USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 639 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 60 TYR OH : rot 20:sc= 0.144 USER MOD Set 1.2: A 64 ASN : amide:sc= 0.451 K(o=0.59,f=-1.4!) USER MOD Set 2.1: A 45 SER OG : rot -124:sc= 0.276 USER MOD Set 2.2: A 51 THR OG1 : rot 170:sc= -0.0465 USER MOD Set 3.1: A 26 GLN : amide:sc= 0.882 K(o=1.5,f=0.95) USER MOD Set 3.2: A 30 TYR OH : rot 30:sc= 0.661 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.0855) USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 156:sc= -0.176 (180deg=-1.15) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 150:sc= -0.459 (180deg=-3.68!) USER MOD Single : A 20 THR OG1 : rot -68:sc= 1.09 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 40 HIS : no HE2:sc= -0.424 K(o=-0.42,f=-3.5) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= -0.186 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 165:sc= 0.563 USER MOD Single : A 59 ASN :FLIP amide:sc= 1.31 F(o=0.5,f=1.3) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS :FLIP no HD1:sc= -0.225 F(o=-0.73,f=-0.23) USER MOD Single : A 74 HIS : no HE2:sc= -0.955 K(o=-0.95,f=-3.4!) USER MOD Single : A 75 HIS : no HD1:sc= -1.25 X(o=-1.3,f=-0.77) USER MOD Single : A 76 HIS : no HD1:sc= -0.0319 X(o=-0.032,f=-0.41) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 HIS : no HE2:sc= 0.182 K(o=0.18,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.182 -4.186 1.347 1.00 24.13 N ATOM 2 CA MET A 1 6.036 -4.774 2.414 1.00 44.14 C ATOM 3 C MET A 1 5.930 -3.962 3.713 1.00 24.44 C ATOM 4 O MET A 1 6.520 -2.890 3.833 1.00 11.04 O ATOM 5 CB MET A 1 7.504 -4.835 1.963 1.00 21.12 C ATOM 6 CG MET A 1 7.715 -5.575 0.651 1.00 23.30 C ATOM 7 SD MET A 1 7.007 -7.231 0.666 1.00 42.02 S ATOM 8 CE MET A 1 7.364 -7.760 -1.010 1.00 2.24 C ATOM 0 H1 MET A 1 5.164 -4.824 0.526 1.00 24.13 H new ATOM 0 H2 MET A 1 4.215 -4.058 1.707 1.00 24.13 H new ATOM 0 H3 MET A 1 5.569 -3.264 1.061 1.00 24.13 H new ATOM 0 HA MET A 1 5.679 -5.786 2.603 1.00 44.14 H new ATOM 0 HB2 MET A 1 7.885 -3.819 1.861 1.00 21.12 H new ATOM 0 HB3 MET A 1 8.093 -5.320 2.741 1.00 21.12 H new ATOM 0 HG2 MET A 1 7.269 -5.001 -0.161 1.00 23.30 H new ATOM 0 HG3 MET A 1 8.783 -5.643 0.444 1.00 23.30 H new ATOM 0 HE1 MET A 1 6.987 -8.772 -1.160 1.00 2.24 H new ATOM 0 HE2 MET A 1 6.881 -7.084 -1.716 1.00 2.24 H new ATOM 0 HE3 MET A 1 8.441 -7.746 -1.174 1.00 2.24 H new ATOM 20 N ALA A 2 5.162 -4.471 4.675 1.00 1.01 N ATOM 21 CA ALA A 2 5.013 -3.817 5.980 1.00 1.21 C ATOM 22 C ALA A 2 6.204 -4.138 6.897 1.00 14.14 C ATOM 23 O ALA A 2 6.861 -3.237 7.423 1.00 65.22 O ATOM 24 CB ALA A 2 3.699 -4.238 6.636 1.00 1.13 C ATOM 0 H ALA A 2 4.631 -5.336 4.578 1.00 1.01 H new ATOM 0 HA ALA A 2 4.994 -2.739 5.822 1.00 1.21 H new ATOM 0 HB1 ALA A 2 3.601 -3.746 7.603 1.00 1.13 H new ATOM 0 HB2 ALA A 2 2.865 -3.950 5.996 1.00 1.13 H new ATOM 0 HB3 ALA A 2 3.693 -5.319 6.777 1.00 1.13 H new ATOM 30 N GLN A 3 6.474 -5.431 7.075 1.00 23.13 N ATOM 31 CA GLN A 3 7.613 -5.893 7.878 1.00 62.42 C ATOM 32 C GLN A 3 7.888 -7.384 7.629 1.00 60.45 C ATOM 33 O GLN A 3 6.963 -8.201 7.596 1.00 60.21 O ATOM 34 CB GLN A 3 7.358 -5.661 9.376 1.00 72.14 C ATOM 35 CG GLN A 3 8.539 -6.054 10.262 1.00 50.33 C ATOM 36 CD GLN A 3 8.246 -5.924 11.746 1.00 73.11 C ATOM 37 OE1 GLN A 3 7.113 -6.085 12.190 1.00 61.20 O ATOM 38 NE2 GLN A 3 9.267 -5.639 12.525 1.00 33.02 N ATOM 0 H GLN A 3 5.917 -6.184 6.672 1.00 23.13 H new ATOM 0 HA GLN A 3 8.486 -5.315 7.574 1.00 62.42 H new ATOM 0 HB2 GLN A 3 7.126 -4.608 9.538 1.00 72.14 H new ATOM 0 HB3 GLN A 3 6.480 -6.231 9.680 1.00 72.14 H new ATOM 0 HG2 GLN A 3 8.821 -7.084 10.043 1.00 50.33 H new ATOM 0 HG3 GLN A 3 9.396 -5.429 10.012 1.00 50.33 H new ATOM 0 HE21 GLN A 3 10.196 -5.512 12.123 1.00 33.02 H new ATOM 0 HE22 GLN A 3 9.130 -5.545 13.531 1.00 33.02 H new ATOM 47 N ILE A 4 9.160 -7.735 7.462 1.00 62.31 N ATOM 48 CA ILE A 4 9.551 -9.126 7.228 1.00 5.04 C ATOM 49 C ILE A 4 9.403 -9.966 8.509 1.00 41.03 C ATOM 50 O ILE A 4 10.322 -10.051 9.328 1.00 43.31 O ATOM 51 CB ILE A 4 11.009 -9.227 6.707 1.00 34.42 C ATOM 52 CG1 ILE A 4 11.209 -8.333 5.468 1.00 24.01 C ATOM 53 CG2 ILE A 4 11.362 -10.678 6.380 1.00 60.15 C ATOM 54 CD1 ILE A 4 10.335 -8.710 4.286 1.00 45.05 C ATOM 0 H ILE A 4 9.939 -7.077 7.484 1.00 62.31 H new ATOM 0 HA ILE A 4 8.881 -9.521 6.465 1.00 5.04 H new ATOM 0 HB ILE A 4 11.677 -8.876 7.494 1.00 34.42 H new ATOM 0 HG12 ILE A 4 11.004 -7.298 5.743 1.00 24.01 H new ATOM 0 HG13 ILE A 4 12.254 -8.381 5.163 1.00 24.01 H new ATOM 0 HG21 ILE A 4 12.388 -10.730 6.016 1.00 60.15 H new ATOM 0 HG22 ILE A 4 11.265 -11.288 7.278 1.00 60.15 H new ATOM 0 HG23 ILE A 4 10.685 -11.053 5.612 1.00 60.15 H new ATOM 0 HD11 ILE A 4 10.535 -8.034 3.455 1.00 45.05 H new ATOM 0 HD12 ILE A 4 10.555 -9.733 3.982 1.00 45.05 H new ATOM 0 HD13 ILE A 4 9.286 -8.634 4.571 1.00 45.05 H new ATOM 66 N ILE A 5 8.224 -10.552 8.690 1.00 73.13 N ATOM 67 CA ILE A 5 7.950 -11.418 9.840 1.00 43.20 C ATOM 68 C ILE A 5 8.132 -12.898 9.463 1.00 44.03 C ATOM 69 O ILE A 5 7.755 -13.321 8.368 1.00 63.40 O ATOM 70 CB ILE A 5 6.512 -11.191 10.379 1.00 3.34 C ATOM 71 CG1 ILE A 5 6.311 -9.711 10.758 1.00 74.22 C ATOM 72 CG2 ILE A 5 6.226 -12.102 11.577 1.00 51.31 C ATOM 73 CD1 ILE A 5 4.913 -9.383 11.247 1.00 71.23 C ATOM 0 H ILE A 5 7.435 -10.444 8.052 1.00 73.13 H new ATOM 0 HA ILE A 5 8.663 -11.160 10.623 1.00 43.20 H new ATOM 0 HB ILE A 5 5.805 -11.446 9.589 1.00 3.34 H new ATOM 0 HG12 ILE A 5 7.028 -9.445 11.535 1.00 74.22 H new ATOM 0 HG13 ILE A 5 6.536 -9.091 9.890 1.00 74.22 H new ATOM 0 HG21 ILE A 5 5.212 -11.924 11.936 1.00 51.31 H new ATOM 0 HG22 ILE A 5 6.325 -13.144 11.273 1.00 51.31 H new ATOM 0 HG23 ILE A 5 6.937 -11.887 12.375 1.00 51.31 H new ATOM 0 HD11 ILE A 5 4.853 -8.323 11.493 1.00 71.23 H new ATOM 0 HD12 ILE A 5 4.190 -9.615 10.465 1.00 71.23 H new ATOM 0 HD13 ILE A 5 4.690 -9.975 12.135 1.00 71.23 H new ATOM 85 N PHE A 6 8.723 -13.674 10.366 1.00 43.21 N ATOM 86 CA PHE A 6 9.000 -15.095 10.113 1.00 24.32 C ATOM 87 C PHE A 6 8.107 -16.013 10.963 1.00 71.55 C ATOM 88 O PHE A 6 7.805 -15.710 12.119 1.00 24.21 O ATOM 89 CB PHE A 6 10.474 -15.401 10.412 1.00 23.10 C ATOM 90 CG PHE A 6 11.448 -14.584 9.599 1.00 40.45 C ATOM 91 CD1 PHE A 6 11.807 -14.979 8.319 1.00 51.21 C ATOM 92 CD2 PHE A 6 12.007 -13.424 10.117 1.00 51.13 C ATOM 93 CE1 PHE A 6 12.703 -14.237 7.574 1.00 54.25 C ATOM 94 CE2 PHE A 6 12.904 -12.680 9.376 1.00 11.01 C ATOM 95 CZ PHE A 6 13.253 -13.087 8.104 1.00 34.05 C ATOM 0 H PHE A 6 9.023 -13.347 11.284 1.00 43.21 H new ATOM 0 HA PHE A 6 8.782 -15.289 9.063 1.00 24.32 H new ATOM 0 HB2 PHE A 6 10.663 -15.225 11.471 1.00 23.10 H new ATOM 0 HB3 PHE A 6 10.660 -16.459 10.227 1.00 23.10 H new ATOM 0 HD1 PHE A 6 11.381 -15.878 7.899 1.00 51.21 H new ATOM 0 HD2 PHE A 6 11.737 -13.099 11.111 1.00 51.13 H new ATOM 0 HE1 PHE A 6 12.973 -14.556 6.578 1.00 54.25 H new ATOM 0 HE2 PHE A 6 13.332 -11.780 9.792 1.00 11.01 H new ATOM 0 HZ PHE A 6 13.955 -12.507 7.524 1.00 34.05 H new ATOM 105 N ASN A 7 7.692 -17.141 10.387 1.00 30.51 N ATOM 106 CA ASN A 7 6.934 -18.148 11.133 1.00 63.45 C ATOM 107 C ASN A 7 7.867 -18.937 12.063 1.00 15.34 C ATOM 108 O ASN A 7 8.503 -19.905 11.648 1.00 23.23 O ATOM 109 CB ASN A 7 6.216 -19.108 10.178 1.00 50.22 C ATOM 110 CG ASN A 7 5.242 -18.394 9.259 1.00 25.04 C ATOM 111 OD1 ASN A 7 5.586 -18.003 8.149 1.00 71.44 O ATOM 112 ND2 ASN A 7 4.022 -18.210 9.715 1.00 22.44 N ATOM 0 H ASN A 7 7.866 -17.381 9.411 1.00 30.51 H new ATOM 0 HA ASN A 7 6.185 -17.632 11.734 1.00 63.45 H new ATOM 0 HB2 ASN A 7 6.955 -19.638 9.577 1.00 50.22 H new ATOM 0 HB3 ASN A 7 5.679 -19.859 10.758 1.00 50.22 H new ATOM 0 HD21 ASN A 7 3.330 -17.729 9.140 1.00 22.44 H new ATOM 0 HD22 ASN A 7 3.768 -18.548 10.643 1.00 22.44 H new ATOM 119 N GLU A 8 7.969 -18.500 13.315 1.00 31.05 N ATOM 120 CA GLU A 8 8.844 -19.158 14.294 1.00 61.43 C ATOM 121 C GLU A 8 8.090 -20.200 15.139 1.00 64.12 C ATOM 122 O GLU A 8 8.481 -20.507 16.268 1.00 54.20 O ATOM 123 CB GLU A 8 9.514 -18.109 15.193 1.00 31.45 C ATOM 124 CG GLU A 8 8.541 -17.188 15.919 1.00 22.42 C ATOM 125 CD GLU A 8 9.257 -16.147 16.761 1.00 11.12 C ATOM 126 OE1 GLU A 8 9.700 -15.122 16.198 1.00 12.21 O ATOM 127 OE2 GLU A 8 9.402 -16.358 17.985 1.00 53.13 O ATOM 0 H GLU A 8 7.460 -17.695 13.680 1.00 31.05 H new ATOM 0 HA GLU A 8 9.613 -19.696 13.740 1.00 61.43 H new ATOM 0 HB2 GLU A 8 10.130 -18.622 15.932 1.00 31.45 H new ATOM 0 HB3 GLU A 8 10.185 -17.502 14.585 1.00 31.45 H new ATOM 0 HG2 GLU A 8 7.904 -16.688 15.190 1.00 22.42 H new ATOM 0 HG3 GLU A 8 7.888 -17.783 16.558 1.00 22.42 H new ATOM 134 N GLU A 9 7.032 -20.776 14.570 1.00 1.43 N ATOM 135 CA GLU A 9 6.288 -21.858 15.228 1.00 61.43 C ATOM 136 C GLU A 9 7.025 -23.203 15.106 1.00 34.33 C ATOM 137 O GLU A 9 6.476 -24.192 14.613 1.00 74.14 O ATOM 138 CB GLU A 9 4.870 -21.965 14.645 1.00 3.41 C ATOM 139 CG GLU A 9 3.910 -20.897 15.157 1.00 42.13 C ATOM 140 CD GLU A 9 3.645 -21.027 16.653 1.00 3.12 C ATOM 141 OE1 GLU A 9 2.772 -21.835 17.040 1.00 62.32 O ATOM 142 OE2 GLU A 9 4.312 -20.335 17.446 1.00 61.52 O ATOM 0 H GLU A 9 6.668 -20.514 13.654 1.00 1.43 H new ATOM 0 HA GLU A 9 6.214 -21.616 16.288 1.00 61.43 H new ATOM 0 HB2 GLU A 9 4.928 -21.897 13.559 1.00 3.41 H new ATOM 0 HB3 GLU A 9 4.464 -22.948 14.881 1.00 3.41 H new ATOM 0 HG2 GLU A 9 4.323 -19.910 14.948 1.00 42.13 H new ATOM 0 HG3 GLU A 9 2.967 -20.970 14.615 1.00 42.13 H new ATOM 149 N TRP A 10 8.280 -23.217 15.549 1.00 34.23 N ATOM 150 CA TRP A 10 9.086 -24.439 15.605 1.00 4.22 C ATOM 151 C TRP A 10 8.893 -25.130 16.958 1.00 50.32 C ATOM 152 O TRP A 10 9.037 -24.500 18.009 1.00 13.51 O ATOM 153 CB TRP A 10 10.572 -24.107 15.401 1.00 3.34 C ATOM 154 CG TRP A 10 10.868 -23.444 14.085 1.00 14.05 C ATOM 155 CD1 TRP A 10 10.737 -22.119 13.790 1.00 70.33 C ATOM 156 CD2 TRP A 10 11.355 -24.073 12.894 1.00 21.23 C ATOM 157 NE1 TRP A 10 11.107 -21.886 12.489 1.00 3.34 N ATOM 158 CE2 TRP A 10 11.493 -23.069 11.919 1.00 53.11 C ATOM 159 CE3 TRP A 10 11.688 -25.390 12.559 1.00 55.45 C ATOM 160 CZ2 TRP A 10 11.949 -23.340 10.630 1.00 74.32 C ATOM 161 CZ3 TRP A 10 12.140 -25.658 11.281 1.00 13.24 C ATOM 162 CH2 TRP A 10 12.267 -24.638 10.330 1.00 3.23 C ATOM 0 H TRP A 10 8.768 -22.384 15.879 1.00 34.23 H new ATOM 0 HA TRP A 10 8.761 -25.109 14.809 1.00 4.22 H new ATOM 0 HB2 TRP A 10 10.904 -23.455 16.209 1.00 3.34 H new ATOM 0 HB3 TRP A 10 11.154 -25.026 15.474 1.00 3.34 H new ATOM 0 HD1 TRP A 10 10.392 -21.363 14.480 1.00 70.33 H new ATOM 0 HE1 TRP A 10 11.096 -20.979 12.023 1.00 3.34 H new ATOM 0 HE3 TRP A 10 11.593 -26.183 13.286 1.00 55.45 H new ATOM 0 HZ2 TRP A 10 12.048 -22.555 9.895 1.00 74.32 H new ATOM 0 HZ3 TRP A 10 12.400 -26.671 11.011 1.00 13.24 H new ATOM 0 HH2 TRP A 10 12.623 -24.880 9.339 1.00 3.23 H new ATOM 173 N MET A 11 8.563 -26.417 16.935 1.00 32.31 N ATOM 174 CA MET A 11 8.297 -27.163 18.169 1.00 44.44 C ATOM 175 C MET A 11 8.694 -28.641 18.038 1.00 10.32 C ATOM 176 O MET A 11 8.639 -29.216 16.951 1.00 44.51 O ATOM 177 CB MET A 11 6.814 -27.027 18.536 1.00 53.04 C ATOM 178 CG MET A 11 5.864 -27.460 17.426 1.00 13.24 C ATOM 179 SD MET A 11 4.153 -26.981 17.744 1.00 13.03 S ATOM 180 CE MET A 11 4.288 -25.193 17.694 1.00 34.31 C ATOM 0 H MET A 11 8.472 -26.967 16.081 1.00 32.31 H new ATOM 0 HA MET A 11 8.908 -26.740 18.966 1.00 44.44 H new ATOM 0 HB2 MET A 11 6.613 -27.623 19.426 1.00 53.04 H new ATOM 0 HB3 MET A 11 6.607 -25.988 18.794 1.00 53.04 H new ATOM 0 HG2 MET A 11 6.190 -27.021 16.483 1.00 13.24 H new ATOM 0 HG3 MET A 11 5.918 -28.542 17.309 1.00 13.24 H new ATOM 0 HE1 MET A 11 3.318 -24.762 17.447 1.00 34.31 H new ATOM 0 HE2 MET A 11 4.611 -24.825 18.668 1.00 34.31 H new ATOM 0 HE3 MET A 11 5.017 -24.904 16.937 1.00 34.31 H new ATOM 190 N VAL A 12 9.103 -29.241 19.154 1.00 3.03 N ATOM 191 CA VAL A 12 9.527 -30.649 19.176 1.00 63.12 C ATOM 192 C VAL A 12 8.342 -31.619 18.987 1.00 44.12 C ATOM 193 O VAL A 12 7.187 -31.201 18.920 1.00 34.13 O ATOM 194 CB VAL A 12 10.263 -30.990 20.496 1.00 64.13 C ATOM 195 CG1 VAL A 12 11.504 -30.114 20.666 1.00 62.34 C ATOM 196 CG2 VAL A 12 9.329 -30.846 21.696 1.00 43.22 C ATOM 0 H VAL A 12 9.152 -28.776 20.061 1.00 3.03 H new ATOM 0 HA VAL A 12 10.210 -30.777 18.336 1.00 63.12 H new ATOM 0 HB VAL A 12 10.585 -32.030 20.443 1.00 64.13 H new ATOM 0 HG11 VAL A 12 12.005 -30.370 21.599 1.00 62.34 H new ATOM 0 HG12 VAL A 12 12.184 -30.281 19.831 1.00 62.34 H new ATOM 0 HG13 VAL A 12 11.209 -29.065 20.689 1.00 62.34 H new ATOM 0 HG21 VAL A 12 9.870 -31.091 22.610 1.00 43.22 H new ATOM 0 HG22 VAL A 12 8.966 -29.820 21.753 1.00 43.22 H new ATOM 0 HG23 VAL A 12 8.483 -31.524 21.582 1.00 43.22 H new ATOM 206 N GLU A 13 8.644 -32.917 18.916 1.00 14.23 N ATOM 207 CA GLU A 13 7.631 -33.952 18.650 1.00 45.55 C ATOM 208 C GLU A 13 6.459 -33.904 19.652 1.00 10.23 C ATOM 209 O GLU A 13 5.294 -33.760 19.261 1.00 22.31 O ATOM 210 CB GLU A 13 8.289 -35.337 18.690 1.00 32.33 C ATOM 211 CG GLU A 13 7.349 -36.486 18.331 1.00 14.02 C ATOM 212 CD GLU A 13 8.023 -37.846 18.437 1.00 5.34 C ATOM 213 OE1 GLU A 13 8.932 -38.130 17.630 1.00 15.32 O ATOM 214 OE2 GLU A 13 7.650 -38.639 19.323 1.00 65.04 O ATOM 0 H GLU A 13 9.588 -33.283 19.039 1.00 14.23 H new ATOM 0 HA GLU A 13 7.218 -33.757 17.660 1.00 45.55 H new ATOM 0 HB2 GLU A 13 9.135 -35.345 18.002 1.00 32.33 H new ATOM 0 HB3 GLU A 13 8.689 -35.508 19.689 1.00 32.33 H new ATOM 0 HG2 GLU A 13 6.482 -36.461 18.991 1.00 14.02 H new ATOM 0 HG3 GLU A 13 6.980 -36.345 17.315 1.00 14.02 H new ATOM 221 N LYS A 14 6.775 -34.028 20.940 1.00 51.33 N ATOM 222 CA LYS A 14 5.755 -34.053 21.996 1.00 33.53 C ATOM 223 C LYS A 14 4.980 -32.724 22.074 1.00 33.11 C ATOM 224 O LYS A 14 3.785 -32.709 22.361 1.00 4.43 O ATOM 225 CB LYS A 14 6.410 -34.402 23.346 1.00 72.33 C ATOM 226 CG LYS A 14 5.435 -34.492 24.529 1.00 10.14 C ATOM 227 CD LYS A 14 5.409 -33.208 25.357 1.00 54.23 C ATOM 228 CE LYS A 14 6.751 -32.953 26.036 1.00 20.14 C ATOM 229 NZ LYS A 14 6.749 -31.696 26.828 1.00 3.33 N ATOM 0 H LYS A 14 7.732 -34.113 21.282 1.00 51.33 H new ATOM 0 HA LYS A 14 5.026 -34.825 21.750 1.00 33.53 H new ATOM 0 HB2 LYS A 14 6.928 -35.356 23.247 1.00 72.33 H new ATOM 0 HB3 LYS A 14 7.166 -33.650 23.572 1.00 72.33 H new ATOM 0 HG2 LYS A 14 4.433 -34.702 24.156 1.00 10.14 H new ATOM 0 HG3 LYS A 14 5.719 -35.328 25.168 1.00 10.14 H new ATOM 0 HD2 LYS A 14 5.159 -32.364 24.714 1.00 54.23 H new ATOM 0 HD3 LYS A 14 4.625 -33.276 26.112 1.00 54.23 H new ATOM 0 HE2 LYS A 14 6.991 -33.792 26.689 1.00 20.14 H new ATOM 0 HE3 LYS A 14 7.535 -32.903 25.280 1.00 20.14 H new ATOM 0 HZ1 LYS A 14 7.680 -31.563 27.271 1.00 3.33 H new ATOM 0 HZ2 LYS A 14 6.546 -30.891 26.201 1.00 3.33 H new ATOM 0 HZ3 LYS A 14 6.019 -31.752 27.567 1.00 3.33 H new ATOM 243 N ALA A 15 5.657 -31.611 21.806 1.00 4.21 N ATOM 244 CA ALA A 15 4.994 -30.302 21.780 1.00 75.04 C ATOM 245 C ALA A 15 4.044 -30.184 20.571 1.00 51.03 C ATOM 246 O ALA A 15 2.915 -29.697 20.691 1.00 22.12 O ATOM 247 CB ALA A 15 6.032 -29.184 21.757 1.00 13.13 C ATOM 0 H ALA A 15 6.657 -31.584 21.605 1.00 4.21 H new ATOM 0 HA ALA A 15 4.396 -30.206 22.686 1.00 75.04 H new ATOM 0 HB1 ALA A 15 5.526 -28.219 21.738 1.00 13.13 H new ATOM 0 HB2 ALA A 15 6.657 -29.249 22.648 1.00 13.13 H new ATOM 0 HB3 ALA A 15 6.656 -29.285 20.869 1.00 13.13 H new ATOM 253 N LEU A 16 4.509 -30.660 19.416 1.00 42.35 N ATOM 254 CA LEU A 16 3.750 -30.580 18.164 1.00 22.01 C ATOM 255 C LEU A 16 2.408 -31.321 18.272 1.00 54.10 C ATOM 256 O LEU A 16 1.365 -30.784 17.896 1.00 32.10 O ATOM 257 CB LEU A 16 4.605 -31.144 17.009 1.00 64.11 C ATOM 258 CG LEU A 16 4.063 -30.940 15.575 1.00 41.12 C ATOM 259 CD1 LEU A 16 2.972 -31.955 15.229 1.00 35.33 C ATOM 260 CD2 LEU A 16 3.552 -29.511 15.390 1.00 64.25 C ATOM 0 H LEU A 16 5.419 -31.111 19.320 1.00 42.35 H new ATOM 0 HA LEU A 16 3.520 -29.534 17.960 1.00 22.01 H new ATOM 0 HB2 LEU A 16 5.594 -30.690 17.066 1.00 64.11 H new ATOM 0 HB3 LEU A 16 4.735 -32.214 17.174 1.00 64.11 H new ATOM 0 HG LEU A 16 4.891 -31.105 14.886 1.00 41.12 H new ATOM 0 HD11 LEU A 16 2.618 -31.777 14.213 1.00 35.33 H new ATOM 0 HD12 LEU A 16 3.378 -32.964 15.300 1.00 35.33 H new ATOM 0 HD13 LEU A 16 2.141 -31.848 15.926 1.00 35.33 H new ATOM 0 HD21 LEU A 16 3.175 -29.388 14.375 1.00 64.25 H new ATOM 0 HD22 LEU A 16 2.749 -29.317 16.101 1.00 64.25 H new ATOM 0 HD23 LEU A 16 4.367 -28.808 15.562 1.00 64.25 H new ATOM 272 N MET A 17 2.432 -32.551 18.789 1.00 22.15 N ATOM 273 CA MET A 17 1.206 -33.350 18.919 1.00 32.45 C ATOM 274 C MET A 17 0.157 -32.633 19.790 1.00 42.34 C ATOM 275 O MET A 17 -1.045 -32.753 19.555 1.00 74.31 O ATOM 276 CB MET A 17 1.525 -34.740 19.492 1.00 72.22 C ATOM 277 CG MET A 17 2.063 -34.727 20.915 1.00 31.43 C ATOM 278 SD MET A 17 2.450 -36.379 21.528 1.00 23.12 S ATOM 279 CE MET A 17 3.726 -36.885 20.374 1.00 41.14 C ATOM 0 H MET A 17 3.277 -33.015 19.122 1.00 22.15 H new ATOM 0 HA MET A 17 0.782 -33.473 17.922 1.00 32.45 H new ATOM 0 HB2 MET A 17 0.620 -35.347 19.465 1.00 72.22 H new ATOM 0 HB3 MET A 17 2.255 -35.227 18.845 1.00 72.22 H new ATOM 0 HG2 MET A 17 2.961 -34.110 20.954 1.00 31.43 H new ATOM 0 HG3 MET A 17 1.328 -34.263 21.573 1.00 31.43 H new ATOM 0 HE1 MET A 17 4.414 -37.570 20.870 1.00 41.14 H new ATOM 0 HE2 MET A 17 3.268 -37.385 19.521 1.00 41.14 H new ATOM 0 HE3 MET A 17 4.273 -36.008 20.029 1.00 41.14 H new ATOM 289 N VAL A 18 0.622 -31.868 20.779 1.00 60.41 N ATOM 290 CA VAL A 18 -0.270 -31.097 21.653 1.00 64.14 C ATOM 291 C VAL A 18 -0.840 -29.861 20.926 1.00 41.22 C ATOM 292 O VAL A 18 -2.023 -29.535 21.055 1.00 41.22 O ATOM 293 CB VAL A 18 0.469 -30.637 22.937 1.00 74.45 C ATOM 294 CG1 VAL A 18 -0.459 -29.835 23.852 1.00 22.53 C ATOM 295 CG2 VAL A 18 1.061 -31.837 23.678 1.00 34.55 C ATOM 0 H VAL A 18 1.613 -31.764 20.997 1.00 60.41 H new ATOM 0 HA VAL A 18 -1.093 -31.756 21.928 1.00 64.14 H new ATOM 0 HB VAL A 18 1.287 -29.982 22.638 1.00 74.45 H new ATOM 0 HG11 VAL A 18 0.087 -29.526 24.744 1.00 22.53 H new ATOM 0 HG12 VAL A 18 -0.818 -28.952 23.323 1.00 22.53 H new ATOM 0 HG13 VAL A 18 -1.308 -30.454 24.142 1.00 22.53 H new ATOM 0 HG21 VAL A 18 1.575 -31.493 24.575 1.00 34.55 H new ATOM 0 HG22 VAL A 18 0.261 -32.522 23.958 1.00 34.55 H new ATOM 0 HG23 VAL A 18 1.769 -32.352 23.029 1.00 34.55 H new ATOM 305 N ARG A 19 0.014 -29.180 20.163 1.00 11.24 N ATOM 306 CA ARG A 19 -0.376 -27.966 19.429 1.00 41.03 C ATOM 307 C ARG A 19 -1.305 -28.282 18.239 1.00 13.21 C ATOM 308 O ARG A 19 -2.168 -27.479 17.883 1.00 3.20 O ATOM 309 CB ARG A 19 0.885 -27.235 18.938 1.00 50.24 C ATOM 310 CG ARG A 19 1.813 -26.786 