USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 840 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 91 ASN : amide:sc= 1.52 K(o=2.8,f=-8.2!) USER MOD Set 1.2: A 93 THR OG1 : rot 75:sc= 1.32 USER MOD Set 2.1: A 52 TYR OH : rot 29:sc= 0.591 USER MOD Set 2.2: A 72 ASN : amide:sc= 1.37 K(o=2,f=-7.3!) USER MOD Set 3.1: A 34 HIS : no HE2:sc= -0.878 K(o=0.87,f=-0.14) USER MOD Set 3.2: A 62 THR OG1 : rot 85:sc= 1.09 USER MOD Set 3.3: A 63 HIS : no HD1:sc= 0.66 K(o=0.87,f=-3.7!) USER MOD Set 4.1: A 53 GLN : amide:sc= -1.42 K(o=-2.7,f=-11!) USER MOD Set 4.2: A 54 LYS NZ :NH3+ 153:sc= 1.21 (180deg=-0.172) USER MOD Set 4.3: A 57 ASN : amide:sc= -2.52! C(o=-2.7!,f=-2.5!) USER MOD Set 5.1: A 32 TYR OH : rot 150:sc= 0.734 USER MOD Set 5.2: A 36 LYS NZ :NH3+ -178:sc= 0.847 (180deg=0) USER MOD Set 6.1: A 16 LYS NZ :NH3+ -164:sc= 0.204 (180deg=0) USER MOD Set 6.2: A 77 ASN : amide:sc= -0.891 K(o=-0.69,f=-2.1!) USER MOD Set 7.1: A 12 TYR OH : rot -82:sc= -1.67! USER MOD Set 7.2: A 25 LYS NZ :NH3+ -168:sc= -2.74! (180deg=-3.68!) USER MOD Single : A 3 THR OG1 : rot 145:sc= 1.25 USER MOD Single : A 7 TYR OH : rot 30:sc= -0.047 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 15 ASN : amide:sc= -0.155 K(o=-0.15,f=-1.3!) USER MOD Single : A 19 HIS :FLIP no HE2:sc= 0.464 F(o=-1.6!,f=0.46) USER MOD Single : A 21 SER OG : rot 180:sc=0.000967 USER MOD Single : A 23 SER OG : rot 180:sc= 0.015 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 HIS :FLIP no HE2:sc= 0.00466 F(o=-0.64,f=0.0047) USER MOD Single : A 28 TYR OH : rot -88:sc= 0.524 USER MOD Single : A 30 SER OG : rot 71:sc= 1.23 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= 0.215 K(o=0.21,f=-6.3!) USER MOD Single : A 41 HIS : no HD1:sc= -0.32 X(o=-0.32,f=-0.19) USER MOD Single : A 42 LYS NZ :NH3+ -171:sc= 1.24 (180deg=0.851) USER MOD Single : A 45 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0449) USER MOD Single : A 48 LYS NZ :NH3+ 163:sc= -0.106 (180deg=-0.538) USER MOD Single : A 50 THR OG1 : rot 73:sc= 1.27 USER MOD Single : A 59 TYR OH : rot 120:sc=-0.00404 USER MOD Single : A 64 SER OG : rot 180:sc=-0.00418 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.00797 USER MOD Single : A 70 LYS NZ :NH3+ 173:sc= 1.2 (180deg=1.1) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 TYR OH : rot 165:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 167:sc= -0.0453 (180deg=-0.21) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -107:sc= -0.113 (180deg=-0.292) USER MOD Single : A 99 HIS : no HD1:sc= -0.75! C(o=-0.75!,f=-6.5!) USER MOD Single : A 101 SER OG : rot -35:sc= 0.396 USER MOD ----------------------------------------------------------------- ATOM 20 N ILE A 2 4.732 6.554 12.786 1.00 73.43 N ATOM 21 CA ILE A 2 4.790 5.215 12.220 1.00 50.21 C ATOM 22 C ILE A 2 5.223 5.248 10.751 1.00 15.03 C ATOM 23 O ILE A 2 4.876 6.168 10.001 1.00 52.51 O ATOM 24 CB ILE A 2 3.422 4.496 12.356 1.00 21.45 C ATOM 25 CG1 ILE A 2 3.520 3.033 11.912 1.00 51.51 C ATOM 26 CG2 ILE A 2 2.345 5.216 11.558 1.00 4.45 C ATOM 27 CD1 ILE A 2 4.446 2.197 12.770 1.00 55.43 C ATOM 0 HA ILE A 2 5.537 4.656 12.784 1.00 50.21 H new ATOM 0 HB ILE A 2 3.144 4.517 13.410 1.00 21.45 H new ATOM 0 HG12 ILE A 2 2.524 2.590 11.929 1.00 51.51 H new ATOM 0 HG13 ILE A 2 3.866 2.998 10.879 1.00 51.51 H new ATOM 0 HG21 ILE A 2 1.396 4.691 11.671 1.00 4.45 H new ATOM 0 HG22 ILE A 2 2.241 6.237 11.926 1.00 4.45 H new ATOM 0 HG23 ILE A 2 2.625 5.237 10.505 1.00 4.45 H new ATOM 0 HD11 ILE A 2 4.464 1.174 12.395 1.00 55.43 H new ATOM 0 HD12 ILE A 2 5.452 2.615 12.733 1.00 55.43 H new ATOM 0 HD13 ILE A 2 4.089 2.200 13.800 1.00 55.43 H new ATOM 39 N THR A 3 6.007 4.255 10.364 1.00 32.43 N ATOM 40 CA THR A 3 6.434 4.088 8.986 1.00 35.25 C ATOM 41 C THR A 3 5.273 3.621 8.114 1.00 33.31 C ATOM 42 O THR A 3 4.391 2.901 8.584 1.00 34.13 O ATOM 43 CB THR A 3 7.582 3.069 8.915 1.00 43.13 C ATOM 44 OG1 THR A 3 7.419 2.096 9.959 1.00 21.24 O ATOM 45 CG2 THR A 3 8.930 3.756 9.056 1.00 31.44 C ATOM 0 H THR A 3 6.365 3.541 10.998 1.00 32.43 H new ATOM 0 HA THR A 3 6.781 5.051 8.613 1.00 35.25 H new ATOM 0 HB THR A 3 7.552 2.577 7.943 1.00 43.13 H new ATOM 0 HG1 THR A 3 7.727 1.221 9.642 1.00 21.24 H new ATOM 0 HG21 THR A 3 9.725 3.012 9.002 1.00 31.44 H new ATOM 0 HG22 THR A 3 9.055 4.480 8.251 1.00 31.44 H new ATOM 0 HG23 THR A 3 8.978 4.270 10.016 1.00 31.44 H new ATOM 53 N PHE A 4 5.272 4.031 6.851 1.00 24.30 N ATOM 54 CA PHE A 4 4.194 3.682 5.932 1.00 41.34 C ATOM 55 C PHE A 4 4.077 2.168 5.778 1.00 41.42 C ATOM 56 O PHE A 4 2.975 1.622 5.747 1.00 51.11 O ATOM 57 CB PHE A 4 4.423 4.342 4.567 1.00 74.51 C ATOM 58 CG PHE A 4 3.329 4.074 3.569 1.00 62.25 C ATOM 59 CD1 PHE A 4 2.001 4.290 3.900 1.00 61.42 C ATOM 60 CD2 PHE A 4 3.628 3.611 2.300 1.00 13.44 C ATOM 61 CE1 PHE A 4 0.994 4.050 2.986 1.00 30.30 C ATOM 62 CE2 PHE A 4 2.626 3.369 1.380 1.00 65.13 C ATOM 63 CZ PHE A 4 1.307 3.588 1.724 1.00 70.14 C ATOM 0 H PHE A 4 6.007 4.606 6.439 1.00 24.30 H new ATOM 0 HA PHE A 4 3.258 4.054 6.349 1.00 41.34 H new ATOM 0 HB2 PHE A 4 4.518 5.419 4.706 1.00 74.51 H new ATOM 0 HB3 PHE A 4 5.369 3.989 4.158 1.00 74.51 H new ATOM 0 HD1 PHE A 4 1.750 4.651 4.886 1.00 61.42 H new ATOM 0 HD2 PHE A 4 4.658 3.437 2.025 1.00 13.44 H new ATOM 0 HE1 PHE A 4 -0.037 4.224 3.258 1.00 30.30 H new ATOM 0 HE2 PHE A 4 2.874 3.009 0.393 1.00 65.13 H new ATOM 0 HZ PHE A 4 0.522 3.398 1.007 1.00 70.14 H new ATOM 73 N ALA A 5 5.222 1.498 5.709 1.00 14.35 N ATOM 74 CA ALA A 5 5.262 0.048 5.562 1.00 32.11 C ATOM 75 C ALA A 5 4.618 -0.650 6.756 1.00 45.30 C ATOM 76 O ALA A 5 3.701 -1.461 6.599 1.00 23.51 O ATOM 77 CB ALA A 5 6.701 -0.418 5.393 1.00 63.44 C ATOM 0 H ALA A 5 6.140 1.940 5.753 1.00 14.35 H new ATOM 0 HA ALA A 5 4.691 -0.218 4.672 1.00 32.11 H new ATOM 0 HB1 ALA A 5 6.722 -1.502 5.284 1.00 63.44 H new ATOM 0 HB2 ALA A 5 7.131 0.044 4.505 1.00 63.44 H new ATOM 0 HB3 ALA A 5 7.282 -0.130 6.269 1.00 63.44 H new ATOM 83 N ASP A 6 5.093 -0.318 7.947 1.00 22.13 N ATOM 84 CA ASP A 6 4.613 -0.953 9.169 1.00 22.35 C ATOM 85 C ASP A 6 3.167 -0.570 9.457 1.00 35.33 C ATOM 86 O ASP A 6 2.421 -1.345 10.059 1.00 23.43 O ATOM 87 CB ASP A 6 5.503 -0.584 10.358 1.00 3.42 C ATOM 88 CG ASP A 6 6.886 -1.199 10.268 1.00 1.54 C ATOM 89 OD1 ASP A 6 7.065 -2.342 10.744 1.00 64.43 O ATOM 90 OD2 ASP A 6 7.803 -0.542 9.727 1.00 11.31 O ATOM 0 H ASP A 6 5.813 0.389 8.095 1.00 22.13 H new ATOM 0 HA ASP A 6 4.658 -2.032 9.020 1.00 22.35 H new ATOM 0 HB2 ASP A 6 5.595 0.501 10.414 1.00 3.42 H new ATOM 0 HB3 ASP A 6 5.024 -0.912 11.281 1.00 3.42 H new ATOM 95 N TYR A 7 2.772 0.624 9.030 1.00 24.43 N ATOM 96 CA TYR A 7 1.394 1.070 9.195 1.00 54.34 C ATOM 97 C TYR A 7 0.470 0.286 8.274 1.00 12.45 C ATOM 98 O TYR A 7 -0.609 -0.136 8.685 1.00 61.51 O ATOM 99 CB TYR A 7 1.262 2.570 8.910 1.00 74.12 C ATOM 100 CG TYR A 7 -0.154 3.090 9.049 1.00 15.14 C ATOM 101 CD1 TYR A 7 -0.693 3.366 10.300 1.00 65.31 C ATOM 102 CD2 TYR A 7 -0.954 3.301 7.930 1.00 61.22 C ATOM 103 CE1 TYR A 7 -1.985 3.835 10.432 1.00 50.01 C ATOM 104 CE2 TYR A 7 -2.248 3.769 8.055 1.00 2.41 C ATOM 105 CZ TYR A 7 -2.758 4.036 9.308 1.00 31.04 C ATOM 106 OH TYR A 7 -4.045 4.503 9.441 1.00 64.13 O ATOM 0 H TYR A 7 3.383 1.298 8.569 1.00 24.43 H new ATOM 0 HA TYR A 7 1.105 0.889 10.230 1.00 54.34 H new ATOM 0 HB2 TYR A 7 1.911 3.120 9.592 1.00 74.12 H new ATOM 0 HB3 TYR A 7 1.617 2.772 7.900 1.00 74.12 H new ATOM 0 HD1 TYR A 7 -0.091 3.211 11.183 1.00 65.31 H new ATOM 0 HD2 TYR A 7 -0.557 3.095 6.947 1.00 61.22 H new ATOM 0 HE1 TYR A 7 -2.389 4.044 11.412 1.00 50.01 H new ATOM 0 HE2 TYR A 7 -2.856 3.925 7.176 1.00 2.41 H new ATOM 0 HH TYR A 7 -4.107 5.068 10.239 1.00 64.13 H new ATOM 116 N PHE A 8 0.909 0.094 7.034 1.00 24.23 N ATOM 117 CA PHE A 8 0.118 -0.612 6.033 1.00 3.44 C ATOM 118 C PHE A 8 -0.273 -1.996 6.534 1.00 43.42 C ATOM 119 O PHE A 8 -1.447 -2.372 6.504 1.00 50.22 O ATOM 120 CB PHE A 8 0.900 -0.734 4.722 1.00 12.43 C ATOM 121 CG PHE A 8 0.113 -1.371 3.609 1.00 4.14 C ATOM 122 CD1 PHE A 8 -0.817 -0.631 2.894 1.00 2.43 C ATOM 123 CD2 PHE A 8 0.301 -2.705 3.280 1.00 71.21 C ATOM 124 CE1 PHE A 8 -1.546 -1.211 1.872 1.00 51.41 C ATOM 125 CE2 PHE A 8 -0.427 -3.289 2.261 1.00 61.41 C ATOM 126 CZ PHE A 8 -1.350 -2.541 1.556 1.00 30.24 C ATOM 0 H PHE A 8 1.815 0.420 6.697 1.00 24.23 H new ATOM 0 HA PHE A 8 -0.790 -0.037 5.851 1.00 3.44 H new ATOM 0 HB2 PHE A 8 1.222 0.259 4.407 1.00 12.43 H new ATOM 0 HB3 PHE A 8 1.802 -1.320 4.900 1.00 12.43 H new ATOM 0 HD1 PHE A 8 -0.974 0.409 3.138 1.00 2.43 H new ATOM 0 HD2 PHE A 8 1.024 -3.293 3.826 1.00 71.21 H new ATOM 0 HE1 PHE A 8 -2.267 -0.625 1.322 1.00 51.41 H new ATOM 0 HE2 PHE A 8 -0.274 -4.330 2.016 1.00 61.41 H new ATOM 0 HZ PHE A 8 -1.918 -2.996 0.758 1.00 30.24 H new ATOM 136 N TYR A 9 0.713 -2.743 7.012 1.00 4.40 N ATOM 137 CA TYR A 9 0.459 -4.093 7.491 1.00 14.31 C ATOM 138 C TYR A 9 -0.408 -4.067 8.744 1.00 24.51 C ATOM 139 O TYR A 9 -1.329 -4.868 8.879 1.00 35.11 O ATOM 140 CB TYR A 9 1.767 -4.831 7.779 1.00 24.32 C ATOM 141 CG TYR A 9 1.564 -6.305 8.037 1.00 65.21 C ATOM 142 CD1 TYR A 9 1.498 -7.210 6.986 1.00 21.53 C ATOM 143 CD2 TYR A 9 1.424 -6.791 9.331 1.00 20.03 C ATOM 144 CE1 TYR A 9 1.298 -8.557 7.216 1.00 53.03 C ATOM 145 CE2 TYR A 9 1.226 -8.136 9.569 1.00 4.44 C ATOM 146 CZ TYR A 9 1.163 -9.015 8.507 1.00 43.41 C ATOM 147 OH TYR A 9 0.961 -10.356 8.737 1.00 13.21 O ATOM 0 H TYR A 9 1.685 -2.441 7.078 1.00 4.40 H new ATOM 0 HA TYR A 9 -0.074 -4.627 6.704 1.00 14.31 H new ATOM 0 HB2 TYR A 9 2.444 -4.705 6.934 1.00 24.32 H new ATOM 0 HB3 TYR A 9 2.251 -4.379 8.645 1.00 24.32 H new ATOM 0 HD1 TYR A 9 1.605 -6.855 5.972 1.00 21.53 H new ATOM 0 HD2 TYR A 9 1.471 -6.105 10.164 1.00 20.03 H new ATOM 0 HE1 TYR A 9 1.248 -9.248 6.387 1.00 53.03 H new ATOM 0 HE2 TYR A 9 1.121 -8.499 10.581 1.00 4.44 H new ATOM 0 HH TYR A 9 0.887 -10.515 9.701 1.00 13.21 H new ATOM 157 N GLN A 10 -0.117 -3.138 9.649 1.00 1.15 N ATOM 158 CA GLN A 10 -0.878 -3.013 10.890 1.00 24.52 C ATOM 159 C GLN A 10 -2.346 -2.742 10.587 1.00 72.24 C ATOM 160 O GLN A 10 -3.228 -3.453 11.066 1.00 65.53 O ATOM 161 CB GLN A 10 -0.311 -1.879 11.747 1.00 35.14 C ATOM 162 CG GLN A 10 -0.965 -1.753 13.116 1.00 72.23 C ATOM 163 CD GLN A 10 -0.423 -0.582 13.917 1.00 65.51 C ATOM 164 OE1 GLN A 10 0.729 -0.180 13.748 1.00 72.32 O ATOM 165 NE2 GLN A 10 -1.239 -0.040 14.807 1.00 34.42 N ATOM 0 H GLN A 10 0.639 -2.461 9.548 1.00 1.15 H new ATOM 0 HA GLN A 10 -0.797 -3.951 11.439 1.00 24.52 H new ATOM 0 HB2 GLN A 10 0.759 -2.038 11.880 1.00 35.14 H new ATOM 0 HB3 GLN A 10 -0.430 -0.937 11.211 1.00 35.14 H new ATOM 0 HG2 GLN A 10 -2.041 -1.636 12.991 1.00 72.23 H new ATOM 0 HG3 GLN A 10 -0.808 -2.675 13.676 1.00 72.23 H new ATOM 0 HE21 GLN A 10 -2.186 -0.402 14.917 1.00 34.42 H new ATOM 0 HE22 GLN A 10 -0.920 0.739 15.383 1.00 34.42 H new ATOM 174 N TRP A 11 -2.586 -1.720 9.773 1.00 10.22 N ATOM 175 CA TRP A 11 -3.930 -1.335 9.360 1.00 52.11 C ATOM 176 C TRP A 11 -4.676 -2.521 8.747 1.00 63.11 C ATOM 177 O TRP A 11 -5.841 -2.775 9.070 1.00 43.42 O ATOM 178 CB TRP A 11 -3.834 -0.172 8.362 1.00 13.34 C ATOM 179 CG TRP A 11 -5.037 0.002 7.486 1.00 41.24 C ATOM 180 CD1 TRP A 11 -6.233 0.563 7.826 1.00 14.23 C ATOM 181 CD2 TRP A 11 -5.145 -0.378 6.110 1.00 12.41 C ATOM 182 NE1 TRP A 11 -7.081 0.548 6.747 1.00 33.42 N ATOM 183 CE2 TRP A 11 -6.433 -0.024 5.681 1.00 21.21 C ATOM 184 CE3 TRP A 11 -4.274 -0.985 5.201 1.00 73.13 C ATOM 185 CZ2 TRP A 11 -6.874 -0.257 4.382 1.00 41.21 C ATOM 186 CZ3 TRP A 11 -4.714 -1.215 3.912 1.00 64.23 C ATOM 187 CH2 TRP A 11 -6.004 -0.851 3.513 1.00 24.10 C ATOM 0 H TRP A 11 -1.850 -1.133 9.380 1.00 10.22 H new ATOM 0 HA TRP A 11 -4.496 -1.013 10.234 1.00 52.11 H new ATOM 0 HB2 TRP A 11 -3.668 0.752 8.916 1.00 13.34 H new ATOM 0 HB3 TRP A 11 -2.960 -0.325 7.729 1.00 13.34 H new ATOM 0 HD1 TRP A 11 -6.477 0.960 8.800 1.00 14.23 H new ATOM 0 HE1 TRP A 11 -8.037 0.904 6.739 1.00 33.42 H new ATOM 0 HE3 TRP A 11 -3.276 -1.269 5.501 1.00 73.13 H new ATOM 0 HZ2 TRP A 11 -7.870 0.022 4.072 1.00 41.21 H new ATOM 0 HZ3 TRP A 11 -4.051 -1.684 3.200 1.00 64.23 H new ATOM 0 HH2 TRP A 11 -6.318 -1.043 2.498 1.00 24.10 H new ATOM 198 N TYR A 