USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 869 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 100 LYS NZ :NH3+ 155:sc= 0.102 (180deg=-0.228) USER MOD Set 1.2: A 104 ASN : amide:sc= -1.34 K(o=-1.2,f=-1.9) USER MOD Set 2.1: A 97 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 101 SER OG : rot 79:sc= 0.751 USER MOD Set 3.1: A 40 TYR OH : rot -25:sc= 0.611 USER MOD Set 3.2: A 71 THR OG1 : rot -163:sc= 0.551 USER MOD Set 4.1: A 19 GLN : amide:sc= -1.43 K(o=-4.6,f=-1.8) USER MOD Set 4.2: A 70 GLN : amide:sc= -3.22! C(o=-4.6!,f=-4.6!) USER MOD Set 5.1: A 18 SER OG : rot -11:sc= 0.543 USER MOD Set 5.2: A 74 ASN : amide:sc= -1.05 K(o=-0.51,f=-1.1) USER MOD Set 6.1: A 9 ASN : amide:sc= 0.0195 X(o=-0.36,f=-0.4) USER MOD Set 6.2: A 12 GLN : amide:sc= -0.377 K(o=-0.36,f=-3.9!) USER MOD Single : A 1 MET CE :methyl 158:sc= 0 (180deg=-0.759) USER MOD Single : A 1 MET N :NH3+ -176:sc= -0.0778 (180deg=-0.0852) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -143:sc= 0.028 USER MOD Single : A 20 SER OG : rot 75:sc= 0.831 USER MOD Single : A 26 GLN : amide:sc= -0.0052 K(o=-0.0052,f=-1.5) USER MOD Single : A 35 GLN : amide:sc= -0.657 K(o=-0.66,f=-1.9!) USER MOD Single : A 36 GLN : amide:sc= -0.0787 X(o=-0.079,f=-0.31) USER MOD Single : A 39 SER OG : rot -1:sc= 0.809 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 43 SER OG : rot 87:sc= 0.682 USER MOD Single : A 46 THR OG1 : rot 70:sc= 0.921 USER MOD Single : A 48 MET CE :methyl -121:sc= -0.486 (180deg=-3.23!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.319 X(o=-0.32,f=0) USER MOD Single : A 52 THR OG1 : rot -77:sc= 0.591 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.195 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0.704 K(o=0.7,f=-2.1!) USER MOD Single : A 63 MET CE :methyl 172:sc= -0.945 (180deg=-1.34) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 177:sc= 0.186 (180deg=0.152) USER MOD Single : A 76 GLN : amide:sc= -0.556 K(o=-0.56,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -128:sc= -0.694 (180deg=-1.28!) USER MOD Single : A 95 GLN : amide:sc= -0.399 X(o=-0.4,f=-0.44) USER MOD Single : A 96 SER OG : rot 180:sc= 0.0178 USER MOD Single : A 99 GLN : amide:sc= -0.164 K(o=-0.16,f=-0.78) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -154:sc= -0.218 (180deg=-0.92) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.829 3.295 21.036 1.00 13.24 N ATOM 2 CA MET A 1 2.618 2.482 19.818 1.00 71.11 C ATOM 3 C MET A 1 1.546 3.123 18.898 1.00 22.32 C ATOM 4 O MET A 1 1.224 2.562 17.854 1.00 12.20 O ATOM 5 CB MET A 1 2.230 1.015 20.213 1.00 1.03 C ATOM 6 CG MET A 1 2.229 0.007 19.045 1.00 50.31 C ATOM 7 SD MET A 1 1.620 -1.628 19.501 1.00 55.11 S ATOM 8 CE MET A 1 1.534 -2.424 17.889 1.00 32.12 C ATOM 0 H1 MET A 1 3.598 2.881 21.601 1.00 13.24 H new ATOM 0 H2 MET A 1 3.083 4.267 20.765 1.00 13.24 H new ATOM 0 H3 MET A 1 1.955 3.310 21.599 1.00 13.24 H new ATOM 0 HA MET A 1 3.550 2.450 19.254 1.00 71.11 H new ATOM 0 HB2 MET A 1 2.924 0.664 20.976 1.00 1.03 H new ATOM 0 HB3 MET A 1 1.238 1.026 20.665 1.00 1.03 H new ATOM 0 HG2 MET A 1 1.614 0.402 18.236 1.00 50.31 H new ATOM 0 HG3 MET A 1 3.243 -0.088 18.657 1.00 50.31 H new ATOM 0 HE1 MET A 1 1.560 -3.506 18.016 1.00 32.12 H new ATOM 0 HE2 MET A 1 0.607 -2.139 17.391 1.00 32.12 H new ATOM 0 HE3 MET A 1 2.383 -2.109 17.282 1.00 32.12 H new ATOM 20 N THR A 2 1.013 4.314 19.277 1.00 45.41 N ATOM 21 CA THR A 2 -0.048 5.014 18.512 1.00 70.24 C ATOM 22 C THR A 2 0.329 5.177 17.022 1.00 72.35 C ATOM 23 O THR A 2 -0.449 4.801 16.140 1.00 34.31 O ATOM 24 CB THR A 2 -0.353 6.416 19.139 1.00 60.51 C ATOM 25 OG1 THR A 2 -0.767 6.248 20.500 1.00 73.14 O ATOM 26 CG2 THR A 2 -1.438 7.199 18.373 1.00 62.14 C ATOM 0 H THR A 2 1.306 4.812 20.117 1.00 45.41 H new ATOM 0 HA THR A 2 -0.943 4.394 18.568 1.00 70.24 H new ATOM 0 HB THR A 2 0.567 6.998 19.078 1.00 60.51 H new ATOM 0 HG1 THR A 2 -0.957 7.125 20.895 1.00 73.14 H new ATOM 0 HG21 THR A 2 -1.603 8.161 18.858 1.00 62.14 H new ATOM 0 HG22 THR A 2 -1.112 7.361 17.345 1.00 62.14 H new ATOM 0 HG23 THR A 2 -2.367 6.629 18.373 1.00 62.14 H new ATOM 34 N SER A 3 1.556 5.675 16.773 1.00 23.15 N ATOM 35 CA SER A 3 2.078 5.921 15.420 1.00 42.12 C ATOM 36 C SER A 3 2.196 4.617 14.617 1.00 0.42 C ATOM 37 O SER A 3 1.969 4.612 13.406 1.00 25.55 O ATOM 38 CB SER A 3 3.446 6.636 15.516 1.00 4.34 C ATOM 39 OG SER A 3 3.337 7.824 16.291 1.00 52.32 O ATOM 0 H SER A 3 2.215 5.919 17.512 1.00 23.15 H new ATOM 0 HA SER A 3 1.375 6.563 14.888 1.00 42.12 H new ATOM 0 HB2 SER A 3 4.181 5.968 15.966 1.00 4.34 H new ATOM 0 HB3 SER A 3 3.806 6.879 14.516 1.00 4.34 H new ATOM 0 HG SER A 3 4.212 8.262 16.343 1.00 52.32 H new ATOM 45 N THR A 4 2.549 3.521 15.318 1.00 64.45 N ATOM 46 CA THR A 4 2.696 2.191 14.719 1.00 13.11 C ATOM 47 C THR A 4 1.327 1.635 14.271 1.00 53.13 C ATOM 48 O THR A 4 1.194 1.180 13.145 1.00 3.22 O ATOM 49 CB THR A 4 3.374 1.190 15.716 1.00 51.35 C ATOM 50 OG1 THR A 4 4.480 1.824 16.385 1.00 51.10 O ATOM 51 CG2 THR A 4 3.879 -0.074 15.002 1.00 71.15 C ATOM 0 H THR A 4 2.740 3.540 16.320 1.00 64.45 H new ATOM 0 HA THR A 4 3.338 2.297 13.845 1.00 13.11 H new ATOM 0 HB THR A 4 2.616 0.897 16.442 1.00 51.35 H new ATOM 0 HG1 THR A 4 5.201 1.173 16.513 1.00 51.10 H new ATOM 0 HG21 THR A 4 4.342 -0.742 15.728 1.00 71.15 H new ATOM 0 HG22 THR A 4 3.041 -0.582 14.525 1.00 71.15 H new ATOM 0 HG23 THR A 4 4.613 0.204 14.245 1.00 71.15 H new ATOM 59 N VAL A 5 0.317 1.716 15.165 1.00 23.23 N ATOM 60 CA VAL A 5 -1.044 1.197 14.911 1.00 53.54 C ATOM 61 C VAL A 5 -1.718 1.985 13.767 1.00 63.11 C ATOM 62 O VAL A 5 -2.405 1.398 12.924 1.00 22.11 O ATOM 63 CB VAL A 5 -1.927 1.248 16.218 1.00 62.01 C ATOM 64 CG1 VAL A 5 -3.362 0.726 15.967 1.00 14.52 C ATOM 65 CG2 VAL A 5 -1.254 0.458 17.370 1.00 13.44 C ATOM 0 H VAL A 5 0.423 2.144 16.085 1.00 23.23 H new ATOM 0 HA VAL A 5 -0.956 0.154 14.609 1.00 53.54 H new ATOM 0 HB VAL A 5 -2.006 2.294 16.513 1.00 62.01 H new ATOM 0 HG11 VAL A 5 -3.935 0.779 16.892 1.00 14.52 H new ATOM 0 HG12 VAL A 5 -3.844 1.339 15.206 1.00 14.52 H new ATOM 0 HG13 VAL A 5 -3.318 -0.308 15.626 1.00 14.52 H new ATOM 0 HG21 VAL A 5 -1.881 0.508 18.260 1.00 13.44 H new ATOM 0 HG22 VAL A 5 -1.128 -0.583 17.072 1.00 13.44 H new ATOM 0 HG23 VAL A 5 -0.279 0.893 17.589 1.00 13.44 H new ATOM 75 N GLU A 6 -1.498 3.317 13.751 1.00 35.25 N ATOM 76 CA GLU A 6 -1.927 4.193 12.650 1.00 44.40 C ATOM 77 C GLU A 6 -1.275 3.750 11.336 1.00 14.01 C ATOM 78 O GLU A 6 -1.960 3.547 10.346 1.00 3.52 O ATOM 79 CB GLU A 6 -1.565 5.675 12.949 1.00 4.14 C ATOM 80 CG GLU A 6 -2.406 6.334 14.057 1.00 72.54 C ATOM 81 CD GLU A 6 -3.897 6.430 13.689 1.00 54.15 C ATOM 82 OE1 GLU A 6 -4.256 7.291 12.858 1.00 21.31 O ATOM 83 OE2 GLU A 6 -4.714 5.636 14.199 1.00 13.44 O ATOM 0 H GLU A 6 -1.018 3.811 14.503 1.00 35.25 H new ATOM 0 HA GLU A 6 -3.010 4.115 12.555 1.00 44.40 H new ATOM 0 HB2 GLU A 6 -0.513 5.728 13.231 1.00 4.14 H new ATOM 0 HB3 GLU A 6 -1.679 6.254 12.033 1.00 4.14 H new ATOM 0 HG2 GLU A 6 -2.299 5.762 14.978 1.00 72.54 H new ATOM 0 HG3 GLU A 6 -2.019 7.334 14.256 1.00 72.54 H new ATOM 90 N PHE A 7 0.057 3.551 11.384 1.00 63.13 N ATOM 91 CA PHE A 7 0.888 3.202 10.216 1.00 52.24 C ATOM 92 C PHE A 7 0.410 1.873 9.575 1.00 42.11 C ATOM 93 O PHE A 7 0.233 1.802 8.356 1.00 74.34 O ATOM 94 CB PHE A 7 2.374 3.110 10.673 1.00 34.42 C ATOM 95 CG PHE A 7 3.409 3.137 9.558 1.00 61.25 C ATOM 96 CD1 PHE A 7 3.641 4.316 8.845 1.00 52.22 C ATOM 97 CD2 PHE A 7 4.172 2.011 9.243 1.00 20.35 C ATOM 98 CE1 PHE A 7 4.589 4.363 7.847 1.00 71.12 C ATOM 99 CE2 PHE A 7 5.116 2.063 8.242 1.00 70.13 C ATOM 100 CZ PHE A 7 5.327 3.239 7.545 1.00 32.54 C ATOM 0 H PHE A 7 0.593 3.629 12.248 1.00 63.13 H new ATOM 0 HA PHE A 7 0.794 3.974 9.452 1.00 52.24 H new ATOM 0 HB2 PHE A 7 2.578 3.937 11.353 1.00 34.42 H new ATOM 0 HB3 PHE A 7 2.504 2.190 11.242 1.00 34.42 H new ATOM 0 HD1 PHE A 7 3.070 5.202 9.079 1.00 52.22 H new ATOM 0 HD2 PHE A 7 4.021 1.092 9.789 1.00 20.35 H new ATOM 0 HE1 PHE A 7 4.754 5.280 7.301 1.00 71.12 H new ATOM 0 HE2 PHE A 7 5.693 1.183 8.000 1.00 70.13 H new ATOM 0 HZ PHE A 7 6.071 3.276 6.763 1.00 32.54 H new ATOM 110 N ILE A 8 0.158 0.858 10.435 1.00 31.23 N ATOM 111 CA ILE A 8 -0.312 -0.479 10.018 1.00 4.02 C ATOM 112 C ILE A 8 -1.734 -0.398 9.434 1.00 42.52 C ATOM 113 O ILE A 8 -2.012 -1.019 8.418 1.00 52.34 O ATOM 114 CB ILE A 8 -0.302 -1.500 11.226 1.00 71.05 C ATOM 115 CG1 ILE A 8 1.129 -1.645 11.839 1.00 31.15 C ATOM 116 CG2 ILE A 8 -0.856 -2.887 10.804 1.00 21.34 C ATOM 117 CD1 ILE A 8 1.174 -2.403 13.163 1.00 42.23 C ATOM 0 H ILE A 8 0.277 0.947 11.444 1.00 31.23 H new ATOM 0 HA ILE A 8 0.376 -0.837 9.252 1.00 4.02 H new ATOM 0 HB ILE A 8 -0.960 -1.093 11.994 1.00 71.05 H new ATOM 0 HG12 ILE A 8 1.769 -2.156 11.120 1.00 31.15 H new ATOM 0 HG13 ILE A 8 1.549 -0.651 11.989 1.00 31.15 H new ATOM 0 HG21 ILE A 8 -0.834 -3.563 11.659 1.00 21.34 H new ATOM 0 HG22 ILE A 8 -1.882 -2.778 10.454 1.00 21.34 H new ATOM 0 HG23 ILE A 8 -0.241 -3.296 10.002 1.00 21.34 H new ATOM 0 HD11 ILE A 8 2.204 -2.457 13.517 1.00 42.23 H new ATOM 0 HD12 ILE A 8 0.564 -1.883 13.901 1.00 42.23 H new ATOM 0 HD13 ILE A 8 0.787 -3.412 13.018 1.00 42.23 H new ATOM 129 N ASN A 9 -2.619 0.384 10.094 1.00 43.14 N ATOM 130 CA ASN A 9 -4.039 0.540 9.687 1.00 31.44 C ATOM 131 C ASN A 9 -4.158 1.264 8.333 1.00 64.32 C ATOM 132 O ASN A 9 -5.057 0.977 7.530 1.00 60.00 O ATOM 133 CB ASN A 9 -4.839 1.292 10.782 1.00 44.54 C ATOM 134 CG ASN A 9 -6.332 1.440 10.454 1.00 13.24 C ATOM 135 OD1 ASN A 9 -6.768 2.461 9.917 1.00 32.40 O ATOM 136 ND2 ASN A 9 -7.113 0.404 10.737 1.00 1.32 N ATOM 0 H ASN A 9 -2.372 0.925 10.923 1.00 43.14 H new ATOM 0 HA ASN A 9 -4.464 -0.457 9.569 1.00 31.44 H new ATOM 0 HB2 ASN A 9 -4.733 0.761 11.728 1.00 44.54 H new ATOM 0 HB3 ASN A 9 -4.406 2.282 10.922 1.00 44.54 H new ATOM 0 HD21 ASN A 9 -8.107 0.437 10.510 1.00 1.32 H new ATOM 0 HD22 ASN A 9 -6.719 -0.425 11.182 1.00 1.32 H new ATOM 143 N ARG A 10 -3.233 2.205 8.096 1.00 73.52 N ATOM 144 CA ARG A 10 -3.120 2.912 6.818 1.00 33.12 C ATOM 145 C ARG A 10 -2.641 1.933 5.734 1.00 65.24 C ATOM 146 O ARG A 10 -3.152 1.955 4.620 1.00 25.15 O ATOM 147 CB ARG A 10 -2.152 4.110 6.938 1.00 63.51 C ATOM 148 CG ARG A 10 -2.633 5.254 7.860 1.00 21.31 C ATOM 149 CD ARG A 10 -1.554 6.338 8.054 1.00 32.33 C ATOM 150 NE ARG A 10 -1.936 7.341 9.071 1.00 74.43 N ATOM 151 CZ ARG A 10 -1.103 7.889 9.980 1.00 73.24 C ATOM 152 NH1 ARG A 10 0.188 7.547 10.020 1.00 45.03 N ATOM 153 NH2 ARG A 10 -1.568 8.779 10.843 1.00 62.54 N ATOM 0 H ARG A 10 -2.542 2.496 8.788 1.00 73.52 H new ATOM 0 HA ARG A 10 -4.099 3.303 6.540 1.00 33.12 H new ATOM 0 HB2 ARG A 10 -1.193 3.746 7.307 1.00 63.51 H new ATOM 0 HB3 ARG A 10 -1.977 4.517 5.942 1.00 63.51 H new ATOM 0 HG2 ARG A 10 -3.529 5.707 7.436 1.00 21.31 H new ATOM 0 HG3 ARG A 10 -2.912 4.843 8.830 1.00 21.31 H new ATOM 0 HD2 ARG A 10 -0.617 5.865 8.349 1.00 32.33 H new ATOM 0 HD3 ARG A 10 -1.373 6.840 7.104 1.00 32.33 H new ATOM 0 HE ARG A 10 -2.910 7.644 9.087 1.00 74.43 H new ATOM 0 HH11 ARG A 10 0.555 6.864 9.358 1.00 45.03 H new ATOM 0 HH12 ARG A 10 0.806 7.969 10.713 1.00 45.03 H new ATOM 0 HH21 ARG A 10 -2.552 9.047 10.819 1.00 62.54 H new ATOM 0 HH22 ARG A 10 -0.942 9.196 11.532 1.00 62.54 H new ATOM 167 N TRP A 11 -1.666 1.064 6.091 1.00 14.52 N ATOM 168 CA TRP A 11 -1.196 -0.019 5.204 1.00 73.25 C ATOM 169 C TRP A 11 -2.298 -1.065 4.952 1.00 33.21 C ATOM 170 O TRP A 11 -2.299 -1.698 3.897 1.00 64.33 O ATOM 171 CB TRP A 11 0.095 -0.704 5.746 1.00 50.03 C ATOM 172 CG TRP A 11 1.369 0.047 5.438 1.00 25.25 C ATOM 173 CD1 TRP A 11 2.254 0.581 6.326 1.00 15.32 C ATOM 174 CD2 TRP A 11 1.889 0.354 4.129 1.00 22.41 C ATOM 175 NE1 TRP A 11 3.284 1.185 5.659 1.00 41.42 N ATOM 176 CE2 TRP A 11 3.083 1.065 4.316 1.00 41.54 C ATOM 177 CE3 TRP A 11 1.459 0.093 2.818 1.00 42.42 C ATOM 178 CZ2 TRP A 11 3.853 1.527 3.255 1.00 33.42 C ATOM 179 CZ3 TRP A 11 2.221 0.555 1.764 1.00 24.11 C ATOM 180 CH2 TRP A 11 3.410 1.265 1.990 1.00 30.54 C ATOM 0 H TRP A 11 -1.190 1.095 6.992 1.00 14.52 H new ATOM 0 HA TRP A 11 -0.946 0.449 4.252 1.00 73.25 H new ATOM 0 HB2 TRP A 11 0.006 -0.819 6.826 1.00 50.03 H new ATOM 0 HB3 TRP A 11 0.166 -1.706 5.324 1.00 50.03 H new ATOM 0 HD1 TRP A 11 2.156 0.534 7.401 1.00 15.32 H new ATOM 0 HE1 TRP A 11 4.078 1.652 6.098 1.00 41.42 H new ATOM 0 HE3 TRP A 11 0.549 -0.459 2.638 1.00 42.42 H new ATOM 0 HZ2 TRP A 11 4.769 2.074 3.425 1.00 33.42 H new ATOM 0 HZ3 TRP A 11 1.897 0.367 0.751 1.00 24.11 H new ATOM 0 HH2 TRP A 11 3.987 1.612 1.146 1.00 30.54 H new ATOM 191 N GLN A 12 -3.222 -1.249 5.931 1.00 40.21 N ATOM 192 CA GLN A 12 -4.413 -2.098 5.748 1.00 52.35 C ATOM 193 C GLN A 12 -5.262 -1.509 4.623 1.00 21.35 C ATOM 194 O GLN A 12 -5.617 -2.208 3.684 1.00 44.23 O ATOM 195 CB GLN A 12 -5.281 -2.215 7.039 1.00 63.54 C ATOM 196 CG GLN A 12 -4.620 -2.923 8.229 1.00 32.13 C ATOM 197 CD GLN A 12 -5.580 -3.158 9.399 1.00 1.42 C ATOM 198 OE1 GLN A 12 -5.710 -2.325 10.296 1.00 5.00 O ATOM 199 NE2 GLN A 12 -6.287 -4.282 9.379 1.00 13.23 N ATOM 0 H GLN A 12 -3.158 -0.817 6.853 1.00 40.21 H new ATOM 0 HA GLN A 12 -4.068 -3.103 5.504 1.00 52.35 H new ATOM 0 HB2 GLN A 12 -5.569 -1.211 7.352 1.00 63.54 H new ATOM 0 HB3 GLN A 12 -6.199 -2.746 6.789 1.00 63.54 H new ATOM 0 HG2 GLN A 12 -4.220 -3.881 7.897 1.00 32.13 H new ATOM 0 HG3 GLN A 12 -3.775 -2.327 8.574 1.00 32.13 H new ATOM 0 HE21 GLN A 12 -6.157 -4.953 8.622 1.00 13.23 H new ATOM 0 HE22 GLN A 12 -6.960 -4.474 10.121 1.00 13.23 H new ATOM 208 N ARG A 13 -5.529 -0.190 4.728 1.00 53.41 N ATOM 209 CA ARG A 13 -6.343 0.549 3.758 1.00 21.54 C ATOM 210 C ARG A 13 -5.757 0.442 2.332 1.00 4.14 C ATOM 211 O ARG A 13 -6.478 0.097 1.415 1.00 24.11 O ATOM 212 CB ARG A 13 -6.473 2.041 4.171 1.00 53.24 C ATOM 213 CG ARG A 13 -7.433 2.859 3.270 1.00 2.24 C ATOM 214 CD ARG A 13 -8.913 2.424 3.422 1.00 52.52 C ATOM 215 NE ARG A 13 -9.800 3.042 2.417 1.00 14.23 N ATOM 216 CZ ARG A 13 -10.218 4.320 2.407 1.00 74.32 C ATOM 217 NH1 ARG A 13 -9.841 5.182 3.348 1.00 4.55 N ATOM 218 NH2 ARG A 13 -11.025 4.726 1.444 1.00 64.30 N ATOM 0 H ARG A 13 -5.182 0.388 5.493 1.00 53.41 H new ATOM 0 HA ARG A 13 -7.335 0.098 3.753 1.00 21.54 H new ATOM 0 HB2 ARG A 13 -6.824 2.094 5.202 1.00 53.24 H new ATOM 0 HB3 ARG A 13 -5.486 2.502 4.147 1.00 53.24 H new ATOM 0 HG2 ARG A 13 -7.343 3.917 3.516 1.00 2.24 H new ATOM 0 HG3 ARG A 13 -7.131 2.747 2.229 1.00 2.24 H new ATOM 0 HD2 ARG A 13 -8.978 1.339 3.338 1.00 52.52 H new ATOM 0 HD3 ARG A 13 -9.263 2.688 4.420 1.00 52.52 H new ATOM 0 HE ARG A 13 -10.127 2.443 1.659 1.00 14.23 H new ATOM 0 HH11 ARG A 13 -9.221 4.878 4.099 1.00 4.55 H new ATOM 0 HH12 ARG A 13 -10.172 6.146 3.318 1.00 4.55 H new ATOM 0 HH21 ARG A 13 -11.324 4.073 0.720 1.00 64.30 H new ATOM 0 HH22 ARG A 13 -11.350 5.693 1.424 1.00 64.30 H new ATOM 232 N ILE A 14 -4.441 0.699 2.185 1.00 10.02 N ATOM 233 CA ILE A 14 -3.745 0.681 0.872 1.00 41.14 C ATOM 234 C ILE A 14 -3.774 -0.734 0.247 1.00 12.03 C ATOM 235 O ILE A 14 -4.128 -0.896 -0.925 1.00 72.04 O ATOM 236 CB ILE A 14 -2.248 1.152 1.025 1.00 1.52 C ATOM 237 CG1 ILE A 14 -2.163 2.563 1.686 1.00 41.12 C ATOM 238 CG2 ILE A 14 -1.510 1.151 -0.336 1.00 32.34 C ATOM 239 CD1 ILE A 14 -0.762 2.964 2.111 1.00 3.15 C ATOM 0 H ILE A 14 -3.828 0.925 2.968 1.00 10.02 H new ATOM 0 HA ILE A 14 -4.273 1.371 0.213 1.00 41.14 H new ATOM 0 HB ILE A 14 -1.752 0.435 1.680 1.00 1.52 H new ATOM 0 HG12 ILE A 14 -2.545 3.305 0.984 1.00 41.12 H new ATOM 0 HG13 ILE A 14 -2.816 2.584 2.559 1.00 41.12 H new ATOM 0 HG21 ILE A 14 -0.481 1.481 -0.192 1.00 32.34 H new ATOM 0 HG22 ILE A 14 -1.513 0.143 -0.751 1.00 32.34 H new ATOM 0 HG23 ILE A 14 -2.015 1.828 -1.024 1.00 32.34 H new ATOM 0 HD11 ILE A 14 -0.788 3.956 2.561 1.00 3.15 H new ATOM 0 HD12 ILE A 14 -0.383 2.246 2.838 1.00 3.15 H new ATOM 0 HD13 ILE A 14 -0.107 2.978 1.240 1.00 3.15 H new ATOM 251 N ALA A 15 -3.414 -1.737 1.072 1.00 70.55 N ATOM 252 CA ALA A 15 -3.327 -3.156 0.669 1.00 44.13 C ATOM 253 C ALA A 15 -4.694 -3.690 0.186 1.00 4.43 C ATOM 254 O ALA A 15 -4.806 -4.284 -0.895 1.00 51.23 O ATOM 255 CB ALA A 15 -2.806 -3.984 1.860 1.00 40.22 C ATOM 0 H ALA A 15 -3.172 -1.583 2.051 1.00 70.55 H new ATOM 0 HA ALA A 15 -2.635 -3.244 -0.168 1.00 44.13 H new ATOM 0 HB1 ALA A 15 -2.738 -5.033 1.572 1.00 40.22 H new ATOM 0 HB2 ALA A 15 -1.819 -3.623 2.150 1.00 40.22 H new ATOM 0 HB3 ALA A 15 -3.491 -3.882 2.701 1.00 40.22 H new ATOM 261 N LEU A 16 -5.725 -3.403 0.992 1.00 35.23 N ATOM 262 CA LEU A 16 -7.111 -3.875 0.768 1.00 72.04 C ATOM 263 C LEU A 16 -7.792 -3.100 -0.375 1.00 41.34 C ATOM 264 O LEU A 16 -8.610 -3.677 -1.096 1.00 32.11 O ATOM 265 CB LEU A 16 -7.952 -3.755 2.071 1.00 53.32 C ATOM 266 CG LEU A 16 -7.515 -4.663 3.266 1.00 71.34 C ATOM 267 CD1 LEU A 16 -8.332 -4.339 4.536 1.00 23.25 C ATOM 268 CD2 LEU A 16 -7.609 -6.161 2.902 1.00 50.31 C ATOM 0 H LEU A 16 -5.626 -2.830 1.830 1.00 35.23 H new ATOM 0 HA LEU A 16 -7.056 -4.925 0.480 1.00 72.04 H new ATOM 0 HB2 LEU A 16 -7.923 -2.717 2.402 1.00 53.32 H new ATOM 0 HB3 LEU A 16 -8.990 -3.984 1.830 1.00 53.32 H new ATOM 0 HG LEU A 16 -6.468 -4.447 3.480 1.00 71.34 H new ATOM 0 HD11 LEU A 16 -8.008 -4.985 5.352 1.00 23.25 H new ATOM 0 HD12 LEU A 16 -8.175 -3.297 4.814 1.00 23.25 H new ATOM 0 HD13 LEU A 16 -9.391 -4.506 4.340 1.00 23.25 H new ATOM 0 HD21 LEU A 16 -7.298 -6.763 3.756 1.00 50.31 H new ATOM 0 HD22 LEU A 16 -8.638 -6.408 2.640 1.00 50.31 H new ATOM 0 HD23 LEU A 16 -6.958 -6.371 2.053 1.00 50.31 H new ATOM 280 N LEU A 17 -7.464 -1.788 -0.522 1.00 11.21 N ATOM 281 CA LEU A 17 -7.979 -0.964 -1.635 1.00 1.35 C ATOM 282 C LEU A 17 -7.458 -1.513 -2.953 1.00 2.02 C ATOM 283 O LEU A 17 -8.250 -1.854 -3.805 1.00 10.24 O ATOM 284 CB LEU A 17 -7.630 0.557 -1.507 1.00 61.54 C ATOM 285 CG LEU A 17 -8.523 1.399 -0.543 1.00 10.14 C ATOM 286 CD1 LEU A 17 -8.138 2.896 -0.582 1.00 12.44 C ATOM 287 CD2 LEU A 17 -10.020 1.198 -0.852 1.00 34.42 C ATOM 0 H LEU A 17 -6.847 -1.286 0.117 1.00 11.21 H new ATOM 0 HA LEU A 17 -9.067 -1.026 -1.597 1.00 1.35 H new ATOM 0 HB2 LEU A 17 -6.595 0.643 -1.175 1.00 61.54 H new ATOM 0 HB3 LEU A 17 -7.684 1.004 -2.500 1.00 61.54 H new ATOM 0 HG LEU A 17 -8.343 1.041 0.470 1.00 10.14 H new ATOM 0 HD11 LEU A 17 -8.779 3.454 0.100 1.00 12.44 H new ATOM 0 HD12 LEU A 17 -7.097 3.012 -0.279 1.00 12.44 H new ATOM 0 HD13 LEU A 17 -8.266 3.278 -1.595 1.00 12.44 H new ATOM 0 HD21 LEU A 17 -10.617 1.797 -0.164 1.00 34.42 H new ATOM 0 HD22 LEU A 17 -10.225 1.509 -1.876 1.00 34.42 H new ATOM 0 HD23 LEU A 17 -10.278 0.146 -0.734 1.00 34.42 H new ATOM 299 N SER A 18 -6.123 -1.644 -3.073 1.00 32.25 N ATOM 300 CA SER A 18 -5.466 -2.132 -4.298 1.00 14.32 C ATOM 301 C SER A 18 -5.942 -3.556 -4.660 1.00 2.41 C ATOM 302 O SER A 18 -6.063 -3.880 -5.842 1.00 63.12 O ATOM 303 CB SER A 18 -3.932 -2.091 -4.128 1.00 41.11 C ATOM 304 OG SER A 18 -3.509 -2.900 -3.042 1.00 34.22 O ATOM 0 H SER A 18 -5.471 -1.414 -2.323 1.00 32.25 H new ATOM 0 HA SER A 18 -5.745 -1.475 -5.122 1.00 14.32 H new ATOM 0 HB2 SER A 18 -3.454 -2.433 -5.046 1.00 41.11 H new ATOM 0 HB3 SER A 18 -3.610 -1.063 -3.964 1.00 41.11 H new ATOM 0 HG SER A 18 -4.288 -3.172 -2.514 1.00 34.22 H new ATOM 310 N GLN A 19 -6.202 -4.392 -3.624 1.00 51.12 N ATOM 311 CA GLN A 19 -6.772 -5.745 -3.791 1.00 61.42 C ATOM 312 C GLN A 19 -8.178 -5.676 -4.422 1.00 54.31 C ATOM 313 O GLN A 19 -8.463 -6.382 -5.401 1.00 52.13 O ATOM 314 CB GLN A 19 -6.829 -6.472 -2.421 1.00 61.41 C ATOM 315 CG GLN A 19 -7.348 -7.926 -2.475 1.00 23.31 C ATOM 316 CD GLN A 19 -6.438 -8.870 -3.269 1.00 53.34 C ATOM 317 OE1 GLN A 19 -6.586 -9.040 -4.480 1.00 12.01 O ATOM 318 NE2 GLN A 19 -5.493 -9.494 -2.585 1.00 32.04 N ATOM 0 H GLN A 19 -6.021 -4.144 -2.651 1.00 51.12 H new ATOM 0 HA GLN A 19 -6.127 -6.309 -4.464 1.00 61.42 H new ATOM 0 HB2 GLN A 19 -5.829 -6.475 -1.986 1.00 61.41 H new ATOM 0 HB3 GLN A 19 -7.467 -5.899 -1.749 1.00 61.41 H new ATOM 0 HG2 GLN A 19 -7.452 -8.304 -1.458 1.00 23.31 H new ATOM 0 HG3 GLN A 19 -8.343 -7.932 -2.921 1.00 23.31 H new ATOM 0 HE21 GLN A 19 -5.397 -9.331 -1.583 1.00 32.04 H new ATOM 0 HE22 GLN A 19 -4.860 -10.138 -3.060 1.00 32.04 H new ATOM 327 N SER A 20 -9.036 -4.804 -3.853 1.00 15.50 N ATOM 328 CA SER A 20 -10.396 -4.559 -4.361 1.00 41.10 C ATOM 329 C SER A 20 -10.343 -4.025 -5.802 1.00 0.21 C ATOM 330 O SER A 20 -11.079 -4.489 -6.657 1.00 51.32 O ATOM 331 CB SER A 20 -11.139 -3.550 -3.456 1.00 54.01 C ATOM 332 OG SER A 20 -11.263 -4.031 -2.127 1.00 21.53 O ATOM 0 H SER A 20 -8.802 -4.251 -3.028 1.00 15.50 H new ATOM 0 HA SER A 20 -10.938 -5.505 -4.354 1.00 41.10 H new ATOM 0 HB2 SER A 20 -10.602 -2.601 -3.451 1.00 54.01 H new ATOM 0 HB3 SER A 20 -12.130 -3.354 -3.866 1.00 54.01 H new ATOM 0 HG SER A 20 -10.399 -3.958 -1.671 1.00 21.53 H new ATOM 338 N LEU A 21 -9.411 -3.087 -6.051 1.00 32.51 N ATOM 339 CA LEU A 21 -9.250 -2.415 -7.345 1.00 43.45 C ATOM 340 C LEU A 21 -8.733 -3.401 -8.394 1.00 42.40 C ATOM 341 O LEU A 21 -9.012 -3.231 -9.577 1.00 1.32 O ATOM 342 CB LEU A 21 -8.286 -1.195 -7.232 1.00 74.45 C ATOM 343 CG LEU A 21 -8.726 -0.047 -6.270 1.00 54.41 C ATOM 344 CD1 LEU A 21 -7.732 1.137 -6.298 1.00 55.03 C ATOM 345 CD2 LEU A 21 -10.166 0.403 -6.566 1.00 62.30 C ATOM 0 H LEU A 21 -8.742 -2.773 -5.348 1.00 32.51 H new ATOM 0 HA LEU A 21 -10.227 -2.045 -7.655 1.00 43.45 H new ATOM 0 HB2 LEU A 21 -7.312 -1.559 -6.906 1.00 74.45 H new ATOM 0 HB3 LEU A 21 -8.151 -0.773 -8.228 1.00 74.45 H new ATOM 0 HG LEU A 21 -8.711 -0.444 -5.255 1.00 54.41 H new ATOM 0 HD11 LEU A 21 -8.074 1.915 -5.615 1.00 55.03 H new ATOM 0 HD12 LEU A 21 -6.745 0.791 -5.989 1.00 55.03 H new ATOM 0 HD13 LEU A 21 -7.675 1.541 -7.309 1.00 55.03 H new ATOM 0 HD21 LEU A 21 -10.445 1.203 -5.881 1.00 62.30 H new ATOM 0 HD22 LEU A 21 -10.230 0.765 -7.592 1.00 62.30 H new ATOM 0 HD23 LEU A 21 -10.845 -0.440 -6.435 1.00 62.30 H new ATOM 357 N LEU A 22 -7.971 -4.423 -7.938 1.00 53.42 N ATOM 358 CA LEU A 22 -7.480 -5.489 -8.809 1.00 52.33 C ATOM 359 C LEU A 22 -8.652 -6.353 -9.275 1.00 11.50 C ATOM 360 O LEU A 22 -8.823 -6.544 -10.482 1.00 24.15 O ATOM 361 CB LEU A 22 -6.381 -6.340 -8.118 1.00 32.30 C ATOM 362 CG LEU A 22 -5.746 -7.470 -8.999 1.00 4.35 C ATOM 363 CD1 LEU A 22 -5.197 -6.913 -10.331 1.00 32.21 C ATOM 364 CD2 LEU A 22 -4.655 -8.233 -8.226 1.00 51.11 C ATOM 0 H LEU A 22 -7.688 -4.521 -6.963 1.00 53.42 H new ATOM 0 HA LEU A 22 -7.012 -5.034 -9.682 1.00 52.33 H new ATOM 0 HB2 LEU A 22 -5.586 -5.673 -7.785 1.00 32.30 H new ATOM 0 HB3 LEU A 22 -6.808 -6.797 -7.225 1.00 32.30 H new ATOM 0 HG LEU A 22 -6.540 -8.176 -9.242 1.00 4.35 H new ATOM 0 HD11 LEU A 22 -4.765 -7.726 -10.915 1.00 32.21 H new ATOM 0 HD12 LEU A 22 -6.008 -6.453 -10.895 1.00 32.21 H new ATOM 0 HD13 LEU A 22 -4.430 -6.167 -10.125 1.00 32.21 H new ATOM 0 HD21 LEU A 22 -4.234 -9.010 -8.863 1.00 51.11 H new ATOM 0 HD22 LEU A 22 -3.867 -7.540 -7.929 1.00 51.11 H new ATOM 0 HD23 LEU A 22 -5.091 -8.689 -7.337 1.00 51.11 H new ATOM 376 N GLU A 23 -9.478 -6.821 -8.307 1.00 21.03 N ATOM 377 CA GLU A 23 -10.705 -7.593 -8.594 1.00 30.14 C ATOM 378 C GLU A 23 -11.583 -6.850 -9.612 1.00 43.40 C ATOM 379 O GLU A 23 -11.893 -7.365 -10.690 1.00 22.12 O ATOM 380 CB GLU A 23 -11.522 -7.826 -7.285 1.00 74.22 C ATOM 381 CG GLU A 23 -10.831 -8.715 -6.239 1.00 3.41 C ATOM 382 CD GLU A 23 -10.526 -10.133 -6.757 1.00 12.50 C ATOM 383 OE1 GLU A 23 -11.459 -10.813 -7.245 1.00 42.02 O ATOM 384 OE2 GLU A 23 -9.371 -10.587 -6.661 1.00 34.15 O ATOM 0 H GLU A 23 -9.311 -6.673 -7.312 1.00 21.03 H new ATOM 0 HA GLU A 23 -10.407 -8.556 -9.010 1.00 30.14 H new ATOM 0 HB2 GLU A 23 -11.738 -6.858 -6.832 1.00 74.22 H new ATOM 0 HB3 GLU A 23 -12.479 -8.276 -7.547 1.00 74.22 H new ATOM 0 HG2 GLU A 23 -9.901 -8.241 -5.926 1.00 3.41 H new ATOM 0 HG3 GLU A 23 -11.465 -8.786 -5.355 1.00 3.41 H new ATOM 391 N LEU A 24 -11.892 -5.597 -9.267 1.00 2.23 N ATOM 392 CA LEU A 24 -12.810 -4.745 -10.016 1.00 73.44 C ATOM 393 C LEU A 24 -12.269 -4.437 -11.430 1.00 70.32 C ATOM 394 O LEU A 24 -13.038 -4.440 -12.372 1.00 43.33 O ATOM 395 CB LEU A 24 -13.096 -3.456 -9.201 1.00 52.24 C ATOM 396 CG LEU A 24 -13.816 -3.674 -7.829 1.00 65.00 C ATOM 397 CD1 LEU A 24 -13.923 -2.360 -7.025 1.00 54.02 C ATOM 398 CD2 LEU A 24 -15.196 -4.346 -8.014 1.00 32.42 C ATOM 0 H LEU A 24 -11.502 -5.141 -8.443 1.00 2.23 H new ATOM 0 HA LEU A 24 -13.752 -5.274 -10.162 1.00 73.44 H new ATOM 0 HB2 LEU A 24 -12.151 -2.945 -9.019 1.00 52.24 H new