER A 90 -2.199 7.094 -2.689 1.00 0.82 C ATOM 1372 O SER A 90 -1.181 6.721 -2.098 1.00 0.77 O ATOM 1373 CB SER A 90 -2.752 8.976 -1.110 1.00 0.79 C ATOM 1374 OG SER A 90 -3.710 9.416 -0.156 1.00 0.82 O ATOM 0 H SER A 90 -3.785 6.956 -0.114 1.00 0.75 H new ATOM 0 HA SER A 90 -3.990 8.253 -2.694 1.00 0.81 H new ATOM 0 HB2 SER A 90 -1.847 8.649 -0.599 1.00 0.79 H new ATOM 0 HB3 SER A 90 -2.470 9.806 -1.758 1.00 0.79 H new ATOM 0 HG SER A 90 -3.575 10.369 0.027 1.00 0.82 H new ATOM 1380 N THR A 91 -2.413 6.866 -3.974 1.00 0.91 N ATOM 1381 CA THR A 91 -1.457 6.159 -4.795 1.00 0.95 C ATOM 1382 C THR A 91 -0.596 7.119 -5.607 1.00 1.04 C ATOM 1383 O THR A 91 -0.981 8.260 -5.861 1.00 1.09 O ATOM 1384 CB THR A 91 -2.179 5.200 -5.756 1.00 1.02 C ATOM 1385 OG1 THR A 91 -3.334 5.851 -6.304 1.00 1.06 O ATOM 1386 CG2 THR A 91 -2.605 3.926 -5.047 1.00 0.97 C ATOM 0 H THR A 91 -3.252 7.166 -4.471 1.00 0.91 H new ATOM 0 HA THR A 91 -0.811 5.594 -4.123 1.00 0.95 H new ATOM 0 HB THR A 91 -1.487 4.932 -6.554 1.00 1.02 H new ATOM 0 HG1 THR A 91 -3.793 5.240 -6.918 1.00 1.06 H new ATOM 0 HG21 THR A 91 -3.113 3.269 -5.753 1.00 0.97 H new ATOM 0 HG22 THR A 91 -1.726 3.420 -4.648 1.00 0.97 H new ATOM 0 HG23 THR A 91 -3.283 4.173 -4.230 1.00 0.97 H new ATOM 1394 N THR A 92 0.565 6.638 -6.004 1.00 1.10 N ATOM 1395 CA THR A 92 1.504 7.408 -6.790 1.00 1.19 C ATOM 1396 C THR A 92 2.459 6.432 -7.478 1.00 1.24 C ATOM 1397 O THR A 92 2.653 5.327 -6.980 1.00 1.20 O ATOM 1398 CB THR A 92 2.267 8.414 -5.887 1.00 1.16 C ATOM 1399 OG1 THR A 92 3.287 9.102 -6.623 1.00 1.24 O ATOM 1400 CG2 THR A 92 2.886 7.710 -4.689 1.00 1.08 C ATOM 0 H THR A 92 0.885 5.694 -5.788 1.00 1.10 H new ATOM 0 HA THR A 92 0.981 7.993 -7.546 1.00 1.19 H new ATOM 0 HB THR A 92 1.541 9.145 -5.531 1.00 1.16 H new ATOM 0 HG1 THR A 92 2.917 9.926 -7.002 1.00 1.24 H new ATOM 0 HG21 THR A 92 3.415 8.437 -4.073 1.00 1.08 H new ATOM 0 HG22 THR A 92 2.101 7.237 -4.099 1.00 1.08 H new ATOM 0 HG23 THR A 92 3.587 6.950 -5.035 1.00 1.08 H new ATOM 1408 N PRO A 93 3.008 6.791 -8.653 1.00 1.35 N ATOM 1409 CA PRO A 93 3.934 5.927 -9.402 1.00 1.42 C ATOM 1410 C PRO A 93 5.039 5.305 -8.553 1.00 1.38 