12 -3.998 -3.250 7.874 1.00 13.43 N ATOM 199 CA TYR A 12 -4.576 -4.434 7.258 1.00 44.44 C ATOM 200 C TYR A 12 -4.858 -5.514 8.304 1.00 74.52 C ATOM 201 O TYR A 12 -5.973 -6.033 8.387 1.00 0.35 O ATOM 202 CB TYR A 12 -3.636 -4.972 6.173 1.00 21.21 C ATOM 203 CG TYR A 12 -3.929 -6.397 5.763 1.00 53.43 C ATOM 204 CD1 TYR A 12 -5.095 -6.729 5.088 1.00 35.11 C ATOM 205 CD2 TYR A 12 -3.037 -7.415 6.071 1.00 13.01 C ATOM 206 CE1 TYR A 12 -5.363 -8.031 4.732 1.00 63.21 C ATOM 207 CE2 TYR A 12 -3.300 -8.721 5.721 1.00 41.35 C ATOM 208 CZ TYR A 12 -4.463 -9.026 5.052 1.00 63.35 C ATOM 209 OH TYR A 12 -4.729 -10.326 4.709 1.00 73.02 O ATOM 0 H TYR A 12 -3.045 -3.042 7.576 1.00 13.43 H new ATOM 0 HA TYR A 12 -5.525 -4.155 6.799 1.00 44.44 H new ATOM 0 HB2 TYR A 12 -3.705 -4.330 5.295 1.00 21.21 H new ATOM 0 HB3 TYR A 12 -2.609 -4.911 6.533 1.00 21.21 H new ATOM 0 HD1 TYR A 12 -5.804 -5.953 4.838 1.00 35.11 H new ATOM 0 HD2 TYR A 12 -2.122 -7.179 6.594 1.00 13.01 H new ATOM 0 HE1 TYR A 12 -6.274 -8.273 4.204 1.00 63.21 H new ATOM 0 HE2 TYR A 12 -2.597 -9.502 5.970 1.00 41.35 H new ATOM 0 HH TYR A 12 -5.326 -10.725 5.376 1.00 73.02 H new ATOM 219 N GLU A 13 -3.849 -5.819 9.110 1.00 5.44 N ATOM 220 CA GLU A 13 -3.921 -6.891 10.102 1.00 51.32 C ATOM 221 C GLU A 13 -5.056 -6.640 11.096 1.00 34.23 C ATOM 222 O GLU A 13 -5.715 -7.573 11.549 1.00 62.34 O ATOM 223 CB GLU A 13 -2.568 -6.992 10.821 1.00 33.21 C ATOM 224 CG GLU A 13 -2.254 -8.360 11.414 1.00 44.42 C ATOM 225 CD GLU A 13 -2.891 -8.595 12.766 1.00 4.21 C ATOM 226 OE1 GLU A 13 -3.161 -7.611 13.486 1.00 31.34 O ATOM 227 OE2 GLU A 13 -3.110 -9.774 13.127 1.00 74.31 O ATOM 0 H GLU A 13 -2.954 -5.330 9.096 1.00 5.44 H new ATOM 0 HA GLU A 13 -4.135 -7.836 9.602 1.00 51.32 H new ATOM 0 HB2 GLU A 13 -1.779 -6.728 10.117 1.00 33.21 H new ATOM 0 HB3 GLU A 13 -2.542 -6.252 11.621 1.00 33.21 H new ATOM 0 HG2 GLU A 13 -2.592 -9.132 10.723 1.00 44.42 H new ATOM 0 HG3 GLU A 13 -1.173 -8.467 11.507 1.00 44.42 H new ATOM 234 N VAL A 14 -5.298 -5.376 11.409 1.00 13.03 N ATOM 235 CA VAL A 14 -6.353 -5.012 12.346 1.00 3.30 C ATOM 236 C VAL A 14 -7.735 -5.063 11.693 1.00 3.32 C ATOM 237 O VAL A 14 -8.719 -5.445 12.331 1.00 45.22 O ATOM 238 CB VAL A 14 -6.126 -3.595 12.928 1.00 41.34 C ATOM 239 CG1 VAL A 14 -7.282 -3.174 13.827 1.00 12.21 C ATOM 240 CG2 VAL A 14 -4.817 -3.534 13.694 1.00 50.40 C ATOM 0 H VAL A 14 -4.779 -4.585 11.029 1.00 13.03 H new ATOM 0 HA VAL A 14 -6.315 -5.745 13.152 1.00 3.30 H new ATOM 0 HB VAL A 14 -6.076 -2.898 12.091 1.00 41.34 H new ATOM 0 HG11 VAL A 14 -7.092 -2.175 14.220 1.00 12.21 H new ATOM 0 HG12 VAL A 14 -8.207 -3.168 13.251 1.00 12.21 H new ATOM 0 HG13 VAL A 14 -7.374 -3.878 14.654 1.00 12.21 H new ATOM 0 HG21 VAL A 14 -4.676 -2.530 14.095 1.00 50.40 H new ATOM 0 HG22 VAL A 14 -4.841 -4.252 14.514 1.00 50.40 H new ATOM 0 HG23 VAL A 14 -3.992 -3.776 13.024 1.00 50.40 H new ATOM 250 N ASN A 15 -7.811 -4.708 10.418 1.00 73.30 N ATOM 251 CA ASN A 15 -9.109 -4.509 9.781 1.00 22.20 C ATOM 252 C ASN A 15 -9.432 -5.569 8.738 1.00 44.54 C ATOM 253 O ASN A 15 -10.326 -6.385 8.940 1.00 64.20 O ATOM 254 CB ASN A 15 -9.192 -3.111 9.157 1.00 22.12 C ATOM 255 CG ASN A 15 -9.738 -2.083 10.129 1.00 63.14 C ATOM 256 OD1 ASN A 15 -10.583 -2.398 10.967 1.00 14.23 O ATOM 257 ND2 ASN A 15 -9.261 -0.852 10.027 1.00 71.33 N ATOM 0 H ASN A 15 -7.006 -4.554 9.811 1.00 73.30 H new ATOM 0 HA ASN A 15 -9.857 -4.604 10.568 1.00 22.20 H new ATOM 0 HB2 ASN A 15 -8.201 -2.804 8.824 1.00 22.12 H new ATOM 0 HB3 ASN A 15 -9.828 -3.147 8.273 1.00 22.12 H new ATOM 0 HD21 ASN A 15 -9.593 -0.122 10.657 1.00 71.33 H new ATOM 0 HD22 ASN A 15 -8.561 -0.633 9.318 1.00 71.33 H new ATOM 264 N LYS A 16 -8.700 -5.567 7.634 1.00 5.42 N ATOM 265 CA LYS A 16 -9.081 -6.363 6.468 1.00 3.34 C ATOM 266 C LYS A 16 -8.700 -7.833 6.640 1.00 44.03 C ATOM 267 O LYS A 16 -9.239 -8.700 5.954 1.00 23.14 O ATOM 268 CB LYS A 16 -8.407 -5.816 5.206 1.00 20.24 C ATOM 269 CG LYS A 16 -8.335 -4.295 5.134 1.00 22.45 C ATOM 270 CD LYS A 16 -9.710 -3.639 5.169 1.00 12.23 C ATOM 271 CE LYS A 16 -9.595 -2.123 5.072 1.00 42.33 C ATOM 272 NZ LYS A 16 -10.916 -1.440 5.133 1.00 12.33 N ATOM 0 H LYS A 16 -7.842 -5.027 7.517 1.00 5.42 H new ATOM 0 HA LYS A 16 -10.164 -6.294 6.370 1.00 3.34 H new ATOM 0 HB2 LYS A 16 -7.395 -6.218 5.147 1.00 20.24 H new ATOM 0 HB3 LYS A 16 -8.947 -6.183 4.333 1.00 20.24 H new ATOM 0 HG2 LYS A 16 -7.738 -3.924 5.967 1.00 22.45 H new ATOM 0 HG3 LYS A 16 -7.821 -4.003 4.219 1.00 22.45 H new ATOM 0 HD2 LYS A 16 -10.317 -4.015 4.345 1.00 12.23 H new ATOM 0 HD3 LYS A 16 -10.223 -3.910 6.092 1.00 12.23 H new ATOM 0 HE2 LYS A 16 -8.965 -1.758 5.883 1.00 42.33 H new ATOM 0 HE3 LYS A 16 -9.098 -1.860 4.139 1.00 42.33 H new ATOM 0 HZ1 LYS A 16 -10.816 -0.461 4.797 1.00 12.33 H new ATOM 0 HZ2 LYS A 16 -11.596 -1.945 4.530 1.00 12.33 H new ATOM 0 HZ3 LYS A 16 -11.260 -1.436 6.115 1.00 12.33 H new ATOM 286 N LEU A 17 -7.786 -8.090 7.572 1.00 75.10 N ATOM 287 CA LEU A 17 -7.190 -9.415 7.768 1.00 11.40 C ATOM 288 C LEU A 17 -8.206 -10.571 7.705 1.00 55.34 C ATOM 289 O LEU A 17 -8.073 -11.452 6.855 1.00 54.10 O ATOM 290 CB LEU A 17 -6.440 -9.457 9.103 1.00 2.13 C ATOM 291 CG LEU A 17 -5.683 -10.755 9.381 1.00 54.32 C ATOM 292 CD1 LEU A 17 -4.466 -10.868 8.479 1.00 1.11 C ATOM 293 CD2 LEU A 17 -5.274 -10.835 10.839 1.00 2.14 C ATOM 0 H LEU A 17 -7.434 -7.383 8.218 1.00 75.10 H new ATOM 0 HA LEU A 17 -6.502 -9.565 6.936 1.00 11.40 H new ATOM 0 HB2 LEU A 17 -5.732 -8.629 9.130 1.00 2.13 H new ATOM 0 HB3 LEU A 17 -7.155 -9.292 9.909 1.00 2.13 H new ATOM 0 HG LEU A 17 -6.349 -11.591 9.166 1.00 54.32 H new ATOM 0 HD11 LEU A 17 -3.940 -11.799 8.692 1.00 1.11 H new ATOM 0 HD12 LEU A 17 -4.784 -10.861 7.436 1.00 1.11 H new ATOM 0 HD13 LEU A 17 -3.799 -10.025 8.660 1.00 1.11 H new ATOM 0 HD21 LEU A 17 -4.736 -11.767 11.016 1.00 2.14 H new ATOM 0 HD22 LEU A 17 -4.628 -9.992 11.082 1.00 2.14 H new ATOM 0 HD23 LEU A 17 -6.163 -10.804 11.469 1.00 2.14 H new ATOM 305 N PRO A 18 -9.234 -10.600 8.580 1.00 33.01 N ATOM 306 CA PRO A 18 -10.143 -11.743 8.671 1.00 30.45 C ATOM 307 C PRO A 18 -11.199 -11.764 7.570 1.00 55.35 C ATOM 308 O PRO A 18 -11.822 -12.796 7.315 1.00 31.43 O ATOM 309 CB PRO A 18 -10.825 -11.573 10.037 1.00 61.31 C ATOM 310 CG PRO A 18 -10.271 -10.320 10.641 1.00 50.32 C ATOM 311 CD PRO A 18 -9.610 -9.550 9.534 1.00 22.43 C ATOM 0 HA PRO A 18 -9.595 -12.678 8.559 1.00 30.45 H new ATOM 0 HB2 PRO A 18 -11.907 -11.502 9.923 1.00 61.31 H new ATOM 0 HB3 PRO A 18 -10.627 -12.432 10.678 1.00 61.31 H new ATOM 0 HG2 PRO A 18 -11.065 -9.730 11.100 1.00 50.32 H new ATOM 0 HG3 PRO A 18 -9.554 -10.556 11.427 1.00 50.32 H new ATOM 0 HD2 PRO A 18 -10.288 -8.823 9.087 1.00 22.43 H new ATOM 0 HD3 PRO A 18 -8.740 -8.998 9.890 1.00 22.43 H new ATOM 319 N HIS A 19 -11.389 -10.633 6.910 1.00 4.30 N ATOM 320 CA HIS A 19 -12.488 -10.486 5.963 1.00 51.25 C ATOM 321 C HIS A 19 -12.053 -10.839 4.549 1.00 34.23 C ATOM 322 O HIS A 19 -12.855 -11.322 3.748 1.00 12.53 O ATOM 323 CB HIS A 19 -13.035 -9.056 6.003 1.00 34.44 C ATOM 324 CG HIS A 19 -13.449 -8.622 7.374 1.00 34.34 C ATOM 325 ND1 HIS A 19 -12.774 -7.874 8.275 1.00 14.23 N flip ATOM 326 CD2 HIS A 19 -14.650 -9.002 7.917 1.00 75.21 C flip ATOM 327 CE1 HIS A 19 -13.558 -7.790 9.394 1.00 50.34 C flip ATOM 328 NE2 HIS A 19 -14.676 -8.482 9.132 1.00 74.25 N flip ATOM 0 H HIS A 19 -10.801 -9.806 7.010 1.00 4.30 H new ATOM 0 HA HIS A 19 -13.276 -11.180 6.256 1.00 51.25 H new ATOM 0 HB2 HIS A 19 -12.274 -8.372 5.627 1.00 34.44 H new ATOM 0 HB3 HIS A 19 -13.890 -8.982 5.332 1.00 34.44 H new ATOM 0 HD1 HIS A 19 -11.854 -7.452 8.146 1.00 14.23 H new ATOM 0 HD2 HIS A 19 -15.416 -9.602 7.449 1.00 75.21 H new ATOM 0 HE1 HIS A 19 -13.322 -7.268 10.310 1.00 50.34 H new ATOM 336 N VAL A 20 -10.785 -10.609 4.247 1.00 70.42 N ATOM 337 CA VAL A 20 -10.270 -10.845 2.906 1.00 63.01 C ATOM 338 C VAL A 20 -9.975 -12.326 2.672 1.00 0.32 C ATOM 339 O VAL A 20 -9.800 -13.096 3.621 1.00 1.11 O ATOM 340 CB VAL A 20 -8.996 -10.020 2.631 1.00 41.11 C ATOM 341 CG1 VAL A 20 -9.286 -8.532 2.741 1.00 32.11 C ATOM 342 CG2 VAL A 20 -7.873 -10.421 3.576 1.00 32.31 C ATOM 0 H VAL A 20 -10.094 -10.260 4.911 1.00 70.42 H new ATOM 0 HA VAL A 20 -11.050 -10.526 2.215 1.00 63.01 H new ATOM 0 HB VAL A 20 -8.670 -10.231 1.612 1.00 41.11 H new ATOM 0 HG11 VAL A 20 -8.374 -7.968 2.544 1.00 32.11 H new ATOM 0 HG12 VAL A 20 -10.049 -8.255 2.013 1.00 32.11 H new ATOM 0 HG13 VAL A 20 -9.643 -8.304 3.745 1.00 32.11 H new ATOM 0 HG21 VAL A 20 -6.986 -9.825 3.361 1.00 32.31 H new ATOM 0 HG22 VAL A 20 -8.185 -10.249 4.606 1.00 32.31 H new ATOM 0 HG23 VAL A 20 -7.642 -11.477 3.439 1.00 32.31 H new ATOM 352 N SER A 21 -9.924 -12.712 1.403 1.00 74.30 N ATOM 353 CA SER A 21 -9.644 -14.090 1.033 1.00 3.43 C ATOM 354 C SER A 21 -8.155 -14.379 1.178 1.00 23.41 C ATOM 355 O SER A 21 -7.358 -13.470 1.414 1.00 24.01 O ATOM 356 CB SER A 21 -10.085 -14.350 -0.409 1.00 24.53 C ATOM 357 OG SER A 21 -10.210 -15.739 -0.674 1.00 31.31 O ATOM 0 H SER A 21 -10.074 -12.086 0.612 1.00 74.30 H new ATOM 0 HA SER A 21 -10.201 -14.750 1.698 1.00 3.43 H new ATOM 0 HB2 SER A 21 -11.039 -13.856 -0.593 1.00 24.53 H new ATOM 0 HB3 SER A 21 -9.362 -13.911 -1.096 1.00 24.53 H new ATOM 0 HG SER A 21 -10.495 -15.871 -1.602 1.00 31.31 H new ATOM 363 N GLU A 22 -7.791 -15.641 1.014 1.00 12.54 N ATOM 364 CA GLU A 22 -6.408 -16.072 1.151 1.00 62.05 C ATOM 365 C GLU A 22 -5.547 -15.409 0.077 1.00 70.13 C ATOM 366 O GLU A 22 -4.478 -14.869 0.365 1.00 13.35 O ATOM 367 CB GLU A 22 -6.343 -17.593 1.037 1.00 11.42 C ATOM 368 CG GLU A 22 -5.268 -18.236 1.893 1.00 61.54 C ATOM 369 CD GLU A 22 -3.909 -18.285 1.221 1.00 64.40 C ATOM 370 OE1 GLU A 22 -3.789 -18.945 0.170 1.00 30.42 O ATOM 371 OE2 GLU A 22 -2.954 -17.682 1.750 1.00 51.35 O ATOM 0 H GLU A 22 -8.442 -16.392 0.783 1.00 12.54 H new ATOM 0 HA GLU A 22 -6.023 -15.774 2.126 1.00 62.05 H new ATOM 0 HB2 GLU A 22 -7.311 -18.009 1.317 1.00 11.42 H new ATOM 0 HB3 GLU A 22 -6.170 -17.861 -0.005 1.00 11.42 H new ATOM 0 HG2 GLU A 22 -5.182 -17.685 2.829 1.00 61.54 H new ATOM 0 HG3 GLU A 22 -5.576 -19.250 2.148 1.00 61.54 H new ATOM 378 N SER A 23 -6.037 -15.434 -1.156 1.00 11.11 N ATOM 379 CA SER A 23 -5.368 -14.762 -2.260 1.00 3.12 C ATOM 380 C SER A 23 -5.272 -13.258 -2.000 1.00 22.22 C ATOM 381 O SER A 23 -4.207 -12.661 -2.171 1.00 31.13 O ATOM 382 CB SER A 23 -6.117 -15.041 -3.566 1.00 10.30 C ATOM 383 OG SER A 23 -7.522 -14.913 -3.385 1.00 14.45 O ATOM 0 H SER A 23 -6.898 -15.914 -1.416 1.00 11.11 H new ATOM 0 HA SER A 23 -4.353 -15.151 -2.347 1.00 3.12 H new ATOM 0 HB2 SER A 23 -5.781 -14.348 -4.337 1.00 10.30 H new ATOM 0 HB3 SER A 23 -5.882 -16.046 -3.917 1.00 10.30 H new ATOM 0 HG SER A 23 -7.979 -15.094 -4.233 1.00 14.45 H new ATOM 389 N THR A 24 -6.382 -12.661 -1.563 1.00 53.31 N ATOM 390 CA THR A 24 -6.425 -11.236 -1.241 1.00 32.25 C ATOM 391 C THR A 24 -5.377 -10.883 -0.186 1.00 12.15 C ATOM 392 O THR A 24 -4.736 -9.834 -0.264 1.00 40.34 O ATOM 393 CB THR A 24 -7.816 -10.818 -0.724 1.00 12.44 C ATOM 394 OG1 THR A 24 -8.835 -11.295 -1.619 1.00 64.50 O ATOM 395 CG2 THR A 24 -7.913 -9.300 -0.588 1.00 44.24 C ATOM 0 H THR A 24 -7.268 -13.147 -1.424 1.00 53.31 H new ATOM 0 HA THR A 24 -6.211 -10.695 -2.163 1.00 32.25 H new ATOM 0 HB THR A 24 -7.963 -11.261 0.261 1.00 12.44 H new ATOM 0 HG1 THR A 24 -9.716 -11.028 -1.284 1.00 64.50 H new ATOM 0 HG21 THR A 24 -8.904 -9.030 -0.222 1.00 44.24 H new ATOM 0 HG22 THR A 24 -7.158 -8.949 0.115 1.00 44.24 H new ATOM 0 HG23 THR A 24 -7.747 -8.836 -1.560 1.00 44.24 H new ATOM 403 N LYS A 25 -5.211 -11.768 0.797 1.00 24.02 N ATOM 404 CA LYS A 25 -4.185 -11.596 1.818 1.00 10.24 C ATOM 405 C LYS A 25 -2.832 -11.379 1.175 1.00 74.15 C ATOM 406 O LYS A 25 -2.157 -10.391 1.437 1.00 33.24 O ATOM 407 CB LYS A 25 -4.082 -12.824 2.724 1.00 43.31 C ATOM 408 CG LYS A 25 -5.291 -13.081 3.603 1.00 41.52 C ATOM 409 CD LYS A 25 -4.946 -14.040 4.733 1.00 33.21 C ATOM 410 CE LYS A 25 -4.227 -13.341 5.889 1.00 62.43 C ATOM 411 NZ LYS A 25 -2.996 -12.612 5.462 1.00 3.40 N ATOM 0 H LYS A 25 -5.776 -12.611 0.905 1.00 24.02 H new ATOM 0 HA LYS A 25 -4.472 -10.729 2.412 1.00 10.24 H new ATOM 0 