USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 847 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 ASN : amide:sc= -1! C(o=-3.5!,f=-10!) USER MOD Set 1.2: A 65 SER OG : rot -161:sc= -2.48! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.049) USER MOD Single : A 7 GLN : amide:sc= -0.425 X(o=-0.43,f=-0.15) USER MOD Single : A 13 HIS : no HD1:sc= -0.848 K(o=-0.85,f=-1.8!) USER MOD Single : A 14 GLN : amide:sc= 0.417 K(o=0.42,f=-0.34) USER MOD Single : A 17 LYS NZ :NH3+ -166:sc= 1.81 (180deg=1.51) USER MOD Single : A 19 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00068) USER MOD Single : A 21 SER OG : rot 80:sc= -0.033 USER MOD Single : A 22 THR OG1 : rot -76:sc= -0.809 USER MOD Single : A 23 TYR OH : rot 130:sc=-0.00581 USER MOD Single : A 28 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0691) USER MOD Single : A 29 MET CE :methyl -120:sc= -1.38 (180deg=-3.33!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -2.12! K(o=-2.1!,f=-0.18) USER MOD Single : A 41 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00126) USER MOD Single : A 45 ASN : amide:sc=-0.00483 X(o=-0.0048,f=-0.019) USER MOD Single : A 50 SER OG : rot 180:sc= -0.125 USER MOD Single : A 51 LYS NZ :NH3+ -168:sc=-0.00769 (180deg=-0.178) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -2.36 K(o=-2.4,f=-5!) USER MOD Single : A 75 LYS NZ :NH3+ -139:sc= 1.16 (180deg=0.402) USER MOD Single : A 76 GLN : amide:sc= 0.00154 X(o=0.0015,f=0) USER MOD Single : A 77 LYS NZ :NH3+ -150:sc= 0.985 (180deg=0.262) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 172:sc=-0.00325 (180deg=-0.0825) USER MOD Single : A 95 LYS NZ :NH3+ -165:sc= 1.27 (180deg=1.13) USER MOD Single : A 96 TYR OH : rot 140:sc= -0.473 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc=-0.00291 K(o=-0.0029,f=-0.87) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.551 -1.665 11.869 1.00 52.02 N ATOM 2 CA MET A 1 -16.261 -2.136 11.290 1.00 0.41 C ATOM 3 C MET A 1 -16.500 -3.237 10.244 1.00 35.14 C ATOM 4 O MET A 1 -16.906 -4.347 10.585 1.00 71.01 O ATOM 5 CB MET A 1 -15.348 -2.660 12.410 1.00 44.52 C ATOM 6 CG MET A 1 -13.938 -3.004 11.956 1.00 24.51 C ATOM 7 SD MET A 1 -13.081 -1.581 11.252 1.00 3.45 S ATOM 8 CE MET A 1 -11.434 -2.254 11.009 1.00 21.31 C ATOM 0 H1 MET A 1 -17.365 -0.922 12.573 1.00 52.02 H new ATOM 0 H2 MET A 1 -18.152 -1.282 11.112 1.00 52.02 H new ATOM 0 H3 MET A 1 -18.037 -2.462 12.327 1.00 52.02 H new ATOM 0 HA MET A 1 -15.776 -1.295 10.794 1.00 0.41 H new ATOM 0 HB2 MET A 1 -15.291 -1.909 13.198 1.00 44.52 H new ATOM 0 HB3 MET A 1 -15.803 -3.548 12.849 1.00 44.52 H new ATOM 0 HG2 MET A 1 -13.369 -3.386 12.803 1.00 24.51 H new ATOM 0 HG3 MET A 1 -13.982 -3.802 11.215 1.00 24.51 H new ATOM 0 HE1 MET A 1 -10.788 -1.489 10.578 1.00 21.31 H new ATOM 0 HE2 MET A 1 -11.027 -2.575 11.968 1.00 21.31 H new ATOM 0 HE3 MET A 1 -11.486 -3.107 10.333 1.00 21.31 H new ATOM 20 N ASP A 2 -16.259 -2.921 8.974 1.00 70.13 N ATOM 21 CA ASP A 2 -16.453 -3.880 7.878 1.00 45.31 C ATOM 22 C ASP A 2 -15.485 -5.078 7.978 1.00 72.21 C ATOM 23 O ASP A 2 -14.302 -4.908 8.286 1.00 22.42 O ATOM 24 CB ASP A 2 -16.242 -3.178 6.530 1.00 21.32 C ATOM 25 CG ASP A 2 -17.083 -1.923 6.378 1.00 33.34 C ATOM 26 OD1 ASP A 2 -16.665 -0.858 6.882 1.00 4.40 O ATOM 27 OD2 ASP A 2 -18.165 -1.994 5.753 1.00 73.10 O ATOM 0 H ASP A 2 -15.927 -2.005 8.673 1.00 70.13 H new ATOM 0 HA ASP A 2 -17.472 -4.260 7.955 1.00 45.31 H new ATOM 0 HB2 ASP A 2 -15.189 -2.918 6.422 1.00 21.32 H new ATOM 0 HB3 ASP A 2 -16.484 -3.871 5.724 1.00 21.32 H new ATOM 32 N GLN A 3 -15.988 -6.287 7.701 1.00 61.30 N ATOM 33 CA GLN A 3 -15.133 -7.483 7.617 1.00 1.24 C ATOM 34 C GLN A 3 -14.049 -7.289 6.548 1.00 2.14 C ATOM 35 O GLN A 3 -12.921 -7.756 6.700 1.00 43.13 O ATOM 36 CB GLN A 3 -15.969 -8.738 7.301 1.00 64.30 C ATOM 37 CG GLN A 3 -16.712 -9.321 8.502 1.00 12.12 C ATOM 38 CD GLN A 3 -15.781 -10.005 9.499 1.00 42.54 C ATOM 39 OE1 GLN A 3 -15.504 -11.197 9.392 1.00 54.11 O ATOM 40 NE2 GLN A 3 -15.299 -9.269 10.485 1.00 2.33 N ATOM 0 H GLN A 3 -16.978 -6.465 7.531 1.00 61.30 H new ATOM 0 HA GLN A 3 -14.655 -7.625 8.586 1.00 1.24 H new ATOM 0 HB2 GLN A 3 -16.694 -8.491 6.526 1.00 64.30 H new ATOM 0 HB3 GLN A 3 -15.311 -9.504 6.890 1.00 64.30 H new ATOM 0 HG2 GLN A 3 -17.256 -8.524 9.008 1.00 12.12 H new ATOM 0 HG3 GLN A 3 -17.452 -10.040 8.151 1.00 12.12 H new ATOM 0 HE21 GLN A 3 -15.544 -8.281 10.551 1.00 2.33 H new ATOM 0 HE22 GLN A 3 -14.681 -9.689 11.180 1.00 2.33 H new ATOM 49 N PHE A 4 -14.410 -6.581 5.478 1.00 44.04 N ATOM 50 CA PHE A 4 -13.462 -6.211 4.422 1.00 25.54 C ATOM 51 C PHE A 4 -12.217 -5.531 5.008 1.00 42.12 C ATOM 52 O PHE A 4 -11.086 -5.912 4.705 1.00 2.14 O ATOM 53 CB PHE A 4 -14.155 -5.284 3.408 1.00 63.22 C ATOM 54 CG PHE A 4 -13.209 -4.565 2.474 1.00 43.45 C ATOM 55 CD1 PHE A 4 -12.474 -5.264 1.527 1.00 45.41 C ATOM 56 CD2 PHE A 4 -13.058 -3.185 2.544 1.00 43.23 C ATOM 57 CE1 PHE A 4 -11.611 -4.604 0.675 1.00 55.33 C ATOM 58 CE2 PHE A 4 -12.196 -2.522 1.694 1.00 10.02 C ATOM 59 CZ PHE A 4 -11.473 -3.232 0.758 1.00 74.21 C ATOM 0 H PHE A 4 -15.361 -6.249 5.317 1.00 44.04 H new ATOM 0 HA PHE A 4 -13.135 -7.119 3.915 1.00 25.54 H new ATOM 0 HB2 PHE A 4 -14.855 -5.873 2.815 1.00 63.22 H new ATOM 0 HB3 PHE A 4 -14.742 -4.544 3.952 1.00 63.22 H new ATOM 0 HD1 PHE A 4 -12.578 -6.337 1.456 1.00 45.41 H new ATOM 0 HD2 PHE A 4 -13.623 -2.624 3.274 1.00 43.23 H new ATOM 0 HE1 PHE A 4 -11.044 -5.160 -0.056 1.00 55.33 H new ATOM 0 HE2 PHE A 4 -12.088 -1.450 1.762 1.00 10.02 H new ATOM 0 HZ PHE A 4 -10.799 -2.715 0.090 1.00 74.21 H new ATOM 69 N LEU A 5 -12.443 -4.533 5.858 1.00 75.24 N ATOM 70 CA LEU A 5 -11.358 -3.805 6.516 1.00 33.04 C ATOM 71 C LEU A 5 -10.512 -4.744 7.386 1.00 34.35 C ATOM 72 O LEU A 5 -9.290 -4.796 7.257 1.00 72.12 O ATOM 73 CB LEU A 5 -11.937 -2.676 7.374 1.00 41.10 C ATOM 74 CG LEU A 5 -12.769 -1.633 6.611 1.00 52.21 C ATOM 75 CD1 LEU A 5 -13.402 -0.641 7.579 1.00 42.35 C ATOM 76 CD2 LEU A 5 -11.910 -0.910 5.575 1.00 25.15 C ATOM 0 H LEU A 5 -13.376 -4.207 6.110 1.00 75.24 H new ATOM 0 HA LEU A 5 -10.712 -3.382 5.746 1.00 33.04 H new ATOM 0 HB2 LEU A 5 -12.561 -3.116 8.152 1.00 41.10 H new ATOM 0 HB3 LEU A 5 -11.115 -2.165 7.876 1.00 41.10 H new ATOM 0 HG LEU A 5 -13.570 -2.151 6.083 1.00 52.21 H new ATOM 0 HD11 LEU A 5 -13.987 0.090 7.020 1.00 42.35 H new ATOM 0 HD12 LEU A 5 -14.053 -1.174 8.272 1.00 42.35 H new ATOM 0 HD13 LEU A 5 -12.619 -0.128 8.138 1.00 42.35 H new ATOM 0 HD21 LEU A 5 -12.518 -0.176 5.046 1.00 25.15 H new ATOM 0 HD22 LEU A 5 -11.085 -0.404 6.076 1.00 25.15 H new ATOM 0 HD23 LEU A 5 -11.513 -1.633 4.863 1.00 25.15 H new ATOM 88 N VAL A 6 -11.179 -5.492 8.260 1.00 24.23 N ATOM 89 CA VAL A 6 -10.495 -6.419 9.169 1.00 5.44 C ATOM 90 C VAL A 6 -9.614 -7.424 8.400 1.00 23.54 C ATOM 91 O VAL A 6 -8.458 -7.654 8.760 1.00 14.43 O ATOM 92 CB VAL A 6 -11.512 -7.195 10.044 1.00 50.51 C ATOM 93 CG1 VAL A 6 -10.793 -8.070 11.074 1.00 55.32 C ATOM 94 CG2 VAL A 6 -12.483 -6.230 10.723 1.00 24.30 C ATOM 0 H VAL A 6 -12.194 -5.477 8.361 1.00 24.23 H new ATOM 0 HA VAL A 6 -9.855 -5.814 9.812 1.00 5.44 H new ATOM 0 HB VAL A 6 -12.088 -7.854 9.395 1.00 50.51 H new ATOM 0 HG11 VAL A 6 -11.529 -8.604 11.675 1.00 55.32 H new ATOM 0 HG12 VAL A 6 -10.155 -8.788 10.559 1.00 55.32 H new ATOM 0 HG13 VAL A 6 -10.182 -7.442 11.722 1.00 55.32 H new ATOM 0 HG21 VAL A 6 -13.189 -6.793 11.333 1.00 24.30 H new ATOM 0 HG22 VAL A 6 -11.926 -5.540 11.357 1.00 24.30 H new ATOM 0 HG23 VAL A 6 -13.027 -5.667 9.964 1.00 24.30 H new ATOM 104 N GLN A 7 -10.167 -8.000 7.332 1.00 21.14 N ATOM 105 CA GLN A 7 -9.446 -8.985 6.514 1.00 52.34 C ATOM 106 C GLN A 7 -8.206 -8.379 5.835 1.00 54.54 C ATOM 107 O GLN A 7 -7.089 -8.867 6.031 1.00 22.45 O ATOM 108 CB GLN A 7 -10.387 -9.593 5.461 1.00 32.34 C ATOM 109 CG GLN A 7 -11.427 -10.550 6.044 1.00 73.30 C ATOM 110 CD GLN A 7 -10.796 -11.780 6.678 1.00 45.43 C ATOM 111 OE1 GLN A 7 -10.581 -12.795 6.021 1.00 63.10 O ATOM 112 NE2 GLN A 7 -10.497 -11.705 7.962 1.00 34.23 N ATOM 0 H GLN A 7 -11.114 -7.803 7.010 1.00 21.14 H new ATOM 0 HA GLN A 7 -9.097 -9.771 7.184 1.00 52.34 H new ATOM 0 HB2 GLN A 7 -10.901 -8.787 4.938 1.00 32.34 H new ATOM 0 HB3 GLN A 7 -9.792 -10.126 4.719 1.00 32.34 H new ATOM 0 HG2 GLN A 7 -12.021 -10.024 6.791 1.00 73.30 H new ATOM 0 HG3 GLN A 7 -12.111 -10.862 5.255 1.00 73.30 H new ATOM 0 HE21 GLN A 7 -10.688 -10.848 8.481 1.00 34.23 H new ATOM 0 HE22 GLN A 7 -10.075 -12.504 8.435 1.00 34.23 H new ATOM 121 N ILE A 8 -8.393 -7.313 5.048 1.00 54.24 N ATOM 122 CA ILE A 8 -7.269 -6.691 4.331 1.00 13.54 C ATOM 123 C ILE A 8 -6.171 -6.221 5.300 1.00 43.04 C ATOM 124 O ILE A 8 -4.989 -6.479 5.075 1.00 10.13 O ATOM 125 CB ILE A 8 -7.713 -5.505 3.425 1.00 11.12 C ATOM 126 CG1 ILE A 8 -8.382 -4.393 4.249 1.00 62.33 C ATOM 127 CG2 ILE A 8 -8.652 -5.998 2.325 1.00 43.43 C ATOM 128 CD1 ILE A 8 -8.799 -3.183 3.438 1.00 21.12 C ATOM 0 H ILE A 8 -9.297 -6.867 4.891 1.00 54.24 H new ATOM 0 HA ILE A 8 -6.864 -7.469 3.684 1.00 13.54 H new ATOM 0 HB ILE A 8 -6.821 -5.084 2.961 1.00 11.12 H new ATOM 0 HG12 ILE A 8 -9.261 -4.804 4.746 1.00 62.33 H new ATOM 0 HG13 ILE A 8 -7.694 -4.072 5.031 1.00 62.33 H new ATOM 0 HG21 ILE A 8 -8.954 -5.157 1.700 1.00 43.43 H new ATOM 0 HG22 ILE A 8 -8.138 -6.739 1.713 1.00 43.43 H new ATOM 0 HG23 ILE A 8 -9.535 -6.450 2.776 1.00 43.43 H new ATOM 0 HD11 ILE A 8 -9.262 -2.447 4.095 1.00 21.12 H new ATOM 0 HD12 ILE A 8 -7.922 -2.744 2.962 1.00 21.12 H new ATOM 0 HD13 ILE A 8 -9.513 -3.487 2.673 1.00 21.12 H new ATOM 140 N PHE A 9 -6.562 -5.563 6.395 1.00 43.01 N ATOM 141 CA PHE A 9 -5.599 -5.094 7.399 1.00 0.34 C ATOM 142 C PHE A 9 -4.819 -6.273 8.009 1.00 45.51 C ATOM 143 O PHE A 9 -3.591 -6.224 8.141 1.00 70.22 O ATOM 144 CB PHE A 9 -6.313 -4.305 8.512 1.00 71.12 C ATOM 145 CG PHE A 9 -6.994 -3.036 8.047 1.00 45.14 C ATOM 146 CD1 PHE A 9 -6.684 -2.460 6.820 1.00 4.11 C ATOM 147 CD2 PHE A 9 -7.942 -2.416 8.849 1.00 42.52 C ATOM 148 CE1 PHE A 9 -7.306 -1.296 6.407 1.00 62.20 C ATOM 149 CE2 PHE A 9 -8.567 -1.253 8.440 1.00 50.50 C ATOM 150 CZ PHE A 9 -8.248 -0.693 7.217 1.00 35.41 C ATOM 0 H PHE A 9 -7.535 -5.343 6.610 1.00 43.01 H new ATOM 0 HA PHE A 9 -4.892 -4.433 6.897 1.00 0.34 H new ATOM 0 HB2 PHE A 9 -7.057 -4.951 8.978 1.00 71.12 H new ATOM 0 HB3 PHE A 9 -5.585 -4.050 9.283 1.00 71.12 H new ATOM 0 HD1 PHE A 9 -5.949 -2.927 6.182 1.00 4.11 H new ATOM 0 HD2 PHE A 9 -8.195 -2.848 9.806 1.00 42.52 H new ATOM 0 HE1 PHE A 9 -7.055 -0.859 5.452 1.00 62.20 H new ATOM 0 HE2 PHE A 9 -9.303 -0.783 9.075 1.00 50.50 H new ATOM 0 HZ PHE A 9 -8.735 0.216 6.895 1.00 35.41 H new ATOM 160 N ALA A 10 -5.542 -7.339 8.359 1.00 54.21 N ATOM 161 CA ALA A 10 -4.930 -8.546 8.929 1.00 55.41 C ATOM 162 C ALA A 10 -3.893 -9.166 7.976 1.00 5.22 C ATOM 163 O ALA A 10 -2.967 -9.846 8.418 1.00 54.04 O ATOM 164 CB ALA A 10 -6.006 -9.568 9.284 1.00 73.10 C ATOM 0 H ALA A 10 -6.556 -7.393 8.258 1.00 54.21 H new ATOM 0 HA ALA A 10 -4.405 -8.252 9.838 1.00 55.41 H new ATOM 0 HB1 ALA A 10 -5.538 -10.458 9.705 1.00 73.10 H new ATOM 0 HB2 ALA A 10 -6.690 -9.137 10.015 1.00 73.10 H new ATOM 0 HB3 ALA A 10 -6.560 -9.840 8.385 1.00 73.10 H new ATOM 170 N VAL A 11 -4.063 -8.938 6.672 1.00 55.03 N ATOM 171 CA VAL A 11 -3.095 -9.402 5.667 1.00 73.43 C ATOM 172 C VAL A 11 -1.892 -8.447 5.570 1.00 41.12 C ATOM 173 O VAL A 11 -0.740 -8.884 5.509 1.00 41.42 O ATOM 174 CB VAL A 11 -3.754 -9.534 4.267 1.00 65.15 C ATOM 175 CG1 VAL A 11 -2.733 -9.982 3.219 1.00 63.31 C ATOM 176 CG2 VAL A 11 -4.942 -10.498 4.313 1.00 41.11 C ATOM 0 H VAL A 11 -4.861 -8.435 6.284 1.00 55.03 H new ATOM 0 HA VAL A 11 -2.748 -10.383 5.991 1.00 73.43 H new ATOM 0 HB VAL A 11 -4.124 -8.551 3.977 1.00 65.15 H new ATOM 0 HG11 VAL A 11 -3.221 -10.066 2.248 1.00 63.31 H new ATOM 