C ATOM 1411 O PRO A 93 5.513 5.893 -7.577 1.00 1.33 O ATOM 1412 CB PRO A 93 4.562 6.883 -10.405 1.00 1.52 C ATOM 1413 CG PRO A 93 3.503 7.894 -10.669 1.00 1.52 C ATOM 1414 CD PRO A 93 2.743 8.053 -9.377 1.00 1.42 C ATOM 0 HA PRO A 93 3.400 5.078 -9.829 1.00 1.42 H new ATOM 0 HB2 PRO A 93 5.462 7.347 -10.001 1.00 1.52 H new ATOM 0 HB3 PRO A 93 4.853 6.365 -11.319 1.00 1.52 H new ATOM 0 HG2 PRO A 93 3.939 8.842 -10.983 1.00 1.52 H new ATOM 0 HG3 PRO A 93 2.842 7.566 -11.471 1.00 1.52 H new ATOM 0 HD2 PRO A 93 3.091 8.918 -8.813 1.00 1.42 H new ATOM 0 HD3 PRO A 93 1.677 8.196 -9.555 1.00 1.42 H new ATOM 1422 N LEU A 94 5.459 4.121 -8.965 1.00 1.42 N ATOM 1423 CA LEU A 94 6.517 3.391 -8.290 1.00 1.41 C ATOM 1424 C LEU A 94 7.747 3.413 -9.181 1.00 1.50 C ATOM 1425 O LEU A 94 8.043 2.454 -9.898 1.00 1.53 O ATOM 1426 CB LEU A 94 6.093 1.948 -7.973 1.00 1.39 C ATOM 1427 CG LEU A 94 7.229 0.990 -7.570 1.00 1.43 C ATOM 1428 CD1 LEU A 94 7.915 1.453 -6.296 1.00 1.38 C ATOM 1429 CD2 LEU A 94 6.698 -0.423 -7.401 1.00 1.46 C ATOM 0 H LEU A 94 5.075 3.639 -9.778 1.00 1.42 H new ATOM 0 HA LEU A 94 6.737 3.867 -7.335 1.00 1.41 H new ATOM 0 HB2 LEU A 94 5.361 1.973 -7.166 1.00 1.39 H new ATOM 0 HB3 LEU A 94 5.589 1.537 -8.848 1.00 1.39 H new ATOM 0 HG LEU A 94 7.969 0.994 -8.371 1.00 1.43 H new ATOM 0 HD11 LEU A 94 8.712 0.756 -6.038 1.00 1.38 H new ATOM 0 HD12 LEU A 94 8.337 2.446 -6.450 1.00 1.38 H new ATOM 0 HD13 LEU A 94 7.188 1.490 -5.484 1.00 1.38 H new ATOM 0 HD21 LEU A 94 7.514 -1.087 -7.116 1.00 1.46 H new ATOM 0 HD22 LEU A 94 5.933 -0.434 -6.624 1.00 1.46 H new ATOM 0 HD23 LEU A 94 6.265 -0.764 -8.341 1.00 1.46 H new ATOM 1441 N GLU A 95 8.434 4.536 -9.173 1.00 1.54 N ATOM 1442 CA GLU A 95 9.620 4.698 -9.985 1.00 1.63 C ATOM 1443 C GLU A 95 10.865 4.446 -9.152 1.00 1.62 C ATOM 1444 O GLU A 95 11.101 5.114 -8.145 1.00 1.54 O ATOM 1445 CB GLU A 95 9.657 6.096 -10.586 1.00 1.61 C ATOM 1446 CG GLU A 95 8.274 6.692 -10.821 1.00 1.66 C ATOM 1447 CD GLU A 95 8.020 7.014 -12.274 1.00 1.76 C ATOM 1448 OE1 GLU A 95 7.621 6.102 -13.027 1.00 1.89 O ATOM 1449 OE2 GLU A 95 8.208 8.186 -12.665 1.00 1.92 O ATOM 0 H GLU A 95 8.190 5.352 -8.611 