HB2 LYS A 25 -3.912 -13.702 2.101 1.00 43.31 H new ATOM 0 HB3 LYS A 25 -3.206 -12.712 3.362 1.00 43.31 H new ATOM 0 HG2 LYS A 25 -5.652 -12.139 4.017 1.00 41.52 H new ATOM 0 HG3 LYS A 25 -6.101 -13.496 3.003 1.00 41.52 H new ATOM 0 HD2 LYS A 25 -5.860 -14.504 5.104 1.00 33.21 H new ATOM 0 HD3 LYS A 25 -4.315 -14.841 4.347 1.00 33.21 H new ATOM 0 HE2 LYS A 25 -4.912 -12.638 6.362 1.00 62.43 H new ATOM 0 HE3 LYS A 25 -3.960 -14.082 6.643 1.00 62.43 H new ATOM 0 HZ1 LYS A 25 -2.448 -12.335 6.301 1.00 3.40 H new ATOM 0 HZ2 LYS A 25 -2.417 -13.231 4.860 1.00 3.40 H new ATOM 0 HZ3 LYS A 25 -3.264 -11.761 4.927 1.00 3.40 H new ATOM 425 N ARG A 26 -2.468 -12.306 0.308 1.00 30.44 N ATOM 426 CA ARG A 26 -1.143 -12.324 -0.286 1.00 3.23 C ATOM 427 C ARG A 26 -0.926 -11.112 -1.190 1.00 15.33 C ATOM 428 O ARG A 26 0.210 -10.686 -1.391 1.00 2.23 O ATOM 429 CB ARG A 26 -0.914 -13.639 -1.030 1.00 62.52 C ATOM 430 CG ARG A 26 -1.259 -14.859 -0.182 1.00 22.31 C ATOM 431 CD ARG A 26 -0.637 -14.770 1.208 1.00 75.30 C ATOM 432 NE ARG A 26 -1.175 -15.782 2.119 1.00 14.04 N ATOM 433 CZ ARG A 26 -0.953 -15.816 3.437 1.00 12.01 C ATOM 434 NH1 ARG A 26 -0.293 -14.832 4.038 1.00 23.12 N ATOM 435 NH2 ARG A 26 -1.448 -16.809 4.159 1.00 72.02 N ATOM 0 H ARG A 26 -3.077 -13.063 -0.003 1.00 30.44 H new ATOM 0 HA ARG A 26 -0.403 -12.259 0.512 1.00 3.23 H new ATOM 0 HB2 ARG A 26 -1.518 -13.649 -1.937 1.00 62.52 H new ATOM 0 HB3 ARG A 26 0.129 -13.700 -1.341 1.00 62.52 H new ATOM 0 HG2 ARG A 26 -2.342 -14.946 -0.092 1.00 22.31 H new ATOM 0 HG3 ARG A 26 -0.907 -15.762 -0.682 1.00 22.31 H new ATOM 0 HD2 ARG A 26 0.443 -14.891 1.129 1.00 75.30 H new ATOM 0 HD3 ARG A 26 -0.817 -13.778 1.622 1.00 75.30 H new ATOM 0 HE ARG A 26 -1.762 -16.514 1.719 1.00 14.04 H new ATOM 0 HH11 ARG A 26 0.050 -14.041 3.493 1.00 23.12 H new ATOM 0 HH12 ARG A 26 -0.129 -14.868 5.044 1.00 23.12 H new ATOM 0 HH21 ARG A 26 -1.995 -17.543 3.709 1.00 72.02 H new ATOM 0 HH22 ARG A 26 -1.282 -16.840 5.165 1.00 72.02 H new ATOM 449 N HIS A 27 -2.005 -10.569 -1.748 1.00 15.43 N ATOM 450 CA HIS A 27 -1.924 -9.292 -2.453 1.00 41.10 C ATOM 451 C HIS A 27 -1.418 -8.206 -1.505 1.00 61.43 C ATOM 452 O HIS A 27 -0.549 -7.409 -1.864 1.00 43.33 O ATOM 453 CB HIS A 27 -3.283 -8.882 -3.034 1.00 64.32 C ATOM 454 CG HIS A 27 -3.661 -9.615 -4.285 1.00 0.31 C ATOM 455 ND1 HIS A 27 -4.447 -10.706 -4.440 1.00 21.55 N flip ATOM 456 CD2 HIS A 27 -3.221 -9.202 -5.518 1.00 32.21 C flip ATOM 457 CE1 HIS A 27 -4.498 -10.972 -5.783 1.00 33.20 C flip ATOM 458 NE2 HIS A 27 -3.747 -10.043 -6.389 1.00 0.42 N flip ATOM 0 H HIS A 27 -2.935 -10.987 -1.727 1.00 15.43 H new ATOM 0 HA HIS A 27 -1.226 -9.411 -3.282 1.00 41.10 H new ATOM 0 HB2 HIS A 27 -4.053 -9.049 -2.281 1.00 64.32 H new ATOM 0 HB3 HIS A 27 -3.269 -7.812 -3.243 1.00 64.32 H new ATOM 0 HD1 HIS A 27 -4.912 -11.230 -3.699 1.00 21.55 H new ATOM 0 HD2 HIS A 27 -2.577 -8.362 -5.732 1.00 32.21 H new ATOM 0 HE1 HIS A 27 -5.039 -11.775 -6.261 1.00 33.20 H new ATOM 466 N TYR A 28 -1.953 -8.198 -0.285 1.00 73.03 N ATOM 467 CA TYR A 28 -1.501 -7.270 0.748 1.00 32.40 C ATOM 468 C TYR A 28 -0.066 -7.578 1.161 1.00 61.22 C ATOM 469 O TYR A 28 0.747 -6.668 1.307 1.00 75.11 O ATOM 470 CB TYR A 28 -2.413 -7.326 1.977 1.00 34.40 C ATOM 471 CG TYR A 28 -3.703 -6.547 1.839 1.00 20.24 C ATOM 472 CD1 TYR A 28 -4.847 -7.136 1.319 1.00 11.40 C ATOM 473 CD2 TYR A 28 -3.776 -5.223 2.250 1.00 31.11 C ATOM 474 CE1 TYR A 28 -6.029 -6.424 1.209 1.00 61.44 C ATOM 475 CE2 TYR A 28 -4.952 -4.506 2.147 1.00 54.35 C ATOM 476 CZ TYR A 28 -6.076 -5.110 1.626 1.00 44.33 C ATOM 477 OH TYR A 28 -7.248 -4.394 1.522 1.00 13.44 O ATOM 0 H TYR A 28 -2.701 -8.825 0.012 1.00 73.03 H new ATOM 0 HA TYR A 28 -1.543 -6.265 0.327 1.00 32.40 H new ATOM 0 HB2 TYR A 28 -2.654 -8.368 2.188 1.00 34.40 H new ATOM 0 HB3 TYR A 28 -1.864 -6.945 2.838 1.00 34.40 H new ATOM 0 HD1 TYR A 28 -4.815 -8.166 0.995 1.00 11.40 H new ATOM 0 HD2 TYR A 28 -2.897 -4.745 2.658 1.00 31.11 H new ATOM 0 HE1 TYR A 28 -6.910 -6.895 0.799 1.00 61.44 H new ATOM 0 HE2 TYR A 28 -4.991 -3.477 2.473 1.00 54.35 H new ATOM 0 HH TYR A 28 -7.295 -3.969 0.640 1.00 13.44 H new ATOM 487 N GLU A 29 0.238 -8.863 1.351 1.00 61.13 N ATOM 488 CA GLU A 29 1.603 -9.297 1.665 1.00 55.01 C ATOM 489 C GLU A 29 2.592 -8.804 0.609 1.00 14.21 C ATOM 490 O GLU A 29 3.665 -8.289 0.936 1.00 42.02 O ATOM 491 CB GLU A 29 1.684 -10.829 1.764 1.00 11.32 C ATOM 492 CG GLU A 29 1.402 -11.391 3.152 1.00 4.00 C ATOM 493 CD GLU A 29 -0.050 -11.298 3.574 1.00 22.34 C ATOM 494 OE1 GLU A 29 -0.448 -10.260 4.136 1.00 14.43 O ATOM 495 OE2 GLU A 29 -0.792 -12.283 3.367 1.00 15.14 O ATOM 0 H GLU A 29 -0.441 -9.622 1.293 1.00 61.13 H new ATOM 0 HA GLU A 29 1.868 -8.863 2.629 1.00 55.01 H new ATOM 0 HB2 GLU A 29 0.975 -11.263 1.060 1.00 11.32 H new ATOM 0 HB3 GLU A 29 2.679 -11.148 1.452 1.00 11.32 H new ATOM 0 HG2 GLU A 29 1.711 -12.436 3.179 1.00 4.00 H new ATOM 0 HG3 GLU A 29 2.015 -10.859 3.879 1.00 4.00 H new ATOM 502 N SER A 30 2.223 -8.958 -0.655 1.00 54.14 N ATOM 503 CA SER A 30 3.061 -8.516 -1.760 1.00 64.24 C ATOM 504 C SER A 30 3.195 -6.996 -1.759 1.00 74.11 C ATOM 505 O SER A 30 4.267 -6.454 -2.023 1.00 63.44 O ATOM 506 CB SER A 30 2.475 -8.996 -3.087 1.00 32.22 C ATOM 507 OG SER A 30 2.322 -10.407 -3.090 1.00 24.12 O ATOM 0 H SER A 30 1.344 -9.388 -0.941 1.00 54.14 H new ATOM 0 HA SER A 30 4.054 -8.947 -1.636 1.00 64.24 H new ATOM 0 HB2 SER A 30 1.509 -8.521 -3.256 1.00 32.22 H new ATOM 0 HB3 SER A 30 3.126 -8.695 -3.907 1.00 32.22 H new ATOM 0 HG SER A 30 1.588 -10.658 -2.491 1.00 24.12 H new ATOM 513 N ALA A 31 2.101 -6.316 -1.455 1.00 74.04 N ATOM 514 CA ALA A 31 2.112 -4.867 -1.350 1.00 54.52 C ATOM 515 C ALA A 31 3.040 -4.431 -0.224 1.00 50.24 C ATOM 516 O ALA A 31 3.917 -3.589 -0.413 1.00 25.03 O ATOM 517 CB ALA A 31 0.701 -4.352 -1.104 1.00 54.33 C ATOM 0 H ALA A 31 1.193 -6.746 -1.277 1.00 74.04 H new ATOM 0 HA ALA A 31 2.479 -4.446 -2.286 1.00 54.52 H new ATOM 0 HB1 ALA A 31 0.719 -3.265 -1.027 1.00 54.33 H new ATOM 0 HB2 ALA A 31 0.057 -4.646 -1.932 1.00 54.33 H new ATOM 0 HB3 ALA A 31 0.316 -4.775 -0.176 1.00 54.33 H new ATOM 523 N TYR A 32 2.849 -5.050 0.930 1.00 22.43 N ATOM 524 CA TYR A 32 3.607 -4.746 2.134 1.00 13.42 C ATOM 525 C TYR A 32 5.115 -4.861 1.911 1.00 34.05 C ATOM 526 O TYR A 32 5.874 -3.983 2.322 1.00 44.33 O ATOM 527 CB TYR A 32 3.150 -5.685 3.255 1.00 24.12 C ATOM 528 CG TYR A 32 3.993 -5.641 4.508 1.00 21.22 C ATOM 529 CD1 TYR A 32 4.152 -4.466 5.230 1.00 51.22 C ATOM 530 CD2 TYR A 32 4.620 -6.789 4.974 1.00 34.51 C ATOM 531 CE1 TYR A 32 4.911 -4.436 6.383 1.00 41.50 C ATOM 532 CE2 TYR A 32 5.380 -6.768 6.124 1.00 23.54 C ATOM 533 CZ TYR A 32 5.524 -5.591 6.826 1.00 13.31 C ATOM 534 OH TYR A 32 6.287 -5.574 7.974 1.00 72.34 O ATOM 0 H TYR A 32 2.155 -5.786 1.059 1.00 22.43 H new ATOM 0 HA TYR A 32 3.414 -3.710 2.413 1.00 13.42 H new ATOM 0 HB2 TYR A 32 2.121 -5.438 3.518 1.00 24.12 H new ATOM 0 HB3 TYR A 32 3.145 -6.706 2.874 1.00 24.12 H new ATOM 0 HD1 TYR A 32 3.674 -3.561 4.884 1.00 51.22 H new ATOM 0 HD2 TYR A 32 4.510 -7.713 4.427 1.00 34.51 H new ATOM 0 HE1 TYR A 32 5.024 -3.515 6.935 1.00 41.50 H new ATOM 0 HE2 TYR A 32 5.860 -7.670 6.473 1.00 23.54 H new ATOM 0 HH TYR A 32 6.248 -6.453 8.406 1.00 72.34 H new ATOM 544 N LYS A 33 5.550 -5.927 1.246 1.00 63.03 N ATOM 545 CA LYS A 33 6.977 -6.152 1.040 1.00 33.11 C ATOM 546 C LYS A 33 7.565 -5.107 0.088 1.00 64.55 C ATOM 547 O LYS A 33 8.678 -4.627 0.305 1.00 55.13 O ATOM 548 CB LYS A 33 7.251 -7.571 0.520 1.00 14.35 C ATOM 549 CG LYS A 33 6.681 -7.852 -0.859 1.00 41.11 C ATOM 550 CD LYS A 33 6.972 -9.273 -1.311 1.00 31.40 C ATOM 551 CE LYS A 33 6.343 -10.297 -0.381 1.00 1.55 C ATOM 552 NZ LYS A 33 6.523 -11.686 -0.879 1.00 34.24 N ATOM 0 H LYS A 33 4.943 -6.641 0.844 1.00 63.03 H new ATOM 0 HA LYS A 33 7.468 -6.049 2.008 1.00 33.11 H new ATOM 0 HB2 LYS A 33 8.328 -7.735 0.495 1.00 14.35 H new ATOM 0 HB3 LYS A 33 6.836 -8.290 1.226 1.00 14.35 H new ATOM 0 HG2 LYS A 33 5.604 -7.688 -0.847 1.00 41.11 H new ATOM 0 HG3 LYS A 33 7.103 -7.149 -1.577 1.00 41.11 H new ATOM 0 HD2 LYS A 33 6.593 -9.418 -2.323 1.00 31.40 H new ATOM 0 HD3 LYS A 33 8.050 -9.429 -1.349 1.00 31.40 H new ATOM 0 HE2 LYS A 33 6.787 -10.207 0.611 1.00 1.55 H new ATOM 0 HE3 LYS A 33 5.279 -10.085 -0.275 1.00 1.55 H new ATOM 0 HZ1 LYS A 33 6.079 -12.353 -0.216 1.00 34.24 H new ATOM 0 HZ2 LYS A 33 6.078 -11.780 -1.814 1.00 34.24 H new ATOM 0 HZ3 LYS A 33 7.538 -11.898 -0.956 1.00 34.24 H new ATOM 566 N HIS A 34 6.814 -4.741 -0.950 1.00 44.22 N ATOM 567 CA HIS A 34 7.270 -3.720 -1.892 1.00 1.51 C ATOM 568 C HIS A 34 7.300 -2.351 -1.224 1.00 53.52 C ATOM 569 O HIS A 34 8.225 -1.562 -1.440 1.00 11.04 O ATOM 570 CB HIS A 34 6.385 -3.673 -3.143 1.00 62.23 C ATOM 571 CG HIS A 34 6.732 -4.704 -4.175 1.00 21.42 C ATOM 572 ND1 HIS A 34 7.598 -4.480 -5.225 1.00 73.23 N ATOM 573 CD2 HIS A 34 6.302 -5.984 -4.314 1.00 71.55 C ATOM 574 CE1 HIS A 34 7.665 -5.603 -5.951 1.00 74.32 C ATOM 575 NE2 HIS A 34 6.897 -6.548 -5.440 1.00 62.42 N ATOM 0 H HIS A 34 5.895 -5.132 -1.159 1.00 44.22 H new ATOM 0 HA HIS A 34 8.280 -3.988 -2.202 1.00 1.51 H new ATOM 0 HB2 HIS A 34 5.345 -3.808 -2.845 1.00 62.23 H new ATOM 0 HB3 HIS A 34 6.462 -2.683 -3.593 1.00 62.23 H new ATOM 0 HD1 HIS A 34 8.099 -3.612 -5.415 1.00 73.23 H new ATOM 0 HD2 HIS A 34 5.608 -6.486 -3.656 1.00 71.55 H new ATOM 0 HE1 HIS A 34 8.269 -5.721 -6.839 1.00 74.32 H new ATOM 583 N ILE A 35 6.286 -2.077 -0.413 1.00 63.21 N ATOM 584 CA ILE A 35 6.220 -0.832 0.331 1.00 33.53 C ATOM 585 C ILE A 35 7.396 -0.731 1.295 1.00 13.53 C ATOM 586 O ILE A 35 8.064 0.297 1.355 1.00 53.11 O ATOM 587 CB ILE A 35 4.890 -0.700 1.108 1.00 33.55 C ATOM 588 CG1 ILE A 35 3.723 -0.565 0.126 1.00 73.00 C ATOM 589 CG2 ILE A 35 4.934 0.491 2.055 1.00 34.33 C ATOM 590 CD1 ILE A 35 2.366 -0.464 0.792 1.00 25.31 C ATOM 0 H ILE A 35 5.497 -2.704 -0.256 1.00 63.21 H new ATOM 0 HA ILE A 35 6.270 -0.015 -0.389 1.00 33.53 H new ATOM 0 HB ILE A 35 4.744 -1.600 1.706 1.00 33.55 H new ATOM 0 HG12 ILE A 35 3.881 0.320 -0.490 1.00 73.00 H new ATOM 0 HG13 ILE A 35 3.724 -1.425 -0.544 1.00 73.00 H new ATOM 0 HG21 ILE A 35 3.988 0.565 2.591 1.00 34.33 H new ATOM 0 HG22 ILE A 35 5.747 0.358 2.769 1.00 34.33 H new ATOM 0 HG23 ILE A 35 5.099 1.404 1.483 1.00 34.33 H new ATOM 0 HD11 ILE A 35 1.593 -0.371 0.030 1.00 25.31 H new ATOM 0 HD12 ILE A 35 2.185 -1.360 1.386 1.00 25.31 H new ATOM 0 HD13 ILE A 35 2.343 0.412 1.441 1.00 25.31 H new ATOM 602 N LYS A 36 7.655 -1.811 2.027 1.00 51.22 N ATOM 603 CA LYS A 36 8.773 -1.855 2.963 1.00 35.30 C ATOM 604 C LYS A 36 10.106 -1.642 2.253 1.00 62.12 C ATOM 605 O LYS A 36 10.964 -0.915 2.741 1.00 5.14 O ATOM 606 CB LYS A 36 8.808 -3.191 3.704 1.00 43.00 C ATOM 607 CG LYS A 36 10.006 -3.332 4.633 1.00 64.11 C ATOM 608 CD LYS A 36 10.031 -4.689 5.315 1.00 11.54 C ATOM 609 CE LYS A 36 8.790 -4.903 6.162 1.00 15.54 C ATOM 610 NZ LYS A 36 8.842 -6.180 6.917 1.00 1.14 N ATOM 0 H LYS A 36 7.104 -2.669 1.989 1.00 51.22 H new ATOM 0 HA LYS A 36 8.623 -1.046 3.678 1.00 35.30 H new ATOM 0 HB2 LYS A 36 7.892 -3.301 4.284 1.00 43.00 H new ATOM 0 HB3 LYS A 36 8.824 -4.002 2.976 1.00 43.00 H new ATOM 0 HG2 LYS A 36 10.926 -3.193 4.065 1.00 64.11 H new ATOM 0 HG3 LYS A 36 9.976 -2.546 5.388 1.00 64.11 H new ATOM 0 HD2 LYS A 36 10.101 -5.475 4.563 1.00 11.54 H new ATOM 0 HD3 LYS A 36 10.920 -4.767 5.941 1.00 11.54 H new ATOM 0 HE2 LYS A 36 8.681 -4.074 6.861 1.00 15.54 H new ATOM 0 HE3 LYS A 36 7.909 -4.897 5.521 1.00 15.54 H new ATOM 0 HZ1 LYS A 36 7.960 -6.301 7.455 1.00 1.14 H new ATOM 0 HZ2 LYS A 36 8.954 -6.972 6.252 1.00 1.14 H new ATOM 0 HZ3 LYS A 36 9.648 -6.163 7.573 1.00 1.14 H new ATOM 624 N ASP A 37 10.267 -2.279 1.103 1.00 73.23 N ATOM 625 CA ASP A 37 11.527 -2.232 0.362 1.00 41.42 C ATOM 626 C ASP A 37 11.834 -0.820 -0.139 1.00 51.02 C ATOM 627 O ASP A 37 12.990 -0.403 -0.177 1.00 31.21 O ATOM 628 CB ASP A 37 11.480 -3.215 -0.813 1.00 33.10 C ATOM 629 CG ASP A 37 12.766 -3.236 -1.615 1.00 24.55 C ATOM 630 OD1 ASP A 37 13.852 -3.388 -1.016 1.00 34.51 O ATOM 631 OD2 ASP A 37 12.695 -3.126 -2.855 1.00 11.13 O ATOM 0 H ASP A 37 9.539 -2.838 0.658 1.00 73.23 H new