0 HG12 VAL A 11 -1.929 -9.249 3.158 1.00 63.31 H new ATOM 0 HG13 VAL A 11 -2.321 -10.950 3.503 1.00 63.31 H new ATOM 0 HG21 VAL A 11 -5.387 -10.574 3.321 1.00 41.11 H new ATOM 0 HG22 VAL A 11 -4.600 -11.482 4.634 1.00 41.11 H new ATOM 0 HG23 VAL A 11 -5.686 -10.125 5.017 1.00 41.11 H new ATOM 186 N ILE A 12 -2.171 -7.143 5.572 1.00 73.41 N ATOM 187 CA ILE A 12 -1.130 -6.111 5.444 1.00 42.54 C ATOM 188 C ILE A 12 -0.020 -6.254 6.503 1.00 60.11 C ATOM 189 O ILE A 12 1.153 -6.019 6.216 1.00 1.11 O ATOM 190 CB ILE A 12 -1.745 -4.687 5.534 1.00 52.53 C ATOM 191 CG1 ILE A 12 -2.752 -4.463 4.395 1.00 51.41 C ATOM 192 CG2 ILE A 12 -0.653 -3.617 5.498 1.00 71.34 C ATOM 193 CD1 ILE A 12 -3.477 -3.133 4.468 1.00 30.22 C ATOM 0 H ILE A 12 -3.116 -6.770 5.661 1.00 73.41 H new ATOM 0 HA ILE A 12 -0.678 -6.255 4.462 1.00 42.54 H new ATOM 0 HB ILE A 12 -2.271 -4.605 6.485 1.00 52.53 H new ATOM 0 HG12 ILE A 12 -2.228 -4.528 3.442 1.00 51.41 H new ATOM 0 HG13 ILE A 12 -3.487 -5.268 4.410 1.00 51.41 H new ATOM 0 HG21 ILE A 12 -1.109 -2.629 5.562 1.00 71.34 H new ATOM 0 HG22 ILE A 12 0.024 -3.760 6.340 1.00 71.34 H new ATOM 0 HG23 ILE A 12 -0.094 -3.699 4.566 1.00 71.34 H new ATOM 0 HD11 ILE A 12 -4.170 -3.050 3.630 1.00 30.22 H new ATOM 0 HD12 ILE A 12 -4.031 -3.072 5.405 1.00 30.22 H new ATOM 0 HD13 ILE A 12 -2.752 -2.320 4.421 1.00 30.22 H new ATOM 205 N HIS A 13 -0.390 -6.650 7.723 1.00 3.31 N ATOM 206 CA HIS A 13 0.595 -6.837 8.807 1.00 2.22 C ATOM 207 C HIS A 13 1.735 -7.809 8.423 1.00 45.34 C ATOM 208 O HIS A 13 2.792 -7.806 9.052 1.00 11.33 O ATOM 209 CB HIS A 13 -0.095 -7.328 10.089 1.00 25.14 C ATOM 210 CG HIS A 13 -0.887 -6.268 10.795 1.00 31.12 C ATOM 211 ND1 HIS A 13 -0.268 -5.294 11.542 1.00 74.24 N ATOM 212 CD2 HIS A 13 -2.226 -6.083 10.853 1.00 31.41 C ATOM 213 CE1 HIS A 13 -1.237 -4.544 12.034 1.00 74.10 C ATOM 214 NE2 HIS A 13 -2.441 -4.984 11.644 1.00 41.32 N ATOM 0 H HIS A 13 -1.354 -6.848 7.990 1.00 3.31 H new ATOM 0 HA HIS A 13 1.046 -5.860 8.983 1.00 2.22 H new ATOM 0 HB2 HIS A 13 -0.757 -8.157 9.839 1.00 25.14 H new ATOM 0 HB3 HIS A 13 0.661 -7.718 10.771 1.00 25.14 H new ATOM 0 HD2 HIS A 13 -2.981 -6.685 10.369 1.00 31.41 H new ATOM 0 HE1 HIS A 13 -1.079 -3.685 12.670 1.00 74.10 H new ATOM 0 HE2 HIS A 13 -3.345 -4.579 11.889 1.00 41.32 H new ATOM 222 N GLN A 14 1.525 -8.643 7.405 1.00 64.21 N ATOM 223 CA GLN A 14 2.562 -9.586 6.951 1.00 64.35 C ATOM 224 C GLN A 14 3.657 -8.901 6.111 1.00 23.15 C ATOM 225 O GLN A 14 4.780 -9.409 6.014 1.00 11.34 O ATOM 226 CB GLN A 14 1.939 -10.740 6.146 1.00 54.50 C ATOM 227 CG GLN A 14 1.342 -11.860 7.000 1.00 42.43 C ATOM 228 CD GLN A 14 0.216 -11.398 7.907 1.00 34.44 C ATOM 229 OE1 GLN A 14 0.436 -11.007 9.049 1.00 61.12 O ATOM 230 NE2 GLN A 14 -1.000 -11.446 7.408 1.00 72.32 N ATOM 0 H GLN A 14 0.653 -8.690 6.878 1.00 64.21 H new ATOM 0 HA GLN A 14 3.033 -9.982 7.851 1.00 64.35 H new ATOM 0 HB2 GLN A 14 1.158 -10.336 5.501 1.00 54.50 H new ATOM 0 HB3 GLN A 14 2.702 -11.165 5.494 1.00 54.50 H new ATOM 0 HG2 GLN A 14 0.969 -12.647 6.344 1.00 42.43 H new ATOM 0 HG3 GLN A 14 2.131 -12.301 7.610 1.00 42.43 H new ATOM 0 HE21 GLN A 14 -1.147 -11.776 6.454 1.00 72.32 H new ATOM 0 HE22 GLN A 14 -1.796 -11.153 7.975 1.00 72.32 H new ATOM 239 N ILE A 15 3.335 -7.761 5.506 1.00 71.34 N ATOM 240 CA ILE A 15 4.276 -7.044 4.635 1.00 21.01 C ATOM 241 C ILE A 15 5.426 -6.409 5.446 1.00 31.11 C ATOM 242 O ILE A 15 5.185 -5.556 6.301 1.00 43.14 O ATOM 243 CB ILE A 15 3.554 -5.929 3.835 1.00 71.22 C ATOM 244 CG1 ILE A 15 2.299 -6.488 3.145 1.00 70.22 C ATOM 245 CG2 ILE A 15 4.502 -5.307 2.808 1.00 74.24 C ATOM 246 CD1 ILE A 15 1.493 -5.443 2.401 1.00 24.13 C ATOM 0 H ILE A 15 2.426 -7.308 5.601 1.00 71.34 H new ATOM 0 HA ILE A 15 4.690 -7.780 3.945 1.00 21.01 H new ATOM 0 HB ILE A 15 3.244 -5.150 4.531 1.00 71.22 H new ATOM 0 HG12 ILE A 15 2.598 -7.269 2.445 1.00 70.22 H new ATOM 0 HG13 ILE A 15 1.663 -6.958 3.895 1.00 70.22 H new ATOM 0 HG21 ILE A 15 3.979 -4.527 2.256 1.00 74.24 H new ATOM 0 HG22 ILE A 15 5.361 -4.875 3.321 1.00 74.24 H new ATOM 0 HG23 ILE A 15 4.843 -6.076 2.115 1.00 74.24 H new ATOM 0 HD11 ILE A 15 0.624 -5.913 1.941 1.00 24.13 H new ATOM 0 HD12 ILE A 15 1.162 -4.674 3.099 1.00 24.13 H new ATOM 0 HD13 ILE A 15 2.112 -4.989 1.627 1.00 24.13 H new ATOM 258 N PRO A 16 6.690 -6.812 5.187 1.00 53.13 N ATOM 259 CA PRO A 16 7.862 -6.280 5.910 1.00 5.21 C ATOM 260 C PRO A 16 8.336 -4.898 5.408 1.00 42.14 C ATOM 261 O PRO A 16 7.897 -4.408 4.363 1.00 23.41 O ATOM 262 CB PRO A 16 8.931 -7.344 5.636 1.00 12.42 C ATOM 263 CG PRO A 16 8.583 -7.887 4.289 1.00 43.41 C ATOM 264 CD PRO A 16 7.078 -7.825 4.184 1.00 61.44 C ATOM 0 HA PRO A 16 7.639 -6.110 6.963 1.00 5.21 H new ATOM 0 HB2 PRO A 16 9.932 -6.912 5.643 1.00 12.42 H new ATOM 0 HB3 PRO A 16 8.916 -8.126 6.395 1.00 12.42 H new ATOM 0 HG2 PRO A 16 9.052 -7.300 3.500 1.00 43.41 H new ATOM 0 HG3 PRO A 16 8.939 -8.911 4.179 1.00 43.41 H new ATOM 0 HD2 PRO A 16 6.760 -7.537 3.182 1.00 61.44 H new ATOM 0 HD3 PRO A 16 6.623 -8.792 4.397 1.00 61.44 H new ATOM 272 N LYS A 17 9.261 -4.288 6.157 1.00 32.30 N ATOM 273 CA LYS A 17 9.803 -2.967 5.811 1.00 3.30 C ATOM 274 C LYS A 17 10.571 -3.010 4.482 1.00 23.42 C ATOM 275 O LYS A 17 11.364 -3.925 4.239 1.00 23.41 O ATOM 276 CB LYS A 17 10.734 -2.459 6.926 1.00 64.14 C ATOM 277 CG LYS A 17 11.194 -1.014 6.731 1.00 55.23 C ATOM 278 CD LYS A 17 12.262 -0.603 7.743 1.00 5.23 C ATOM 279 CE LYS A 17 12.644 0.871 7.606 1.00 31.43 C ATOM 280 NZ LYS A 17 11.573 1.780 8.094 1.00 21.42 N ATOM 0 H LYS A 17 9.652 -4.689 7.010 1.00 32.30 H new ATOM 0 HA LYS A 17 8.961 -2.284 5.703 1.00 3.30 H new ATOM 0 HB2 LYS A 17 10.219 -2.541 7.883 1.00 64.14 H new ATOM 0 HB3 LYS A 17 11.610 -3.106 6.979 1.00 64.14 H new ATOM 0 HG2 LYS A 17 11.588 -0.894 5.722 1.00 55.23 H new ATOM 0 HG3 LYS A 17 10.336 -0.347 6.820 1.00 55.23 H new ATOM 0 HD2 LYS A 17 11.896 -0.790 8.752 1.00 5.23 H new ATOM 0 HD3 LYS A 17 13.149 -1.222 7.606 1.00 5.23 H new ATOM 0 HE2 LYS A 17 13.560 1.060 8.165 1.00 31.43 H new ATOM 0 HE3 LYS A 17 12.857 1.093 6.560 1.00 31.43 H new ATOM 0 HZ1 LYS A 17 11.766 2.749 7.770 1.00 21.42 H new ATOM 0 HZ2 LYS A 17 10.655 1.467 7.720 1.00 21.42 H new ATOM 0 HZ3 LYS A 17 11.548 1.761 9.134 1.00 21.42 H new ATOM 294 N GLY A 18 10.335 -2.019 3.627 1.00 10.23 N ATOM 295 CA GLY A 18 11.023 -1.953 2.342 1.00 5.13 C ATOM 296 C GLY A 18 10.330 -2.751 1.242 1.00 3.04 C ATOM 297 O GLY A 18 10.833 -2.838 0.118 1.00 32.14 O ATOM 0 H GLY A 18 9.679 -1.257 3.798 1.00 10.23 H new ATOM 0 HA2 GLY A 18 11.099 -0.911 2.032 1.00 5.13 H new ATOM 0 HA3 GLY A 18 12.041 -2.324 2.464 1.00 5.13 H new ATOM 301 N LYS A 19 9.184 -3.351 1.567 1.00 12.53 N ATOM 302 CA LYS A 19 8.392 -4.099 0.586 1.00 4.14 C ATOM 303 C LYS A 19 6.996 -3.483 0.392 1.00 53.53 C ATOM 304 O LYS A 19 6.395 -2.959 1.332 1.00 54.52 O ATOM 305 CB LYS A 19 8.257 -5.568 1.014 1.00 44.15 C ATOM 306 CG LYS A 19 9.573 -6.345 1.024 1.00 45.03 C ATOM 307 CD LYS A 19 10.253 -6.340 -0.345 1.00 52.31 C ATOM 308 CE LYS A 19 11.419 -7.324 -0.406 1.00 41.12 C ATOM 309 NZ LYS A 19 12.482 -6.999 0.582 1.00 63.34 N ATOM 0 H LYS A 19 8.782 -3.334 2.504 1.00 12.53 H new ATOM 0 HA LYS A 19 8.920 -4.046 -0.366 1.00 4.14 H new ATOM 0 HB2 LYS A 19 7.820 -5.605 2.012 1.00 44.15 H new ATOM 0 HB3 LYS A 19 7.559 -6.067 0.342 1.00 44.15 H new ATOM 0 HG2 LYS A 19 10.245 -5.910 1.764 1.00 45.03 H new ATOM 0 HG3 LYS A 19 9.384 -7.374 1.331 1.00 45.03 H new ATOM 0 HD2 LYS A 19 9.523 -6.594 -1.114 1.00 52.31 H new ATOM 0 HD3 LYS A 19 10.614 -5.336 -0.567 1.00 52.31 H new ATOM 0 HE2 LYS A 19 11.050 -8.333 -0.221 1.00 41.12 H new ATOM 0 HE3 LYS A 19 11.844 -7.319 -1.410 1.00 41.12 H new ATOM 0 HZ1 LYS A 19 13.260 -7.683 0.492 1.00 63.34 H new ATOM 0 HZ2 LYS A 19 12.842 -6.040 0.402 1.00 63.34 H new ATOM 0 HZ3 LYS A 19 12.088 -7.046 1.544 1.00 63.34 H new ATOM 323 N VAL A 20 6.494 -3.555 -0.840 1.00 52.32 N ATOM 324 CA VAL A 20 5.153 -3.067 -1.182 1.00 41.30 C ATOM 325 C VAL A 20 4.368 -4.111 -1.989 1.00 41.42 C ATOM 326 O VAL A 20 4.947 -4.903 -2.732 1.00 54.24 O ATOM 327 CB VAL A 20 5.206 -1.749 -2.000 1.00 61.14 C ATOM 328 CG1 VAL A 20 5.726 -0.595 -1.150 1.00 60.12 C ATOM 329 CG2 VAL A 20 6.059 -1.920 -3.259 1.00 33.32 C ATOM 0 H VAL A 20 7.002 -3.952 -1.630 1.00 52.32 H new ATOM 0 HA VAL A 20 4.648 -2.878 -0.235 1.00 41.30 H new ATOM 0 HB VAL A 20 4.188 -1.509 -2.308 1.00 61.14 H new ATOM 0 HG11 VAL A 20 5.752 0.315 -1.749 1.00 60.12 H new ATOM 0 HG12 VAL A 20 5.067 -0.447 -0.295 1.00 60.12 H new ATOM 0 HG13 VAL A 20 6.731 -0.827 -0.798 1.00 60.12 H new ATOM 0 HG21 VAL A 20 6.080 -0.982 -3.814 1.00 33.32 H new ATOM 0 HG22 VAL A 20 7.075 -2.197 -2.976 1.00 33.32 H new ATOM 0 HG23 VAL A 20 5.631 -2.703 -3.885 1.00 33.32 H new ATOM 339 N SER A 21 3.049 -4.099 -1.849 1.00 71.55 N ATOM 340 CA SER A 21 2.178 -5.024 -2.592 1.00 61.52 C ATOM 341 C SER A 21 1.051 -4.262 -3.292 1.00 73.10 C ATOM 342 O SER A 21 0.789 -3.100 -2.979 1.00 12.03 O ATOM 343 CB SER A 21 1.582 -6.080 -1.652 1.00 5.20 C ATOM 344 OG SER A 21 0.770 -5.484 -0.653 1.00 25.24 O ATOM 0 H SER A 21 2.550 -3.461 -1.229 1.00 71.55 H new ATOM 0 HA SER A 21 2.787 -5.524 -3.345 1.00 61.52 H new ATOM 0 HB2 SER A 21 0.989 -6.790 -2.229 1.00 5.20 H new ATOM 0 HB3 SER A 21 2.386 -6.645 -1.180 1.00 5.20 H new ATOM 0 HG SER A 21 -0.111 -5.275 -1.029 1.00 25.24 H new ATOM 350 N THR A 22 0.387 -4.911 -4.241 1.00 34.03 N ATOM 351 CA THR A 22 -0.713 -4.273 -4.980 1.00 73.04 C ATOM 352 C THR A 22 -2.066 -4.506 -4.293 1.00 40.22 C ATOM 353 O THR A 22 -2.292 -5.553 -3.679 1.00 10.35 O ATOM 354 CB THR A 22 -0.806 -4.796 -6.434 1.00 61.30 C ATOM 355 OG1 THR A 22 -1.151 -6.188 -6.436 1.00 13.12 O ATOM 356 CG2 THR A 22 0.513 -4.596 -7.175 1.00 35.12 C ATOM 0 H THR A 22 0.584 -5.872 -4.521 1.00 34.03 H new ATOM 0 HA THR A 22 -0.489 -3.206 -4.992 1.00 73.04 H new ATOM 0 HB THR A 22 -1.581 -4.227 -6.947 1.00 61.30 H new ATOM 0 HG1 THR A 22 -0.367 -6.720 -6.186 1.00 13.12 H new ATOM 0 HG21 THR A 22 0.419 -4.972 -8.194 1.00 35.12 H new ATOM 0 HG22 THR A 22 0.758 -3.534 -7.202 1.00 35.12 H new ATOM 0 HG23 THR A 22 1.306 -5.138 -6.660 1.00 35.12 H new ATOM 364 N TYR A 23 -2.965 -3.521 -4.398 1.00 0.23 N ATOM 365 CA TYR A 23 -4.330 -3.650 -3.860 1.00 63.02 C ATOM 366 C TYR A 23 -4.986 -4.965 -4.311 1.00 65.33 C ATOM 367 O TYR A 23 -5.716 -5.604 -3.551 1.00 12.33 O ATOM 368 CB TYR A 23 -5.209 -2.472 -4.314 1.00 12.35 C ATOM 369 CG TYR A 23 -4.716 -1.105 -3.873 1.00 54.02 C ATOM 370 CD1 TYR A 23 -4.507 -0.817 -2.530 1.00 11.52 C ATOM 371 CD2 TYR A 23 -4.467 -0.103 -4.802 1.00 33.12 C ATOM 372 CE1 TYR A 23 -4.062 0.425 -2.127 1.00 71.15 C ATOM 373 CE2 TYR A 23 -4.021 1.142 -4.405 1.00 31.02 C ATOM 374 CZ TYR A 23 -3.821 1.401 -3.066 1.00 45.14 C ATOM 375 OH TYR A 23 -3.380 2.641 -2.666 1.00 32.43 O ATOM 0 H TYR A 23 -2.775 -2.626 -4.849 1.00 0.23 H new ATOM 0 HA TYR A 23 -4.249 -3.648 -2.773 1.00 63.02 H new ATOM 0 HB2 TYR A 23 -5.277 -2.485 -5.402 1.00 12.35 H new ATOM 0 HB3 TYR A 23 -6.218 -2.620 -3.930 1.00 12.35 H new ATOM 0 HD1 TYR A 23 -4.696 -1.579 -1.788 1.00 11.52 H new ATOM 0 HD2 TYR A 23 -4.625 -0.301 -5.852 1.00 33.12 H new ATOM 0 HE1 TYR A 23 -3.903 0.630 -1.079 1.00 71.15 H new ATOM 0 HE2 TYR A 23 -3.830 1.909 -5.140 1.00 31.02 H new ATOM 0 HH TYR A 23 -2.594 2.894 -3.193 1.00 32.43 H new ATOM 385 N GLY A 24 -4.710 -5.358 -5.554 1.00 51.15 N ATOM 386 CA GLY A 24 -5.268 -6.586 -6.106 1.00 73.23 C ATOM 387 C GLY A 24 -4.856 -7.838 -5.340 1.00 11.35 C ATOM 388 O GLY A 24 -5.671 -8.738 -5.132 1.00 72.40 O ATOM 0 H GLY A 24 -4.105 -4.844 -6.194 1.00 51.15 H new ATOM 0 HA2 GLY A 24 -6.356 -6.513 -6.109 1.00 73.23 H new ATOM 0 HA3 GLY A 24 -4.952 -6.685 -7.145 1.00 73.23 H new ATOM 392 N GLU A 25 -3.592 -7.900 -4.916 1.00 42.21 N ATOM 393 CA GLU A 25 -3.079 -9.057 -4.167 1.00 41.53 C ATOM 394 C GLU A 25 -3.695 -9.140 -2.764 1.00 23.14 C ATOM 395 O GLU A 25 -4.198 -10.191 -2.357 1.00 73.33 O ATOM 396 CB GLU A 25 -1.548 -8.992 -4.069 1.00 71.15 C ATOM 397 CG GLU A 25 -0.844 -9.149 -5.412 1.00 41.00 C ATOM 398 CD GLU A 25 0.663 -8.984 -5.313 1.00 44.35 C ATOM 399 OE1 GLU A 25 1.133 -7.827 -5.228 1.00 64.00 O ATOM 400 OE2 GLU A 25 1.382 -10.014 -5.316 1.00 12.41 O ATOM 0 H GLU A 25 -2.903 -7.165 -5.077 1.00 42.21 H new ATOM 0 HA GLU A 25 -3.366 -9.957 -4.711 1.00 41.53 H new ATOM 0 HB2 GLU A 25 -1.261 -8.038 -3.627 1.00 71.15 H new ATOM 0 HB3 GLU A 25 -1.202 -9.774 -3.393 1.00 71.15 H new ATOM 0 HG2 GLU A 25 -1.070 -10.133 -5.822 1.00 41.00 H new ATOM 0 HG3 GLU A 25 -1.240 -8.413 -6.112 1.00 41.00 H new ATOM 407 N ILE A 26 -3.655 -8.030 -2.027 1.00 53.40 N ATOM 408 CA ILE A 26 -4.225 -7.978 -0.675 1.00 53.45 C ATOM 409 C ILE A 26 -5.725 -8.307 -0.698 1.00 4.54 C ATOM 410 O ILE A 26 -6.204 -9.125 0.088 1.00 34.13 O ATOM 411 CB ILE A 26 -4.010 -6.589 -0.022 1.00 54.45 C ATOM 412 CG1 ILE A 26 -2.510 -6.250 0.044 1.00 30.11 C ATOM 413 CG2 ILE A 26 -4.637 -6.537 1.373 1.00 75.13 C ATOM 414 CD1 ILE A 26 -1.683 -7.228 0.855 1.00 64.02 C ATOM 0 H ILE A 26 -3.235 -7.155 -2.340 1.00 53.40 H new ATOM 0 HA ILE A 26 -3.704 -8.727 -0.079 1.00 53.45 H new ATOM 0 HB ILE A 26 -4.506 -5.842 -0.642 1.00 54.45 H new ATOM 0 HG12 ILE A 26 -2.114 -6.211 -0.971 1.00 30.11 H new ATOM 0 HG13 ILE A 26 -2.393 -5.253 0.470 1.00 30.11 H new ATOM 0 HG21 ILE A 26 -4.472 -5.552 1.810 1.00 75.13 H new ATOM 0 HG22 ILE A 26 -5.708 -6.726 1.298 1.00 75.13 H new ATOM 0 HG23 ILE A 26 -4.178 -7.296 2.007 1.00 75.13 H new ATOM 0 HD11 ILE A 26 -0.639 -6.914 0.849 1.00 64.02 H new ATOM 0 HD12 ILE A 26 -2.049 -7.251 1.881 1.00 64.02 H new ATOM 0 HD13 ILE A 26 -1.765 -8.223 0.418 1.00 64.02 H new ATOM 426 N ALA A 27 -6.456 -7.676 -1.616 1.00 4.50 N ATOM 427 CA ALA A 27 -7.888 -7.943 -1.784 1.00 61.13 C ATOM 428 C ALA A 27 -8.150 -9.413 -2.160 1.00 65.22 C ATOM 429 O ALA A 27 -9.046 -10.055 -1.610 1.00 71.32 O ATOM 430 CB ALA A 27 -8.469 -7.011 -2.839 1.00 71.53 C ATOM 0 H ALA A 27 -6.082 -6.976 -2.256 1.00 4.50 H new ATOM 0 HA ALA A 27 -8.381 -7.757 -0.830 1.00 61.13 H new ATOM 0 HB1 ALA A 27 -9.533 -7.215 -2.958 1.00 71.53 H new ATOM 0 HB2 ALA A 27 -8.331 -5.976 -2.526 1.00 71.53 H new ATOM 0 HB3 ALA A 27 -7.959 -7.174 -3.789 1.00 71.53 H new ATOM 436 N LYS A 28 -7.359 -9.936 -3.098 1.00 10.13 N ATOM 437 CA LYS A 28 -7.452 -11.344 -3.518 1.00 74.33 C ATOM 438 C LYS A 28 -7.319 -12.306 -2.322 1.00 22.22 C ATOM 439 O LYS A 28 -8.153 -13.193 -2.125 1.00 13.10 O ATOM 440 CB LYS A 28 -6.358 -11.644 -4.555 1.00 53.53 C ATOM 441 CG LYS A 28 -6.256 -13.111 -4.965 1.00 13.22 C ATOM 442 CD LYS A 28 -5.196 -13.317 -6.046 1.00 2.55 C ATOM 443 CE LYS A 28 -5.051 -14.784 -6.435 1.00 75.42 C ATOM 444 NZ LYS A 28 -4.498 -15.607 -5.330 1.00 24.21 N ATOM 0 H LYS A 28 -6.639 -9.404 -3.588 1.00 10.13 H new ATOM 0 HA LYS A 28 -8.436 -11.500 -3.960 1.00 74.33 H new ATOM 0 HB2 LYS A 28 -6.545 -11.044 -5.445 1.00 53.53 H new ATOM 0 HB3 LYS A 28 -5.397 -11.325 -4.152 1.00 53.53 H new ATOM 0 HG2 LYS A 28 -6.011 -13.718 -4.093 1.00 13.22 H new ATOM 0 HG3 LYS A 28 -7.223 -13.456 -5.331 1.00 13.22 H new ATOM 0 HD2 LYS A 28 -5.460 -12.733 -6.928 1.00 2.55 H new ATOM 0 HD3 LYS A 28 -4.237 -12.940 -5.689 1.00 2.55 H new ATOM 0 HE2 LYS A 28 -6.024 -15.178 -6.727 1.00 75.42 H new ATOM 0 HE3 LYS A 28 -4.400 -14.864 -7.306 1.00 75.42 H new ATOM 0 HZ1 LYS A 28 -4.306 -16.569 -5.676 1.00 24.21 H new ATOM 0 HZ2 LYS A 28 -3.614 -15.180 -4.988 1.00 24.21 H new ATOM 0 HZ3 LYS A 28 -5.186 -15.650 -4.551 1.00 24.21 H new ATOM 458 N MET A 29 -6.268 -12.113 -1.531 1.00 74.34 N ATOM 459 CA MET A 29 -6.000 -12.960 -0.360 1.00 52.32 C ATOM 460 C MET A 29 -7.003 -12.706 0.778 1.00 74.03 C ATOM 461 O MET A 29 -7.274 -13.596 1.586 1.00 60.12 O ATOM 462 CB MET A 29 -4.561 -12.730 0.118 1.00 13.40 C ATOM 463 CG MET A 29 -3.519 -13.270 -0.855 1.00 20.33 C ATOM 464 SD MET A 29 -1.822 -12.941 -0.339 1.00 51.21 S ATOM 465 CE MET A 29 -1.802 -11.152 -0.361 1.00 21.14 C ATOM 0 H MET A 29 -5.580 -11.374 -1.676 1.00 74.34 H new ATOM 0 HA MET A 29 -6.121 -14.001 -0.658 1.00 52.32 H new ATOM 0 HB2 MET A 29 -4.398 -11.662 0.262 1.00 13.40 H new ATOM 0 HB3 MET A 29 -4.426 -13.207 1.089 1.00 13.40 H new ATOM 0 HG2 MET A 29 -3.656 -14.346 -0.963 1.00 20.33 H new ATOM 0 HG3 MET A 29 -3.685 -12.827 -1.837 1.00 20.33 H new ATOM 0 HE1 MET A 29 -1.046 -10.805 -1.065 1.00 21.14 H new ATOM 0 HE2 MET A 29 -2.780 -10.781 -0.667 1.00 21.14 H new ATOM 0 HE3 MET A 29 -1.568 -10.778 0.636 1.00 21.14 H new ATOM 475 N ALA A 30 -7.554 -11.496 0.836 1.00 45.41 N ATOM 476 CA ALA A 30 -8.581 -11.162 1.831 1.00 73.10 C ATOM 477 C ALA A 30 -9.939 -11.796 1.476 1.00 22.44 C ATOM 478 O ALA A 30 -10.729 -12.137 2.358 1.00 23.34 O ATOM 479 CB ALA A 30 -8.721 -9.648 1.954 1.00 12.14 C ATOM 0 H ALA A 30 -7.310 -10.729 0.209 1.00 45.41 H new ATOM 0 HA ALA A 30 -8.263 -11.572 2.790 1.00 73.10 H new ATOM 0 HB1 ALA A 30 -9.485 -9.412 2.695 1.00 12.14 H new ATOM 0 HB2 ALA A 30 -7.769 -9.219 2.266 1.00 12.14 H new ATOM 0 HB3 ALA A 30 -9.009 -9.230 0.990 1.00 12.14 H new ATOM 485 N GLY A 31 -10.195 -11.958 0.176 1.00 62.03 N ATOM 486 CA GLY A 31 -11.461 -12.531 -0.287 1.00 73.44 C ATOM 487 C GLY A 31 -12.376 -11.508 -0.959 1.00 40.32 C ATOM 488 O GLY A 31 -13.575 -11.745 -1.117 1.00 4.23 O ATOM 0 H GLY A 31 -9.548 -11.703 -0.570 1.00 62.03 H new ATOM 0 HA2 GLY A 31 -11.252 -13.338 -0.989 1.00 73.44 H new ATOM 0 HA3 GLY A 31 -11.983 -12.974 0.561 1.00 73.44 H new ATOM 492 N TYR A 32 -11.810 -10.368 -1.354 1.00 32.12 N ATOM 493 CA TYR A 32 -12.574 -9.298 -2.016 1.00 30.52 C ATOM 494 C TYR A 32 -11.830 -8.769 -3.267 1.00 54.42 C ATOM 495 O TYR A 32 -11.482 -7.592 -3.330 1.00 75.24 O ATOM 496 CB TYR A 32 -12.809 -8.135 -1.035 1.00 40.14 C ATOM 497 CG TYR A 32 -13.452 -8.534 0.284 1.00 70.01 C ATOM 498 CD1 TYR A 32 -12.673 -8.971 1.351 1.00 32.32 C ATOM 499 CD2 TYR A 32 -14.828 -8.453 0.469 1.00 72.20 C ATOM 500 CE1 TYR A 32 -13.246 -9.324 2.557 1.00 55.34 C ATOM 501 CE2 TYR A 32 -15.407 -8.800 1.675 1.00 50.11 C ATOM 502 CZ TYR A 32 -14.611 -9.234 2.716 1.00 43.32 C ATOM 503 OH TYR A 32 -15.184 -9.574 3.921 1.00 44.23 O ATOM 0 H TYR A 32 -10.820 -10.156 -1.228 1.00 32.12 H new ATOM 0 HA TYR A 32 -13.530 -9.716 -2.331 1.00 30.52 H new ATOM 0 HB2 TYR A 32 -11.853 -7.655 -0.827 1.00 40.14 H new ATOM 0 HB3 TYR A 32 -13.440 -7.391 -1.520 1.00 40.14 H new ATOM 0 HD1 TYR A 32 -11.601 -9.035 1.234 1.00 32.32 H new ATOM 0 HD2 TYR A 32 -15.454 -8.113 -0.343 1.00 72.20 H new ATOM 0 HE1 TYR A 32 -12.627 -9.669 3.372 1.00 55.34 H new ATOM 0 HE2 TYR A 32 -16.477 -8.732 1.802 1.00 50.11 H new ATOM 0 HH TYR A 32 -16.155 -9.453 3.867 1.00 44.23 H new ATOM 513 N PRO A 33 -11.586 -9.626 -4.286 1.00 53.25 N ATOM 514 CA PRO A 33 -10.767 -9.263 -5.470 1.00 2.50 C ATOM 515 C PRO A 33 -11.203 -7.957 -6.168 1.00 41.22 C ATOM 516 O PRO A 33 -10.363 -7.169 -6.615 1.00 75.33 O ATOM 517 CB PRO A 33 -10.954 -10.466 -6.406 1.00 72.03 C ATOM 518 CG PRO A 33 -11.256 -11.601 -5.489 1.00 20.14 C ATOM 519 CD PRO A 33 -12.081 -11.014 -4.375 1.00 24.31 C ATOM 0 HA PRO A 33 -9.734 -9.066 -5.184 1.00 2.50 H new ATOM 0 HB2 PRO A 33 -11.767 -10.298 -7.112 1.00 72.03 H new ATOM 0 HB3 PRO A 33 -10.056 -10.657 -6.993 1.00 72.03 H new ATOM 0 HG2 PRO A 33 -11.802 -12.389 -6.008 1.00 20.14 H new ATOM 0 HG3 PRO A 33 -10.340 -12.048 -5.104 1.00 20.14 H new ATOM 0 HD2 PRO A 33 -13.147 -11.048 -4.602 1.00 24.31 H new ATOM 0 HD3 PRO A 33 -11.937 -11.554 -3.439 1.00 24.31 H new ATOM 527 N GLY A 34 -12.513 -7.726 -6.251 1.00 70.51 N ATOM 528 CA GLY A 34 -13.031 -6.531 -6.925 1.00 72.24 C ATOM 529 C GLY A 34 -12.969 -5.268 -6.066 1.00 22.01 C ATOM 530 O GLY A 34 -13.339 -4.177 -6.512 1.00 4.15 O ATOM 0 H GLY A 34 -13.229 -8.341 -5.866 1.00 70.51 H new ATOM 0 HA2 GLY A 34 -12.463 -6.366 -7.841 1.00 72.24 H new ATOM 0 HA3 GLY A 34 -14.065 -6.710 -7.219 1.00 72.24 H new ATOM 534 N TYR A 35 -12.491 -5.410 -4.835 1.00 50.30 N ATOM 535 CA TYR A 35 -12.436 -4.294 -3.886 1.00 13.11 C ATOM 536 C TYR A 35 -11.054 -3.621 -3.832 1.00 1.10 C ATOM 537 O TYR A 35 -10.809 -2.794 -2.958 1.00 14.51 O ATOM 538 CB TYR A 35 -12.840 -4.775 -2.486 1.00 73.24 C ATOM 539 CG TYR A 35 -14.337 -4.962 -2.305 1.00 2.00 C ATOM 540 CD1 TYR A 35 -15.043 -5.886 -3.066 1.00 71.22 C ATOM 541 CD2 TYR A 35 -15.040 -4.207 -1.371 1.00 3.34 C ATOM 542 CE1 TYR A 35 -16.405 -6.051 -2.904 1.00 12.42 C ATOM 543 CE2 TYR A 35 -16.401 -4.368 -1.202 1.00 24.11 C ATOM 544 CZ TYR A 35 -17.079 -5.289 -1.972 1.00 0.21 C ATOM 545 OH TYR A 35 -18.437 -5.449 -1.808 1.00 4.40 O ATOM 0 H TYR A 35 -12.133 -6.291 -4.465 1.00 50.30 H new ATOM 0 HA TYR A 35 -13.141 -3.542 -4.240 1.00 13.11 H new ATOM 0 HB2 TYR A 35 -12.338 -5.720 -2.279 1.00 73.24 H new ATOM 0 HB3 TYR A 35 -12.482 -4.056 -1.749 1.00 73.24 H new ATOM 0 HD1 TYR A 35 -14.518 -6.485 -3.796 1.00 71.22 H new ATOM 0 HD2 TYR A 35 -14.512 -3.483 -0.768 1.00 3.34 H new ATOM 0 HE1 TYR A 35 -16.939 -6.773 -3.504 1.00 12.42 H new ATOM 0 HE2 TYR A 35 -16.931 -3.776 -0.471 1.00 24.11 H new ATOM 0 HH TYR A 35 -18.757 -4.838 -1.112 1.00 4.40 H new ATOM 555 N ALA A 36 -10.163 -3.959 -4.769 1.00 74.34 N ATOM 556 CA ALA A 36 -8.836 -3.316 -4.854 1.00 31.20 C ATOM 557 C ALA A 36 -8.959 -1.780 -4.794 1.00 0.13 C ATOM 558 O ALA A 36 -8.289 -1.108 -4.003 1.00 35.30 O ATOM 559 CB ALA A 36 -8.126 -3.751 -6.136 1.00 2.34 C ATOM 0 H ALA A 36 -10.330 -4.671 -5.480 1.00 74.34 H new ATOM 0 HA ALA A 36 -8.243 -3.635 -3.997 1.00 31.20 H new ATOM 0 HB1 ALA A 36 -7.148 -3.272 -6.191 1.00 2.34 H new ATOM 0 HB2 ALA A 36 -8.000 -4.834 -6.133 1.00 2.34 H new ATOM 0 HB3 ALA A 36 -8.723 -3.458 -7.000 1.00 2.34 H new ATOM 565 N ARG A 37 -9.842 -1.248 -5.632 1.00 72.41 N ATOM 566 CA ARG A 37 -10.209 0.174 -5.612 1.00 74.51 C ATOM 567 C ARG A 37 -10.635 0.633 -4.203 1.00 42.00 C ATOM 568 O ARG A 37 -10.215 1.687 -3.720 1.00 24.31 O ATOM 569 CB ARG A 37 -11.358 0.402 -6.609 1.00 42.02 C ATOM 570 CG ARG A 37 -12.480 -0.630 -6.481 1.00 73.31 C ATOM 571 CD ARG A 37 -13.548 -0.469 -7.556 1.00 4.22 C ATOM 572 NE ARG A 37 -14.505 -1.576 -7.544 1.00 33.22 N ATOM 573 CZ ARG A 37 -15.688 -1.529 -8.096 1.00 45.13 C ATOM 574 NH1 ARG A 37 -16.105 -0.454 -8.683 1.00 23.40 N ATOM 575 NH2 ARG A 37 -16.458 -2.563 -8.057 1.00 23.34 N ATOM 0 H ARG A 37 -10.328 -1.787 -6.348 1.00 72.41 H new ATOM 0 HA ARG A 37 -9.337 0.763 -5.896 1.00 74.51 H new ATOM 0 HB2 ARG A 37 -11.771 1.399 -6.456 1.00 42.02 H new ATOM 0 HB3 ARG A 37 -10.961 0.374 -7.624 1.00 42.02 H new ATOM 0 HG2 ARG A 37 -12.056 -1.632 -6.542 1.00 73.31 H new ATOM 0 HG3 ARG A 37 -12.942 -0.539 -5.498 1.00 73.31 H new ATOM 0 HD2 ARG A 37 -14.078 0.471 -7.403 1.00 4.22 H new ATOM 0 HD3 ARG A 37 -13.072 -0.411 -8.535 1.00 4.22 H new ATOM 0 HE ARG A 37 -14.231 -2.439 -7.075 1.00 33.22 H new ATOM 0 HH11 ARG A 37 -15.507 0.372 -8.719 1.00 23.40 H new ATOM 0 HH12 ARG A 37 -17.031 -0.432 -9.110 1.00 23.40 H new ATOM 0 HH21 ARG A 37 -16.143 -3.416 -7.595 1.00 23.34 H new ATOM 0 HH22 ARG A 37 -17.382 -2.527 -8.488 1.00 23.34 H new ATOM 589 N HIS A 38 -11.454 -0.179 -3.539 1.00 11.12 N ATOM 590 CA HIS A 38 -11.973 0.161 -2.213 1.00 11.41 C ATOM 591 C HIS A 38 -10.884 0.061 -1.133 1.00 61.53 C ATOM 592 O HIS A 38 -10.961 0.738 -0.110 1.00 23.13 O ATOM 593 CB HIS A 38 -13.172 -0.730 -1.861 1.00 32.42 C ATOM 594 CG HIS A 38 -14.341 -0.548 -2.792 1.00 71.11 C ATOM 595 ND1 HIS A 38 -15.171 0.540 -2.684 1.00 33.20 N ATOM 596 CD2 HIS A 38 -14.756 -1.314 -3.830 1.00 74.25 C ATOM 597 CE1 HIS A 38 -16.062 0.418 -3.652 1.00 53.45 C ATOM 598 NE2 HIS A 38 -15.852 -0.691 -4.371 1.00 3.25 N ATOM 0 H HIS A 38 -11.774 -1.079 -3.897 1.00 11.12 H new ATOM 0 HA HIS A 38 -12.306 1.198 -2.244 