ATOM 0 HB3 LEU A 24 -13.706 -2.789 -9.810 1.00 52.24 H new ATOM 0 HG LEU A 24 -13.199 -4.357 -7.244 1.00 65.00 H new ATOM 0 HD11 LEU A 24 -14.429 -2.553 -6.079 1.00 54.02 H new ATOM 0 HD12 LEU A 24 -12.924 -1.971 -6.830 1.00 54.02 H new ATOM 0 HD13 LEU A 24 -14.492 -1.628 -7.598 1.00 54.02 H new ATOM 0 HD21 LEU A 24 -15.668 -4.482 -7.041 1.00 32.42 H new ATOM 0 HD22 LEU A 24 -15.828 -3.714 -8.638 1.00 32.42 H new ATOM 0 HD23 LEU A 24 -15.067 -5.316 -8.494 1.00 32.42 H new ATOM 410 N ALA A 25 -10.939 -4.245 -11.574 1.00 24.31 N ATOM 411 CA ALA A 25 -10.298 -3.991 -12.894 1.00 71.30 C ATOM 412 C ALA A 25 -10.394 -5.221 -13.809 1.00 14.31 C ATOM 413 O ALA A 25 -10.586 -5.090 -15.026 1.00 4.14 O ATOM 414 CB ALA A 25 -8.828 -3.600 -12.722 1.00 53.12 C ATOM 0 H ALA A 25 -10.283 -4.260 -10.793 1.00 24.31 H new ATOM 0 HA ALA A 25 -10.837 -3.165 -13.359 1.00 71.30 H new ATOM 0 HB1 ALA A 25 -8.383 -3.420 -13.700 1.00 53.12 H new ATOM 0 HB2 ALA A 25 -8.761 -2.694 -12.120 1.00 53.12 H new ATOM 0 HB3 ALA A 25 -8.293 -4.408 -12.223 1.00 53.12 H new ATOM 420 N GLN A 26 -10.242 -6.410 -13.198 1.00 43.52 N ATOM 421 CA GLN A 26 -10.395 -7.712 -13.881 1.00 54.02 C ATOM 422 C GLN A 26 -11.860 -7.937 -14.312 1.00 71.33 C ATOM 423 O GLN A 26 -12.131 -8.688 -15.256 1.00 45.23 O ATOM 424 CB GLN A 26 -9.923 -8.853 -12.940 1.00 52.04 C ATOM 425 CG GLN A 26 -8.421 -8.790 -12.578 1.00 71.22 C ATOM 426 CD GLN A 26 -8.039 -9.669 -11.386 1.00 24.13 C ATOM 427 OE1 GLN A 26 -8.858 -9.938 -10.504 1.00 11.02 O ATOM 428 NE2 GLN A 26 -6.788 -10.082 -11.324 1.00 12.33 N ATOM 0 H GLN A 26 -10.008 -6.497 -12.209 1.00 43.52 H new ATOM 0 HA GLN A 26 -9.778 -7.712 -14.780 1.00 54.02 H new ATOM 0 HB2 GLN A 26 -10.509 -8.818 -12.022 1.00 52.04 H new ATOM 0 HB3 GLN A 26 -10.132 -9.811 -13.415 1.00 52.04 H new ATOM 0 HG2 GLN A 26 -7.834 -9.094 -13.445 1.00 71.22 H new ATOM 0 HG3 GLN A 26 -8.152 -7.757 -12.357 1.00 71.22 H new ATOM 0 HE21 GLN A 26 -6.134 -9.843 -12.070 1.00 12.33 H new ATOM 0 HE22 GLN A 26 -6.474 -10.641 -10.530 1.00 12.33 H new ATOM 437 N ARG A 27 -12.787 -7.301 -13.575 1.00 41.12 N ATOM 438 CA ARG A 27 -14.235 -7.301 -13.885 1.00 73.34 C ATOM 439 C ARG A 27 -14.622 -6.140 -14.840 1.00 74.32 C ATOM 440 O ARG A 27 -15.710 -6.161 -15.422 1.00 31.25 O ATOM 441 CB ARG A 27 -15.027 -7.218 -12.550 1.00 34.35 C ATOM 442 CG ARG A 27 -14.677 -8.356 -11.567 1.00 32.13 C ATOM 443 CD ARG A 27 -15.184 -8.127 -10.135 1.00 73.22 C ATOM 444 NE ARG A 27 -14.539 -9.063 -9.193 1.00 45.23 N ATOM 445 CZ ARG A 27 -15.035 -9.469 -8.016 1.00 20.23 C ATOM 446 NH1 ARG A 27 -16.217 -9.032 -7.581 1.00 31.04 N ATOM 447 NH2 ARG A 27 -14.331 -10.307 -7.267 1.00 71.34 N ATOM 0 H ARG A 27 -12.554 -6.766 -12.738 1.00 41.12 H new ATOM 0 HA ARG A 27 -14.487 -8.224 -14.407 1.00 73.34 H new ATOM 0 HB2 ARG A 27 -14.825 -6.259 -12.073 1.00 34.35 H new ATOM 0 HB3 ARG A 27 -16.095 -7.248 -12.766 1.00 34.35 H new ATOM 0 HG2 ARG A 27 -15.096 -9.289 -11.944 1.00 32.13 H new ATOM 0 HG3 ARG A 27 -13.594 -8.480 -11.542 1.00 32.13 H new ATOM 0 HD2 ARG A 27 -14.979 -7.100 -9.832 1.00 73.22 H new ATOM 0 HD3 ARG A 27 -16.265 -8.259 -10.102 1.00 73.22 H new ATOM 0 HE ARG A 27 -13.629 -9.436 -9.464 1.00 45.23 H new ATOM 0 HH11 ARG A 27 -16.759 -8.378 -8.147 1.00 31.04 H new ATOM 0 HH12 ARG A 27 -16.580 -9.351 -6.683 1.00 31.04 H new ATOM 0 HH21 ARG A 27 -13.421 -10.637 -7.588 1.00 71.34 H new ATOM 0 HH22 ARG A 27 -14.700 -10.622 -6.370 1.00 71.34 H new ATOM 461 N GLY A 28 -13.721 -5.144 -14.995 1.00 53.03 N ATOM 462 CA GLY A 28 -13.944 -3.992 -15.884 1.00 60.43 C ATOM 463 C GLY A 28 -14.809 -2.903 -15.255 1.00 34.31 C ATOM 464 O GLY A 28 -15.597 -2.245 -15.939 1.00 45.40 O ATOM 0 H GLY A 28 -12.825 -5.120 -14.508 1.00 53.03 H new ATOM 0 HA2 GLY A 28 -12.981 -3.565 -16.163 1.00 60.43 H new ATOM 0 HA3 GLY A 28 -14.418 -4.337 -16.803 1.00 60.43 H new ATOM 468 N GLU A 29 -14.635 -2.715 -13.946 1.00 35.32 N ATOM 469 CA GLU A 29 -15.395 -1.759 -13.127 1.00 74.24 C ATOM 470 C GLU A 29 -14.576 -0.460 -12.956 1.00 60.13 C ATOM 471 O GLU A 29 -14.246 -0.060 -11.827 1.00 73.13 O ATOM 472 CB GLU A 29 -15.715 -2.399 -11.744 1.00 24.21 C ATOM 473 CG GLU A 29 -16.420 -3.772 -11.785 1.00 71.23 C ATOM 474 CD GLU A 29 -17.840 -3.723 -12.371 1.00 55.24 C ATOM 475 OE1 GLU A 29 -18.788 -3.394 -11.626 1.00 34.41 O ATOM 476 OE2 GLU A 29 -18.021 -4.024 -13.573 1.00 41.04 O ATOM 0 H GLU A 29 -13.943 -3.236 -13.408 1.00 35.32 H new ATOM 0 HA GLU A 29 -16.335 -1.513 -13.621 1.00 74.24 H new ATOM 0 HB2 GLU A 29 -14.782 -2.507 -11.191 1.00 24.21 H new ATOM 0 HB3 GLU A 29 -16.341 -1.707 -11.181 1.00 24.21 H new ATOM 0 HG2 GLU A 29 -15.817 -4.462 -12.375 1.00 71.23 H new ATOM 0 HG3 GLU A 29 -16.468 -4.176 -10.774 1.00 71.23 H new ATOM 483 N TRP A 30 -14.261 0.183 -14.098 1.00 4.11 N ATOM 484 CA TRP A 30 -13.383 1.379 -14.169 1.00 42.00 C ATOM 485 C TRP A 30 -13.859 2.506 -13.220 1.00 52.32 C ATOM 486 O TRP A 30 -13.033 3.164 -12.576 1.00 31.44 O ATOM 487 CB TRP A 30 -13.303 1.920 -15.628 1.00 63.20 C ATOM 488 CG TRP A 30 -12.740 0.941 -16.648 1.00 2.02 C ATOM 489 CD1 TRP A 30 -13.382 -0.134 -17.206 1.00 14.23 C ATOM 490 CD2 TRP A 30 -11.427 0.966 -17.249 1.00 32.41 C ATOM 491 NE1 TRP A 30 -12.556 -0.777 -18.092 1.00 54.41 N ATOM 492 CE2 TRP A 30 -11.353 -0.123 -18.140 1.00 65.30 C ATOM 493 CE3 TRP A 30 -10.313 1.805 -17.121 1.00 20.12 C ATOM 494 CZ2 TRP A 30 -10.216 -0.388 -18.903 1.00 44.42 C ATOM 495 CZ3 TRP A 30 -9.180 1.534 -17.866 1.00 0.24 C ATOM 496 CH2 TRP A 30 -9.140 0.447 -18.752 1.00 71.52 C ATOM 0 H TRP A 30 -14.610 -0.113 -15.009 1.00 4.11 H new ATOM 0 HA TRP A 30 -12.391 1.063 -13.846 1.00 42.00 H new ATOM 0 HB2 TRP A 30 -14.303 2.216 -15.945 1.00 63.20 H new ATOM 0 HB3 TRP A 30 -12.688 2.820 -15.632 1.00 63.20 H new ATOM 0 HD1 TRP A 30 -14.395 -0.432 -16.980 1.00 14.23 H new ATOM 0 HE1 TRP A 30 -12.799 -1.609 -18.629 1.00 54.41 H new ATOM 0 HE3 TRP A 30 -10.338 2.651 -16.450 1.00 20.12 H new ATOM 0 HZ2 TRP A 30 -10.185 -1.222 -19.589 1.00 44.42 H new ATOM 0 HZ3 TRP A 30 -8.312 2.169 -17.764 1.00 0.24 H new ATOM 0 HH2 TRP A 30 -8.244 0.265 -19.326 1.00 71.52 H new ATOM 507 N ASP A 31 -15.199 2.683 -13.124 1.00 71.01 N ATOM 508 CA ASP A 31 -15.834 3.722 -12.278 1.00 32.13 C ATOM 509 C ASP A 31 -15.415 3.556 -10.811 1.00 72.30 C ATOM 510 O ASP A 31 -14.948 4.505 -10.191 1.00 13.44 O ATOM 511 CB ASP A 31 -17.389 3.663 -12.365 1.00 12.45 C ATOM 512 CG ASP A 31 -17.931 3.770 -13.797 1.00 15.10 C ATOM 513 OD1 ASP A 31 -18.435 4.844 -14.191 1.00 62.41 O ATOM 514 OD2 ASP A 31 -17.853 2.773 -14.539 1.00 51.41 O ATOM 0 H ASP A 31 -15.871 2.108 -13.632 1.00 71.01 H new ATOM 0 HA ASP A 31 -15.496 4.688 -12.654 1.00 32.13 H new ATOM 0 HB2 ASP A 31 -17.734 2.727 -11.924 1.00 12.45 H new ATOM 0 HB3 ASP A 31 -17.809 4.471 -11.766 1.00 12.45 H new ATOM 519 N LEU A 32 -15.548 2.313 -10.300 1.00 61.44 N ATOM 520 CA LEU A 32 -15.264 1.965 -8.891 1.00 45.04 C ATOM 521 C LEU A 32 -13.778 2.196 -8.532 1.00 41.51 C ATOM 522 O LEU A 32 -13.461 2.542 -7.386 1.00 44.40 O ATOM 523 CB LEU A 32 -15.680 0.492 -8.613 1.00 61.51 C ATOM 524 CG LEU A 32 -17.196 0.156 -8.804 1.00 3.13 C ATOM 525 CD1 LEU A 32 -17.483 -1.336 -8.553 1.00 11.14 C ATOM 526 CD2 LEU A 32 -18.093 1.043 -7.918 1.00 14.41 C ATOM 0 H LEU A 32 -15.858 1.517 -10.858 1.00 61.44 H new ATOM 0 HA LEU A 32 -15.853 2.625 -8.255 1.00 45.04 H new ATOM 0 HB2 LEU A 32 -15.100 -0.158 -9.268 1.00 61.51 H new ATOM 0 HB3 LEU A 32 -15.400 0.244 -7.589 1.00 61.51 H new ATOM 0 HG LEU A 32 -17.439 0.372 -9.844 1.00 3.13 H new ATOM 0 HD11 LEU A 32 -18.546 -1.531 -8.695 1.00 11.14 H new ATOM 0 HD12 LEU A 32 -16.906 -1.940 -9.253 1.00 11.14 H new ATOM 0 HD13 LEU A 32 -17.200 -1.594 -7.533 1.00 11.14 H new ATOM 0 HD21 LEU A 32 -19.138 0.779 -8.079 1.00 14.41 H new ATOM 0 HD22 LEU A 32 -17.837 0.887 -6.870 1.00 14.41 H new ATOM 0 HD23 LEU A 32 -17.939 2.090 -8.177 1.00 14.41 H new ATOM 538 N LEU A 33 -12.881 2.015 -9.531 1.00 13.30 N ATOM 539 CA LEU A 33 -11.445 2.337 -9.393 1.00 15.22 C ATOM 540 C LEU A 33 -11.246 3.848 -9.229 1.00 31.25 C ATOM 541 O LEU A 33 -10.500 4.292 -8.356 1.00 74.23 O ATOM 542 CB LEU A 33 -10.607 1.803 -10.599 1.00 62.21 C ATOM 543 CG LEU A 33 -10.183 0.296 -10.536 1.00 34.45 C ATOM 544 CD1 LEU A 33 -11.386 -0.654 -10.574 1.00 1.45 C ATOM 545 CD2 LEU A 33 -9.177 -0.043 -11.646 1.00 11.30 C ATOM 0 H LEU A 33 -13.132 1.644 -10.447 1.00 13.30 H new ATOM 0 HA LEU A 33 -11.084 1.833 -8.497 1.00 15.22 H new ATOM 0 HB2 LEU A 33 -11.183 1.959 -11.511 1.00 62.21 H new ATOM 0 HB3 LEU A 33 -9.705 2.409 -10.684 1.00 62.21 H new ATOM 0 HG LEU A 33 -9.694 0.147 -9.573 1.00 34.45 H new ATOM 0 HD11 LEU A 33 -11.037 -1.685 -10.528 1.00 1.45 H new ATOM 0 HD12 LEU A 33 -12.036 -0.452 -9.722 1.00 1.45 H new ATOM 0 HD13 LEU A 33 -11.942 -0.500 -11.499 1.00 1.45 H new ATOM 0 HD21 LEU A 33 -8.901 -1.095 -11.578 1.00 11.30 H new ATOM 0 HD22 LEU A 33 -9.629 0.151 -12.619 1.00 11.30 H new ATOM 0 HD23 LEU A 33 -8.286 0.574 -11.531 1.00 11.30 H new ATOM 557 N LEU A 34 -11.939 4.624 -10.075 1.00 44.43 N ATOM 558 CA LEU A 34 -11.879 6.098 -10.053 1.00 42.41 C ATOM 559 C LEU A 34 -12.556 6.680 -8.788 1.00 52.23 C ATOM 560 O LEU A 34 -12.218 7.783 -8.351 1.00 33.03 O ATOM 561 CB LEU A 34 -12.524 6.661 -11.343 1.00 75.15 C ATOM 562 CG LEU A 34 -11.900 6.154 -12.683 1.00 70.31 C ATOM 563 CD1 LEU A 34 -12.656 6.710 -13.905 1.00 31.13 C ATOM 564 CD2 LEU A 34 -10.387 6.461 -12.760 1.00 53.53 C ATOM 0 H LEU A 34 -12.558 4.250 -10.795 1.00 44.43 H new ATOM 0 HA LEU A 34 -10.833 6.402 -10.017 1.00 42.41 H new ATOM 0 HB2 LEU A 34 -13.584 6.409 -11.338 1.00 75.15 H new ATOM 0 HB3 LEU A 34 -12.454 7.749 -11.318 1.00 75.15 H new ATOM 0 HG LEU A 34 -12.009 5.070 -12.701 1.00 70.31 H new ATOM 0 HD11 LEU A 34 -12.194 6.337 -14.819 1.00 31.13 H new ATOM 0 HD12 LEU A 34 -13.697 6.388 -13.866 1.00 31.13 H new ATOM 0 HD13 LEU A 34 -12.612 7.799 -13.895 1.00 31.13 H new ATOM 0 HD21 LEU A 34 -9.989 6.094 -13.706 1.00 53.53 H new ATOM 0 HD22 LEU A 34 -10.230 7.538 -12.694 1.00 53.53 H new ATOM 0 HD23 LEU A 34 -9.873 5.969 -11.934 1.00 53.53 H new ATOM 576 N GLN A 35 -13.498 5.924 -8.197 1.00 22.33 N ATOM 577 CA GLN A 35 -14.194 6.334 -6.964 1.00 74.33 C ATOM 578 C GLN A 35 -13.309 6.114 -5.725 1.00 51.34 C ATOM 579 O GLN A 35 -13.431 6.840 -4.740 1.00 63.43 O ATOM 580 CB GLN A 35 -15.536 5.577 -6.811 1.00 14.33 C ATOM 581 CG GLN A 35 -16.583 5.915 -7.892 1.00 50.00 C ATOM 582 CD GLN A 35 -17.929 5.214 -7.692 1.00 61.10 C ATOM 583 OE1 GLN A 35 -18.000 4.130 -7.122 1.00 71.13 O ATOM 584 NE2 GLN A 35 -19.002 5.818 -8.178 1.00 33.14 N ATOM 0 H GLN A 35 -13.797 5.018 -8.557 1.00 22.33 H new ATOM 0 HA GLN A 35 -14.406 7.400 -7.043 1.00 74.33 H new ATOM 0 HB2 GLN A 35 -15.340 4.505 -6.835 1.00 14.33 H new ATOM 0 HB3 GLN A 35 -15.957 5.802 -5.831 1.00 14.33 H new ATOM 0 HG2 GLN A 35 -16.744 6.993 -7.904 1.00 50.00 H new ATOM 0 HG3 GLN A 35 -16.184 5.642 -8.869 1.00 50.00 H new ATOM 0 HE21 GLN A 35 -18.911 6.719 -8.647 1.00 33.14 H new ATOM 0 HE22 GLN A 35 -19.919 5.382 -8.083 1.00 33.14 H new ATOM 593 N GLN A 36 -12.459 5.074 -5.767 1.00 5.35 N ATOM 594 CA GLN A 36 -11.464 4.798 -4.703 1.00 74.51 C ATOM 595 C GLN A 36 -10.109 5.484 -4.974 1.00 41.20 C ATOM 596 O GLN A 36 -9.263 5.524 -4.074 1.00 1.01 O ATOM 597 CB GLN A 36 -11.271 3.271 -4.513 1.00 41.31 C ATOM 598 CG GLN A 36 -12.531 2.535 -4.011 1.00 23.54 C ATOM 599 CD GLN A 36 -13.038 3.038 -2.643 1.00 13.12 C ATOM 600 OE1 GLN A 36 -12.259 3.472 -1.786 1.00 33.53 O ATOM 601 NE2 GLN A 36 -14.344 3.000 -2.435 1.00 61.25 N ATOM 0 H GLN A 36 -12.438 4.401 -6.533 1.00 5.35 H new ATOM 0 HA GLN A 36 -11.861 5.222 -3.780 1.00 74.51 H new ATOM 0 HB2 GLN A 36 -10.962 2.834 -5.462 1.00 41.31 H new ATOM 0 HB3 GLN A 36 -10.459 3.103 -3.805 1.00 41.31 H new ATOM 0 HG2 GLN A 36 -13.326 2.650 -4.748 1.00 23.54 H new ATOM 0 HG3 GLN A 36 -12.314 1.469 -3.939 1.00 23.54 H new ATOM 0 HE21 GLN A 36 -14.965 2.637 -3.158 1.00 61.25 H new ATOM 0 HE22 GLN A 36 -14.730 3.333 -1.552 1.00 61.25 H new ATOM 610 N GLU A 37 -9.898 5.961 -6.227 1.00 34.12 N ATOM 611 CA GLU A 37 -8.627 6.591 -6.677 1.00 3.02 C ATOM 612 C GLU A 37 -8.105 7.655 -5.693 1.00 32.14 C ATOM 613 O GLU A 37 -6.988 7.529 -5.203 1.00 53.04 O ATOM 614 