20.069 1.00 20.33 C ATOM 311 CD ARG A 19 1.302 -25.531 20.777 1.00 51.45 C ATOM 312 NE ARG A 19 1.526 -24.321 19.983 1.00 0.24 N ATOM 313 CZ ARG A 19 1.571 -23.109 20.477 1.00 71.44 C ATOM 314 NH1 ARG A 19 1.312 -22.896 21.729 1.00 72.30 N ATOM 315 NH2 ARG A 19 1.860 -22.105 19.709 1.00 5.43 N ATOM 0 H ARG A 19 0.990 -29.448 20.033 1.00 11.24 H new ATOM 0 HA ARG A 19 -0.933 -27.325 20.112 1.00 41.03 H new ATOM 0 HB2 ARG A 19 1.437 -27.892 18.266 1.00 50.24 H new ATOM 0 HB3 ARG A 19 0.586 -26.363 18.357 1.00 50.24 H new ATOM 0 HG2 ARG A 19 1.915 -27.593 20.794 1.00 20.33 H new ATOM 0 HG3 ARG A 19 2.807 -26.593 19.665 1.00 20.33 H new ATOM 0 HD2 ARG A 19 0.237 -25.638 20.981 1.00 51.45 H new ATOM 0 HD3 ARG A 19 1.802 -25.430 21.740 1.00 51.45 H new ATOM 0 HE ARG A 19 1.656 -24.430 18.977 1.00 0.24 H new ATOM 0 HH11 ARG A 19 1.070 -23.676 22.340 1.00 72.30 H new ATOM 0 HH12 ARG A 19 1.350 -21.948 22.104 1.00 72.30 H new ATOM 0 HH21 ARG A 19 2.052 -22.259 18.719 1.00 5.43 H new ATOM 0 HH22 ARG A 19 1.895 -21.161 20.095 1.00 5.43 H new ATOM 329 N THR A 20 -1.123 -29.453 17.629 1.00 55.52 N ATOM 330 CA THR A 20 -1.935 -29.863 16.467 1.00 4.01 C ATOM 331 C THR A 20 -3.128 -30.743 16.866 1.00 73.34 C ATOM 332 O THR A 20 -4.177 -30.715 16.215 1.00 42.22 O ATOM 333 CB THR A 20 -1.086 -30.646 15.438 1.00 5.51 C ATOM 334 OG1 THR A 20 -0.471 -31.779 16.072 1.00 52.31 O ATOM 335 CG2 THR A 20 -0.013 -29.759 14.820 1.00 24.24 C ATOM 0 H THR A 20 -0.423 -30.138 17.914 1.00 55.52 H new ATOM 0 HA THR A 20 -2.307 -28.938 16.026 1.00 4.01 H new ATOM 0 HB THR A 20 -1.749 -30.986 14.642 1.00 5.51 H new ATOM 0 HG1 THR A 20 0.201 -31.469 16.715 1.00 52.31 H new ATOM 0 HG21 THR A 20 0.567 -30.337 14.101 1.00 24.24 H new ATOM 0 HG22 THR A 20 -0.484 -28.917 14.313 1.00 24.24 H new ATOM 0 HG23 THR A 20 0.647 -29.387 15.603 1.00 24.24 H new ATOM 343 N GLY A 21 -2.968 -31.523 17.937 1.00 54.13 N ATOM 344 CA GLY A 21 -4.022 -32.439 18.378 1.00 43.01 C ATOM 345 C GLY A 21 -3.803 -33.882 17.908 1.00 43.22 C ATOM 346 O GLY A 21 -4.675 -34.742 18.077 1.00 44.42 O ATOM 0 H GLY A 21 -2.125 -31.539 18.511 1.00 54.13 H new ATOM 0 HA2 GLY A 21 -4.077 -32.423 19.466 1.00 43.01 H new ATOM 0 HA3 GLY A 21 -4.983 -32.084 18.005 1.00 43.01 H new ATOM 350 N LEU A 22 -2.634 -34.146 17.325 1.00 1.10 N ATOM 351 CA LEU A 22 -2.286 -35.489 16.822 1.00 12.34 C ATOM 352 C LEU A 22 -1.589 -36.344 17.894 1.00 0.21 C ATOM 353 O LEU A 22 -1.305 -35.877 18.996 1.00 55.24 O ATOM 354 CB LEU A 22 -1.380 -35.377 15.580 1.00 1.03 C ATOM 355 CG LEU A 22 -2.093 -35.058 14.252 1.00 71.34 C ATOM 356 CD1 LEU A 22 -2.928 -33.782 14.353 1.00 42.54 C ATOM 357 CD2 LEU A 22 -1.074 -34.945 13.124 1.00 22.33 C ATOM 0 H LEU A 22 -1.903 -33.448 17.186 1.00 1.10 H new ATOM 0 HA LEU A 22 -3.219 -35.984 16.553 1.00 12.34 H new ATOM 0 HB2 LEU A 22 -0.636 -34.602 15.766 1.00 1.03 H new ATOM 0 HB3 LEU A 22 -0.839 -36.316 15.463 1.00 1.03 H new ATOM 0 HG LEU A 22 -2.776 -35.878 14.032 1.00 71.34 H new ATOM 0 HD11 LEU A 22 -3.416 -33.590 13.397 1.00 42.54 H new ATOM 0 HD12 LEU A 22 -3.684 -33.903 15.129 1.00 42.54 H new ATOM 0 HD13 LEU A 22 -2.280 -32.942 14.605 1.00 42.54 H new ATOM 0 HD21 LEU A 22 -1.589 -34.719 12.190 1.00 22.33 H new ATOM 0 HD22 LEU A 22 -0.367 -34.147 13.351 1.00 22.33 H new ATOM 0 HD23 LEU A 22 -0.536 -35.888 13.023 1.00 22.33 H new ATOM 369 N GLY A 23 -1.332 -37.608 17.561 1.00 12.11 N ATOM 370 CA GLY A 23 -0.584 -38.496 18.449 1.00 45.50 C ATOM 371 C GLY A 23 0.742 -38.948 17.840 1.00 34.42 C ATOM 372 O GLY A 23 0.924 -38.885 16.621 1.00 21.11 O ATOM 0 H GLY A 23 -1.630 -38.039 16.686 1.00 12.11 H new ATOM 0 HA2 GLY A 23 -0.392 -37.984 19.392 1.00 45.50 H new ATOM 0 HA3 GLY A 23 -1.192 -39.371 18.679 1.00 45.50 H new ATOM 376 N ALA A 24 1.661 -39.423 18.686 1.00 21.41 N ATOM 377 CA ALA A 24 3.001 -39.848 18.243 1.00 3.45 C ATOM 378 C ALA A 24 2.946 -40.851 17.078 1.00 54.23 C ATOM 379 O ALA A 24 3.709 -40.744 16.113 1.00 3.23 O ATOM 380 CB ALA A 24 3.768 -40.447 19.418 1.00 74.40 C ATOM 0 H ALA A 24 1.504 -39.525 19.689 1.00 21.41 H new ATOM 0 HA ALA A 24 3.519 -38.962 17.876 1.00 3.45 H new ATOM 0 HB1 ALA A 24 4.758 -40.760 19.085 1.00 74.40 H new ATOM 0 HB2 ALA A 24 3.869 -39.700 20.205 1.00 74.40 H new ATOM 0 HB3 ALA A 24 3.226 -41.310 19.804 1.00 74.40 H new ATOM 386 N ARG A 25 2.032 -41.813 17.167 1.00 72.51 N ATOM 387 CA ARG A 25 1.884 -42.838 16.128 1.00 50.23 C ATOM 388 C ARG A 25 1.483 -42.223 14.778 1.00 73.20 C ATOM 389 O ARG A 25 2.009 -42.595 13.728 1.00 64.31 O ATOM 390 CB ARG A 25 0.840 -43.878 16.548 1.00 22.31 C ATOM 391 CG ARG A 25 0.656 -45.001 15.533 1.00 41.41 C ATOM 392 CD ARG A 25 -0.446 -45.965 15.951 1.00 54.01 C ATOM 393 NE ARG A 25 -1.760 -45.323 16.000 1.00 33.52 N ATOM 394 CZ ARG A 25 -2.861 -45.936 16.340 1.00 41.24 C ATOM 395 NH1 ARG A 25 -2.842 -47.186 16.685 1.00 13.01 N ATOM 396 NH2 ARG A 25 -3.983 -45.296 16.338 1.00 2.52 N ATOM 0 H ARG A 25 1.381 -41.908 17.946 1.00 72.51 H new ATOM 0 HA ARG A 25 2.853 -43.322 16.008 1.00 50.23 H new ATOM 0 HB2 ARG A 25 1.133 -44.309 17.505 1.00 22.31 H new ATOM 0 HB3 ARG A 25 -0.117 -43.379 16.703 1.00 22.31 H new ATOM 0 HG2 ARG A 25 0.416 -44.575 14.559 1.00 41.41 H new ATOM 0 HG3 ARG A 25 1.593 -45.547 15.420 1.00 41.41 H new ATOM 0 HD2 ARG A 25 -0.479 -46.800 15.252 1.00 54.01 H new ATOM 0 HD3 ARG A 25 -0.210 -46.379 16.931 1.00 54.01 H new ATOM 0 HE ARG A 25 -1.819 -44.335 15.753 1.00 33.52 H new ATOM 0 HH11 ARG A 25 -1.961 -47.700 16.692 1.00 13.01 H new ATOM 0 HH12 ARG A 25 -3.708 -47.655 16.949 1.00 13.01 H new ATOM 0 HH21 ARG A 25 -4.008 -44.312 16.071 1.00 2.52 H new ATOM 0 HH22 ARG A 25 -4.844 -45.775 16.604 1.00 2.52 H new ATOM 410 N GLN A 26 0.553 -41.274 14.807 1.00 71.51 N ATOM 411 CA GLN A 26 0.076 -40.642 13.576 1.00 30.03 C ATOM 412 C GLN A 26 1.175 -39.770 12.944 1.00 71.03 C ATOM 413 O GLN A 26 1.308 -39.704 11.720 1.00 24.02 O ATOM 414 CB GLN A 26 -1.181 -39.804 13.856 1.00 2.34 C ATOM 415 CG GLN A 26 -1.927 -39.378 12.594 1.00 21.52 C ATOM 416 CD GLN A 26 -3.193 -38.590 12.890 1.00 33.41 C ATOM 417 OE1 GLN A 26 -3.830 -38.773 13.922 1.00 70.00 O ATOM 418 NE2 GLN A 26 -3.584 -37.727 11.975 1.00 24.01 N ATOM 0 H GLN A 26 0.116 -40.926 15.660 1.00 71.51 H new ATOM 0 HA GLN A 26 -0.181 -41.429 12.867 1.00 30.03 H new ATOM 0 HB2 GLN A 26 -1.856 -40.378 14.490 1.00 2.34 H new ATOM 0 HB3 GLN A 26 -0.896 -38.914 14.417 1.00 2.34 H new ATOM 0 HG2 GLN A 26 -1.265 -38.773 11.974 1.00 21.52 H new ATOM 0 HG3 GLN A 26 -2.184 -40.264 12.014 1.00 21.52 H new ATOM 0 HE21 GLN A 26 -3.032 -37.598 11.127 1.00 24.01 H new ATOM 0 HE22 GLN A 26 -4.439 -37.188 12.114 1.00 24.01 H new ATOM 427 N ILE A 27 1.973 -39.119 13.790 1.00 33.22 N ATOM 428 CA ILE A 27 3.076 -38.277 13.322 1.00 31.15 C ATOM 429 C ILE A 27 4.203 -39.122 12.699 1.00 75.34 C ATOM 430 O ILE A 27 4.731 -38.780 11.639 1.00 71.51 O ATOM 431 CB ILE A 27 3.653 -37.409 14.470 1.00 45.22 C ATOM 432 CG1 ILE A 27 2.543 -36.546 15.097 1.00 13.53 C ATOM 433 CG2 ILE A 27 4.794 -36.527 13.956 1.00 32.34 C ATOM 434 CD1 ILE A 27 3.010 -35.692 16.258 1.00 63.05 C ATOM 0 H ILE A 27 1.877 -39.158 14.805 1.00 33.22 H new ATOM 0 HA ILE A 27 2.666 -37.618 12.556 1.00 31.15 H new ATOM 0 HB ILE A 27 4.052 -38.071 15.238 1.00 45.22 H new ATOM 0 HG12 ILE A 27 2.123 -35.898 14.328 1.00 13.53 H new ATOM 0 HG13 ILE A 27 1.739 -37.198 15.439 1.00 13.53 H new ATOM 0 HG21 ILE A 27 5.186 -35.925 14.776 1.00 32.34 H new ATOM 0 HG22 ILE A 27 5.589 -37.157 13.556 1.00 32.34 H new ATOM 0 HG23 ILE A 27 4.421 -35.870 13.170 1.00 32.34 H new ATOM 0 HD11 ILE A 27 2.171 -35.114 16.645 1.00 63.05 H new ATOM 0 HD12 ILE A 27 3.403 -36.334 17.047 1.00 63.05 H new ATOM 0 HD13 ILE A 27 3.792 -35.013 15.919 1.00 63.05 H new ATOM 446 N GLU A 28 4.563 -40.234 13.350 1.00 31.00 N ATOM 447 CA GLU A 28 5.608 -41.120 12.816 1.00 5.53 C ATOM 448 C GLU A 28 5.171 -41.716 11.468 1.00 41.24 C ATOM 449 O GLU A 28 5.976 -41.843 10.544 1.00 31.32 O ATOM 450 CB GLU A 28 5.969 -42.243 13.808 1.00 34.10 C ATOM 451 CG GLU A 28 4.907 -43.328 13.957 1.00 44.32 C ATOM 452 CD GLU A 28 5.397 -44.534 14.744 1.00 60.55 C ATOM 453 OE1 GLU A 28 6.273 -45.262 14.230 1.00 45.30 O ATOM 454 OE2 GLU A 28 4.915 -44.763 15.873 1.00 63.41 O ATOM 0 H GLU A 28 4.155 -40.540 14.233 1.00 31.00 H new ATOM 0 HA GLU A 28 6.502 -40.516 12.663 1.00 5.53 H new ATOM 0 HB2 GLU A 28 6.901 -42.708 13.486 1.00 34.10 H new ATOM 0 HB3 GLU A 28 6.155 -41.799 14.786 1.00 34.10 H new ATOM 0 HG2 GLU A 28 4.033 -42.907 14.454 1.00 44.32 H new ATOM 0 HG3 GLU A 28 4.586 -43.653 12.967 1.00 44.32 H new ATOM 461 N SER A 29 3.887 -42.067 11.357 1.00 52.51 N ATOM 462 CA SER A 29 3.319 -42.532 10.085 1.00 65.04 C ATOM 463 C SER A 29 3.446 -41.448 9.005 1.00 62.14 C ATOM 464 O SER A 29 3.759 -41.736 7.848 1.00 71.24 O ATOM 465 CB SER A 29 1.843 -42.925 10.258 1.00 34.30 C ATOM 466 OG SER A 29 1.260 -43.329 9.024 1.00 42.32 O ATOM 0 H SER A 29 3.221 -42.039 12.129 1.00 52.51 H new ATOM 0 HA SER A 29 3.881 -43.411 9.770 1.00 65.04 H new ATOM 0 HB2 SER A 29 1.764 -43.737 10.981 1.00 34.30 H new ATOM 0 HB3 SER A 29 1.286 -42.081 10.665 1.00 34.30 H new ATOM 0 HG SER A 29 0.322 -43.573 9.170 1.00 42.32 H new ATOM 472 N TYR A 30 3.207 -40.195 9.394 1.00 2.33 N ATOM 473 CA TYR A 30 3.402 -39.058 8.489 1.00 33.31 C ATOM 474 C TYR A 