1.00 11.41 H new ATOM 0 HB2 HIS A 38 -12.859 -1.774 -1.881 1.00 32.42 H new ATOM 0 HB3 HIS A 38 -13.491 -0.513 -0.842 1.00 32.42 H new ATOM 0 HD2 HIS A 38 -14.309 -2.238 -4.167 1.00 74.25 H new ATOM 0 HE1 HIS A 38 -16.858 1.123 -3.839 1.00 53.45 H new ATOM 0 HE2 HIS A 38 -16.401 -1.012 -5.168 1.00 3.25 H new ATOM 606 N VAL A 39 -9.869 -0.775 -1.365 1.00 63.11 N ATOM 607 CA VAL A 39 -8.719 -0.855 -0.455 1.00 32.24 C ATOM 608 C VAL A 39 -7.977 0.487 -0.416 1.00 45.10 C ATOM 609 O VAL A 39 -7.652 0.999 0.656 1.00 41.22 O ATOM 610 CB VAL A 39 -7.726 -1.975 -0.864 1.00 22.54 C ATOM 611 CG1 VAL A 39 -6.550 -2.047 0.114 1.00 4.01 C ATOM 612 CG2 VAL A 39 -8.430 -3.327 -0.958 1.00 34.01 C ATOM 0 H VAL A 39 -9.818 -1.402 -2.168 1.00 63.11 H new ATOM 0 HA VAL A 39 -9.112 -1.094 0.533 1.00 32.24 H new ATOM 0 HB VAL A 39 -7.335 -1.728 -1.851 1.00 22.54 H new ATOM 0 HG11 VAL A 39 -5.868 -2.840 -0.194 1.00 4.01 H new ATOM 0 HG12 VAL A 39 -6.021 -1.094 0.117 1.00 4.01 H new ATOM 0 HG13 VAL A 39 -6.923 -2.259 1.116 1.00 4.01 H new ATOM 0 HG21 VAL A 39 -7.710 -4.093 -1.246 1.00 34.01 H new ATOM 0 HG22 VAL A 39 -8.861 -3.581 0.010 1.00 34.01 H new ATOM 0 HG23 VAL A 39 -9.222 -3.274 -1.705 1.00 34.01 H new ATOM 622 N GLY A 40 -7.724 1.058 -1.596 1.00 52.22 N ATOM 623 CA GLY A 40 -7.121 2.389 -1.678 1.00 21.34 C ATOM 624 C GLY A 40 -7.947 3.448 -0.946 1.00 54.33 C ATOM 625 O GLY A 40 -7.405 4.297 -0.233 1.00 65.52 O ATOM 0 H GLY A 40 -7.925 0.625 -2.498 1.00 52.22 H new ATOM 0 HA2 GLY A 40 -6.117 2.357 -1.254 1.00 21.34 H new ATOM 0 HA3 GLY A 40 -7.016 2.674 -2.725 1.00 21.34 H new ATOM 629 N LYS A 41 -9.269 3.387 -1.118 1.00 24.41 N ATOM 630 CA LYS A 41 -10.187 4.276 -0.393 1.00 24.24 C ATOM 631 C LYS A 41 -10.133 4.016 1.124 1.00 51.30 C ATOM 632 O LYS A 41 -10.206 4.946 1.928 1.00 23.53 O ATOM 633 CB LYS A 41 -11.626 4.094 -0.908 1.00 15.42 C ATOM 634 CG LYS A 41 -11.827 4.539 -2.354 1.00 72.31 C ATOM 635 CD LYS A 41 -13.273 4.340 -2.811 1.00 10.05 C ATOM 636 CE LYS A 41 -13.555 5.036 -4.142 1.00 52.31 C ATOM 637 NZ LYS A 41 -12.739 4.489 -5.261 1.00 65.13 N ATOM 0 H LYS A 41 -9.730 2.733 -1.751 1.00 24.41 H new ATOM 0 HA LYS A 41 -9.870 5.303 -0.574 1.00 24.24 H new ATOM 0 HB2 LYS A 41 -11.903 3.043 -0.820 1.00 15.42 H new ATOM 0 HB3 LYS A 41 -12.305 4.657 -0.267 1.00 15.42 H new ATOM 0 HG2 LYS A 41 -11.556 5.590 -2.452 1.00 72.31 H new ATOM 0 HG3 LYS A 41 -11.159 3.975 -3.005 1.00 72.31 H new ATOM 0 HD2 LYS A 41 -13.479 3.274 -2.909 1.00 10.05 H new ATOM 0 HD3 LYS A 41 -13.950 4.727 -2.049 1.00 10.05 H new ATOM 0 HE2 LYS A 41 -14.613 4.932 -4.385 1.00 52.31 H new ATOM 0 HE3 LYS A 41 -13.355 6.102 -4.039 1.00 52.31 H new ATOM 0 HZ1 LYS A 41 -12.982 4.985 -6.142 1.00 65.13 H new ATOM 0 HZ2 LYS A 41 -11.729 4.626 -5.054 1.00 65.13 H new ATOM 0 HZ3 LYS A 41 -12.935 3.473 -5.370 1.00 65.13 H new ATOM 651 N ALA A 42 -9.994 2.746 1.501 1.00 44.33 N ATOM 652 CA ALA A 42 -9.932 2.348 2.909 1.00 41.11 C ATOM 653 C ALA A 42 -8.662 2.865 3.599 1.00 33.24 C ATOM 654 O ALA A 42 -8.718 3.375 4.721 1.00 64.20 O ATOM 655 CB ALA A 42 -10.015 0.830 3.025 1.00 24.22 C ATOM 0 H ALA A 42 -9.922 1.968 0.845 1.00 44.33 H new ATOM 0 HA ALA A 42 -10.784 2.799 3.417 1.00 41.11 H new ATOM 0 HB1 ALA A 42 -9.968 0.542 4.075 1.00 24.22 H new ATOM 0 HB2 ALA A 42 -10.955 0.483 2.595 1.00 24.22 H new ATOM 0 HB3 ALA A 42 -9.181 0.378 2.487 1.00 24.22 H new ATOM 661 N LEU A 43 -7.518 2.738 2.926 1.00 32.43 N ATOM 662 CA LEU A 43 -6.241 3.197 3.484 1.00 25.43 C ATOM 663 C LEU A 43 -6.237 4.719 3.694 1.00 41.12 C ATOM 664 O LEU A 43 -5.564 5.230 4.589 1.00 24.25 O ATOM 665 CB LEU A 43 -5.073 2.791 2.573 1.00 3.03 C ATOM 666 CG LEU A 43 -4.941 1.282 2.300 1.00 12.34 C ATOM 667 CD1 LEU A 43 -3.681 0.984 1.487 1.00 21.04 C ATOM 668 CD2 LEU A 43 -4.945 0.486 3.605 1.00 71.45 C ATOM 0 H LEU A 43 -7.447 2.323 1.997 1.00 32.43 H new ATOM 0 HA LEU A 43 -6.117 2.717 4.455 1.00 25.43 H new ATOM 0 HB2 LEU A 43 -5.182 3.307 1.619 1.00 3.03 H new ATOM 0 HB3 LEU A 43 -4.145 3.144 3.022 1.00 3.03 H new ATOM 0 HG LEU A 43 -5.805 0.971 1.713 1.00 12.34 H new ATOM 0 HD11 LEU A 43 -3.610 -0.089 1.307 1.00 21.04 H new ATOM 0 HD12 LEU A 43 -3.730 1.510 0.533 1.00 21.04 H new ATOM 0 HD13 LEU A 43 -2.803 1.318 2.040 1.00 21.04 H new ATOM 0 HD21 LEU A 43 -4.851 -0.577 3.383 1.00 71.45 H new ATOM 0 HD22 LEU A 43 -4.108 0.803 4.227 1.00 71.45 H new ATOM 0 HD23 LEU A 43 -5.880 0.664 4.137 1.00 71.45 H new ATOM 680 N GLY A 44 -7.002 5.439 2.868 1.00 33.50 N ATOM 681 CA GLY A 44 -7.122 6.889 3.016 1.00 43.55 C ATOM 682 C GLY A 44 -7.719 7.313 4.361 1.00 42.23 C ATOM 683 O GLY A 44 -7.620 8.477 4.758 1.00 61.41 O ATOM 0 H GLY A 44 -7.542 5.045 2.098 1.00 33.50 H new ATOM 0 HA2 GLY A 44 -6.137 7.341 2.905 1.00 43.55 H new ATOM 0 HA3 GLY A 44 -7.744 7.279 2.211 1.00 43.55 H new ATOM 687 N ASN A 45 -8.348 6.369 5.059 1.00 13.12 N ATOM 688 CA ASN A 45 -8.919 6.624 6.389 1.00 35.25 C ATOM 689 C ASN A 45 -7.824 6.652 7.470 1.00 53.34 C ATOM 690 O ASN A 45 -8.007 7.228 8.545 1.00 4.22 O ATOM 691 CB ASN A 45 -9.951 5.534 6.716 1.00 50.45 C ATOM 692 CG ASN A 45 -10.620 5.728 8.066 1.00 1.10 C ATOM 693 OD1 ASN A 45 -10.162 5.216 9.085 1.00 43.11 O ATOM 694 ND2 ASN A 45 -11.715 6.457 8.088 1.00 73.34 N ATOM 0 H ASN A 45 -8.478 5.413 4.727 1.00 13.12 H new ATOM 0 HA ASN A 45 -9.403 7.601 6.377 1.00 35.25 H new ATOM 0 HB2 ASN A 45 -10.714 5.521 5.938 1.00 50.45 H new ATOM 0 HB3 ASN A 45 -9.460 4.561 6.698 1.00 50.45 H new ATOM 0 HD21 ASN A 45 -12.208 6.610 8.968 1.00 73.34 H new ATOM 0 HD22 ASN A 45 -12.071 6.869 7.225 1.00 73.34 H new ATOM 701 N LEU A 46 -6.685 6.035 7.170 1.00 51.54 N ATOM 702 CA LEU A 46 -5.594 5.893 8.137 1.00 24.24 C ATOM 703 C LEU A 46 -4.610 7.077 8.081 1.00 73.42 C ATOM 704 O LEU A 46 -4.215 7.525 7.003 1.00 12.22 O ATOM 705 CB LEU A 46 -4.853 4.578 7.880 1.00 54.14 C ATOM 706 CG LEU A 46 -5.695 3.308 8.087 1.00 5.04 C ATOM 707 CD1 LEU A 46 -4.930 2.069 7.635 1.00 23.11 C ATOM 708 CD2 LEU A 46 -6.120 3.178 9.549 1.00 52.54 C ATOM 0 H LEU A 46 -6.490 5.621 6.258 1.00 51.54 H new ATOM 0 HA LEU A 46 -6.031 5.885 9.136 1.00 24.24 H new ATOM 0 HB2 LEU A 46 -4.477 4.584 6.857 1.00 54.14 H new ATOM 0 HB3 LEU A 46 -3.985 4.532 8.538 1.00 54.14 H new ATOM 0 HG LEU A 46 -6.593 3.392 7.475 1.00 5.04 H new ATOM 0 HD11 LEU A 46 -5.546 1.184 7.791 1.00 23.11 H new ATOM 0 HD12 LEU A 46 -4.685 2.158 6.577 1.00 23.11 H new ATOM 0 HD13 LEU A 46 -4.011 1.978 8.213 1.00 23.11 H new ATOM 0 HD21 LEU A 46 -6.715 2.274 9.676 1.00 52.54 H new ATOM 0 HD22 LEU A 46 -5.234 3.122 10.182 1.00 52.54 H new ATOM 0 HD23 LEU A 46 -6.714 4.046 9.834 1.00 52.54 H new ATOM 720 N PRO A 47 -4.202 7.600 9.257 1.00 60.32 N ATOM 721 CA PRO A 47 -3.255 8.722 9.345 1.00 51.22 C ATOM 722 C PRO A 47 -1.779 8.294 9.214 1.00 44.11 C ATOM 723 O PRO A 47 -1.457 7.107 9.113 1.00 62.11 O ATOM 724 CB PRO A 47 -3.534 9.276 10.745 1.00 72.44 C ATOM 725 CG PRO A 47 -3.931 8.081 11.546 1.00 65.43 C ATOM 726 CD PRO A 47 -4.647 7.151 10.594 1.00 53.42 C ATOM 0 HA PRO A 47 -3.393 9.437 8.534 1.00 51.22 H new ATOM 0 HB2 PRO A 47 -2.652 9.760 11.164 1.00 72.44 H new ATOM 0 HB3 PRO A 47 -4.328 10.023 10.726 1.00 72.44 H new ATOM 0 HG2 PRO A 47 -3.057 7.596 11.980 1.00 65.43 H new ATOM 0 HG3 PRO A 47 -4.581 8.366 12.374 1.00 65.43 H new ATOM 0 HD2 PRO A 47 -4.380 6.110 10.775 1.00 53.42 H new ATOM 0 HD3 PRO A 47 -5.729 7.225 10.701 1.00 53.42 H new ATOM 734 N GLU A 48 -0.881 9.277 9.257 1.00 12.23 N ATOM 735 CA GLU A 48 0.560 9.031 9.100 1.00 13.01 C ATOM 736 C GLU A 48 1.238 8.666 10.436 1.00 32.25 C ATOM 737 O GLU A 48 2.450 8.817 10.589 1.00 15.52 O ATOM 738 CB GLU A 48 1.258 10.254 8.460 1.00 74.43 C ATOM 739 CG GLU A 48 1.003 11.593 9.156 1.00 73.05 C ATOM 740 CD GLU A 48 -0.345 12.208 8.797 1.00 1.40 C ATOM 741 OE1 GLU A 48 -0.462 12.808 7.710 1.00 75.35 O ATOM 742 OE2 GLU A 48 -1.295 12.090 9.599 1.00 45.11 O ATOM 0 H GLU A 48 -1.123 10.257 9.400 1.00 12.23 H new ATOM 0 HA GLU A 48 0.666 8.174 8.435 1.00 13.01 H new ATOM 0 HB2 GLU A 48 2.332 10.071 8.444 1.00 74.43 H new ATOM 0 HB3 GLU A 48 0.933 10.335 7.423 1.00 74.43 H new ATOM 0 HG2 GLU A 48 1.054 11.450 10.235 1.00 73.05 H new ATOM 0 HG3 GLU A 48 1.796 12.291 8.889 1.00 73.05 H new ATOM 749 N GLY A 49 0.458 8.158 11.386 1.00 12.52 N ATOM 750 CA GLY A 49 1.013 7.713 12.665 1.00 3.40 C ATOM 751 C GLY A 49 0.255 6.525 13.255 1.00 13.24 C ATOM 752 O GLY A 49 0.106 6.414 14.473 1.00 34.51 O ATOM 0 H GLY A 49 -0.552 8.044 11.298 1.00 12.52 H new ATOM 0 HA2 GLY A 49 2.059 7.439 12.527 1.00 3.40 H new ATOM 0 HA3 GLY A 49 0.991 8.541 13.374 1.00 3.40 H new ATOM 756 N SER A 50 -0.212 5.629 12.382 1.00 15.40 N ATOM 757 CA SER A 50 -1.023 4.471 12.804 1.00 50.34 C ATOM 758 C SER A 50 -0.165 3.261 13.214 1.00 54.13 C ATOM 759 O SER A 50 1.038 3.203 12.944 1.00 62.34 O ATOM 760 CB SER A 50 -1.977 4.047 11.675 1.00 74.43 C ATOM 761 OG SER A 50 -2.694 2.869 12.026 1.00 21.11 O ATOM 0 H SER A 50 -0.045 5.678 11.377 1.00 15.40 H new ATOM 0 HA SER A 50 -1.588 4.793 13.679 1.00 50.34 H new ATOM 0 HB2 SER A 50 -2.678 4.854 11.465 1.00 74.43 H new ATOM 0 HB3 SER A 50 -1.409 3.872 10.761 1.00 74.43 H new ATOM 0 HG SER A 50 -3.295 2.621 11.293 1.00 21.11 H new ATOM 767 N LYS A 51 -0.815 2.292 13.859 1.00 54.30 N ATOM 768 CA LYS A 51 -0.177 1.027 14.253 1.00 44.15 C ATOM 769 C LYS A 51 -0.141 0.028 13.083 1.00 43.14 C ATOM 770 O LYS A 51 0.507 -1.018 13.160 1.00 11.24 O ATOM 771 CB LYS A 51 -0.931 0.416 15.446 1.00 64.12 C ATOM 772 CG LYS A 51 -2.442 0.318 15.230 1.00 45.40 C ATOM 773 CD LYS A 51 -3.148 -0.323 16.422 1.00 44.34 C ATOM 774 CE LYS A 51 -4.668 -0.288 16.277 1.00 21.42 C ATOM 775 NZ LYS A 51 -5.200 1.103 16.312 1.00 43.41 N ATOM 0 H LYS A 51 -1.798 2.358 14.125 1.00 54.30 H new ATOM 0 HA LYS A 51 0.852 1.240 14.542 1.00 44.15 H new ATOM 0 HB2 LYS A 51 -0.535 -0.580 15.644 1.00 64.12 H new ATOM 0 HB3 LYS A 51 -0.738 1.018 16.334 1.00 64.12 H new ATOM 0 HG2 LYS A 51 -2.850 1.315 15.060 1.00 45.40 H new ATOM 0 HG3 LYS A 51 -2.643 -0.266 14.332 1.00 45.40 H new ATOM 0 HD2 LYS A 51 -2.818 -1.357 16.525 1.00 44.34 H new ATOM 0 HD3 LYS A 51 -2.859 0.196 17.336 1.00 44.34 H new ATOM 0 HE2 LYS A 51 -4.954 -0.762 15.338 1.00 21.42 H new ATOM 0 HE3 LYS A 51 -5.122 -0.870 17.079 1.00 21.42 H new ATOM 0 HZ1 LYS A 51 -6.235 1.077 16.415 1.00 43.41 H new ATOM 0 HZ2 LYS A 51 -4.784 1.613 17.117 1.00 43.41 H new ATOM 0 HZ3 LYS A 51 -4.953 1.592 15.428 1.00 43.41 H new ATOM 789 N LEU A 52 -0.853 0.359 12.012 1.00 51.14 N ATOM 790 CA LEU A 52 -0.890 -0.464 10.799 1.00 11.03 C ATOM 791 C LEU A 52 -0.144 0.229 9.646 1.00 71.54 C ATOM 792 O LEU A 52 -0.480 1.357 9.276 1.00 1.00 O ATOM 793 CB LEU A 52 -2.352 -0.707 10.387 1.00 11.13 C ATOM 794 CG LEU A 52 -2.561 -1.402 9.028 1.00 34.01 C ATOM 795 CD1 LEU A 52 -2.099 -2.856 9.069 1.00 60.42 C ATOM 796 CD2 LEU A 52 -4.021 -1.312 8.599 1.00 55.33 C ATOM 0 H LEU A 52 -1.422 1.204 11.955 1.00 51.14 H new ATOM 0 HA LEU A 52 -0.400 -1.414 11.011 1.00 11.03 H new ATOM 0 HB2 LEU A 52 -2.832 -1.309 11.159 1.00 11.13 H new ATOM 0 HB3 LEU A 52 -2.868 0.253 10.365 1.00 11.13 H new ATOM 0 HG LEU A 52 -1.950 -0.882 8.290 1.00 34.01 H new ATOM 0 HD11 LEU A 52 -2.261 -3.317 8.094 1.00 60.42 H new ATOM 0 HD12 LEU A 52 -1.038 -2.894 9.317 1.00 60.42 H new ATOM 0 HD13 LEU A 52 -2.668 -3.397 9.825 1.00 60.42 H new ATOM 0 HD21 LEU A 52 -4.149 -1.808 7.637 1.00 55.33 H new ATOM 0 HD22 LEU A 52 -4.650 -1.798 9.345 1.00 55.33 H new ATOM 0 HD23 LEU A 52 -4.310 -0.265 8.508 1.00 55.33 H new ATOM 808 N PRO A 53 0.882 -0.418 9.056 1.00 44.23 N ATOM 809 CA PRO A 53 1.566 0.148 7.891 1.00 3.45 C ATOM 810 C PRO A 53 0.731 -0.009 6.609 1.00 51.32 C ATOM 811 O PRO A 53 0.798 -1.024 5.919 1.00 51.35 O ATOM 812 CB PRO A 53 2.861 -0.669 7.818 1.00 54.44 C ATOM 813 CG PRO A 53 2.513 -1.990 8.428 