1.00 1.54 H new ATOM 0 HA GLU A 95 9.593 3.971 -10.797 1.00 1.63 H new ATOM 0 HB2 GLU A 95 10.220 6.753 -9.923 1.00 1.61 H new ATOM 0 HB3 GLU A 95 10.195 6.062 -11.533 1.00 1.61 H new ATOM 0 HG2 GLU A 95 7.516 5.992 -10.470 1.00 1.66 H new ATOM 0 HG3 GLU A 95 8.168 7.600 -10.227 1.00 1.66 H new ATOM 1456 N ASN A 96 11.644 3.473 -9.577 1.00 1.75 N ATOM 1457 CA ASN A 96 12.867 3.099 -8.885 1.00 1.79 C ATOM 1458 C ASN A 96 13.958 2.808 -9.902 1.00 1.95 C ATOM 1459 O ASN A 96 15.098 3.278 -9.712 1.00 2.00 O ATOM 1460 CB ASN A 96 12.628 1.868 -8.000 1.00 1.81 C ATOM 1461 CG ASN A 96 13.896 1.357 -7.339 1.00 1.91 C ATOM 1462 OD1 ASN A 96 14.317 1.861 -6.296 1.00 1.90 O ATOM 1463 ND2 ASN A 96 14.511 0.345 -7.936 1.00 2.16 N ATOM 1464 OXT ASN A 96 13.659 2.122 -10.903 1.00 2.10 O ATOM 0 H ASN A 96 11.450 2.918 -10.410 1.00 1.75 H new ATOM 0 HA ASN A 96 13.180 3.925 -8.247 1.00 1.79 H new ATOM 0 HB2 ASN A 96 11.898 2.117 -7.230 1.00 1.81 H new ATOM 0 HB3 ASN A 96 12.194 1.072 -8.604 1.00 1.81 H new ATOM 0 HD21 ASN A 96 15.364 -0.043 -7.533 1.00 2.16 H new ATOM 0 HD22 ASN A 96 14.131 -0.045 -8.799 1.00 2.16 H new TER 1471 ASN A 96 ATOM 1472 N PRO B 97 9.437 -4.566 -13.551 1.00 5.31 N ATOM 1473 CA PRO B 97 9.381 -3.294 -12.806 1.00 4.47 C ATOM 1474 C PRO B 97 10.029 -3.466 -11.444 1.00 3.48 C ATOM 1475 O PRO B 97 10.296 -4.592 -11.037 1.00 3.61 O ATOM 1476 CB PRO B 97 7.928 -2.871 -12.654 1.00 4.90 C ATOM 1477 CG PRO B 97 7.166 -4.026 -13.206 1.00 5.81 C ATOM 1478 CD PRO B 97 8.104 -4.736 -14.155 1.00 6.03 C ATOM 0 HA PRO B 97 9.924 -2.522 -13.351 1.00 4.47 H new ATOM 0 HB2 PRO B 97 7.672 -2.684 -11.611 1.00 4.90 H new ATOM 0 HB3 PRO B 97 7.718 -1.953 -13.203 1.00 4.90 H new ATOM 0 HG2 PRO B 97 6.840 -4.694 -12.409 1.00 5.81 H new ATOM 0 HG3 PRO B 97 6.269 -3.688 -13.725 1.00 5.81 H new ATOM 0 HD2 PRO B 97 7.845 -5.790 -14.255 1.00 6.03 H new ATOM 0 HD3 PRO B 97 8.062 -4.301 -15.154 1.00 6.03 H new ATOM 1488 N PHE B 98 10.273 -2.342 -10.760 1.00 2.95 N ATOM 1489 CA PHE B 98 10.893 -2.298 -9.421 1.00 2.19 C ATOM 1490 C PHE B 98 12.159 -3.166 -9.305 1.00 2.34 C ATOM 1491 O PHE B 98 12.692 -3.670 -10.298 1.00 3.29 O ATOM 1492 CB