30 4.884 -38.869 8.125 1.00 35.40 C ATOM 475 O TYR A 30 5.205 -38.470 7.007 1.00 51.41 O ATOM 476 CB TYR A 30 2.855 -37.763 9.102 1.00 63.12 C ATOM 477 CG TYR A 30 1.338 -37.671 9.140 1.00 14.43 C ATOM 478 CD1 TYR A 30 0.552 -38.289 8.168 1.00 11.10 C ATOM 479 CD2 TYR A 30 0.695 -36.951 10.142 1.00 62.24 C ATOM 480 CE1 TYR A 30 -0.826 -38.192 8.198 1.00 52.14 C ATOM 481 CE2 TYR A 30 -0.681 -36.849 10.174 1.00 60.41 C ATOM 482 CZ TYR A 30 -1.437 -37.470 9.202 1.00 12.51 C ATOM 483 OH TYR A 30 -2.811 -37.363 9.234 1.00 51.01 O ATOM 0 H TYR A 30 2.879 -39.941 10.326 1.00 2.33 H new ATOM 0 HA TYR A 30 2.848 -39.282 7.577 1.00 33.31 H new ATOM 0 HB2 TYR A 30 3.237 -37.668 10.118 1.00 63.12 H new ATOM 0 HB3 TYR A 30 3.243 -36.916 8.536 1.00 63.12 H new ATOM 0 HD1 TYR A 30 1.028 -38.852 7.379 1.00 11.10 H new ATOM 0 HD2 TYR A 30 1.282 -36.464 10.907 1.00 62.24 H new ATOM 0 HE1 TYR A 30 -1.421 -38.679 7.440 1.00 52.14 H new ATOM 0 HE2 TYR A 30 -1.164 -36.285 10.958 1.00 60.41 H new ATOM 0 HH TYR A 30 -3.211 -38.166 8.839 1.00 51.01 H new ATOM 493 N ARG A 31 5.785 -39.145 9.068 1.00 51.14 N ATOM 494 CA ARG A 31 7.228 -39.063 8.794 1.00 52.54 C ATOM 495 C ARG A 31 7.671 -40.159 7.824 1.00 54.23 C ATOM 496 O ARG A 31 8.700 -40.043 7.159 1.00 73.31 O ATOM 497 CB ARG A 31 8.038 -39.119 10.094 1.00 44.40 C ATOM 498 CG ARG A 31 7.820 -37.903 10.990 1.00 1.43 C ATOM 499 CD ARG A 31 8.755 -37.894 12.194 1.00 15.42 C ATOM 500 NE ARG A 31 8.558 -39.051 13.064 1.00 31.33 N ATOM 501 CZ ARG A 31 8.535 -38.994 14.367 1.00 62.42 C ATOM 502 NH1 ARG A 31 8.642 -37.858 14.976 1.00 22.22 N ATOM 503 NH2 ARG A 31 8.409 -40.075 15.064 1.00 22.21 N ATOM 0 H ARG A 31 5.549 -39.425 10.020 1.00 51.14 H new ATOM 0 HA ARG A 31 7.421 -38.101 8.318 1.00 52.54 H new ATOM 0 HB2 ARG A 31 7.769 -40.021 10.644 1.00 44.40 H new ATOM 0 HB3 ARG A 31 9.098 -39.198 9.851 1.00 44.40 H new ATOM 0 HG2 ARG A 31 7.973 -36.994 10.408 1.00 1.43 H new ATOM 0 HG3 ARG A 31 6.786 -37.890 11.336 1.00 1.43 H new ATOM 0 HD2 ARG A 31 9.788 -37.876 11.847 1.00 15.42 H new ATOM 0 HD3 ARG A 31 8.595 -36.981 12.767 1.00 15.42 H new ATOM 0 HE ARG A 31 8.430 -39.962 12.624 1.00 31.33 H new ATOM 0 HH11 ARG A 31 8.745 -36.998 14.437 1.00 22.22 H new ATOM 0 HH12 ARG A 31 8.623 -37.822 15.995 1.00 22.22 H new ATOM 0 HH21 ARG A 31 8.327 -40.977 14.595 1.00 22.21 H new ATOM 0 HH22 ARG A 31 8.392 -40.026 16.083 1.00 22.21 H new ATOM 517 N GLN A 32 6.875 -41.215 7.737 1.00 31.40 N ATOM 518 CA GLN A 32 7.065 -42.249 6.721 1.00 24.50 C ATOM 519 C GLN A 32 6.377 -41.849 5.399 1.00 70.24 C ATOM 520 O GLN A 32 6.213 -42.672 4.498 1.00 4.10 O ATOM 521 CB GLN A 32 6.513 -43.585 7.239 1.00 55.03 C ATOM 522 CG GLN A 32 7.221 -44.084 8.497 1.00 5.31 C ATOM 523 CD GLN A 32 6.529 -45.273 9.142 1.00 31.33 C ATOM 524 OE1 GLN A 32 5.882 -46.076 8.477 1.00 62.52 O ATOM 525 NE2 GLN A 32 6.662 -45.402 10.447 1.00 21.01 N ATOM 0 H GLN A 32 6.085 -41.382 8.361 1.00 31.40 H new ATOM 0 HA GLN A 32 8.131 -42.359 6.521 1.00 24.50 H new ATOM 0 HB2 GLN A 32 5.449 -43.474 7.449 1.00 55.03 H new ATOM 0 HB3 GLN A 32 6.606 -44.337 6.455 1.00 55.03 H new ATOM 0 HG2 GLN A 32 8.245 -44.361 8.244 1.00 5.31 H new ATOM 0 HG3 GLN A 32 7.280 -43.270 9.220 1.00 5.31 H new ATOM 0 HE21 GLN A 32 7.206 -44.719 10.974 1.00 21.01 H new ATOM 0 HE22 GLN A 32 6.221 -46.185 10.930 1.00 21.01 H new ATOM 534 N GLY A 33 5.985 -40.572 5.288 1.00 64.52 N ATOM 535 CA GLY A 33 5.336 -40.081 4.073 1.00 22.54 C ATOM 536 C GLY A 33 5.435 -38.560 3.877 1.00 0.30 C ATOM 537 O GLY A 33 6.310 -38.075 3.159 1.00 14.04 O ATOM 0 H GLY A 33 6.106 -39.870 6.018 1.00 64.52 H new ATOM 0 HA2 GLY A 33 5.782 -40.577 3.211 1.00 22.54 H new ATOM 0 HA3 GLY A 33 4.284 -40.365 4.096 1.00 22.54 H new ATOM 541 N ALA A 34 4.551 -37.810 4.541 1.00 1.23 N ATOM 542 CA ALA A 34 4.381 -36.366 4.283 1.00 31.04 C ATOM 543 C ALA A 34 5.458 -35.476 4.940 1.00 30.15 C ATOM 544 O ALA A 34 5.833 -34.439 4.389 1.00 14.13 O ATOM 545 CB ALA A 34 2.995 -35.921 4.739 1.00 14.33 C ATOM 0 H ALA A 34 3.935 -38.176 5.267 1.00 1.23 H new ATOM 0 HA ALA A 34 4.496 -36.235 3.207 1.00 31.04 H new ATOM 0 HB1 ALA A 34 2.874 -34.855 4.547 1.00 14.33 H new ATOM 0 HB2 ALA A 34 2.235 -36.477 4.190 1.00 14.33 H new ATOM 0 HB3 ALA A 34 2.884 -36.112 5.806 1.00 14.33 H new ATOM 551 N TRP A 35 5.937 -35.855 6.121 1.00 34.05 N ATOM 552 CA TRP A 35 6.966 -35.065 6.818 1.00 35.53 C ATOM 553 C TRP A 35 8.327 -35.189 6.108 1.00 2.34 C ATOM 554 O TRP A 35 9.013 -36.205 6.232 1.00 1.13 O ATOM 555 CB TRP A 35 7.105 -35.525 8.279 1.00 75.33 C ATOM 556 CG TRP A 35 6.172 -34.891 9.277 1.00 70.13 C ATOM 557 CD1 TRP A 35 6.487 -34.554 10.561 1.00 61.55 C ATOM 558 CD2 TRP A 35 4.793 -34.533 9.103 1.00 51.41 C ATOM 559 NE1 TRP A 35 5.397 -34.022 11.197 1.00 10.01 N ATOM 560 CE2 TRP A 35 4.348 -33.994 10.324 1.00 4.52 C ATOM 561 CE3 TRP A 35 3.896 -34.612 8.040 1.00 52.12 C ATOM 562 CZ2 TRP A 35 3.047 -33.544 10.510 1.00 31.42 C ATOM 563 CZ3 TRP A 35 2.603 -34.161 8.225 1.00 52.40 C ATOM 564 CH2 TRP A 35 2.190 -33.631 9.452 1.00 71.22 C ATOM 0 H TRP A 35 5.638 -36.694 6.617 1.00 34.05 H new ATOM 0 HA TRP A 35 6.652 -34.021 6.800 1.00 35.53 H new ATOM 0 HB2 TRP A 35 6.957 -36.604 8.312 1.00 75.33 H new ATOM 0 HB3 TRP A 35 8.129 -35.334 8.600 1.00 75.33 H new ATOM 0 HD1 TRP A 35 7.459 -34.688 11.012 1.00 61.55 H new ATOM 0 HE1 TRP A 35 5.373 -33.700 12.164 1.00 10.01 H new ATOM 0 HE3 TRP A 35 4.206 -35.018 7.088 1.00 52.12 H new ATOM 0 HZ2 TRP A 35 2.725 -33.140 11.458 1.00 31.42 H new ATOM 0 HZ3 TRP A 35 1.899 -34.219 7.408 1.00 52.40 H new ATOM 0 HH2 TRP A 35 1.173 -33.284 9.564 1.00 71.22 H new ATOM 575 N ILE A 36 8.712 -34.145 5.376 1.00 11.12 N ATOM 576 CA ILE A 36 9.987 -34.126 4.645 1.00 1.03 C ATOM 577 C ILE A 36 11.052 -33.295 5.379 1.00 52.30 C ATOM 578 O ILE A 36 10.806 -32.139 5.750 1.00 45.22 O ATOM 579 CB ILE A 36 9.807 -33.544 3.221 1.00 44.23 C ATOM 580 CG1 ILE A 36 8.776 -34.364 2.432 1.00 60.45 C ATOM 581 CG2 ILE A 36 11.145 -33.496 2.478 1.00 10.32 C ATOM 582 CD1 ILE A 36 8.512 -33.825 1.042 1.00 53.11 C ATOM 0 H ILE A 36 8.159 -33.295 5.270 1.00 11.12 H new ATOM 0 HA ILE A 36 10.321 -35.162 4.582 1.00 1.03 H new ATOM 0 HB ILE A 36 9.437 -32.523 3.314 1.00 44.23 H new ATOM 0 HG12 ILE A 36 9.125 -35.394 2.354 1.00 60.45 H new ATOM 0 HG13 ILE A 36 7.839 -34.387 2.988 1.00 60.45 H new ATOM 0 HG21 ILE A 36 10.993 -33.084 1.481 1.00 10.32 H new ATOM 0 HG22 ILE A 36 11.844 -32.866 3.028 1.00 10.32 H new ATOM 0 HG23 ILE A 36 11.552 -34.504 2.396 1.00 10.32 H new ATOM 0 HD11 ILE A 36 7.774 -34.453 0.542 1.00 53.11 H new ATOM 0 HD12 ILE A 36 8.133 -32.806 1.113 1.00 53.11 H new ATOM 0 HD13 ILE A 36 9.439 -33.828 0.468 1.00 53.11 H new ATOM 594 N GLU A 37 12.235 -33.884 5.571 1.00 55.20 N ATOM 595 CA GLU A 37 13.372 -33.181 6.178 1.00 62.52 C ATOM 596 C GLU A 37 13.841 -32.026 5.281 1.00 30.54 C ATOM 597 O GLU A 37 13.999 -32.191 4.071 1.00 2.31 O ATOM 598 CB GLU A 37 14.528 -34.164 6.431 1.00 33.13 C ATOM 599 CG GLU A 37 15.718 -33.556 7.173 1.00 74.40 C ATOM 600 CD GLU A 37 16.832 -34.564 7.426 1.00 11.24 C ATOM 601 OE1 GLU A 37 17.660 -34.782 6.519 1.00 22.45 O ATOM 602 OE2 GLU A 37 16.878 -35.151 8.532 1.00 24.13 O ATOM 0 H GLU A 37 12.433 -34.851 5.314 1.00 55.20 H new ATOM 0 HA GLU A 37 13.049 -32.763 7.131 1.00 62.52 H new ATOM 0 HB2 GLU A 37 14.151 -35.011 7.005 1.00 33.13 H new ATOM 0 HB3 GLU A 37 14.873 -34.556 5.474 1.00 33.13 H new ATOM 0 HG2 GLU A 37 16.114 -32.721 6.594 1.00 74.40 H new ATOM 0 HG3 GLU A 37 15.378 -33.150 8.126 1.00 74.40 H new ATOM 609 N GLY A 38 14.043 -30.856 5.880 1.00 14.51 N ATOM 610 CA GLY A 38 14.420 -29.670 5.118 1.00 52.23 C ATOM 611 C GLY A 38 13.214 -28.834 4.680 1.00 5.42 C ATOM 612 O GLY A 38 13.335 -27.628 4.443 1.00 40.41 O ATOM 0 H GLY A 38 13.953 -30.704 6.885 1.00 14.51 H new ATOM 0 HA2 GLY A 38 15.084 -29.052 5.723 1.00 52.23 H new ATOM 0 HA3 GLY A 38 14.984 -29.975 4.236 1.00 52.23 H new ATOM 616 N VAL A 39 12.047 -29.474 4.565 1.00 34.32 N ATOM 617 CA VAL A 39 10.815 -28.785 4.149 1.00 54.12 C ATOM 618 C VAL A 39 9.869 -28.532 5.338 1.00 74.24 C ATOM 619 O VAL A 39 9.694 -27.394 5.771 1.00 60.31 O ATOM 620 CB VAL A 39 10.059 -29.584 3.053 1.00 30.35 C ATOM 621 CG1 VAL A 39 8.791 -28.844 2.619 1.00 73.21 C ATOM 622 CG2 VAL A 39 10.970 -29.849 1.854 1.00 52.20 C ATOM 0 H VAL A 39 11.926 -30.469 4.754 1.00 34.32 H new ATOM 0 HA VAL A 39 11.125 -27.824 3.739 1.00 54.12 H new ATOM 0 HB VAL A 39 9.763 -30.545 3.474 1.00 30.35 H new ATOM 0 HG11 VAL A 39 8.277 -29.422 1.851 1.00 73.21 H new ATOM 0 HG12 VAL A 39 8.132 -28.716 3.478 1.00 73.21 H new ATOM 0 HG13 VAL A 39 9.059 -27.866 2.219 1.00 73.21 H new ATOM 0 HG21 VAL A 39 10.422 -30.410 1.097 1.00 52.20 H new ATOM 0 HG22 VAL A 39 11.302 -28.900 1.433 1.00 52.20 H new ATOM 0 HG23 VAL A 39 11.837 -30.426 2.176 1.00 52.20 H new ATOM 632 N HIS A 40 9.263 -29.597 5.871 1.00 22.22 N ATOM 633 CA HIS A 40 8.304 -29.458 6.977 1.00 62.41 C ATOM 634 C HIS A 40 9.001 -29.431 8.352 1.00 45.43 C ATOM 635 O HIS A 40 8.378 -29.091 9.361 1.00 3.03 O ATOM 636 CB HIS A 40 7.257 -30.584 6.932 1.00 74.45 C ATOM 637 CG HIS A 40 6.275 -30.473 5.797 1.00 55.20 C ATOM 638 ND1 HIS A 40 6.139 -29.346 5.009 1.00 3.34 N ATOM 639 CD2 HIS A 40 5.364 -31.361 5.327 1.00 3.41 C ATOM 640 CE1 HIS A 40 5.195 -29.549 4.112 1.00 