1.00 33.33 C ATOM 814 CD PRO A 53 1.456 -1.716 9.471 1.00 62.11 C ATOM 0 HA PRO A 53 1.739 1.220 7.981 1.00 3.45 H new ATOM 0 HB2 PRO A 53 3.198 -0.785 6.788 1.00 54.44 H new ATOM 0 HB3 PRO A 53 3.668 -0.181 8.364 1.00 54.44 H new ATOM 0 HG2 PRO A 53 2.141 -2.681 7.671 1.00 33.33 H new ATOM 0 HG3 PRO A 53 3.391 -2.453 8.878 1.00 33.33 H new ATOM 0 HD2 PRO A 53 0.700 -2.501 9.490 1.00 62.11 H new ATOM 0 HD3 PRO A 53 1.885 -1.662 10.472 1.00 62.11 H new ATOM 822 N TRP A 54 -0.035 1.027 6.290 1.00 73.34 N ATOM 823 CA TRP A 54 -0.945 1.010 5.135 1.00 50.43 C ATOM 824 C TRP A 54 -0.221 1.387 3.837 1.00 34.25 C ATOM 825 O TRP A 54 -0.525 0.870 2.764 1.00 71.42 O ATOM 826 CB TRP A 54 -2.117 1.970 5.391 1.00 65.33 C ATOM 827 CG TRP A 54 -1.684 3.336 5.853 1.00 55.05 C ATOM 828 CD1 TRP A 54 -1.476 3.741 7.143 1.00 31.51 C ATOM 829 CD2 TRP A 54 -1.398 4.470 5.029 1.00 50.44 C ATOM 830 NE1 TRP A 54 -1.071 5.050 7.166 1.00 34.44 N ATOM 831 CE2 TRP A 54 -1.016 5.521 5.884 1.00 30.31 C ATOM 832 CE3 TRP A 54 -1.427 4.700 3.652 1.00 54.55 C ATOM 833 CZ2 TRP A 54 -0.660 6.776 5.406 1.00 73.42 C ATOM 834 CZ3 TRP A 54 -1.077 5.947 3.179 1.00 70.15 C ATOM 835 CH2 TRP A 54 -0.696 6.971 4.052 1.00 10.04 C ATOM 0 H TRP A 54 -0.049 1.901 6.816 1.00 73.34 H new ATOM 0 HA TRP A 54 -1.323 -0.005 5.014 1.00 50.43 H new ATOM 0 HB2 TRP A 54 -2.699 2.072 4.475 1.00 65.33 H new ATOM 0 HB3 TRP A 54 -2.777 1.534 6.141 1.00 65.33 H new ATOM 0 HD1 TRP A 54 -1.611 3.120 8.016 1.00 31.51 H new ATOM 0 HE1 TRP A 54 -0.847 5.586 8.004 1.00 34.44 H new ATOM 0 HE3 TRP A 54 -1.718 3.915 2.970 1.00 54.55 H new ATOM 0 HZ2 TRP A 54 -0.366 7.568 6.078 1.00 73.42 H new ATOM 0 HZ3 TRP A 54 -1.097 6.136 2.116 1.00 70.15 H new ATOM 0 HH2 TRP A 54 -0.425 7.936 3.649 1.00 10.04 H new ATOM 846 N PHE A 55 0.750 2.278 3.958 1.00 71.25 N ATOM 847 CA PHE A 55 1.528 2.771 2.816 1.00 33.43 C ATOM 848 C PHE A 55 2.221 1.646 2.022 1.00 62.12 C ATOM 849 O PHE A 55 2.587 1.837 0.863 1.00 15.22 O ATOM 850 CB PHE A 55 2.559 3.794 3.309 1.00 55.44 C ATOM 851 CG PHE A 55 3.254 3.392 4.586 1.00 51.10 C ATOM 852 CD1 PHE A 55 4.410 2.628 4.559 1.00 54.32 C ATOM 853 CD2 PHE A 55 2.747 3.788 5.817 1.00 0.32 C ATOM 854 CE1 PHE A 55 5.044 2.267 5.730 1.00 70.24 C ATOM 855 CE2 PHE A 55 3.377 3.430 6.988 1.00 14.23 C ATOM 856 CZ PHE A 55 4.526 2.669 6.945 1.00 2.10 C ATOM 0 H PHE A 55 1.027 2.685 4.851 1.00 71.25 H new ATOM 0 HA PHE A 55 0.829 3.242 2.125 1.00 33.43 H new ATOM 0 HB2 PHE A 55 3.308 3.945 2.531 1.00 55.44 H new ATOM 0 HB3 PHE A 55 2.062 4.752 3.463 1.00 55.44 H new ATOM 0 HD1 PHE A 55 4.819 2.312 3.611 1.00 54.32 H new ATOM 0 HD2 PHE A 55 1.847 4.384 5.856 1.00 0.32 H new ATOM 0 HE1 PHE A 55 5.944 1.671 5.696 1.00 70.24 H new ATOM 0 HE2 PHE A 55 2.972 3.745 7.938 1.00 14.23 H new ATOM 0 HZ PHE A 55 5.021 2.387 7.862 1.00 2.10 H new ATOM 866 N ARG A 56 2.383 0.477 2.640 1.00 22.53 N ATOM 867 CA ARG A 56 3.045 -0.666 1.988 1.00 53.42 C ATOM 868 C ARG A 56 2.155 -1.322 0.910 1.00 24.51 C ATOM 869 O ARG A 56 2.522 -2.347 0.333 1.00 55.11 O ATOM 870 CB ARG A 56 3.460 -1.709 3.039 1.00 21.40 C ATOM 871 CG ARG A 56 4.535 -1.215 4.009 1.00 33.31 C ATOM 872 CD ARG A 56 4.930 -2.286 5.028 1.00 14.12 C ATOM 873 NE ARG A 56 5.994 -1.827 5.923 1.00 44.52 N ATOM 874 CZ ARG A 56 6.283 -2.366 7.080 1.00 65.23 C ATOM 875 NH1 ARG A 56 5.654 -3.413 7.508 1.00 64.24 N ATOM 876 NH2 ARG A 56 7.236 -1.869 7.793 1.00 12.12 N ATOM 0 H ARG A 56 2.067 0.290 3.592 1.00 22.53 H new ATOM 0 HA ARG A 56 3.933 -0.282 1.485 1.00 53.42 H new ATOM 0 HB2 ARG A 56 2.580 -2.007 3.608 1.00 21.40 H new ATOM 0 HB3 ARG A 56 3.826 -2.600 2.528 1.00 21.40 H new ATOM 0 HG2 ARG A 56 5.417 -0.909 3.446 1.00 33.31 H new ATOM 0 HG3 ARG A 56 4.170 -0.333 4.535 1.00 33.31 H new ATOM 0 HD2 ARG A 56 4.056 -2.565 5.617 1.00 14.12 H new ATOM 0 HD3 ARG A 56 5.260 -3.182 4.502 1.00 14.12 H new ATOM 0 HE ARG A 56 6.552 -1.028 5.622 1.00 44.52 H new ATOM 0 HH11 ARG A 56 4.918 -3.833 6.941 1.00 64.24 H new ATOM 0 HH12 ARG A 56 5.894 -3.818 8.413 1.00 64.24 H new ATOM 0 HH21 ARG A 56 7.759 -1.061 7.454 1.00 12.12 H new ATOM 0 HH22 ARG A 56 7.467 -2.284 8.696 1.00 12.12 H new ATOM 890 N VAL A 57 0.987 -0.734 0.640 1.00 52.34 N ATOM 891 CA VAL A 57 0.083 -1.242 -0.401 1.00 33.44 C ATOM 892 C VAL A 57 -0.225 -0.155 -1.457 1.00 12.02 C ATOM 893 O VAL A 57 -0.817 0.883 -1.152 1.00 64.34 O ATOM 894 CB VAL A 57 -1.247 -1.765 0.202 1.00 42.20 C ATOM 895 CG1 VAL A 57 -2.089 -2.468 -0.862 1.00 44.15 C ATOM 896 CG2 VAL A 57 -0.982 -2.697 1.386 1.00 4.13 C ATOM 0 H VAL A 57 0.643 0.094 1.126 1.00 52.34 H new ATOM 0 HA VAL A 57 0.598 -2.072 -0.885 1.00 33.44 H new ATOM 0 HB VAL A 57 -1.810 -0.906 0.567 1.00 42.20 H new ATOM 0 HG11 VAL A 57 -3.016 -2.826 -0.414 1.00 44.15 H new ATOM 0 HG12 VAL A 57 -2.320 -1.768 -1.665 1.00 44.15 H new ATOM 0 HG13 VAL A 57 -1.532 -3.313 -1.267 1.00 44.15 H new ATOM 0 HG21 VAL A 57 -1.931 -3.050 1.791 1.00 4.13 H new ATOM 0 HG22 VAL A 57 -0.390 -3.549 1.053 1.00 4.13 H new ATOM 0 HG23 VAL A 57 -0.436 -2.157 2.159 1.00 4.13 H new ATOM 906 N ILE A 58 0.190 -0.403 -2.699 1.00 32.44 N ATOM 907 CA ILE A 58 -0.028 0.540 -3.809 1.00 42.23 C ATOM 908 C ILE A 58 -0.860 -0.100 -4.936 1.00 63.00 C ATOM 909 O ILE A 58 -1.406 -1.194 -4.773 1.00 2.15 O ATOM 910 CB ILE A 58 1.318 1.054 -4.378 1.00 34.44 C ATOM 911 CG1 ILE A 58 2.195 -0.119 -4.847 1.00 14.44 C ATOM 912 CG2 ILE A 58 2.051 1.903 -3.338 1.00 23.23 C ATOM 913 CD1 ILE A 58 3.523 0.312 -5.435 1.00 13.22 C ATOM 0 H ILE A 58 0.683 -1.254 -2.968 1.00 32.44 H new ATOM 0 HA ILE A 58 -0.585 1.386 -3.406 1.00 42.23 H new ATOM 0 HB ILE A 58 1.108 1.683 -5.243 1.00 34.44 H new ATOM 0 HG12 ILE A 58 2.380 -0.783 -4.003 1.00 14.44 H new ATOM 0 HG13 ILE A 58 1.647 -0.695 -5.593 1.00 14.44 H new ATOM 0 HG21 ILE A 58 2.994 2.255 -3.755 1.00 23.23 H new ATOM 0 HG22 ILE A 58 1.433 2.758 -3.065 1.00 23.23 H new ATOM 0 HG23 ILE A 58 2.249 1.301 -2.451 1.00 23.23 H new ATOM 0 HD11 ILE A 58 4.087 -0.568 -5.744 1.00 13.22 H new ATOM 0 HD12 ILE A 58 3.347 0.952 -6.300 1.00 13.22 H new ATOM 0 HD13 ILE A 58 4.091 0.863 -4.685 1.00 13.22 H new ATOM 925 N ASN A 59 -0.971 0.581 -6.082 1.00 31.04 N ATOM 926 CA ASN A 59 -1.810 0.085 -7.180 1.00 11.45 C ATOM 927 C ASN A 59 -1.055 -0.887 -8.104 1.00 1.35 C ATOM 928 O ASN A 59 0.165 -1.038 -8.017 1.00 44.53 O ATOM 929 CB ASN A 59 -2.408 1.254 -7.986 1.00 4.35 C ATOM 930 CG ASN A 59 -1.372 2.137 -8.667 1.00 25.21 C ATOM 931 OD1 ASN A 59 -0.315 1.681 -9.080 1.00 42.32 O ATOM 932 ND2 ASN A 59 -1.675 3.412 -8.795 1.00 24.43 N ATOM 0 H ASN A 59 -0.498 1.464 -6.273 1.00 31.04 H new ATOM 0 HA ASN A 59 -2.625 -0.478 -6.725 1.00 11.45 H new ATOM 0 HB2 ASN A 59 -3.080 0.852 -8.744 1.00 4.35 H new ATOM 0 HB3 ASN A 59 -3.011 1.870 -7.319 1.00 4.35 H new ATOM 0 HD21 ASN A 59 -1.020 4.049 -9.249 1.00 24.43 H new ATOM 0 HD22 ASN A 59 -2.565 3.763 -8.440 1.00 24.43 H new ATOM 939 N SER A 60 -1.801 -1.541 -8.992 1.00 21.41 N ATOM 940 CA SER A 60 -1.239 -2.553 -9.901 1.00 53.54 C ATOM 941 C SER A 60 -0.216 -1.953 -10.873 1.00 64.31 C ATOM 942 O SER A 60 0.688 -2.646 -11.346 1.00 60.32 O ATOM 943 CB SER A 60 -2.361 -3.234 -10.694 1.00 24.13 C ATOM 944 OG SER A 60 -3.291 -3.871 -9.831 1.00 64.14 O ATOM 0 H SER A 60 -2.803 -1.391 -9.106 1.00 21.41 H new ATOM 0 HA SER A 60 -0.722 -3.288 -9.284 1.00 53.54 H new ATOM 0 HB2 SER A 60 -2.877 -2.494 -11.306 1.00 24.13 H new ATOM 0 HB3 SER A 60 -1.933 -3.969 -11.376 1.00 24.13 H new ATOM 0 HG SER A 60 -3.995 -4.295 -10.365 1.00 64.14 H new ATOM 950 N GLN A 61 -0.363 -0.665 -11.164 1.00 14.43 N ATOM 951 CA GLN A 61 0.543 0.048 -12.077 1.00 5.12 C ATOM 952 C GLN A 61 1.893 0.380 -11.417 1.00 2.11 C ATOM 953 O GLN A 61 2.820 0.855 -12.083 1.00 4.24 O ATOM 954 CB GLN A 61 -0.131 1.338 -12.561 1.00 61.12 C ATOM 955 CG GLN A 61 -1.401 1.096 -13.369 1.00 35.43 C ATOM 956 CD GLN A 61 -2.214 2.364 -13.577 1.00 1.40 C ATOM 957 OE1 GLN A 61 -3.088 2.691 -12.782 1.00 31.20 O ATOM 958 NE2 GLN A 61 -1.928 3.090 -14.636 1.00 31.22 N ATOM 0 H GLN A 61 -1.107 -0.083 -10.780 1.00 14.43 H new ATOM 0 HA GLN A 61 0.748 -0.610 -12.922 1.00 5.12 H new ATOM 0 HB2 GLN A 61 -0.372 1.958 -11.698 1.00 61.12 H new ATOM 0 HB3 GLN A 61 0.576 1.901 -13.171 1.00 61.12 H new ATOM 0 HG2 GLN A 61 -1.135 0.676 -14.339 1.00 35.43 H new ATOM 0 HG3 GLN A 61 -2.016 0.355 -12.859 1.00 35.43 H new ATOM 0 HE21 GLN A 61 -1.194 2.789 -15.278 1.00 31.22 H new ATOM 0 HE22 GLN A 61 -2.440 3.954 -14.815 1.00 31.22 H new ATOM 967 N GLY A 62 2.002 0.134 -10.112 1.00 43.42 N ATOM 968 CA GLY A 62 3.228 0.439 -9.385 1.00 22.12 C ATOM 969 C GLY A 62 3.358 1.920 -9.050 1.00 44.41 C ATOM 970 O GLY A 62 4.428 2.513 -9.193 1.00 52.53 O ATOM 0 H GLY A 62 1.260 -0.273 -9.542 1.00 43.42 H new ATOM 0 HA2 GLY A 62 3.253 -0.142 -8.463 1.00 22.12 H new ATOM 0 HA3 GLY A 62 4.086 0.128 -9.981 1.00 22.12 H new ATOM 974 N LYS A 63 2.256 2.515 -8.616 1.00 55.13 N ATOM 975 CA LYS A 63 2.207 3.942 -8.275 1.00 73.33 C ATOM 976 C LYS A 63 1.342 4.174 -7.029 1.00 72.33 C ATOM 977 O LYS A 63 0.659 3.265 -6.552 1.00 23.33 O ATOM 978 CB LYS A 63 1.628 4.752 -9.448 1.00 61.52 C ATOM 979 CG LYS A 63 2.451 4.691 -10.731 1.00 32.00 C ATOM 980 CD LYS A 63 1.747 5.394 -11.891 1.00 62.21 C ATOM 981 CE LYS A 63 1.461 6.861 -11.590 1.00 14.34 C ATOM 982 NZ LYS A 63 0.829 7.545 -12.747 1.00 24.22 N ATOM 0 H LYS A 63 1.368 2.029 -8.488 1.00 55.13 H new ATOM 0 HA LYS A 63 3.225 4.273 -8.070 1.00 73.33 H new ATOM 0 HB2 LYS A 63 0.622 4.390 -9.660 1.00 61.52 H new ATOM 0 HB3 LYS A 63 1.534 5.794 -9.141 1.00 61.52 H new ATOM 0 HG2 LYS A 63 3.423 5.154 -10.562 1.00 32.00 H new ATOM 0 HG3 LYS A 63 2.636 3.650 -10.995 1.00 32.00 H new ATOM 0 HD2 LYS A 63 2.366 5.323 -12.786 1.00 62.21 H new ATOM 0 HD3 LYS A 63 0.811 4.881 -12.110 1.00 62.21 H new ATOM 0 HE2 LYS A 63 0.806 6.934 -10.722 1.00 14.34 H new ATOM 0 HE3 LYS A 63 2.391 7.368 -11.331 1.00 14.34 H new ATOM 0 HZ1 LYS A 63 0.649 8.541 -12.506 1.00 24.22 H new ATOM 0 HZ2 LYS A 63 1.465 7.497 -13.568 1.00 24.22 H new ATOM 0 HZ3 LYS A 63 -0.070 7.077 -12.978 1.00 24.22 H new ATOM 996 N ILE A 64 1.367 5.397 -6.512 1.00 61.04 N ATOM 997 CA ILE A 64 0.521 5.767 -5.375 1.00 24.03 C ATOM 998 C ILE A 64 -0.882 6.181 -5.854 1.00 23.14 C ATOM 999 O ILE A 64 -1.023 7.090 -6.672 1.00 13.23 O ATOM 1000 CB ILE A 64 1.155 6.927 -4.560 1.00 45.11 C ATOM 1001 CG1 ILE A 64 2.555 6.524 -4.059 1.00 12.51 C ATOM 1002 CG2 ILE A 64 0.253 7.328 -3.390 1.00 71.55 C ATOM 1003 CD1 ILE A 64 3.249 7.601 -3.248 1.00 52.22 C ATOM 0 H ILE A 64 1.961 6.150 -6.858 1.00 61.04 H new ATOM 0 HA ILE A 64 0.436 4.892 -4.730 1.00 24.03 H new ATOM 0 HB ILE A 64 1.258 7.792 -5.215 1.00 45.11 H new ATOM 0 HG12 ILE A 64 2.468 5.624 -3.451 1.00 12.51 H new ATOM 0 HG13 ILE A 64 3.178 6.270 -4.916 1.00 12.51 H new ATOM 0 HG21 ILE A 64 0.718 8.142 -2.834 1.00 71.55 H new ATOM 0 HG22 ILE A 64 -0.714 7.656 -3.772 1.00 71.55 H new ATOM 0 HG23 ILE A 64 0.112 6.472 -2.730 1.00 71.55 H new ATOM 0 HD11 ILE A 64 4.229 7.243 -2.931 1.00 52.22 H new ATOM 0 HD12 ILE A 64 3.370 8.496 -3.859 1.00 52.22 H new ATOM 0 HD13 ILE A 64 2.648 7.839 -2.370 1.00 52.22 H new ATOM 1015 N SER A 65 -1.916 5.503 -5.354 1.00 55.24 N ATOM 1016 CA SER A 65 -3.306 5.810 -5.745 1.00 54.53 C ATOM 1017 C SER A 65 -3.879 7.000 -4.965 1.00 24.01 C ATOM 1018 O SER A 65 -4.942 7.518 -5.303 1.00 53.31 O ATOM 1019 CB SER A 65 -4.215 4.587 -5.558 1.00 22.52 C ATOM 1020 OG SER A 65 -3.900 3.573 -6.499 1.00 51.14 O ATOM 0 H SER A 65 -1.826 4.741 -4.681 1.00 55.24 H new ATOM 0 HA SER A 65 -3.278 6.080 -6.801 1.00 54.53 H new ATOM 0 HB2 SER A 65 -4.103 4.197 -4.546 1.00 22.52 H new ATOM 0 HB3 SER A 65 -5.258 4.883 -5.672 1.00 22.52 H new ATOM 0 HG SER A 65 -4.653 2.950 -6.573 1.00 51.14 H new ATOM 1026 N LEU A 66 -3.182 7.416 -3.911 1.00 53.42 N ATOM 1027 CA LEU