PHE B 98 9.878 -2.641 -8.304 1.00 2.00 C ATOM 1493 CG PHE B 98 9.232 -4.000 -8.401 1.00 1.87 C ATOM 1494 CD1 PHE B 98 9.899 -5.130 -7.951 1.00 2.36 C ATOM 1495 CD2 PHE B 98 7.962 -4.147 -8.938 1.00 2.19 C ATOM 1496 CE1 PHE B 98 9.311 -6.377 -8.034 1.00 3.10 C ATOM 1497 CE2 PHE B 98 7.371 -5.393 -9.022 1.00 2.98 C ATOM 1498 CZ PHE B 98 8.037 -6.503 -8.589 1.00 3.41 C ATOM 0 H PHE B 98 10.042 -1.418 -11.124 1.00 2.95 H new ATOM 0 HA PHE B 98 11.214 -1.266 -9.282 1.00 2.19 H new ATOM 0 HB2 PHE B 98 10.386 -2.569 -7.342 1.00 2.00 H new ATOM 0 HB3 PHE B 98 9.093 -1.885 -8.307 1.00 2.00 H new ATOM 0 HD1 PHE B 98 10.889 -5.034 -7.531 1.00 2.36 H new ATOM 0 HD2 PHE B 98 7.429 -3.278 -9.294 1.00 2.19 H new ATOM 0 HE1 PHE B 98 9.834 -7.249 -7.671 1.00 3.10 H new ATOM 0 HE2 PHE B 98 6.377 -5.489 -9.432 1.00 2.98 H new ATOM 0 HZ PHE B 98 7.579 -7.477 -8.676 1.00 3.41 H new ATOM 1508 N ASP B 99 12.648 -3.305 -8.079 1.00 2.17 N ATOM 1509 CA ASP B 99 13.847 -4.083 -7.796 1.00 3.06 C ATOM 1510 C ASP B 99 13.900 -4.399 -6.306 1.00 2.89 C ATOM 1511 O ASP B 99 13.301 -3.675 -5.511 1.00 3.22 O ATOM 1512 CB ASP B 99 15.097 -3.294 -8.218 1.00 3.92 C ATOM 1513 CG ASP B 99 16.391 -4.054 -7.994 1.00 4.49 C ATOM 1514 OD1 ASP B 99 16.411 -5.287 -8.222 1.00 5.16 O ATOM 1515 OD2 ASP B 99 17.389 -3.433 -7.574 1.00 4.56 O ATOM 0 H ASP B 99 12.225 -2.882 -7.253 1.00 2.17 H new ATOM 0 HA ASP B 99 13.819 -5.015 -8.361 1.00 3.06 H new ATOM 0 HB2 ASP B 99 15.015 -3.034 -9.273 1.00 3.92 H new ATOM 0 HB3 ASP B 99 15.132 -2.358 -7.661 1.00 3.92 H new ATOM 1520 N GLU B 100 14.584 -5.491 -5.953 1.00 2.79 N ATOM 1521 CA GLU B 100 14.749 -5.925 -4.558 1.00 2.70 C ATOM 1522 C GLU B 100 13.470 -6.548 -3.988 1.00 2.21 C ATOM 1523 O GLU B 100 12.371 -6.353 -4.515 1.00 2.92 O ATOM 1524 CB GLU B 100 15.212 -4.763 -3.675 1.00 3.56 C ATOM 1525 CG GLU B 100 16.557 -4.184 -4.080 1.00 4.43 C ATOM 1526 CD GLU B 100 17.718 -4.971 -3.520 1.00 4.76 C ATOM 1527 OE1 GLU B 100 17.968 -4.872 -2.303 1.00 4.88 O ATOM 1528 OE2 GLU B 100 18.386 -5.694 -4.290 1.00 5.22 O ATOM 0 H GLU B 100 15.042 -6.103 -6.628 1.00 2.79 H new ATOM 0 HA GLU B 100 15.518 -6.698 -4.558 1.00 2.70 H new