ATOM 0 HA ASP A 37 12.328 -2.521 1.042 1.00 41.42 H new ATOM 0 HB2 ASP A 37 11.277 -4.217 -0.434 1.00 33.10 H new ATOM 0 HB3 ASP A 37 10.652 -2.949 -1.470 1.00 33.10 H new ATOM 636 N HIS A 38 10.793 -0.088 -0.521 1.00 4.42 N ATOM 637 CA HIS A 38 10.960 1.283 -1.004 1.00 13.54 C ATOM 638 C HIS A 38 10.937 2.288 0.142 1.00 0.22 C ATOM 639 O HIS A 38 11.857 3.092 0.303 1.00 63.34 O ATOM 640 CB HIS A 38 9.878 1.641 -2.029 1.00 3.21 C ATOM 641 CG HIS A 38 10.102 1.034 -3.378 1.00 41.43 C ATOM 642 ND1 HIS A 38 10.786 1.679 -4.386 1.00 44.12 N ATOM 643 CD2 HIS A 38 9.719 -0.158 -3.892 1.00 34.04 C ATOM 644 CE1 HIS A 38 10.808 0.914 -5.458 1.00 50.05 C ATOM 645 NE2 HIS A 38 10.169 -0.205 -5.186 1.00 72.55 N ATOM 0 H HIS A 38 9.828 -0.417 -0.507 1.00 4.42 H new ATOM 0 HA HIS A 38 11.936 1.335 -1.487 1.00 13.54 H new ATOM 0 HB2 HIS A 38 8.909 1.315 -1.650 1.00 3.21 H new ATOM 0 HB3 HIS A 38 9.832 2.725 -2.131 1.00 3.21 H new ATOM 0 HD2 HIS A 38 9.163 -0.928 -3.379 1.00 34.04 H new ATOM 0 HE1 HIS A 38 11.272 1.162 -6.401 1.00 50.05 H new ATOM 0 HE2 HIS A 38 10.031 -0.981 -5.833 1.00 72.55 H new ATOM 654 N PHE A 39 9.887 2.232 0.944 1.00 32.13 N ATOM 655 CA PHE A 39 9.682 3.197 2.016 1.00 11.52 C ATOM 656 C PHE A 39 10.194 2.633 3.337 1.00 71.21 C ATOM 657 O PHE A 39 9.492 2.659 4.348 1.00 32.40 O ATOM 658 CB PHE A 39 8.194 3.543 2.129 1.00 2.41 C ATOM 659 CG PHE A 39 7.588 4.035 0.844 1.00 2.04 C ATOM 660 CD1 PHE A 39 7.840 5.318 0.390 1.00 24.21 C ATOM 661 CD2 PHE A 39 6.767 3.210 0.089 1.00 54.20 C ATOM 662 CE1 PHE A 39 7.286 5.773 -0.793 1.00 61.22 C ATOM 663 CE2 PHE A 39 6.211 3.659 -1.095 1.00 51.44 C ATOM 664 CZ PHE A 39 6.470 4.941 -1.537 1.00 44.41 C ATOM 0 H PHE A 39 9.157 1.523 0.873 1.00 32.13 H new ATOM 0 HA PHE A 39 10.239 4.105 1.786 1.00 11.52 H new ATOM 0 HB2 PHE A 39 7.649 2.660 2.462 1.00 2.41 H new ATOM 0 HB3 PHE A 39 8.065 4.306 2.897 1.00 2.41 H new ATOM 0 HD1 PHE A 39 8.477 5.972 0.967 1.00 24.21 H new ATOM 0 HD2 PHE A 39 6.560 2.206 0.430 1.00 54.20 H new ATOM 0 HE1 PHE A 39 7.491 6.777 -1.135 1.00 61.22 H new ATOM 0 HE2 PHE A 39 5.574 3.007 -1.674 1.00 51.44 H new ATOM 0 HZ PHE A 39 6.036 5.293 -2.461 1.00 44.41 H new ATOM 674 N ARG A 40 11.435 2.157 3.311 1.00 43.22 N ATOM 675 CA ARG A 40 12.046 1.460 4.445 1.00 0.22 C ATOM 676 C ARG A 40 11.923 2.243 5.752 1.00 33.32 C ATOM 677 O ARG A 40 11.579 1.677 6.788 1.00 33.25 O ATOM 678 CB ARG A 40 13.514 1.158 4.141 1.00 54.24 C ATOM 679 CG ARG A 40 13.687 0.236 2.945 1.00 42.22 C ATOM 680 CD ARG A 40 15.129 -0.188 2.738 1.00 13.11 C ATOM 681 NE ARG A 40 15.988 0.923 2.338 1.00 63.25 N ATOM 682 CZ ARG A 40 16.450 1.091 1.098 1.00 73.24 C ATOM 683 NH1 ARG A 40 16.051 0.286 0.120 1.00 45.05 N ATOM 684 NH2 ARG A 40 17.301 2.073 0.833 1.00 73.23 N ATOM 0 H ARG A 40 12.050 2.243 2.502 1.00 43.22 H new ATOM 0 HA ARG A 40 11.500 0.527 4.584 1.00 0.22 H new ATOM 0 HB2 ARG A 40 14.042 2.093 3.953 1.00 54.24 H new ATOM 0 HB3 ARG A 40 13.976 0.701 5.016 1.00 54.24 H new ATOM 0 HG2 ARG A 40 13.068 -0.650 3.082 1.00 42.22 H new ATOM 0 HG3 ARG A 40 13.328 0.740 2.048 1.00 42.22 H new ATOM 0 HD2 ARG A 40 15.512 -0.625 3.661 1.00 13.11 H new ATOM 0 HD3 ARG A 40 15.169 -0.966 1.976 1.00 13.11 H new ATOM 0 HE ARG A 40 16.249 1.609 3.046 1.00 63.25 H new ATOM 0 HH11 ARG A 40 15.389 -0.465 0.316 1.00 45.05 H new ATOM 0 HH12 ARG A 40 16.407 0.418 -0.827 1.00 45.05 H new ATOM 0 HH21 ARG A 40 17.603 2.701 1.578 1.00 73.23 H new ATOM 0 HH22 ARG A 40 17.653 2.200 -0.116 1.00 73.23 H new ATOM 698 N HIS A 41 12.204 3.536 5.706 1.00 64.55 N ATOM 699 CA HIS A 41 12.051 4.389 6.882 1.00 75.10 C ATOM 700 C HIS A 41 11.266 5.642 6.536 1.00 54.11 C ATOM 701 O HIS A 41 11.522 6.721 7.070 1.00 33.30 O ATOM 702 CB HIS A 41 13.412 4.760 7.477 1.00 72.33 C ATOM 703 CG HIS A 41 13.846 3.843 8.581 1.00 74.41 C ATOM 704 ND1 HIS A 41 15.063 3.946 9.215 1.00 4.32 N ATOM 705 CD2 HIS A 41 13.203 2.811 9.178 1.00 32.10 C ATOM 706 CE1 HIS A 41 15.151 3.022 10.151 1.00 2.22 C ATOM 707 NE2 HIS A 41 14.035 2.317 10.152 1.00 52.42 N ATOM 0 H HIS A 41 12.538 4.019 4.872 1.00 64.55 H new ATOM 0 HA HIS A 41 11.496 3.826 7.632 1.00 75.10 H new ATOM 0 HB2 HIS A 41 14.162 4.746 6.686 1.00 72.33 H new ATOM 0 HB3 HIS A 41 13.368 5.780 7.858 1.00 72.33 H new ATOM 0 HD2 HIS A 41 12.217 2.444 8.933 1.00 32.10 H new ATOM 0 HE1 HIS A 41 15.995 2.868 10.807 1.00 2.22 H new ATOM 0 HE2 HIS A 41 13.826 1.535 10.773 1.00 52.42 H new ATOM 716 N LYS A 42 10.295 5.490 5.652 1.00 14.13 N ATOM 717 CA LYS A 42 9.451 6.602 5.259 1.00 73.15 C ATOM 718 C LYS A 42 8.158 6.577 6.064 1.00 13.54 C ATOM 719 O LYS A 42 7.471 5.553 6.121 1.00 4.12 O ATOM 720 CB LYS A 42 9.142 6.546 3.758 1.00 22.43 C ATOM 721 CG LYS A 42 8.376 7.757 3.239 1.00 25.23 C ATOM 722 CD LYS A 42 9.294 8.894 2.797 1.00 44.41 C ATOM 723 CE LYS A 42 10.316 9.263 3.860 1.00 22.01 C ATOM 724 NZ LYS A 42 10.931 10.592 3.613 1.00 21.13 N ATOM 0 H LYS A 42 10.073 4.607 5.193 1.00 14.13 H new ATOM 0 HA LYS A 42 9.982 7.532 5.462 1.00 73.15 H new ATOM 0 HB2 LYS A 42 10.079 6.458 3.207 1.00 22.43 H new ATOM 0 HB3 LYS A 42 8.564 5.646 3.550 1.00 22.43 H new ATOM 0 HG2 LYS A 42 7.751 7.453 2.399 1.00 25.23 H new ATOM 0 HG3 LYS A 42 7.707 8.119 4.019 1.00 25.23 H new ATOM 0 HD2 LYS A 42 9.813 8.603 1.884 1.00 44.41 H new ATOM 0 HD3 LYS A 42 8.692 9.770 2.556 1.00 44.41 H new ATOM 0 HE2 LYS A 42 9.835 9.264 4.838 1.00 22.01 H new ATOM 0 HE3 LYS A 42 11.097 8.503 3.889 1.00 22.01 H new ATOM 0 HZ1 LYS A 42 11.724 10.735 4.270 1.00 21.13 H new ATOM 0 HZ2 LYS A 42 11.280 10.637 2.634 1.00 21.13 H new ATOM 0 HZ3 LYS A 42 10.220 11.336 3.762 1.00 21.13 H new ATOM 738 N LEU A 43 7.840 7.694 6.703 1.00 2.14 N ATOM 739 CA LEU A 43 6.646 7.785 7.530 1.00 63.24 C ATOM 740 C LEU A 43 5.381 7.806 6.672 1.00 33.35 C ATOM 741 O LEU A 43 5.421 8.189 5.503 1.00 31.31 O ATOM 742 CB LEU A 43 6.701 9.038 8.410 1.00 20.04 C ATOM 743 CG LEU A 43 7.914 9.133 9.341 1.00 31.33 C ATOM 744 CD1 LEU A 43 7.840 10.392 10.189 1.00 3.00 C ATOM 745 CD2 LEU A 43 8.010 7.899 10.225 1.00 34.21 C ATOM 0 H LEU A 43 8.393 8.550 6.664 1.00 2.14 H new ATOM 0 HA LEU A 43 6.613 6.902 8.168 1.00 63.24 H new ATOM 0 HB2 LEU A 43 6.690 9.916 7.764 1.00 20.04 H new ATOM 0 HB3 LEU A 43 5.795 9.076 9.015 1.00 20.04 H new ATOM 0 HG LEU A 43 8.813 9.185 8.726 1.00 31.33 H new ATOM 0 HD11 LEU A 43 8.710 10.441 10.844 1.00 3.00 H new ATOM 0 HD12 LEU A 43 7.824 11.267 9.540 1.00 3.00 H new ATOM 0 HD13 LEU A 43 6.933 10.371 10.793 1.00 3.00 H new ATOM 0 HD21 LEU A 43 8.878 7.986 10.879 1.00 34.21 H new ATOM 0 HD22 LEU A 43 7.107 7.814 10.830 1.00 34.21 H new ATOM 0 HD23 LEU A 43 8.114 7.011 9.601 1.00 34.21 H new ATOM 757 N LEU A 44 4.266 7.408 7.279 1.00 73.22 N ATOM 758 CA LEU A 44 2.973 7.333 6.592 1.00 1.31 C ATOM 759 C LEU A 44 2.599 8.665 5.955 1.00 60.15 C ATOM 760 O LEU A 44 2.209 8.725 4.792 1.00 40.35 O ATOM 761 CB LEU A 44 1.882 6.920 7.589 1.00 34.32 C ATOM 762 CG LEU A 44 0.439 7.123 7.115 1.00 53.22 C ATOM 763 CD1 LEU A 44 0.084 6.146 6.008 1.00 62.24 C ATOM 764 CD2 LEU A 44 -0.526 6.987 8.279 1.00 25.51 C ATOM 0 H LEU A 44 4.230 7.128 8.259 1.00 73.22 H new ATOM 0 HA LEU A 44 3.057 6.590 5.799 1.00 1.31 H new ATOM 0 HB2 LEU A 44 2.020 5.867 7.835 1.00 34.32 H new ATOM 0 HB3 LEU A 44 2.025 7.484 8.511 1.00 34.32 H new ATOM 0 HG LEU A 44 0.355 8.132 6.710 1.00 53.22 H new ATOM 0 HD11 LEU A 44 -0.946 6.313 5.691 1.00 62.24 H new ATOM 0 HD12 LEU A 44 0.753 6.297 5.161 1.00 62.24 H new ATOM 0 HD13 LEU A 44 0.189 5.125 6.376 1.00 62.24 H new ATOM 0 HD21 LEU A 44 -1.546 7.134 7.925 1.00 25.51 H new ATOM 0 HD22 LEU A 44 -0.433 5.992 8.714 1.00 25.51 H new ATOM 0 HD23 LEU A 44 -0.293 7.737 9.035 1.00 25.51 H new ATOM 776 N LYS A 45 2.734 9.730 6.720 1.00 41.22 N ATOM 777 CA LYS A 45 2.317 11.046 6.271 1.00 4.10 C ATOM 778 C LYS A 45 3.425 11.744 5.500 1.00 61.55 C ATOM 779 O LYS A 45 3.266 12.884 5.067 1.00 21.33 O ATOM 780 CB LYS A 45 1.930 11.905 7.466 1.00 35.43 C ATOM 781 CG LYS A 45 3.098 12.158 8.397 1.00 54.35 C ATOM 782 CD LYS A 45 2.776 13.217 9.426 1.00 63.04 C ATOM 783 CE LYS A 45 4.045 13.768 10.040 1.00 15.21 C ATOM 784 NZ LYS A 45 4.730 14.727 9.138 1.00 22.14 N ATOM 0 H LYS A 45 3.131 9.711 7.659 1.00 41.22 H new ATOM 0 HA LYS A 45 1.460 10.914 5.611 1.00 4.10 H new ATOM 0 HB2 LYS A 45 1.537 12.858 7.113 1.00 35.43 H new ATOM 0 HB3 LYS A 45 1.128 11.415 8.018 1.00 35.43 H new ATOM 0 HG2 LYS A 45 3.368 11.231 8.902 1.00 54.35 H new ATOM 0 HG3 LYS A 45 3.966 12.468 7.815 1.00 54.35 H new ATOM 0 HD2 LYS A 45 2.211 14.024 8.960 1.00 63.04 H new ATOM 0 HD3 LYS A 45 2.143 12.793 10.206 1.00 63.04 H new ATOM 0 HE2 LYS A 45 3.807 14.263 10.981 1.00 15.21 H new ATOM 0 HE3 LYS A 45 4.721 12.945 10.275 1.00 15.21 H new ATOM 0 HZ1 LYS A 45 5.483 15.218 9.661 1.00 22.14 H new ATOM 0 HZ2 LYS A 45 5.145 14.213 8.335 1.00 22.14 H new ATOM 0 HZ3 LYS A 45 4.043 15.423 8.785 1.00 22.14 H new ATOM 798 N ASP A 46 4.552 11.072 5.336 1.00 40.40 N ATOM 799 CA ASP A 46 5.703 11.706 4.723 1.00 53.05 C ATOM 800 C ASP A 46 5.870 11.228 3.285 1.00 72.23 C ATOM 801 O ASP A 46 6.877 11.502 2.629 1.00 62.04 O ATOM 802 CB ASP A 46 6.967 11.418 5.526 1.00 33.41 C ATOM 803 CG ASP A 46 8.045 12.445 5.256 1.00 70.15 C ATOM 804 OD1 ASP A 46 7.795 13.643 5.502 1.00 51.50 O ATOM 805 OD2 ASP A 46 9.141 12.063 4.798 1.00 11.02 O ATOM 0 H ASP A 46 4.693 10.101 5.615 1.00 40.40 H new ATOM 0 HA ASP A 46 5.537 12.783 4.716 1.00 53.05 H new ATOM 0 HB2 ASP A 46 6.729 11.411 6.590 1.00 33.41 H new ATOM 0 HB3 ASP A 46 7.339 10.425 5.276 1.00 33.41 H new ATOM 810 N ILE A 47 4.868 10.506 2.806 1.00 53.44 N ATOM 811 CA ILE A 47 4.880 9.977 1.453 1.00 3.25 C ATOM 812 C ILE A 47 4.748 11.107 0.437 1.00 41.22 C ATOM 813 O ILE A 47 3.814 11.906 0.496 1.00 44.13 O ATOM 814 CB ILE A 47 3.739 8.954 1.232 1.00 61.51 C ATOM 815 CG1 ILE A 47 3.853 7.796 2.228 1.00 20.43 C ATOM 816 CG2 ILE A 47 3.755 8.428 -0.197 1.00 53.02 C ATOM 817 CD1 ILE A 47 5.143 7.018 2.115 1.00 25.12 C ATOM 0 H ILE A 47 4.031 10.272 3.340 1.00 53.44 H new ATOM 0 HA ILE A 47 5.833 9.468 1.313 1.00 3.25 H new ATOM 0 HB ILE A 47 2.790 9.463 1.400 1.00 61.51 H new ATOM 0 HG12 ILE A 47 3.765 8.190 3.240 1.00 20.43 H new ATOM 0 HG13 ILE A 47 3.015 7.116 2.077 1.00 20.43 H new ATOM 0 HG21 ILE A 47 2.945 7.711 -0.330 1.00 53.02 H new ATOM 0 HG22 ILE A 47 3.623 9.258 -0.892 1.00 53.02 H new ATOM 0 HG23 ILE A 47 4.709 7.939 -0.394 1.00 53.02 H new ATOM 0 HD11 ILE A 47 5.150 6.215 2.852 1.00 25.12 H new ATOM 0 HD12 ILE A 47 5.225 6.593 1.115 1.00 25.12 H new ATOM 0 HD13 ILE A 47 5.987 7.684 2.296 1.00 25.12 H new ATOM 829 N LYS A 48 5.698 11.186 -0.475 1.00 70.31 N ATOM 830 CA LYS A 48 5.643 12.185 -1.524 1.00 30.54 C ATOM 831 C LYS A 48 5.013 11.576 -2.769 1.00 33.33 C ATOM 832 O LYS A 48 5.222 10.395 -3.062 1.00 12.11 O ATOM 833 CB LYS A 48 7.040 12.723 -1.829 1.00 52.13 C ATOM 834 CG LYS A 48 7.815 13.116 -0.580 1.00 25.33 C ATOM 835 CD LYS A 48 9.023 13.978 -0.907 1.00 1.43 C ATOM 836 CE LYS A 48 8.604 15.330 -1.462 1.00 42.21 C ATOM 837 NZ LYS A 48 7.668 16.042 -0.549 1.00 42.15 N ATOM 0 H LYS A 48 6.513 10.574 -0.511 1.00 70.31 H new ATOM 0 HA LYS A 48 5.031 13.023 -1.190 1.00 30.54 H new ATOM 0 HB2 LYS A 48 7.603 11.966 -2.375 1.00 52.13 H new ATOM 0 HB3 LYS A 48 6.954 13.590 -2.484 1.00 52.13 H new ATOM 0 HG2 LYS A 48 7.157 13.657 0.100 1.00 25.33 H new ATOM 0 HG3 LYS A 48 8.142 12.217 -0.058 1.00 25.33 H new ATOM 0 HD2 LYS A 48 9.624 14.122 -0.009 1.00 1.43 H new ATOM 0 HD3 LYS A 48 9.653 13.464 -1.633 1.00 1.43 H new ATOM 0 HE2 LYS A 48 9.489 15.945 -1.625 1.00 42.21 H new ATOM 0 HE3 LYS A 48 8.128 15.192 -2.433 1.00 42.21 H new ATOM 0 HZ1 LYS A 48 7.632 17.049 -0.805 1.00 42.15 H new ATOM 0 HZ2 LYS A 48 6.718 15.629 -0.635 1.00 42.15 H new ATOM 0 HZ3 LYS A 48 8.000 15.946 0.432 1.00 42.15 H new ATOM 851 N ARG A 49 4.244 12.378 -3.495 1.00 25.24 N ATOM 852 CA ARG A 49 3.467 11.881 -4.627 1.00 3.40 C ATOM 853 C ARG A 49 4.364 11.267 -5.706 1.00 5.14 C ATOM 854 O ARG A 49 3.984 10.293 -6.350 1.00 41.34 O ATOM 855 CB ARG A 49 2.604 12.997 -5.230 1.00 24.10 C ATOM 856 CG ARG A 49 3.409 14.151 -5.797 1.00 43.43 C ATOM 857 CD ARG A 49 2.536 15.128 -6.566 1.00 62.33 C ATOM 858 NE