A 66 -3.571 8.611 -3.155 1.00 23.11 C ATOM 1028 C LEU A 66 -3.092 9.886 -3.866 1.00 5.53 C ATOM 1029 O LEU A 66 -2.060 9.885 -4.533 1.00 22.14 O ATOM 1030 CB LEU A 66 -3.001 8.550 -1.732 1.00 54.13 C ATOM 1031 CG LEU A 66 -3.518 7.388 -0.866 1.00 74.32 C ATOM 1032 CD1 LEU A 66 -2.896 7.433 0.527 1.00 14.31 C ATOM 1033 CD2 LEU A 66 -5.044 7.418 -0.775 1.00 52.34 C ATOM 0 H LEU A 66 -2.347 6.948 -3.559 1.00 53.42 H new ATOM 0 HA LEU A 66 -4.659 8.639 -3.097 1.00 23.11 H new ATOM 0 HB2 LEU A 66 -1.915 8.479 -1.796 1.00 54.13 H new ATOM 0 HB3 LEU A 66 -3.230 9.488 -1.226 1.00 54.13 H new ATOM 0 HG LEU A 66 -3.222 6.453 -1.342 1.00 74.32 H new ATOM 0 HD11 LEU A 66 -3.276 6.602 1.122 1.00 14.31 H new ATOM 0 HD12 LEU A 66 -1.812 7.354 0.444 1.00 14.31 H new ATOM 0 HD13 LEU A 66 -3.155 8.375 1.011 1.00 14.31 H new ATOM 0 HD21 LEU A 66 -5.388 6.588 -0.158 1.00 52.34 H new ATOM 0 HD22 LEU A 66 -5.363 8.359 -0.328 1.00 52.34 H new ATOM 0 HD23 LEU A 66 -5.470 7.328 -1.774 1.00 52.34 H new ATOM 1045 N LYS A 67 -3.846 10.971 -3.720 1.00 50.23 N ATOM 1046 CA LYS A 67 -3.541 12.227 -4.418 1.00 21.13 C ATOM 1047 C LYS A 67 -3.204 13.367 -3.444 1.00 10.51 C ATOM 1048 O LYS A 67 -3.576 13.330 -2.270 1.00 71.41 O ATOM 1049 CB LYS A 67 -4.731 12.624 -5.305 1.00 65.10 C ATOM 1050 CG LYS A 67 -6.056 12.737 -4.546 1.00 24.40 C ATOM 1051 CD LYS A 67 -7.213 13.113 -5.470 1.00 22.31 C ATOM 1052 CE LYS A 67 -7.416 12.085 -6.579 1.00 64.21 C ATOM 1053 NZ LYS A 67 -8.510 12.476 -7.508 1.00 60.22 N ATOM 0 H LYS A 67 -4.674 11.011 -3.126 1.00 50.23 H new ATOM 0 HA LYS A 67 -2.657 12.059 -5.034 1.00 21.13 H new ATOM 0 HB2 LYS A 67 -4.514 13.580 -5.782 1.00 65.10 H new ATOM 0 HB3 LYS A 67 -4.841 11.888 -6.101 1.00 65.10 H new ATOM 0 HG2 LYS A 67 -6.276 11.788 -4.057 1.00 24.40 H new ATOM 0 HG3 LYS A 67 -5.961 13.486 -3.760 1.00 24.40 H new ATOM 0 HD2 LYS A 67 -8.129 13.202 -4.886 1.00 22.31 H new ATOM 0 HD3 LYS A 67 -7.021 14.090 -5.912 1.00 22.31 H new ATOM 0 HE2 LYS A 67 -6.489 11.969 -7.140 1.00 64.21 H new ATOM 0 HE3 LYS A 67 -7.645 11.115 -6.137 1.00 64.21 H new ATOM 0 HZ1 LYS A 67 -8.615 11.751 -8.246 1.00 60.22 H new ATOM 0 HZ2 LYS A 67 -9.401 12.562 -6.978 1.00 60.22 H new ATOM 0 HZ3 LYS A 67 -8.280 13.389 -7.950 1.00 60.22 H new ATOM 1067 N GLY A 68 -2.488 14.375 -3.946 1.00 3.55 N ATOM 1068 CA GLY A 68 -2.156 15.556 -3.150 1.00 62.34 C ATOM 1069 C GLY A 68 -1.442 15.239 -1.838 1.00 32.14 C ATOM 1070 O GLY A 68 -0.439 14.519 -1.823 1.00 11.31 O ATOM 0 H GLY A 68 -2.127 14.396 -4.900 1.00 3.55 H new ATOM 0 HA2 GLY A 68 -1.525 16.217 -3.745 1.00 62.34 H new ATOM 0 HA3 GLY A 68 -3.073 16.103 -2.930 1.00 62.34 H new ATOM 1074 N ARG A 69 -1.969 15.777 -0.736 1.00 53.14 N ATOM 1075 CA ARG A 69 -1.393 15.570 0.601 1.00 30.32 C ATOM 1076 C ARG A 69 -1.251 14.081 0.939 1.00 22.05 C ATOM 1077 O ARG A 69 -0.227 13.642 1.463 1.00 34.44 O ATOM 1078 CB ARG A 69 -2.271 16.244 1.662 1.00 52.41 C ATOM 1079 CG ARG A 69 -2.360 17.758 1.515 1.00 61.22 C ATOM 1080 CD ARG A 69 -3.310 18.373 2.535 1.00 0.03 C ATOM 1081 NE ARG A 69 -3.295 19.835 2.482 1.00 12.22 N ATOM 1082 CZ ARG A 69 -4.367 20.585 2.471 1.00 10.51 C ATOM 1083 NH1 ARG A 69 -5.546 20.050 2.442 1.00 42.54 N ATOM 1084 NH2 ARG A 69 -4.258 21.872 2.475 1.00 52.11 N ATOM 0 H ARG A 69 -2.802 16.366 -0.741 1.00 53.14 H new ATOM 0 HA ARG A 69 -0.398 16.016 0.597 1.00 30.32 H new ATOM 0 HB2 ARG A 69 -3.275 15.824 1.610 1.00 52.41 H new ATOM 0 HB3 ARG A 69 -1.877 16.007 2.650 1.00 52.41 H new ATOM 0 HG2 ARG A 69 -1.368 18.193 1.634 1.00 61.22 H new ATOM 0 HG3 ARG A 69 -2.698 18.006 0.509 1.00 61.22 H new ATOM 0 HD2 ARG A 69 -4.322 18.013 2.351 1.00 0.03 H new ATOM 0 HD3 ARG A 69 -3.031 18.043 3.536 1.00 0.03 H new ATOM 0 HE ARG A 69 -2.388 20.301 2.452 1.00 12.22 H new ATOM 0 HH11 ARG A 69 -5.645 19.035 2.428 1.00 42.54 H new ATOM 0 HH12 ARG A 69 -6.375 20.644 2.434 1.00 42.54 H new ATOM 0 HH21 ARG A 69 -3.335 22.306 2.487 1.00 52.11 H new ATOM 0 HH22 ARG A 69 -5.095 22.455 2.466 1.00 52.11 H new ATOM 1098 N ASP A 70 -2.295 13.315 0.642 1.00 72.34 N ATOM 1099 CA ASP A 70 -2.305 11.876 0.901 1.00 61.20 C ATOM 1100 C ASP A 70 -1.189 11.151 0.123 1.00 42.32 C ATOM 1101 O ASP A 70 -0.628 10.163 0.602 1.00 34.43 O ATOM 1102 CB ASP A 70 -3.677 11.302 0.540 1.00 23.35 C ATOM 1103 CG ASP A 70 -4.802 12.006 1.281 1.00 4.13 C ATOM 1104 OD1 ASP A 70 -5.181 13.123 0.864 1.00 54.32 O ATOM 1105 OD2 ASP A 70 -5.308 11.453 2.282 1.00 41.12 O ATOM 0 H ASP A 70 -3.153 13.668 0.218 1.00 72.34 H new ATOM 0 HA ASP A 70 -2.113 11.716 1.962 1.00 61.20 H new ATOM 0 HB2 ASP A 70 -3.837 11.394 -0.534 1.00 23.35 H new ATOM 0 HB3 ASP A 70 -3.698 10.238 0.775 1.00 23.35 H new ATOM 1110 N LEU A 71 -0.863 11.654 -1.071 1.00 72.02 N ATOM 1111 CA LEU A 71 0.238 11.096 -1.872 1.00 52.15 C ATOM 1112 C LEU A 71 1.579 11.323 -1.160 1.00 22.11 C ATOM 1113 O LEU A 71 2.344 10.386 -0.945 1.00 13.11 O ATOM 1114 CB LEU A 71 0.250 11.726 -3.279 1.00 10.23 C ATOM 1115 CG LEU A 71 1.207 11.082 -4.316 1.00 14.50 C ATOM 1116 CD1 LEU A 71 0.780 11.441 -5.737 1.00 34.51 C ATOM 1117 CD2 LEU A 71 2.658 11.513 -4.087 1.00 70.03 C ATOM 0 H LEU A 71 -1.341 12.443 -1.506 1.00 72.02 H new ATOM 0 HA LEU A 71 0.085 10.022 -1.982 1.00 52.15 H new ATOM 0 HB2 LEU A 71 -0.763 11.687 -3.679 1.00 10.23 H new ATOM 0 HB3 LEU A 71 0.513 12.779 -3.179 1.00 10.23 H new ATOM 0 HG LEU A 71 1.148 10.001 -4.185 1.00 14.50 H new ATOM 0 HD11 LEU A 71 1.464 10.980 -6.450 1.00 34.51 H new ATOM 0 HD12 LEU A 71 -0.231 11.076 -5.916 1.00 34.51 H new ATOM 0 HD13 LEU A 71 0.802 12.524 -5.861 1.00 34.51 H new ATOM 0 HD21 LEU A 71 3.299 11.042 -4.832 1.00 70.03 H new ATOM 0 HD22 LEU A 71 2.734 12.597 -4.176 1.00 70.03 H new ATOM 0 HD23 LEU A 71 2.975 11.207 -3.090 1.00 70.03 H new ATOM 1129 N ASP A 72 1.856 12.577 -0.799 1.00 3.21 N ATOM 1130 CA ASP A 72 3.077 12.918 -0.061 1.00 34.13 C ATOM 1131 C ASP A 72 3.159 12.161 1.274 1.00 60.12 C ATOM 1132 O ASP A 72 4.245 11.795 1.726 1.00 4.41 O ATOM 1133 CB ASP A 72 3.147 14.429 0.182 1.00 30.41 C ATOM 1134 CG ASP A 72 3.405 15.204 -1.097 1.00 34.31 C ATOM 1135 OD1 ASP A 72 4.587 15.354 -1.474 1.00 43.44 O ATOM 1136 OD2 ASP A 72 2.434 15.666 -1.731 1.00 24.23 O ATOM 0 H ASP A 72 1.253 13.374 -1.005 1.00 3.21 H new ATOM 0 HA ASP A 72 3.929 12.615 -0.670 1.00 34.13 H new ATOM 0 HB2 ASP A 72 2.211 14.767 0.627 1.00 30.41 H new ATOM 0 HB3 ASP A 72 3.938 14.643 0.901 1.00 30.41 H new ATOM 1141 N ARG A 73 2.004 11.932 1.898 1.00 75.50 N ATOM 1142 CA ARG A 73 1.929 11.154 3.139 1.00 43.53 C ATOM 1143 C ARG A 73 2.436 9.714 2.920 1.00 3.10 C ATOM 1144 O ARG A 73 3.363 9.252 3.599 1.00 11.12 O ATOM 1145 CB ARG A 73 0.480 11.131 3.653 1.00 40.12 C ATOM 1146 CG ARG A 73 0.305 10.383 4.971 1.00 31.32 C ATOM 1147 CD ARG A 73 -1.168 10.183 5.330 1.00 63.45 C ATOM 1148 NE ARG A 73 -1.869 11.440 5.593 1.00 23.14 N ATOM 1149 CZ ARG A 73 -3.069 11.713 5.146 1.00 33.45 C ATOM 1150 NH1 ARG A 73 -3.671 10.902 4.337 1.00 43.22 N ATOM 1151 NH2 ARG A 73 -3.667 12.797 5.506 1.00 0.43 N ATOM 0 H ARG A 73 1.103 12.275 1.565 1.00 75.50 H new ATOM 0 HA ARG A 73 2.569 11.630 3.883 1.00 43.53 H new ATOM 0 HB2 ARG A 73 0.133 12.157 3.779 1.00 40.12 H new ATOM 0 HB3 ARG A 73 -0.156 10.670 2.897 1.00 40.12 H new ATOM 0 HG2 ARG A 73 0.796 9.412 4.904 1.00 31.32 H new ATOM 0 HG3 ARG A 73 0.800 10.936 5.769 1.00 31.32 H new ATOM 0 HD2 ARG A 73 -1.667 9.659 4.515 1.00 63.45 H new ATOM 0 HD3 ARG A 73 -1.238 9.544 6.210 1.00 63.45 H new ATOM 0 HE ARG A 73 -1.395 12.145 6.158 1.00 23.14 H new ATOM 0 HH11 ARG A 73 -3.211 10.041 4.042 1.00 43.22 H new ATOM 0 HH12 ARG A 73 -4.606 11.124 3.994 1.00 43.22 H new ATOM 0 HH21 ARG A 73 -3.205 13.447 6.142 1.00 0.43 H new ATOM 0 HH22 ARG A 73 -4.602 13.005 5.155 1.00 0.43 H new ATOM 1165 N GLN A 74 1.828 9.013 1.964 1.00 73.12 N ATOM 1166 CA GLN A 74 2.214 7.630 1.656 1.00 2.45 C ATOM 1167 C GLN A 74 3.662 7.564 1.149 1.00 61.43 C ATOM 1168 O GLN A 74 4.431 6.678 1.532 1.00 73.51 O ATOM 1169 CB GLN A 74 1.261 7.025 0.612 1.00 1.42 C ATOM 1170 CG GLN A 74 1.398 5.510 0.474 1.00 4.22 C ATOM 1171 CD GLN A 74 0.443 4.901 -0.541 1.00 14.33 C ATOM 1172 OE1 GLN A 74 -0.626 5.433 -0.815 1.00 5.24 O ATOM 1173 NE2 GLN A 74 0.807 3.755 -1.079 1.00 43.32 N ATOM 0 H GLN A 74 1.068 9.376 1.389 1.00 73.12 H new ATOM 0 HA GLN A 74 2.145 7.049 2.575 1.00 2.45 H new ATOM 0 HB2 GLN A 74 0.234 7.266 0.885 1.00 1.42 H new ATOM 0 HB3 GLN A 74 1.451 7.490 -0.356 1.00 1.42 H new ATOM 0 HG2 GLN A 74 2.422 5.271 0.186 1.00 4.22 H new ATOM 0 HG3 GLN A 74 1.225 5.048 1.446 1.00 4.22 H new ATOM 0 HE21 GLN A 74 1.704 3.337 -0.831 1.00 43.32 H new ATOM 0 HE22 GLN A 74 0.192 3.286 -1.744 1.00 43.32 H new ATOM 1182 N LYS A 75 4.023 8.521 0.294 1.00 14.40 N ATOM 1183 CA LYS A 75 5.376 8.607 -0.261 1.00 61.45 C ATOM 1184 C LYS A 75 6.440 8.668 0.840 1.00 14.23 C ATOM 1185 O LYS A 75 7.294 7.787 0.939 1.00 25.51 O ATOM 1186 CB LYS A 75 5.514 9.851 -1.146 1.00 23.34 C ATOM 1187 CG LYS A 75 6.915 10.030 -1.724 1.00 11.42 C ATOM 1188 CD LYS A 75 7.099 11.398 -2.367 1.00 1.21 C ATOM 1189 CE LYS A 75 8.445 11.509 -3.076 1.00 43.13 C ATOM 1190 NZ LYS A 75 9.592 11.178 -2.191 1.00 61.10 N ATOM 0 H LYS A 75 3.392 9.253 -0.032 1.00 14.40 H new ATOM 0 HA LYS A 75 5.534 7.705 -0.853 1.00 61.45 H new ATOM 0 HB2 LYS A 75 4.797 9.787 -1.964 1.00 23.34 H new ATOM 0 HB3 LYS A 75 5.254 10.734 -0.562 1.00 23.34 H new ATOM 0 HG2 LYS A 75 7.653 9.900 -0.932 1.00 11.42 H new ATOM 0 HG3 LYS A 75 7.103 9.253 -2.465 1.00 11.42 H new ATOM 0 HD2 LYS A 75 6.295 11.576 -3.081 1.00 1.21 H new ATOM 0 HD3 LYS A 75 7.024 12.172 -1.604 1.00 1.21 H new ATOM 0 HE2 LYS A 75 8.453 10.841 -3.938 1.00 43.13 H new ATOM 0 HE3 LYS A 75 8.567 12.523 -3.457 1.00 43.13 H new ATOM 0 HZ1 LYS A 75 10.370 11.846 -2.367 1.00 61.10 H new ATOM 0 HZ2 LYS A 75 9.294 11.247 -1.197 1.00 61.10 H new ATOM 0 HZ3 LYS A 75 9.915 10.210 -2.389 1.00 61.10 H new ATOM 1204 N GLN A 76 6.382 9.717 1.665 1.00 43.01 N ATOM 1205 CA GLN A 76 7.393 9.946 2.703 1.00 62.21 C ATOM 1206 C GLN A 76 7.548 8.719 3.623 1.00 22.53 C ATOM 1207 O GLN A 76 8.655 8.395 4.065 1.00 14.40 O ATOM 1208 CB GLN A 76 7.038 11.186 3.539 1.00 43.32 C ATOM 1209 CG GLN A 76 5.727 11.055 4.308 1.00 21.53 C ATOM 1210 CD GLN A 76 5.427 12.263 5.175 1.00 64.42 C ATOM 1211 OE1 GLN A 76 5.802 12.312 6.343 1.00 63.11 O ATOM 1212 NE2 GLN A 76 4.765 13.253 4.612 1.00 44.14 N ATOM 0 H GLN A 76 5.645 10.422 1.635 1.00 43.01 H new ATOM 0 HA GLN A 76 8.345 10.115 2.200 1.00 62.21 H new ATOM 0 HB2 GLN A 76 7.845 11.380 4.246 1.00 43.32 H new ATOM 0 HB3 GLN A 76 6.977 12.052 2.880 1.00 43.32 H new ATOM 0 HG2 GLN A 76 4.910 10.910 3.601 1.00 21.53 H new ATOM 0 HG3 GLN A 76 5.767 10.165 4.936 1.00 21.53 H new ATOM 0 HE21 GLN A 76 4.468 13.180 3.639 1.00 44.14 H new ATOM 0 HE22 GLN A 76 4.549 14.093 5.149 1.00 44.14 H new ATOM 1221 N LYS A 77 6.430 8.043 3.913 1.00 3.12 N ATOM 1222 CA LYS A 77 6.459 6.813 4.715 1.00 34.35 C ATOM 1223 C LYS A 77 7.255 5.702 4.015 1.00 15.44 C ATOM 1224 O LYS A 77 8.060 5.010 4.642 1.00 43.22 O ATOM 1225 CB LYS A 77 5.033 6.333 5.011 1.00 22.34 C ATOM 1226 CG LYS A 77 4.268 7.245 5.963 1.00 63.34 C ATOM 1227 CD LYS A 77 4.978 7.362 7.310 1.00 34.41 C ATOM 1228 CE LYS A 77 4.226 8.270 8.270 1.00 65.54 C ATOM 1229 NZ LYS A 77 4.954 8.449 9.556 1.00 44.25 N ATOM 0 H LYS A 77 5.499 8.324 3.607 1.00 3.12 H new ATOM 0 HA LYS A 77 6.960 7.044 5.655 1.00 34.35 H new ATOM 0 HB2 LYS A 77 4.482 6.256 4.073 1.00 22.34 H new ATOM 0 HB3 LYS A 77 5.077 5.331 5.438 1.00 22.34 H new ATOM 0 HG2 LYS A 77 4.164 8.234 5.517 1.00 63.34 H new ATOM 0 HG3 LYS A 77 3.261 6.855 6.113 1.00 63.34 H new ATOM 0 HD2 LYS A 77 5.082 6.372 7.753 1.00 34.41 H new ATOM 0 HD3 LYS A 77 5.985 7.750 7.157 1.00 34.41 H new ATOM 0 HE2 LYS A 77 4.071 9.243 7.803 1.00 65.54 H new ATOM 0 HE3 LYS