CB GLU A 37 -8.798 7.218 -8.092 1.00 45.34 C ATOM 615 CG GLU A 37 -7.554 7.979 -8.627 1.00 71.40 C ATOM 616 CD GLU A 37 -7.705 8.522 -10.060 1.00 4.43 C ATOM 617 OE1 GLU A 37 -8.722 9.184 -10.352 1.00 20.23 O ATOM 618 OE2 GLU A 37 -6.794 8.321 -10.894 1.00 4.15 O ATOM 0 H GLU A 37 -10.608 5.920 -6.959 1.00 34.12 H new ATOM 0 HA GLU A 37 -7.884 5.794 -6.716 1.00 3.02 H new ATOM 0 HB2 GLU A 37 -9.051 6.425 -8.796 1.00 45.34 H new ATOM 0 HB3 GLU A 37 -9.644 7.905 -8.069 1.00 45.34 H new ATOM 0 HG2 GLU A 37 -7.337 8.811 -7.958 1.00 71.40 H new ATOM 0 HG3 GLU A 37 -6.693 7.311 -8.594 1.00 71.40 H new ATOM 625 N VAL A 38 -8.940 8.667 -5.391 1.00 1.14 N ATOM 626 CA VAL A 38 -8.546 9.811 -4.545 1.00 53.05 C ATOM 627 C VAL A 38 -8.140 9.358 -3.126 1.00 61.43 C ATOM 628 O VAL A 38 -7.117 9.806 -2.607 1.00 71.43 O ATOM 629 CB VAL A 38 -9.696 10.888 -4.469 1.00 74.45 C ATOM 630 CG1 VAL A 38 -9.341 12.066 -3.528 1.00 3.41 C ATOM 631 CG2 VAL A 38 -10.045 11.403 -5.885 1.00 42.12 C ATOM 0 H VAL A 38 -9.903 8.715 -5.725 1.00 1.14 H new ATOM 0 HA VAL A 38 -7.675 10.269 -5.014 1.00 53.05 H new ATOM 0 HB VAL A 38 -10.571 10.397 -4.043 1.00 74.45 H new ATOM 0 HG11 VAL A 38 -10.165 12.779 -3.511 1.00 3.41 H new ATOM 0 HG12 VAL A 38 -9.168 11.688 -2.521 1.00 3.41 H new ATOM 0 HG13 VAL A 38 -8.440 12.561 -3.889 1.00 3.41 H new ATOM 0 HG21 VAL A 38 -10.840 12.145 -5.816 1.00 42.12 H new ATOM 0 HG22 VAL A 38 -9.162 11.857 -6.335 1.00 42.12 H new ATOM 0 HG23 VAL A 38 -10.379 10.570 -6.503 1.00 42.12 H new ATOM 641 N SER A 39 -8.925 8.443 -2.531 1.00 4.32 N ATOM 642 CA SER A 39 -8.676 7.939 -1.169 1.00 64.14 C ATOM 643 C SER A 39 -7.401 7.084 -1.119 1.00 65.45 C ATOM 644 O SER A 39 -6.662 7.127 -0.139 1.00 35.43 O ATOM 645 CB SER A 39 -9.898 7.144 -0.655 1.00 10.21 C ATOM 646 OG SER A 39 -10.275 6.110 -1.549 1.00 3.55 O ATOM 0 H SER A 39 -9.746 8.034 -2.978 1.00 4.32 H new ATOM 0 HA SER A 39 -8.524 8.795 -0.512 1.00 64.14 H new ATOM 0 HB2 SER A 39 -9.667 6.714 0.319 1.00 10.21 H new ATOM 0 HB3 SER A 39 -10.738 7.824 -0.512 1.00 10.21 H new ATOM 0 HG SER A 39 -9.680 6.117 -2.327 1.00 3.55 H new ATOM 652 N TYR A 40 -7.144 6.343 -2.212 1.00 62.22 N ATOM 653 CA TYR A 40 -5.979 5.457 -2.341 1.00 22.20 C ATOM 654 C TYR A 40 -4.688 6.293 -2.434 1.00 44.25 C ATOM 655 O TYR A 40 -3.751 6.084 -1.652 1.00 61.22 O ATOM 656 CB TYR A 40 -6.170 4.557 -3.592 1.00 4.24 C ATOM 657 CG TYR A 40 -5.036 3.564 -3.879 1.00 34.10 C ATOM 658 CD1 TYR A 40 -4.762 2.508 -3.004 1.00 51.14 C ATOM 659 CD2 TYR A 40 -4.260 3.664 -5.041 1.00 2.03 C ATOM 660 CE1 TYR A 40 -3.757 1.599 -3.273 1.00 65.31 C ATOM 661 CE2 TYR A 40 -3.256 2.760 -5.306 1.00 63.24 C ATOM 662 CZ TYR A 40 -3.008 1.727 -4.424 1.00 75.20 C ATOM 663 OH TYR A 40 -2.012 0.813 -4.698 1.00 5.22 O ATOM 0 H TYR A 40 -7.746 6.344 -3.036 1.00 62.22 H new ATOM 0 HA TYR A 40 -5.891 4.818 -1.462 1.00 22.20 H new ATOM 0 HB2 TYR A 40 -7.097 3.996 -3.475 1.00 4.24 H new ATOM 0 HB3 TYR A 40 -6.294 5.200 -4.463 1.00 4.24 H new ATOM 0 HD1 TYR A 40 -5.346 2.401 -2.102 1.00 51.14 H new ATOM 0 HD2 TYR A 40 -4.453 4.464 -5.741 1.00 2.03 H new ATOM 0 HE1 TYR A 40 -3.559 0.791 -2.584 1.00 65.31 H new ATOM 0 HE2 TYR A 40 -2.663 2.859 -6.203 1.00 63.24 H new ATOM 0 HH TYR A 40 -1.693 0.416 -3.861 1.00 5.22 H new ATOM 673 N LEU A 41 -4.695 7.268 -3.369 1.00 0.10 N ATOM 674 CA LEU A 41 -3.556 8.166 -3.627 1.00 2.24 C ATOM 675 C LEU A 41 -3.257 9.041 -2.393 1.00 22.12 C ATOM 676 O LEU A 41 -2.103 9.178 -2.003 1.00 54.50 O ATOM 677 CB LEU A 41 -3.813 9.065 -4.878 1.00 53.13 C ATOM 678 CG LEU A 41 -4.078 8.335 -6.242 1.00 61.22 C ATOM 679 CD1 LEU A 41 -4.232 9.346 -7.400 1.00 44.24 C ATOM 680 CD2 LEU A 41 -2.992 7.284 -6.560 1.00 3.15 C ATOM 0 H LEU A 41 -5.499 7.453 -3.969 1.00 0.10 H new ATOM 0 HA LEU A 41 -2.686 7.542 -3.831 1.00 2.24 H new ATOM 0 HB2 LEU A 41 -4.670 9.704 -4.665 1.00 53.13 H new ATOM 0 HB3 LEU A 41 -2.951 9.720 -5.007 1.00 53.13 H new ATOM 0 HG LEU A 41 -5.021 7.799 -6.136 1.00 61.22 H new ATOM 0 HD11 LEU A 41 -4.414 8.808 -8.330 1.00 44.24 H new ATOM 0 HD12 LEU A 41 -5.071 10.010 -7.194 1.00 44.24 H new ATOM 0 HD13 LEU A 41 -3.319 9.934 -7.494 1.00 44.24 H new ATOM 0 HD21 LEU A 41 -3.217 6.805 -7.513 1.00 3.15 H new ATOM 0 HD22 LEU A 41 -2.019 7.773 -6.620 1.00 3.15 H new ATOM 0 HD23 LEU A 41 -2.972 6.532 -5.771 1.00 3.15 H new ATOM 692 N GLN A 42 -4.318 9.582 -1.762 1.00 41.31 N ATOM 693 CA GLN A 42 -4.189 10.494 -0.609 1.00 12.30 C ATOM 694 C GLN A 42 -3.632 9.754 0.625 1.00 34.24 C ATOM 695 O GLN A 42 -2.714 10.257 1.281 1.00 70.22 O ATOM 696 CB GLN A 42 -5.559 11.156 -0.282 1.00 41.42 C ATOM 697 CG GLN A 42 -5.518 12.170 0.883 1.00 74.30 C ATOM 698 CD GLN A 42 -6.835 12.914 1.121 1.00 0.30 C ATOM 699 OE1 GLN A 42 -7.612 13.153 0.196 1.00 13.43 O ATOM 700 NE2 GLN A 42 -7.086 13.304 2.357 1.00 52.22 N ATOM 0 H GLN A 42 -5.284 9.400 -2.036 1.00 41.31 H new ATOM 0 HA GLN A 42 -3.481 11.279 -0.876 1.00 12.30 H new ATOM 0 HB2 GLN A 42 -5.926 11.662 -1.175 1.00 41.42 H new ATOM 0 HB3 GLN A 42 -6.278 10.373 -0.041 1.00 41.42 H new ATOM 0 HG2 GLN A 42 -5.242 11.644 1.797 1.00 74.30 H new ATOM 0 HG3 GLN A 42 -4.733 12.900 0.686 1.00 74.30 H new ATOM 0 HE21 GLN A 42 -6.424 13.092 3.103 1.00 52.22 H new ATOM 0 HE22 GLN A 42 -7.942 13.818 2.566 1.00 52.22 H new ATOM 709 N SER A 43 -4.179 8.552 0.914 1.00 1.52 N ATOM 710 CA SER A 43 -3.756 7.751 2.077 1.00 24.23 C ATOM 711 C SER A 43 -2.299 7.273 1.932 1.00 54.12 C ATOM 712 O SER A 43 -1.532 7.357 2.893 1.00 13.01 O ATOM 713 CB SER A 43 -4.705 6.549 2.303 1.00 32.35 C ATOM 714 OG SER A 43 -6.014 6.995 2.626 1.00 61.44 O ATOM 0 H SER A 43 -4.914 8.118 0.356 1.00 1.52 H new ATOM 0 HA SER A 43 -3.811 8.397 2.953 1.00 24.23 H new ATOM 0 HB2 SER A 43 -4.737 5.931 1.405 1.00 32.35 H new ATOM 0 HB3 SER A 43 -4.320 5.922 3.108 1.00 32.35 H new ATOM 0 HG SER A 43 -6.517 7.157 1.801 1.00 61.44 H new ATOM 720 N ILE A 44 -1.914 6.816 0.717 1.00 12.12 N ATOM 721 CA ILE A 44 -0.552 6.294 0.470 1.00 14.34 C ATOM 722 C ILE A 44 0.491 7.437 0.527 1.00 23.51 C ATOM 723 O ILE A 44 1.607 7.238 1.034 1.00 45.43 O ATOM 724 CB ILE A 44 -0.471 5.470 -0.881 1.00 12.41 C ATOM 725 CG1 ILE A 44 0.807 4.577 -0.931 1.00 63.03 C ATOM 726 CG2 ILE A 44 -0.556 6.372 -2.132 1.00 3.24 C ATOM 727 CD1 ILE A 44 0.811 3.585 -2.080 1.00 10.14 C ATOM 0 H ILE A 44 -2.523 6.799 -0.101 1.00 12.12 H new ATOM 0 HA ILE A 44 -0.311 5.592 1.268 1.00 14.34 H new ATOM 0 HB ILE A 44 -1.345 4.819 -0.894 1.00 12.41 H new ATOM 0 HG12 ILE A 44 1.685 5.218 -1.012 1.00 63.03 H new ATOM 0 HG13 ILE A 44 0.896 4.032 0.009 1.00 63.03 H new ATOM 0 HG21 ILE A 44 -0.496 5.756 -3.029 1.00 3.24 H new ATOM 0 HG22 ILE A 44 -1.502 6.914 -2.127 1.00 3.24 H new ATOM 0 HG23 ILE A 44 0.270 7.084 -2.124 1.00 3.24 H new ATOM 0 HD11 ILE A 44 1.730 2.999 -2.051 1.00 10.14 H new ATOM 0 HD12 ILE A 44 -0.047 2.919 -1.989 1.00 10.14 H new ATOM 0 HD13 ILE A 44 0.754 4.124 -3.026 1.00 10.14 H new ATOM 739 N GLU A 45 0.093 8.643 0.042 1.00 54.30 N ATOM 740 CA GLU A 45 0.891 9.879 0.179 1.00 73.50 C ATOM 741 C GLU A 45 1.140 10.196 1.655 1.00 53.52 C ATOM 742 O GLU A 45 2.264 10.512 2.033 1.00 23.54 O ATOM 743 CB GLU A 45 0.187 11.086 -0.517 1.00 4.35 C ATOM 744 CG GLU A 45 0.329 11.113 -2.051 1.00 2.44 C ATOM 745 CD GLU A 45 1.783 11.323 -2.524 1.00 71.20 C ATOM 746 OE1 GLU A 45 2.164 12.474 -2.807 1.00 1.44 O ATOM 747 OE2 GLU A 45 2.546 10.337 -2.627 1.00 14.03 O ATOM 0 H GLU A 45 -0.788 8.780 -0.453 1.00 54.30 H new ATOM 0 HA GLU A 45 1.849 9.713 -0.314 1.00 73.50 H new ATOM 0 HB2 GLU A 45 -0.873 11.067 -0.264 1.00 4.35 H new ATOM 0 HB3 GLU A 45 0.595 12.011 -0.111 1.00 4.35 H new ATOM 0 HG2 GLU A 45 -0.048 10.176 -2.461 1.00 2.44 H new ATOM 0 HG3 GLU A 45 -0.296 11.911 -2.453 1.00 2.44 H new ATOM 754 N THR A 46 0.070 10.079 2.468 1.00 74.13 N ATOM 755 CA THR A 46 0.121 10.313 3.921 1.00 42.23 C ATOM 756 C THR A 46 1.139 9.374 4.604 1.00 51.24 C ATOM 757 O THR A 46 1.941 9.823 5.411 1.00 34.20 O ATOM 758 CB THR A 46 -1.300 10.144 4.567 1.00 34.25 C ATOM 759 OG1 THR A 46 -2.209 11.080 3.962 1.00 20.10 O ATOM 760 CG2 THR A 46 -1.293 10.350 6.099 1.00 14.42 C ATOM 0 H THR A 46 -0.857 9.818 2.131 1.00 74.13 H new ATOM 0 HA THR A 46 0.450 11.340 4.077 1.00 42.23 H new ATOM 0 HB THR A 46 -1.619 9.118 4.384 1.00 34.25 H new ATOM 0 HG1 THR A 46 -2.390 10.809 3.038 1.00 20.10 H new ATOM 0 HG21 THR A 46 -2.303 10.221 6.488 1.00 14.42 H new ATOM 0 HG22 THR A 46 -0.630 9.619 6.561 1.00 14.42 H new ATOM 0 HG23 THR A 46 -0.942 11.356 6.329 1.00 14.42 H new ATOM 768 N VAL A 47 1.112 8.079 4.240 1.00 70.32 N ATOM 769 CA VAL A 47 2.004 7.053 4.831 1.00 24.31 C ATOM 770 C VAL A 47 3.486 7.340 4.508 1.00 41.32 C ATOM 771 O VAL A 47 4.340 7.326 5.405 1.00 22.13 O ATOM 772 CB VAL A 47 1.619 5.613 4.328 1.00 53.41 C ATOM 773 CG1 VAL A 47 2.527 4.529 4.944 1.00 52.33 C ATOM 774 CG2 VAL A 47 0.144 5.317 4.632 1.00 31.35 C ATOM 0 H VAL A 47 0.476 7.711 3.532 1.00 70.32 H new ATOM 0 HA VAL A 47 1.872 7.097 5.912 1.00 24.31 H new ATOM 0 HB VAL A 47 1.769 5.590 3.249 1.00 53.41 H new ATOM 0 HG11 VAL A 47 2.228 3.549 4.571 1.00 52.33 H new ATOM 0 HG12 VAL A 47 3.563 4.722 4.667 1.00 52.33 H new ATOM 0 HG13 VAL A 47 2.432 4.549 6.030 1.00 52.33 H new ATOM 0 HG21 VAL A 47 -0.107 4.317 4.278 1.00 31.35 H new ATOM 0 HG22 VAL A 47 -0.024 5.374 5.707 1.00 31.35 H new ATOM 0 HG23 VAL A 47 -0.486 6.049 4.127 1.00 31.35 H new ATOM 784 N MET A 48 3.764 7.622 3.224 1.00 43.05 N ATOM 785 CA MET A 48 5.138 7.866 2.732 1.00 73.23 C ATOM 786 C MET A 48 5.666 9.240 3.181 1.00 43.22 C ATOM 787 O MET A 48 6.880 9.450 3.244 1.00 24.21 O ATOM 788 CB MET A 48 5.181 7.741 1.186 1.00 44.03 C ATOM 789 CG MET A 48 4.836 6.339 0.664 1.00 20.53 C ATOM 790 SD MET A 48 4.931 6.221 -1.133 1.00 31.15 S ATOM 791 CE MET A 48 3.617 7.316 -1.659 1.00 65.54 C ATOM 0 H MET A 48 3.050 7.688 2.499 1.00 43.05 H new ATOM 0 HA MET A 48 5.790 7.109 3.167 1.00 73.23 H new ATOM 0 HB2 MET A 48 4.485 8.460 0.754 1.00 44.03 H new ATOM 0 HB3 MET A 48 6.177 8.013 0.837 1.00 44.03 H new ATOM 0 HG2 MET A 48 5.517 5.613 1.108 1.00 20.53 H new ATOM 0 HG3 MET A 48 3.830 6.072 0.989 1.00 20.53 H new ATOM 0 HE1 MET A 48 2.896 6.758 -2.257 1.00 65.54 H new ATOM 0 HE2 MET A 48 3.118 7.732 -0.784 1.00 65.54 H new ATOM 0 HE3 MET A 48 4.036 8.126 -2.257 1.00 65.54 H new ATOM 801 N GLU A 49 4.746 10.178 3.471 1.00 41.42 N ATOM 802 CA GLU A 49 5.102 11.526 3.951 1.00 53.21 C ATOM 803 C GLU A 49 5.372 11.502 5.469 1.00 51.14 C ATOM 804 O GLU A 49 6.269 12.198 5.961 1.00 35.02 O ATOM 805 CB GLU A 49 3.963 12.530 3.612 1.00 72.51 C ATOM 806 CG GLU A 49 4.271 14.009 3.923 1.00 65.14 C ATOM 807 CD GLU A 49 5.445 14.580 3.096 1.00 2.11 C ATOM 808 OE1 GLU A 49 6.605 14.546 3.563 1.00 51.12 O ATOM 809 OE2 GLU A 49 5.213 15.047 1.965 1.00 52.52 O ATOM 0 H GLU A 49 3.742 10.025 3.380 1.00 41.42 H new ATOM 0 HA GLU A 49 6.013 11.850 3.448 1.00 53.21 H new ATOM 0 HB2 GLU A 49 3.727 12.441 2.552 1.00 72.51 H new ATOM 0 HB3 GLU A 49 3.069 12.239 4.163 1.00 72.51 H new ATOM 0 HG2 GLU A 49 3.379 14.606 3.733 1.00 65.14 H new ATOM 0 HG3 GLU A 49 4.501 14.109 4.984 1.00 65.14 H new ATOM 816 N LYS A 50 4.612 10.661 6.193 1.00 40.10 N ATOM 817 CA LYS A 50 4.689 10.555 7.666 1.00 33.41 C ATOM 818 C LYS A 50 5.812 9.600 8.087 1.00 62.15 C ATOM 819 O LYS A 50 6.163 8.662 7.359 1.00 31.53 O ATOM 820 CB LYS A 50 3.304 10.131 8.276 1.00 21.03 C ATOM 821 CG LYS A 50 2.353 11.316 8.606 1.00 24.22 C ATOM 822 CD LYS A 50 2.099 12.267 7.409 1.00 13.34 C ATOM 823 CE LYS A 50 1.347 13.537 7.806 1.00 51.12 C ATOM 824 NZ LYS A 50 1.205 14.468 6.656 1.00 53.40 N ATOM 0 H LYS A 50 3.925 10.033 5.775 1.00 40.10 H new ATOM 0 HA LYS A 50 4.930 11.540 8.066 1.00 33.41 H new ATOM 0 HB2 LYS A 50 2.802 9.464 7.575 1.00 21.03 H new ATOM 0 HB3 LYS A 50 3.482 9.561 9.188 1.00 21.03 H new ATOM 0 HG2 LYS A 50 1.398 10.918 8.951 1.00 24.22 H new ATOM 0 HG3 LYS A 50 2.776 11.890 9.431 1.00 24.22 H new ATOM 0 HD2 LYS A 50 3.054 12.542 6.961 1.00 13.34 H new ATOM 0 HD3 LYS A 50 1.529 11.737 6.645 1.00 13.34 H new ATOM 0 HE2 LYS A 50 0.360 13.273 8.186 1.00 51.12 H new ATOM 0 HE3 LYS A 50 1.877 14.037 8.617 1.00 51.12 H new ATOM 0 HZ1 LYS A 50 0.690 15.319 6.960 1.00 53.40 H new ATOM 0 HZ2 LYS A 50 2.148 