ARG A 49 3.318 15.939 -7.498 1.00 24.21 N ATOM 859 CZ ARG A 49 2.789 16.665 -8.482 1.00 45.12 C ATOM 860 NH1 ARG A 49 1.470 16.785 -8.587 1.00 31.22 N ATOM 861 NH2 ARG A 49 3.582 17.288 -9.345 1.00 2.04 N ATOM 0 H ARG A 49 4.141 13.378 -3.321 1.00 25.24 H new ATOM 0 HA ARG A 49 2.813 11.096 -4.248 1.00 3.40 H new ATOM 0 HB2 ARG A 49 1.982 12.577 -6.020 1.00 24.10 H new ATOM 0 HB3 ARG A 49 1.930 13.378 -4.463 1.00 24.10 H new ATOM 0 HG2 ARG A 49 3.912 14.676 -4.985 1.00 43.43 H new ATOM 0 HG3 ARG A 49 4.186 13.763 -6.456 1.00 43.43 H new ATOM 0 HD2 ARG A 49 1.772 14.578 -7.116 1.00 62.33 H new ATOM 0 HD3 ARG A 49 2.016 15.780 -5.865 1.00 62.33 H new ATOM 0 HE ARG A 49 4.332 15.950 -7.388 1.00 24.21 H new ATOM 0 HH11 ARG A 49 0.860 16.321 -7.914 1.00 31.22 H new ATOM 0 HH12 ARG A 49 1.067 17.341 -9.341 1.00 31.22 H new ATOM 0 HH21 ARG A 49 4.595 17.211 -9.254 1.00 2.04 H new ATOM 0 HH22 ARG A 49 3.178 17.844 -10.099 1.00 2.04 H new ATOM 875 N THR A 50 5.553 11.829 -5.894 1.00 62.30 N ATOM 876 CA THR A 50 6.479 11.326 -6.899 1.00 1.34 C ATOM 877 C THR A 50 7.052 9.973 -6.499 1.00 60.50 C ATOM 878 O THR A 50 7.174 9.076 -7.326 1.00 2.41 O ATOM 879 CB THR A 50 7.629 12.311 -7.147 1.00 5.31 C ATOM 880 OG1 THR A 50 8.107 12.825 -5.896 1.00 21.54 O ATOM 881 CG2 THR A 50 7.174 13.453 -8.041 1.00 32.53 C ATOM 0 H THR A 50 5.897 12.631 -5.365 1.00 62.30 H new ATOM 0 HA THR A 50 5.908 11.211 -7.821 1.00 1.34 H new ATOM 0 HB THR A 50 8.438 11.782 -7.651 1.00 5.31 H new ATOM 0 HG1 THR A 50 8.616 12.130 -5.430 1.00 21.54 H new ATOM 0 HG21 THR A 50 8.004 14.140 -8.204 1.00 32.53 H new ATOM 0 HG22 THR A 50 6.839 13.054 -8.999 1.00 32.53 H new ATOM 0 HG23 THR A 50 6.352 13.985 -7.562 1.00 32.53 H new ATOM 889 N GLU A 51 7.382 9.827 -5.223 1.00 24.35 N ATOM 890 CA GLU A 51 7.967 8.590 -4.722 1.00 11.54 C ATOM 891 C GLU A 51 6.972 7.452 -4.894 1.00 61.25 C ATOM 892 O GLU A 51 7.326 6.341 -5.291 1.00 55.42 O ATOM 893 CB GLU A 51 8.344 8.730 -3.244 1.00 71.05 C ATOM 894 CG GLU A 51 8.846 10.115 -2.863 1.00 60.42 C ATOM 895 CD GLU A 51 10.059 10.562 -3.653 1.00 14.31 C ATOM 896 OE1 GLU A 51 11.184 10.150 -3.302 1.00 54.52 O ATOM 897 OE2 GLU A 51 9.892 11.345 -4.614 1.00 32.22 O ATOM 0 H GLU A 51 7.255 10.550 -4.515 1.00 24.35 H new ATOM 0 HA GLU A 51 8.872 8.375 -5.290 1.00 11.54 H new ATOM 0 HB2 GLU A 51 7.474 8.489 -2.633 1.00 71.05 H new ATOM 0 HB3 GLU A 51 9.114 7.997 -3.005 1.00 71.05 H new ATOM 0 HG2 GLU A 51 8.042 10.836 -3.010 1.00 60.42 H new ATOM 0 HG3 GLU A 51 9.092 10.123 -1.801 1.00 60.42 H new ATOM 904 N TYR A 52 5.715 7.759 -4.606 1.00 25.44 N ATOM 905 CA TYR A 52 4.622 6.818 -4.787 1.00 25.30 C ATOM 906 C TYR A 52 4.411 6.526 -6.273 1.00 10.31 C ATOM 907 O TYR A 52 4.097 5.399 -6.661 1.00 15.13 O ATOM 908 CB TYR A 52 3.352 7.397 -4.155 1.00 54.14 C ATOM 909 CG TYR A 52 2.124 6.537 -4.323 1.00 33.34 C ATOM 910 CD1 TYR A 52 2.029 5.302 -3.698 1.00 14.34 C ATOM 911 CD2 TYR A 52 1.061 6.961 -5.107 1.00 43.11 C ATOM 912 CE1 TYR A 52 0.908 4.513 -3.851 1.00 11.41 C ATOM 913 CE2 TYR A 52 -0.064 6.177 -5.264 1.00 64.44 C ATOM 914 CZ TYR A 52 -0.137 4.955 -4.634 1.00 63.33 C ATOM 915 OH TYR A 52 -1.256 4.169 -4.787 1.00 52.34 O ATOM 0 H TYR A 52 5.426 8.666 -4.241 1.00 25.44 H new ATOM 0 HA TYR A 52 4.865 5.876 -4.296 1.00 25.30 H new ATOM 0 HB2 TYR A 52 3.529 7.552 -3.091 1.00 54.14 H new ATOM 0 HB3 TYR A 52 3.157 8.376 -4.592 1.00 54.14 H new ATOM 0 HD1 TYR A 52 2.845 4.953 -3.082 1.00 14.34 H new ATOM 0 HD2 TYR A 52 1.115 7.919 -5.602 1.00 43.11 H new ATOM 0 HE1 TYR A 52 0.849 3.553 -3.360 1.00 11.41 H new ATOM 0 HE2 TYR A 52 -0.883 6.521 -5.878 1.00 64.44 H new ATOM 0 HH TYR A 52 -1.378 3.614 -3.989 1.00 52.34 H new ATOM 925 N GLN A 53 4.606 7.547 -7.096 1.00 52.34 N ATOM 926 CA GLN A 53 4.474 7.417 -8.538 1.00 13.44 C ATOM 927 C GLN A 53 5.498 6.410 -9.071 1.00 15.23 C ATOM 928 O GLN A 53 5.142 5.480 -9.794 1.00 72.51 O ATOM 929 CB GLN A 53 4.646 8.800 -9.187 1.00 75.44 C ATOM 930 CG GLN A 53 4.233 8.892 -10.652 1.00 30.25 C ATOM 931 CD GLN A 53 5.287 8.372 -11.607 1.00 42.13 C ATOM 932 OE1 GLN A 53 6.479 8.400 -11.312 1.00 54.33 O ATOM 933 NE2 GLN A 53 4.856 7.934 -12.776 1.00 54.10 N ATOM 0 H GLN A 53 4.859 8.484 -6.783 1.00 52.34 H new ATOM 0 HA GLN A 53 3.483 7.040 -8.790 1.00 13.44 H new ATOM 0 HB2 GLN A 53 4.064 9.525 -8.617 1.00 75.44 H new ATOM 0 HB3 GLN A 53 5.692 9.094 -9.103 1.00 75.44 H new ATOM 0 HG2 GLN A 53 3.311 8.329 -10.798 1.00 30.25 H new ATOM 0 HG3 GLN A 53 4.014 9.932 -10.896 1.00 30.25 H new ATOM 0 HE21 GLN A 53 3.857 7.927 -12.981 1.00 54.10 H new ATOM 0 HE22 GLN A 53 5.522 7.602 -13.474 1.00 54.10 H new ATOM 942 N LYS A 54 6.766 6.573 -8.678 1.00 33.12 N ATOM 943 CA LYS A 54 7.822 5.658 -9.119 1.00 4.32 C ATOM 944 C LYS A 54 7.616 4.266 -8.528 1.00 4.14 C ATOM 945 O LYS A 54 7.974 3.260 -9.143 1.00 22.11 O ATOM 946 CB LYS A 54 9.221 6.178 -8.755 1.00 14.55 C ATOM 947 CG LYS A 54 9.751 7.252 -9.698 1.00 44.43 C ATOM 948 CD LYS A 54 9.069 8.592 -9.477 1.00 23.03 C ATOM 949 CE LYS A 54 9.481 9.624 -10.511 1.00 15.52 C ATOM 950 NZ LYS A 54 8.997 9.274 -11.871 1.00 4.42 N ATOM 0 H LYS A 54 7.083 7.322 -8.062 1.00 33.12 H new ATOM 0 HA LYS A 54 7.757 5.598 -10.205 1.00 4.32 H new ATOM 0 HB2 LYS A 54 9.195 6.580 -7.742 1.00 14.55 H new ATOM 0 HB3 LYS A 54 9.918 5.340 -8.748 1.00 14.55 H new ATOM 0 HG2 LYS A 54 10.825 7.364 -9.552 1.00 44.43 H new ATOM 0 HG3 LYS A 54 9.600 6.935 -10.730 1.00 44.43 H new ATOM 0 HD2 LYS A 54 7.988 8.457 -9.512 1.00 23.03 H new ATOM 0 HD3 LYS A 54 9.312 8.961 -8.481 1.00 23.03 H new ATOM 0 HE2 LYS A 54 9.087 10.600 -10.226 1.00 15.52 H new ATOM 0 HE3 LYS A 54 10.568 9.710 -10.524 1.00 15.52 H new ATOM 0 HZ1 LYS A 54 8.879 10.142 -12.432 1.00 4.42 H new ATOM 0 HZ2 LYS A 54 9.689 8.653 -12.337 1.00 4.42 H new ATOM 0 HZ3 LYS A 54 8.084 8.782 -11.798 1.00 4.42 H new ATOM 964 N PHE A 55 7.034 4.220 -7.336 1.00 33.34 N ATOM 965 CA PHE A 55 6.688 2.956 -6.696 1.00 34.31 C ATOM 966 C PHE A 55 5.732 2.160 -7.583 1.00 65.54 C ATOM 967 O PHE A 55 5.935 0.967 -7.827 1.00 73.51 O ATOM 968 CB PHE A 55 6.059 3.215 -5.321 1.00 64.43 C ATOM 969 CG PHE A 55 5.499 1.987 -4.661 1.00 43.45 C ATOM 970 CD1 PHE A 55 6.339 1.035 -4.108 1.00 52.03 C ATOM 971 CD2 PHE A 55 4.129 1.786 -4.594 1.00 34.13 C ATOM 972 CE1 PHE A 55 5.825 -0.093 -3.501 1.00 32.25 C ATOM 973 CE2 PHE A 55 3.609 0.660 -3.988 1.00 33.45 C ATOM 974 CZ PHE A 55 4.458 -0.281 -3.439 1.00 53.24 C ATOM 0 H PHE A 55 6.791 5.047 -6.791 1.00 33.34 H new ATOM 0 HA PHE A 55 7.597 2.370 -6.556 1.00 34.31 H new ATOM 0 HB2 PHE A 55 6.811 3.655 -4.666 1.00 64.43 H new ATOM 0 HB3 PHE A 55 5.262 3.951 -5.431 1.00 64.43 H new ATOM 0 HD1 PHE A 55 7.409 1.177 -4.152 1.00 52.03 H new ATOM 0 HD2 PHE A 55 3.461 2.519 -5.021 1.00 34.13 H new ATOM 0 HE1 PHE A 55 6.491 -0.828 -3.075 1.00 32.25 H new ATOM 0 HE2 PHE A 55 2.540 0.515 -3.943 1.00 33.45 H new ATOM 0 HZ PHE A 55 4.054 -1.162 -2.962 1.00 53.24 H new ATOM 984 N LEU A 56 4.702 2.836 -8.075 1.00 51.03 N ATOM 985 CA LEU A 56 3.721 2.215 -8.956 1.00 13.32 C ATOM 986 C LEU A 56 4.359 1.803 -10.276 1.00 5.23 C ATOM 987 O LEU A 56 4.013 0.773 -10.850 1.00 12.23 O ATOM 988 CB LEU A 56 2.563 3.179 -9.225 1.00 1.21 C ATOM 989 CG LEU A 56 1.772 3.611 -7.991 1.00 33.24 C ATOM 990 CD1 LEU A 56 0.715 4.630 -8.375 1.00 73.13 C ATOM 991 CD2 LEU A 56 1.127 2.410 -7.319 1.00 54.40 C ATOM 0 H LEU A 56 4.524 3.821 -7.877 1.00 51.03 H new ATOM 0 HA LEU A 56 3.340 1.323 -8.459 1.00 13.32 H new ATOM 0 HB2 LEU A 56 2.959 4.070 -9.712 1.00 1.21 H new ATOM 0 HB3 LEU A 56 1.877 2.709 -9.930 1.00 1.21 H new ATOM 0 HG LEU A 56 2.462 4.070 -7.283 1.00 33.24 H new ATOM 0 HD11 LEU A 56 0.159 4.929 -7.487 1.00 73.13 H new ATOM 0 HD12 LEU A 56 1.195 5.504 -8.814 1.00 73.13 H new ATOM 0 HD13 LEU A 56 0.031 4.189 -9.100 1.00 73.13 H new ATOM 0 HD21 LEU A 56 0.569 2.740 -6.443 1.00 54.40 H new ATOM 0 HD22 LEU A 56 0.449 1.922 -8.019 1.00 54.40 H new ATOM 0 HD23 LEU A 56 1.900 1.706 -7.013 1.00 54.40 H new ATOM 1003 N ASN A 57 5.299 2.609 -10.749 1.00 40.02 N ATOM 1004 CA ASN A 57 5.957 2.351 -12.026 1.00 22.40 C ATOM 1005 C ASN A 57 6.754 1.055 -11.983 1.00 50.31 C ATOM 1006 O ASN A 57 6.788 0.313 -12.962 1.00 52.11 O ATOM 1007 CB ASN A 57 6.867 3.519 -12.414 1.00 5.52 C ATOM 1008 CG ASN A 57 6.097 4.722 -12.934 1.00 72.34 C ATOM 1009 OD1 ASN A 57 6.605 5.492 -13.746 1.00 15.53 O ATOM 1010 ND2 ASN A 57 4.860 4.889 -12.486 1.00 12.22 N ATOM 0 H ASN A 57 5.625 3.448 -10.269 1.00 40.02 H new ATOM 0 HA ASN A 57 5.179 2.248 -12.783 1.00 22.40 H new ATOM 0 HB2 ASN A 57 7.456 3.818 -11.547 1.00 5.52 H new ATOM 0 HB3 ASN A 57 7.571 3.187 -13.177 1.00 5.52 H new ATOM 0 HD21 ASN A 57 4.300 5.675 -12.816 1.00 12.22 H new ATOM 0 HD22 ASN A 57 4.469 4.231 -11.812 1.00 12.22 H new ATOM 1017 N GLU A 58 7.386 0.781 -10.846 1.00 51.41 N ATOM 1018 CA GLU A 58 8.136 -0.459 -10.679 1.00 21.24 C ATOM 1019 C GLU A 58 7.184 -1.638 -10.501 1.00 75.22 C ATOM 1020 O GLU A 58 7.407 -2.727 -11.037 1.00 75.13 O ATOM 1021 CB GLU A 58 9.072 -0.369 -9.470 1.00 3.03 C ATOM 1022 CG GLU A 58 9.917 -1.619 -9.273 1.00 53.33 C ATOM 1023 CD GLU A 58 10.652 -1.628 -7.951 1.00 73.01 C ATOM 1024 OE1 GLU A 58 10.081 -2.112 -6.953 1.00 4.01 O ATOM 1025 OE2 GLU A 58 11.803 -1.148 -7.898 1.00 34.15 O ATOM 0 H GLU A 58 7.394 1.396 -10.032 1.00 51.41 H new ATOM 0 HA GLU A 58 8.734 -0.613 -11.577 1.00 21.24 H new ATOM 0 HB2 GLU A 58 9.730 0.491 -9.591 1.00 3.03 H new ATOM 0 HB3 GLU A 58 8.480 -0.193 -8.572 1.00 3.03 H new ATOM 0 HG2 GLU A 58 9.276 -2.498 -9.333 1.00 53.33 H new ATOM 0 HG3 GLU A 58 10.639 -1.695 -10.086 1.00 53.33 H new ATOM 1032 N TYR A 59 6.115 -1.411 -9.755 1.00 3.54 N ATOM 1033 CA TYR A 59 5.149 -2.460 -9.473 1.00 2.03 C ATOM 1034 C TYR A 59 4.430 -2.873 -10.755 1.00 21.34 C ATOM 1035 O TYR A 59 4.108 -4.044 -10.947 1.00 53.32 O ATOM 1036 CB TYR A 59 4.144 -1.993 -8.419 1.00 22.01 C ATOM 1037 CG TYR A 59 3.412 -3.126 -7.736 1.00 54.24 C ATOM 1038 CD1 TYR A 59 3.940 -3.735 -6.601 1.00 23.35 C ATOM 1039 CD2 TYR A 59 2.193 -3.587 -8.218 1.00 44.32 C ATOM 1040 CE1 TYR A 59 3.275 -4.771 -5.973 1.00 42.03 C ATOM 1041 CE2 TYR A 59 1.524 -4.621 -7.594 1.00 63.21 C ATOM 1042 CZ TYR A 59 2.068 -5.207 -6.470 1.00 41.23 C ATOM 1043 OH TYR A 59 1.405 -6.236 -5.846 1.00 33.53 O ATOM 0 H TYR A 59 5.894 -0.509 -9.334 1.00 3.54 H new ATOM 0 HA TYR A 59 5.680 -3.326 -9.078 1.00 2.03 H new ATOM 0 HB2 TYR A 59 4.667 -1.404 -7.666 1.00 22.01 H new ATOM 0 HB3 TYR A 59 3.416 -1.333 -8.891 1.00 22.01 H new ATOM 0 HD1 TYR A 59 4.884 -3.392 -6.205 1.00 23.35 H new ATOM 0 HD2 TYR A 59 1.762 -3.129 -9.096 1.00 44.32 H new ATOM 0 HE1 TYR A 59 3.701 -5.236 -5.096 1.00 42.03 H new ATOM 0 HE2 TYR A 59 0.579 -4.969 -7.984 1.00 63.21 H new ATOM 0 HH TYR A 59 0.526 -5.924 -5.544 1.00 33.53 H new ATOM 1053 N GLY A 60 4.213 -1.904 -11.640 1.00 33.32 N ATOM 1054 CA GLY A 60 3.568 -2.179 -12.910 1.00 4.11 C ATOM 1055 C GLY A 60 4.489 -2.875 -13.897 1.00 61.20 C ATOM 1056 O GLY A 60 4.051 -3.320 -14.958 1.00 24.02 O ATOM 0 H GLY A 60 4.474 -0.928 -11.498 1.00 33.32 H new ATOM 0 HA2 GLY A 60 2.689 -2.801 -12.739 1.00 4.11 H new ATOM 0 HA3 GLY A 60 3.217 -1.243 -13.345 1.00 4.11 H new ATOM 1060 N LEU A 61 5.772 -2.936 -13.568 1.00 75.04 N ATOM 1061 CA LEU A 61 6.737 -3.666 -14.380 1.00 2.10 C ATOM 1062 C LEU A 61 6.867 -5.106 -13.897 1.00 44.11 C ATOM 1063 O LEU A 61 7.305 -5.984 -14.640 1.00 41.42 O ATOM 1064 CB LEU A 61 8.109 -2.989 -14.329 1.00 25.14 C ATOM 1065 CG LEU A 61 8.176 -1.586 -14.931 1.00 40.21 C ATOM 1066 CD1 LEU A 61 9.557 -0.989 -14.724 1.00 75.31 C ATOM 1067 CD2 LEU A 61 7.829 -1.621 -16.410 1.00 35.12 C ATOM 0 H LEU A 61 6.170 -2.488 -12.743 1.00 75.04 H new ATOM 0 HA LEU A 61 6.375 -3.664 -15.408 1.00 2.10 H new ATOM 0 HB2 LEU A 61 8.429 -2.934 -13.288 1.00 25.14 H new ATOM 0 HB3 LEU A 61 8.827 -3.623 -14.850 1.00 25.14 H new ATOM 0 HG LEU A 61 7.445 -0.957 -14.423 1.00 40.21 H new ATOM 0 HD11 LEU A 61 9.590 0.010 -15.158 1.00 75.31 H new ATOM 0 HD12 LEU A 61 9.771 -0.929 -13.657 1.00 75.31 H new ATOM 0 HD13 LEU A 61 10.302 -1.620 -15.208 1.00 75.31 H new ATOM 0 HD21 LEU A 61 7.882 -0.613 -16.820 1.00 35.12 H new ATOM 0 HD22 LEU A 61 8.536 -2.264 -16.934 1.00 