A 77 3.239 7.851 8.467 1.00 65.54 H new ATOM 0 HZ1 LYS A 77 4.270 8.607 10.323 1.00 44.25 H new ATOM 0 HZ2 LYS A 77 5.512 7.596 9.760 1.00 44.25 H new ATOM 0 HZ3 LYS A 77 5.589 9.269 9.484 1.00 44.25 H new ATOM 1243 N LEU A 78 7.029 5.543 2.713 1.00 1.12 N ATOM 1244 CA LEU A 78 7.755 4.550 1.910 1.00 34.00 C ATOM 1245 C LEU A 78 9.238 4.924 1.770 1.00 21.14 C ATOM 1246 O LEU A 78 10.111 4.051 1.725 1.00 4.11 O ATOM 1247 CB LEU A 78 7.096 4.404 0.535 1.00 73.30 C ATOM 1248 CG LEU A 78 5.667 3.838 0.572 1.00 32.22 C ATOM 1249 CD1 LEU A 78 5.028 3.878 -0.809 1.00 51.30 C ATOM 1250 CD2 LEU A 78 5.673 2.414 1.126 1.00 44.10 C ATOM 0 H LEU A 78 6.347 6.089 2.186 1.00 1.12 H new ATOM 0 HA LEU A 78 7.707 3.590 2.425 1.00 34.00 H new ATOM 0 HB2 LEU A 78 7.075 5.380 0.050 1.00 73.30 H new ATOM 0 HB3 LEU A 78 7.715 3.754 -0.084 1.00 73.30 H new ATOM 0 HG LEU A 78 5.069 4.464 1.234 1.00 32.22 H new ATOM 0 HD11 LEU A 78 4.018 3.472 -0.754 1.00 51.30 H new ATOM 0 HD12 LEU A 78 4.986 4.909 -1.161 1.00 51.30 H new ATOM 0 HD13 LEU A 78 5.622 3.282 -1.502 1.00 51.30 H new ATOM 0 HD21 LEU A 78 4.654 2.027 1.146 1.00 44.10 H new ATOM 0 HD22 LEU A 78 6.290 1.779 0.490 1.00 44.10 H new ATOM 0 HD23 LEU A 78 6.079 2.419 2.138 1.00 44.10 H new ATOM 1262 N GLU A 79 9.518 6.224 1.717 1.00 14.23 N ATOM 1263 CA GLU A 79 10.895 6.722 1.748 1.00 30.35 C ATOM 1264 C GLU A 79 11.598 6.243 3.029 1.00 5.11 C ATOM 1265 O GLU A 79 12.753 5.812 3.004 1.00 11.35 O ATOM 1266 CB GLU A 79 10.902 8.259 1.695 1.00 10.43 C ATOM 1267 CG GLU A 79 10.274 8.854 0.434 1.00 41.51 C ATOM 1268 CD GLU A 79 11.098 8.625 -0.822 1.00 0.11 C ATOM 1269 OE1 GLU A 79 12.336 8.528 -0.719 1.00 20.23 O ATOM 1270 OE2 GLU A 79 10.512 8.589 -1.923 1.00 44.21 O ATOM 0 H GLU A 79 8.809 6.955 1.652 1.00 14.23 H new ATOM 0 HA GLU A 79 11.429 6.334 0.881 1.00 30.35 H new ATOM 0 HB2 GLU A 79 10.370 8.642 2.566 1.00 10.43 H new ATOM 0 HB3 GLU A 79 11.932 8.608 1.772 1.00 10.43 H new ATOM 0 HG2 GLU A 79 9.284 8.421 0.293 1.00 41.51 H new ATOM 0 HG3 GLU A 79 10.136 9.926 0.578 1.00 41.51 H new ATOM 1277 N ALA A 80 10.868 6.300 4.146 1.00 1.45 N ATOM 1278 CA ALA A 80 11.375 5.837 5.443 1.00 2.23 C ATOM 1279 C ALA A 80 11.627 4.318 5.452 1.00 54.11 C ATOM 1280 O ALA A 80 12.390 3.805 6.276 1.00 72.31 O ATOM 1281 CB ALA A 80 10.395 6.217 6.548 1.00 42.13 C ATOM 0 H ALA A 80 9.916 6.665 4.179 1.00 1.45 H new ATOM 0 HA ALA A 80 12.332 6.327 5.621 1.00 2.23 H new ATOM 0 HB1 ALA A 80 10.777 5.870 7.508 1.00 42.13 H new ATOM 0 HB2 ALA A 80 10.278 7.300 6.574 1.00 42.13 H new ATOM 0 HB3 ALA A 80 9.429 5.752 6.353 1.00 42.13 H new ATOM 1287 N GLU A 81 10.978 3.604 4.535 1.00 21.50 N ATOM 1288 CA GLU A 81 11.161 2.152 4.401 1.00 33.11 C ATOM 1289 C GLU A 81 12.372 1.815 3.514 1.00 33.33 C ATOM 1290 O GLU A 81 12.794 0.661 3.434 1.00 33.34 O ATOM 1291 CB GLU A 81 9.894 1.517 3.807 1.00 42.03 C ATOM 1292 CG GLU A 81 8.616 1.850 4.571 1.00 40.35 C ATOM 1293 CD GLU A 81 8.579 1.264 5.973 1.00 74.44 C ATOM 1294 OE1 GLU A 81 9.119 1.892 6.905 1.00 0.53 O ATOM 1295 OE2 GLU A 81 7.998 0.176 6.154 1.00 40.14 O ATOM 0 H GLU A 81 10.317 4.005 3.869 1.00 21.50 H new ATOM 0 HA GLU A 81 11.346 1.746 5.396 1.00 33.11 H new ATOM 0 HB2 GLU A 81 9.784 1.848 2.774 1.00 42.03 H new ATOM 0 HB3 GLU A 81 10.019 0.434 3.783 1.00 42.03 H new ATOM 0 HG2 GLU A 81 8.512 2.933 4.635 1.00 40.35 H new ATOM 0 HG3 GLU A 81 7.759 1.480 4.008 1.00 40.35 H new ATOM 1302 N GLY A 82 12.922 2.834 2.851 1.00 72.13 N ATOM 1303 CA GLY A 82 14.044 2.627 1.938 1.00 0.31 C ATOM 1304 C GLY A 82 13.594 2.341 0.506 1.00 43.02 C ATOM 1305 O GLY A 82 14.312 1.701 -0.268 1.00 12.54 O ATOM 0 H GLY A 82 12.611 3.802 2.929 1.00 72.13 H new ATOM 0 HA2 GLY A 82 14.680 3.512 1.945 1.00 0.31 H new ATOM 0 HA3 GLY A 82 14.650 1.795 2.297 1.00 0.31 H new ATOM 1309 N ILE A 83 12.403 2.823 0.153 1.00 62.52 N ATOM 1310 CA ILE A 83 11.812 2.578 -1.168 1.00 40.41 C ATOM 1311 C ILE A 83 11.946 3.804 -2.090 1.00 20.45 C ATOM 1312 O ILE A 83 11.898 4.945 -1.636 1.00 24.20 O ATOM 1313 CB ILE A 83 10.318 2.190 -1.020 1.00 11.14 C ATOM 1314 CG1 ILE A 83 10.188 0.953 -0.115 1.00 61.31 C ATOM 1315 CG2 ILE A 83 9.675 1.936 -2.385 1.00 13.30 C ATOM 1316 CD1 ILE A 83 8.762 0.532 0.151 1.00 32.10 C ATOM 0 H ILE A 83 11.821 3.391 0.768 1.00 62.52 H new ATOM 0 HA ILE A 83 12.359 1.754 -1.626 1.00 40.41 H new ATOM 0 HB ILE A 83 9.787 3.023 -0.558 1.00 11.14 H new ATOM 0 HG12 ILE A 83 10.721 0.121 -0.575 1.00 61.31 H new ATOM 0 HG13 ILE A 83 10.679 1.159 0.836 1.00 61.31 H new ATOM 0 HG21 ILE A 83 8.628 1.666 -2.249 1.00 13.30 H new ATOM 0 HG22 ILE A 83 9.741 2.839 -2.992 1.00 13.30 H new ATOM 0 HG23 ILE A 83 10.197 1.122 -2.887 1.00 13.30 H new ATOM 0 HD11 ILE A 83 8.756 -0.346 0.796 1.00 32.10 H new ATOM 0 HD12 ILE A 83 8.228 1.346 0.641 1.00 32.10 H new ATOM 0 HD13 ILE A 83 8.271 0.292 -0.792 1.00 32.10 H new ATOM 1328 N GLU A 84 12.120 3.559 -3.389 1.00 52.24 N ATOM 1329 CA GLU A 84 12.271 4.639 -4.370 1.00 61.43 C ATOM 1330 C GLU A 84 10.916 5.106 -4.915 1.00 24.24 C ATOM 1331 O GLU A 84 10.375 4.502 -5.844 1.00 61.53 O ATOM 1332 CB GLU A 84 13.143 4.175 -5.544 1.00 42.00 C ATOM 1333 CG GLU A 84 14.560 3.774 -5.159 1.00 33.05 C ATOM 1334 CD GLU A 84 15.333 3.203 -6.337 1.00 41.11 C ATOM 1335 OE1 GLU A 84 15.199 1.990 -6.608 1.00 23.30 O ATOM 1336 OE2 GLU A 84 16.056 3.966 -7.009 1.00 14.24 O ATOM 0 H GLU A 84 12.160 2.621 -3.789 1.00 52.24 H new ATOM 0 HA GLU A 84 12.747 5.474 -3.856 1.00 61.43 H new ATOM 0 HB2 GLU A 84 12.658 3.327 -6.027 1.00 42.00 H new ATOM 0 HB3 GLU A 84 13.193 4.976 -6.281 1.00 42.00 H new ATOM 0 HG2 GLU A 84 15.088 4.643 -4.766 1.00 33.05 H new ATOM 0 HG3 GLU A 84 14.522 3.035 -4.358 1.00 33.05 H new ATOM 1343 N VAL A 85 10.355 6.163 -4.333 1.00 74.34 N ATOM 1344 CA VAL A 85 9.140 6.769 -4.882 1.00 3.54 C ATOM 1345 C VAL A 85 9.501 7.957 -5.785 1.00 62.24 C ATOM 1346 O VAL A 85 9.776 9.061 -5.308 1.00 24.20 O ATOM 1347 CB VAL A 85 8.161 7.236 -3.778 1.00 13.14 C ATOM 1348 CG1 VAL A 85 6.835 7.691 -4.391 1.00 72.24 C ATOM 1349 CG2 VAL A 85 7.939 6.128 -2.748 1.00 4.44 C ATOM 0 H VAL A 85 10.715 6.615 -3.492 1.00 74.34 H new ATOM 0 HA VAL A 85 8.636 5.998 -5.465 1.00 3.54 H new ATOM 0 HB VAL A 85 8.604 8.088 -3.263 1.00 13.14 H new ATOM 0 HG11 VAL A 85 6.160 8.015 -3.599 1.00 72.24 H new ATOM 0 HG12 VAL A 85 7.016 8.520 -5.076 1.00 72.24 H new ATOM 0 HG13 VAL A 85 6.383 6.862 -4.936 1.00 72.24 H new ATOM 0 HG21 VAL A 85 7.248 6.477 -1.981 1.00 4.44 H new ATOM 0 HG22 VAL A 85 7.520 5.251 -3.242 1.00 4.44 H new ATOM 0 HG23 VAL A 85 8.891 5.865 -2.286 1.00 4.44 H new ATOM 1359 N SER A 86 9.528 7.705 -7.093 1.00 15.25 N ATOM 1360 CA SER A 86 9.895 8.720 -8.087 1.00 24.15 C ATOM 1361 C SER A 86 9.007 9.968 -8.001 1.00 60.33 C ATOM 1362 O SER A 86 7.836 9.883 -7.630 1.00 23.13 O ATOM 1363 CB SER A 86 9.824 8.140 -9.505 1.00 13.42 C ATOM 1364 OG SER A 86 10.688 7.023 -9.650 1.00 64.01 O ATOM 0 H SER A 86 9.298 6.796 -7.495 1.00 15.25 H new ATOM 0 HA SER A 86 10.919 9.020 -7.863 1.00 24.15 H new ATOM 0 HB2 SER A 86 8.800 7.841 -9.727 1.00 13.42 H new ATOM 0 HB3 SER A 86 10.096 8.909 -10.229 1.00 13.42 H new ATOM 0 HG SER A 86 10.620 6.673 -10.563 1.00 64.01 H new ATOM 1370 N GLU A 87 9.583 11.099 -8.416 1.00 62.44 N ATOM 1371 CA GLU A 87 8.995 12.445 -8.270 1.00 44.15 C ATOM 1372 C GLU A 87 7.481 12.531 -8.557 1.00 45.51 C ATOM 1373 O GLU A 87 6.767 13.289 -7.895 1.00 71.20 O ATOM 1374 CB GLU A 87 9.753 13.418 -9.183 1.00 72.32 C ATOM 1375 CG GLU A 87 9.774 12.999 -10.655 1.00 5.43 C ATOM 1376 CD GLU A 87 10.674 13.881 -11.510 1.00 64.32 C ATOM 1377 OE1 GLU A 87 10.291 15.035 -11.793 1.00 15.31 O ATOM 1378 OE2 GLU A 87 11.777 13.429 -11.895 1.00 30.13 O ATOM 0 H GLU A 87 10.494 11.111 -8.875 1.00 62.44 H new ATOM 0 HA GLU A 87 9.101 12.711 -7.218 1.00 44.15 H new ATOM 0 HB2 GLU A 87 9.298 14.405 -9.103 1.00 72.32 H new ATOM 0 HB3 GLU A 87 10.779 13.510 -8.827 1.00 72.32 H new ATOM 0 HG2 GLU A 87 10.111 11.965 -10.728 1.00 5.43 H new ATOM 0 HG3 GLU A 87 8.759 13.032 -11.051 1.00 5.43 H new ATOM 1385 N ILE A 88 6.990 11.777 -9.536 1.00 64.21 N ATOM 1386 CA ILE A 88 5.571 11.855 -9.929 1.00 54.25 C ATOM 1387 C ILE A 88 4.691 10.820 -9.194 1.00 22.13 C ATOM 1388 O ILE A 88 3.534 10.613 -9.557 1.00 41.13 O ATOM 1389 CB ILE A 88 5.409 11.711 -11.472 1.00 64.11 C ATOM 1390 CG1 ILE A 88 6.054 10.408 -12.000 1.00 61.02 C ATOM 1391 CG2 ILE A 88 6.003 12.929 -12.179 1.00 23.12 C ATOM 1392 CD1 ILE A 88 5.175 9.177 -11.886 1.00 14.33 C ATOM 0 H ILE A 88 7.542 11.108 -10.073 1.00 64.21 H new ATOM 0 HA ILE A 88 5.221 12.843 -9.629 1.00 54.25 H new ATOM 0 HB ILE A 88 4.343 11.656 -11.691 1.00 64.11 H new ATOM 0 HG12 ILE A 88 6.324 10.550 -13.046 1.00 61.02 H new ATOM 0 HG13 ILE A 88 6.980 10.229 -11.453 1.00 61.02 H new ATOM 0 HG21 ILE A 88 5.884 12.818 -13.257 1.00 23.12 H new ATOM 0 HG22 ILE A 88 5.486 13.830 -11.848 1.00 23.12 H new ATOM 0 HG23 ILE A 88 7.063 13.009 -11.937 1.00 23.12 H new ATOM 0 HD11 ILE A 88 5.708 8.312 -12.280 1.00 14.33 H new ATOM 0 HD12 ILE A 88 4.925 9.004 -10.839 1.00 14.33 H new ATOM 0 HD13 ILE A 88 4.259 9.330 -12.457 1.00 14.33 H new ATOM 1404 N GLY A 89 5.232 10.203 -8.146 1.00 2.52 N ATOM 1405 CA GLY A 89 4.495 9.189 -7.388 1.00 0.03 C ATOM 1406 C GLY A 89 4.592 7.787 -7.993 1.00 25.53 C ATOM 1407 O GLY A 89 3.601 7.054 -8.047 1.00 20.51 O ATOM 0 H GLY A 89 6.175 10.385 -7.801 1.00 2.52 H new ATOM 0 HA2 GLY A 89 4.875 9.163 -6.367 1.00 0.03 H new ATOM 0 HA3 GLY A 89 3.446 9.480 -7.331 1.00 0.03 H new ATOM 1411 N LYS A 90 5.793 7.406 -8.431 1.00 32.35 N ATOM 1412 CA LYS A 90 6.011 6.096 -9.078 1.00 22.42 C ATOM 1413 C LYS A 90 6.963 5.213 -8.254 1.00 31.33 C ATOM 1414 O LYS A 90 7.921 5.705 -7.669 1.00 14.34 O ATOM 1415 CB LYS A 90 6.583 6.305 -10.488 1.00 54.10 C ATOM 1416 CG LYS A 90 6.916 5.017 -11.240 1.00 63.04 C ATOM 1417 CD LYS A 90 7.565 5.312 -12.591 1.00 21.41 C ATOM 1418 CE LYS A 90 7.937 4.034 -13.338 1.00 41.33 C ATOM 1419 NZ LYS A 90 6.748 3.209 -13.672 1.00 20.24 N ATOM 0 H LYS A 90 6.633 7.979 -8.353 1.00 32.35 H new ATOM 0 HA LYS A 90 5.050 5.585 -9.141 1.00 22.42 H new ATOM 0 HB2 LYS A 90 5.865 6.877 -11.075 1.00 54.10 H new ATOM 0 HB3 LYS A 90 7.487 6.910 -10.413 1.00 54.10 H new ATOM 0 HG2 LYS A 90 7.588 4.406 -10.638 1.00 63.04 H new ATOM 0 HG3 LYS A 90 6.006 4.436 -11.391 1.00 63.04 H new ATOM 0 HD2 LYS A 90 6.881 5.902 -13.201 1.00 21.41 H new ATOM 0 HD3 LYS A 90 8.459 5.917 -12.439 1.00 21.41 H new ATOM 0 HE2 LYS A 90 8.466 4.293 -14.255 1.00 41.33 H new ATOM 0 HE3 LYS A 90 8.624 3.447 -12.729 1.00 41.33 H new ATOM 0 HZ1 LYS A 90 7.033 2.425 -14.293 1.00 20.24 H new ATOM 0 HZ2 LYS A 90 6.335 2.826 -12.798 1.00 20.24 H new ATOM 0 HZ3 LYS A 90 6.043 3.798 -14.159 1.00 20.24 H new ATOM 1433 N ILE A 91 6.697 3.908 -8.212 1.00 4.10 N ATOM 1434 CA ILE A 91 7.541 2.970 -7.456 1.00 52.31 C ATOM 1435 C ILE A 91 7.958 1.763 -8.316 1.00 32.24 C ATOM 1436 O ILE A 91 7.207 1.313 -9.181 1.00 55.12 O ATOM 1437 CB ILE A 91 6.809 2.456 -6.188 1.00 42.15 C ATOM 1438 CG1 ILE A 91 6.337 3.637 -5.325 1.00 61.13 C ATOM 1439 CG2 ILE A 91 7.714 1.526 -5.378 1.00 32.10 C ATOM 1440 CD1 ILE A 91 5.498 3.233 -4.132 1.00 21.05 C ATOM 0 H ILE A 91 5.908 3.473 -8.689 1.00 4.10 H new ATOM 0 HA ILE A 91 8.434 3.521 -7.161 1.00 52.31 H new ATOM 0 HB ILE A 91 5.935 1.887 -6.505 1.00 42.15 H new ATOM 0 HG12 ILE A 91 7.209 4.187 -4.973 1.00 61.13 H new ATOM 0 HG13 ILE A 91 5.759 4.320 -5.948 1.00 61.13 H new ATOM 0 HG21 ILE A 91 7.180 1.178 -4.494 1.00 32.10 H new ATOM 0 HG22 ILE A 91 7.998 0.670 -5.991 1.00 32.10 H new ATOM 0 HG23 ILE A 91 8.610 2.066 -5.072 1.00 32.10 H new ATOM 0 HD11 ILE A 91 5.205 4.123 -3.575 1.00 21.05 H new ATOM 0 HD12 ILE A 91 4.606 2.710 -4.475 1.00 21.05 H new ATOM 0 HD13 ILE A 91 6.078 2.575 -3.485 1.00 21.05 H new ATOM 