ATOM 0 HB2 GLU B 100 14.462 -3.973 -3.708 1.00 3.56 H new ATOM 0 HB3 GLU B 100 15.270 -5.105 -2.642 1.00 3.56 H new ATOM 0 HG2 GLU B 100 16.627 -4.163 -5.168 1.00 4.43 H new ATOM 0 HG3 GLU B 100 16.623 -3.152 -3.737 1.00 4.43 H new ATOM 1535 N ASP B 101 13.639 -7.326 -2.924 1.00 1.79 N ATOM 1536 CA ASP B 101 12.528 -7.988 -2.245 1.00 2.23 C ATOM 1537 C ASP B 101 12.977 -8.436 -0.858 1.00 2.11 C ATOM 1538 O ASP B 101 12.663 -7.793 0.147 1.00 2.78 O ATOM 1539 CB ASP B 101 12.030 -9.197 -3.046 1.00 3.00 C ATOM 1540 CG ASP B 101 10.672 -9.692 -2.579 1.00 3.72 C ATOM 1541 OD1 ASP B 101 10.599 -10.386 -1.541 1.00 4.23 O ATOM 1542 OD2 ASP B 101 9.667 -9.397 -3.257 1.00 4.18 O ATOM 0 H ASP B 101 14.550 -7.516 -2.507 1.00 1.79 H new ATOM 0 HA ASP B 101 11.705 -7.279 -2.157 1.00 2.23 H new ATOM 0 HB2 ASP B 101 11.971 -8.929 -4.101 1.00 3.00 H new ATOM 0 HB3 ASP B 101 12.755 -10.006 -2.963 1.00 3.00 H new ATOM 1547 N GLN B 102 13.742 -9.526 -0.826 1.00 1.73 N ATOM 1548 CA GLN B 102 14.266 -10.088 0.417 1.00 1.74 C ATOM 1549 C GLN B 102 13.134 -10.436 1.388 1.00 1.55 C ATOM 1550 O GLN B 102 12.132 -11.029 0.988 1.00 2.15 O ATOM 1551 CB GLN B 102 15.269 -9.124 1.062 1.00 2.18 C ATOM 1552 CG GLN B 102 16.578 -9.003 0.292 1.00 2.55 C ATOM 1553 CD GLN B 102 16.505 -8.016 -0.859 1.00 3.18 C ATOM 1554 OE1 GLN B 102 16.181 -8.377 -1.990 1.00 3.61 O ATOM 1555 NE2 GLN B 102 16.809 -6.765 -0.575 1.00 3.81 N ATOM 0 H GLN B 102 14.016 -10.044 -1.661 1.00 1.73 H new ATOM 0 HA GLN B 102 14.789 -11.014 0.177 1.00 1.74 H new ATOM 0 HB2 GLN B 102 14.812 -8.138 1.143 1.00 2.18 H new ATOM 0 HB3 GLN B 102 15.483 -9.460 2.076 1.00 2.18 H new ATOM 0 HG2 GLN B 102 17.368 -8.695 0.977 1.00 2.55 H new ATOM 0 HG3 GLN B 102 16.856 -9.983 -0.095 1.00 2.55 H new ATOM 0 HE21 GLN B 102 17.073 -6.508 0.376 1.00 3.81 H new ATOM 0 HE22 GLN B 102 16.781 -6.055 -1.306 1.00 3.81 H new ATOM 1564 N HIS B 103 13.290 -10.078 2.658 1.00 1.29 N ATOM 1565 CA HIS B 103 12.274 -10.368 3.661 1.00 1.54 C ATOM 1566 C HIS B 103 11.122 -9.376 3.558 1.00 1.27 C ATOM 1567 O HIS B 103 11.083 -8.369 4.267 1.00 1.88 O ATOM 1568 CB HIS B 103 12.883 -10.332 5.065 1.00 2.46 C ATOM 1569 CG