35.12 H new ATOM 0 HD23 LEU A 61 6.819 -2.012 -16.538 1.00 35.12 H new ATOM 1079 N THR A 62 6.488 -5.335 -12.649 1.00 52.31 N ATOM 1080 CA THR A 62 6.680 -6.630 -12.012 1.00 2.52 C ATOM 1081 C THR A 62 5.370 -7.405 -11.894 1.00 14.22 C ATOM 1082 O THR A 62 5.360 -8.638 -11.882 1.00 32.21 O ATOM 1083 CB THR A 62 7.296 -6.451 -10.611 1.00 14.24 C ATOM 1084 OG1 THR A 62 6.527 -5.500 -9.854 1.00 31.41 O ATOM 1085 CG2 THR A 62 8.740 -5.977 -10.707 1.00 34.42 C ATOM 0 H THR A 62 6.043 -4.636 -12.054 1.00 52.31 H new ATOM 0 HA THR A 62 7.359 -7.203 -12.644 1.00 2.52 H new ATOM 0 HB THR A 62 7.280 -7.418 -10.108 1.00 14.24 H new ATOM 0 HG1 THR A 62 5.772 -5.956 -9.426 1.00 31.41 H new ATOM 0 HG21 THR A 62 9.151 -5.858 -9.705 1.00 34.42 H new ATOM 0 HG22 THR A 62 9.328 -6.712 -11.256 1.00 34.42 H new ATOM 0 HG23 THR A 62 8.775 -5.021 -11.229 1.00 34.42 H new ATOM 1093 N HIS A 63 4.270 -6.680 -11.798 1.00 43.02 N ATOM 1094 CA HIS A 63 2.965 -7.292 -11.620 1.00 4.55 C ATOM 1095 C HIS A 63 2.004 -6.794 -12.689 1.00 10.41 C ATOM 1096 O HIS A 63 2.287 -5.813 -13.373 1.00 54.31 O ATOM 1097 CB HIS A 63 2.413 -6.968 -10.228 1.00 75.31 C ATOM 1098 CG HIS A 63 3.180 -7.601 -9.102 1.00 63.42 C ATOM 1099 ND1 HIS A 63 4.420 -7.158 -8.680 1.00 32.03 N ATOM 1100 CD2 HIS A 63 2.869 -8.647 -8.302 1.00 74.21 C ATOM 1101 CE1 HIS A 63 4.830 -7.907 -7.672 1.00 11.31 C ATOM 1102 NE2 HIS A 63 3.909 -8.814 -7.425 1.00 54.45 N ATOM 0 H HIS A 63 4.255 -5.661 -11.841 1.00 43.02 H new ATOM 0 HA HIS A 63 3.070 -8.373 -11.714 1.00 4.55 H new ATOM 0 HB2 HIS A 63 2.414 -5.887 -10.091 1.00 75.31 H new ATOM 0 HB3 HIS A 63 1.375 -7.295 -10.175 1.00 75.31 H new ATOM 0 HD2 HIS A 63 1.968 -9.241 -8.346 1.00 74.21 H new ATOM 0 HE1 HIS A 63 5.763 -7.794 -7.140 1.00 11.31 H new ATOM 0 HE2 HIS A 63 3.961 -9.527 -6.697 1.00 54.45 H new ATOM 1111 N SER A 64 0.876 -7.472 -12.827 1.00 74.42 N ATOM 1112 CA SER A 64 -0.125 -7.105 -13.816 1.00 61.35 C ATOM 1113 C SER A 64 -0.841 -5.820 -13.404 1.00 73.24 C ATOM 1114 O SER A 64 -0.785 -5.409 -12.240 1.00 52.45 O ATOM 1115 CB SER A 64 -1.133 -8.246 -13.987 1.00 0.52 C ATOM 1116 OG SER A 64 -2.037 -7.989 -15.051 1.00 10.43 O ATOM 0 H SER A 64 0.630 -8.285 -12.262 1.00 74.42 H new ATOM 0 HA SER A 64 0.373 -6.928 -14.769 1.00 61.35 H new ATOM 0 HB2 SER A 64 -0.600 -9.177 -14.178 1.00 0.52 H new ATOM 0 HB3 SER A 64 -1.690 -8.382 -13.060 1.00 0.52 H new ATOM 0 HG SER A 64 -2.665 -8.737 -15.134 1.00 10.43 H new ATOM 1122 N TYR A 65 -1.518 -5.194 -14.364 1.00 43.32 N ATOM 1123 CA TYR A 65 -2.230 -3.946 -14.117 1.00 11.45 C ATOM 1124 C TYR A 65 -3.309 -4.130 -13.064 1.00 64.02 C ATOM 1125 O TYR A 65 -3.584 -3.222 -12.285 1.00 12.31 O ATOM 1126 CB TYR A 65 -2.853 -3.410 -15.408 1.00 73.22 C ATOM 1127 CG TYR A 65 -3.642 -2.128 -15.223 1.00 12.32 C ATOM 1128 CD1 TYR A 65 -3.005 -0.892 -15.225 1.00 74.25 C ATOM 1129 CD2 TYR A 65 -5.023 -2.152 -15.044 1.00 35.15 C ATOM 1130 CE1 TYR A 65 -3.718 0.279 -15.062 1.00 53.41 C ATOM 1131 CE2 TYR A 65 -5.740 -0.983 -14.880 1.00 72.13 C ATOM 1132 CZ TYR A 65 -5.085 0.226 -14.889 1.00 4.53 C ATOM 1133 OH TYR A 65 -5.799 1.390 -14.725 1.00 24.34 O ATOM 0 H TYR A 65 -1.587 -5.534 -15.323 1.00 43.32 H new ATOM 0 HA TYR A 65 -1.504 -3.222 -13.748 1.00 11.45 H new ATOM 0 HB2 TYR A 65 -2.061 -3.236 -16.137 1.00 73.22 H new ATOM 0 HB3 TYR A 65 -3.510 -4.172 -15.827 1.00 73.22 H new ATOM 0 HD1 TYR A 65 -1.934 -0.847 -15.356 1.00 74.25 H new ATOM 0 HD2 TYR A 65 -5.541 -3.099 -15.033 1.00 35.15 H new ATOM 0 HE1 TYR A 65 -3.208 1.231 -15.070 1.00 53.41 H new ATOM 0 HE2 TYR A 65 -6.811 -1.018 -14.745 1.00 72.13 H new ATOM 0 HH TYR A 65 -6.750 1.178 -14.617 1.00 24.34 H new ATOM 1143 N GLU A 66 -3.922 -5.298 -13.034 1.00 51.33 N ATOM 1144 CA GLU A 66 -4.967 -5.558 -12.065 1.00 31.15 C ATOM 1145 C GLU A 66 -4.383 -5.588 -10.657 1.00 21.11 C ATOM 1146 O GLU A 66 -4.994 -5.089 -9.709 1.00 54.21 O ATOM 1147 CB GLU A 66 -5.663 -6.879 -12.351 1.00 65.33 C ATOM 1148 CG GLU A 66 -7.041 -6.945 -11.731 1.00 2.43 C ATOM 1149 CD GLU A 66 -7.505 -8.362 -11.490 1.00 61.42 C ATOM 1150 OE1 GLU A 66 -8.142 -8.946 -12.392 1.00 55.34 O ATOM 1151 OE2 GLU A 66 -7.244 -8.886 -10.389 1.00 14.21 O ATOM 0 H GLU A 66 -3.717 -6.074 -13.663 1.00 51.33 H new ATOM 0 HA GLU A 66 -5.700 -4.754 -12.140 1.00 31.15 H new ATOM 0 HB2 GLU A 66 -5.744 -7.019 -13.429 1.00 65.33 H new ATOM 0 HB3 GLU A 66 -5.055 -7.699 -11.968 1.00 65.33 H new ATOM 0 HG2 GLU A 66 -7.036 -6.403 -10.785 1.00 2.43 H new ATOM 0 HG3 GLU A 66 -7.753 -6.440 -12.384 1.00 2.43 H new ATOM 1158 N THR A 67 -3.193 -6.161 -10.538 1.00 20.31 N ATOM 1159 CA THR A 67 -2.518 -6.269 -9.259 1.00 41.40 C ATOM 1160 C THR A 67 -2.168 -4.886 -8.718 1.00 52.54 C ATOM 1161 O THR A 67 -2.480 -4.562 -7.573 1.00 32.34 O ATOM 1162 CB THR A 67 -1.239 -7.113 -9.386 1.00 2.53 C ATOM 1163 OG1 THR A 67 -1.488 -8.240 -10.239 1.00 21.12 O ATOM 1164 CG2 THR A 67 -0.777 -7.601 -8.020 1.00 53.04 C ATOM 0 H THR A 67 -2.675 -6.560 -11.321 1.00 20.31 H new ATOM 0 HA THR A 67 -3.197 -6.762 -8.563 1.00 41.40 H new ATOM 0 HB THR A 67 -0.455 -6.491 -9.817 1.00 2.53 H new ATOM 0 HG1 THR A 67 -0.671 -8.776 -10.320 1.00 21.12 H new ATOM 0 HG21 THR A 67 0.129 -8.196 -8.134 1.00 53.04 H new ATOM 0 HG22 THR A 67 -0.571 -6.744 -7.378 1.00 53.04 H new ATOM 0 HG23 THR A 67 -1.558 -8.213 -7.569 1.00 53.04 H new ATOM 1172 N ILE A 68 -1.544 -4.065 -9.559 1.00 75.51 N ATOM 1173 CA ILE A 68 -1.193 -2.705 -9.171 1.00 5.35 C ATOM 1174 C ILE A 68 -2.454 -1.873 -8.940 1.00 22.33 C ATOM 1175 O ILE A 68 -2.480 -0.995 -8.079 1.00 71.34 O ATOM 1176 CB ILE A 68 -0.272 -2.015 -10.211 1.00 63.41 C ATOM 1177 CG1 ILE A 68 0.110 -0.610 -9.737 1.00 51.12 C ATOM 1178 CG2 ILE A 68 -0.923 -1.952 -11.584 1.00 45.31 C ATOM 1179 CD1 ILE A 68 0.958 0.154 -10.728 1.00 52.21 C ATOM 0 H ILE A 68 -1.273 -4.318 -10.509 1.00 75.51 H new ATOM 0 HA ILE A 68 -0.633 -2.771 -8.239 1.00 5.35 H new ATOM 0 HB ILE A 68 0.632 -2.617 -10.301 1.00 63.41 H new ATOM 0 HG12 ILE A 68 -0.799 -0.043 -9.537 1.00 51.12 H new ATOM 0 HG13 ILE A 68 0.650 -0.688 -8.794 1.00 51.12 H new ATOM 0 HG21 ILE A 68 -0.247 -1.462 -12.285 1.00 45.31 H new ATOM 0 HG22 ILE A 68 -1.137 -2.963 -11.932 1.00 45.31 H new ATOM 0 HG23 ILE A 68 -1.852 -1.386 -11.520 1.00 45.31 H new ATOM 0 HD11 ILE A 68 1.190 1.140 -10.325 1.00 52.21 H new ATOM 0 HD12 ILE A 68 1.885 -0.391 -10.910 1.00 52.21 H new ATOM 0 HD13 ILE A 68 0.412 0.264 -11.665 1.00 52.21 H new ATOM 1191 N ARG A 69 -3.498 -2.158 -9.714 1.00 11.42 N ATOM 1192 CA ARG A 69 -4.783 -1.491 -9.553 1.00 42.11 C ATOM 1193 C ARG A 69 -5.324 -1.724 -8.146 1.00 43.04 C ATOM 1194 O ARG A 69 -5.732 -0.786 -7.457 1.00 15.11 O ATOM 1195 CB ARG A 69 -5.792 -2.022 -10.572 1.00 73.24 C ATOM 1196 CG ARG A 69 -6.687 -0.949 -11.161 1.00 22.24 C ATOM 1197 CD ARG A 69 -7.927 -1.544 -11.808 1.00 53.41 C ATOM 1198 NE ARG A 69 -7.616 -2.597 -12.773 1.00 5.30 N ATOM 1199 CZ ARG A 69 -8.536 -3.395 -13.314 1.00 23.21 C ATOM 1200 NH1 ARG A 69 -9.813 -3.264 -12.968 1.00 11.42 N ATOM 1201 NH2 ARG A 69 -8.184 -4.319 -14.196 1.00 60.42 N ATOM 0 H ARG A 69 -3.477 -2.851 -10.462 1.00 11.42 H new ATOM 0 HA ARG A 69 -4.635 -0.423 -9.715 1.00 42.11 H new ATOM 0 HB2 ARG A 69 -5.253 -2.516 -11.380 1.00 73.24 H new ATOM 0 HB3 ARG A 69 -6.414 -2.779 -10.094 1.00 73.24 H new ATOM 0 HG2 ARG A 69 -6.984 -0.252 -10.377 1.00 22.24 H new ATOM 0 HG3 ARG A 69 -6.129 -0.376 -11.902 1.00 22.24 H new ATOM 0 HD2 ARG A 69 -8.576 -1.950 -11.032 1.00 53.41 H new ATOM 0 HD3 ARG A 69 -8.485 -0.753 -12.309 1.00 53.41 H new ATOM 0 HE ARG A 69 -6.642 -2.728 -13.047 1.00 5.30 H new ATOM 0 HH11 ARG A 69 -10.087 -2.554 -12.289 1.00 11.42 H new ATOM 0 HH12 ARG A 69 -10.518 -3.874 -13.381 1.00 11.42 H new ATOM 0 HH21 ARG A 69 -7.205 -4.422 -14.464 1.00 60.42 H new ATOM 0 HH22 ARG A 69 -8.892 -4.927 -14.607 1.00 60.42 H new ATOM 1215 N LYS A 70 -5.323 -2.987 -7.726 1.00 73.41 N ATOM 1216 CA LYS A 70 -5.784 -3.355 -6.395 1.00 43.32 C ATOM 1217 C LYS A 70 -4.819 -2.862 -5.325 1.00 3.51 C ATOM 1218 O LYS A 70 -5.248 -2.414 -4.264 1.00 11.04 O ATOM 1219 CB LYS A 70 -6.001 -4.868 -6.300 1.00 21.34 C ATOM 1220 CG LYS A 70 -7.434 -5.272 -6.608 1.00 12.12 C ATOM 1221 CD LYS A 70 -7.520 -6.443 -7.574 1.00 52.30 C ATOM 1222 CE LYS A 70 -7.031 -7.738 -6.947 1.00 43.12 C ATOM 1223 NZ LYS A 70 -7.416 -8.924 -7.761 1.00 54.24 N ATOM 0 H LYS A 70 -5.006 -3.774 -8.293 1.00 73.41 H new ATOM 0 HA LYS A 70 -6.743 -2.867 -6.218 1.00 43.32 H new ATOM 0 HB2 LYS A 70 -5.328 -5.372 -6.993 1.00 21.34 H new ATOM 0 HB3 LYS A 70 -5.739 -5.207 -5.298 1.00 21.34 H new ATOM 0 HG2 LYS A 70 -7.940 -5.535 -5.679 1.00 12.12 H new ATOM 0 HG3 LYS A 70 -7.965 -4.419 -7.030 1.00 12.12 H new ATOM 0 HD2 LYS A 70 -8.552 -6.567 -7.902 1.00 52.30 H new ATOM 0 HD3 LYS A 70 -6.927 -6.224 -8.462 1.00 52.30 H new ATOM 0 HE2 LYS A 70 -5.947 -7.705 -6.843 1.00 43.12 H new ATOM 0 HE3 LYS A 70 -7.445 -7.835 -5.943 1.00 43.12 H new ATOM 0 HZ1 LYS A 70 -6.966 -9.776 -7.368 1.00 54.24 H new ATOM 0 HZ2 LYS A 70 -8.450 -9.038 -7.741 1.00 54.24 H new ATOM 0 HZ3 LYS A 70 -7.101 -8.788 -8.743 1.00 54.24 H new ATOM 1237 N LEU A 71 -3.524 -2.921 -5.619 1.00 55.30 N ATOM 1238 CA LEU A 71 -2.506 -2.342 -4.743 1.00 72.51 C ATOM 1239 C LEU A 71 -2.853 -0.892 -4.434 1.00 14.21 C ATOM 1240 O LEU A 71 -2.966 -0.494 -3.274 1.00 13.42 O ATOM 1241 CB LEU A 71 -1.133 -2.400 -5.419 1.00 43.22 C ATOM 1242 CG LEU A 71 -0.066 -1.492 -4.804 1.00 3.34 C ATOM 1243 CD1 LEU A 71 0.379 -2.020 -3.454 1.00 13.41 C ATOM 1244 CD2 LEU A 71 1.118 -1.347 -5.744 1.00 74.23 C ATOM 0 H LEU A 71 -3.152 -3.365 -6.459 1.00 55.30 H new ATOM 0 HA LEU A 71 -2.476 -2.916 -3.817 1.00 72.51 H new ATOM 0 HB2 LEU A 71 -0.774 -3.429 -5.388 1.00 43.22 H new ATOM 0 HB3 LEU A 71 -1.251 -2.135 -6.470 1.00 43.22 H new ATOM 0 HG LEU A 71 -0.504 -0.506 -4.652 1.00 3.34 H new ATOM 0 HD11 LEU A 71 1.138 -1.358 -3.036 1.00 13.41 H new ATOM 0 HD12 LEU A 71 -0.476 -2.062 -2.780 1.00 13.41 H new ATOM 0 HD13 LEU A 71 0.796 -3.020 -3.574 1.00 13.41 H new ATOM 0 HD21 LEU A 71 1.866 -0.698 -5.289 1.00 74.23 H new ATOM 0 HD22 LEU A 71 1.555 -2.328 -5.933 1.00 74.23 H new ATOM 0 HD23 LEU A 71 0.784 -0.911 -6.686 1.00 74.23 H new ATOM 1256 N ASN A 72 -3.036 -0.121 -5.495 1.00 51.13 N ATOM 1257 CA ASN A 72 -3.408 1.281 -5.389 1.00 24.40 C ATOM 1258 C ASN A 72 -4.717 1.450 -4.618 1.00 2.44 C ATOM 1259 O ASN A 72 -4.863 2.383 -3.828 1.00 34.43 O ATOM 1260 CB ASN A 72 -3.509 1.881 -6.797 1.00 75.42 C ATOM 1261 CG ASN A 72 -4.186 3.235 -6.833 1.00 43.50 C ATOM 1262 OD1 ASN A 72 -5.379 3.333 -7.112 1.00 2.24 O ATOM 1263 ND2 ASN A 72 -3.439 4.286 -6.538 1.00 54.30 N ATOM 0 H ASN A 72 -2.931 -0.450 -6.455 1.00 51.13 H new ATOM 0 HA ASN A 72 -2.640 1.814 -4.828 1.00 24.40 H new ATOM 0 HB2 ASN A 72 -2.507 1.974 -7.216 1.00 75.42 H new ATOM 0 HB3 ASN A 72 -4.059 1.192 -7.438 1.00 75.42 H new ATOM 0 HD21 ASN A 72 -3.850 5.220 -6.537 1.00 54.30 H new ATOM 0 HD22 ASN A 72 -2.452 4.163 -6.312 1.00 54.30 H new ATOM 1270 N SER A 73 -5.653 0.527 -4.823 1.00 14.01 N ATOM 1271 CA SER A 73 -6.938 0.566 -4.128 1.00 71.14 C ATOM 1272 C SER A 73 -6.751 0.416 -2.613 1.00 65.41 C ATOM 1273 O SER A 73 -7.384 1.128 -1.825 1.00 44.15 O ATOM 1274 CB SER A 73 -7.866 -0.537 -4.660 1.00 61.05 C ATOM 1275 OG SER A 73 -9.141 -0.484 -4.042 1.00 12.21 O ATOM 0 H SER A 73 -5.546 -0.258 -5.465 1.00 14.01 H new ATOM 0 HA SER A 73 -7.396 1.537 -4.319 1.00 71.14 H new ATOM 0 HB2 SER A 73 -7.978 -0.431 -5.739 1.00 61.05 H new ATOM 0 HB3 SER A 73 -7.414 -1.512 -4.481 1.00 61.05 H new ATOM 0 HG SER A 73 -9.709 -1.197 -4.402 1.00 12.21 H new ATOM 1281 N TYR A 74 -5.875 -0.502 -2.210 1.00 11.31 N ATOM 1282 CA TYR A 74 -5.606 -0.734 -0.793 1.00 34.14 C ATOM 1283 C TYR A 74 -4.989 0.511 -0.173 1.00 22.13 C ATOM 1284 O TYR A 74 -5.390 0.957 0.902 1.00 32.33 O ATOM 1285 CB TYR A 74 -4.650 -1.917 -0.599 1.00 72.42 C ATOM 1286 CG TYR A 74 -5.067 -3.194 -1.305 1.00 74.22 C ATOM 1287 CD1 TYR A 74 -6.408 -3.506 -1.512 1.00 42.01 C ATOM 1288 CD2 TYR A 74 -4.107 -4.092 -1.761 1.00 2.41 C ATOM 1289 CE1 TYR A 74 -6.778 -4.676 -2.154 1.00 42.24 C ATOM 1290 CE2 TYR A 74 -4.470 -5.259 -2.404 1.00 22.44 C ATOM 1291 CZ TYR A 74 -5.805 -5.547 -2.599 1.00 35.21 C ATOM 