4.10 C ATOM 641 NE2 HIS A 40 4.710 -30.760 4.281 1.00 3.13 N ATOM 0 H HIS A 40 9.415 -30.557 5.560 1.00 22.22 H new ATOM 0 HA HIS A 40 7.802 -28.499 6.846 1.00 62.41 H new ATOM 0 HB2 HIS A 40 7.773 -31.541 6.858 1.00 74.45 H new ATOM 0 HB3 HIS A 40 6.707 -30.591 7.873 1.00 74.45 H new ATOM 0 HD1 HIS A 40 6.685 -28.490 5.106 1.00 3.34 H new ATOM 0 HD2 HIS A 40 5.186 -32.357 5.706 1.00 3.41 H new ATOM 0 HE1 HIS A 40 4.873 -28.840 3.364 1.00 4.10 H new ATOM 650 N PHE A 41 10.286 -29.791 8.389 1.00 22.20 N ATOM 651 CA PHE A 41 11.074 -29.741 9.634 1.00 11.11 C ATOM 652 C PHE A 41 12.585 -29.692 9.350 1.00 23.40 C ATOM 653 O PHE A 41 13.017 -29.904 8.218 1.00 62.35 O ATOM 654 CB PHE A 41 10.749 -30.947 10.532 1.00 2.52 C ATOM 655 CG PHE A 41 11.107 -32.292 9.942 1.00 14.13 C ATOM 656 CD1 PHE A 41 12.379 -32.823 10.106 1.00 61.52 C ATOM 657 CD2 PHE A 41 10.167 -33.032 9.242 1.00 51.31 C ATOM 658 CE1 PHE A 41 12.704 -34.059 9.586 1.00 73.55 C ATOM 659 CE2 PHE A 41 10.489 -34.271 8.723 1.00 32.11 C ATOM 660 CZ PHE A 41 11.758 -34.784 8.896 1.00 34.12 C ATOM 0 H PHE A 41 10.807 -30.120 7.576 1.00 22.20 H new ATOM 0 HA PHE A 41 10.798 -28.824 10.154 1.00 11.11 H new ATOM 0 HB2 PHE A 41 11.276 -30.830 11.479 1.00 2.52 H new ATOM 0 HB3 PHE A 41 9.683 -30.937 10.757 1.00 2.52 H new ATOM 0 HD1 PHE A 41 13.125 -32.261 10.648 1.00 61.52 H new ATOM 0 HD2 PHE A 41 9.172 -32.636 9.101 1.00 51.31 H new ATOM 0 HE1 PHE A 41 13.699 -34.457 9.720 1.00 73.55 H new ATOM 0 HE2 PHE A 41 9.747 -34.839 8.181 1.00 32.11 H new ATOM 0 HZ PHE A 41 12.009 -35.753 8.491 1.00 34.12 H new ATOM 670 N LYS A 42 13.387 -29.424 10.386 1.00 23.24 N ATOM 671 CA LYS A 42 14.854 -29.407 10.246 1.00 4.54 C ATOM 672 C LYS A 42 15.539 -30.004 11.492 1.00 63.33 C ATOM 673 O LYS A 42 14.885 -30.282 12.499 1.00 73.23 O ATOM 674 CB LYS A 42 15.356 -27.975 9.982 1.00 34.14 C ATOM 675 CG LYS A 42 15.454 -27.094 11.227 1.00 65.53 C ATOM 676 CD LYS A 42 15.689 -25.624 10.873 1.00 14.22 C ATOM 677 CE LYS A 42 16.854 -25.431 9.901 1.00 42.44 C ATOM 678 NZ LYS A 42 18.159 -25.866 10.470 1.00 35.43 N ATOM 0 H LYS A 42 13.051 -29.217 11.327 1.00 23.24 H new ATOM 0 HA LYS A 42 15.118 -30.028 9.390 1.00 4.54 H new ATOM 0 HB2 LYS A 42 16.339 -28.029 9.514 1.00 34.14 H new ATOM 0 HB3 LYS A 42 14.688 -27.496 9.266 1.00 34.14 H new ATOM 0 HG2 LYS A 42 14.536 -27.185 11.808 1.00 65.53 H new ATOM 0 HG3 LYS A 42 16.268 -27.449 11.859 1.00 65.53 H new ATOM 0 HD2 LYS A 42 14.781 -25.211 10.433 1.00 14.22 H new ATOM 0 HD3 LYS A 42 15.885 -25.061 11.786 1.00 14.22 H new ATOM 0 HE2 LYS A 42 16.656 -25.992 8.988 1.00 42.44 H new ATOM 0 HE3 LYS A 42 16.917 -24.379 9.621 1.00 42.44 H new ATOM 0 HZ1 LYS A 42 18.912 -25.713 9.769 1.00 35.43 H new ATOM 0 HZ2 LYS A 42 18.366 -25.314 11.327 1.00 35.43 H new ATOM 0 HZ3 LYS A 42 18.112 -26.876 10.713 1.00 35.43 H new ATOM 692 N ARG A 43 16.859 -30.195 11.422 1.00 61.14 N ATOM 693 CA ARG A 43 17.606 -30.871 12.495 1.00 24.43 C ATOM 694 C ARG A 43 18.430 -29.886 13.342 1.00 34.13 C ATOM 695 O ARG A 43 19.431 -29.333 12.880 1.00 34.10 O ATOM 696 CB ARG A 43 18.526 -31.937 11.885 1.00 3.44 C ATOM 697 CG ARG A 43 17.790 -32.966 11.031 1.00 23.01 C ATOM 698 CD ARG A 43 16.795 -33.784 11.845 1.00 54.21 C ATOM 699 NE ARG A 43 17.456 -34.572 12.883 1.00 3.21 N ATOM 700 CZ ARG A 43 17.604 -35.867 12.836 1.00 71.33 C ATOM 701 NH1 ARG A 43 17.164 -36.545 11.820 1.00 41.31 N ATOM 702 NH2 ARG A 43 18.205 -36.482 13.804 1.00 74.20 N ATOM 0 H ARG A 43 17.435 -29.893 10.636 1.00 61.14 H new ATOM 0 HA ARG A 43 16.881 -31.339 13.161 1.00 24.43 H new ATOM 0 HB2 ARG A 43 19.283 -31.445 11.274 1.00 3.44 H new ATOM 0 HB3 ARG A 43 19.052 -32.453 12.688 1.00 3.44 H new ATOM 0 HG2 ARG A 43 17.264 -32.456 10.224 1.00 23.01 H new ATOM 0 HG3 ARG A 43 18.514 -33.635 10.567 1.00 23.01 H new ATOM 0 HD2 ARG A 43 16.067 -33.116 12.305 1.00 54.21 H new ATOM 0 HD3 ARG A 43 16.243 -34.449 11.181 1.00 54.21 H new ATOM 0 HE ARG A 43 17.825 -34.078 13.696 1.00 3.21 H new ATOM 0 HH11 ARG A 43 16.698 -36.065 11.050 1.00 41.31 H new ATOM 0 HH12 ARG A 43 17.284 -37.557 11.792 1.00 41.31 H new ATOM 0 HH21 ARG A 43 18.561 -35.954 14.601 1.00 74.20 H new ATOM 0 HH22 ARG A 43 18.322 -37.495 13.770 1.00 74.20 H new ATOM 716 N VAL A 44 18.007 -29.681 14.585 1.00 13.14 N ATOM 717 CA VAL A 44 18.684 -28.756 15.498 1.00 3.44 C ATOM 718 C VAL A 44 19.452 -29.507 16.601 1.00 15.02 C ATOM 719 O VAL A 44 18.859 -30.082 17.515 1.00 21.41 O ATOM 720 CB VAL A 44 17.667 -27.784 16.143 1.00 45.31 C ATOM 721 CG1 VAL A 44 18.337 -26.886 17.181 1.00 51.10 C ATOM 722 CG2 VAL A 44 16.969 -26.950 15.066 1.00 3.04 C ATOM 0 H VAL A 44 17.193 -30.145 14.989 1.00 13.14 H new ATOM 0 HA VAL A 44 19.402 -28.188 14.907 1.00 3.44 H new ATOM 0 HB VAL A 44 16.914 -28.378 16.662 1.00 45.31 H new ATOM 0 HG11 VAL A 44 17.595 -26.215 17.615 1.00 51.10 H new ATOM 0 HG12 VAL A 44 18.774 -27.502 17.967 1.00 51.10 H new ATOM 0 HG13 VAL A 44 19.121 -26.299 16.703 1.00 51.10 H new ATOM 0 HG21 VAL A 44 16.257 -26.271 15.536 1.00 3.04 H new ATOM 0 HG22 VAL A 44 17.711 -26.372 14.515 1.00 3.04 H new ATOM 0 HG23 VAL A 44 16.441 -27.611 14.379 1.00 3.04 H new ATOM 732 N SER A 45 20.777 -29.497 16.502 1.00 53.02 N ATOM 733 CA SER A 45 21.641 -30.169 17.481 1.00 61.24 C ATOM 734 C SER A 45 22.009 -29.235 18.643 1.00 22.04 C ATOM 735 O SER A 45 22.113 -28.021 18.463 1.00 15.00 O ATOM 736 CB SER A 45 22.932 -30.661 16.803 1.00 20.43 C ATOM 737 OG SER A 45 22.653 -31.583 15.761 1.00 33.31 O ATOM 0 H SER A 45 21.284 -29.029 15.751 1.00 53.02 H new ATOM 0 HA SER A 45 21.084 -31.017 17.879 1.00 61.24 H new ATOM 0 HB2 SER A 45 23.480 -29.809 16.400 1.00 20.43 H new ATOM 0 HB3 SER A 45 23.577 -31.133 17.545 1.00 20.43 H new ATOM 0 HG SER A 45 23.136 -32.419 15.926 1.00 33.31 H new ATOM 743 N PRO A 46 22.230 -29.792 19.854 1.00 4.55 N ATOM 744 CA PRO A 46 22.718 -29.020 21.021 1.00 72.31 C ATOM 745 C PRO A 46 24.189 -28.566 20.877 1.00 1.52 C ATOM 746 O PRO A 46 24.885 -28.339 21.870 1.00 10.11 O ATOM 747 CB PRO A 46 22.569 -30.010 22.196 1.00 53.11 C ATOM 748 CG PRO A 46 21.701 -31.113 21.678 1.00 60.25 C ATOM 749 CD PRO A 46 21.988 -31.200 20.207 1.00 35.14 C ATOM 0 HA PRO A 46 22.158 -28.094 21.148 1.00 72.31 H new ATOM 0 HB2 PRO A 46 23.539 -30.390 22.515 1.00 53.11 H new ATOM 0 HB3 PRO A 46 22.116 -29.527 23.062 1.00 53.11 H new ATOM 0 HG2 PRO A 46 21.926 -32.055 22.177 1.00 60.25 H new ATOM 0 HG3 PRO A 46 20.647 -30.900 21.859 1.00 60.25 H new ATOM 0 HD2 PRO A 46 22.855 -31.827 19.998 1.00 35.14 H new ATOM 0 HD3 PRO A 46 21.149 -31.620 19.653 1.00 35.14 H new ATOM 757 N SER A 47 24.644 -28.421 19.635 1.00 12.12 N ATOM 758 CA SER A 47 26.010 -27.989 19.322 1.00 0.23 C ATOM 759 C SER A 47 26.063 -27.419 17.897 1.00 3.20 C ATOM 760 O SER A 47 25.044 -27.372 17.204 1.00 4.32 O ATOM 761 CB SER A 47 27.000 -29.161 19.452 1.00 53.14 C ATOM 762 OG SER A 47 28.321 -28.762 19.104 1.00 61.20 O ATOM 0 H SER A 47 24.073 -28.601 18.809 1.00 12.12 H new ATOM 0 HA SER A 47 26.297 -27.215 20.034 1.00 0.23 H new ATOM 0 HB2 SER A 47 26.989 -29.538 20.475 1.00 53.14 H new ATOM 0 HB3 SER A 47 26.683 -29.981 18.807 1.00 53.14 H new ATOM 0 HG SER A 47 28.929 -29.525 19.197 1.00 61.20 H new ATOM 768 N GLY A 48 27.240 -26.990 17.459 1.00 42.30 N ATOM 769 CA GLY A 48 27.381 -26.435 16.113 1.00 23.15 C ATOM 770 C GLY A 48 27.747 -27.480 15.060 1.00 74.14 C ATOM 771 O GLY A 48 27.514 -27.280 13.864 1.00 73.43 O ATOM 0 H GLY A 48 28.101 -27.013 18.005 1.00 42.30 H new ATOM 0 HA2 GLY A 48 26.446 -25.954 15.827 1.00 23.15 H new ATOM 0 HA3 GLY A 48 28.147 -25.660 16.126 1.00 23.15 H new ATOM 775 N GLU A 49 28.316 -28.598 15.508 1.00 44.31 N ATOM 776 CA GLU A 49 28.810 -29.643 14.602 1.00 71.12 C ATOM 777 C GLU A 49 27.758 -30.726 14.310 1.00 21.41 C ATOM 778 O GLU A 49 26.636 -30.693 14.821 1.00 14.53 O ATOM 779 CB GLU A 49 30.065 -30.294 15.198 1.00 3.31 C ATOM 780 CG GLU A 49 31.227 -29.328 15.400 1.00 22.13 C ATOM 781 CD GLU A 49 32.434 -29.996 16.037 1.00 75.34 C ATOM 782 OE1 GLU A 49 32.463 -30.116 17.278 1.00 34.04 O ATOM 783 OE2 GLU A 49 33.352 -30.415 15.306 1.00 21.55 O ATOM 0 H GLU A 49 28.448 -28.807 16.497 1.00 44.31 H new ATOM 0 HA GLU A 49 29.045 -29.158 13.654 1.00 71.12 H new ATOM 0 HB2 GLU A 49 29.808 -30.743 16.157 1.00 3.31 H new ATOM 0 HB3 GLU A 49 30.388 -31.103 14.543 1.00 3.31 H new ATOM 0 HG2 GLU A 49 31.515 -28.905 14.438 1.00 22.13 H new ATOM 0 HG3 GLU A 49 30.901 -28.499 16.028 1.00 22.13 H new ATOM 790 N LYS A 50 28.146 -31.688 13.477 1.00 30.34 N ATOM 791 CA LYS A 50 27.270 -32.795 13.084 1.00 12.42 C ATOM 792 C LYS A 50 27.101 -33.827 14.215 1.00 52.42 C ATOM 793 O LYS A 50 28.049 -34.519 14.595 1.00 1.44 O ATOM 794 CB LYS A 50 27.832 -33.474 11.822 1.00 33.34 C ATOM 795 CG LYS A 50 29.283 -33.939 11.966 1.00 73.45 C ATOM 796 CD LYS A 50 29.860 -34.448 10.649 1.00 43.22 C ATOM 797 CE LYS A 50 29.156 -35.705 10.160 1.00 63.23 C ATOM 798 NZ LYS A 50 29.722 -36.179 8.872 1.00 34.21 N ATOM 0 H LYS A 50 29.074 -31.725 13.055 1.00 30.34 H new ATOM 0 HA LYS A 50 26.283 -32.384 12.873 1.00 12.42 H new ATOM 0 HB2 LYS A 50 27.208 -34.333 11.574 1.00 33.34 H new ATOM 0 HB3 LYS A 50 27.764 -32.778 10.986 1.00 33.34 H new ATOM 0 HG2 LYS A 50 29.893 -33.113 12.332 1.00 73.45 H new ATOM 0 HG3 LYS A 50 29.336 -34.730 12.714 1.00 73.45 H