14.739 6.310 1.00 53.40 H new ATOM 0 HZ3 LYS A 50 0.677 13.999 5.892 1.00 53.40 H new ATOM 838 N GLN A 51 6.355 9.866 9.275 1.00 3.11 N ATOM 839 CA GLN A 51 7.507 9.149 9.828 1.00 41.00 C ATOM 840 C GLN A 51 7.090 7.760 10.356 1.00 52.10 C ATOM 841 O GLN A 51 6.078 7.633 11.060 1.00 61.25 O ATOM 842 CB GLN A 51 8.139 9.987 10.975 1.00 41.35 C ATOM 843 CG GLN A 51 9.457 9.417 11.553 1.00 22.43 C ATOM 844 CD GLN A 51 10.055 10.215 12.719 1.00 2.51 C ATOM 845 OE1 GLN A 51 10.719 9.651 13.589 1.00 25.42 O ATOM 846 NE2 GLN A 51 9.860 11.532 12.749 1.00 60.22 N ATOM 0 H GLN A 51 6.002 10.598 9.891 1.00 3.11 H new ATOM 0 HA GLN A 51 8.241 9.004 9.035 1.00 41.00 H new ATOM 0 HB2 GLN A 51 8.328 10.995 10.606 1.00 41.35 H new ATOM 0 HB3 GLN A 51 7.413 10.074 11.783 1.00 41.35 H new ATOM 0 HG2 GLN A 51 9.277 8.395 11.887 1.00 22.43 H new ATOM 0 HG3 GLN A 51 10.195 9.366 10.752 1.00 22.43 H new ATOM 0 HE21 GLN A 51 9.307 11.982 12.020 1.00 60.22 H new ATOM 0 HE22 GLN A 51 10.264 12.090 13.501 1.00 60.22 H new ATOM 855 N THR A 52 7.873 6.739 9.984 1.00 23.34 N ATOM 856 CA THR A 52 7.767 5.388 10.541 1.00 50.13 C ATOM 857 C THR A 52 8.362 5.382 11.973 1.00 72.42 C ATOM 858 O THR A 52 9.513 5.825 12.149 1.00 11.50 O ATOM 859 CB THR A 52 8.540 4.365 9.645 1.00 40.52 C ATOM 860 OG1 THR A 52 8.133 4.518 8.276 1.00 0.02 O ATOM 861 CG2 THR A 52 8.303 2.915 10.087 1.00 3.43 C ATOM 0 H THR A 52 8.605 6.831 9.280 1.00 23.34 H new ATOM 0 HA THR A 52 6.717 5.096 10.574 1.00 50.13 H new ATOM 0 HB THR A 52 9.604 4.576 9.750 1.00 40.52 H new ATOM 0 HG1 THR A 52 7.260 4.093 8.145 1.00 0.02 H new ATOM 0 HG21 THR A 52 8.859 2.241 9.436 1.00 3.43 H new ATOM 0 HG22 THR A 52 8.641 2.788 11.115 1.00 3.43 H new ATOM 0 HG23 THR A 52 7.239 2.685 10.024 1.00 3.43 H new ATOM 869 N PRO A 53 7.597 4.918 13.015 1.00 4.44 N ATOM 870 CA PRO A 53 8.095 4.906 14.416 1.00 43.00 C ATOM 871 C PRO A 53 9.177 3.813 14.662 1.00 62.04 C ATOM 872 O PRO A 53 9.163 2.778 13.992 1.00 30.41 O ATOM 873 CB PRO A 53 6.807 4.619 15.232 1.00 11.31 C ATOM 874 CG PRO A 53 5.950 3.822 14.297 1.00 14.15 C ATOM 875 CD PRO A 53 6.200 4.395 12.922 1.00 51.15 C ATOM 0 HA PRO A 53 8.593 5.836 14.689 1.00 43.00 H new ATOM 0 HB2 PRO A 53 7.028 4.062 16.142 1.00 11.31 H new ATOM 0 HB3 PRO A 53 6.314 5.542 15.535 1.00 11.31 H new ATOM 0 HG2 PRO A 53 6.210 2.764 14.333 1.00 14.15 H new ATOM 0 HG3 PRO A 53 4.897 3.901 14.568 1.00 14.15 H new ATOM 0 HD2 PRO A 53 6.106 3.635 12.146 1.00 51.15 H new ATOM 0 HD3 PRO A 53 5.490 5.186 12.681 1.00 51.15 H new ATOM 883 N PRO A 54 10.114 4.033 15.648 1.00 5.03 N ATOM 884 CA PRO A 54 11.155 3.038 16.038 1.00 21.55 C ATOM 885 C PRO A 54 10.574 1.693 16.516 1.00 52.23 C ATOM 886 O PRO A 54 11.093 0.629 16.148 1.00 61.51 O ATOM 887 CB PRO A 54 11.947 3.758 17.161 1.00 21.14 C ATOM 888 CG PRO A 54 11.704 5.219 16.910 1.00 72.55 C ATOM 889 CD PRO A 54 10.276 5.297 16.428 1.00 11.42 C ATOM 0 HA PRO A 54 11.776 2.754 15.188 1.00 21.55 H new ATOM 0 HB2 PRO A 54 11.595 3.460 18.149 1.00 21.14 H new ATOM 0 HB3 PRO A 54 13.009 3.518 17.115 1.00 21.14 H new ATOM 0 HG2 PRO A 54 11.847 5.805 17.818 1.00 72.55 H new ATOM 0 HG3 PRO A 54 12.395 5.612 16.164 1.00 72.55 H new ATOM 0 HD2 PRO A 54 9.572 5.351 17.259 1.00 11.42 H new ATOM 0 HD3 PRO A 54 10.107 6.178 15.809 1.00 11.42 H new ATOM 897 N GLY A 55 9.535 1.777 17.376 1.00 1.10 N ATOM 898 CA GLY A 55 8.892 0.608 17.993 1.00 40.23 C ATOM 899 C GLY A 55 8.206 -0.329 16.994 1.00 2.42 C ATOM 900 O GLY A 55 6.980 -0.276 16.808 1.00 5.31 O ATOM 0 H GLY A 55 9.121 2.665 17.660 1.00 1.10 H new ATOM 0 HA2 GLY A 55 9.643 0.044 18.547 1.00 40.23 H new ATOM 0 HA3 GLY A 55 8.154 0.953 18.717 1.00 40.23 H new ATOM 904 N ILE A 56 9.024 -1.182 16.349 1.00 13.45 N ATOM 905 CA ILE A 56 8.584 -2.191 15.371 1.00 13.10 C ATOM 906 C ILE A 56 9.207 -3.545 15.744 1.00 5.41 C ATOM 907 O ILE A 56 10.432 -3.713 15.678 1.00 14.12 O ATOM 908 CB ILE A 56 8.998 -1.797 13.894 1.00 44.31 C ATOM 909 CG1 ILE A 56 8.302 -0.469 13.461 1.00 65.31 C ATOM 910 CG2 ILE A 56 8.698 -2.936 12.879 1.00 42.32 C ATOM 911 CD1 ILE A 56 8.666 0.007 12.068 1.00 50.14 C ATOM 0 H ILE A 56 10.033 -1.188 16.498 1.00 13.45 H new ATOM 0 HA ILE A 56 7.496 -2.250 15.400 1.00 13.10 H new ATOM 0 HB ILE A 56 10.077 -1.641 13.891 1.00 44.31 H new ATOM 0 HG12 ILE A 56 7.222 -0.606 13.514 1.00 65.31 H new ATOM 0 HG13 ILE A 56 8.560 0.312 14.177 1.00 65.31 H new ATOM 0 HG21 ILE A 56 8.998 -2.621 11.880 1.00 42.32 H new ATOM 0 HG22 ILE A 56 9.255 -3.830 13.160 1.00 42.32 H new ATOM 0 HG23 ILE A 56 7.631 -3.157 12.885 1.00 42.32 H new ATOM 0 HD11 ILE A 56 8.137 0.935 11.851 1.00 50.14 H new ATOM 0 HD12 ILE A 56 9.741 0.180 12.012 1.00 50.14 H new ATOM 0 HD13 ILE A 56 8.382 -0.752 11.339 1.00 50.14 H new ATOM 923 N THR A 57 8.360 -4.483 16.178 1.00 53.01 N ATOM 924 CA THR A 57 8.753 -5.878 16.427 1.00 62.52 C ATOM 925 C THR A 57 8.796 -6.642 15.097 1.00 5.05 C ATOM 926 O THR A 57 8.419 -6.088 14.054 1.00 54.23 O ATOM 927 CB THR A 57 7.742 -6.564 17.402 1.00 73.54 C ATOM 928 OG1 THR A 57 6.419 -6.506 16.842 1.00 64.11 O ATOM 929 CG2 THR A 57 7.750 -5.903 18.794 1.00 52.23 C ATOM 0 H THR A 57 7.375 -4.297 16.368 1.00 53.01 H new ATOM 0 HA THR A 57 9.741 -5.891 16.887 1.00 62.52 H new ATOM 0 HB THR A 57 8.049 -7.602 17.528 1.00 73.54 H new ATOM 0 HG1 THR A 57 5.786 -6.938 17.453 1.00 64.11 H new ATOM 0 HG21 THR A 57 7.034 -6.409 19.441 1.00 52.23 H new ATOM 0 HG22 THR A 57 8.747 -5.979 19.227 1.00 52.23 H new ATOM 0 HG23 THR A 57 7.474 -4.853 18.700 1.00 52.23 H new ATOM 937 N ARG A 58 9.238 -7.915 15.134 1.00 54.13 N ATOM 938 CA ARG A 58 9.274 -8.764 13.933 1.00 52.31 C ATOM 939 C ARG A 58 7.847 -9.007 13.404 1.00 21.22 C ATOM 940 O ARG A 58 7.640 -8.980 12.198 1.00 35.13 O ATOM 941 CB ARG A 58 10.009 -10.108 14.208 1.00 21.23 C ATOM 942 CG ARG A 58 10.058 -11.093 13.002 1.00 35.32 C ATOM 943 CD ARG A 58 10.621 -10.446 11.728 1.00 51.04 C ATOM 944 NE ARG A 58 10.658 -11.366 10.584 1.00 55.35 N ATOM 945 CZ ARG A 58 11.162 -11.062 9.373 1.00 72.53 C ATOM 946 NH1 ARG A 58 11.679 -9.858 9.123 1.00 25.45 N ATOM 947 NH2 ARG A 58 11.148 -11.967 8.413 1.00 41.22 N ATOM 0 H ARG A 58 9.573 -8.374 15.981 1.00 54.13 H new ATOM 0 HA ARG A 58 9.840 -8.238 13.164 1.00 52.31 H new ATOM 0 HB2 ARG A 58 11.030 -9.889 14.520 1.00 21.23 H new ATOM 0 HB3 ARG A 58 9.520 -10.607 15.045 1.00 21.23 H new ATOM 0 HG2 ARG A 58 10.670 -11.955 13.267 1.00 35.32 H new ATOM 0 HG3 ARG A 58 9.053 -11.465 12.802 1.00 35.32 H new ATOM 0 HD2 ARG A 58 10.014 -9.578 11.470 1.00 51.04 H new ATOM 0 HD3 ARG A 58 11.629 -10.082 11.927 1.00 51.04 H new ATOM 0 HE ARG A 58 10.275 -12.302 10.716 1.00 55.35 H new ATOM 0 HH11 ARG A 58 11.697 -9.149 9.856 1.00 25.45 H new ATOM 0 HH12 ARG A 58 12.056 -9.647 8.199 1.00 25.45 H new ATOM 0 HH21 ARG A 58 10.757 -12.892 8.590 1.00 41.22 H new ATOM 0 HH22 ARG A 58 11.529 -11.741 7.494 1.00 41.22 H new ATOM 961 N SER A 59 6.873 -9.200 14.318 1.00 5.22 N ATOM 962 CA SER A 59 5.458 -9.406 13.953 1.00 23.01 C ATOM 963 C SER A 59 4.912 -8.195 13.158 1.00 4.01 C ATOM 964 O SER A 59 4.305 -8.368 12.094 1.00 71.22 O ATOM 965 CB SER A 59 4.628 -9.650 15.233 1.00 11.13 C ATOM 966 OG SER A 59 5.159 -10.726 15.999 1.00 61.31 O ATOM 0 H SER A 59 7.045 -9.217 15.323 1.00 5.22 H new ATOM 0 HA SER A 59 5.379 -10.282 13.309 1.00 23.01 H new ATOM 0 HB2 SER A 59 4.614 -8.743 15.838 1.00 11.13 H new ATOM 0 HB3 SER A 59 3.595 -9.869 14.962 1.00 11.13 H new ATOM 0 HG SER A 59 4.614 -10.855 16.803 1.00 61.31 H new ATOM 972 N ILE A 60 5.183 -6.974 13.676 1.00 11.04 N ATOM 973 CA ILE A 60 4.814 -5.701 13.013 1.00 63.41 C ATOM 974 C ILE A 60 5.509 -5.589 11.642 1.00 24.40 C ATOM 975 O ILE A 60 4.883 -5.202 10.657 1.00 43.31 O ATOM 976 CB ILE A 60 5.179 -4.454 13.914 1.00 35.00 C ATOM 977 CG1 ILE A 60 4.397 -4.514 15.263 1.00 33.45 C ATOM 978 CG2 ILE A 60 4.910 -3.114 13.180 1.00 54.15 C ATOM 979 CD1 ILE A 60 4.798 -3.469 16.296 1.00 54.14 C ATOM 0 H ILE A 60 5.664 -6.844 14.566 1.00 11.04 H new ATOM 0 HA ILE A 60 3.734 -5.704 12.865 1.00 63.41 H new ATOM 0 HB ILE A 60 6.248 -4.497 14.125 1.00 35.00 H new ATOM 0 HG12 ILE A 60 3.333 -4.403 15.052 1.00 33.45 H new ATOM 0 HG13 ILE A 60 4.534 -5.503 15.699 1.00 33.45 H new ATOM 0 HG21 ILE A 60 5.174 -2.282 13.833 1.00 54.15 H new ATOM 0 HG22 ILE A 60 5.513 -3.069 12.273 1.00 54.15 H new ATOM 0 HG23 ILE A 60 3.854 -3.049 12.917 1.00 54.15 H new ATOM 0 HD11 ILE A 60 4.196 -3.597 17.196 1.00 54.14 H new ATOM 0 HD12 ILE A 60 5.852 -3.589 16.545 1.00 54.14 H new ATOM 0 HD13 ILE A 60 4.633 -2.472 15.888 1.00 54.14 H new ATOM 991 N GLN A 61 6.792 -5.977 11.608 1.00 14.41 N ATOM 992 CA GLN A 61 7.634 -5.931 10.403 1.00 14.43 C ATOM 993 C GLN A 61 7.074 -6.856 9.297 1.00 44.25 C ATOM 994 O GLN A 61 7.085 -6.490 8.119 1.00 40.23 O ATOM 995 CB GLN A 61 9.083 -6.325 10.790 1.00 13.04 C ATOM 996 CG GLN A 61 10.119 -6.259 9.657 1.00 44.43 C ATOM 997 CD GLN A 61 11.538 -6.598 10.117 1.00 12.32 C ATOM 998 OE1 GLN A 61 11.743 -7.374 11.054 1.00 70.33 O ATOM 999 NE2 GLN A 61 12.525 -6.036 9.456 1.00 3.22 N ATOM 0 H GLN A 61 7.281 -6.337 12.428 1.00 14.41 H new ATOM 0 HA GLN A 61 7.634 -4.919 9.998 1.00 14.43 H new ATOM 0 HB2 GLN A 61 9.414 -5.672 11.598 1.00 13.04 H new ATOM 0 HB3 GLN A 61 9.070 -7.340 11.186 1.00 13.04 H new ATOM 0 HG2 GLN A 61 9.826 -6.949 8.865 1.00 44.43 H new ATOM 0 HG3 GLN A 61 10.113 -5.258 9.226 1.00 44.43 H new ATOM 0 HE21 GLN A 61 12.325 -5.398 8.685 1.00 3.22 H new ATOM 0 HE22 GLN A 61 13.491 -6.238 9.713 1.00 3.22 H new ATOM 1008 N ASP A 62 6.559 -8.040 9.703 1.00 34.21 N ATOM 1009 CA ASP A 62 5.939 -9.018 8.782 1.00 13.42 C ATOM 1010 C ASP A 62 4.627 -8.468 8.206 1.00 64.45 C ATOM 1011 O ASP A 62 4.362 -8.618 7.007 1.00 34.44 O ATOM 1012 CB ASP A 62 5.655 -10.377 9.491 1.00 11.31 C ATOM 1013 CG ASP A 62 6.925 -11.140 9.918 1.00 21.53 C ATOM 1014 OD1 ASP A 62 7.794 -11.405 9.053 1.00 2.13 O ATOM 1015 OD2 ASP A 62 7.036 -11.543 11.100 1.00 73.14 O ATOM 0 H ASP A 62 6.562 -8.343 10.677 1.00 34.21 H new ATOM 0 HA ASP A 62 6.650 -9.188 7.974 1.00 13.42 H new ATOM 0 HB2 ASP A 62 5.040 -10.194 10.372 1.00 11.31 H new ATOM 0 HB3 ASP A 62 5.072 -11.009 8.822 1.00 11.31 H new ATOM 1020 N MET A 63 3.807 -7.848 9.084 1.00 60.24 N ATOM 1021 CA MET A 63 2.489 -7.292 8.704 1.00 62.20 C ATOM 1022 C MET A 63 2.635 -6.133 7.697 1.00 53.21 C ATOM 1023 O MET A 63 2.016 -6.157 6.624 1.00 31.11 O ATOM 1024 CB MET A 63 1.691 -6.828 9.960 1.00 54.04 C ATOM 1025 CG MET A 63 1.338 -7.959 10.937 1.00 32.12 C ATOM 1026 SD MET A 63 0.197 -7.447 12.246 1.00 35.32 S ATOM 1027 CE MET A 63 1.134 -6.197 13.120 1.00 11.34 C ATOM 0 H MET A 63 4.038 -7.720 10.069 1.00 60.24 H new ATOM 0 HA MET A 63 1.928 -8.090 8.218 1.00 62.20 H new ATOM 0 HB2 MET A 63 2.275 -6.075 10.490 1.00 54.04 H new ATOM 0 HB3 MET A 63 0.770 -6.345 9.633 1.00 54.04 H new ATOM 0 HG2 MET A 63 0.894 -8.785 10.381 1.00 32.12 H new ATOM 0 HG3 MET A 63 2.254 -8.336 11.391 1.00 32.12 H new ATOM 0 HE1 MET A 63 0.493 -5.708 13.853 1.00 11.34 H new ATOM 0 HE2 MET A 63 1.977 -6.664 13.629 1.00 11.34 H new ATOM 0 HE3 MET A 63 1.504 -5.457 12.410 1.00 11.34 H new ATOM 1037 N VAL A 64 3.483 -5.141 8.054 1.00 15.40 N ATOM 1038 CA VAL A 64 3.746 -3.953 7.225 1.00 2.23 C ATOM 1039 C VAL A 64 4.342 -4.369 5.864 1.00 22.51 C ATOM 1040 O VAL A 64 3.813 -3.973 4.831 1.00 71.23 O ATOM 1041 CB VAL A 64 4.691 -2.916 7.961 1.00 20.41 C ATOM 1042 CG1 VAL A 64 5.059 -1.717 7.048 1.00 72.14 C ATOM 1043 CG2 VAL A 64 4.036 -2.415 9.277 1.00 4.14 C ATOM 0 H VAL A 64 4.004 -5.147 8.931 1.00 15.40 H new ATOM 0 HA VAL A 64 2.793 -3.453 7.053 1.00 2.23 H new ATOM 0 HB VAL A 64 5.616 -3.438 8.205 1.00 20.41 H new ATOM 0 HG11 VAL A 64 5.708 -1.031 7.592 1.00 72.14 H new ATOM 0 HG12 VAL A 64 5.578 -2.081 6.161 1.00 72.14 H new ATOM 0 HG13 VAL A 64 4.150 -1.196 6.748 1.00 72.14 H new ATOM 0 HG21 VAL A 64 4.701 -1.704 9.767 1.00 4.14 H new ATOM 0 HG22 VAL A 64 3.088 -1.927 9.049 1.00 4.14 H new ATOM 0 HG23 VAL A 64 3.858 -3.262 9.940 1.00 4.14 H new ATOM 1053 N ALA A 65 5.404 -5.217 5.884 1.00 33.55 N ATOM 1054 CA ALA A 65 6.067 -5.698 4.647 1.00 60.30 C ATOM 1055 C ALA A 65 5.099 -6.505 3.773 1.00 72.31 C ATOM 1056 O ALA A 65 5.152 -6.407 2.552 1.00 43.41 O ATOM 1057 CB