1292 OH TYR A 74 -6.171 -6.710 -3.239 1.00 64.04 O ATOM 0 H TYR A 74 -5.340 -1.096 -2.844 1.00 11.31 H new ATOM 0 HA TYR A 74 -6.553 -0.964 -0.304 1.00 34.14 H new ATOM 0 HB2 TYR A 74 -3.661 -1.629 -0.954 1.00 72.42 H new ATOM 0 HB3 TYR A 74 -4.559 -2.121 0.468 1.00 72.42 H new ATOM 0 HD1 TYR A 74 -7.172 -2.825 -1.166 1.00 42.01 H new ATOM 0 HD2 TYR A 74 -3.060 -3.873 -1.610 1.00 2.41 H new ATOM 0 HE1 TYR A 74 -7.822 -4.905 -2.305 1.00 42.24 H new ATOM 0 HE2 TYR A 74 -3.711 -5.944 -2.753 1.00 22.44 H new ATOM 0 HH TYR A 74 -5.368 -7.212 -3.490 1.00 64.04 H new ATOM 1302 N ILE A 75 -4.026 1.078 -0.886 1.00 74.44 N ATOM 1303 CA ILE A 75 -3.304 2.250 -0.420 1.00 21.44 C ATOM 1304 C ILE A 75 -4.242 3.449 -0.268 1.00 60.12 C ATOM 1305 O ILE A 75 -4.085 4.255 0.651 1.00 64.24 O ATOM 1306 CB ILE A 75 -2.141 2.584 -1.383 1.00 33.33 C ATOM 1307 CG1 ILE A 75 -1.169 1.400 -1.442 1.00 12.52 C ATOM 1308 CG2 ILE A 75 -1.418 3.848 -0.946 1.00 73.20 C ATOM 1309 CD1 ILE A 75 -0.039 1.579 -2.429 1.00 71.40 C ATOM 0 H ILE A 75 -3.725 0.739 -1.800 1.00 74.44 H new ATOM 0 HA ILE A 75 -2.888 2.025 0.562 1.00 21.44 H new ATOM 0 HB ILE A 75 -2.549 2.763 -2.378 1.00 33.33 H new ATOM 0 HG12 ILE A 75 -0.748 1.239 -0.449 1.00 12.52 H new ATOM 0 HG13 ILE A 75 -1.725 0.499 -1.702 1.00 12.52 H new ATOM 0 HG21 ILE A 75 -0.605 4.060 -1.640 1.00 73.20 H new ATOM 0 HG22 ILE A 75 -2.118 4.684 -0.940 1.00 73.20 H new ATOM 0 HG23 ILE A 75 -1.012 3.707 0.056 1.00 73.20 H new ATOM 0 HD11 ILE A 75 0.603 0.699 -2.410 1.00 71.40 H new ATOM 0 HD12 ILE A 75 -0.448 1.708 -3.431 1.00 71.40 H new ATOM 0 HD13 ILE A 75 0.544 2.459 -2.159 1.00 71.40 H new ATOM 1321 N ARG A 76 -5.236 3.546 -1.149 1.00 12.31 N ATOM 1322 CA ARG A 76 -6.232 4.610 -1.057 1.00 54.03 C ATOM 1323 C ARG A 76 -6.983 4.523 0.262 1.00 13.01 C ATOM 1324 O ARG A 76 -7.126 5.521 0.964 1.00 33.34 O ATOM 1325 CB ARG A 76 -7.243 4.542 -2.204 1.00 33.13 C ATOM 1326 CG ARG A 76 -6.652 4.790 -3.578 1.00 21.41 C ATOM 1327 CD ARG A 76 -7.742 4.832 -4.639 1.00 41.13 C ATOM 1328 NE ARG A 76 -7.192 4.872 -5.986 1.00 35.22 N ATOM 1329 CZ ARG A 76 -7.555 5.748 -6.918 1.00 62.53 C ATOM 1330 NH1 ARG A 76 -8.437 6.696 -6.639 1.00 53.13 N ATOM 1331 NH2 ARG A 76 -7.025 5.678 -8.130 1.00 73.34 N ATOM 0 H ARG A 76 -5.372 2.904 -1.930 1.00 12.31 H new ATOM 0 HA ARG A 76 -5.694 5.556 -1.120 1.00 54.03 H new ATOM 0 HB2 ARG A 76 -7.715 3.560 -2.197 1.00 33.13 H new ATOM 0 HB3 ARG A 76 -8.029 5.275 -2.023 1.00 33.13 H new ATOM 0 HG2 ARG A 76 -6.103 5.732 -3.577 1.00 21.41 H new ATOM 0 HG3 ARG A 76 -5.936 4.004 -3.818 1.00 21.41 H new ATOM 0 HD2 ARG A 76 -8.383 3.956 -4.535 1.00 41.13 H new ATOM 0 HD3 ARG A 76 -8.371 5.708 -4.478 1.00 41.13 H new ATOM 0 HE ARG A 76 -6.481 4.183 -6.231 1.00 35.22 H new ATOM 0 HH11 ARG A 76 -8.842 6.757 -5.705 1.00 53.13 H new ATOM 0 HH12 ARG A 76 -8.711 7.365 -7.358 1.00 53.13 H new ATOM 0 HH21 ARG A 76 -6.340 4.953 -8.346 1.00 73.34 H new ATOM 0 HH22 ARG A 76 -7.302 6.349 -8.847 1.00 73.34 H new ATOM 1345 N ASN A 77 -7.455 3.324 0.596 1.00 43.40 N ATOM 1346 CA ASN A 77 -8.232 3.124 1.816 1.00 44.20 C ATOM 1347 C ASN A 77 -7.355 3.313 3.049 1.00 11.10 C ATOM 1348 O ASN A 77 -7.814 3.812 4.073 1.00 22.41 O ATOM 1349 CB ASN A 77 -8.881 1.738 1.829 1.00 44.01 C ATOM 1350 CG ASN A 77 -9.894 1.577 2.954 1.00 33.33 C ATOM 1351 OD1 ASN A 77 -9.566 1.125 4.049 1.00 34.34 O ATOM 1352 ND2 ASN A 77 -11.136 1.953 2.694 1.00 52.14 N ATOM 0 H ASN A 77 -7.314 2.480 0.041 1.00 43.40 H new ATOM 0 HA ASN A 77 -9.025 3.872 1.837 1.00 44.20 H new ATOM 0 HB2 ASN A 77 -9.374 1.563 0.873 1.00 44.01 H new ATOM 0 HB3 ASN A 77 -8.106 0.979 1.932 1.00 44.01 H new ATOM 0 HD21 ASN A 77 -11.855 1.872 3.413 1.00 52.14 H new ATOM 0 HD22 ASN A 77 -11.375 2.324 1.774 1.00 52.14 H new ATOM 1359 N ALA A 78 -6.086 2.930 2.936 1.00 24.15 N ATOM 1360 CA ALA A 78 -5.129 3.125 4.018 1.00 34.21 C ATOM 1361 C ALA A 78 -4.984 4.608 4.345 1.00 65.04 C ATOM 1362 O ALA A 78 -5.097 5.015 5.504 1.00 63.41 O ATOM 1363 CB ALA A 78 -3.781 2.528 3.643 1.00 54.24 C ATOM 0 H ALA A 78 -5.698 2.483 2.105 1.00 24.15 H new ATOM 0 HA ALA A 78 -5.501 2.614 4.906 1.00 34.21 H new ATOM 0 HB1 ALA A 78 -3.076 2.681 4.460 1.00 54.24 H new ATOM 0 HB2 ALA A 78 -3.895 1.460 3.457 1.00 54.24 H new ATOM 0 HB3 ALA A 78 -3.405 3.015 2.743 1.00 54.24 H new ATOM 1369 N PHE A 79 -4.748 5.412 3.315 1.00 31.14 N ATOM 1370 CA PHE A 79 -4.651 6.855 3.483 1.00 72.01 C ATOM 1371 C PHE A 79 -5.986 7.442 3.924 1.00 61.20 C ATOM 1372 O PHE A 79 -6.028 8.343 4.758 1.00 74.13 O ATOM 1373 CB PHE A 79 -4.200 7.530 2.183 1.00 70.43 C ATOM 1374 CG PHE A 79 -2.724 7.450 1.922 1.00 2.35 C ATOM 1375 CD1 PHE A 79 -1.822 7.957 2.843 1.00 62.43 C ATOM 1376 CD2 PHE A 79 -2.237 6.883 0.754 1.00 44.20 C ATOM 1377 CE1 PHE A 79 -0.464 7.898 2.608 1.00 54.35 C ATOM 1378 CE2 PHE A 79 -0.878 6.824 0.513 1.00 31.10 C ATOM 1379 CZ PHE A 79 0.010 7.331 1.441 1.00 52.22 C ATOM 0 H PHE A 79 -4.621 5.089 2.356 1.00 31.14 H new ATOM 0 HA PHE A 79 -3.907 7.045 4.256 1.00 72.01 H new ATOM 0 HB2 PHE A 79 -4.730 7.072 1.348 1.00 70.43 H new ATOM 0 HB3 PHE A 79 -4.495 8.579 2.211 1.00 70.43 H new ATOM 0 HD1 PHE A 79 -2.186 8.404 3.756 1.00 62.43 H new ATOM 0 HD2 PHE A 79 -2.927 6.484 0.025 1.00 44.20 H new ATOM 0 HE1 PHE A 79 0.228 8.295 3.336 1.00 54.35 H new ATOM 0 HE2 PHE A 79 -0.510 6.381 -0.401 1.00 31.10 H new ATOM 0 HZ PHE A 79 1.073 7.284 1.255 1.00 52.22 H new ATOM 1389 N ASP A 80 -7.074 6.912 3.371 1.00 21.30 N ATOM 1390 CA ASP A 80 -8.413 7.429 3.644 1.00 14.33 C ATOM 1391 C ASP A 80 -8.779 7.239 5.113 1.00 64.14 C ATOM 1392 O ASP A 80 -9.372 8.120 5.741 1.00 44.14 O ATOM 1393 CB ASP A 80 -9.443 6.724 2.756 1.00 42.14 C ATOM 1394 CG ASP A 80 -10.746 7.491 2.644 1.00 63.32 C ATOM 1395 OD1 ASP A 80 -11.643 7.290 3.489 1.00 54.32 O ATOM 1396 OD2 ASP A 80 -10.879 8.293 1.691 1.00 14.30 O ATOM 0 H ASP A 80 -7.054 6.121 2.728 1.00 21.30 H new ATOM 0 HA ASP A 80 -8.418 8.496 3.421 1.00 14.33 H new ATOM 0 HB2 ASP A 80 -9.022 6.584 1.760 1.00 42.14 H new ATOM 0 HB3 ASP A 80 -9.645 5.731 3.159 1.00 42.14 H new ATOM 1401 N ASP A 81 -8.412 6.089 5.659 1.00 4.41 N ATOM 1402 CA ASP A 81 -8.673 5.786 7.061 1.00 73.35 C ATOM 1403 C ASP A 81 -7.887 6.745 7.955 1.00 3.13 C ATOM 1404 O ASP A 81 -8.420 7.304 8.918 1.00 4.45 O ATOM 1405 CB ASP A 81 -8.287 4.334 7.367 1.00 61.45 C ATOM 1406 CG ASP A 81 -8.940 3.802 8.629 1.00 63.03 C ATOM 1407 OD1 ASP A 81 -8.411 4.044 9.735 1.00 23.53 O ATOM 1408 OD2 ASP A 81 -9.985 3.125 8.514 1.00 4.43 O ATOM 0 H ASP A 81 -7.931 5.347 5.151 1.00 4.41 H new ATOM 0 HA ASP A 81 -9.737 5.912 7.261 1.00 73.35 H new ATOM 0 HB2 ASP A 81 -8.570 3.703 6.524 1.00 61.45 H new ATOM 0 HB3 ASP A 81 -7.204 4.265 7.468 1.00 61.45 H new ATOM 1413 N ALA A 82 -6.627 6.968 7.596 1.00 14.24 N ATOM 1414 CA ALA A 82 -5.740 7.831 8.369 1.00 64.12 C ATOM 1415 C ALA A 82 -6.134 9.306 8.260 1.00 34.43 C ATOM 1416 O ALA A 82 -6.149 10.028 9.261 1.00 61.40 O ATOM 1417 CB ALA A 82 -4.302 7.631 7.918 1.00 1.43 C ATOM 0 H ALA A 82 -6.194 6.559 6.768 1.00 14.24 H new ATOM 0 HA ALA A 82 -5.834 7.550 9.418 1.00 64.12 H new ATOM 0 HB1 ALA A 82 -3.645 8.278 8.499 1.00 1.43 H new ATOM 0 HB2 ALA A 82 -4.014 6.591 8.071 1.00 1.43 H new ATOM 0 HB3 ALA A 82 -4.214 7.880 6.861 1.00 1.43 H new ATOM 1423 N ILE A 83 -6.456 9.758 7.051 1.00 12.13 N ATOM 1424 CA ILE A 83 -6.782 11.167 6.821 1.00 73.35 C ATOM 1425 C ILE A 83 -8.070 11.551 7.541 1.00 0.43 C ATOM 1426 O ILE A 83 -8.219 12.682 8.005 1.00 15.02 O ATOM 1427 CB ILE A 83 -6.890 11.508 5.313 1.00 74.44 C ATOM 1428 CG1 ILE A 83 -6.974 13.026 5.112 1.00 12.41 C ATOM 1429 CG2 ILE A 83 -8.090 10.821 4.673 1.00 32.25 C ATOM 1430 CD1 ILE A 83 -7.003 13.444 3.657 1.00 54.43 C ATOM 0 H ILE A 83 -6.499 9.173 6.216 1.00 12.13 H new ATOM 0 HA ILE A 83 -5.958 11.751 7.230 1.00 73.35 H new ATOM 0 HB ILE A 83 -5.991 11.137 4.822 1.00 74.44 H new ATOM 0 HG12 ILE A 83 -7.870 13.401 5.607 1.00 12.41 H new ATOM 0 HG13 ILE A 83 -6.120 13.496 5.600 1.00 12.41 H new ATOM 0 HG21 ILE A 83 -8.137 11.081 3.615 1.00 32.25 H new ATOM 0 HG22 ILE A 83 -7.989 9.741 4.777 1.00 32.25 H new ATOM 0 HG23 ILE A 83 -9.004 11.149 5.168 1.00 32.25 H new ATOM 0 HD11 ILE A 83 -7.063 14.530 3.592 1.00 54.43 H new ATOM 0 HD12 ILE A 83 -6.095 13.100 3.161 1.00 54.43 H new ATOM 0 HD13 ILE A 83 -7.872 13.003 3.169 1.00 54.43 H new ATOM 1442 N HIS A 84 -8.985 10.593 7.663 1.00 33.42 N ATOM 1443 CA HIS A 84 -10.248 10.818 8.357 1.00 20.03 C ATOM 1444 C HIS A 84 -9.993 11.093 9.841 1.00 41.12 C ATOM 1445 O HIS A 84 -10.822 11.685 10.529 1.00 33.21 O ATOM 1446 CB HIS A 84 -11.158 9.597 8.199 1.00 31.03 C ATOM 1447 CG HIS A 84 -12.620 9.905 8.322 1.00 43.34 C ATOM 1448 ND1 HIS A 84 -13.311 9.840 9.511 1.00 33.50 N ATOM 1449 CD2 HIS A 84 -13.525 10.267 7.384 1.00 64.13 C ATOM 1450 CE1 HIS A 84 -14.577 10.147 9.299 1.00 55.34 C ATOM 1451 NE2 HIS A 84 -14.734 10.410 8.016 1.00 2.52 N ATOM 0 H HIS A 84 -8.874 9.651 7.289 1.00 33.42 H new ATOM 0 HA HIS A 84 -10.740 11.686 7.918 1.00 20.03 H new ATOM 0 HB2 HIS A 84 -10.974 9.143 7.225 1.00 31.03 H new ATOM 0 HB3 HIS A 84 -10.889 8.856 8.952 1.00 31.03 H new ATOM 0 HD2 HIS A 84 -13.331 10.416 6.332 1.00 64.13 H new ATOM 0 HE1 HIS A 84 -15.353 10.178 10.049 1.00 55.34 H new ATOM 0 HE2 HIS A 84 -15.611 10.676 7.567 1.00 2.52 H new ATOM 1460 N GLU A 85 -8.831 10.654 10.317 1.00 75.41 N ATOM 1461 CA GLU A 85 -8.417 10.880 11.697 1.00 54.43 C ATOM 1462 C GLU A 85 -7.550 12.128 11.811 1.00 62.14 C ATOM 1463 O GLU A 85 -7.260 12.594 12.912 1.00 61.13 O ATOM 1464 CB GLU A 85 -7.633 9.674 12.216 1.00 41.11 C ATOM 1465 CG GLU A 85 -8.510 8.535 12.688 1.00 42.23 C ATOM 1466 CD GLU A 85 -9.276 8.891 13.939 1.00 43.34 C ATOM 1467 OE1 GLU A 85 -8.737 8.684 15.046 1.00 21.54 O ATOM 1468 OE2 GLU A 85 -10.416 9.390 13.825 1.00 61.02 O ATOM 0 H GLU A 85 -8.153 10.134 9.759 1.00 75.41 H new ATOM 0 HA GLU A 85 -9.316 11.021 12.297 1.00 54.43 H new ATOM 0 HB2 GLU A 85 -6.976 9.311 11.425 1.00 41.11 H new ATOM 0 HB3 GLU A 85 -6.994 9.994 13.039 1.00 41.11 H new ATOM 0 HG2 GLU A 85 -9.211 8.266 11.898 1.00 42.23 H new ATOM 0 HG3 GLU A 85 -7.893 7.657 12.879 1.00 42.23 H new ATOM 1475 N GLY A 86 -7.144 12.667 10.671 1.00 52.12 N ATOM 1476 CA GLY A 86 -6.212 13.778 10.670 1.00 55.54 C ATOM 1477 C GLY A 86 -4.807 13.306 10.962 1.00 33.00 C ATOM 1478 O GLY A 86 -3.946 14.077 11.383 1.00 2.42 O ATOM 0 H GLY A 86 -7.442 12.356 9.747 1.00 52.12 H new ATOM 0 HA2 GLY A 86 -6.238 14.278 9.702 1.00 55.54 H new ATOM 0 HA3 GLY A 86 -6.515 14.512 11.416 1.00 55.54 H new ATOM 1482 N TYR A 87 -4.588 12.022 10.726 1.00 23.12 N ATOM 1483 CA TYR A 87 -3.319 11.383 11.025 1.00 74.33 C ATOM 1484 C TYR A 87 -2.345 11.596 9.871 1.00 33.10 C ATOM 1485 O TYR A 87 -1.127 11.580 10.051 1.00 72.41 O ATOM 1486 CB TYR A 87 -3.561 9.892 11.268 1.00 63.33 C ATOM 1487 CG TYR A 87 -2.438 9.180 11.978 1.00 74.41 C ATOM 1488 CD1 TYR A 87 -1.984 9.632 13.208 1.00 54.41 C ATOM 1489 CD2 TYR A 87 -1.845 8.053 11.431 1.00 44.30 C ATOM 1490 CE1 TYR A 87 -0.968 8.981 13.874 1.00 75.23 C ATOM 1491 CE2 TYR A 87 -0.828 7.391 12.092 1.00 53.22 C ATOM 1492 CZ TYR A 87 -0.393 7.862 13.314 1.00 62.21 C ATOM 1493 OH TYR A 87 0.613 7.208 13.984 1.00 11.23 O ATOM 0 H TYR A 87 -5.285 11.396 10.322 1.00 23.12 H new ATOM 0 HA TYR A 87 -2.880 11.823 11.921 1.00 74.33 H new ATOM 0 HB2 TYR A 87 -4.474 9.776 11.853 1.00 63.33 H new ATOM 0 HB3 TYR A 87 -3.733 9.404 10.308 1.00 63.33 H new ATOM 0 HD1 TYR A 87 -2.434 10.508 13.651 1.00 54.41 H new ATOM 0 HD2 TYR A 87 -2.183 7.686 10.473 1.00 44.30 H new ATOM 0 HE1 TYR A 87 -0.624 9.347 14.830 1.00 75.23 H new ATOM 0 HE2 TYR A 87 -0.377 6.512 11.656 1.00 53.22 H new ATOM 0 HH TYR A 87 0.747 6.321 13.589 1.00 11.23 H new ATOM 1503 N VAL A 88 -2.899 11.813 8.687 1.00 0.11 N ATOM 1504 CA VAL A 88 -2.104 12.066 7.498 1.00 31.04 C ATOM 1505 C VAL A 88 -2.695 13.252 6.739 1.00 41.55 C ATOM 1506 O VAL A 88 -3.831 13.658 7.001 1.00 51.15 O ATOM 1507 CB VAL A 88 -2.043 10.814 6.587 1.00 43.52 C ATOM 1508 CG1 VAL A 88 -3.374 10.565 5.901 1.00 42.11 C ATOM 1509 CG2 VAL A 88 -0.924 10.930 5.566 1.00 62.23 C ATOM 0 H VAL A 88 -3.906 11.818 8.526 1.00 0.11 H new ATOM 0 HA VAL A 88 -1.084 12.300 