1452 N ALA A 92 9.162 1.246 -8.072 1.00 31.44 N ATOM 1453 CA ALA A 92 9.661 0.059 -8.783 1.00 51.41 C ATOM 1454 C ALA A 92 9.200 -1.244 -8.104 1.00 44.12 C ATOM 1455 O ALA A 92 9.808 -1.703 -7.132 1.00 21.53 O ATOM 1456 CB ALA A 92 11.187 0.104 -8.874 1.00 31.34 C ATOM 0 H ALA A 92 9.814 1.628 -7.387 1.00 31.44 H new ATOM 0 HA ALA A 92 9.243 0.070 -9.790 1.00 51.41 H new ATOM 0 HB1 ALA A 92 11.546 -0.779 -9.402 1.00 31.34 H new ATOM 0 HB2 ALA A 92 11.493 1.000 -9.415 1.00 31.34 H new ATOM 0 HB3 ALA A 92 11.611 0.124 -7.870 1.00 31.34 H new ATOM 1462 N LEU A 93 8.122 -1.837 -8.619 1.00 12.12 N ATOM 1463 CA LEU A 93 7.570 -3.077 -8.054 1.00 61.13 C ATOM 1464 C LEU A 93 8.584 -4.228 -8.093 1.00 51.43 C ATOM 1465 O LEU A 93 8.903 -4.813 -7.063 1.00 53.54 O ATOM 1466 CB LEU A 93 6.291 -3.490 -8.802 1.00 32.52 C ATOM 1467 CG LEU A 93 5.057 -2.611 -8.538 1.00 41.31 C ATOM 1468 CD1 LEU A 93 3.863 -3.082 -9.368 1.00 5.50 C ATOM 1469 CD2 LEU A 93 4.706 -2.616 -7.052 1.00 61.43 C ATOM 0 H LEU A 93 7.611 -1.481 -9.427 1.00 12.12 H new ATOM 0 HA LEU A 93 7.331 -2.873 -7.010 1.00 61.13 H new ATOM 0 HB2 LEU A 93 6.498 -3.483 -9.872 1.00 32.52 H new ATOM 0 HB3 LEU A 93 6.048 -4.518 -8.531 1.00 32.52 H new ATOM 0 HG LEU A 93 5.298 -1.591 -8.837 1.00 41.31 H new ATOM 0 HD11 LEU A 93 3.003 -2.444 -9.163 1.00 5.50 H new ATOM 0 HD12 LEU A 93 4.112 -3.026 -10.428 1.00 5.50 H new ATOM 0 HD13 LEU A 93 3.621 -4.112 -9.106 1.00 5.50 H new ATOM 0 HD21 LEU A 93 3.831 -1.989 -6.883 1.00 61.43 H new ATOM 0 HD22 LEU A 93 4.489 -3.635 -6.733 1.00 61.43 H new ATOM 0 HD23 LEU A 93 5.547 -2.227 -6.478 1.00 61.43 H new ATOM 1481 N ARG A 94 9.110 -4.529 -9.279 1.00 43.12 N ATOM 1482 CA ARG A 94 10.021 -5.671 -9.462 1.00 71.25 C ATOM 1483 C ARG A 94 11.269 -5.605 -8.553 1.00 25.04 C ATOM 1484 O ARG A 94 12.034 -6.569 -8.477 1.00 23.44 O ATOM 1485 CB ARG A 94 10.449 -5.775 -10.932 1.00 62.12 C ATOM 1486 CG ARG A 94 9.300 -6.078 -11.890 1.00 34.44 C ATOM 1487 CD ARG A 94 9.785 -6.215 -13.334 1.00 62.51 C ATOM 1488 NE ARG A 94 10.835 -7.229 -13.470 1.00 13.03 N ATOM 1489 CZ ARG A 94 11.069 -7.918 -14.555 1.00 41.13 C ATOM 1490 NH1 ARG A 94 10.347 -7.750 -15.617 1.00 44.15 N ATOM 1491 NH2 ARG A 94 12.040 -8.774 -14.571 1.00 73.21 N ATOM 0 H ARG A 94 8.924 -4.001 -10.132 1.00 43.12 H new ATOM 0 HA ARG A 94 9.466 -6.562 -9.171 1.00 71.25 H new ATOM 0 HB2 ARG A 94 10.921 -4.839 -11.230 1.00 62.12 H new ATOM 0 HB3 ARG A 94 11.203 -6.556 -11.026 1.00 62.12 H new ATOM 0 HG2 ARG A 94 8.805 -7.000 -11.584 1.00 34.44 H new ATOM 0 HG3 ARG A 94 8.557 -5.282 -11.830 1.00 34.44 H new ATOM 0 HD2 ARG A 94 8.943 -6.477 -13.975 1.00 62.51 H new ATOM 0 HD3 ARG A 94 10.163 -5.254 -13.682 1.00 62.51 H new ATOM 0 HE ARG A 94 11.426 -7.410 -12.658 1.00 13.03 H new ATOM 0 HH11 ARG A 94 9.584 -7.073 -15.613 1.00 44.15 H new ATOM 0 HH12 ARG A 94 10.541 -8.295 -16.457 1.00 44.15 H new ATOM 0 HH21 ARG A 94 12.616 -8.907 -13.740 1.00 73.21 H new ATOM 0 HH22 ARG A 94 12.229 -9.316 -15.415 1.00 73.21 H new ATOM 1505 N LYS A 95 11.476 -4.474 -7.875 1.00 5.45 N ATOM 1506 CA LYS A 95 12.601 -4.328 -6.940 1.00 30.34 C ATOM 1507 C LYS A 95 12.134 -4.382 -5.471 1.00 12.10 C ATOM 1508 O LYS A 95 12.812 -4.958 -4.617 1.00 64.10 O ATOM 1509 CB LYS A 95 13.343 -3.005 -7.190 1.00 53.23 C ATOM 1510 CG LYS A 95 14.571 -2.823 -6.298 1.00 44.51 C ATOM 1511 CD LYS A 95 15.241 -1.465 -6.491 1.00 42.54 C ATOM 1512 CE LYS A 95 15.741 -1.261 -7.915 1.00 13.24 C ATOM 1513 NZ LYS A 95 16.473 0.023 -8.065 1.00 72.50 N ATOM 0 H LYS A 95 10.884 -3.647 -7.953 1.00 5.45 H new ATOM 0 HA LYS A 95 13.276 -5.165 -7.117 1.00 30.34 H new ATOM 0 HB2 LYS A 95 13.651 -2.961 -8.235 1.00 53.23 H new ATOM 0 HB3 LYS A 95 12.656 -2.175 -7.025 1.00 53.23 H new ATOM 0 HG2 LYS A 95 14.277 -2.934 -5.254 1.00 44.51 H new ATOM 0 HG3 LYS A 95 15.291 -3.613 -6.512 1.00 44.51 H new ATOM 0 HD2 LYS A 95 14.533 -0.675 -6.241 1.00 42.54 H new ATOM 0 HD3 LYS A 95 16.078 -1.374 -5.799 1.00 42.54 H new ATOM 0 HE2 LYS A 95 16.396 -2.087 -8.192 1.00 13.24 H new ATOM 0 HE3 LYS A 95 14.896 -1.280 -8.603 1.00 13.24 H new ATOM 0 HZ1 LYS A 95 16.575 0.249 -9.075 1.00 72.50 H new ATOM 0 HZ2 LYS A 95 15.942 0.782 -7.592 1.00 72.50 H new ATOM 0 HZ3 LYS A 95 17.415 -0.062 -7.633 1.00 72.50 H new ATOM 1527 N TYR A 96 10.973 -3.794 -5.180 1.00 42.41 N ATOM 1528 CA TYR A 96 10.504 -3.653 -3.792 1.00 54.22 C ATOM 1529 C TYR A 96 9.207 -4.426 -3.536 1.00 70.23 C ATOM 1530 O TYR A 96 8.554 -4.225 -2.516 1.00 32.02 O ATOM 1531 CB TYR A 96 10.287 -2.172 -3.452 1.00 15.35 C ATOM 1532 CG TYR A 96 11.558 -1.346 -3.477 1.00 43.32 C ATOM 1533 CD1 TYR A 96 12.558 -1.555 -2.536 1.00 65.14 C ATOM 1534 CD2 TYR A 96 11.754 -0.357 -4.436 1.00 32.14 C ATOM 1535 CE1 TYR A 96 13.718 -0.806 -2.549 1.00 51.50 C ATOM 1536 CE2 TYR A 96 12.911 0.396 -4.454 1.00 0.45 C ATOM 1537 CZ TYR A 96 13.890 0.169 -3.506 1.00 14.55 C ATOM 1538 OH TYR A 96 15.049 0.914 -3.520 1.00 11.05 O ATOM 0 H TYR A 96 10.339 -3.408 -5.880 1.00 42.41 H new ATOM 0 HA TYR A 96 11.278 -4.074 -3.151 1.00 54.22 H new ATOM 0 HB2 TYR A 96 9.575 -1.747 -4.159 1.00 15.35 H new ATOM 0 HB3 TYR A 96 9.836 -2.098 -2.462 1.00 15.35 H new ATOM 0 HD1 TYR A 96 12.426 -2.316 -1.781 1.00 65.14 H new ATOM 0 HD2 TYR A 96 10.990 -0.176 -5.177 1.00 32.14 H new ATOM 0 HE1 TYR A 96 14.487 -0.984 -1.812 1.00 51.50 H new ATOM 0 HE2 TYR A 96 13.050 1.159 -5.206 1.00 0.45 H new ATOM 0 HH TYR A 96 15.339 1.050 -4.446 1.00 11.05 H new ATOM 1548 N LYS A 97 8.840 -5.312 -4.451 1.00 34.51 N ATOM 1549 CA LYS A 97 7.601 -6.071 -4.321 1.00 25.22 C ATOM 1550 C LYS A 97 7.648 -7.022 -3.114 1.00 3.30 C ATOM 1551 O LYS A 97 8.668 -7.661 -2.846 1.00 14.52 O ATOM 1552 CB LYS A 97 7.340 -6.870 -5.599 1.00 44.24 C ATOM 1553 CG LYS A 97 5.951 -7.479 -5.659 1.00 31.00 C ATOM 1554 CD LYS A 97 5.783 -8.364 -6.884 1.00 21.32 C ATOM 1555 CE LYS A 97 4.452 -9.108 -6.866 1.00 20.15 C ATOM 1556 NZ LYS A 97 4.371 -10.125 -7.947 1.00 63.51 N ATOM 0 H LYS A 97 9.380 -5.524 -5.290 1.00 34.51 H new ATOM 0 HA LYS A 97 6.790 -5.361 -4.161 1.00 25.22 H new ATOM 0 HB2 LYS A 97 7.480 -6.217 -6.461 1.00 44.24 H new ATOM 0 HB3 LYS A 97 8.081 -7.666 -5.678 1.00 44.24 H new ATOM 0 HG2 LYS A 97 5.770 -8.065 -4.758 1.00 31.00 H new ATOM 0 HG3 LYS A 97 5.205 -6.685 -5.678 1.00 31.00 H new ATOM 0 HD2 LYS A 97 5.846 -7.754 -7.785 1.00 21.32 H new ATOM 0 HD3 LYS A 97 6.601 -9.083 -6.928 1.00 21.32 H new ATOM 0 HE2 LYS A 97 4.321 -9.594 -5.899 1.00 20.15 H new ATOM 0 HE3 LYS A 97 3.636 -8.394 -6.977 1.00 20.15 H new ATOM 0 HZ1 LYS A 97 3.451 -10.609 -7.901 1.00 63.51 H new ATOM 0 HZ2 LYS A 97 4.470 -9.658 -8.871 1.00 63.51 H new ATOM 0 HZ3 LYS A 97 5.134 -10.821 -7.827 1.00 63.51 H new ATOM 1570 N TRP A 98 6.538 -7.109 -2.389 1.00 41.22 N ATOM 1571 CA TRP A 98 6.434 -7.993 -1.226 1.00 54.22 C ATOM 1572 C TRP A 98 6.663 -9.462 -1.615 1.00 33.40 C ATOM 1573 O TRP A 98 5.861 -10.062 -2.330 1.00 74.42 O ATOM 1574 CB TRP A 98 5.061 -7.819 -0.559 1.00 52.42 C ATOM 1575 CG TRP A 98 4.788 -8.782 0.564 1.00 1.45 C ATOM 1576 CD1 TRP A 98 5.696 -9.338 1.422 1.00 71.45 C ATOM 1577 CD2 TRP A 98 3.510 -9.288 0.953 1.00 11.21 C ATOM 1578 NE1 TRP A 98 5.058 -10.165 2.312 1.00 71.32 N ATOM 1579 CE2 TRP A 98 3.715 -10.149 2.045 1.00 1.44 C ATOM 1580 CE3 TRP A 98 2.210 -9.096 0.479 1.00 75.14 C ATOM 1581 CZ2 TRP A 98 2.668 -10.815 2.674 1.00 42.11 C ATOM 1582 CZ3 TRP A 98 1.171 -9.756 1.104 1.00 63.11 C ATOM 1583 CH2 TRP A 98 1.404 -10.609 2.192 1.00 61.22 C ATOM 0 H TRP A 98 5.691 -6.576 -2.585 1.00 41.22 H new ATOM 0 HA TRP A 98 7.214 -7.716 -0.516 1.00 54.22 H new ATOM 0 HB2 TRP A 98 4.983 -6.802 -0.176 1.00 52.42 H new ATOM 0 HB3 TRP A 98 4.286 -7.934 -1.316 1.00 52.42 H new ATOM 0 HD1 TRP A 98 6.760 -9.153 1.402 1.00 71.45 H new ATOM 0 HE1 TRP A 98 5.510 -10.703 3.051 1.00 71.32 H new ATOM 0 HE3 TRP A 98 2.021 -8.443 -0.361 1.00 75.14 H new ATOM 0 HZ2 TRP A 98 2.846 -11.471 3.513 1.00 42.11 H new ATOM 0 HZ3 TRP A 98 0.161 -9.613 0.749 1.00 63.11 H new ATOM 0 HH2 TRP A 98 0.570 -11.113 2.658 1.00 61.22 H new ATOM 1594 N GLN A 99 7.776 -10.024 -1.150 1.00 32.22 N ATOM 1595 CA GLN A 99 8.104 -11.433 -1.389 1.00 64.32 C ATOM 1596 C GLN A 99 7.931 -12.266 -0.104 1.00 65.02 C ATOM 1597 O GLN A 99 8.848 -12.344 0.713 1.00 4.53 O ATOM 1598 CB GLN A 99 9.549 -11.554 -1.898 1.00 32.13 C ATOM 1599 CG GLN A 99 9.793 -10.870 -3.243 1.00 61.21 C ATOM 1600 CD GLN A 99 11.266 -10.823 -3.619 1.00 4.12 C ATOM 1601 OE1 GLN A 99 12.141 -10.732 -2.759 1.00 34.34 O ATOM 1602 NE2 GLN A 99 11.557 -10.894 -4.903 1.00 53.01 N ATOM 0 H GLN A 99 8.474 -9.522 -0.600 1.00 32.22 H new ATOM 0 HA GLN A 99 7.419 -11.820 -2.143 1.00 64.32 H new ATOM 0 HB2 GLN A 99 10.222 -11.124 -1.156 1.00 32.13 H new ATOM 0 HB3 GLN A 99 9.805 -12.610 -1.987 1.00 32.13 H new ATOM 0 HG2 GLN A 99 9.241 -11.398 -4.020 1.00 61.21 H new ATOM 0 HG3 GLN A 99 9.399 -9.854 -3.206 1.00 61.21 H new ATOM 0 HE21 GLN A 99 10.809 -10.969 -5.592 1.00 53.01 H new ATOM 0 HE22 GLN A 99 12.530 -10.874 -5.207 1.00 53.01 H new ATOM 1611 N PRO A 100 6.738 -12.866 0.109 1.00 34.51 N ATOM 1612 CA PRO A 100 6.478 -13.725 1.282 1.00 44.24 C ATOM 1613 C PRO A 100 7.125 -15.119 1.161 1.00 62.44 C ATOM 1614 O PRO A 100 7.520 -15.723 2.158 1.00 53.15 O ATOM 1615 CB PRO A 100 4.947 -13.836 1.292 1.00 40.41 C ATOM 1616 CG PRO A 100 4.552 -13.693 -0.141 1.00 12.13 C ATOM 1617 CD PRO A 100 5.544 -12.732 -0.752 1.00 40.34 C ATOM 0 HA PRO A 100 6.902 -13.308 2.196 1.00 44.24 H new ATOM 0 HB2 PRO A 100 4.621 -14.793 1.700 1.00 40.41 H new ATOM 0 HB3 PRO A 100 4.497 -13.057 1.907 1.00 40.41 H new ATOM 0 HG2 PRO A 100 4.577 -14.656 -0.651 1.00 12.13 H new ATOM 0 HG3 PRO A 100 3.535 -13.312 -0.229 1.00 12.13 H new ATOM 0 HD2 PRO A 100 5.766 -12.990 -1.787 1.00 40.34 H new ATOM 0 HD3 PRO A 100 5.164 -11.711 -0.753 1.00 40.34 H new ATOM 1625 N LEU A 101 7.227 -15.625 -0.070 1.00 10.24 N ATOM 1626 CA LEU A 101 7.820 -16.946 -0.322 1.00 51.22 C ATOM 1627 C LEU A 101 9.287 -16.816 -0.760 1.00 42.41 C ATOM 1628 O LEU A 101 9.579 -16.331 -1.857 1.00 12.51 O ATOM 1629 CB LEU A 101 7.009 -17.703 -1.387 1.00 32.24 C ATOM 1630 CG LEU A 101 5.534 -17.946 -1.031 1.00 63.43 C ATOM 1631 CD1 LEU A 101 4.823 -18.707 -2.147 1.00 43.13 C ATOM 1632 CD2 LEU A 101 5.413 -18.696 0.296 1.00 30.43 C ATOM 0 H LEU A 101 6.907 -15.142 -0.910 1.00 10.24 H new ATOM 0 HA LEU A 101 7.792 -17.513 0.609 1.00 51.22 H new ATOM 0 HB2 LEU A 101 7.054 -17.144 -2.321 1.00 32.24 H new ATOM 0 HB3 LEU A 101 7.486 -18.666 -1.569 1.00 32.24 H new ATOM 0 HG LEU A 101 5.050 -16.976 -0.920 1.00 63.43 H new ATOM 0 HD11 LEU A 101 3.781 -18.867 -1.872 1.00 43.13 H new ATOM 0 HD12 LEU A 101 4.870 -18.128 -3.069 1.00 43.13 H new ATOM 0 HD13 LEU A 101 5.310 -19.670 -2.298 1.00 43.13 H new ATOM 0 HD21 LEU A 101 4.360 -18.857 0.528 1.00 30.43 H new ATOM 0 HD22 LEU A 101 5.919 -19.658 0.217 1.00 30.43 H new ATOM 0 HD23 LEU A 101 5.874 -18.108 1.090 1.00 30.43 H new ATOM 1644 N GLU A 102 10.197 -17.258 0.105 1.00 61.30 N ATOM 1645 CA GLU A 102 11.644 -17.134 -0.129 1.00 62.40 C ATOM 1646 C GLU A 102 12.220 -18.387 -0.819 1.00 54.41 C ATOM 1647 O GLU A 102 12.522 -18.321 -2.033 1.00 38.17 O ATOM 1648 CB GLU A 102 12.367 -16.900 1.203 1.00 62.24 C ATOM 1649 CG GLU A 102 11.828 -15.719 2.007 1.00 1.13 C ATOM 1650 CD GLU A 102 12.515 -15.578 3.355 1.00 33.31 C ATOM 1651 OE1 GLU A 102 12.242 -16.403 4.256 1.00 2.43 O ATOM 1652 OE2 GLU A 102 13.340 -14.653 3.521 1.00 20.11 O ATOM 0 H GLU A 102 9.959 -17.712 0.987 1.00 61.30 H new ATOM 0 HA GLU A 102 11.802 -16.283 -0.792 1.00 62.40 H new ATOM 0 HB2 GLU A 102 12.291 -17.803 1.809 1.00 62.24 H new ATOM 0 HB3 GLU A 102 13.427 -16.737 1.005 1.00 62.24 H new ATOM 0 HG2 GLU A 102 11.963 -14.801 1.435 1.00 1.13 H new ATOM 0 HG3 GLU A 102 10.756 -15.845 2.159 1.00 1.13 H new TER 1659 GLU A 102