ALA A 65 7.320 -6.538 4.962 1.00 32.04 C ATOM 0 H ALA A 65 5.817 -5.580 6.743 1.00 33.55 H new ATOM 0 HA ALA A 65 6.381 -4.814 4.093 1.00 60.30 H new ATOM 0 HB1 ALA A 65 7.778 -6.872 4.031 1.00 32.04 H new ATOM 0 HB2 ALA A 65 8.034 -5.932 5.520 1.00 32.04 H new ATOM 0 HB3 ALA A 65 7.036 -7.405 5.558 1.00 32.04 H new ATOM 1063 N GLY A 66 4.214 -7.282 4.422 1.00 33.40 N ATOM 1064 CA GLY A 66 3.208 -8.081 3.719 1.00 11.43 C ATOM 1065 C GLY A 66 2.207 -7.218 2.961 1.00 2.23 C ATOM 1066 O GLY A 66 1.813 -7.546 1.835 1.00 20.33 O ATOM 0 H GLY A 66 4.179 -7.370 5.438 1.00 33.40 H new ATOM 0 HA2 GLY A 66 3.706 -8.754 3.021 1.00 11.43 H new ATOM 0 HA3 GLY A 66 2.676 -8.704 4.438 1.00 11.43 H new ATOM 1070 N TYR A 67 1.827 -6.090 3.586 1.00 11.41 N ATOM 1071 CA TYR A 67 0.880 -5.126 3.006 1.00 72.21 C ATOM 1072 C TYR A 67 1.515 -4.338 1.864 1.00 51.32 C ATOM 1073 O TYR A 67 0.865 -4.154 0.831 1.00 64.21 O ATOM 1074 CB TYR A 67 0.328 -4.188 4.103 1.00 70.22 C ATOM 1075 CG TYR A 67 -0.603 -4.866 5.121 1.00 54.13 C ATOM 1076 CD1 TYR A 67 -1.086 -6.176 4.950 1.00 22.23 C ATOM 1077 CD2 TYR A 67 -1.027 -4.176 6.244 1.00 74.35 C ATOM 1078 CE1 TYR A 67 -1.943 -6.748 5.860 1.00 74.25 C ATOM 1079 CE2 TYR A 67 -1.876 -4.748 7.152 1.00 51.33 C ATOM 1080 CZ TYR A 67 -2.341 -6.030 6.959 1.00 44.53 C ATOM 1081 OH TYR A 67 -3.208 -6.594 7.869 1.00 31.34 O ATOM 0 H TYR A 67 2.169 -5.822 4.509 1.00 11.41 H new ATOM 0 HA TYR A 67 0.044 -5.683 2.583 1.00 72.21 H new ATOM 0 HB2 TYR A 67 1.167 -3.744 4.638 1.00 70.22 H new ATOM 0 HB3 TYR A 67 -0.213 -3.371 3.625 1.00 70.22 H new ATOM 0 HD1 TYR A 67 -0.777 -6.745 4.085 1.00 22.23 H new ATOM 0 HD2 TYR A 67 -0.681 -3.166 6.407 1.00 74.35 H new ATOM 0 HE1 TYR A 67 -2.301 -7.756 5.711 1.00 74.25 H new ATOM 0 HE2 TYR A 67 -2.183 -4.191 8.025 1.00 51.33 H new ATOM 0 HH TYR A 67 -3.389 -5.954 8.589 1.00 31.34 H new ATOM 1091 N ILE A 68 2.789 -3.903 2.050 1.00 24.33 N ATOM 1092 CA ILE A 68 3.573 -3.217 0.997 1.00 51.25 C ATOM 1093 C ILE A 68 3.633 -4.127 -0.244 1.00 75.51 C ATOM 1094 O ILE A 68 3.230 -3.718 -1.329 1.00 71.42 O ATOM 1095 CB ILE A 68 5.049 -2.862 1.456 1.00 61.31 C ATOM 1096 CG1 ILE A 68 5.053 -1.971 2.740 1.00 73.13 C ATOM 1097 CG2 ILE A 68 5.837 -2.171 0.311 1.00 40.31 C ATOM 1098 CD1 ILE A 68 6.437 -1.653 3.302 1.00 11.22 C ATOM 0 H ILE A 68 3.295 -4.018 2.928 1.00 24.33 H new ATOM 0 HA ILE A 68 3.073 -2.274 0.776 1.00 51.25 H new ATOM 0 HB ILE A 68 5.547 -3.800 1.700 1.00 61.31 H new ATOM 0 HG12 ILE A 68 4.545 -1.033 2.515 1.00 73.13 H new ATOM 0 HG13 ILE A 68 4.470 -2.472 3.513 1.00 73.13 H new ATOM 0 HG21 ILE A 68 6.846 -1.938 0.652 1.00 40.31 H new ATOM 0 HG22 ILE A 68 5.890 -2.839 -0.549 1.00 40.31 H new ATOM 0 HG23 ILE A 68 5.330 -1.250 0.024 1.00 40.31 H new ATOM 0 HD11 ILE A 68 6.335 -1.031 4.191 1.00 11.22 H new ATOM 0 HD12 ILE A 68 6.945 -2.581 3.565 1.00 11.22 H new ATOM 0 HD13 ILE A 68 7.021 -1.120 2.551 1.00 11.22 H new ATOM 1110 N LYS A 69 4.057 -5.389 -0.005 1.00 40.45 N ATOM 1111 CA LYS A 69 4.183 -6.452 -1.021 1.00 53.54 C ATOM 1112 C LYS A 69 2.860 -6.619 -1.787 1.00 21.23 C ATOM 1113 O LYS A 69 2.848 -6.664 -3.022 1.00 71.42 O ATOM 1114 CB LYS A 69 4.609 -7.785 -0.303 1.00 42.03 C ATOM 1115 CG LYS A 69 5.102 -8.956 -1.202 1.00 32.12 C ATOM 1116 CD LYS A 69 3.960 -9.785 -1.840 1.00 4.14 C ATOM 1117 CE LYS A 69 4.468 -10.933 -2.728 1.00 13.20 C ATOM 1118 NZ LYS A 69 3.355 -11.568 -3.485 1.00 4.34 N ATOM 0 H LYS A 69 4.328 -5.702 0.927 1.00 40.45 H new ATOM 0 HA LYS A 69 4.946 -6.185 -1.752 1.00 53.54 H new ATOM 0 HB2 LYS A 69 5.402 -7.547 0.406 1.00 42.03 H new ATOM 0 HB3 LYS A 69 3.759 -8.141 0.278 1.00 42.03 H new ATOM 0 HG2 LYS A 69 5.730 -8.551 -1.996 1.00 32.12 H new ATOM 0 HG3 LYS A 69 5.729 -9.619 -0.606 1.00 32.12 H new ATOM 0 HD2 LYS A 69 3.333 -10.196 -1.049 1.00 4.14 H new ATOM 0 HD3 LYS A 69 3.330 -9.125 -2.436 1.00 4.14 H new ATOM 0 HE2 LYS A 69 5.214 -10.552 -3.426 1.00 13.20 H new ATOM 0 HE3 LYS A 69 4.963 -11.682 -2.109 1.00 13.20 H new ATOM 0 HZ1 LYS A 69 3.737 -12.304 -4.112 1.00 4.34 H new ATOM 0 HZ2 LYS A 69 2.682 -11.997 -2.818 1.00 4.34 H new ATOM 0 HZ3 LYS A 69 2.867 -10.847 -4.055 1.00 4.34 H new ATOM 1132 N GLN A 70 1.749 -6.655 -1.023 1.00 52.21 N ATOM 1133 CA GLN A 70 0.404 -6.890 -1.565 1.00 13.00 C ATOM 1134 C GLN A 70 0.004 -5.792 -2.564 1.00 42.52 C ATOM 1135 O GLN A 70 -0.402 -6.103 -3.683 1.00 73.34 O ATOM 1136 CB GLN A 70 -0.642 -6.996 -0.426 1.00 62.13 C ATOM 1137 CG GLN A 70 -2.042 -7.425 -0.907 1.00 50.00 C ATOM 1138 CD GLN A 70 -3.031 -7.703 0.220 1.00 14.35 C ATOM 1139 OE1 GLN A 70 -2.974 -7.106 1.290 1.00 71.32 O ATOM 1140 NE2 GLN A 70 -3.929 -8.636 -0.006 1.00 73.43 N ATOM 0 H GLN A 70 1.764 -6.521 -0.012 1.00 52.21 H new ATOM 0 HA GLN A 70 0.427 -7.839 -2.100 1.00 13.00 H new ATOM 0 HB2 GLN A 70 -0.287 -7.712 0.315 1.00 62.13 H new ATOM 0 HB3 GLN A 70 -0.720 -6.031 0.075 1.00 62.13 H new ATOM 0 HG2 GLN A 70 -2.449 -6.643 -1.548 1.00 50.00 H new ATOM 0 HG3 GLN A 70 -1.945 -8.321 -1.520 1.00 50.00 H new ATOM 0 HE21 GLN A 70 -3.951 -9.115 -0.906 1.00 73.43 H new ATOM 0 HE22 GLN A 70 -4.603 -8.881 0.719 1.00 73.43 H new ATOM 1149 N THR A 71 0.178 -4.509 -2.176 1.00 11.05 N ATOM 1150 CA THR A 71 -0.193 -3.375 -3.041 1.00 1.52 C ATOM 1151 C THR A 71 0.804 -3.224 -4.206 1.00 45.23 C ATOM 1152 O THR A 71 0.442 -2.662 -5.249 1.00 43.04 O ATOM 1153 CB THR A 71 -0.391 -2.013 -2.250 1.00 64.15 C ATOM 1154 OG1 THR A 71 -0.406 -0.891 -3.144 1.00 14.44 O ATOM 1155 CG2 THR A 71 0.653 -1.765 -1.163 1.00 15.22 C ATOM 0 H THR A 71 0.571 -4.237 -1.275 1.00 11.05 H new ATOM 0 HA THR A 71 -1.172 -3.611 -3.457 1.00 1.52 H new ATOM 0 HB THR A 71 -1.356 -2.118 -1.754 1.00 64.15 H new ATOM 0 HG1 THR A 71 -0.258 -0.066 -2.636 1.00 14.44 H new ATOM 0 HG21 THR A 71 0.447 -0.815 -0.671 1.00 15.22 H new ATOM 0 HG22 THR A 71 0.613 -2.570 -0.429 1.00 15.22 H new ATOM 0 HG23 THR A 71 1.646 -1.733 -1.612 1.00 15.22 H new ATOM 1163 N LEU A 72 2.056 -3.736 -4.041 1.00 62.51 N ATOM 1164 CA LEU A 72 3.036 -3.776 -5.144 1.00 45.05 C ATOM 1165 C LEU A 72 2.474 -4.639 -6.274 1.00 63.42 C ATOM 1166 O LEU A 72 2.330 -4.147 -7.390 1.00 42.12 O ATOM 1167 CB LEU A 72 4.442 -4.305 -4.716 1.00 24.24 C ATOM 1168 CG LEU A 72 5.224 -3.458 -3.666 1.00 21.33 C ATOM 1169 CD1 LEU A 72 6.682 -3.942 -3.491 1.00 24.22 C ATOM 1170 CD2 LEU A 72 5.150 -1.959 -3.994 1.00 43.20 C ATOM 0 H LEU A 72 2.400 -4.121 -3.161 1.00 62.51 H new ATOM 0 HA LEU A 72 3.190 -2.749 -5.475 1.00 45.05 H new ATOM 0 HB2 LEU A 72 4.319 -5.311 -4.316 1.00 24.24 H new ATOM 0 HB3 LEU A 72 5.059 -4.391 -5.610 1.00 24.24 H new ATOM 0 HG LEU A 72 4.735 -3.607 -2.703 1.00 21.33 H new ATOM 0 HD11 LEU A 72 7.185 -3.321 -2.750 1.00 24.22 H new ATOM 0 HD12 LEU A 72 6.683 -4.979 -3.156 1.00 24.22 H new ATOM 0 HD13 LEU A 72 7.207 -3.867 -4.443 1.00 24.22 H new ATOM 0 HD21 LEU A 72 5.704 -1.395 -3.244 1.00 43.20 H new ATOM 0 HD22 LEU A 72 5.584 -1.780 -4.978 1.00 43.20 H new ATOM 0 HD23 LEU A 72 4.109 -1.637 -3.993 1.00 43.20 H new ATOM 1182 N ASP A 73 2.112 -5.901 -5.939 1.00 1.30 N ATOM 1183 CA ASP A 73 1.498 -6.853 -6.894 1.00 63.32 C ATOM 1184 C ASP A 73 0.246 -6.255 -7.535 1.00 71.33 C ATOM 1185 O ASP A 73 0.238 -6.007 -8.739 1.00 33.12 O ATOM 1186 CB ASP A 73 1.141 -8.206 -6.205 1.00 75.32 C ATOM 1187 CG ASP A 73 2.372 -9.070 -5.925 1.00 12.34 C ATOM 1188 OD1 ASP A 73 2.713 -9.938 -6.763 1.00 24.40 O ATOM 1189 OD2 ASP A 73 3.025 -8.869 -4.892 1.00 63.50 O ATOM 0 H ASP A 73 2.237 -6.286 -5.003 1.00 1.30 H new ATOM 0 HA ASP A 73 2.237 -7.047 -7.672 1.00 63.32 H new ATOM 0 HB2 ASP A 73 0.622 -8.006 -5.268 1.00 75.32 H new ATOM 0 HB3 ASP A 73 0.450 -8.761 -6.840 1.00 75.32 H new ATOM 1194 N ASN A 74 -0.754 -5.954 -6.689 1.00 15.41 N ATOM 1195 CA ASN A 74 -2.102 -5.523 -7.114 1.00 74.23 C ATOM 1196 C ASN A 74 -2.055 -4.324 -8.074 1.00 72.40 C ATOM 1197 O ASN A 74 -2.584 -4.404 -9.188 1.00 73.23 O ATOM 1198 CB ASN A 74 -2.978 -5.166 -5.884 1.00 3.41 C ATOM 1199 CG ASN A 74 -3.233 -6.328 -4.919 1.00 54.10 C ATOM 1200 OD1 ASN A 74 -3.247 -7.496 -5.304 1.00 41.14 O ATOM 1201 ND2 ASN A 74 -3.450 -6.008 -3.652 1.00 3.40 N ATOM 0 H ASN A 74 -0.650 -6.003 -5.676 1.00 15.41 H new ATOM 0 HA ASN A 74 -2.545 -6.364 -7.647 1.00 74.23 H new ATOM 0 HB2 ASN A 74 -2.497 -4.356 -5.336 1.00 3.41 H new ATOM 0 HB3 ASN A 74 -3.937 -4.787 -6.236 1.00 3.41 H new ATOM 0 HD21 ASN A 74 -3.635 -6.740 -2.966 1.00 3.40 H new ATOM 0 HD22 ASN A 74 -3.432 -5.030 -3.363 1.00 3.40 H new ATOM 1208 N GLU A 75 -1.386 -3.231 -7.650 1.00 72.43 N ATOM 1209 CA GLU A 75 -1.365 -1.976 -8.425 1.00 14.11 C ATOM 1210 C GLU A 75 -0.474 -2.101 -9.683 1.00 33.44 C ATOM 1211 O GLU A 75 -0.763 -1.470 -10.703 1.00 14.13 O ATOM 1212 CB GLU A 75 -0.898 -0.774 -7.569 1.00 23.22 C ATOM 1213 CG GLU A 75 -1.206 0.606 -8.220 1.00 24.04 C ATOM 1214 CD GLU A 75 -0.216 1.713 -7.838 1.00 4.25 C ATOM 1215 OE1 GLU A 75 0.825 1.858 -8.536 1.00 52.14 O ATOM 1216 OE2 GLU A 75 -0.460 2.427 -6.856 1.00 51.42 O ATOM 0 H GLU A 75 -0.856 -3.194 -6.779 1.00 72.43 H new ATOM 0 HA GLU A 75 -2.392 -1.792 -8.740 1.00 14.11 H new ATOM 0 HB2 GLU A 75 -1.381 -0.823 -6.593 1.00 23.22 H new ATOM 0 HB3 GLU A 75 0.175 -0.855 -7.397 1.00 23.22 H new ATOM 0 HG2 GLU A 75 -1.207 0.492 -9.304 1.00 24.04 H new ATOM 0 HG3 GLU A 75 -2.210 0.916 -7.931 1.00 24.04 H new ATOM 1223 N GLN A 76 0.614 -2.903 -9.605 1.00 54.40 N ATOM 1224 CA GLN A 76 1.484 -3.177 -10.776 1.00 71.41 C ATOM 1225 C GLN A 76 0.700 -3.951 -11.851 1.00 33.45 C ATOM 1226 O GLN A 76 0.861 -3.706 -13.046 1.00 12.41 O ATOM 1227 CB GLN A 76 2.742 -3.969 -10.341 1.00 42.41 C ATOM 1228 CG GLN A 76 3.703 -4.382 -11.473 1.00 20.31 C ATOM 1229 CD GLN A 76 4.928 -5.179 -10.997 1.00 20.24 C ATOM 1230 OE1 GLN A 76 6.003 -5.097 -11.599 1.00 73.30 O ATOM 1231 NE2 GLN A 76 4.786 -5.967 -9.929 1.00 2.35 N ATOM 0 H GLN A 76 0.910 -3.370 -8.748 1.00 54.40 H new ATOM 0 HA GLN A 76 1.808 -2.227 -11.201 1.00 71.41 H new ATOM 0 HB2 GLN A 76 3.297 -3.366 -9.622 1.00 42.41 H new ATOM 0 HB3 GLN A 76 2.418 -4.869 -9.819 1.00 42.41 H new ATOM 0 HG2 GLN A 76 3.154 -4.980 -12.201 1.00 20.31 H new ATOM 0 HG3 GLN A 76 4.045 -3.485 -11.990 1.00 20.31 H new ATOM 0 HE21 GLN A 76 3.888 -6.018 -9.448 1.00 2.35 H new ATOM 0 HE22 GLN A 76 5.576 -6.518 -9.593 1.00 2.35 H new ATOM 1240 N LEU A 77 -0.175 -4.868 -11.399 1.00 35.52 N ATOM 1241 CA LEU A 77 -1.060 -5.633 -12.287 1.00 33.12 C ATOM 1242 C LEU A 77 -2.120 -4.706 -12.908 1.00 32.23 C ATOM 1243 O LEU A 77 -2.500 -4.896 -14.060 1.00 50.44 O ATOM 1244 CB LEU A 77 -1.721 -6.808 -11.518 1.00 2.11 C ATOM 1245 CG LEU A 77 -0.744 -7.903 -10.982 1.00 61.34 C ATOM 1246 CD1 LEU A 77 -1.490 -8.972 -10.161 1.00 3.51 C ATOM 1247 CD2 LEU A 77 0.071 -8.535 -12.128 1.00 42.31 C ATOM 0 H LEU A 77 -0.286 -5.097 -10.411 1.00 35.52 H new ATOM 0 HA LEU A 77 -0.466 -6.058 -13.096 1.00 33.12 H new ATOM 0 HB2 LEU A 77 -2.277 -6.399 -10.674 1.00 2.11 H new ATOM 0 HB3 LEU A 77 -2.447 -7.286 -12.176 1.00 2.11 H new ATOM 0 HG LEU A 77 -0.039 -7.414 -10.310 1.00 61.34 H new ATOM 0 HD11 LEU A 77 -0.780 -9.718 -9.804 1.00 3.51 H new ATOM 0 HD12 LEU A 77 -1.980 -8.500 -9.309 1.00 3.51 H new ATOM 0 HD13 LEU A 77 -2.239 -9.455 -10.788 1.00 3.51 H new ATOM 0 HD21 LEU A 77 0.741 -9.293 -11.723 1.00 42.31 H new ATOM 0 HD22 LEU A 77 -0.607 -8.997 -12.845 1.00 42.31 H new ATOM 0 HD23 LEU A 77 0.656 -7.763 -12.627 1.00 42.31 H new ATOM 1259 N LEU A 78 -2.580 -3.692 -12.126 1.00 73.12 N ATOM 1260 CA LEU A 78 -3.462 -2.616 -12.639 1.00 22.33 C ATOM 1261 C LEU A 78 -2.771 -1.823 -13.753 1.00 12.15 C ATOM 1262 O LEU A 78 -3.404 -1.449 -14.737 1.00 0.23 O ATOM 1263 CB LEU A 78 -3.899 -1.636 -11.506 1.00 61.12 C ATOM 1264 CG LEU A 78 -4.768 -2.249 -10.374 1.00 52.24 C ATOM 1265 CD1 LEU A 78 -5.256 -1.171 -9.388 1.00 11.03 C ATOM 1266 CD2 LEU A 78 -5.941 -3.032 -10.965 1.00 42.13 C ATOM 0 H LEU A 78 -2.352 -3.601 -11.136 1.00 73.12 H new ATOM 0 HA LEU A 78 -4.351 -3.104 -13.039 1.00 22.33 H new ATOM 0 HB2 LEU A 78 -3.003 -1.208 -11.057 1.00 61.12 H new ATOM 0 HB3 LEU A 78 -4.454 -0.814 -11.958 1.00 61.12 H new ATOM 0 HG LEU A 78 -4.144 -2.942 -9.809 1.00 52.24 H new ATOM 0 HD11 LEU A 78 -5.861 -1.637 -8.610 1.00 11.03 H new ATOM 0 HD12 LEU A 78 -4.397 -0.678 -8.933 1.00 11.03 H new