new ATOM 0 HD2 LYS A 50 29.775 -33.668 9.892 1.00 43.22 H new ATOM 0 HD3 LYS A 50 30.923 -34.655 10.776 1.00 43.22 H new ATOM 0 HE2 LYS A 50 29.248 -36.490 10.910 1.00 63.23 H new ATOM 0 HE3 LYS A 50 28.092 -35.504 10.039 1.00 63.23 H new ATOM 0 HZ1 LYS A 50 29.220 -37.037 8.567 1.00 34.21 H new ATOM 0 HZ2 LYS A 50 29.611 -35.438 8.151 1.00 34.21 H new ATOM 0 HZ3 LYS A 50 30.732 -36.394 8.995 1.00 34.21 H new ATOM 812 N THR A 51 25.893 -33.907 14.770 1.00 50.21 N ATOM 813 CA THR A 51 25.564 -34.914 15.785 1.00 0.10 C ATOM 814 C THR A 51 24.212 -35.573 15.486 1.00 43.13 C ATOM 815 O THR A 51 23.275 -34.911 15.033 1.00 4.13 O ATOM 816 CB THR A 51 25.508 -34.306 17.208 1.00 55.52 C ATOM 817 OG1 THR A 51 24.452 -33.338 17.300 1.00 72.23 O ATOM 818 CG2 THR A 51 26.832 -33.650 17.590 1.00 62.14 C ATOM 0 H THR A 51 25.120 -33.284 14.534 1.00 50.21 H new ATOM 0 HA THR A 51 26.359 -35.658 15.748 1.00 0.10 H new ATOM 0 HB THR A 51 25.315 -35.123 17.903 1.00 55.52 H new ATOM 0 HG1 THR A 51 24.324 -33.082 18.237 1.00 72.23 H new ATOM 0 HG21 THR A 51 26.756 -33.234 18.595 1.00 62.14 H new ATOM 0 HG22 THR A 51 27.628 -34.395 17.565 1.00 62.14 H new ATOM 0 HG23 THR A 51 27.060 -32.852 16.883 1.00 62.14 H new ATOM 826 N LEU A 52 24.109 -36.875 15.748 1.00 13.51 N ATOM 827 CA LEU A 52 22.856 -37.614 15.529 1.00 31.45 C ATOM 828 C LEU A 52 21.873 -37.387 16.690 1.00 60.21 C ATOM 829 O LEU A 52 20.722 -37.823 16.648 1.00 23.14 O ATOM 830 CB LEU A 52 23.132 -39.119 15.345 1.00 42.40 C ATOM 831 CG LEU A 52 23.985 -39.501 14.117 1.00 22.40 C ATOM 832 CD1 LEU A 52 23.435 -38.849 12.849 1.00 11.45 C ATOM 833 CD2 LEU A 52 25.458 -39.144 14.328 1.00 60.15 C ATOM 0 H LEU A 52 24.874 -37.444 16.112 1.00 13.51 H new ATOM 0 HA LEU A 52 22.400 -37.233 14.615 1.00 31.45 H new ATOM 0 HB2 LEU A 52 23.632 -39.489 16.240 1.00 42.40 H new ATOM 0 HB3 LEU A 52 22.176 -39.638 15.275 1.00 42.40 H new ATOM 0 HG LEU A 52 23.925 -40.582 13.993 1.00 22.40 H new ATOM 0 HD11 LEU A 52 24.052 -39.133 11.997 1.00 11.45 H new ATOM 0 HD12 LEU A 52 22.411 -39.184 12.683 1.00 11.45 H new ATOM 0 HD13 LEU A 52 23.449 -37.765 12.962 1.00 11.45 H new ATOM 0 HD21 LEU A 52 26.031 -39.426 13.445 1.00 60.15 H new ATOM 0 HD22 LEU A 52 25.552 -38.071 14.494 1.00 60.15 H new ATOM 0 HD23 LEU A 52 25.842 -39.680 15.196 1.00 60.15 H new ATOM 845 N ARG A 53 22.344 -36.699 17.730 1.00 52.10 N ATOM 846 CA ARG A 53 21.499 -36.303 18.862 1.00 75.52 C ATOM 847 C ARG A 53 20.704 -35.018 18.547 1.00 21.01 C ATOM 848 O ARG A 53 20.059 -34.442 19.429 1.00 70.34 O ATOM 849 CB ARG A 53 22.372 -36.071 20.104 1.00 54.24 C ATOM 850 CG ARG A 53 23.160 -37.295 20.572 1.00 15.11 C ATOM 851 CD ARG A 53 22.247 -38.426 21.031 1.00 72.22 C ATOM 852 NE ARG A 53 22.990 -39.497 21.697 1.00 34.34 N ATOM 853 CZ ARG A 53 22.431 -40.510 22.306 1.00 22.11 C ATOM 854 NH1 ARG A 53 21.142 -40.656 22.304 1.00 61.31 N ATOM 855 NH2 ARG A 53 23.165 -41.382 22.919 1.00 54.55 N ATOM 0 H ARG A 53 23.316 -36.401 17.814 1.00 52.10 H new ATOM 0 HA ARG A 53 20.789 -37.108 19.050 1.00 75.52 H new ATOM 0 HB2 ARG A 53 23.073 -35.264 19.892 1.00 54.24 H new ATOM 0 HB3 ARG A 53 21.734 -35.733 20.921 1.00 54.24 H new ATOM 0 HG2 ARG A 53 23.794 -37.649 19.759 1.00 15.11 H new ATOM 0 HG3 ARG A 53 23.821 -37.009 21.390 1.00 15.11 H new ATOM 0 HD2 ARG A 53 21.494 -38.030 21.712 1.00 72.22 H new ATOM 0 HD3 ARG A 53 21.716 -38.834 20.171 1.00 72.22 H new ATOM 0 HE ARG A 53 24.009 -39.450 21.685 1.00 34.34 H new ATOM 0 HH11 ARG A 53 20.552 -39.976 21.824 1.00 61.31 H new ATOM 0 HH12 ARG A 53 20.718 -41.451 22.783 1.00 61.31 H new ATOM 0 HH21 ARG A 53 24.180 -41.279 22.927 1.00 54.55 H new ATOM 0 HH22 ARG A 53 22.729 -42.172 23.394 1.00 54.55 H new ATOM 869 N GLY A 54 20.756 -34.581 17.288 1.00 53.40 N ATOM 870 CA GLY A 54 20.084 -33.354 16.877 1.00 11.34 C ATOM 871 C GLY A 54 18.564 -33.434 16.959 1.00 51.14 C ATOM 872 O GLY A 54 17.931 -34.190 16.216 1.00 73.52 O ATOM 0 H GLY A 54 21.256 -35.059 16.539 1.00 53.40 H new ATOM 0 HA2 GLY A 54 20.431 -32.532 17.504 1.00 11.34 H new ATOM 0 HA3 GLY A 54 20.372 -33.117 15.853 1.00 11.34 H new ATOM 876 N THR A 55 17.983 -32.641 17.856 1.00 42.52 N ATOM 877 CA THR A 55 16.531 -32.620 18.065 1.00 43.40 C ATOM 878 C THR A 55 15.794 -32.062 16.838 1.00 71.20 C ATOM 879 O THR A 55 16.204 -31.055 16.259 1.00 14.14 O ATOM 880 CB THR A 55 16.158 -31.770 19.305 1.00 31.53 C ATOM 881 OG1 THR A 55 16.895 -32.223 20.452 1.00 24.25 O ATOM 882 CG2 THR A 55 14.662 -31.846 19.604 1.00 30.30 C ATOM 0 H THR A 55 18.498 -31.997 18.457 1.00 42.52 H new ATOM 0 HA THR A 55 16.221 -33.653 18.227 1.00 43.40 H new ATOM 0 HB THR A 55 16.414 -30.733 19.085 1.00 31.53 H new ATOM 0 HG1 THR A 55 16.655 -31.679 21.231 1.00 24.25 H new ATOM 0 HG21 THR A 55 14.435 -31.238 20.480 1.00 30.30 H new ATOM 0 HG22 THR A 55 14.100 -31.473 18.748 1.00 30.30 H new ATOM 0 HG23 THR A 55 14.382 -32.881 19.798 1.00 30.30 H new ATOM 890 N THR A 56 14.707 -32.718 16.446 1.00 1.50 N ATOM 891 CA THR A 56 13.939 -32.301 15.267 1.00 10.14 C ATOM 892 C THR A 56 12.792 -31.348 15.631 1.00 35.50 C ATOM 893 O THR A 56 11.889 -31.701 16.392 1.00 13.11 O ATOM 894 CB THR A 56 13.354 -33.519 14.516 1.00 3.35 C ATOM 895 OG1 THR A 56 14.413 -34.376 14.062 1.00 71.53 O ATOM 896 CG2 THR A 56 12.507 -33.085 13.326 1.00 45.31 C ATOM 0 H THR A 56 14.335 -33.539 16.923 1.00 1.50 H new ATOM 0 HA THR A 56 14.641 -31.775 14.620 1.00 10.14 H new ATOM 0 HB THR A 56 12.715 -34.062 15.213 1.00 3.35 H new ATOM 0 HG1 THR A 56 14.032 -35.145 13.589 1.00 71.53 H new ATOM 0 HG21 THR A 56 12.111 -33.966 12.821 1.00 45.31 H new ATOM 0 HG22 THR A 56 11.681 -32.465 13.674 1.00 45.31 H new ATOM 0 HG23 THR A 56 13.122 -32.513 12.631 1.00 45.31 H new ATOM 904 N TRP A 57 12.829 -30.143 15.071 1.00 35.02 N ATOM 905 CA TRP A 57 11.776 -29.146 15.295 1.00 72.44 C ATOM 906 C TRP A 57 10.853 -29.050 14.069 1.00 71.23 C ATOM 907 O TRP A 57 11.312 -28.805 12.949 1.00 40.22 O ATOM 908 CB TRP A 57 12.399 -27.780 15.610 1.00 41.44 C ATOM 909 CG TRP A 57 13.244 -27.785 16.857 1.00 34.33 C ATOM 910 CD1 TRP A 57 14.430 -28.435 17.037 1.00 2.31 C ATOM 911 CD2 TRP A 57 12.965 -27.116 18.095 1.00 12.20 C ATOM 912 NE1 TRP A 57 14.911 -28.203 18.300 1.00 3.14 N ATOM 913 CE2 TRP A 57 14.030 -27.400 18.970 1.00 30.40 C ATOM 914 CE3 TRP A 57 11.923 -26.302 18.546 1.00 51.20 C ATOM 915 CZ2 TRP A 57 14.082 -26.903 20.269 1.00 44.01 C ATOM 916 CZ3 TRP A 57 11.974 -25.809 19.836 1.00 70.24 C ATOM 917 CH2 TRP A 57 13.048 -26.110 20.685 1.00 23.10 C ATOM 0 H TRP A 57 13.579 -29.828 14.455 1.00 35.02 H new ATOM 0 HA TRP A 57 11.176 -29.460 16.149 1.00 72.44 H new ATOM 0 HB2 TRP A 57 13.011 -27.464 14.765 1.00 41.44 H new ATOM 0 HB3 TRP A 57 11.604 -27.042 15.721 1.00 41.44 H new ATOM 0 HD1 TRP A 57 14.920 -29.045 16.292 1.00 2.31 H new ATOM 0 HE1 TRP A 57 15.784 -28.570 18.678 1.00 3.14 H new ATOM 0 HE3 TRP A 57 11.093 -26.062 17.898 1.00 51.20 H new ATOM 0 HZ2 TRP A 57 14.908 -27.135 20.924 1.00 44.01 H new ATOM 0 HZ3 TRP A 57 11.173 -25.181 20.196 1.00 70.24 H new ATOM 0 HH2 TRP A 57 13.059 -25.708 21.687 1.00 23.10 H new ATOM 928 N TYR A 58 9.557 -29.252 14.288 1.00 1.32 N ATOM 929 CA TYR A 58 8.571 -29.272 13.200 1.00 12.33 C ATOM 930 C TYR A 58 7.900 -27.902 13.008 1.00 64.34 C ATOM 931 O TYR A 58 7.758 -27.128 13.956 1.00 3.53 O ATOM 932 CB TYR A 58 7.507 -30.341 13.487 1.00 10.24 C ATOM 933 CG TYR A 58 8.088 -31.723 13.739 1.00 30.00 C ATOM 934 CD1 TYR A 58 8.425 -32.563 12.681 1.00 12.32 C ATOM 935 CD2 TYR A 58 8.308 -32.186 15.035 1.00 65.01 C ATOM 936 CE1 TYR A 58 8.959 -33.818 12.906 1.00 13.22 C ATOM 937 CE2 TYR A 58 8.844 -33.441 15.264 1.00 50.24 C ATOM 938 CZ TYR A 58 9.166 -34.253 14.196 1.00 61.12 C ATOM 939 OH TYR A 58 9.704 -35.503 14.416 1.00 10.22 O ATOM 0 H TYR A 58 9.158 -29.406 15.214 1.00 1.32 H new ATOM 0 HA TYR A 58 9.098 -29.512 12.276 1.00 12.33 H new ATOM 0 HB2 TYR A 58 6.923 -30.037 14.356 1.00 10.24 H new ATOM 0 HB3 TYR A 58 6.819 -30.393 12.643 1.00 10.24 H new ATOM 0 HD1 TYR A 58 8.266 -32.228 11.667 1.00 12.32 H new ATOM 0 HD2 TYR A 58 8.056 -31.555 15.874 1.00 65.01 H new ATOM 0 HE1 TYR A 58 9.213 -34.456 12.072 1.00 13.22 H new ATOM 0 HE2 TYR A 58 9.010 -33.784 16.275 1.00 50.24 H new ATOM 0 HH TYR A 58 10.009 -35.569 15.345 1.00 10.22 H new ATOM 949 N ASN A 59 7.485 -27.617 11.771 1.00 33.15 N ATOM 950 CA ASN A 59 6.806 -26.353 11.445 1.00 75.10 C ATOM 951 C ASN A 59 5.278 -26.481 11.544 1.00 51.33 C ATOM 952 O ASN A 59 4.645 -27.164 10.732 1.00 52.14 O ATOM 953 CB ASN A 59 7.186 -25.885 10.035 1.00 74.53 C ATOM 954 CG ASN A 59 8.635 -25.465 9.934 1.00 70.32 C ATOM 955 OD1 ASN A 59 9.504 -26.403 9.630 1.00 3.53 O flip ATOM 956 ND2 ASN A 59 8.969 -24.302 10.126 1.00 73.23 N flip ATOM 0 H ASN A 59 7.606 -28.243 10.975 1.00 33.15 H new ATOM 0 HA ASN A 59 7.136 -25.616 12.178 1.00 75.10 H new ATOM 0 HB2 ASN A 59 6.994 -26.689 9.325 1.00 74.53 H new ATOM 0 HB3 ASN A 59 6.548 -25.049 9.749 1.00 74.53 H new ATOM 0 HD21 ASN A 59 8.266 -23.601 10.360 1.00 73.23 H new ATOM 0 HD22 ASN A 59 9.950 -24.034 10.052 1.00 73.23 H new ATOM 963 N TYR A 60 4.695 -25.800 12.526 1.00 13.43 N ATOM 964 CA TYR A 60 3.241 -25.812 12.736 1.00 44.35 C ATOM 965 C TYR A 60 2.454 -25.360 11.474 1.00 35.41 C ATOM 966 O TYR A 60 1.527 -26.052 11.048 1.00 21.00 O ATOM 967 CB TYR