7.802 1.00 31.04 H new ATOM 0 HB VAL A 88 -1.829 9.957 7.225 1.00 43.52 H new ATOM 0 HG11 VAL A 88 -3.298 9.680 5.269 1.00 42.11 H new ATOM 0 HG12 VAL A 88 -4.147 10.409 6.653 1.00 42.11 H new ATOM 0 HG13 VAL A 88 -3.634 11.427 5.287 1.00 42.11 H new ATOM 0 HG21 VAL A 88 -0.907 10.037 4.942 1.00 62.23 H new ATOM 0 HG22 VAL A 88 -1.092 11.807 4.940 1.00 62.23 H new ATOM 0 HG23 VAL A 88 0.031 11.030 6.082 1.00 62.23 H new ATOM 1519 N ILE A 89 -1.925 13.818 5.826 1.00 44.23 N ATOM 1520 CA ILE A 89 -2.377 14.959 5.050 1.00 5.04 C ATOM 1521 C ILE A 89 -3.067 14.519 3.768 1.00 41.25 C ATOM 1522 O ILE A 89 -3.413 13.348 3.604 1.00 4.24 O ATOM 1523 CB ILE A 89 -1.210 15.904 4.697 1.00 21.04 C ATOM 1524 CG1 ILE A 89 -0.010 15.107 4.165 1.00 44.13 C ATOM 1525 CG2 ILE A 89 -0.827 16.746 5.906 1.00 52.54 C ATOM 1526 CD1 ILE A 89 1.142 15.974 3.695 1.00 23.35 C ATOM 0 H ILE A 89 -0.980 13.504 5.604 1.00 44.23 H new ATOM 0 HA ILE A 89 -3.091 15.496 5.674 1.00 5.04 H new ATOM 0 HB ILE A 89 -1.533 16.580 3.906 1.00 21.04 H new ATOM 0 HG12 ILE A 89 0.347 14.439 4.949 1.00 44.13 H new ATOM 0 HG13 ILE A 89 -0.341 14.479 3.338 1.00 44.13 H new ATOM 0 HG21 ILE A 89 -0.002 17.408 5.642 1.00 52.54 H new ATOM 0 HG22 ILE A 89 -1.684 17.342 6.221 1.00 52.54 H new ATOM 0 HG23 ILE A 89 -0.520 16.092 6.722 1.00 52.54 H new ATOM 0 HD11 ILE A 89 1.951 15.339 3.334 1.00 23.35 H new ATOM 0 HD12 ILE A 89 0.803 16.624 2.888 1.00 23.35 H new ATOM 0 HD13 ILE A 89 1.501 16.583 4.525 1.00 23.35 H new ATOM 1538 N LYS A 90 -3.288 15.486 2.884 1.00 31.15 N ATOM 1539 CA LYS A 90 -3.887 15.237 1.581 1.00 30.53 C ATOM 1540 C LYS A 90 -3.156 14.124 0.839 1.00 65.13 C ATOM 1541 O LYS A 90 -1.934 13.986 0.933 1.00 72.22 O ATOM 1542 CB LYS A 90 -3.903 16.532 0.770 1.00 14.13 C ATOM 1543 CG LYS A 90 -4.865 17.564 1.338 1.00 44.11 C ATOM 1544 CD LYS A 90 -4.615 18.950 0.776 1.00 54.21 C ATOM 1545 CE LYS A 90 -5.688 19.932 1.224 1.00 1.03 C ATOM 1546 NZ LYS A 90 -5.919 19.898 2.694 1.00 63.24 N ATOM 0 H LYS A 90 -3.056 16.465 3.052 1.00 31.15 H new ATOM 0 HA LYS A 90 -4.914 14.901 1.724 1.00 30.53 H new ATOM 0 HB2 LYS A 90 -2.898 16.953 0.744 1.00 14.13 H new ATOM 0 HB3 LYS A 90 -4.182 16.308 -0.260 1.00 14.13 H new ATOM 0 HG2 LYS A 90 -5.889 17.264 1.117 1.00 44.11 H new ATOM 0 HG3 LYS A 90 -4.767 17.591 2.423 1.00 44.11 H new ATOM 0 HD2 LYS A 90 -3.637 19.305 1.100 1.00 54.21 H new ATOM 0 HD3 LYS A 90 -4.593 18.904 -0.313 1.00 54.21 H new ATOM 0 HE2 LYS A 90 -5.398 20.940 0.929 1.00 1.03 H new ATOM 0 HE3 LYS A 90 -6.621 19.705 0.708 1.00 1.03 H new ATOM 0 HZ1 LYS A 90 -6.487 20.723 2.975 1.00 63.24 H new ATOM 0 HZ2 LYS A 90 -6.427 19.026 2.946 1.00 63.24 H new ATOM 0 HZ3 LYS A 90 -5.005 19.922 3.190 1.00 63.24 H new ATOM 1560 N ASN A 91 -3.923 13.343 0.098 1.00 65.22 N ATOM 1561 CA ASN A 91 -3.448 12.084 -0.458 1.00 62.51 C ATOM 1562 C ASN A 91 -2.487 12.296 -1.633 1.00 73.05 C ATOM 1563 O ASN A 91 -2.853 12.903 -2.641 1.00 24.43 O ATOM 1564 CB ASN A 91 -4.651 11.248 -0.906 1.00 14.34 C ATOM 1565 CG ASN A 91 -4.342 9.769 -0.995 1.00 32.21 C ATOM 1566 OD1 ASN A 91 -3.200 9.371 -1.206 1.00 65.13 O ATOM 1567 ND2 ASN A 91 -5.361 8.939 -0.843 1.00 5.42 N ATOM 0 H ASN A 91 -4.891 13.562 -0.136 1.00 65.22 H new ATOM 0 HA ASN A 91 -2.892 11.559 0.319 1.00 62.51 H new ATOM 0 HB2 ASN A 91 -5.473 11.401 -0.207 1.00 14.34 H new ATOM 0 HB3 ASN A 91 -4.990 11.602 -1.879 1.00 14.34 H new ATOM 0 HD21 ASN A 91 -5.211 7.932 -0.900 1.00 5.42 H new ATOM 0 HD22 ASN A 91 -6.296 9.306 -0.669 1.00 5.42 H new ATOM 1574 N PRO A 92 -1.244 11.781 -1.513 1.00 31.05 N ATOM 1575 CA PRO A 92 -0.247 11.810 -2.597 1.00 13.42 C ATOM 1576 C PRO A 92 -0.674 10.951 -3.788 1.00 54.50 C ATOM 1577 O PRO A 92 -0.136 11.079 -4.890 1.00 13.32 O ATOM 1578 CB PRO A 92 1.011 11.224 -1.944 1.00 51.22 C ATOM 1579 CG PRO A 92 0.509 10.421 -0.796 1.00 12.43 C ATOM 1580 CD PRO A 92 -0.709 11.142 -0.295 1.00 62.21 C ATOM 0 HA PRO A 92 -0.105 12.814 -2.996 1.00 13.42 H new ATOM 0 HB2 PRO A 92 1.568 10.604 -2.646 1.00 51.22 H new ATOM 0 HB3 PRO A 92 1.686 12.012 -1.610 1.00 51.22 H new ATOM 0 HG2 PRO A 92 0.262 9.406 -1.107 1.00 12.43 H new ATOM 0 HG3 PRO A 92 1.265 10.340 -0.015 1.00 12.43 H new ATOM 0 HD2 PRO A 92 -1.429 10.455 0.150 1.00 62.21 H new ATOM 0 HD3 PRO A 92 -0.456 11.878 0.469 1.00 62.21 H new ATOM 1588 N THR A 93 -1.666 10.090 -3.554 1.00 10.02 N ATOM 1589 CA THR A 93 -2.230 9.228 -4.589 1.00 41.31 C ATOM 1590 C THR A 93 -2.984 10.065 -5.635 1.00 43.42 C ATOM 1591 O THR A 93 -3.470 9.554 -6.646 1.00 10.13 O ATOM 1592 CB THR A 93 -3.172 8.182 -3.949 1.00 32.31 C ATOM 1593 OG1 THR A 93 -2.485 7.515 -2.881 1.00 62.31 O ATOM 1594 CG2 THR A 93 -3.648 7.143 -4.950 1.00 31.44 C ATOM 0 H THR A 93 -2.100 9.972 -2.639 1.00 10.02 H new ATOM 0 HA THR A 93 -1.417 8.706 -5.093 1.00 41.31 H new ATOM 0 HB THR A 93 -4.047 8.716 -3.578 1.00 32.31 H new ATOM 0 HG1 THR A 93 -2.423 8.114 -2.108 1.00 62.31 H new ATOM 0 HG21 THR A 93 -4.306 6.432 -4.451 1.00 31.44 H new ATOM 0 HG22 THR A 93 -4.191 7.636 -5.756 1.00 31.44 H new ATOM 0 HG23 THR A 93 -2.789 6.614 -5.362 1.00 31.44 H new ATOM 1602 N TYR A 94 -3.062 11.364 -5.377 1.00 31.10 N ATOM 1603 CA TYR A 94 -3.611 12.321 -6.324 1.00 74.52 C ATOM 1604 C TYR A 94 -2.900 12.232 -7.676 1.00 13.10 C ATOM 1605 O TYR A 94 -3.521 12.379 -8.728 1.00 13.11 O ATOM 1606 CB TYR A 94 -3.482 13.734 -5.742 1.00 52.43 C ATOM 1607 CG TYR A 94 -3.576 14.848 -6.760 1.00 14.41 C ATOM 1608 CD1 TYR A 94 -4.804 15.352 -7.167 1.00 21.02 C ATOM 1609 CD2 TYR A 94 -2.424 15.397 -7.314 1.00 35.04 C ATOM 1610 CE1 TYR A 94 -4.880 16.370 -8.098 1.00 23.13 C ATOM 1611 CE2 TYR A 94 -2.495 16.413 -8.242 1.00 21.33 C ATOM 1612 CZ TYR A 94 -3.722 16.895 -8.630 1.00 14.44 C ATOM 1613 OH TYR A 94 -3.790 17.906 -9.560 1.00 72.30 O ATOM 0 H TYR A 94 -2.745 11.783 -4.503 1.00 31.10 H new ATOM 0 HA TYR A 94 -4.663 12.088 -6.491 1.00 74.52 H new ATOM 0 HB2 TYR A 94 -4.262 13.877 -4.994 1.00 52.43 H new ATOM 0 HB3 TYR A 94 -2.526 13.813 -5.224 1.00 52.43 H new ATOM 0 HD1 TYR A 94 -5.712 14.943 -6.750 1.00 21.02 H new ATOM 0 HD2 TYR A 94 -1.458 15.021 -7.012 1.00 35.04 H new ATOM 0 HE1 TYR A 94 -5.842 16.752 -8.407 1.00 23.13 H new ATOM 0 HE2 TYR A 94 -1.591 16.828 -8.662 1.00 21.33 H new ATOM 0 HH TYR A 94 -2.884 18.162 -9.832 1.00 72.30 H new ATOM 1623 N LYS A 95 -1.599 11.977 -7.640 1.00 11.31 N ATOM 1624 CA LYS A 95 -0.788 11.941 -8.851 1.00 14.40 C ATOM 1625 C LYS A 95 -0.416 10.496 -9.195 1.00 14.33 C ATOM 1626 O LYS A 95 0.595 10.241 -9.847 1.00 62.01 O ATOM 1627 CB LYS A 95 0.474 12.790 -8.639 1.00 1.50 C ATOM 1628 CG LYS A 95 1.233 13.163 -9.912 1.00 5.51 C ATOM 1629 CD LYS A 95 0.455 14.140 -10.786 1.00 44.13 C ATOM 1630 CE LYS A 95 -0.517 13.434 -11.719 1.00 14.44 C ATOM 1631 NZ LYS A 95 0.188 12.649 -12.768 1.00 32.03 N ATOM 0 H LYS A 95 -1.080 11.791 -6.782 1.00 11.31 H new ATOM 0 HA LYS A 95 -1.358 12.351 -9.685 1.00 14.40 H new ATOM 0 HB2 LYS A 95 0.192 13.707 -8.122 1.00 1.50 H new ATOM 0 HB3 LYS A 95 1.150 12.247 -7.979 1.00 1.50 H new ATOM 0 HG2 LYS A 95 2.193 13.604 -9.644 1.00 5.51 H new ATOM 0 HG3 LYS A 95 1.446 12.259 -10.483 1.00 5.51 H new ATOM 0 HD2 LYS A 95 -0.095 14.834 -10.150 1.00 44.13 H new ATOM 0 HD3 LYS A 95 1.154 14.733 -11.375 1.00 44.13 H new ATOM 0 HE2 LYS A 95 -1.159 12.770 -11.139 1.00 14.44 H new ATOM 0 HE3 LYS A 95 -1.166 14.171 -12.192 1.00 14.44 H new ATOM 0 HZ1 LYS A 95 0.097 13.133 -13.684 1.00 32.03 H new ATOM 0 HZ2 LYS A 95 1.194 12.564 -12.520 1.00 32.03 H new ATOM 0 HZ3 LYS A 95 -0.234 11.701 -12.834 1.00 32.03 H new ATOM 1645 N ALA A 96 -1.253 9.558 -8.767 1.00 25.31 N ATOM 1646 CA ALA A 96 -0.992 8.138 -8.974 1.00 45.01 C ATOM 1647 C ALA A 96 -1.075 7.755 -10.446 1.00 32.32 C ATOM 1648 O ALA A 96 -2.158 7.713 -11.033 1.00 43.32 O ATOM 1649 CB ALA A 96 -1.964 7.303 -8.160 1.00 23.01 C ATOM 0 H ALA A 96 -2.122 9.757 -8.272 1.00 25.31 H new ATOM 0 HA ALA A 96 0.025 7.938 -8.638 1.00 45.01 H new ATOM 0 HB1 ALA A 96 -1.759 6.245 -8.323 1.00 23.01 H new ATOM 0 HB2 ALA A 96 -1.847 7.537 -7.102 1.00 23.01 H new ATOM 0 HB3 ALA A 96 -2.985 7.527 -8.470 1.00 23.01 H new ATOM 1655 N GLU A 97 0.076 7.489 -11.040 1.00 70.31 N ATOM 1656 CA GLU A 97 0.140 7.017 -12.411 1.00 73.13 C ATOM 1657 C GLU A 97 0.414 5.519 -12.445 1.00 2.12 C ATOM 1658 O GLU A 97 1.490 5.069 -12.042 1.00 15.13 O ATOM 1659 CB GLU A 97 1.229 7.758 -13.185 1.00 33.13 C ATOM 1660 CG GLU A 97 0.866 9.184 -13.554 1.00 61.10 C ATOM 1661 CD GLU A 97 1.973 9.884 -14.312 1.00 3.21 C ATOM 1662 OE1 GLU A 97 2.542 9.275 -15.248 1.00 23.44 O ATOM 1663 OE2 GLU A 97 2.288 11.039 -13.971 1.00 71.43 O ATOM 0 H GLU A 97 0.985 7.593 -10.589 1.00 70.31 H new ATOM 0 HA GLU A 97 -0.823 7.214 -12.883 1.00 73.13 H new ATOM 0 HB2 GLU A 97 2.140 7.770 -12.587 1.00 33.13 H new ATOM 0 HB3 GLU A 97 1.453 7.204 -14.097 1.00 33.13 H new ATOM 0 HG2 GLU A 97 -0.040 9.180 -14.161 1.00 61.10 H new ATOM 0 HG3 GLU A 97 0.640 9.745 -12.647 1.00 61.10 H new ATOM 1670 N LEU A 98 -0.547 4.755 -12.937 1.00 53.52 N ATOM 1671 CA LEU A 98 -0.409 3.310 -13.005 1.00 24.30 C ATOM 1672 C LEU A 98 0.246 2.918 -14.318 1.00 43.51 C ATOM 1673 O LEU A 98 -0.427 2.770 -15.335 1.00 52.25 O ATOM 1674 CB LEU A 98 -1.775 2.624 -12.890 1.00 34.53 C ATOM 1675 CG LEU A 98 -2.583 2.975 -11.640 1.00 4.24 C ATOM 1676 CD1 LEU A 98 -3.920 2.249 -11.646 1.00 72.20 C ATOM 1677 CD2 LEU A 98 -1.802 2.633 -10.383 1.00 2.52 C ATOM 0 H LEU A 98 -1.433 5.112 -13.296 1.00 53.52 H new ATOM 0 HA LEU A 98 0.214 2.986 -12.171 1.00 24.30 H new ATOM 0 HB2 LEU A 98 -2.367 2.881 -13.768 1.00 34.53 H new ATOM 0 HB3 LEU A 98 -1.624 1.545 -12.913 1.00 34.53 H new ATOM 0 HG LEU A 98 -2.772 4.049 -11.647 1.00 4.24 H new ATOM 0 HD11 LEU A 98 -4.481 2.511 -10.749 1.00 72.20 H new ATOM 0 HD12 LEU A 98 -4.489 2.542 -12.528 1.00 72.20 H new ATOM 0 HD13 LEU A 98 -3.749 1.173 -11.665 1.00 72.20 H new ATOM 0 HD21 LEU A 98 -2.395 2.890 -9.505 1.00 2.52 H new ATOM 0 HD22 LEU A 98 -1.581 1.566 -10.371 1.00 2.52 H new ATOM 0 HD23 LEU A 98 -0.869 3.197 -10.369 1.00 2.52 H new ATOM 1689 N HIS A 99 1.562 2.782 -14.306 1.00 73.34 N ATOM 1690 CA HIS A 99 2.288 2.428 -15.518 1.00 55.20 C ATOM 1691 C HIS A 99 2.615 0.945 -15.539 1.00 53.51 C ATOM 1692 O HIS A 99 3.706 0.527 -15.152 1.00 22.43 O ATOM 1693 CB HIS A 99 3.569 3.255 -15.669 1.00 52.24 C ATOM 1694 CG HIS A 99 3.320 4.675 -16.070 1.00 52.20 C ATOM 1695 ND1 HIS A 99 3.442 5.128 -17.366 1.00 52.30 N ATOM 1696 CD2 HIS A 99 2.950 5.746 -15.336 1.00 72.24 C ATOM 1697 CE1 HIS A 99 3.157 6.414 -17.409 1.00 23.21 C ATOM 1698 NE2 HIS A 99 2.854 6.814 -16.191 1.00 52.21 N ATOM 0 H HIS A 99 2.146 2.910 -13.480 1.00 73.34 H new ATOM 0 HA HIS A 99 1.639 2.655 -16.363 1.00 55.20 H new ATOM 0 HB2 HIS A 99 4.113 3.243 -14.725 1.00 52.24 H new ATOM 0 HB3 HIS A 99 4.211 2.783 -16.413 1.00 52.24 H new ATOM 0 HD2 HIS A 99 2.764 5.759 -14.272 1.00 72.24 H new ATOM 0 HE1 HIS A 99 3.170 7.035 -18.293 1.00 23.21 H new ATOM 0 HE2 HIS A 99 2.591 7.763 -15.927 1.00 52.21 H new ATOM 1707 N ALA A 100 1.645 0.151 -15.962 1.00 41.13 N ATOM 1708 CA ALA A 100 1.850 -1.273 -16.137 1.00 4.10 C ATOM 1709 C ALA A 100 2.321 -1.539 -17.556 1.00 74.33 C ATOM 1710 O ALA A 100 1.535 -1.491 -18.503 1.00 45.41 O ATOM 1711 CB ALA A 100 0.572 -2.042 -15.835 1.00 73.12 C ATOM 0 H ALA A 100 0.705 0.473 -16.191 1.00 41.13 H new ATOM 0 HA ALA A 100 2.613 -1.616 -15.438 1.00 4.10 H new ATOM 0 HB1 ALA A 100 0.748 -3.109 -15.973 1.00 73.12 H new ATOM 0 HB2 ALA A 100 0.269 -1.854 -14.805 1.00 73.12 H new ATOM 0 HB3 ALA A 100 -0.218 -1.715 -16.511 1.00 73.12 H new ATOM 1717 N SER A 101 3.610 -1.784 -17.707 1.00 34.22 N ATOM 1718 CA SER A 101 4.192 -1.968 -19.024 1.00 65.33 C ATOM 1719 C SER A 101 4.240 -3.450 -19.382 1.00 74.22 C ATOM 1720 O SER A 101 4.845 -3.843 -20.383 1.00 74.42 O ATOM 1721 CB SER A 101 5.594 -1.354 -19.066 1.00 24.32 C ATOM 1722 OG SER A 101 6.105 -1.306 -20.389 1.00 12.14 O ATOM 0 H SER A 101 4.273 -1.860 -16.935 1.00 34.22 H new ATOM 0 HA SER A 101 3.568 -1.461 -19.761 1.00 65.33 H new ATOM 0 HB2 SER A 101 5.563 -0.347 -18.651 1.00 24.32 H new ATOM 0 HB3 SER A 101 6.266 -1.938 -18.437 1.00 24.32 H new ATOM 0 HG SER A 101 5.803 -2.096 -20.885 1.00 12.14 H new