ATOM 0 HD13 LEU A 78 -5.856 -0.434 -9.922 1.00 11.03 H new ATOM 0 HD21 LEU A 78 -6.540 -3.455 -10.158 1.00 42.13 H new ATOM 0 HD22 LEU A 78 -6.560 -2.364 -11.564 1.00 42.13 H new ATOM 0 HD23 LEU A 78 -5.561 -3.836 -11.595 1.00 42.13 H new ATOM 1278 N LYS A 79 -1.468 -1.562 -13.579 1.00 34.54 N ATOM 1279 CA LYS A 79 -0.666 -0.846 -14.578 1.00 24.50 C ATOM 1280 C LYS A 79 -0.561 -1.667 -15.862 1.00 54.43 C ATOM 1281 O LYS A 79 -0.800 -1.145 -16.939 1.00 74.02 O ATOM 1282 CB LYS A 79 0.733 -0.499 -14.010 1.00 20.53 C ATOM 1283 CG LYS A 79 0.695 0.490 -12.827 1.00 20.33 C ATOM 1284 CD LYS A 79 0.030 1.829 -13.213 1.00 72.23 C ATOM 1285 CE LYS A 79 0.018 2.838 -12.061 1.00 14.45 C ATOM 1286 NZ LYS A 79 -0.835 2.396 -10.926 1.00 54.03 N ATOM 0 H LYS A 79 -0.945 -1.839 -12.748 1.00 34.54 H new ATOM 0 HA LYS A 79 -1.164 0.093 -14.820 1.00 24.50 H new ATOM 0 HB2 LYS A 79 1.223 -1.418 -13.688 1.00 20.53 H new ATOM 0 HB3 LYS A 79 1.344 -0.075 -14.807 1.00 20.53 H new ATOM 0 HG2 LYS A 79 0.150 0.041 -11.997 1.00 20.33 H new ATOM 0 HG3 LYS A 79 1.711 0.677 -12.478 1.00 20.33 H new ATOM 0 HD2 LYS A 79 0.559 2.261 -14.063 1.00 72.23 H new ATOM 0 HD3 LYS A 79 -0.994 1.641 -13.537 1.00 72.23 H new ATOM 0 HE2 LYS A 79 1.037 2.992 -11.707 1.00 14.45 H new ATOM 0 HE3 LYS A 79 -0.341 3.800 -12.428 1.00 14.45 H new ATOM 0 HZ1 LYS A 79 -1.503 3.153 -10.679 1.00 54.03 H new ATOM 0 HZ2 LYS A 79 -1.364 1.544 -11.201 1.00 54.03 H new ATOM 0 HZ3 LYS A 79 -0.235 2.181 -10.104 1.00 54.03 H new ATOM 1300 N GLY A 80 -0.278 -2.971 -15.703 1.00 73.51 N ATOM 1301 CA GLY A 80 -0.128 -3.892 -16.827 1.00 65.01 C ATOM 1302 C GLY A 80 -1.444 -4.222 -17.537 1.00 54.12 C ATOM 1303 O GLY A 80 -1.443 -4.576 -18.723 1.00 74.15 O ATOM 0 H GLY A 80 -0.148 -3.409 -14.791 1.00 73.51 H new ATOM 0 HA2 GLY A 80 0.565 -3.459 -17.549 1.00 65.01 H new ATOM 0 HA3 GLY A 80 0.322 -4.818 -16.468 1.00 65.01 H new ATOM 1307 N LEU A 81 -2.566 -4.102 -16.805 1.00 52.10 N ATOM 1308 CA LEU A 81 -3.914 -4.423 -17.325 1.00 21.44 C ATOM 1309 C LEU A 81 -4.496 -3.192 -18.050 1.00 64.22 C ATOM 1310 O LEU A 81 -4.700 -3.210 -19.267 1.00 13.44 O ATOM 1311 CB LEU A 81 -4.824 -4.888 -16.129 1.00 1.00 C ATOM 1312 CG LEU A 81 -6.167 -5.653 -16.458 1.00 0.30 C ATOM 1313 CD1 LEU A 81 -6.683 -6.426 -15.220 1.00 12.30 C ATOM 1314 CD2 LEU A 81 -7.282 -4.712 -16.986 1.00 5.22 C ATOM 0 H LEU A 81 -2.567 -3.780 -15.837 1.00 52.10 H new ATOM 0 HA LEU A 81 -3.863 -5.236 -18.050 1.00 21.44 H new ATOM 0 HB2 LEU A 81 -4.224 -5.533 -15.487 1.00 1.00 H new ATOM 0 HB3 LEU A 81 -5.080 -4.005 -15.544 1.00 1.00 H new ATOM 0 HG LEU A 81 -5.926 -6.358 -17.254 1.00 0.30 H new ATOM 0 HD11 LEU A 81 -7.608 -6.943 -15.474 1.00 12.30 H new ATOM 0 HD12 LEU A 81 -5.934 -7.154 -14.907 1.00 12.30 H new ATOM 0 HD13 LEU A 81 -6.870 -5.726 -14.406 1.00 12.30 H new ATOM 0 HD21 LEU A 81 -8.180 -5.293 -17.195 1.00 5.22 H new ATOM 0 HD22 LEU A 81 -7.506 -3.956 -16.234 1.00 5.22 H new ATOM 0 HD23 LEU A 81 -6.944 -4.225 -17.901 1.00 5.22 H new ATOM 1326 N LEU A 82 -4.718 -2.122 -17.279 1.00 12.04 N ATOM 1327 CA LEU A 82 -5.489 -0.937 -17.714 1.00 3.13 C ATOM 1328 C LEU A 82 -4.744 -0.121 -18.793 1.00 25.30 C ATOM 1329 O LEU A 82 -5.325 0.222 -19.822 1.00 13.51 O ATOM 1330 CB LEU A 82 -5.790 -0.047 -16.480 1.00 44.43 C ATOM 1331 CG LEU A 82 -6.504 -0.758 -15.279 1.00 71.30 C ATOM 1332 CD1 LEU A 82 -6.419 0.097 -14.010 1.00 1.31 C ATOM 1333 CD2 LEU A 82 -7.969 -1.110 -15.602 1.00 3.14 C ATOM 0 H LEU A 82 -4.367 -2.047 -16.324 1.00 12.04 H new ATOM 0 HA LEU A 82 -6.420 -1.283 -18.164 1.00 3.13 H new ATOM 0 HB2 LEU A 82 -4.850 0.373 -16.121 1.00 44.43 H new ATOM 0 HB3 LEU A 82 -6.410 0.789 -16.802 1.00 44.43 H new ATOM 0 HG LEU A 82 -5.977 -1.696 -15.102 1.00 71.30 H new ATOM 0 HD11 LEU A 82 -6.921 -0.417 -13.191 1.00 1.31 H new ATOM 0 HD12 LEU A 82 -5.373 0.259 -13.750 1.00 1.31 H new ATOM 0 HD13 LEU A 82 -6.902 1.058 -14.186 1.00 1.31 H new ATOM 0 HD21 LEU A 82 -8.424 -1.601 -14.741 1.00 3.14 H new ATOM 0 HD22 LEU A 82 -8.520 -0.198 -15.833 1.00 3.14 H new ATOM 0 HD23 LEU A 82 -8.001 -1.780 -16.461 1.00 3.14 H new ATOM 1490 N LEU A 92 0.630 10.846 -7.811 1.00 71.20 N ATOM 1491 CA LEU A 92 0.902 11.106 -6.392 1.00 21.20 C ATOM 1492 C LEU A 92 1.434 12.537 -6.189 1.00 52.22 C ATOM 1493 O LEU A 92 0.681 13.446 -5.819 1.00 61.32 O ATOM 1494 CB LEU A 92 1.900 10.044 -5.861 1.00 52.15 C ATOM 1495 CG LEU A 92 1.384 8.578 -5.804 1.00 43.24 C ATOM 1496 CD1 LEU A 92 2.463 7.645 -5.235 1.00 3.24 C ATOM 1497 CD2 LEU A 92 0.081 8.482 -4.990 1.00 62.15 C ATOM 0 HA LEU A 92 -0.025 11.028 -5.824 1.00 21.20 H new ATOM 0 HB2 LEU A 92 2.791 10.068 -6.488 1.00 52.15 H new ATOM 0 HB3 LEU A 92 2.209 10.337 -4.857 1.00 52.15 H new ATOM 0 HG LEU A 92 1.162 8.256 -6.822 1.00 43.24 H new ATOM 0 HD11 LEU A 92 2.082 6.624 -5.204 1.00 3.24 H new ATOM 0 HD12 LEU A 92 3.348 7.682 -5.870 1.00 3.24 H new ATOM 0 HD13 LEU A 92 2.726 7.965 -4.227 1.00 3.24 H new ATOM 0 HD21 LEU A 92 -0.258 7.446 -4.966 1.00 62.15 H new ATOM 0 HD22 LEU A 92 0.261 8.828 -3.972 1.00 62.15 H new ATOM 0 HD23 LEU A 92 -0.685 9.104 -5.454 1.00 62.15 H new ATOM 1509 N ILE A 93 2.741 12.718 -6.435 1.00 74.22 N ATOM 1510 CA ILE A 93 3.400 14.035 -6.416 1.00 60.20 C ATOM 1511 C ILE A 93 3.326 14.633 -7.836 1.00 53.31 C ATOM 1512 O ILE A 93 3.065 15.825 -8.024 1.00 61.34 O ATOM 1513 CB ILE A 93 4.898 13.893 -5.937 1.00 15.22 C ATOM 1514 CG1 ILE A 93 4.950 13.184 -4.544 1.00 64.51 C ATOM 1515 CG2 ILE A 93 5.627 15.262 -5.898 1.00 53.44 C ATOM 1516 CD1 ILE A 93 6.342 12.899 -4.004 1.00 64.23 C ATOM 0 H ILE A 93 3.375 11.950 -6.654 1.00 74.22 H new ATOM 0 HA ILE A 93 2.895 14.699 -5.714 1.00 60.20 H new ATOM 0 HB ILE A 93 5.427 13.277 -6.664 1.00 15.22 H new ATOM 0 HG12 ILE A 93 4.419 13.803 -3.821 1.00 64.51 H new ATOM 0 HG13 ILE A 93 4.407 12.241 -4.616 1.00 64.51 H new ATOM 0 HG21 ILE A 93 6.654 15.118 -5.563 1.00 53.44 H new ATOM 0 HG22 ILE A 93 5.629 15.702 -6.895 1.00 53.44 H new ATOM 0 HG23 ILE A 93 5.111 15.930 -5.208 1.00 53.44 H new ATOM 0 HD11 ILE A 93 6.263 12.407 -3.035 1.00 64.23 H new ATOM 0 HD12 ILE A 93 6.876 12.250 -4.698 1.00 64.23 H new ATOM 0 HD13 ILE A 93 6.887 13.836 -3.891 1.00 64.23 H new ATOM 1528 N GLY A 94 3.529 13.745 -8.825 1.00 41.12 N ATOM 1529 CA GLY A 94 3.442 14.081 -10.243 1.00 60.22 C ATOM 1530 C GLY A 94 3.751 12.862 -11.089 1.00 30.23 C ATOM 1531 O GLY A 94 2.929 12.422 -11.906 1.00 75.33 O ATOM 0 H GLY A 94 3.760 12.767 -8.653 1.00 41.12 H new ATOM 0 HA2 GLY A 94 2.444 14.451 -10.476 1.00 60.22 H new ATOM 0 HA3 GLY A 94 4.142 14.883 -10.478 1.00 60.22 H new ATOM 1535 N GLN A 95 4.944 12.295 -10.852 1.00 54.04 N ATOM 1536 CA GLN A 95 5.409 11.064 -11.516 1.00 51.24 C ATOM 1537 C GLN A 95 4.815 9.815 -10.831 1.00 23.42 C ATOM 1538 O GLN A 95 4.149 9.913 -9.785 1.00 4.01 O ATOM 1539 CB GLN A 95 6.968 11.015 -11.501 1.00 30.42 C ATOM 1540 CG GLN A 95 7.597 10.911 -10.094 1.00 63.42 C ATOM 1541 CD GLN A 95 9.129 10.933 -10.090 1.00 62.11 C ATOM 1542 OE1 GLN A 95 9.760 11.539 -10.955 1.00 44.40 O ATOM 1543 NE2 GLN A 95 9.741 10.287 -9.109 1.00 40.32 N ATOM 0 H GLN A 95 5.619 12.679 -10.190 1.00 54.04 H new ATOM 0 HA GLN A 95 5.067 11.070 -12.551 1.00 51.24 H new ATOM 0 HB2 GLN A 95 7.297 10.162 -12.095 1.00 30.42 H new ATOM 0 HB3 GLN A 95 7.351 11.911 -11.990 1.00 30.42 H new ATOM 0 HG2 GLN A 95 7.231 11.736 -9.482 1.00 63.42 H new ATOM 0 HG3 GLN A 95 7.256 9.989 -9.623 1.00 63.42 H new ATOM 0 HE21 GLN A 95 9.194 9.792 -8.405 1.00 40.32 H new ATOM 0 HE22 GLN A 95 10.760 10.284 -9.058 1.00 40.32 H new ATOM 1552 N SER A 96 5.099 8.645 -11.421 1.00 22.55 N ATOM 1553 CA SER A 96 4.671 7.331 -10.911 1.00 65.11 C ATOM 1554 C SER A 96 5.658 6.815 -9.830 1.00 1.22 C ATOM 1555 O SER A 96 6.106 5.655 -9.862 1.00 61.32 O ATOM 1556 CB SER A 96 4.573 6.361 -12.112 1.00 22.33 C ATOM 1557 OG SER A 96 5.784 6.348 -12.866 1.00 51.41 O ATOM 0 H SER A 96 5.642 8.582 -12.282 1.00 22.55 H new ATOM 0 HA SER A 96 3.696 7.407 -10.430 1.00 65.11 H new ATOM 0 HB2 SER A 96 4.354 5.355 -11.753 1.00 22.33 H new ATOM 0 HB3 SER A 96 3.744 6.657 -12.755 1.00 22.33 H new ATOM 0 HG SER A 96 5.695 5.726 -13.618 1.00 51.41 H new ATOM 1563 N THR A 97 5.925 7.681 -8.829 1.00 10.35 N ATOM 1564 CA THR A 97 6.925 7.440 -7.766 1.00 64.32 C ATOM 1565 C THR A 97 6.523 6.285 -6.812 1.00 14.24 C ATOM 1566 O THR A 97 7.347 5.846 -6.021 1.00 43.14 O ATOM 1567 CB THR A 97 7.168 8.760 -6.945 1.00 22.31 C ATOM 1568 OG1 THR A 97 8.266 8.605 -6.029 1.00 31.11 O ATOM 1569 CG2 THR A 97 5.915 9.225 -6.172 1.00 11.52 C ATOM 0 H THR A 97 5.447 8.577 -8.735 1.00 10.35 H new ATOM 0 HA THR A 97 7.848 7.136 -8.260 1.00 64.32 H new ATOM 0 HB THR A 97 7.409 9.529 -7.679 1.00 22.31 H new ATOM 0 HG1 THR A 97 8.398 9.439 -5.532 1.00 31.11 H new ATOM 0 HG21 THR A 97 6.144 10.140 -5.625 1.00 11.52 H new ATOM 0 HG22 THR A 97 5.104 9.416 -6.875 1.00 11.52 H new ATOM 0 HG23 THR A 97 5.612 8.448 -5.470 1.00 11.52 H new ATOM 1577 N ARG A 98 5.267 5.803 -6.936 1.00 61.05 N ATOM 1578 CA ARG A 98 4.664 4.760 -6.078 1.00 32.43 C ATOM 1579 C ARG A 98 5.573 3.510 -5.980 1.00 33.35 C ATOM 1580 O ARG A 98 5.889 3.043 -4.871 1.00 12.30 O ATOM 1581 CB ARG A 98 3.252 4.391 -6.660 1.00 22.33 C ATOM 1582 CG ARG A 98 2.209 3.870 -5.637 1.00 62.23 C ATOM 1583 CD ARG A 98 2.509 2.472 -5.070 1.00 74.41 C ATOM 1584 NE ARG A 98 2.536 1.435 -6.110 1.00 41.41 N ATOM 1585 CZ ARG A 98 2.388 0.119 -5.889 1.00 71.01 C ATOM 1586 NH1 ARG A 98 2.183 -0.345 -4.662 1.00 4.20 N ATOM 1587 NH2 ARG A 98 2.425 -0.727 -6.909 1.00 64.23 N ATOM 0 H ARG A 98 4.627 6.138 -7.656 1.00 61.05 H new ATOM 0 HA ARG A 98 4.554 5.145 -5.064 1.00 32.43 H new ATOM 0 HB2 ARG A 98 2.841 5.274 -7.150 1.00 22.33 H new ATOM 0 HB3 ARG A 98 3.386 3.632 -7.431 1.00 22.33 H new ATOM 0 HG2 ARG A 98 2.147 4.577 -4.810 1.00 62.23 H new ATOM 0 HG3 ARG A 98 1.229 3.851 -6.115 1.00 62.23 H new ATOM 0 HD2 ARG A 98 3.470 2.491 -4.556 1.00 74.41 H new ATOM 0 HD3 ARG A 98 1.755 2.216 -4.326 1.00 74.41 H new ATOM 0 HE ARG A 98 2.678 1.738 -7.074 1.00 41.41 H new ATOM 0 HH11 ARG A 98 2.136 0.301 -3.874 1.00 4.20 H new ATOM 0 HH12 ARG A 98 2.072 -1.347 -4.508 1.00 4.20 H new ATOM 0 HH21 ARG A 98 2.565 -0.377 -7.857 1.00 64.23 H new ATOM 0 HH22 ARG A 98 2.313 -1.728 -6.746 1.00 64.23 H new ATOM 1601 N GLN A 99 6.006 3.016 -7.159 1.00 24.21 N ATOM 1602 CA GLN A 99 6.824 1.797 -7.292 1.00 11.10 C ATOM 1603 C GLN A 99 8.117 1.938 -6.473 1.00 52.22 C ATOM 1604 O GLN A 99 8.394 1.107 -5.606 1.00 54.21 O ATOM 1605 CB GLN A 99 7.120 1.522 -8.809 1.00 71.01 C ATOM 1606 CG GLN A 99 7.815 0.164 -9.144 1.00 61.42 C ATOM 1607 CD GLN A 99 9.345 0.125 -8.917 1.00 74.43 C ATOM 1608 OE1 GLN A 99 10.036 1.139 -9.039 1.00 4.35 O ATOM 1609 NE2 GLN A 99 9.878 -1.043 -8.587 1.00 62.21 N ATOM 0 H GLN A 99 5.794 3.459 -8.053 1.00 24.21 H new ATOM 0 HA GLN A 99 6.277 0.941 -6.897 1.00 11.10 H new ATOM 0 HB2 GLN A 99 6.178 1.568 -9.355 1.00 71.01 H new ATOM 0 HB3 GLN A 99 7.747 2.330 -9.187 1.00 71.01 H new ATOM 0 HG2 GLN A 99 7.356 -0.618 -8.540 1.00 61.42 H new ATOM 0 HG3 GLN A 99 7.614 -0.080 -10.187 1.00 61.42 H new ATOM 0 HE21 GLN A 99 9.283 -1.866 -8.493 1.00 62.21 H new ATOM 0 HE22 GLN A 99 10.883 -1.118 -8.427 1.00 62.21 H new ATOM 1618 N LYS A 100 8.850 3.037 -6.723 1.00 61.34 N ATOM 1619 CA LYS A 100 10.148 3.306 -6.093 1.00 43.13 C ATOM 1620 C LYS A 100 10.005 3.509 -4.582 1.00 41.03 C ATOM 1621 O LYS A 100 10.714 2.882 -3.815 1.00 72.31 O ATOM 1622 CB LYS A 100 10.815 4.544 -6.749 1.00 12.31 C ATOM 1623 CG LYS A 100 12.174 4.940 -6.123 1.00 13.22 C ATOM 1624 CD LYS A 100 12.885 6.077 -6.888 1.00 74.30 C ATOM 1625 CE LYS A 100 14.226 6.467 -6.239 1.00 11.02 C ATOM 1626 NZ LYS A 100 15.122 5.293 -6.052 1.00 65.50 N ATOM 0 H LYS A 100 8.554 3.766 -7.372 1.00 61.34 H new ATOM 0 HA LYS A 100 10.786 2.436 -6.250 1.00 43.13 H new ATOM 0 HB2 LYS A 100 10.961 4.344 -7.810 1.00 12.31 H new ATOM 0 HB3 LYS A 100 10.133 5.391 -6.675 1.00 12.31 H new ATOM 0 HG2 LYS A 100 12.015 5.249 -5.090 1.00 13.22 H new ATOM 0 HG3 LYS A 100 12.824 4.065 -6.097 1.00 13.22 H new ATOM 0 HD2 LYS A 100 13.059 5.766 -7.918 1.00 74.30 H new ATOM 0 HD3 LYS A 100 12.234 6.950 -6.925 1.00 74.30 H new ATOM 0 HE2 LYS A 100 14.727 7.209 -6.861 1.00 11.02 H new ATOM 0 