A 60 2.893 -24.935 13.950 1.00 22.41 C ATOM 968 CG TYR A 60 1.444 -25.011 14.391 1.00 51.22 C ATOM 969 CD1 TYR A 60 0.965 -26.124 15.073 1.00 41.42 C ATOM 970 CD2 TYR A 60 0.561 -23.962 14.145 1.00 22.24 C ATOM 971 CE1 TYR A 60 -0.349 -26.192 15.493 1.00 34.44 C ATOM 972 CE2 TYR A 60 -0.755 -24.026 14.562 1.00 51.10 C ATOM 973 CZ TYR A 60 -1.204 -25.142 15.236 1.00 75.22 C ATOM 974 OH TYR A 60 -2.515 -25.209 15.660 1.00 11.22 O ATOM 0 H TYR A 60 5.207 -25.227 13.197 1.00 13.43 H new ATOM 0 HA TYR A 60 2.937 -26.840 12.931 1.00 44.35 H new ATOM 0 HB2 TYR A 60 3.529 -25.226 14.786 1.00 22.41 H new ATOM 0 HB3 TYR A 60 3.133 -23.898 13.713 1.00 22.41 H new ATOM 0 HD1 TYR A 60 1.631 -26.949 15.278 1.00 41.42 H new ATOM 0 HD2 TYR A 60 0.910 -23.085 13.620 1.00 22.24 H new ATOM 0 HE1 TYR A 60 -0.705 -27.064 16.021 1.00 34.44 H new ATOM 0 HE2 TYR A 60 -1.428 -23.206 14.361 1.00 51.10 H new ATOM 0 HH TYR A 60 -2.596 -25.882 16.368 1.00 11.22 H new ATOM 984 N PRO A 61 2.804 -24.203 10.843 1.00 14.35 N ATOM 985 CA PRO A 61 2.114 -23.731 9.619 1.00 52.42 C ATOM 986 C PRO A 61 2.124 -24.770 8.484 1.00 13.21 C ATOM 987 O PRO A 61 1.121 -24.960 7.792 1.00 44.11 O ATOM 988 CB PRO A 61 2.917 -22.485 9.213 1.00 61.25 C ATOM 989 CG PRO A 61 3.546 -22.015 10.477 1.00 33.31 C ATOM 990 CD PRO A 61 3.865 -23.261 11.260 1.00 4.22 C ATOM 0 HA PRO A 61 1.058 -23.537 9.806 1.00 52.42 H new ATOM 0 HB2 PRO A 61 3.669 -22.726 8.462 1.00 61.25 H new ATOM 0 HB3 PRO A 61 2.271 -21.720 8.783 1.00 61.25 H new ATOM 0 HG2 PRO A 61 4.448 -21.438 10.275 1.00 33.31 H new ATOM 0 HG3 PRO A 61 2.870 -21.365 11.033 1.00 33.31 H new ATOM 0 HD2 PRO A 61 4.858 -23.642 11.023 1.00 4.22 H new ATOM 0 HD3 PRO A 61 3.842 -23.078 12.334 1.00 4.22 H new ATOM 998 N GLU A 62 3.266 -25.437 8.299 1.00 51.01 N ATOM 999 CA GLU A 62 3.407 -26.492 7.282 1.00 14.44 C ATOM 1000 C GLU A 62 2.457 -27.668 7.551 1.00 34.12 C ATOM 1001 O GLU A 62 1.795 -28.182 6.645 1.00 21.21 O ATOM 1002 CB GLU A 62 4.856 -27.007 7.259 1.00 13.15 C ATOM 1003 CG GLU A 62 5.870 -26.003 6.722 1.00 23.14 C ATOM 1004 CD GLU A 62 5.699 -25.743 5.235 1.00 34.43 C ATOM 1005 OE1 GLU A 62 6.166 -26.574 4.427 1.00 74.30 O ATOM 1006 OE2 GLU A 62 5.094 -24.716 4.868 1.00 25.44 O ATOM 0 H GLU A 62 4.113 -25.267 8.841 1.00 51.01 H new ATOM 0 HA GLU A 62 3.149 -26.056 6.317 1.00 14.44 H new ATOM 0 HB2 GLU A 62 5.144 -27.291 8.271 1.00 13.15 H new ATOM 0 HB3 GLU A 62 4.899 -27.910 6.650 1.00 13.15 H new ATOM 0 HG2 GLU A 62 5.770 -25.064 7.266 1.00 23.14 H new ATOM 0 HG3 GLU A 62 6.878 -26.374 6.909 1.00 23.14 H new ATOM 1013 N ILE A 63 2.402 -28.086 8.807 1.00 25.43 N ATOM 1014 CA ILE A 63 1.587 -29.228 9.216 1.00 64.31 C ATOM 1015 C ILE A 63 0.083 -28.919 9.121 1.00 22.43 C ATOM 1016 O ILE A 63 -0.681 -29.704 8.561 1.00 71.22 O ATOM 1017 CB ILE A 63 1.967 -29.665 10.648 1.00 2.15 C ATOM 1018 CG1 ILE A 63 3.438 -30.121 10.663 1.00 13.44 C ATOM 1019 CG2 ILE A 63 1.034 -30.766 11.158 1.00 45.00 C ATOM 1020 CD1 ILE A 63 3.965 -30.470 12.035 1.00 71.51 C ATOM 0 H ILE A 63 2.917 -27.648 9.571 1.00 25.43 H new ATOM 0 HA ILE A 63 1.791 -30.049 8.529 1.00 64.31 H new ATOM 0 HB ILE A 63 1.852 -28.818 11.324 1.00 2.15 H new ATOM 0 HG12 ILE A 63 3.544 -30.990 10.014 1.00 13.44 H new ATOM 0 HG13 ILE A 63 4.056 -29.330 10.239 1.00 13.44 H new ATOM 0 HG21 ILE A 63 1.327 -31.052 12.168 1.00 45.00 H new ATOM 0 HG22 ILE A 63 0.008 -30.398 11.168 1.00 45.00 H new ATOM 0 HG23 ILE A 63 1.102 -31.633 10.501 1.00 45.00 H new ATOM 0 HD11 ILE A 63 5.007 -30.781 11.956 1.00 71.51 H new ATOM 0 HD12 ILE A 63 3.895 -29.598 12.685 1.00 71.51 H new ATOM 0 HD13 ILE A 63 3.374 -31.284 12.455 1.00 71.51 H new ATOM 1032 N ASN A 64 -0.338 -27.770 9.653 1.00 71.32 N ATOM 1033 CA ASN A 64 -1.736 -27.331 9.526 1.00 45.41 C ATOM 1034 C ASN A 64 -2.144 -27.182 8.053 1.00 22.31 C ATOM 1035 O ASN A 64 -3.306 -27.394 7.695 1.00 13.45 O ATOM 1036 CB ASN A 64 -1.968 -26.006 10.266 1.00 71.53 C ATOM 1037 CG ASN A 64 -1.941 -26.171 11.774 1.00 62.24 C ATOM 1038 OD1 ASN A 64 -1.235 -27.019 12.306 1.00 43.14 O ATOM 1039 ND2 ASN A 64 -2.712 -25.362 12.477 1.00 64.15 N ATOM 0 H ASN A 64 0.261 -27.128 10.173 1.00 71.32 H new ATOM 0 HA ASN A 64 -2.358 -28.102 9.981 1.00 45.41 H new ATOM 0 HB2 ASN A 64 -1.203 -25.289 9.968 1.00 71.53 H new ATOM 0 HB3 ASN A 64 -2.930 -25.590 9.966 1.00 71.53 H new ATOM 0 HD21 ASN A 64 -2.732 -25.432 13.494 1.00 64.15 H new ATOM 0 HD22 ASN A 64 -3.288 -24.666 12.003 1.00 64.15 H new ATOM 1046 N LYS A 65 -1.186 -26.808 7.205 1.00 50.54 N ATOM 1047 CA LYS A 65 -1.422 -26.714 5.760 1.00 25.43 C ATOM 1048 C LYS A 65 -1.706 -28.113 5.180 1.00 60.24 C ATOM 1049 O LYS A 65 -2.605 -28.290 4.357 1.00 32.04 O ATOM 1050 CB LYS A 65 -0.206 -26.059 5.066 1.00 60.21 C ATOM 1051 CG LYS A 65 -0.493 -25.463 3.683 1.00 12.31 C ATOM 1052 CD LYS A 65 -0.672 -26.520 2.593 1.00 11.03 C ATOM 1053 CE LYS A 65 0.594 -27.346 2.377 1.00 45.24 C ATOM 1054 NZ LYS A 65 0.439 -28.319 1.260 1.00 0.11 N ATOM 0 H LYS A 65 -0.238 -26.565 7.492 1.00 50.54 H new ATOM 0 HA LYS A 65 -2.295 -26.087 5.578 1.00 25.43 H new ATOM 0 HB2 LYS A 65 0.181 -25.271 5.712 1.00 60.21 H new ATOM 0 HB3 LYS A 65 0.582 -26.805 4.967 1.00 60.21 H new ATOM 0 HG2 LYS A 65 -1.394 -24.852 3.738 1.00 12.31 H new ATOM 0 HG3 LYS A 65 0.325 -24.799 3.404 1.00 12.31 H new ATOM 0 HD2 LYS A 65 -1.494 -27.182 2.863 1.00 11.03 H new ATOM 0 HD3 LYS A 65 -0.949 -26.032 1.658 1.00 11.03 H new ATOM 0 HE2 LYS A 65 1.430 -26.680 2.165 1.00 45.24 H new ATOM 0 HE3 LYS A 65 0.838 -27.882 3.294 1.00 45.24 H new ATOM 0 HZ1 LYS A 65 1.320 -28.860 1.146 1.00 0.11 H new ATOM 0 HZ2 LYS A 65 -0.342 -28.971 1.474 1.00 0.11 H new ATOM 0 HZ3 LYS A 65 0.231 -27.806 0.379 1.00 0.11 H new ATOM 1068 N PHE A 66 -0.936 -29.106 5.623 1.00 61.24 N ATOM 1069 CA PHE A 66 -1.154 -30.498 5.208 1.00 52.12 C ATOM 1070 C PHE A 66 -2.511 -31.023 5.710 1.00 44.30 C ATOM 1071 O PHE A 66 -3.337 -31.489 4.923 1.00 21.14 O ATOM 1072 CB PHE A 66 -0.020 -31.399 5.719 1.00 61.12 C ATOM 1073 CG PHE A 66 -0.240 -32.863 5.424 1.00 3.32 C ATOM 1074 CD1 PHE A 66 -0.119 -33.351 4.132 1.00 42.33 C ATOM 1075 CD2 PHE A 66 -0.584 -33.748 6.438 1.00 4.10 C ATOM 1076 CE1 PHE A 66 -0.333 -34.687 3.856 1.00 61.45 C ATOM 1077 CE2 PHE A 66 -0.800 -35.086 6.167 1.00 74.25 C ATOM 1078 CZ PHE A 66 -0.675 -35.556 4.875 1.00 52.23 C ATOM 0 H PHE A 66 -0.156 -28.977 6.268 1.00 61.24 H new ATOM 0 HA PHE A 66 -1.160 -30.521 4.118 1.00 52.12 H new ATOM 0 HB2 PHE A 66 0.919 -31.081 5.266 1.00 61.12 H new ATOM 0 HB3 PHE A 66 0.084 -31.264 6.796 1.00 61.12 H new ATOM 0 HD1 PHE A 66 0.146 -32.677 3.331 1.00 42.33 H new ATOM 0 HD2 PHE A 66 -0.684 -33.386 7.451 1.00 4.10 H new ATOM 0 HE1 PHE A 66 -0.233 -35.053 2.845 1.00 61.45 H new ATOM 0 HE2 PHE A 66 -1.066 -35.763 6.965 1.00 74.25 H new ATOM 0 HZ PHE A 66 -0.844 -36.601 4.661 1.00 52.23 H new ATOM 1088 N ILE A 67 -2.733 -30.931 7.024 1.00 20.22 N ATOM 1089 CA ILE A 67 -3.992 -31.366 7.647 1.00 44.52 C ATOM 1090 C ILE A 67 -5.210 -30.710 6.971 1.00 63.41 C ATOM 1091 O ILE A 67 -6.274 -31.326 6.837 1.00 32.33 O ATOM 1092 CB ILE A 67 -3.998 -31.040 9.166 1.00 43.23 C ATOM 1093 CG1 ILE A 67 -2.815 -31.730 9.866 1.00 34.43 C ATOM 1094 CG2 ILE A 67 -5.317 -31.461 9.810 1.00 3.12 C ATOM 1095 CD1 ILE A 67 -2.700 -31.404 11.343 1.00 53.30 C ATOM 0 H ILE A 67 -2.052 -30.556 7.684 1.00 20.22 H new ATOM 0 HA ILE A 67 -4.063 -32.445 7.514 1.00 44.52 H new ATOM 0 HB ILE A 67 -3.893 -29.961 9.282 1.00 43.23 H new ATOM 0 HG12 ILE A 67 -2.915 -32.809 9.749 1.00 34.43 H new ATOM 0 HG13 ILE A 67 -1.891 -31.440 9.367 1.00 34.43 H new ATOM 0 HG21 ILE A 67 -5.295 -31.222 10.873 1.00 3.12 H new ATOM 0 HG22 ILE A 67 -6.140 -30.928 9.335 1.00 3.12 H new ATOM 0 HG23 ILE A 67 -5.458 -32.534 9.682 1.00 3.12 H new ATOM 0 HD11 ILE A 67 -1.843 -31.928 11.766 1.00 53.30 H new ATOM 0 HD12 ILE A 67 -2.567 -30.330 11.469 1.00 53.30 H new ATOM 0 HD13 ILE A 67 -3.608 -31.720 11.857 1.00 53.30 H new ATOM 1107 N ARG A 68 -5.028 -29.467 6.526 1.00 13.30 N ATOM 1108 CA ARG A 68 -6.073 -28.714 5.818 1.00 65.22 C ATOM 1109 C ARG A 68 -6.677 -29.523 4.656 1.00 21.13 C ATOM 1110 O ARG A 68 -7.855 -29.379 4.342 1.00 5.34 O ATOM 1111 CB ARG A 68 -5.490 -27.395 5.290 1.00 53.33 C ATOM 1112 CG ARG A 68 -6.508 -26.474 4.621 1.00 33.32 C ATOM 1113 CD ARG A 68 -5.851 -25.197 4.102 1.00 2.43 C ATOM 1114 NE ARG A 68 -5.156 -24.470 5.165 1.00 33.44 N ATOM 1115 CZ ARG A 68 -4.198 -23.604 4.965 1.00 24.04 C ATOM 1116 NH1 ARG A 68 -3.817 -23.304 3.762 1.00 63.02 N ATOM 1117 NH2 ARG A 68 -3.624 -23.036 5.976 1.00 74.22 N ATOM 0 H ARG A 68 -4.156 -28.951 6.644 1.00 13.30 H new ATOM 0 HA ARG A 68 -6.875 -28.508 6.527 1.00 65.22 H new ATOM 0 HB2 ARG A 68 -5.025 -26.861 6.119 1.00 53.33 H new ATOM 0 HB3 ARG A 68 -4.700 -27.623 4.574 1.00 53.33 H new ATOM 0 HG2 ARG A 68 -6.988 -26.999 3.795 1.00 33.32 H new ATOM 0 HG3 ARG A 68 -7.292 -26.217 5.334 1.00 33.32 H new ATOM 0 HD2 ARG A 68 -5.144 -25.448 3.312 1.00 2.43 H new ATOM 0 HD3 ARG A 68 -6.610 -24.553 3.658 1.00 2.43 H new ATOM 0 HE ARG A 68 -5.439 -24.652 6.128 1.00 33.44 H new ATOM 0 HH11 ARG A 68 -4.266 -23.746 2.960 1.00 63.02 H new ATOM 0 HH12 ARG A 68 -3.068 -22.627 3.618 1.00 63.02 H new ATOM 0 HH21 ARG A 68 -3.920 -23.265 6.925 1.00 74.22 H new ATOM 0 HH22 ARG A 68 -2.876 -22.360 5.824 1.00 74.22 H