HIS B 103 11.986 -10.890 6.132 1.00 3.16 C ATOM 1570 ND1 HIS B 103 11.503 -10.103 7.151 1.00 3.79 N ATOM 1571 CD2 HIS B 103 11.534 -12.155 6.301 1.00 3.79 C ATOM 1572 CE1 HIS B 103 10.776 -10.902 7.912 1.00 4.60 C ATOM 1573 NE2 HIS B 103 10.765 -12.153 7.438 1.00 4.61 N ATOM 0 H HIS B 103 14.109 -9.587 3.016 1.00 1.29 H new ATOM 0 HA HIS B 103 11.885 -11.369 3.476 1.00 1.54 H new ATOM 0 HB2 HIS B 103 13.817 -10.893 5.060 1.00 2.46 H new ATOM 0 HB3 HIS B 103 13.132 -9.301 5.316 1.00 2.46 H new ATOM 0 HD2 HIS B 103 11.739 -13.003 5.664 1.00 3.79 H new ATOM 0 HE1 HIS B 103 10.256 -10.585 8.804 1.00 4.60 H new ATOM 0 HE2 HIS B 103 10.278 -12.952 7.844 1.00 4.61 H new ATOM 1581 N THR B 104 10.192 -9.661 2.668 1.00 1.15 N ATOM 1582 CA THR B 104 9.047 -8.798 2.470 1.00 1.67 C ATOM 1583 C THR B 104 7.836 -9.319 3.230 1.00 1.52 C ATOM 1584 O THR B 104 7.710 -10.522 3.472 1.00 1.82 O ATOM 1585 CB THR B 104 8.691 -8.682 0.978 1.00 2.34 C ATOM 1586 OG1 THR B 104 8.730 -9.975 0.363 1.00 2.54 O ATOM 1587 CG2 THR B 104 9.648 -7.749 0.259 1.00 3.10 C ATOM 0 H THR B 104 10.208 -10.487 2.069 1.00 1.15 H new ATOM 0 HA THR B 104 9.317 -7.813 2.851 1.00 1.67 H new ATOM 0 HB THR B 104 7.684 -8.271 0.902 1.00 2.34 H new ATOM 0 HG1 THR B 104 9.445 -9.997 -0.307 1.00 2.54 H new ATOM 0 HG21 THR B 104 9.373 -7.686 -0.794 1.00 3.10 H new ATOM 0 HG22 THR B 104 9.595 -6.757 0.708 1.00 3.10 H new ATOM 0 HG23 THR B 104 10.664 -8.133 0.346 1.00 3.10 H new ATOM 1595 N GLN B 105 6.953 -8.415 3.616 1.00 1.14 N ATOM 1596 CA GLN B 105 5.744 -8.798 4.327 1.00 1.00 C ATOM 1597 C GLN B 105 4.585 -8.817 3.344 1.00 0.95 C ATOM 1598 O GLN B 105 4.447 -7.915 2.518 1.00 1.01 O ATOM 1599 CB GLN B 105 5.457 -7.848 5.491 1.00 0.86 C ATOM 1600 CG GLN B 105 6.098 -8.269 6.805 1.00 1.15 C ATOM 1601 CD GLN B 105 7.602 -8.068 6.814 1.00 1.77 C ATOM 1602 OE1 GLN B 105 8.089 -6.970 7.076 1.00 2.49 O ATOM 1603 NE2 GLN B 105 8.345 -9.128 6.547 1.00 2.35 N ATOM 0 H GLN B 105 7.049 -7.413 3.450 1.00 1.14 H new ATOM 0 HA GLN B 105 5.879 -9.792 4.754 1.00 1.00 H new ATOM 0 HB2 GLN B 105 5.811 -6.851 5.229 1.00 0.86 H new ATOM 0 HB3 GLN B 105 4.378 -7.777 5.631 1.00 0.86 H new