HE3 LYS A 100 14.038 6.936 -5.273 1.00 11.02 H new ATOM 0 HZ1 LYS A 100 16.111 5.612 -6.025 1.00 65.50 H new ATOM 0 HZ2 LYS A 100 14.887 4.816 -5.158 1.00 65.50 H new ATOM 0 HZ3 LYS A 100 14.994 4.629 -6.842 1.00 65.50 H new ATOM 1640 N SER A 101 9.054 4.365 -4.178 1.00 11.20 N ATOM 1641 CA SER A 101 8.869 4.773 -2.779 1.00 71.21 C ATOM 1642 C SER A 101 8.560 3.565 -1.872 1.00 71.15 C ATOM 1643 O SER A 101 9.144 3.439 -0.792 1.00 22.45 O ATOM 1644 CB SER A 101 7.748 5.828 -2.687 1.00 12.32 C ATOM 1645 OG SER A 101 8.044 6.970 -3.480 1.00 1.55 O ATOM 0 H SER A 101 8.387 4.796 -4.819 1.00 11.20 H new ATOM 0 HA SER A 101 9.802 5.212 -2.425 1.00 71.21 H new ATOM 0 HB2 SER A 101 6.806 5.389 -3.015 1.00 12.32 H new ATOM 0 HB3 SER A 101 7.614 6.129 -1.648 1.00 12.32 H new ATOM 0 HG SER A 101 7.843 6.777 -4.419 1.00 1.55 H new ATOM 1651 N LEU A 102 7.667 2.666 -2.342 1.00 34.22 N ATOM 1652 CA LEU A 102 7.260 1.470 -1.572 1.00 71.21 C ATOM 1653 C LEU A 102 8.313 0.346 -1.637 1.00 54.13 C ATOM 1654 O LEU A 102 8.485 -0.384 -0.659 1.00 60.11 O ATOM 1655 CB LEU A 102 5.878 0.936 -2.039 1.00 61.15 C ATOM 1656 CG LEU A 102 4.619 1.658 -1.463 1.00 34.25 C ATOM 1657 CD1 LEU A 102 4.509 3.112 -1.943 1.00 40.04 C ATOM 1658 CD2 LEU A 102 3.341 0.854 -1.773 1.00 52.52 C ATOM 0 H LEU A 102 7.214 2.747 -3.252 1.00 34.22 H new ATOM 0 HA LEU A 102 7.178 1.788 -0.533 1.00 71.21 H new ATOM 0 HB2 LEU A 102 5.839 0.998 -3.127 1.00 61.15 H new ATOM 0 HB3 LEU A 102 5.815 -0.120 -1.777 1.00 61.15 H new ATOM 0 HG LEU A 102 4.735 1.703 -0.380 1.00 34.25 H new ATOM 0 HD11 LEU A 102 3.617 3.570 -1.515 1.00 40.04 H new ATOM 0 HD12 LEU A 102 5.391 3.668 -1.625 1.00 40.04 H new ATOM 0 HD13 LEU A 102 4.440 3.132 -3.031 1.00 40.04 H new ATOM 0 HD21 LEU A 102 2.475 1.374 -1.363 1.00 52.52 H new ATOM 0 HD22 LEU A 102 3.227 0.754 -2.852 1.00 52.52 H new ATOM 0 HD23 LEU A 102 3.416 -0.136 -1.323 1.00 52.52 H new ATOM 1670 N ASN A 103 8.991 0.187 -2.791 1.00 42.51 N ATOM 1671 CA ASN A 103 10.031 -0.857 -2.967 1.00 34.01 C ATOM 1672 C ASN A 103 11.278 -0.524 -2.116 1.00 13.25 C ATOM 1673 O ASN A 103 11.911 -1.415 -1.536 1.00 62.33 O ATOM 1674 CB ASN A 103 10.411 -0.996 -4.464 1.00 12.42 C ATOM 1675 CG ASN A 103 11.417 -2.116 -4.736 1.00 63.45 C ATOM 1676 OD1 ASN A 103 12.630 -1.894 -4.735 1.00 52.52 O ATOM 1677 ND2 ASN A 103 10.924 -3.324 -4.963 1.00 0.51 N ATOM 0 H ASN A 103 8.840 0.766 -3.617 1.00 42.51 H new ATOM 0 HA ASN A 103 9.628 -1.811 -2.626 1.00 34.01 H new ATOM 0 HB2 ASN A 103 9.507 -1.181 -5.045 1.00 12.42 H new ATOM 0 HB3 ASN A 103 10.827 -0.051 -4.814 1.00 12.42 H new ATOM 0 HD21 ASN A 103 11.553 -4.106 -5.144 1.00 0.51 H new ATOM 0 HD22 ASN A 103 9.915 -3.472 -4.956 1.00 0.51 H new ATOM 1684 N ASN A 104 11.605 0.778 -2.049 1.00 14.21 N ATOM 1685 CA ASN A 104 12.715 1.293 -1.234 1.00 61.13 C ATOM 1686 C ASN A 104 12.314 1.254 0.244 1.00 24.25 C ATOM 1687 O ASN A 104 13.145 0.960 1.092 1.00 43.31 O ATOM 1688 CB ASN A 104 13.119 2.735 -1.662 1.00 12.24 C ATOM 1689 CG ASN A 104 13.790 2.844 -3.051 1.00 1.10 C ATOM 1690 OD1 ASN A 104 14.615 3.733 -3.281 1.00 74.24 O ATOM 1691 ND2 ASN A 104 13.436 1.973 -3.999 1.00 25.42 N ATOM 0 H ASN A 104 11.104 1.504 -2.561 1.00 14.21 H new ATOM 0 HA ASN A 104 13.588 0.659 -1.390 1.00 61.13 H new ATOM 0 HB2 ASN A 104 12.227 3.362 -1.656 1.00 12.24 H new ATOM 0 HB3 ASN A 104 13.800 3.142 -0.914 1.00 12.24 H new ATOM 0 HD21 ASN A 104 13.849 2.036 -4.930 1.00 25.42 H new ATOM 0 HD22 ASN A 104 12.753 1.244 -3.793 1.00 25.42 H new ATOM 1698 N ALA A 105 11.017 1.536 0.529 1.00 73.53 N ATOM 1699 CA ALA A 105 10.444 1.409 1.885 1.00 2.13 C ATOM 1700 C ALA A 105 10.524 -0.044 2.380 1.00 11.20 C ATOM 1701 O ALA A 105 10.770 -0.294 3.565 1.00 12.43 O ATOM 1702 CB ALA A 105 8.984 1.908 1.920 1.00 53.22 C ATOM 0 H ALA A 105 10.348 1.855 -0.171 1.00 73.53 H new ATOM 0 HA ALA A 105 11.035 2.035 2.554 1.00 2.13 H new ATOM 0 HB1 ALA A 105 8.588 1.803 2.930 1.00 53.22 H new ATOM 0 HB2 ALA A 105 8.951 2.957 1.625 1.00 53.22 H new ATOM 0 HB3 ALA A 105 8.381 1.317 1.230 1.00 53.22 H new ATOM 1708 N TYR A 106 10.325 -0.993 1.447 1.00 52.12 N ATOM 1709 CA TYR A 106 10.432 -2.429 1.723 1.00 4.32 C ATOM 1710 C TYR A 106 11.902 -2.771 2.034 1.00 73.04 C ATOM 1711 O TYR A 106 12.176 -3.543 2.946 1.00 71.34 O ATOM 1712 CB TYR A 106 9.910 -3.254 0.507 1.00 73.42 C ATOM 1713 CG TYR A 106 9.461 -4.699 0.829 1.00 63.45 C ATOM 1714 CD1 TYR A 106 10.352 -5.665 1.319 1.00 70.25 C ATOM 1715 CD2 TYR A 106 8.140 -5.095 0.628 1.00 24.20 C ATOM 1716 CE1 TYR A 106 9.934 -6.954 1.595 1.00 70.13 C ATOM 1717 CE2 TYR A 106 7.727 -6.375 0.903 1.00 50.04 C ATOM 1718 CZ TYR A 106 8.619 -7.301 1.386 1.00 0.42 C ATOM 1719 OH TYR A 106 8.186 -8.581 1.658 1.00 40.35 O ATOM 0 H TYR A 106 10.085 -0.780 0.479 1.00 52.12 H new ATOM 0 HA TYR A 106 9.817 -2.686 2.586 1.00 4.32 H new ATOM 0 HB2 TYR A 106 9.070 -2.721 0.062 1.00 73.42 H new ATOM 0 HB3 TYR A 106 10.696 -3.295 -0.247 1.00 73.42 H new ATOM 0 HD1 TYR A 106 11.385 -5.397 1.484 1.00 70.25 H new ATOM 0 HD2 TYR A 106 7.426 -4.380 0.248 1.00 24.20 H new ATOM 0 HE1 TYR A 106 10.635 -7.684 1.972 1.00 70.13 H new ATOM 0 HE2 TYR A 106 6.697 -6.655 0.739 1.00 50.04 H new ATOM 0 HH TYR A 106 7.230 -8.653 1.455 1.00 40.35 H new ATOM 1729 N GLY A 107 12.829 -2.182 1.251 1.00 54.24 N ATOM 1730 CA GLY A 107 14.269 -2.366 1.446 1.00 2.22 C ATOM 1731 C GLY A 107 14.792 -1.751 2.751 1.00 52.02 C ATOM 1732 O GLY A 107 15.748 -2.264 3.348 1.00 2.04 O ATOM 0 H GLY A 107 12.594 -1.569 0.470 1.00 54.24 H new ATOM 0 HA2 GLY A 107 14.495 -3.432 1.439 1.00 2.22 H new ATOM 0 HA3 GLY A 107 14.801 -1.922 0.605 1.00 2.22 H new ATOM 1736 N ARG A 108 14.162 -0.647 3.187 1.00 22.12 N ATOM 1737 CA ARG A 108 14.485 0.032 4.455 1.00 54.30 C ATOM 1738 C ARG A 108 14.002 -0.820 5.633 1.00 0.23 C ATOM 1739 O ARG A 108 14.690 -0.930 6.653 1.00 62.13 O ATOM 1740 CB ARG A 108 13.809 1.427 4.509 1.00 1.23 C ATOM 1741 CG ARG A 108 14.369 2.467 3.522 1.00 61.44 C ATOM 1742 CD ARG A 108 13.491 3.729 3.443 1.00 13.42 C ATOM 1743 NE ARG A 108 13.311 4.380 4.762 1.00 75.25 N ATOM 1744 CZ ARG A 108 12.853 5.627 4.956 1.00 41.22 C ATOM 1745 NH1 ARG A 108 12.518 6.407 3.927 1.00 4.33 N ATOM 1746 NH2 ARG A 108 12.738 6.096 6.192 1.00 62.12 N ATOM 0 H ARG A 108 13.409 -0.197 2.666 1.00 22.12 H new ATOM 0 HA ARG A 108 15.565 0.163 4.518 1.00 54.30 H new ATOM 0 HB2 ARG A 108 12.743 1.304 4.316 1.00 1.23 H new ATOM 0 HB3 ARG A 108 13.906 1.821 5.521 1.00 1.23 H new ATOM 0 HG2 ARG A 108 15.378 2.747 3.826 1.00 61.44 H new ATOM 0 HG3 ARG A 108 14.448 2.019 2.531 1.00 61.44 H new ATOM 0 HD2 ARG A 108 13.943 4.439 2.750 1.00 13.42 H new ATOM 0 HD3 ARG A 108 12.515 3.464 3.036 1.00 13.42 H new ATOM 0 HE ARG A 108 13.555 3.836 5.590 1.00 75.25 H new ATOM 0 HH11 ARG A 108 12.608 6.059 2.973 1.00 4.33 H new ATOM 0 HH12 ARG A 108 12.172 7.352 4.095 1.00 4.33 H new ATOM 0 HH21 ARG A 108 12.997 5.510 6.986 1.00 62.12 H new ATOM 0 HH22 ARG A 108 12.391 7.042 6.348 1.00 62.12 H new ATOM 1760 N LEU A 109 12.788 -1.389 5.470 1.00 11.04 N ATOM 1761 CA LEU A 109 12.138 -2.234 6.484 1.00 71.15 C ATOM 1762 C LEU A 109 12.925 -3.535 6.665 1.00 65.34 C ATOM 1763 O LEU A 109 13.236 -3.930 7.786 1.00 12.53 O ATOM 1764 CB LEU A 109 10.662 -2.501 6.084 1.00 51.23 C ATOM 1765 CG LEU A 109 9.770 -3.263 7.122 1.00 4.24 C ATOM 1766 CD1 LEU A 109 9.727 -2.550 8.492 1.00 32.33 C ATOM 1767 CD2 LEU A 109 8.353 -3.457 6.569 1.00 53.23 C ATOM 0 H LEU A 109 12.231 -1.271 4.624 1.00 11.04 H new ATOM 0 HA LEU A 109 12.132 -1.716 7.443 1.00 71.15 H new ATOM 0 HB2 LEU A 109 10.190 -1.542 5.871 1.00 51.23 H new ATOM 0 HB3 LEU A 109 10.661 -3.070 5.154 1.00 51.23 H new ATOM 0 HG LEU A 109 10.225 -4.240 7.284 1.00 4.24 H new ATOM 0 HD11 LEU A 109 9.096 -3.116 9.177 1.00 32.33 H new ATOM 0 HD12 LEU A 109 10.736 -2.483 8.899 1.00 32.33 H new ATOM 0 HD13 LEU A 109 9.318 -1.547 8.368 1.00 32.33 H new ATOM 0 HD21 LEU A 109 7.746 -3.988 7.302 1.00 53.23 H new ATOM 0 HD22 LEU A 109 7.906 -2.484 6.364 1.00 53.23 H new ATOM 0 HD23 LEU A 109 8.398 -4.037 5.647 1.00 53.23 H new ATOM 1779 N SER A 110 13.280 -4.148 5.526 1.00 73.52 N ATOM 1780 CA SER A 110 14.077 -5.371 5.465 1.00 32.41 C ATOM 1781 C SER A 110 15.501 -5.113 5.981 1.00 55.42 C ATOM 1782 O SER A 110 16.088 -5.987 6.624 1.00 13.00 O ATOM 1783 CB SER A 110 14.112 -5.897 4.006 1.00 51.41 C ATOM 1784 OG SER A 110 14.809 -7.127 3.899 1.00 50.43 O ATOM 0 H SER A 110 13.013 -3.796 4.606 1.00 73.52 H new ATOM 0 HA SER A 110 13.619 -6.126 6.103 1.00 32.41 H new ATOM 0 HB2 SER A 110 13.092 -6.026 3.643 1.00 51.41 H new ATOM 0 HB3 SER A 110 14.587 -5.155 3.365 1.00 51.41 H new ATOM 0 HG SER A 110 14.807 -7.424 2.965 1.00 50.43 H new ATOM 1790 N GLY A 111 16.056 -3.905 5.695 1.00 20.12 N ATOM 1791 CA GLY A 111 17.430 -3.605 6.086 1.00 73.25 C ATOM 1792 C GLY A 111 17.559 -3.263 7.564 1.00 24.35 C ATOM 1793 O GLY A 111 18.161 -4.033 8.311 1.00 34.04 O ATOM 0 H GLY A 111 15.574 -3.150 5.207 1.00 20.12 H new ATOM 0 HA2 GLY A 111 18.063 -4.463 5.859 1.00 73.25 H new ATOM 0 HA3 GLY A 111 17.799 -2.770 5.490 1.00 73.25 H new ATOM 1797 N MET A 112 16.977 -2.132 8.012 1.00 10.41 N ATOM 1798 CA MET A 112 16.910 -1.801 9.454 1.00 31.13 C ATOM 1799 C MET A 112 15.536 -2.157 10.056 1.00 34.33 C ATOM 1800 O MET A 112 15.400 -3.177 10.730 1.00 52.30 O ATOM 1801 CB MET A 112 17.208 -0.280 9.643 1.00 1.15 C ATOM 1802 CG MET A 112 18.693 0.089 9.732 1.00 72.32 C ATOM 1803 SD MET A 112 19.414 -0.291 11.346 1.00 13.04 S ATOM 1804 CE MET A 112 18.486 0.816 12.416 1.00 55.11 C ATOM 0 H MET A 112 16.549 -1.435 7.402 1.00 10.41 H new ATOM 0 HA MET A 112 17.657 -2.394 9.981 1.00 31.13 H new ATOM 0 HB2 MET A 112 16.764 0.267 8.811 1.00 1.15 H new ATOM 0 HB3 MET A 112 16.710 0.061 10.551 1.00 1.15 H new ATOM 0 HG2 MET A 112 19.243 -0.447 8.958 1.00 72.32 H new ATOM 0 HG3 MET A 112 18.811 1.153 9.528 1.00 72.32 H new ATOM 0 HE1 MET A 112 19.079 1.049 13.300 1.00 55.11 H new ATOM 0 HE2 MET A 112 18.259 1.737 11.878 1.00 55.11 H new ATOM 0 HE3 MET A 112 17.556 0.334 12.719 1.00 55.11 H new ATOM 1814 N LEU A 113 14.511 -1.332 9.692 1.00 72.11 N ATOM 1815 CA LEU A 113 13.101 -1.439 10.153 1.00 62.13 C ATOM 1816 C LEU A 113 12.301 -0.191 9.684 1.00 31.11 C ATOM 1817 O LEU A 113 11.405 0.283 10.380 1.00 22.34 O ATOM 1818 CB LEU A 113 12.932 -1.688 11.718 1.00 44.13 C ATOM 1819 CG LEU A 113 13.933 -0.996 12.727 1.00 2.51 C ATOM 1820 CD1 LEU A 113 14.033 0.524 12.529 1.00 63.50 C ATOM 1821 CD2 LEU A 113 13.555 -1.342 14.182 1.00 75.55 C ATOM 0 H LEU A 113 14.652 -0.552 9.050 1.00 72.11 H new ATOM 0 HA LEU A 113 12.692 -2.337 9.690 1.00 62.13 H new ATOM 0 HB2 LEU A 113 11.924 -1.376 11.992 1.00 44.13 H new ATOM 0 HB3 LEU A 113 12.990 -2.763 11.886 1.00 44.13 H new ATOM 0 HG LEU A 113 14.924 -1.395 12.512 1.00 2.51 H new ATOM 0 HD11 LEU A 113 14.735 0.940 13.251 1.00 63.50 H new ATOM 0 HD12 LEU A 113 14.383 0.737 11.519 1.00 63.50 H new ATOM 0 HD13 LEU A 113 13.052 0.975 12.676 1.00 63.50 H new ATOM 0 HD21 LEU A 113 14.254 -0.858 14.864 1.00 75.55 H new ATOM 0 HD22 LEU A 113 12.544 -0.991 14.389 1.00 75.55 H new ATOM 0 HD23 LEU A 113 13.600 -2.422 14.323 1.00 75.55 H new ATOM 1833 N LEU A 114 12.676 0.340 8.488 1.00 23.42 N ATOM 1834 CA LEU A 114 11.929 1.393 7.742 1.00 44.03 C ATOM 1835 C LEU A 114 12.088 2.815 8.334 1.00 40.23 C ATOM 1836 O LEU A 114 11.755 3.807 7.670 1.00 73.21 O ATOM 1837 CB LEU A 114 10.434 0.966 7.555 1.00 13.11 C ATOM 1838 CG LEU A 114 9.483 1.862 6.685 1.00 35.51 C ATOM 1839 CD1 LEU A 114 10.144 2.323 5.379 1.00 71.00 C ATOM 1840 CD2 LEU A 114 8.158 1.117 6.403 1.00 53.44 C ATOM 0 H LEU A 114 13.524 0.042 8.005 1.00 23.42 H new ATOM 0 HA LEU A 114 12.383 1.471 6.754 1.00 44.03 H new ATOM 0 HB2 LEU A 114 10.431 -0.034 7.121 1.00 13.11 H new ATOM 0 HB3 LEU A 114 9.990 0.884 8.547 1.00 13.11 H new ATOM 0 HG LEU A 114 9.268 2.763 7.259 1.00 35.51 H new ATOM 0 HD11 LEU A 114 9.444 2.939 4.815 1.00 71.00 H new ATOM 0 HD12 LEU A 114 11.036 2.905 5.609 1.00 71.00 H new ATOM 0 HD13 LEU A 114 10.422 1.452 4.785 1.00 71.00 H new ATOM 0 HD21 LEU A 114 7.507 1.749 5.799 1.00 53.44 H new ATOM 0 HD22 LEU A 114 8.368 0.193 5.865 1.00 53.44 H new ATOM 0 HD23 LEU A 114 7.664 0.884 7.346 1.00 53.44 H new