new ATOM 1131 N ASP A 69 -5.865 -30.383 4.035 1.00 50.12 N ATOM 1132 CA ASP A 69 -6.324 -31.225 2.922 1.00 71.04 C ATOM 1133 C ASP A 69 -7.481 -32.147 3.352 1.00 11.51 C ATOM 1134 O ASP A 69 -8.454 -32.328 2.616 1.00 55.30 O ATOM 1135 CB ASP A 69 -5.154 -32.061 2.388 1.00 61.13 C ATOM 1136 CG ASP A 69 -5.533 -32.904 1.183 1.00 65.33 C ATOM 1137 OD1 ASP A 69 -6.002 -34.051 1.370 1.00 44.51 O ATOM 1138 OD2 ASP A 69 -5.362 -32.431 0.042 1.00 21.21 O ATOM 0 H ASP A 69 -4.885 -30.516 4.283 1.00 50.12 H new ATOM 0 HA ASP A 69 -6.696 -30.571 2.133 1.00 71.04 H new ATOM 0 HB2 ASP A 69 -4.333 -31.397 2.117 1.00 61.13 H new ATOM 0 HB3 ASP A 69 -4.788 -32.713 3.181 1.00 61.13 H new ATOM 1143 N SER A 70 -7.370 -32.724 4.547 1.00 15.14 N ATOM 1144 CA SER A 70 -8.405 -33.628 5.075 1.00 4.33 C ATOM 1145 C SER A 70 -9.663 -32.858 5.493 1.00 64.31 C ATOM 1146 O SER A 70 -10.783 -33.343 5.322 1.00 54.13 O ATOM 1147 CB SER A 70 -7.862 -34.439 6.260 1.00 23.14 C ATOM 1148 OG SER A 70 -6.803 -35.294 5.848 1.00 44.05 O ATOM 0 H SER A 70 -6.576 -32.585 5.172 1.00 15.14 H new ATOM 0 HA SER A 70 -8.681 -34.314 4.274 1.00 4.33 H new ATOM 0 HB2 SER A 70 -7.507 -33.762 7.037 1.00 23.14 H new ATOM 0 HB3 SER A 70 -8.665 -35.033 6.698 1.00 23.14 H new ATOM 0 HG SER A 70 -6.472 -35.799 6.619 1.00 44.05 H new ATOM 1154 N LEU A 71 -9.472 -31.661 6.049 1.00 44.20 N ATOM 1155 CA LEU A 71 -10.594 -30.775 6.395 1.00 51.25 C ATOM 1156 C LEU A 71 -11.330 -30.312 5.129 1.00 13.11 C ATOM 1157 O LEU A 71 -12.563 -30.287 5.076 1.00 2.44 O ATOM 1158 CB LEU A 71 -10.099 -29.553 7.189 1.00 20.34 C ATOM 1159 CG LEU A 71 -9.755 -29.804 8.672 1.00 4.21 C ATOM 1160 CD1 LEU A 71 -8.699 -30.894 8.825 1.00 45.42 C ATOM 1161 CD2 LEU A 71 -9.289 -28.510 9.337 1.00 74.44 C ATOM 0 H LEU A 71 -8.553 -31.279 6.271 1.00 44.20 H new ATOM 0 HA LEU A 71 -11.287 -31.340 7.018 1.00 51.25 H new ATOM 0 HB2 LEU A 71 -9.213 -29.157 6.693 1.00 20.34 H new ATOM 0 HB3 LEU A 71 -10.864 -28.779 7.140 1.00 20.34 H new ATOM 0 HG LEU A 71 -10.661 -30.149 9.170 1.00 4.21 H new ATOM 0 HD11 LEU A 71 -8.481 -31.044 9.882 1.00 45.42 H new ATOM 0 HD12 LEU A 71 -9.071 -31.824 8.396 1.00 45.42 H new ATOM 0 HD13 LEU A 71 -7.789 -30.594 8.306 1.00 45.42 H new ATOM 0 HD21 LEU A 71 -9.050 -28.704 10.383 1.00 74.44 H new ATOM 0 HD22 LEU A 71 -8.402 -28.137 8.825 1.00 74.44 H new ATOM 0 HD23 LEU A 71 -10.082 -27.765 9.278 1.00 74.44 H new ATOM 1173 N GLU A 72 -10.560 -29.939 4.115 1.00 54.23 N ATOM 1174 CA GLU A 72 -11.104 -29.592 2.806 1.00 50.32 C ATOM 1175 C GLU A 72 -11.413 -30.870 2.012 1.00 23.32 C ATOM 1176 O GLU A 72 -10.840 -31.114 0.954 1.00 45.14 O ATOM 1177 CB GLU A 72 -10.105 -28.710 2.040 1.00 24.35 C ATOM 1178 CG GLU A 72 -9.761 -27.400 2.746 1.00 52.25 C ATOM 1179 CD GLU A 72 -10.970 -26.496 2.918 1.00 24.52 C ATOM 1180 OE1 GLU A 72 -11.386 -25.869 1.923 1.00 41.41 O ATOM 1181 OE2 GLU A 72 -11.517 -26.418 4.039 1.00 55.41 O ATOM 0 H GLU A 72 -9.544 -29.868 4.175 1.00 54.23 H new ATOM 0 HA GLU A 72 -12.030 -29.033 2.939 1.00 50.32 H new ATOM 0 HB2 GLU A 72 -9.187 -29.275 1.879 1.00 24.35 H new ATOM 0 HB3 GLU A 72 -10.517 -28.483 1.057 1.00 24.35 H new ATOM 0 HG2 GLU A 72 -9.334 -27.620 3.724 1.00 52.25 H new ATOM 0 HG3 GLU A 72 -8.996 -26.873 2.175 1.00 52.25 H new ATOM 1188 N HIS A 73 -12.314 -31.688 2.554 1.00 1.22 N ATOM 1189 CA HIS A 73 -12.669 -32.985 1.962 1.00 11.33 C ATOM 1190 C HIS A 73 -12.966 -32.883 0.452 1.00 44.41 C ATOM 1191 O HIS A 73 -13.996 -32.346 0.038 1.00 53.40 O ATOM 1192 CB HIS A 73 -13.877 -33.581 2.704 1.00 74.22 C ATOM 1193 CG HIS A 73 -15.085 -32.689 2.705 1.00 3.31 C ATOM 1194 ND1 HIS A 73 -15.311 -31.498 3.311 1.00 73.43 N flip ATOM 1195 CD2 HIS A 73 -16.244 -32.987 2.020 1.00 41.41 C flip ATOM 1196 CE1 HIS A 73 -16.582 -31.109 2.982 1.00 1.24 C flip ATOM 1197 NE2 HIS A 73 -17.123 -32.023 2.204 1.00 72.04 N flip ATOM 0 H HIS A 73 -12.820 -31.475 3.414 1.00 1.22 H new ATOM 0 HA HIS A 73 -11.807 -33.642 2.072 1.00 11.33 H new ATOM 0 HB2 HIS A 73 -14.140 -34.534 2.245 1.00 74.22 H new ATOM 0 HB3 HIS A 73 -13.591 -33.792 3.734 1.00 74.22 H new ATOM 0 HD2 HIS A 73 -16.406 -33.873 1.425 1.00 41.41 H new ATOM 0 HE1 HIS A 73 -17.063 -30.199 3.308 1.00 1.24 H new ATOM 0 HE2 HIS A 73 -18.063 -31.990 1.810 1.00 72.04 H new ATOM 1206 N HIS A 74 -12.042 -33.381 -0.367 1.00 51.41 N ATOM 1207 CA HIS A 74 -12.237 -33.418 -1.819 1.00 42.35 C ATOM 1208 C HIS A 74 -11.861 -34.789 -2.397 1.00 32.33 C ATOM 1209 O HIS A 74 -10.795 -35.336 -2.097 1.00 2.12 O ATOM 1210 CB HIS A 74 -11.440 -32.295 -2.504 1.00 30.24 C ATOM 1211 CG HIS A 74 -9.992 -32.215 -2.107 1.00 71.21 C ATOM 1212 ND1 HIS A 74 -9.513 -31.269 -1.232 1.00 24.21 N ATOM 1213 CD2 HIS A 74 -8.913 -32.951 -2.478 1.00 11.33 C ATOM 1214 CE1 HIS A 74 -8.214 -31.420 -1.081 1.00 22.52 C ATOM 1215 NE2 HIS A 74 -7.821 -32.432 -1.824 1.00 51.43 N ATOM 0 H HIS A 74 -11.151 -33.765 -0.053 1.00 51.41 H new ATOM 0 HA HIS A 74 -13.296 -33.255 -2.018 1.00 42.35 H new ATOM 0 HB2 HIS A 74 -11.499 -32.434 -3.584 1.00 30.24 H new ATOM 0 HB3 HIS A 74 -11.917 -31.341 -2.279 1.00 30.24 H new ATOM 0 HD1 HIS A 74 -10.079 -30.557 -0.770 1.00 24.21 H new ATOM 0 HD2 HIS A 74 -8.913 -33.788 -3.160 1.00 11.33 H new ATOM 0 HE1 HIS A 74 -7.578 -30.815 -0.453 1.00 22.52 H new ATOM 1224 N HIS A 75 -12.753 -35.345 -3.217 1.00 11.21 N ATOM 1225 CA HIS A 75 -12.544 -36.661 -3.831 1.00 31.53 C ATOM 1226 C HIS A 75 -11.343 -36.640 -4.794 1.00 43.14 C ATOM 1227 O HIS A 75 -11.486 -36.351 -5.983 1.00 64.04 O ATOM 1228 CB HIS A 75 -13.818 -37.104 -4.569 1.00 10.21 C ATOM 1229 CG HIS A 75 -13.748 -38.493 -5.130 1.00 31.24 C ATOM 1230 ND1 HIS A 75 -13.532 -38.759 -6.465 1.00 22.15 N ATOM 1231 CD2 HIS A 75 -13.887 -39.700 -4.530 1.00 63.21 C ATOM 1232 CE1 HIS A 75 -13.542 -40.061 -6.660 1.00 12.01 C ATOM 1233 NE2 HIS A 75 -13.752 -40.655 -5.505 1.00 45.52 N ATOM 0 H HIS A 75 -13.635 -34.902 -3.474 1.00 11.21 H new ATOM 0 HA HIS A 75 -12.324 -37.378 -3.040 1.00 31.53 H new ATOM 0 HB2 HIS A 75 -14.663 -37.043 -3.883 1.00 10.21 H new ATOM 0 HB3 HIS A 75 -14.016 -36.405 -5.381 1.00 10.21 H new ATOM 0 HD2 HIS A 75 -14.070 -39.877 -3.480 1.00 63.21 H new ATOM 0 HE1 HIS A 75 -13.401 -40.558 -7.609 1.00 12.01 H new ATOM 0 HE2 HIS A 75 -13.806 -41.663 -5.358 1.00 45.52 H new ATOM 1242 N HIS A 76 -10.160 -36.943 -4.262 1.00 75.20 N ATOM 1243 CA HIS A 76 -8.912 -36.865 -5.031 1.00 3.53 C ATOM 1244 C HIS A 76 -8.565 -38.201 -5.709 1.00 25.51 C ATOM 1245 O HIS A 76 -7.854 -38.230 -6.711 1.00 72.12 O ATOM 1246 CB HIS A 76 -7.758 -36.415 -4.118 1.00 42.12 C ATOM 1247 CG HIS A 76 -7.448 -37.370 -3.001 1.00 0.01 C ATOM 1248 ND1 HIS A 76 -8.068 -37.323 -1.768 1.00 43.44 N ATOM 1249 CD2 HIS A 76 -6.573 -38.402 -2.934 1.00 30.10 C ATOM 1250 CE1 HIS A 76 -7.589 -38.279 -0.998 1.00 12.44 C ATOM 1251 NE2 HIS A 76 -6.684 -38.947 -1.682 1.00 55.01 N ATOM 0 H HIS A 76 -10.036 -37.247 -3.296 1.00 75.20 H new ATOM 0 HA HIS A 76 -9.059 -36.129 -5.822 1.00 3.53 H new ATOM 0 HB2 HIS A 76 -6.862 -36.279 -4.724 1.00 42.12 H new ATOM 0 HB3 HIS A 76 -8.005 -35.443 -3.692 1.00 42.12 H new ATOM 0 HD2 HIS A 76 -5.911 -38.733 -3.721 1.00 30.10 H new ATOM 0 HE1 HIS A 76 -7.888 -38.480 0.020 1.00 12.44 H new ATOM 0 HE2 HIS A 76 -6.150 -39.744 -1.335 1.00 55.01 H new ATOM 1260 N HIS A 77 -9.057 -39.306 -5.154 1.00 24.30 N ATOM 1261 CA HIS A 77 -8.764 -40.637 -5.700 1.00 55.12 C ATOM 1262 C HIS A 77 -9.998 -41.226 -6.401 1.00 65.11 C ATOM 1263 O HIS A 77 -11.029 -41.449 -5.767 1.00 3.33 O ATOM 1264 CB HIS A 77 -8.291 -41.572 -4.579 1.00 44.32 C ATOM 1265 CG HIS A 77 -7.767 -42.889 -5.068 1.00 5.41 C ATOM 1266 ND1 HIS A 77 -6.496 -43.046 -5.574 1.00 50.53 N ATOM 1267 CD2 HIS A 77 -8.343 -44.116 -5.128 1.00 14.34 C ATOM 1268 CE1 HIS A 77 -6.311 -44.302 -5.921 1.00 32.24 C ATOM 1269 NE2 HIS A 77 -7.414 -44.975 -5.662 1.00 11.42 N ATOM 0 H HIS A 77 -9.658 -39.311 -4.330 1.00 24.30 H new ATOM 0 HA HIS A 77 -7.969 -40.538 -6.440 1.00 55.12 H new ATOM 0 HB2 HIS A 77 -7.510 -41.071 -4.007 1.00 44.32 H new ATOM 0 HB3 HIS A 77 -9.121 -41.753 -3.896 1.00 44.32 H new ATOM 0 HD2 HIS A 77 -9.345 -44.370 -4.814 1.00 14.34 H new ATOM 0 HE1 HIS A 77 -5.407 -44.712 -6.347 1.00 32.24 H new ATOM 0 HE2 HIS A 77 -7.555 -45.971 -5.831 1.00 11.42 H new ATOM 1278 N HIS A 78 -9.889 -41.470 -7.709 1.00 71.20 N ATOM 1279 CA HIS A 78 -11.014 -42.013 -8.494 1.00 74.11 C ATOM 1280 C HIS A 78 -11.220 -43.527 -8.267 1.00 54.32 C ATOM 1281 O HIS A 78 -12.213 -43.905 -7.607 1.00 36.94 O ATOM 1282 CB HIS A 78 -10.842 -41.708 -9.995 1.00 30.31 C ATOM 1283 CG HIS A 78 -9.454 -41.921 -10.529 1.00 22.52 C ATOM 1284 ND1 HIS A 78 -8.833 -43.152 -10.575 1.00 5.41 N ATOM 1285 CD2 HIS A 78 -8.566 -41.041 -11.050 1.00 41.51 C ATOM 1286 CE1 HIS A 78 -7.632 -43.020 -11.098 1.00 51.25 C ATOM 1287 NE2 HIS A 78 -7.447 -41.752 -11.394 1.00 22.25 N ATOM 1288 OXT HIS A 78 -10.398 -44.331 -8.755 1.00 36.94 O ATOM 0 H HIS A 78 -9.040 -41.303 -8.250 1.00 71.20 H new ATOM 0 HA HIS A 78 -11.913 -41.511 -8.136 1.00 74.11 H new ATOM 0 HB2 HIS A 78 -11.533 -42.334 -10.560 1.00 30.31 H new ATOM 0 HB3 HIS A 78 -11.130 -40.672 -10.176 1.00 30.31 H new ATOM 0 HD1 HIS A 78 -9.241 -44.030 -10.253 1.00 5.41 H new ATOM 0 HD2 HIS A 78 -8.713 -39.978 -11.171 1.00 41.51 H new ATOM 0 HE1 HIS A 78 -6.920 -43.817 -11.257 1.00 51.25 H new TER 1297 HIS A 78