ATOM 0 HG2 GLN B 105 5.654 -7.698 7.620 1.00 1.15 H new ATOM 0 HG3 GLN B 105 5.875 -9.319 6.993 1.00 1.15 H new ATOM 0 HE21 GLN B 105 7.901 -10.021 6.334 1.00 2.35 H new ATOM 0 HE22 GLN B 105 9.362 -9.053 6.554 1.00 2.35 H new ATOM 1612 N ILE B 106 3.772 -9.851 3.407 1.00 0.89 N ATOM 1613 CA ILE B 106 2.652 -9.988 2.492 1.00 0.86 C ATOM 1614 C ILE B 106 1.363 -10.287 3.244 1.00 0.77 C ATOM 1615 O ILE B 106 1.291 -11.251 4.011 1.00 0.81 O ATOM 1616 CB ILE B 106 2.921 -11.122 1.486 1.00 1.01 C ATOM 1617 CG1 ILE B 106 4.199 -10.852 0.691 1.00 1.40 C ATOM 1618 CG2 ILE B 106 1.736 -11.311 0.545 1.00 1.68 C ATOM 1619 CD1 ILE B 106 4.717 -12.062 -0.054 1.00 1.61 C ATOM 0 H ILE B 106 3.864 -10.611 4.082 1.00 0.89 H new ATOM 0 HA ILE B 106 2.541 -9.042 1.961 1.00 0.86 H new ATOM 0 HB ILE B 106 3.057 -12.044 2.051 1.00 1.01 H new ATOM 0 HG12 ILE B 106 4.010 -10.050 -0.023 1.00 1.40 H new ATOM 0 HG13 ILE B 106 4.972 -10.497 1.372 1.00 1.40 H new ATOM 0 HG21 ILE B 106 1.952 -12.118 -0.155 1.00 1.68 H new ATOM 0 HG22 ILE B 106 0.848 -11.562 1.125 1.00 1.68 H new ATOM 0 HG23 ILE B 106 1.560 -10.388 -0.008 1.00 1.68 H new ATOM 0 HD11 ILE B 106 5.625 -11.795 -0.595 1.00 1.61 H new ATOM 0 HD12 ILE B 106 4.938 -12.859 0.656 1.00 1.61 H new ATOM 0 HD13 ILE B 106 3.961 -12.405 -0.761 1.00 1.61 H new ATOM 1631 N THR B 107 0.353 -9.459 3.035 1.00 0.68 N ATOM 1632 CA THR B 107 -0.932 -9.649 3.681 1.00 0.63 C ATOM 1633 C THR B 107 -2.051 -9.000 2.871 1.00 0.57 C ATOM 1634 O THR B 107 -1.981 -7.819 2.517 1.00 0.56 O ATOM 1635 CB THR B 107 -0.930 -9.077 5.121 1.00 0.64 C ATOM 1636 OG1 THR B 107 0.088 -9.720 5.903 1.00 0.80 O ATOM 1637 CG2 THR B 107 -2.281 -9.271 5.795 1.00 0.62 C ATOM 0 H THR B 107 0.400 -8.646 2.420 1.00 0.68 H new ATOM 0 HA THR B 107 -1.111 -10.723 3.735 1.00 0.63 H new ATOM 0 HB THR B 107 -0.727 -8.008 5.055 1.00 0.64 H new ATOM 0 HG1 THR B 107 0.084 -9.352 6.811 1.00 0.80 H new ATOM 0 HG21 THR B 107 -2.247 -8.859 6.804 1.00 0.62 H new ATOM 0 HG22 THR B 107 -3.052 -8.758 5.220 1.00 0.62 H new ATOM 0 HG23 THR B 107 -2.513 -10.335 5.845 1.00 0.62 H new ATOM 1645 N LYS B 108 -3.060 -9.793 2.533 1.00 0.65 N ATOM 1646 CA LYS B 108 -4.211 -9.287 1.807 1.00 0.68 C ATOM 1647 C LYS B 108 -5.123 -8.577 2.795 1.00 0.58 C ATOM 1648 O LYS B 108 -5.323 -9.058 3.914 1.00 0.68 O ATOM 1649 CB LYS B 108 -4.947 -10.429 1.103 1.00 0.91 C ATOM 1650 CG LYS B 108 -4.162 -11.040 -0.048 1.00 1.20 C ATOM 1651 CD LYS B 108 -4.879 -12.243 -0.637 1.00 1.70 C ATOM 1652 CE LYS B 108 -4.031 -12.954 -1.684 1.00 2.51 C ATOM 1653 NZ LYS B 108 -4.066 -12.265 -3.000 1.00 3.39 N ATOM 0 H LYS B 108 -3.102 -10.788 2.751 1.00 0.65 H new ATOM 0 HA LYS B 108 -3.889 -8.586 1.037 1.00 0.68 H new ATOM 0 HB2 LYS B 108 -5.174 -11.208 1.831 1.00 0.91 H new ATOM 0 HB3 LYS B 108 -5.900 -10.058 0.726 1.00 0.91 H new ATOM 0 HG2 LYS B 108 -4.010 -10.290 -0.824 1.00 1.20 H new ATOM 0 HG3 LYS B 108 -3.175 -11.340 0.303 1.00 1.20 H new ATOM 0 HD2 LYS B 108 -5.132 -12.941 0.161 1.00 1.70 H new ATOM 0 HD3 LYS B 108 -5.818 -11.921 -1.088 1.00 1.70 H new ATOM 0 HE2 LYS B 108 -3.000 -13.013 -1.335 1.00 2.51 H new ATOM 0 HE3 LYS B 108 -4.387 -13.978 -1.803 1.00 2.51 H new ATOM 0 HZ1 LYS B 108 -3.305 -12.634 -3.605 1.00 3.39 H new ATOM 0 HZ2 LYS B 108 -4.985 -12.435 -3.456 1.00 3.39 H new ATOM 0 HZ3 LYS B 108 -3.932 -11.243 -2.860 1.00 3.39 H new ATOM 1667 N VAL B 109 -5.675 -7.446 2.400 1.00 0.51 N ATOM 1668 CA VAL B 109 -6.514 -6.673 3.283 1.00 0.55 C ATOM 1669 C VAL B 109 -7.860 -6.374 2.630 1.00 0.76 C ATOM 1670 O VAL B 109 -7.935 -6.400 1.379 1.00 1.40 O ATOM 1671 CB VAL B 109 -5.778 -5.372 3.674 1.00 0.56 C ATOM 1672 CG1 VAL B 109 -5.376 -4.597 2.428 1.00 0.59 C ATOM 1673 CG2 VAL B 109 -6.611 -4.512 4.612 1.00 1.21 C ATOM 1674 OXT VAL B 109 -8.844 -6.153 3.364 1.00 1.18 O ATOM 0 H VAL B 109 -5.555 -7.045 1.470 1.00 0.51 H new ATOM 0 HA VAL B 109 -6.716 -7.249 4.186 1.00 0.55 H new ATOM 0 HB VAL B 109 -4.874 -5.649 4.216 1.00 0.56 H new ATOM 0 HG11 VAL B 109 -4.859 -3.683 2.719 1.00 0.59 H new ATOM 0 HG12 VAL B 109 -4.714 -5.210 1.816 1.00 0.59 H new ATOM 0 HG13 VAL B 109 -6.267 -4.342 1.855 1.00 0.59 H new ATOM 0 HG21 VAL B 109 -6.058 -3.607 4.863 1.00 1.21 H new ATOM 0 HG22 VAL B 109 -7.547 -4.242 4.123 1.00 1.21 H new ATOM 0 HG23 VAL B 109 -6.826 -5.070 5.523 1.00 1.21 H new TER 1684 VAL B 109